A0A087WTW4_HUMAN Loading...

NBPF member 14

AlphaFold DB , UniProt , Accession A0A087WTW4, Species HUMAN (Homo sapiens, Human), Gene NBPF14, Length 921 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
1M66.7Low77.6Confident191 Ų191141.5 Ų141.594%0.94164%0.639SS**  0-91.60-66.5-156.1-93.300111R3 N4 E5M1-R3 VanDerWaalsContact C-N 3.29Å; M1-R3 PolarHBondContact O-N 3.05Å; M1-N4 PolarHBondContact N-OD1 3.47Å; M1-N4 VanDerWaalsContact N-OD1 3.14Å; M1-N4 WeakPolarHBondContact O-CA 3.2Å; M1-N4 WeakPolarHBondContact O-CB 3.28Å; M1-N4 PolarHBondContact O-N 3.13Å; M1-N4 PolarHBondContact O-OD1 2.63Å; M1-E5 PolarHBondContact O-N 2.87Å
2L68.7Low78.7Confident143 Ų143139 Ų13975%0.74963%0.626SS**Hα-helixtrans-47.8-37.4-171.6-70.5170.9000116.7R6L2-R6 PolarHBondContact O-N 2.8Å
3R70.9Confident79.6Confident205 Ų205136.1 Ų136.177%0.77462%0.619SS**Hα-helixtrans-69.6-43.4176.4-169.6178.3-74.1-154.5-0.5112.1M1 E5 R6 Q7M1-R3 VanDerWaalsContact C-N 3.29Å; M1-R3 PolarHBondContact O-N 3.05Å; R3-E5 VanDerWaalsContact C-N 3.35Å; R3-R6 PolarHBondContact O-N 3.22Å; R3-Q7 PolarHBondContact O-N 2.99Å
4N75.5Confident80.3Confident104 Ų104130.6 Ų130.656%0.55661%0.61SS**Hα-helixtrans-63.8-39.3175.7-4561.8000111.4M1 R6 Q7 F8M1-N4 PolarHBondContact N-OD1 3.47Å; M1-N4 VanDerWaalsContact N-OD1 3.14Å; M1-N4 WeakPolarHBondContact O-CA 3.2Å; M1-N4 WeakPolarHBondContact O-CB 3.28Å; M1-N4 PolarHBondContact O-N 3.13Å; M1-N4 PolarHBondContact O-OD1 2.63Å; N4-R6 VanDerWaalsContact C-N 3.31Å; N4-R6 PolarHBondContact O-N 3.36Å; N4-Q7 PolarHBondContact O-N 3.34Å; N4-F8 WeakPolarHBondContact O-CB 3.19Å; N4-F8 PolarHBondContact O-N 3.06Å
5E77.3Confident81.1Confident84 Ų84129.8 Ų129.839%0.39361%0.606SS.*Hα-helixtrans-60.4-37.5174.6-89.3-166.981.800113.1M1 R3 K9M1-E5 PolarHBondContact O-N 2.87Å; R3-E5 VanDerWaalsContact C-N 3.35Å; E5-K9 WeakPolarHBondContact O-CB 3.46Å; E5-K9 VanDerWaalsContact O-CD 3.28Å; E5-K9 WeakPolarHBondContact O-CD 3.44Å; E5-K9 WeakPolarHBondContact O-CG 3.36Å; E5-K9 PolarHBondContact O-N 2.73Å; E5-K9 IonicContact OE1-NZ 3.16Å; E5-K9 PolarHBondContact OE1-NZ 3.29Å
6R77.3Confident81.8Confident201 Ų201127.9 Ų127.976%0.75860%0.597SS**Hα-helixtrans-65.2-48.4173.7-91.4-168.2171.9-160.9-2.4110.9L2 R3 N4 F8 K9 E10L2-R6 PolarHBondContact O-N 2.8Å; R3-R6 PolarHBondContact O-N 3.22Å; N4-R6 VanDerWaalsContact C-N 3.31Å; N4-R6 PolarHBondContact O-N 3.36Å; R6-F8 PolarHBondContact O-N 2.69Å; R6-K9 PolarHBondContact O-N 3.18Å; R6-K9 VanDerWaalsContact O-N 3.13Å; R6-E10 WeakPolarHBondContact O-CB 3.48Å; R6-E10 PolarHBondContact O-N 2.98Å
7Q75.6Confident82.4Confident113 Ų113127.9 Ų127.953%0.52860%0.601SS.*Hα-helixtrans-59.7-44.4-179.9-66.9175.6-78.900111.8R3 N4 K9 E10 E11R3-Q7 PolarHBondContact O-N 2.99Å; N4-Q7 PolarHBondContact O-N 3.34Å; Q7-K9 VanDerWaalsContact C-N 3.33Å; Q7-K9 PolarHBondContact O-N 2.88Å; Q7-E10 PolarHBondContact O-N 3.14Å; Q7-E11 VanDerWaalsContact O-CB 3.29Å; Q7-E11 WeakPolarHBondContact O-CB 3.27Å; Q7-E11 PolarHBondContact O-N 3.21Å
8F81.9Confident83Confident135 Ų135128 Ų12859%0.59260%0.599SS**Hα-helixtrans-62.7-35.4175.6-180-108000113.4N4 R6 K12N4-F8 WeakPolarHBondContact O-CB 3.19Å; N4-F8 PolarHBondContact O-N 3.06Å; R6-F8 PolarHBondContact O-N 2.69Å; F8-K12 VanDerWaalsContact O-CB 3.31Å; F8-K12 WeakPolarHBondContact O-CB 3.35Å; F8-K12 PolarHBondContact O-N 3.25Å; F8-K12 VanDerWaalsContact O-N 3.14Å
9K86Confident83.5Confident113 Ų113126.9 Ų126.949%0.49159%0.594SS.*Hα-helixtrans-73.2-34.5175.8-70.2164.7-164.7170.60111.8E5 R6 Q7 L13E5-K9 WeakPolarHBondContact O-CB 3.46Å; E5-K9 VanDerWaalsContact O-CD 3.28Å; E5-K9 WeakPolarHBondContact O-CD 3.44Å; E5-K9 WeakPolarHBondContact O-CG 3.36Å; E5-K9 PolarHBondContact O-N 2.73Å; E5-K9 IonicContact OE1-NZ 3.16Å; E5-K9 PolarHBondContact OE1-NZ 3.29Å; R6-K9 PolarHBondContact O-N 3.18Å; R6-K9 VanDerWaalsContact O-N 3.13Å; Q7-K9 VanDerWaalsContact C-N 3.33Å; Q7-K9 PolarHBondContact O-N 2.88Å; K9-L13 WeakPolarHBondContact O-CD1 3.49Å; K9-L13 VanDerWaalsContact O-CG 3.27Å; K9-L13 WeakPolarHBondContact O-CG 3.31Å; K9-L13 PolarHBondContact O-N 3.42Å
10E86Confident83.9Confident137 Ų137122.9 Ų122.964%0.6458%0.583SS**Hα-helixtrans-71.9-44.4177.3-170.7166.6-159.900111.8R6 Q7 L13 A14R6-E10 WeakPolarHBondContact O-CB 3.48Å; R6-E10 PolarHBondContact O-N 2.98Å; Q7-E10 PolarHBondContact O-N 3.14Å; E10-L13 PolarHBondContact O-N 3.13Å; E10-A14 PolarHBondContact O-N 2.92Å
11E87.6Confident84.3Confident130 Ų130122.8 Ų122.861%0.60758%0.582SS**Hα-helixtrans-59.9-47.5173.6-175.2168.7-142.100111.7Q7 L13 A14 E15Q7-E11 VanDerWaalsContact O-CB 3.29Å; Q7-E11 WeakPolarHBondContact O-CB 3.27Å; Q7-E11 PolarHBondContact O-N 3.21Å; E11-L13 VanDerWaalsContact C-N 3.29Å; E11-L13 PolarHBondContact O-N 3.41Å; E11-A14 WeakPolarHBondContact O-CB 3.36Å; E11-A14 PolarHBondContact O-N 3.47Å; E11-A14 VanDerWaalsContact O-N 3.09Å; E11-E15 PolarHBondContact O-N 2.89Å
12K91.4Very high85.6Confident112 Ų112117.2 Ų117.249%0.48755%0.554SS.*Hα-helixtrans-61.3-34.3175.5-175.9172-178.7174.70113.4F8 Q16F8-K12 VanDerWaalsContact O-CB 3.31Å; F8-K12 WeakPolarHBondContact O-CB 3.35Å; F8-K12 PolarHBondContact O-N 3.25Å; F8-K12 VanDerWaalsContact O-N 3.14Å; K12-Q16 WeakPolarHBondContact O-CG 3.43Å; K12-Q16 PolarHBondContact O-N 3.2Å; K12-Q16 VanDerWaalsContact O-N 3.1Å
13L89.4Confident86.8Confident101 Ų101116.2 Ų116.253%0.52955%0.549SS..Hα-helixtrans-72.1-35.1174.7-75.1168.2000111.8K9 E10 E11 Q16 L17K9-L13 WeakPolarHBondContact O-CD1 3.49Å; K9-L13 VanDerWaalsContact O-CG 3.27Å; K9-L13 WeakPolarHBondContact O-CG 3.31Å; K9-L13 PolarHBondContact O-N 3.42Å; E10-L13 PolarHBondContact O-N 3.13Å; E11-L13 VanDerWaalsContact C-N 3.29Å; E11-L13 PolarHBondContact O-N 3.41Å; L13-Q16 PolarHBondContact O-N 3.26Å; L13-L17 WeakPolarHBondContact O-CG 3.29Å; L13-L17 PolarHBondContact O-N 2.96Å
14A90.4Very high87.9Confident60 Ų60115.4 Ų115.450%0.49655%0.546SS..Hα-helixtrans-65.8-41.9173.500000112E10 E11 L17 K18E10-A14 PolarHBondContact O-N 2.92Å; E11-A14 WeakPolarHBondContact O-CB 3.36Å; E11-A14 PolarHBondContact O-N 3.47Å; E11-A14 VanDerWaalsContact O-N 3.09Å; A14-L17 PolarHBondContact O-N 3.09Å; A14-K18 WeakPolarHBondContact O-CB 3.11Å; A14-K18 PolarHBondContact O-N 3.41Å
15E91.9Very high88.8Confident118 Ų118116.2 Ų116.255%0.55155%0.546SS*.Hα-helixtrans-60.8-44.5172.3-70.5-167.4127.500112.2E11 L17 K18 Q19E11-E15 PolarHBondContact O-N 2.89Å; E15-L17 PolarHBondContact O-N 2.99Å; E15-K18 PolarHBondContact O-N 3.38Å; E15-Q19 WeakPolarHBondContact O-CG 3.48Å; E15-Q19 PolarHBondContact O-N 3.32Å
16Q92.5Very high89.5Confident100 Ų100119.5 Ų119.547%0.46756%0.556SS.*Hα-helixtrans-63.9-38.1177.5-76.4-177.3-25.300112.8K12 L13 A20K12-Q16 WeakPolarHBondContact O-CG 3.43Å; K12-Q16 PolarHBondContact O-N 3.2Å; K12-Q16 VanDerWaalsContact O-N 3.1Å; L13-Q16 PolarHBondContact O-N 3.26Å; Q16-A20 VanDerWaalsContact O-CB 3.29Å; Q16-A20 WeakPolarHBondContact O-CB 3.39Å; Q16-A20 PolarHBondContact O-N 3.1Å
17L91.7Very high90.4Very high127 Ų127116.4 Ų116.467%0.66555%0.548SS*.Hα-helixtrans-64.5-44.2173-80.4167.2000111.8L13 A14 E15 A20 E21L13-L17 WeakPolarHBondContact O-CG 3.29Å; L13-L17 PolarHBondContact O-N 2.96Å; A14-L17 PolarHBondContact O-N 3.09Å; E15-L17 PolarHBondContact O-N 2.99Å; L17-A20 PolarHBondContact O-N 3.14Å; L17-E21 PolarHBondContact O-N 2.85Å
18K93.1Very high91.3Very high130 Ų130116.1 Ų116.157%0.56555%0.554SS**Hα-helixtrans-61-46176.8-175.5174-179.1-69.90112A14 E15 A20 E21 E22A14-K18 WeakPolarHBondContact O-CB 3.11Å; A14-K18 PolarHBondContact O-N 3.41Å; E15-K18 PolarHBondContact O-N 3.38Å; K18-A20 VanDerWaalsContact C-N 3.35Å; K18-A20 PolarHBondContact O-N 2.96Å; K18-E21 PolarHBondContact O-N 3.39Å; K18-E22 IonicContact NZ-OE1 2.83Å; K18-E22 PolarHBondContact NZ-OE1 3.45Å; K18-E22 WeakPolarHBondContact O-CG 3.26Å; K18-E22 PolarHBondContact O-N 3.24Å
19Q92Very high92Very high108 Ų108115 Ų11551%0.50555%0.554SS.*Hα-helixtrans-61.9-40.7174.5-70.9171.78.400111.9E15 E21 E22 L23E15-Q19 WeakPolarHBondContact O-CG 3.48Å; E15-Q19 PolarHBondContact O-N 3.32Å; Q19-E21 VanDerWaalsContact C-N 3.31Å; Q19-E21 PolarHBondContact O-N 3.36Å; Q19-E22 PolarHBondContact O-N 3.24Å; Q19-L23 WeakPolarHBondContact O-CB 3.29Å; Q19-L23 VanDerWaalsContact O-CG 3.25Å; Q19-L23 WeakPolarHBondContact O-CG 3.25Å; Q19-L23 PolarHBondContact O-N 3.2Å
20A91.9Very high92.4Very high45 Ų45113 Ų11337%0.37255%0.55SS.*Hα-helixtrans-67.1-30176.600000113Q16 L17 K18 R24Q16-A20 VanDerWaalsContact O-CB 3.29Å; Q16-A20 WeakPolarHBondContact O-CB 3.39Å; Q16-A20 PolarHBondContact O-N 3.1Å; L17-A20 PolarHBondContact O-N 3.14Å; K18-A20 VanDerWaalsContact C-N 3.35Å; K18-A20 PolarHBondContact O-N 2.96Å; A20-R24 VanDerWaalsContact O-CG 3.26Å; A20-R24 WeakPolarHBondContact O-CG 3.45Å; A20-R24 PolarHBondContact O-N 2.93Å
21E93.6Very high92.8Very high121 Ų121110 Ų11057%0.56554%0.537SS*.Hα-helixtrans-75.8-44.5173.9-173165.5-162.600112.1L17 K18 Q19 L23 R24 Q25L17-E21 PolarHBondContact O-N 2.85Å; K18-E21 PolarHBondContact O-N 3.39Å; Q19-E21 VanDerWaalsContact C-N 3.31Å; Q19-E21 PolarHBondContact O-N 3.36Å; E21-L23 VanDerWaalsContact C-N 3.32Å; E21-L23 PolarHBondContact O-N 3.23Å; E21-R24 WeakPolarHBondContact O-CB 3.39Å; E21-R24 PolarHBondContact O-N 2.95Å; E21-Q25 WeakPolarHBondContact O-CG 3.34Å; E21-Q25 PolarHBondContact O-N 3.07Å
22E93.7Very high93.2Very high74 Ų74105.6 Ų105.635%0.34652%0.522SS..Hα-helixtrans-56.7-45.1172.4-73.8169.7-171.200111.3K18 Q19 R24 Q25 Y26K18-E22 IonicContact NZ-OE1 2.83Å; K18-E22 PolarHBondContact NZ-OE1 3.45Å; K18-E22 WeakPolarHBondContact O-CG 3.26Å; K18-E22 PolarHBondContact O-N 3.24Å; Q19-E22 PolarHBondContact O-N 3.24Å; E22-R24 VanDerWaalsContact C-N 3.31Å; E22-R24 PolarHBondContact O-N 3.48Å; E22-Q25 PolarHBondContact O-N 3.23Å; E22-Q25 VanDerWaalsContact O-N 3.15Å; E22-Y26 VanDerWaalsContact O-CD2 3.29Å; E22-Y26 WeakPolarHBondContact O-CD2 3.47Å; E22-Y26 PolarHBondContact O-N 2.95Å
23L93.9Very high93.4Very high123 Ų123104.6 Ų104.664%0.64452%0.519SS*.Hα-helixtrans-62.8-32.7175.2-73.7170.3000113.3Q19 E21 K27Q19-L23 WeakPolarHBondContact O-CB 3.29Å; Q19-L23 VanDerWaalsContact O-CG 3.25Å; Q19-L23 WeakPolarHBondContact O-CG 3.25Å; Q19-L23 PolarHBondContact O-N 3.2Å; E21-L23 VanDerWaalsContact C-N 3.32Å; E21-L23 PolarHBondContact O-N 3.23Å; L23-K27 WeakPolarHBondContact O-CB 3.42Å; L23-K27 PolarHBondContact O-N 2.93Å
24R93Very high93.6Very high187 Ų187104.4 Ų104.471%0.70652%0.516SS*.Hα-helixtrans-67.4-43.3172.4-74.4167.3-176.9-141.91.3111.1A20 E21 E22 K27 V28A20-R24 VanDerWaalsContact O-CG 3.26Å; A20-R24 WeakPolarHBondContact O-CG 3.45Å; A20-R24 PolarHBondContact O-N 2.93Å; E21-R24 WeakPolarHBondContact O-CB 3.39Å; E21-R24 PolarHBondContact O-N 2.95Å; E22-R24 VanDerWaalsContact C-N 3.31Å; E22-R24 PolarHBondContact O-N 3.48Å; R24-K27 PolarHBondContact O-N 2.99Å; R24-V28 WeakPolarHBondContact O-CG2 3.25Å; R24-V28 PolarHBondContact O-N 3.33Å; R24-V28 VanDerWaalsContact O-N 3.08Å
25Q94.3Very high93.9Very high121 Ų121109.9 Ų109.957%0.56552%0.523SS*.Hα-helixtrans-63.4-46.3177.6-65.6175.716.700111.2E21 E22 K27 V28 L29E21-Q25 WeakPolarHBondContact O-CG 3.34Å; E21-Q25 PolarHBondContact O-N 3.07Å; E22-Q25 PolarHBondContact O-N 3.23Å; E22-Q25 VanDerWaalsContact O-N 3.15Å; Q25-K27 VanDerWaalsContact C-N 3.33Å; Q25-K27 PolarHBondContact O-N 2.98Å; Q25-V28 PolarHBondContact O-N 3.14Å; Q25-L29 PolarHBondContact O-N 3.28Å
26Y93.1Very high94.1Very high154 Ų154110.1 Ų110.160%0.60453%0.525SS*.Hα-helixtrans-58.6-41.7173.6-84.8-68.3000112.6E22 V28 L29 V30E22-Y26 VanDerWaalsContact O-CD2 3.29Å; E22-Y26 WeakPolarHBondContact O-CD2 3.47Å; E22-Y26 PolarHBondContact O-N 2.95Å; Y26-V28 VanDerWaalsContact C-N 3.34Å; Y26-V28 PolarHBondContact O-N 3.47Å; Y26-L29 PolarHBondContact O-N 2.91Å; Y26-V30 WeakPolarHBondContact O-CG2 3.43Å; Y26-V30 PolarHBondContact O-N 3.27Å
27K95Very high94.2Very high135 Ų135108.7 Ų108.759%0.58752%0.52SS*.Hα-helixtrans-63-37.9176.7-175.4172-179.61770112.8L23 R24 Q25 H31L23-K27 WeakPolarHBondContact O-CB 3.42Å; L23-K27 PolarHBondContact O-N 2.93Å; R24-K27 PolarHBondContact O-N 2.99Å; Q25-K27 VanDerWaalsContact C-N 3.33Å; Q25-K27 PolarHBondContact O-N 2.98Å; K27-H31 WeakPolarHBondContact CE-NE2 3.38Å; K27-H31 PolarHBondContact O-CD2 3.31Å; K27-H31 VanDerWaalsContact O-CD2 3.28Å; K27-H31 PolarHBondContact O-N 3.41Å; K27-H31 VanDerWaalsContact O-N 3.08Å
28V95.6Very high94.4Very high107 Ų107106.7 Ų106.765%0.64851%0.513SS*.Hα-helixtrans-65.3-43.1174.2172.70000110.9R24 Q25 Y26 H31 A32R24-V28 WeakPolarHBondContact O-CG2 3.25Å; R24-V28 PolarHBondContact O-N 3.33Å; R24-V28 VanDerWaalsContact O-N 3.08Å; Q25-V28 PolarHBondContact O-N 3.14Å; Y26-V28 VanDerWaalsContact C-N 3.34Å; Y26-V28 PolarHBondContact O-N 3.47Å; V28-H31 PolarHBondContact O-N 3.39Å; V28-A32 PolarHBondContact O-N 2.73Å
29L95.1Very high94.4Very high113 Ų113105.9 Ų105.959%0.59251%0.511SS*.Hα-helixtrans-63.9-43.3178-176.262.9000112.4Q25 Y26 A32 Q33Q25-L29 PolarHBondContact O-N 3.28Å; Y26-L29 PolarHBondContact O-N 2.91Å; L29-A32 WeakPolarHBondContact O-CB 3.47Å; L29-A32 PolarHBondContact O-N 3.23Å; L29-Q33 PolarHBondContact O-N 3.43Å
30V95.6Very high94.5Very high69 Ų69105.4 Ų105.442%0.41851%0.511SS..Hα-helixtrans-60.5-47.8174.8170.50000110.7Y26 A32 Q33 E34Y26-V30 WeakPolarHBondContact O-CG2 3.43Å; Y26-V30 PolarHBondContact O-N 3.27Å; V30-A32 VanDerWaalsContact C-N 3.26Å; V30-A32 PolarHBondContact O-N 3.08Å; V30-Q33 PolarHBondContact O-N 3.04Å; V30-Q33 VanDerWaalsContact O-N 3.17Å; V30-E34 HydrophobicContact CG1-CG 4.32Å; V30-E34 WeakPolarHBondContact O-CG 3.41Å; V30-E34 PolarHBondContact O-N 3.01Å
31H93.4Very high94.6Very high75 Ų75111.3 Ų111.335%0.34752%0.524SS..Hα-helixtrans-66.3-23.4177.2-72.2-37.9000114K27 V28 E34 R35K27-H31 WeakPolarHBondContact CE-NE2 3.38Å; K27-H31 PolarHBondContact O-CD2 3.31Å; K27-H31 VanDerWaalsContact O-CD2 3.28Å; K27-H31 PolarHBondContact O-N 3.41Å; K27-H31 VanDerWaalsContact O-N 3.08Å; V28-H31 PolarHBondContact O-N 3.39Å; H31-E34 IonicContact CE1-OE2 2.87Å; H31-E34 IonicContact CG-OE2 2.69Å; H31-E34 IonicContact ND1-OE2 2.73Å; H31-E34 PolarHBondContact ND1-OE2 2.9Å; H31-R35 VanDerWaalsContact O-CD 3.25Å; H31-R35 WeakPolarHBondContact O-CD 3.24Å; H31-R35 VanDerWaalsContact O-CG 3.24Å; H31-R35 WeakPolarHBondContact O-CG 3.29Å; H31-R35 PolarHBondContact O-NE 2.62Å
32A95.6Very high94.6Very high37 Ų37111.2 Ų111.231%0.30652%0.524SS..Hα-helixtrans-71.2-50.1168.900000110.8V28 L29 V30 E34 R35 E36V28-A32 PolarHBondContact O-N 2.73Å; L29-A32 WeakPolarHBondContact O-CB 3.47Å; L29-A32 PolarHBondContact O-N 3.23Å; V30-A32 VanDerWaalsContact C-N 3.26Å; V30-A32 PolarHBondContact O-N 3.08Å; A32-E34 VanDerWaalsContact C-N 3.33Å; A32-E34 PolarHBondContact O-N 2.97Å; A32-R35 WeakPolarHBondContact O-CB 3.44Å; A32-R35 PolarHBondContact O-N 3.08Å; A32-E36 PolarHBondContact O-N 3.48Å
33Q96.1Very high94.4Very high92 Ų92114 Ų11443%0.4354%0.535SS..Hα-helixtrans-62.8-35.7179.3-170.9170.853.800112.8L29 V30 R35 E36 L37L29-Q33 PolarHBondContact O-N 3.43Å; V30-Q33 PolarHBondContact O-N 3.04Å; V30-Q33 VanDerWaalsContact O-N 3.17Å; Q33-R35 VanDerWaalsContact C-N 3.3Å; Q33-R35 PolarHBondContact O-N 2.9Å; Q33-E36 PolarHBondContact O-N 3.4Å; Q33-L37 HydrophobicContact CG-CD1 4.16Å; Q33-L37 HydrophobicContact CG-CG 4.44Å; Q33-L37 WeakPolarHBondContact O-CB 3.41Å; Q33-L37 VanDerWaalsContact O-CG 3.27Å; Q33-L37 WeakPolarHBondContact O-CG 3.37Å; Q33-L37 PolarHBondContact O-N 3.45Å
34E95.1Very high94.2Very high96 Ų96113.1 Ų113.145%0.44953%0.53SS..Hα-helixtrans-60-38172.3-76173.916100112.5V30 H31 A32 T38V30-E34 HydrophobicContact CG1-CG 4.32Å; V30-E34 WeakPolarHBondContact O-CG 3.41Å; V30-E34 PolarHBondContact O-N 3.01Å; H31-E34 IonicContact CE1-OE2 2.87Å; H31-E34 IonicContact CG-OE2 2.69Å; H31-E34 IonicContact ND1-OE2 2.73Å; H31-E34 PolarHBondContact ND1-OE2 2.9Å; A32-E34 VanDerWaalsContact C-N 3.33Å; A32-E34 PolarHBondContact O-N 2.97Å; E34-T38 WeakPolarHBondContact O-CB 3.35Å; E34-T38 PolarHBondContact O-N 3.19Å; E34-T38 PolarHBondContact O-OG1 3.05Å
35R95.4Very high94Very high175 Ų175112.1 Ų112.166%0.6653%0.526SS*.Hα-helixtrans-71.5-44177.5-67.3163.8-174.8-1770.6111.2H31 A32 Q33 T38 Q39H31-R35 VanDerWaalsContact O-CD 3.25Å; H31-R35 WeakPolarHBondContact O-CD 3.24Å; H31-R35 VanDerWaalsContact O-CG 3.24Å; H31-R35 WeakPolarHBondContact O-CG 3.29Å; H31-R35 PolarHBondContact O-NE 2.62Å; A32-R35 WeakPolarHBondContact O-CB 3.44Å; A32-R35 PolarHBondContact O-N 3.08Å; Q33-R35 VanDerWaalsContact C-N 3.3Å; Q33-R35 PolarHBondContact O-N 2.9Å; R35-T38 WeakPolarHBondContact O-CB 3.16Å; R35-T38 PolarHBondContact O-N 3.11Å; R35-T38 VanDerWaalsContact O-N 3.15Å; R35-Q39 WeakPolarHBondContact O-CG 3.34Å; R35-Q39 PolarHBondContact O-N 3.15Å
36E96.3Very high93.4Very high124 Ų124111.9 Ų111.958%0.57953%0.525SS*.Hα-helixtrans-60.4-46.4175.1-69.6172.8-174.700111.6A32 Q33 T38 Q39 L40A32-E36 PolarHBondContact O-N 3.48Å; Q33-E36 PolarHBondContact O-N 3.4Å; E36-T38 VanDerWaalsContact C-N 3.26Å; E36-T38 PolarHBondContact O-N 2.71Å; E36-Q39 PolarHBondContact O-N 3.37Å; E36-L40 WeakPolarHBondContact O-CB 3.45Å; E36-L40 PolarHBondContact O-N 3.38Å
37L94.7Very high93.1Very high70 Ų70106.6 Ų106.637%0.36652%0.518SS..Hα-helixtrans-61.6-33.5174.3-74170.2000112.4Q33 R41Q33-L37 HydrophobicContact CG-CD1 4.16Å; Q33-L37 HydrophobicContact CG-CG 4.44Å; Q33-L37 WeakPolarHBondContact O-CB 3.41Å; Q33-L37 VanDerWaalsContact O-CG 3.27Å; Q33-L37 WeakPolarHBondContact O-CG 3.37Å; Q33-L37 PolarHBondContact O-N 3.45Å; L37-R41 WeakPolarHBondContact O-CB 3.35Å; L37-R41 WeakPolarHBondContact O-CD 3.47Å; L37-R41 WeakPolarHBondContact O-CG 3.46Å; L37-R41 PolarHBondContact O-N 2.92Å
38T95.8Very high92.7Very high84 Ų84107.9 Ų107.952%0.51552%0.519SS..Hα-helixtrans-68.8-47.3175.5-58.90000111.2E34 R35 E36 L40 R41 E42E34-T38 WeakPolarHBondContact O-CB 3.35Å; E34-T38 PolarHBondContact O-N 3.19Å; E34-T38 PolarHBondContact O-OG1 3.05Å; R35-T38 WeakPolarHBondContact O-CB 3.16Å; R35-T38 PolarHBondContact O-N 3.11Å; R35-T38 VanDerWaalsContact O-N 3.15Å; E36-T38 VanDerWaalsContact C-N 3.26Å; E36-T38 PolarHBondContact O-N 2.71Å; T38-L40 VanDerWaalsContact C-N 3.33Å; T38-L40 PolarHBondContact O-N 3.03Å; T38-R41 PolarHBondContact O-N 3.42Å; T38-E42 PolarHBondContact O-N 3.17Å
39Q92.9Very high91.9Very high114 Ų114105.9 Ų105.953%0.53351%0.505SS..Hα-helixtrans-62.7-37.7175.5-68.6176.19.800112.4R35 E36 E42 K43R35-Q39 WeakPolarHBondContact O-CG 3.34Å; R35-Q39 PolarHBondContact O-N 3.15Å; E36-Q39 PolarHBondContact O-N 3.37Å; Q39-E42 PolarHBondContact O-N 3.3Å; Q39-K43 WeakPolarHBondContact O-CG 3.27Å; Q39-K43 PolarHBondContact O-N 2.85Å
40L94.6Very high90.8Very high97 Ų97103.3 Ų103.351%0.50850%0.5SS..Hα-helixtrans-67.5-40.6176.1-174.762.4000111.5E36 T38 E42 K43 L44E36-L40 WeakPolarHBondContact O-CB 3.45Å; E36-L40 PolarHBondContact O-N 3.38Å; T38-L40 VanDerWaalsContact C-N 3.33Å; T38-L40 PolarHBondContact O-N 3.03Å; L40-E42 VanDerWaalsContact C-N 3.29Å; L40-E42 PolarHBondContact O-N 3.06Å; L40-K43 PolarHBondContact O-N 2.98Å; L40-L44 HydrophobicContact CD1-CD1 4.48Å; L40-L44 HydrophobicContact CG-CD1 4.08Å; L40-L44 VanDerWaalsContact O-CB 3.3Å; L40-L44 WeakPolarHBondContact O-CB 3.41Å; L40-L44 VanDerWaalsContact O-CG 3.25Å; L40-L44 WeakPolarHBondContact O-CG 3.48Å; L40-L44 PolarHBondContact O-N 3.35Å
41R93.6Very high89.9Confident170 Ų170103.3 Ų103.364%0.64250%0.503SS*.Hα-helixtrans-64.5-32173.9-75.8166.1175173.7-2.3113L37 T38 R45L37-R41 WeakPolarHBondContact O-CB 3.35Å; L37-R41 WeakPolarHBondContact O-CD 3.47Å; L37-R41 WeakPolarHBondContact O-CG 3.46Å; L37-R41 PolarHBondContact O-N 2.92Å; T38-R41 PolarHBondContact O-N 3.42Å; R41-R45 PolarHBondContact O-N 3.01Å
42E93.6Very high89.1Confident118 Ų118106.9 Ų106.955%0.55151%0.513SS*.Hα-helixtrans-68.8-52.2173.7-172.2162.2-133.700110.8T38 Q39 L40 L44 R45 E46T38-E42 PolarHBondContact O-N 3.17Å; Q39-E42 PolarHBondContact O-N 3.3Å; L40-E42 VanDerWaalsContact C-N 3.29Å; L40-E42 PolarHBondContact O-N 3.06Å; E42-L44 VanDerWaalsContact C-N 3.3Å; E42-L44 PolarHBondContact O-N 2.94Å; E42-R45 WeakPolarHBondContact O-CA 3.26Å; E42-R45 VanDerWaalsContact O-CB 3.26Å; E42-R45 WeakPolarHBondContact O-CB 3.35Å; E42-R45 PolarHBondContact O-N 2.81Å; E42-E46 PolarHBondContact O-N 3.37Å
43K89.3Confident87.9Confident134 Ų134107.5 Ų107.558%0.58352%0.516SS*.Hα-helixtrans-59.2-37.3174.4-71176.5178.2179.10113.4Q39 L40 R45 E46 G47Q39-K43 WeakPolarHBondContact O-CG 3.27Å; Q39-K43 PolarHBondContact O-N 2.85Å; L40-K43 PolarHBondContact O-N 2.98Å; K43-R45 PolarHBondContact O-N 2.94Å; K43-E46 PolarHBondContact O-N 3.26Å; K43-G47 PolarHBondContact O-N 3.21Å
44L90.4Very high87Confident103 Ų103107.9 Ų107.954%0.53952%0.52SS..Hα-helixtrans-71.8-10.8172.8-72.9171.6000113.5L40 E42 R48L40-L44 HydrophobicContact CD1-CD1 4.48Å; L40-L44 HydrophobicContact CG-CD1 4.08Å; L40-L44 VanDerWaalsContact O-CB 3.3Å; L40-L44 WeakPolarHBondContact O-CB 3.41Å; L40-L44 VanDerWaalsContact O-CG 3.25Å; L40-L44 WeakPolarHBondContact O-CG 3.48Å; L40-L44 PolarHBondContact O-N 3.35Å; E42-L44 VanDerWaalsContact C-N 3.3Å; E42-L44 PolarHBondContact O-N 2.94Å; L44-R48 PolarHBondContact O-NE 3.01Å; L44-R48 PolarHBondContact O-NH2 2.89Å
45R89.4Confident86.2Confident166 Ų166106 Ų10663%0.62651%0.513SS*.Hα-helixtrans-88.1-51.5166.7-171.5-179.4-61-176.50.1109.8R41 E42 K43 G47 R48 D49R41-R45 PolarHBondContact O-N 3.01Å; E42-R45 WeakPolarHBondContact O-CA 3.26Å; E42-R45 VanDerWaalsContact O-CB 3.26Å; E42-R45 WeakPolarHBondContact O-CB 3.35Å; E42-R45 PolarHBondContact O-N 2.81Å; K43-R45 PolarHBondContact O-N 2.94Å; R45-G47 VanDerWaalsContact C-N 3.3Å; R45-G47 PolarHBondContact O-N 3.47Å; R45-R48 CarbonylContact O-C 3.58Å; R45-R48 WeakPolarHBondContact O-CA 3.3Å; R45-R48 PolarHBondContact O-N 2.99Å; R45-D49 VanDerWaalsContact O-CG 3.3Å; R45-D49 PolarHBondContact O-N 3.44Å
46E80.9Confident85.2Confident116 Ų116103.6 Ų103.654%0.54251%0.509SS..Hα-helixtrans-52.1-45.8176-65175.8145.700112.1E42 K43 R48 D49 A50E42-E46 PolarHBondContact O-N 3.37Å; K43-E46 PolarHBondContact O-N 3.26Å; E46-R48 PolarHBondContact O-N 3.44Å; E46-D49 PolarHBondContact O-N 3.39Å; E46-A50 WeakPolarHBondContact O-CB 3.49Å; E46-A50 PolarHBondContact O-N 2.87Å
47G86.6Confident83.8Confident44 Ų44103.3 Ų103.345%0.45451%0.508SS..Hα-helixtrans-65.1-33.8176.800000114K43 R45 S51K43-G47 PolarHBondContact O-N 3.21Å; R45-G47 VanDerWaalsContact C-N 3.3Å; R45-G47 PolarHBondContact O-N 3.47Å; G47-S51 VanDerWaalsContact O-CB 3.22Å; G47-S51 WeakPolarHBondContact O-CB 3.25Å; G47-S51 PolarHBondContact O-N 3.39Å
48R87.6Confident82.9Confident161 Ų161101.8 Ų101.861%0.60850%0.5SS*.Hα-helixtrans-73.3-35.2172.5-83.5-177.7-70.4175.2-4.1111.9L44 R45 E46 S51 R52L44-R48 PolarHBondContact O-NE 3.01Å; L44-R48 PolarHBondContact O-NH2 2.89Å; R45-R48 CarbonylContact O-C 3.58Å; R45-R48 WeakPolarHBondContact O-CA 3.3Å; R45-R48 PolarHBondContact O-N 2.99Å; E46-R48 PolarHBondContact O-N 3.44Å; R48-S51 PolarHBondContact O-N 3.34Å; R48-R52 WeakPolarHBondContact O-CB 3.28Å; R48-R52 WeakPolarHBondContact O-CG 3.35Å; R48-R52 PolarHBondContact O-N 3.15Å
49D78.9Confident81.8Confident65 Ų65103.2 Ų103.235%0.34850%0.5SS..Hα-helixtrans-72.3-40.1178.7-65.3-16.8000111R45 E46 R52 S53R45-D49 VanDerWaalsContact O-CG 3.3Å; R45-D49 PolarHBondContact O-N 3.44Å; E46-D49 PolarHBondContact O-N 3.39Å; D49-R52 PolarHBondContact O-N 3Å; D49-R52 IonicContact OD1-CZ 3.76Å; D49-R52 IonicContact OD1-NE 2.6Å; D49-R52 IonicContact OD1-NH2 2.62Å; D49-R52 PolarHBondContact OD1-NH2 3.34Å; D49-S53 WeakPolarHBondContact O-CB 3.34Å; D49-S53 PolarHBondContact O-N 3.11Å
50A70.6Confident80.7Confident60 Ų60100.7 Ų100.750%0.49650%0.499SS..Hα-helixtrans-62.8-41.1168.600000112.2E46 S53 L54E46-A50 WeakPolarHBondContact O-CB 3.49Å; E46-A50 PolarHBondContact O-N 2.87Å; A50-S53 PolarHBondContact O-N 3.23Å; A50-L54 VanDerWaalsContact O-CB 3.28Å; A50-L54 WeakPolarHBondContact O-CB 3.41Å; A50-L54 PolarHBondContact O-N 3.27Å
51S76.7Confident79.4Confident69 Ų69102.6 Ų102.648%0.48351%0.509SS..Hα-helixtrans-64.7-38.6174.9178.90000112.7G47 R48 N55G47-S51 VanDerWaalsContact O-CB 3.22Å; G47-S51 WeakPolarHBondContact O-CB 3.25Å; G47-S51 PolarHBondContact O-N 3.39Å; R48-S51 PolarHBondContact O-N 3.34Å; S51-N55 WeakPolarHBondContact O-CB 3.41Å; S51-N55 PolarHBondContact O-N 2.92Å
52R77.5Confident77.9Confident150 Ų15096.9 Ų96.957%0.56649%0.491SS*.Hα-helixtrans-66.7-49.3173.4-74.6-168.5-66.3160.4-3.4112R48 D49 L54 N55 E56R48-R52 WeakPolarHBondContact O-CB 3.28Å; R48-R52 WeakPolarHBondContact O-CG 3.35Å; R48-R52 PolarHBondContact O-N 3.15Å; D49-R52 PolarHBondContact O-N 3Å; D49-R52 IonicContact OD1-CZ 3.76Å; D49-R52 IonicContact OD1-NE 2.6Å; D49-R52 IonicContact OD1-NH2 2.62Å; D49-R52 PolarHBondContact OD1-NH2 3.34Å; R52-L54 VanDerWaalsContact C-N 3.3Å; R52-L54 PolarHBondContact O-N 3.48Å; R52-N55 WeakPolarHBondContact O-CB 3.39Å; R52-N55 PolarHBondContact O-N 3.42Å; R52-N55 VanDerWaalsContact O-N 3.1Å; R52-E56 WeakPolarHBondContact O-CG 3.49Å; R52-E56 PolarHBondContact O-N 3.28Å
53S69.3Low76.4Confident50 Ų5095.3 Ų95.335%0.3549%0.489SS..Hα-helixtrans-59.6-39.7176.1171.40000111.9D49 A50 E56 H57D49-S53 WeakPolarHBondContact O-CB 3.34Å; D49-S53 PolarHBondContact O-N 3.11Å; A50-S53 PolarHBondContact O-N 3.23Å; S53-E56 PolarHBondContact O-N 2.85Å; S53-H57 PolarHBondContact O-CD2 2.87Å; S53-H57 PolarHBondContact O-N 3.31Å
54L78.8Confident74.9Confident100 Ų10094.5 Ų94.552%0.52450%0.498SS..Hα-helixtrans-59-54.2170.8178.161.1000110.3A50 R52 E56 H57 L58A50-L54 VanDerWaalsContact O-CB 3.28Å; A50-L54 WeakPolarHBondContact O-CB 3.41Å; A50-L54 PolarHBondContact O-N 3.27Å; R52-L54 VanDerWaalsContact C-N 3.3Å; R52-L54 PolarHBondContact O-N 3.48Å; L54-E56 VanDerWaalsContact C-N 3.29Å; L54-E56 PolarHBondContact O-N 2.84Å; L54-H57 CarbonylContact O-C 3.56Å; L54-H57 WeakPolarHBondContact O-CA 3.37Å; L54-H57 PolarHBondContact O-N 2.86Å; L54-L58 HydrophobicContact CD1-CD1 4.26Å; L54-L58 HydrophobicContact CD1-CD2 3.97Å; L54-L58 HydrophobicContact CD1-CG 3.98Å; L54-L58 HydrophobicContact CG-CD1 4.03Å; L54-L58 HydrophobicContact CG-CG 4.15Å; L54-L58 VanDerWaalsContact O-CG 3.28Å; L54-L58 WeakPolarHBondContact O-CG 3.4Å; L54-L58 PolarHBondContact O-N 3.23Å
55N78Confident73.3Confident55 Ų5596.6 Ų96.629%0.29451%0.51SS..Hα-helixtrans-57.4-39.6179.8-166.1-14.4000112.5S51 R52 L58 Q59S51-N55 WeakPolarHBondContact O-CB 3.41Å; S51-N55 PolarHBondContact O-N 2.92Å; R52-N55 WeakPolarHBondContact O-CB 3.39Å; R52-N55 PolarHBondContact O-N 3.42Å; R52-N55 VanDerWaalsContact O-N 3.1Å; N55-L58 PolarHBondContact O-N 2.99Å; N55-Q59 WeakPolarHBondContact O-CB 3.22Å; N55-Q59 VanDerWaalsContact O-CG 3.31Å; N55-Q59 WeakPolarHBondContact O-CG 3.36Å; N55-Q59 PolarHBondContact O-N 3.43Å; N55-Q59 PolarHBondContact OD1-NE2 2.68Å
56E73.4Confident71.6Confident125 Ų12597.7 Ų97.758%0.58452%0.522SS*.Hα-helixtrans-62.3-43.4172.5-71.8166.5-161.800112.3R52 S53 L54 Q59 A60R52-E56 WeakPolarHBondContact O-CG 3.49Å; R52-E56 PolarHBondContact O-N 3.28Å; S53-E56 PolarHBondContact O-N 2.85Å; L54-E56 VanDerWaalsContact C-N 3.29Å; L54-E56 PolarHBondContact O-N 2.84Å; E56-Q59 PolarHBondContact O-N 3.35Å; E56-A60 WeakPolarHBondContact O-CB 3.49Å; E56-A60 PolarHBondContact O-N 3.2Å
57H67.6Low70.3Confident119 Ų11996.6 Ų96.655%0.55153%0.525SS*.Hα-helixtrans-68-38174.5-72.7-50.4000113.1S53 L54 A60 L61S53-H57 PolarHBondContact O-CD2 2.87Å; S53-H57 PolarHBondContact O-N 3.31Å; L54-H57 CarbonylContact O-C 3.56Å; L54-H57 WeakPolarHBondContact O-CA 3.37Å; L54-H57 PolarHBondContact O-N 2.86Å; H57-A60 PolarHBondContact O-N 3.49Å; H57-L61 WeakPolarHBondContact O-CG 3.4Å; H57-L61 PolarHBondContact O-N 3.37Å; H57-L61 VanDerWaalsContact O-N 3.12Å
58L74.9Confident68.5Low38 Ų38102 Ų10220%0.19954%0.543CS..Hα-helixtrans-63.3-48.6173.8-61.9-177.7000109.6L54 N55 A60 L61 L62 L79L54-L58 HydrophobicContact CD1-CD1 4.26Å; L54-L58 HydrophobicContact CD1-CD2 3.97Å; L54-L58 HydrophobicContact CD1-CG 3.98Å; L54-L58 HydrophobicContact CG-CD1 4.03Å; L54-L58 HydrophobicContact CG-CG 4.15Å; L54-L58 VanDerWaalsContact O-CG 3.28Å; L54-L58 WeakPolarHBondContact O-CG 3.4Å; L54-L58 PolarHBondContact O-N 3.23Å; N55-L58 PolarHBondContact O-N 2.99Å; L58-A60 VanDerWaalsContact C-N 3.3Å; L58-A60 PolarHBondContact O-N 2.89Å; L58-L61 CarbonylContact O-C 3.59Å; L58-L61 WeakPolarHBondContact O-CA 3.28Å; L58-L61 WeakPolarHBondContact O-CB 3.29Å; L58-L61 PolarHBondContact O-N 3.22Å; L58-L62 WeakPolarHBondContact O-CG 3.37Å; L58-L62 PolarHBondContact O-N 2.87Å; L58-L79 HydrophobicContact CB-CD2 3.78Å; L58-L79 HydrophobicContact CB-CG 4.1Å; L58-L79 HydrophobicContact CD1-CG 4.2Å; L58-L79 HydrophobicContact CD2-CD1 4.06Å; L58-L79 HydrophobicContact CD2-CD2 3.82Å; L58-L79 HydrophobicContact CD2-CG 3.8Å; L58-L79 HydrophobicContact CG-CD2 4.26Å; L58-L79 HydrophobicContact CG-CG 4.2Å
59Q73.4Confident67Low113 Ų113102.4 Ų102.453%0.52855%0.55SS..Hα-helixtrans-58.7-38.6174.8-75176.54500112.8N55 E56 L61 L62 T63N55-Q59 WeakPolarHBondContact O-CB 3.22Å; N55-Q59 VanDerWaalsContact O-CG 3.31Å; N55-Q59 WeakPolarHBondContact O-CG 3.36Å; N55-Q59 PolarHBondContact O-N 3.43Å; N55-Q59 PolarHBondContact OD1-NE2 2.68Å; E56-Q59 PolarHBondContact O-N 3.35Å; Q59-L61 VanDerWaalsContact C-N 3.29Å; Q59-L61 PolarHBondContact O-N 2.6Å; Q59-L62 CarbonylContact O-C 3.54Å; Q59-L62 WeakPolarHBondContact O-CA 3.35Å; Q59-L62 WeakPolarHBondContact O-CB 3.31Å; Q59-L62 PolarHBondContact O-N 3.41Å; Q59-T63 PolarHBondContact O-N 3.36Å; Q59-T63 VanDerWaalsContact O-N 3.07Å; Q59-T63 PolarHBondContact O-OG1 3.39Å
60A69.8Low66.1Low61 Ų61103.1 Ų103.150%0.50456%0.559SS.*Hα-helixtrans-62.5-34.6175.100000112.7E56 H57 L58 L62 T63E56-A60 WeakPolarHBondContact O-CB 3.49Å; E56-A60 PolarHBondContact O-N 3.2Å; H57-A60 PolarHBondContact O-N 3.49Å; L58-A60 VanDerWaalsContact C-N 3.3Å; L58-A60 PolarHBondContact O-N 2.89Å; A60-L62 VanDerWaalsContact C-N 3.32Å; A60-T63 WeakPolarHBondContact CA-OG1 3.48Å; A60-T63 PolarHBondContact O-OG1 2.78Å
61L66.8Low65.4Low138 Ų138107.9 Ų107.972%0.72357%0.571SS**Hα-helixtrans-74.6-19.5171.1-65.3168.2000113.1H57 L58 Q59H57-L61 WeakPolarHBondContact O-CG 3.4Å; H57-L61 PolarHBondContact O-N 3.37Å; H57-L61 VanDerWaalsContact O-N 3.12Å; L58-L61 CarbonylContact O-C 3.59Å; L58-L61 WeakPolarHBondContact O-CA 3.28Å; L58-L61 WeakPolarHBondContact O-CB 3.29Å; L58-L61 PolarHBondContact O-N 3.22Å; Q59-L61 VanDerWaalsContact C-N 3.29Å; Q59-L61 PolarHBondContact O-N 2.6Å
62L63.5Low64.5Low50 Ų50106.7 Ų106.726%0.26257%0.57SS.*Hα-helixtrans-87.9-12174.9-59.5-160.4000113.7L58 Q59 A60 P64 Q76 L79L58-L62 WeakPolarHBondContact O-CG 3.37Å; L58-L62 PolarHBondContact O-N 2.87Å; Q59-L62 CarbonylContact O-C 3.54Å; Q59-L62 WeakPolarHBondContact O-CA 3.35Å; Q59-L62 WeakPolarHBondContact O-CB 3.31Å; Q59-L62 PolarHBondContact O-N 3.41Å; A60-L62 VanDerWaalsContact C-N 3.32Å; L62-P64 WeakPolarHBondContact O-CD 3.44Å; L62-Q76 HydrophobicContact CD1-CG 4.31Å; L62-Q76 HydrophobicContact CD2-CB 3.71Å; L62-Q76 HydrophobicContact CD2-CG 3.7Å; L62-L79 HydrophobicContact CD2-CB 4.2Å; L62-L79 HydrophobicContact CD2-CD2 3.53Å; L62-L79 HydrophobicContact CG-CD2 4.14Å
63T61.6Low63.6Low84 Ų84105.3 Ų105.352%0.51557%0.57SS.*SBendtrans-66.9119.5175.9-7.90000110.1Q59 A60 D65Q59-T63 PolarHBondContact O-N 3.36Å; Q59-T63 VanDerWaalsContact O-N 3.07Å; Q59-T63 PolarHBondContact O-OG1 3.39Å; A60-T63 WeakPolarHBondContact CA-OG1 3.48Å; A60-T63 PolarHBondContact O-OG1 2.78Å; T63-D65 PolarHBondContact O-N 3.45Å
64P57.9Low63.4Low117 Ų117108.2 Ų108.276%0.7658%0.582SS**  trans-83.956.2-169.135.1-37.8000113.3L62 E66L62-P64 WeakPolarHBondContact O-CD 3.44Å; P64-E66 PolarHBondContact O-N 2.96Å
65D56.2Low62.6Low148 Ų148108.3 Ų108.379%0.79158%0.582SS**SBendtrans-82.396.3169.1-78.9-30.6000109.8T63T63-D65 PolarHBondContact O-N 3.45Å
66E54.4Low62.1Low188 Ų188109.8 Ų109.888%0.87959%0.587SS**SBendtrans73.8113.2-175.3-54.6-151.3135.400116.4P64P64-E66 PolarHBondContact O-N 2.96Å
67P51.9Low61.9Low93 Ų93110.1 Ų110.160%0.60459%0.589SS**  trans-100.299.7-173.336.4-32.9000114.1K69P67-K69 HydrophobicContact CB-CG 4.22Å; P67-K69 WeakPolarHBondContact O-CG 3.39Å; P67-K69 PolarHBondContact O-N 2.84Å
68D49.6Very low61.9Low157 Ų157110.6 Ų110.684%0.8459%0.591SS**  trans-81.6105.6158.5-99-29.7000110.1S70D68-S70 VanDerWaalsContact C-N 3.35Å; D68-S70 PolarHBondContact O-N 2.82Å
69K57.3Low61.6Low171 Ų171110.5 Ų110.574%0.74359%0.591SS**THydrogen-bonded Turntrans-84.764.8-159-59.7176.8-172.8172.10114.1P67P67-K69 HydrophobicContact CB-CG 4.22Å; P67-K69 WeakPolarHBondContact O-CG 3.39Å; P67-K69 PolarHBondContact O-N 2.84Å
70S59.3Low61.5Low79 Ų79107 Ų10755%0.55258%0.582SS**THydrogen-bonded Turntrans-157.8-68.216053.30000111.4D68 G72 Q73D68-S70 VanDerWaalsContact C-N 3.35Å; D68-S70 PolarHBondContact O-N 2.82Å; S70-G72 VanDerWaalsContact C-N 3.29Å; S70-G72 PolarHBondContact O-N 3.35Å; S70-Q73 PolarHBondContact O-N 3.18Å; S70-Q73 VanDerWaalsContact O-N 3.14Å
71Q55Low61.5Low160 Ų160109 Ų10975%0.74858%0.58SS**Hα-helixtrans-65.7-27-170-63.8-170.1-68.200114.4Q73 L75Q71-Q73 VanDerWaalsContact C-N 3.34Å; Q71-Q73 PolarHBondContact O-N 2.74Å; Q71-L75 WeakPolarHBondContact O-CG 3.31Å
72G57.8Low61.8Low44 Ų44104.3 Ų104.345%0.45457%0.565SS.*Hα-helixtrans-68.4-29.1176.500000113.9S70 Q76S70-G72 VanDerWaalsContact C-N 3.29Å; S70-G72 PolarHBondContact O-N 3.35Å; G72-Q76 WeakPolarHBondContact O-CB 3.35Å; G72-Q76 PolarHBondContact O-N 2.92Å
73Q59.7Low62Low121 Ų121103.2 Ų103.257%0.56556%0.562SS**Hα-helixtrans-78.8-45.5-172.7-67-171.3-108.300112.5S70 Q71 L75 Q76 E77S70-Q73 PolarHBondContact O-N 3.18Å; S70-Q73 VanDerWaalsContact O-N 3.14Å; Q71-Q73 VanDerWaalsContact C-N 3.34Å; Q71-Q73 PolarHBondContact O-N 2.74Å; Q73-L75 VanDerWaalsContact C-N 3.31Å; Q73-L75 PolarHBondContact O-N 3.16Å; Q73-Q76 WeakPolarHBondContact O-CB 3.43Å; Q73-Q76 PolarHBondContact O-N 3.48Å; Q73-Q76 VanDerWaalsContact O-N 3.1Å; Q73-E77 PolarHBondContact O-N 2.96Å
74D63.9Low62.6Low112 Ų112105.6 Ų105.660%0.59956%0.561SS**Hα-helixtrans-61.1-42.2177.2-63.48.3000111.1E77 Q78D74-E77 PolarHBondContact O-N 2.84Å; D74-Q78 WeakPolarHBondContact O-CB 3.42Å; D74-Q78 WeakPolarHBondContact O-CG 3.49Å; D74-Q78 PolarHBondContact O-N 3.45Å
75L61.8Low62.8Low102 Ų102105 Ų10553%0.53455%0.551SS.*Hα-helixtrans-64.7-40.2173.8-70.1173.9000111.6Q71 Q73 L79Q71-L75 WeakPolarHBondContact O-CG 3.31Å; Q73-L75 VanDerWaalsContact C-N 3.31Å; Q73-L75 PolarHBondContact O-N 3.16Å; L75-L79 VanDerWaalsContact O-CB 3.31Å; L75-L79 WeakPolarHBondContact O-CB 3.4Å; L75-L79 WeakPolarHBondContact O-CD1 3.34Å; L75-L79 PolarHBondContact O-N 2.96Å
76Q68.4Low63.4Low85 Ų85100.2 Ų100.240%0.39753%0.532SS..Hα-helixtrans-64.4-39.4176.7172.3159.857.600112.8L62 G72 Q73 A80L62-Q76 HydrophobicContact CD1-CG 4.31Å; L62-Q76 HydrophobicContact CD2-CB 3.71Å; L62-Q76 HydrophobicContact CD2-CG 3.7Å; G72-Q76 WeakPolarHBondContact O-CB 3.35Å; G72-Q76 PolarHBondContact O-N 2.92Å; Q73-Q76 WeakPolarHBondContact O-CB 3.43Å; Q73-Q76 PolarHBondContact O-N 3.48Å; Q73-Q76 VanDerWaalsContact O-N 3.1Å; Q76-A80 WeakPolarHBondContact O-CB 3.45Å; Q76-A80 PolarHBondContact O-N 3.02Å
77E68.8Low63.8Low133 Ų13396.8 Ų96.862%0.62152%0.516SS*.Hα-helixtrans-70.7-42.5177.5-173.4154.5-152.500111.6Q73 D74 L79 A80 E81Q73-E77 PolarHBondContact O-N 2.96Å; D74-E77 PolarHBondContact O-N 2.84Å; E77-L79 PolarHBondContact O-N 3.38Å; E77-A80 PolarHBondContact O-N 2.96Å; E77-E81 WeakPolarHBondContact O-CB 3.42Å; E77-E81 PolarHBondContact O-N 3.29Å
78Q67.2Low64.4Low129 Ų12996.5 Ų96.560%0.60351%0.506SS*.Hα-helixtrans-62.9-38.8172.7-71.5178.1700112.5D74 E81 G82D74-Q78 WeakPolarHBondContact O-CB 3.42Å; D74-Q78 WeakPolarHBondContact O-CG 3.49Å; D74-Q78 PolarHBondContact O-N 3.45Å; Q78-E81 PolarHBondContact O-N 3.1Å; Q78-G82 PolarHBondContact O-N 3.35Å
79L70.4Confident65.1Low36 Ų3693.9 Ų93.919%0.18849%0.492CS..Hα-helixtrans-62.6-45.7171.7-101.455.5000111.7L58 L62 L75 E77 E81 G82 C83L58-L79 HydrophobicContact CB-CD2 3.78Å; L58-L79 HydrophobicContact CB-CG 4.1Å; L58-L79 HydrophobicContact CD1-CG 4.2Å; L58-L79 HydrophobicContact CD2-CD1 4.06Å; L58-L79 HydrophobicContact CD2-CD2 3.82Å; L58-L79 HydrophobicContact CD2-CG 3.8Å; L58-L79 HydrophobicContact CG-CD2 4.26Å; L58-L79 HydrophobicContact CG-CG 4.2Å; L62-L79 HydrophobicContact CD2-CB 4.2Å; L62-L79 HydrophobicContact CD2-CD2 3.53Å; L62-L79 HydrophobicContact CG-CD2 4.14Å; L75-L79 VanDerWaalsContact O-CB 3.31Å; L75-L79 WeakPolarHBondContact O-CB 3.4Å; L75-L79 WeakPolarHBondContact O-CD1 3.34Å; L75-L79 PolarHBondContact O-N 2.96Å; E77-L79 PolarHBondContact O-N 3.38Å; L79-E81 VanDerWaalsContact C-N 3.32Å; L79-E81 PolarHBondContact O-N 3.05Å; L79-G82 PolarHBondContact O-N 3.31Å; L79-C83 WeakPolarHBondContact O-CB 3.41Å; L79-C83 PolarHBondContact O-N 3.3Å; L79-C83 PolarHBondContact O-SG 3.04Å
80A69.4Low65.7Low40 Ų4090.3 Ų90.333%0.33148%0.484SS..Hα-helixtrans-67.2-32.617900000112.2Q76 E77 R84Q76-A80 WeakPolarHBondContact O-CB 3.45Å; Q76-A80 PolarHBondContact O-N 3.02Å; E77-A80 PolarHBondContact O-N 2.96Å; A80-R84 VanDerWaalsContact O-CG 3.27Å; A80-R84 WeakPolarHBondContact O-CG 3.27Å; A80-R84 PolarHBondContact O-N 2.94Å; A80-R84 VanDerWaalsContact O-N 3.11Å; A80-R84 PolarHBondContact O-NE 2.79Å
81E69.6Low65.6Low102 Ų10292.9 Ų92.948%0.47749%0.487SS..Hα-helixtrans-69.3-47.2170.2-167.9157-140.300112.2E77 Q78 L79 C83 R84 L85E77-E81 WeakPolarHBondContact O-CB 3.42Å; E77-E81 PolarHBondContact O-N 3.29Å; Q78-E81 PolarHBondContact O-N 3.1Å; L79-E81 VanDerWaalsContact C-N 3.32Å; L79-E81 PolarHBondContact O-N 3.05Å; E81-C83 VanDerWaalsContact C-N 3.29Å; E81-C83 PolarHBondContact O-N 3.05Å; E81-R84 WeakPolarHBondContact O-CB 3.49Å; E81-R84 PolarHBondContact O-N 3.24Å; E81-R84 VanDerWaalsContact O-N 3.1Å; E81-L85 HydrophobicContact CG-CD1 4.16Å; E81-L85 HydrophobicContact CG-CG 4.47Å; E81-L85 WeakPolarHBondContact O-CG 3.47Å; E81-L85 PolarHBondContact O-N 2.84Å
82G73.1Confident66.1Low39 Ų3992 Ų9240%0.40248%0.481SS..Hα-helixtrans-56.3-41.1173.600000113Q78 L79 L85 A86Q78-G82 PolarHBondContact O-N 3.35Å; L79-G82 PolarHBondContact O-N 3.31Å; G82-L85 PolarHBondContact O-N 2.92Å; G82-A86 WeakPolarHBondContact O-CB 3.37Å; G82-A86 PolarHBondContact O-N 2.92Å
83C69.6Low65.6Low28 Ų2896.2 Ų96.219%0.18949%0.493CS..Hα-helixtrans-65.5-42.2174.4-68.40000112.7L79 E81 A86 Q87L79-C83 WeakPolarHBondContact O-CB 3.41Å; L79-C83 PolarHBondContact O-N 3.3Å; L79-C83 PolarHBondContact O-SG 3.04Å; E81-C83 VanDerWaalsContact C-N 3.29Å; E81-C83 PolarHBondContact O-N 3.05Å; C83-A86 PolarHBondContact O-N 2.91Å; C83-Q87 VanDerWaalsContact O-CG 3.29Å; C83-Q87 WeakPolarHBondContact O-CG 3.31Å; C83-Q87 PolarHBondContact O-N 2.89Å
84R73Confident65.2Low133 Ų13393.4 Ų93.450%0.50249%0.486SS..Hα-helixtrans-62.1-44.4175-77.7174.5-72.3167.20.2111.5A80 E81 Q87 H88A80-R84 VanDerWaalsContact O-CG 3.27Å; A80-R84 WeakPolarHBondContact O-CG 3.27Å; A80-R84 PolarHBondContact O-N 2.94Å; A80-R84 VanDerWaalsContact O-N 3.11Å; A80-R84 PolarHBondContact O-NE 2.79Å; E81-R84 WeakPolarHBondContact O-CB 3.49Å; E81-R84 PolarHBondContact O-N 3.24Å; E81-R84 VanDerWaalsContact O-N 3.1Å; R84-Q87 PolarHBondContact O-N 2.84Å; R84-H88 WeakPolarHBondContact O-CB 3.18Å; R84-H88 PolarHBondContact O-N 3.03Å
85L62Low64.2Low105 Ų10593.9 Ų93.955%0.5550%0.495SS..Hα-helixtrans-64.7-40.9177.4-68.6171.6000111.9E81 G82 H88 L89E81-L85 HydrophobicContact CG-CD1 4.16Å; E81-L85 HydrophobicContact CG-CG 4.47Å; E81-L85 WeakPolarHBondContact O-CG 3.47Å; E81-L85 PolarHBondContact O-N 2.84Å; G82-L85 PolarHBondContact O-N 2.92Å; L85-H88 PolarHBondContact O-N 3.27Å; L85-L89 WeakPolarHBondContact O-CB 3.34Å; L85-L89 PolarHBondContact O-N 2.83Å
86A69.3Low63.2Low47 Ų4797.1 Ų97.139%0.38851%0.508SS..Hα-helixtrans-64.4-40.3174.700000112.5G82 C83 L89 V90G82-A86 WeakPolarHBondContact O-CB 3.37Å; G82-A86 PolarHBondContact O-N 2.92Å; C83-A86 PolarHBondContact O-N 2.91Å; A86-L89 PolarHBondContact O-N 3.36Å; A86-V90 WeakPolarHBondContact O-CG2 3.46Å; A86-V90 PolarHBondContact O-N 2.8Å
87Q63.5Low62Low116 Ų11699 Ų9954%0.54252%0.52SS..Hα-helixtrans-64.6-44.8175.1-73.8170.20.200112C83 R84 L89 V90 Q91C83-Q87 VanDerWaalsContact O-CG 3.29Å; C83-Q87 WeakPolarHBondContact O-CG 3.31Å; C83-Q87 PolarHBondContact O-N 2.89Å; R84-Q87 PolarHBondContact O-N 2.84Å; Q87-L89 VanDerWaalsContact C-N 3.31Å; Q87-L89 PolarHBondContact O-N 2.94Å; Q87-V90 PolarHBondContact O-N 3.32Å; Q87-V90 VanDerWaalsContact O-N 3.17Å; Q87-Q91 WeakPolarHBondContact O-CG 3.46Å; Q87-Q91 PolarHBondContact O-N 2.71Å
88H63.8Low60.9Low88 Ų8898.9 Ų98.941%0.40752%0.524SS..Hα-helixtrans-62.6-35.9175.7178.4-145.9000112.3R84 L85 Q91 K92R84-H88 WeakPolarHBondContact O-CB 3.18Å; R84-H88 PolarHBondContact O-N 3.03Å; L85-H88 PolarHBondContact O-N 3.27Å; H88-Q91 PolarHBondContact O-N 3.37Å; H88-K92 PolarHBondContact CE1-NZ 3.16Å; H88-K92 WeakPolarHBondContact NE2-CE 3.48Å; H88-K92 PolarHBondContact NE2-NZ 3.31Å; H88-K92 VanDerWaalsContact NE2-NZ 3.17Å; H88-K92 WeakPolarHBondContact O-CG 3.36Å; H88-K92 PolarHBondContact O-N 3.49Å
89L64.5Low59.6Low102 Ų10297.9 Ų97.953%0.53452%0.523SS..Hα-helixtrans-68.7-40.3172.1-17662.5000112.1L85 A86 Q87 Q91 K92 L93L85-L89 WeakPolarHBondContact O-CB 3.34Å; L85-L89 PolarHBondContact O-N 2.83Å; A86-L89 PolarHBondContact O-N 3.36Å; Q87-L89 VanDerWaalsContact C-N 3.31Å; Q87-L89 PolarHBondContact O-N 2.94Å; L89-Q91 VanDerWaalsContact C-N 3.32Å; L89-Q91 PolarHBondContact O-N 2.81Å; L89-K92 PolarHBondContact O-N 3.48Å; L89-L93 HydrophobicContact CD1-CD1 3.86Å; L89-L93 HydrophobicContact CD1-CG 4.08Å; L89-L93 HydrophobicContact CG-CD1 3.86Å; L89-L93 HydrophobicContact CG-CG 4.39Å; L89-L93 WeakPolarHBondContact O-CB 3.14Å; L89-L93 VanDerWaalsContact O-CG 3.31Å; L89-L93 WeakPolarHBondContact O-CG 3.48Å; L89-L93 PolarHBondContact O-N 2.86Å
90V70.8Confident58.6Low95 Ų95102.9 Ų102.958%0.57655%0.55SS**Hα-helixtrans-65.6-33.9174.7167.70000112A86 Q87 S94A86-V90 WeakPolarHBondContact O-CG2 3.46Å; A86-V90 PolarHBondContact O-N 2.8Å; Q87-V90 PolarHBondContact O-N 3.32Å; Q87-V90 VanDerWaalsContact O-N 3.17Å; V90-S94 PolarHBondContact O-N 3.17Å; V90-S94 PolarHBondContact O-OG 3.06Å
91Q55.7Low57.4Low134 Ų134107.1 Ų107.163%0.62657%0.567SS**Hα-helixtrans-64.2-49.7171.5-73.7167-26.300110.7Q87 H88 L89 L93 S94Q87-Q91 WeakPolarHBondContact O-CG 3.46Å; Q87-Q91 PolarHBondContact O-N 2.71Å; H88-Q91 PolarHBondContact O-N 3.37Å; L89-Q91 VanDerWaalsContact C-N 3.32Å; L89-Q91 PolarHBondContact O-N 2.81Å; Q91-L93 VanDerWaalsContact C-N 3.28Å; Q91-L93 PolarHBondContact O-N 2.88Å; Q91-S94 WeakPolarHBondContact O-CB 3.33Å; Q91-S94 PolarHBondContact O-N 3.43Å; Q91-S94 VanDerWaalsContact O-N 3.16Å
92K65.3Low56.6Low140 Ų140109.5 Ų109.561%0.60958%0.583SS**Hα-helixtrans-68.7-17.5178.1-73.6-177.6169.3177.30115.9H88 L89H88-K92 PolarHBondContact CE1-NZ 3.16Å; H88-K92 WeakPolarHBondContact NE2-CE 3.48Å; H88-K92 PolarHBondContact NE2-NZ 3.31Å; H88-K92 VanDerWaalsContact NE2-NZ 3.17Å; H88-K92 WeakPolarHBondContact O-CG 3.36Å; H88-K92 PolarHBondContact O-N 3.49Å; L89-K92 PolarHBondContact O-N 3.48Å
93L48.5Very low55.4Low134 Ų134115.1 Ų115.170%0.70260%0.599SS**THydrogen-bonded Turntrans-103.9-1.6174.7-64.6178.5000112.9L89 Q91L89-L93 HydrophobicContact CD1-CD1 3.86Å; L89-L93 HydrophobicContact CD1-CG 4.08Å; L89-L93 HydrophobicContact CG-CD1 3.86Å; L89-L93 HydrophobicContact CG-CG 4.39Å; L89-L93 WeakPolarHBondContact O-CB 3.14Å; L89-L93 VanDerWaalsContact O-CG 3.31Å; L89-L93 WeakPolarHBondContact O-CG 3.48Å; L89-L93 PolarHBondContact O-N 2.86Å; Q91-L93 VanDerWaalsContact C-N 3.28Å; Q91-L93 PolarHBondContact O-N 2.88Å
94S50.9Low54.1Low62 Ų62121.1 Ų121.143%0.43463%0.629SS.*SBendtrans-75.7142.1158.6-600000107.4V90 Q91 E96V90-S94 PolarHBondContact O-N 3.17Å; V90-S94 PolarHBondContact O-OG 3.06Å; Q91-S94 WeakPolarHBondContact O-CB 3.33Å; Q91-S94 PolarHBondContact O-N 3.43Å; Q91-S94 VanDerWaalsContact O-N 3.16Å; S94-E96 PolarHBondContact O-N 3.12Å; S94-E96 VanDerWaalsContact O-N 3.12Å
95P43.3Very low52.7Low122 Ų122119.3 Ų119.379%0.79263%0.633SS**PPolyproline II helixtrans-60.1121.2171.426.3-32.6000108.1N97P95-N97 PolarHBondContact O-N 3.31Å
96E40.4Very low51.7Low169 Ų169122.3 Ų122.379%0.7964%0.644SS**PPolyproline II helixtrans-60120.1177.4-155.6136.2-140.600107.3S94 D98S94-E96 PolarHBondContact O-N 3.12Å; S94-E96 VanDerWaalsContact O-N 3.12Å; E96-D98 PolarHBondContact O-N 3.3Å
97N43.6Very low50.2Low124 Ų124125.8 Ų125.866%0.66366%0.66SS**  trans-92.392.5178.6179103.4000105.8P95 N99P95-N97 PolarHBondContact O-N 3.31Å; N97-N99 PolarHBondContact ND2-OD1 3.23Å; N97-N99 PolarHBondContact O-N 2.75Å
98D45.3Very low49.2Very low132 Ų132128.9 Ų128.971%0.70667%0.674SS**  trans-58.676.4-177.1-56.7-30000112E96E96-D98 PolarHBondContact O-N 3.3Å
99N39.1Very low47.8Very low107 Ų107130.6 Ų130.657%0.57269%0.691SS**  trans-94.187.3160.1-78.816.5000106.6N97 D101N97-N99 PolarHBondContact ND2-OD1 3.23Å; N97-N99 PolarHBondContact O-N 2.75Å; N99-D101 PolarHBondContact O-N 3.36Å
100D50Low46.2Very low142 Ų142129.5 Ų129.576%0.75970%0.697SS**  trans-68.774162.5-67.7-44.6000108.6D102D100-D102 PolarHBondContact O-N 3.35Å
101D44.2Very low44.4Very low128 Ų128131.9 Ų131.968%0.68470%0.701SS**  trans-75.770.7173.4-75.8-40.3000109.2N99 E103N99-D101 PolarHBondContact O-N 3.36Å; D101-E103 VanDerWaalsContact C-N 3.26Å; D101-E103 PolarHBondContact O-N 2.98Å
102D53.1Low43.2Very low153 Ų153133 Ų13382%0.81870%0.704SS**  trans-63.174.3173.4-90.8-30.8000111.6D100D100-D102 PolarHBondContact O-N 3.35Å
103E47.8Very low41.6Very low156 Ų156131.4 Ų131.473%0.72971%0.706SS**  trans-110.749.1179-78.8-72.9-172.300113.1D101 V105D101-E103 VanDerWaalsContact C-N 3.26Å; D101-E103 PolarHBondContact O-N 2.98Å; E103-V105 PolarHBondContact O-N 3.4Å; E103-V105 VanDerWaalsContact O-N 3.12Å
104D43.2Very low40.6Very low154 Ų154131.6 Ų131.682%0.82470%0.703SS**  trans-84.355.8168.1-152.77.5000111.1
105V41.7Very low39.4Very low96 Ų96136.7 Ų136.758%0.58272%0.718SS**  trans-103.298.9179.3-177.10000111.4E103 V107E103-V105 PolarHBondContact O-N 3.4Å; E103-V105 VanDerWaalsContact O-N 3.12Å; V105-V107 HydrophobicContact CG1-CG2 4.17Å; V105-V107 PolarHBondContact O-N 3.07Å
106Q41.8Very low38.5Very low167 Ų167135.8 Ų135.878%0.7871%0.714SS**  trans-64.8112.5166.4-63179.112.700110.9E108Q106-E108 PolarHBondContact O-N 3.38Å
107V38Very low37.8Very low120 Ų120132.9 Ų132.973%0.72771%0.712SS**  trans-95.468170.5-169.70000110.5V105 V109V105-V107 HydrophobicContact CG1-CG2 4.17Å; V105-V107 PolarHBondContact O-N 3.07Å; V107-V109 HydrophobicContact CG1-CB 4.42Å; V107-V109 HydrophobicContact CG1-CG2 3.86Å; V107-V109 PolarHBondContact O-N 2.85Å
108E41.7Very low37.3Very low181 Ų181131.6 Ų131.685%0.84672%0.719SS**  trans-73.896.9162.4-87.7-142.4134.800110.1Q106Q106-E108 PolarHBondContact O-N 3.38Å
109V34.8Very low36.6Very low125 Ų125131.7 Ų131.776%0.75873%0.727SS**  trans-140.4119.9173.8-1790000109.4V107V107-V109 HydrophobicContact CG1-CB 4.42Å; V107-V109 HydrophobicContact CG1-CG2 3.86Å; V107-V109 PolarHBondContact O-N 2.85Å
110A31.5Very low36.1Very low79 Ų79136.7 Ų136.765%0.65374%0.738SS**  cis-154.9145-13.300000111.1
111E31.9Very low35Very low145 Ų145135.9 Ų135.968%0.67873%0.729SS**  33.7115.7129-146.4-147.9146.100119.1
112K32.1Very low34.2Very low158 Ų158139.4 Ų139.469%0.68774%0.744SS**  172.8126.2103.3-91.2-175.4172.570.70116.2
113V31.9Very low33Very low105 Ų105139.5 Ų139.564%0.63674%0.74SS**  trans77.994130.2-179.90000120.9
114Q26.8Very low32Very low139 Ų139140.9 Ų140.965%0.6574%0.743SS**  72135.6121.2-65.2-178.728.200124
115K24.4Very low31.4Very low169 Ų169138.3 Ų138.374%0.73574%0.743SS**  trans7595.8136.5-74.2167.4-174.9158.70120.2
116S25.8Very low30.8Very low102 Ų102141.4 Ų141.471%0.71375%0.751SS**  119.1161.195.176.30000118.1
117S25.8Very low30.1Very low109 Ų109140.7 Ų140.776%0.76275%0.748SS**  trans77114.5154.4-51.50000117.3
118A33.4Very low29.9Very low97 Ų97142.3 Ų142.380%0.80275%0.746SS**  trans-78.7146.217000000111.6
119P30.5Very low29.2Very low134 Ų134141.9 Ų141.987%0.8774%0.744SS**  trans-83.6114170.132-30.7000110.7
120R27.6Very low29Very low211 Ų211141.5 Ų141.580%0.79674%0.741SS**  trans-95.2144.3159.4-145.1-165.7-165.2-142.915.6107.9
121E26.3Very low29.6Very low126 Ų126143.7 Ų143.759%0.58975%0.748SS**  trans48.4109161.7-67.2173.594.900118.3
122M27.9Very low29.6Very low202 Ų202144.7 Ų144.7100%0.99575%0.753SS**  trans-134.3129.5135.4-129.6178.6-173.800110
123Q28Very low29.5Very low155 Ų155144.8 Ų144.872%0.72476%0.761SS**  trans-101.3164.1-173.9-58.5178.5-1.700111.4
124K27.5Very low29.7Very low185 Ų185144.1 Ų144.180%0.80476%0.761SS**  trans81.198140-163.1-178-177.4-176.40119.3
125A30.6Very low29.9Very low100 Ų100143.9 Ų143.983%0.82676%0.764SS**  trans-145.3102.9131.500000105.8
126E29.6Very low30.3Very low160 Ų160143 Ų14375%0.74876%0.762SS**  92.781.767.9-169.2165.4154.200112.9
127E27.1Very low30.5Very low153 Ų153146.4 Ų146.472%0.71577%0.767SS**  trans65.4147.9137.3-141.2-178.1-12900121.4
128K32.4Very low30.7Very low154 Ų154146.7 Ų146.767%0.6777%0.768SS**  trans81.5140.8163-50.1-171.2-169.3-173.70117.2
129E27.9Very low30.3Very low172 Ų172145.6 Ų145.680%0.80476%0.759SS**  cis-149.1157.8-8.6-124.8163.8148.200110.6
130V30Very low30.2Very low117 Ų117146.6 Ų146.671%0.70976%0.755SS**  trans-100.4137.3177.6176.90000107.8E132V130-E132 HydrophobicContact CG1-CG 4.16Å; V130-E132 VanDerWaalsContact CG1-N 3.34Å
131P43.3Very low30.1Very low124 Ų124142 Ų14281%0.80575%0.751SS**  -124.7129.6106.7-222.7000113.6
132E33.2Very low30Very low167 Ų167145.9 Ų145.978%0.7876%0.762SS**  trans-78.8156.1146.5-59.8170.3122.500108.7V130V130-E132 HydrophobicContact CG1-CG 4.16Å; V130-E132 VanDerWaalsContact CG1-N 3.34Å
133D29.7Very low29.9Very low159 Ų159141.4 Ų141.485%0.8575%0.75SS**  trans-180141.1153.6-97.9-29.3000106.9
134S35.5Very low30Very low92 Ų92141.7 Ų141.764%0.64376%0.757SS**  cis-169.7170.6-11.448.60000106.3
135L32.2Very low30.1Very low134 Ų134137.9 Ų137.970%0.70275%0.753SS**  cis-156.3168.426.5-79.9169.5000110.8
136E32.6Very low30.1Very low149 Ų149142.2 Ų142.270%0.69676%0.756SS**  trans59.2151.4151.9-9869.6-100.600120.5
137E29.9Very low29.9Very low174 Ų174138.1 Ų138.181%0.81376%0.757SS**  cis-146154-9.1-161.6170.7169.800112.6
138C29.5Very low29.9Very low116 Ų116135.7 Ų135.778%0.78476%0.757SS**  trans-45.8170.7159-700000116.8
139A25.3Very low29.5Very low74 Ų74138.3 Ų138.361%0.61276%0.764SS**  cis-178.4149.3-23.400000111.7
140I27.6Very low29.3Very low154 Ų154136.2 Ų136.279%0.7976%0.758SS**  trans53.1127.2148.1-52.6152.2000119.9
141T27.1Very low29.3Very low116 Ų116134.3 Ų134.371%0.71275%0.75SS**  177.2140.1118.628.50000117.8
142Y24.4Very low28.6Very low207 Ų207135.4 Ų135.481%0.81275%0.749SS**  trans62.7115.9141.3-71.2-52000126.8
143S25.7Very low28.5Very low107 Ų107136 Ų13675%0.74875%0.752SS**  87145.9115.9-69.80000124.6
144N29Very low29.2Very low162 Ų162132.5 Ų132.587%0.86674%0.738SS**  trans-76.5152171.5-62.2-24.5000114.7
145S30.8Very low28.7Very low104 Ų104135.2 Ų135.273%0.72774%0.74SS**  trans-159.4128.9140.553.50000108.7
146H29.2Very low28.6Very low192 Ų192138.8 Ų138.889%0.88974%0.744SS**  47.4129.478-75.9-72.5000113.5
147G26.2Very low28.3Very low74 Ų74141.2 Ų141.276%0.76375%0.752SS**  cis-163.5-152.8-1.200000108.6
148S25.9Very low28.2Very low102 Ų102140.1 Ų140.171%0.71376%0.757SS**  cis177.5128.912.4165.10000110.9
149Y23.8Very low28.1Very low209 Ų209140.7 Ų140.782%0.8275%0.746SS**  trans63.4163.2156.1-78.2-113.2000117.7
150D25.7Very low28.2Very low128 Ų128143.8 Ų143.868%0.68475%0.751SS**  cis-151.5161.41.5-148.1-5.5000115.1
151S29.1Very low28.1Very low76 Ų76141.9 Ų141.953%0.53175%0.747SS.*  trans46.5128139.9-99.30000127
152N28.8Very low28Very low148 Ų148144.5 Ų144.579%0.79175%0.749SS**  102.3106.6123.8-65.7-14.8000123.3
153Q31.7Very low28.1Very low180 Ų180140.9 Ų140.984%0.84174%0.739SS**  trans-38.1-178134.5-95-1672100116.2
154P42.4Very low28.7Very low85 Ų85144.1 Ų144.155%0.55274%0.743SS**  cis-134.4-166.95.518.212000113.2
155H26.3Very low28.5Very low148 Ų148143 Ų14369%0.68574%0.737SS**  cis-173.314549.1-98.2-47.9000115.4
156R28.8Very low28.2Very low210 Ų210146 Ų14679%0.79274%0.737SS**  trans53.1106.7139.7-60.7176.5-178.9-162.80.2119.2
157K27.1Very low28.1Very low200 Ų200142.9 Ų142.987%0.8773%0.731SS**  64.7118.882.3-73.1-171.2176.8-171.30116.8
158T27.7Very low27.9Very low150 Ų150145.7 Ų145.792%0.9273%0.728SS**  -150.2169.6119.7-69.50000108
159K26.9Very low27.8Very low128 Ų128145.3 Ų145.356%0.55773%0.726SS**  trans-142166.1-164.1-153.2-168.5-179.3-174.80108.7
160I27.6Very low27.9Very low139 Ų139141.2 Ų141.271%0.71372%0.722SS**  trans72.6146.1160.4-64.1163.7000114.8
161T25.9Very low27.9Very low114 Ų114142.6 Ų142.670%0.69973%0.729SS**  cis-170.1179.2-35.544.40000106.5
162F24.3Very low27.8Very low171 Ų171146.7 Ų146.775%0.7574%0.743SS**  trans98123.7138.8-135.9-124.5000118.9
163E26.3Very low27.7Very low131 Ų131142.8 Ų142.861%0.61274%0.738SS**  trans88.2132.7140-117.465.1154.900124.9
164E38.4Very low27.6Very low175 Ų175139.9 Ų139.982%0.81874%0.737SS**  trans-59.1141.4157.3-55.3172.882.300110.3
165D26.2Very low27.2Very low139 Ų139141.1 Ų141.174%0.74375%0.748SS**  trans-139.5126.7132.5-146.811.1000111.9
166K24.2Very low27.2Very low168 Ų168139 Ų13973%0.7375%0.75SS**  trans-0.5139.1151.6-73165.3-166135.60120.1
167V25.5Very low27Very low125 Ų125137.2 Ų137.276%0.75875%0.75SS**  trans21.4153138.2-61.10000122
168D23.6Very low27.1Very low134 Ų134132.5 Ų132.572%0.71774%0.738SS**  trans84.982153.2-77.8-52.4000120.4
169S23.7Very low27.1Very low94 Ų94132.4 Ų132.466%0.65773%0.727SS**  87.3146102.7-710000121.1
170T24.7Very low27.1Very low122 Ų122136.2 Ų136.275%0.74874%0.738SS**  trans76.7115.9154.528.10000121.7
171L25.6Very low27.1Very low157 Ų157137.2 Ų137.282%0.82274%0.74SS**  trans70.9141.8139-109.665.4000117.5
172I27.9Very low27.3Very low162 Ų162139.1 Ų139.183%0.83175%0.746SS**  cis-143.3142.118.6-56.8169.8000109.8
173G27.6Very low27.4Very low66 Ų66134.6 Ų134.668%0.6874%0.74SS**  trans167.988.4162.100000117.9
174S29.6Very low27.6Very low119 Ų119134.7 Ų134.783%0.83275%0.749SS**  trans65.1125.5171.3-53.40000116
175S33.2Very low27.3Very low112 Ų112134.4 Ų134.478%0.78375%0.747SS**  cis69.6123.947.8-1680000113.2
176S26.9Very low27.6Very low102 Ų102135.5 Ų135.571%0.71375%0.752SS**  cis-164.9129.1-13.731.90000106.4
177H24.2Very low28Very low173 Ų173133.4 Ų133.480%0.80175%0.747SS**  63.7101.772.1-162.8-100.4000116.3
178V28.3Very low28.6Very low101 Ų101132.8 Ų132.861%0.61275%0.746SS**  trans114.5141.4137.8109.30000121.6
179E28.8Very low28.8Very low149 Ų149134.5 Ų134.570%0.69675%0.749SS**  trans70.9164156.9-74.7174.6170.100122.6
180W27Very low29Very low208 Ų208138 Ų13879%0.78876%0.761SS**  trans71.5109.9175.9-51.682.6000114.6
181E27.8Very low29.3Very low160 Ų160140.8 Ų140.875%0.74877%0.765SS**  cis90.4131.649.3-77.1-160.6155.400114.2
182D28.7Very low29.5Very low154 Ų154137.7 Ų137.782%0.82476%0.757SS**  trans63.4174.1150.5-158.729.4000119.7
183A27.2Very low29.8Very low76 Ų76137 Ų13763%0.62876%0.755SS**  trans67.5103.4170.800000116.3
184V30.2Very low30.2Very low132 Ų132141 Ų14180%0.876%0.761SS**  90.3149.770.2162.60000112.8
185H33.2Very low30.6Very low169 Ų169143.7 Ų143.778%0.78276%0.76SS**  trans-52.9141.6178.5-52.7-69.5000113.4
186I31.4Very low30.8Very low162 Ų162146.2 Ų146.283%0.83176%0.76SS**  trans-118.8110.9145.5-64.3-178000107.4
187I33.8Very low31.2Very low125 Ų125149.4 Ų149.464%0.64176%0.763SS**  trans-73.3139.3163-60.4169.9000106.2E189I187-E189 PolarHBondContact O-N 3.18Å
188P37.9Very low31.6Very low112 Ų112148.4 Ų148.473%0.72776%0.759SS**  trans-66.8100.6164.228.3-32000108.6
189E26.3Very low31.7Very low169 Ų169150.2 Ų150.279%0.7976%0.76SS**  trans-64.4133175.9-67.2170.9133.300110.2I187I187-E189 PolarHBondContact O-N 3.18Å
190N29.6Very low31.9Very low168 Ų168150.3 Ų150.390%0.89876%0.759SS**  trans-97.787.7172.6-80.1-15.6000109.5
191E30.5Very low31.9Very low181 Ų181143.1 Ų143.185%0.84675%0.749SS**  trans-111148.1156.5-63.6-170.8150.600107.8
192S29.3Very low32.6Very low92 Ų92141.2 Ų141.264%0.64375%0.751SS**  cis-144.3163.3-0.155.50000110.2
193D34.3Very low32.5Very low148 Ų148140.3 Ų140.379%0.79175%0.75SS**  -179.1139.3111.9-91.37.2000110
194D35.1Very low32.6Very low149 Ų149142 Ų14280%0.79776%0.757SS**  trans-81.4163.9-168.4-52.9-86.1000114.3
195E39.4Very low33.7Very low175 Ų175140.9 Ų140.982%0.81875%0.753SS**  -167.5160.6112.8-96.2-64.2-17900110.5
196E36.5Very low33.4Very low166 Ų166144.9 Ų144.978%0.77676%0.761SS**  trans-77.6157.2-158.9-58.5-179.4140.200116.9
197E35.6Very low33.3Very low169 Ų169144.3 Ų144.379%0.7976%0.76SS**  -179.5162114.2-95.5-73.6-170.600114
198E33.4Very low33.1Very low151 Ų151145.7 Ų145.771%0.70677%0.768SS**  trans-54.9127.9-158.3-76-169.5-179.900120K200E198-K200 IonicContact OE2-NZ 3.55Å; E198-K200 PolarHBondContact OE2-NZ 3.33Å
199E30.8Very low32.7Very low139 Ų139147.4 Ų147.465%0.6577%0.766SS**  28.9124.3108.7-164.6-134.3-132.400119.2
200K31.6Very low32.9Very low152 Ų152146.7 Ų146.766%0.66176%0.763SS**  -158.3120128.6-79.2-49.3152.3-81.30113.1E198E198-K200 IonicContact OE2-NZ 3.55Å; E198-K200 PolarHBondContact OE2-NZ 3.33Å
201G26.5Very low33.1Very low56 Ų56143.7 Ų143.758%0.57775%0.754SS**  trans-122.9-164.4140.900000108.8
202P44Very low33.1Very low121 Ų121142.7 Ų142.779%0.78675%0.75SS**  cis-134.1-179.8-39.239.3-24.4000112.5
203V26.1Very low33.1Very low134 Ų134146 Ų14681%0.81276%0.755SS**  trans68.9104.4162-170.80000119.9
204S30.1Very low33Very low111 Ų111147.1 Ų147.178%0.77676%0.756SS**  trans47172.2132.5-111.70000123.2
205P52.6Low32.8Very low109 Ų109147.9 Ų147.971%0.70876%0.755SS**  cis-128174.2-28.839.9-26.6000113.1
206R27.2Very low32.3Very low253 Ų253146.2 Ų146.296%0.95576%0.756SS**  trans-165.1169149.8-114.1160.9-165.4-167.83115.9
207N28Very low32.6Very low151 Ų151142.2 Ų142.281%0.80774%0.744SS**  trans-119.3-178.3-171.7-103.3-81.9000111.6
208L30.7Very low32.2Very low154 Ų154141.4 Ų141.481%0.80674%0.74SS**  trans83.9141.2169.6-56.1-179.1000115.3
209Q29.6Very low31.9Very low147 Ų147141.7 Ų141.769%0.68774%0.742SS**  cis-164.7148.7-10.4-165.1177.1-72.500107.1
210E29.3Very low32Very low155 Ų155140.5 Ų140.572%0.72475%0.749SS**  169.6119.198.5-89.5180165.900106.9
211S33.9Very low31.7Very low104 Ų104143.2 Ų143.273%0.72776%0.755SS**  71.8148.7104.172.10000115
212E30.8Very low31.9Very low161 Ų161148 Ų14875%0.75277%0.768SS**  cis-135.4150.622.1-69.3163.1119.800113.6
213E29.5Very low31.3Very low160 Ų160149.7 Ų149.775%0.74877%0.765SS**  trans58.8128.7136.2-64.2174.2-179.900121.4
214E31.7Very low31.4Very low173 Ų173146.1 Ų146.181%0.80876%0.755SS**  76.3134.771.6-141.5175.3-157.600112
215E31.4Very low31.5Very low165 Ų165152.5 Ų152.577%0.77176%0.764SS**  cis-120.9160.214.4-74.9178.599.900115.1
216V29.7Very low30.7Very low139 Ų139152.8 Ų152.884%0.84277%0.768SS**  trans-117.9132.1149.5164.30000105.2
217P42.3Very low30.8Very low83 Ų83146.8 Ų146.854%0.53976%0.76SS.*  -154.3146.2112.935.9-16.4000119.5
218Q26.7Very low30.7Very low151 Ų151145.2 Ų145.271%0.70675%0.751SS**  trans73.7136.5131-72.9166.7-98.900123.2
219E28.4Very low30.6Very low158 Ų158142 Ų14274%0.73874%0.741SS**  trans68.2139.3142.4-69160.3-146.100117.9
220S31.2Very low30.9Very low113 Ų113141.2 Ų141.279%0.7974%0.74SS**  cis-152.3-17936.353.10000114.3
221W26Very low30.9Very low209 Ų209139.4 Ų139.479%0.79274%0.742SS**  trans-85.8153-177.5-61.770.6000113.4
222D31.6Very low31Very low158 Ų158139.9 Ų139.985%0.84574%0.743SS**  168.7116.8129.3-86.6-8.5000107.1
223E30.8Very low31.2Very low156 Ų156141.4 Ų141.473%0.72975%0.75SS**  cis72.776.539.1-152.673.6-96.500113.7
224G28.5Very low31.2Very low58 Ų58142 Ų14260%0.59876%0.755SS**  trans89.189.8146.200000119.7
225Y32.2Very low31Very low245 Ų245141.2 Ų141.296%0.96176%0.755SS**  trans-143.387.4146.8-89.3-69.3000112.3
226S34.7Very low30.9Very low115 Ų115138.1 Ų138.180%0.80476%0.758SS**  trans-87.4128.8166.6-70.10000111
227T29.6Very low30.8Very low127 Ų127136.8 Ų136.878%0.77976%0.755SS**  -177.3123.7127.522.30000113.1
228L26.6Very low30.3Very low119 Ų119144.3 Ų144.362%0.62377%0.774SS**  trans46.4123.5152.3-74.779.6000120.5N843L228-N843 HydrophobicContact CD2-CB 4.2Å
229S28.7Very low30.2Very low86 Ų86145.4 Ų145.460%0.60178%0.779SS**  -160.5143.691.4-136.60000113.4
230I35.7Very low30.2Very low131 Ų131141.9 Ų141.967%0.67277%0.772SS**  trans-82.8147.4-178.7-61.2157000111
231P29.4Very low30.1Very low117 Ų117146.6 Ų146.676%0.7677%0.774SS**  -119.8155.8122.935.9-32.8000111.9
232P34.6Very low30.1Very low114 Ų114141.1 Ų141.174%0.7477%0.767SS**  trans-87.3165.1-162.635.4-38000114.9M234P232-M234 PolarHBondContact O-N 2.97Å; P232-M234 VanDerWaalsContact O-N 3.13Å
233E36.6Very low29.9Very low193 Ų193138 Ų13890%0.90276%0.758SS**SBendtrans-70.595.2167.8-64.1-177.7132.600111.8
234M28.7Very low29.9Very low173 Ų173135.4 Ų135.485%0.85275%0.753SS**  trans-175.5173.1139.1-115.3-174.7-81.800113P232P232-M234 PolarHBondContact O-N 2.97Å; P232-M234 VanDerWaalsContact O-N 3.13Å
235L28.5Very low29.9Very low155 Ų155141.3 Ų141.381%0.81276%0.762SS**  trans7783.5170-50.5-171.6000117
236A27.9Very low29.6Very low101 Ų101138.7 Ų138.784%0.83576%0.759SS**  24115.3119.400000118.3
237S28.1Very low29.4Very low110 Ų110138.6 Ų138.677%0.76976%0.758SS**  trans-145.482152.6-179.30000111.4
238Y31Very low29.5Very low241 Ų241140.8 Ų140.895%0.94576%0.764SS**  trans-128.966.8154.5-133.8-93.1000110.3
239Q26.1Very low29.6Very low175 Ų175143.7 Ų143.782%0.81878%0.775SS**  trans-120.5143.2168.9-93.1-154.92000108.6
240S27.9Very low29.7Very low83 Ų83148 Ų14858%0.5879%0.785SS**  cis-162.7-171.3-6.4-165.40000110.2
241Y29Very low29.4Very low212 Ų212150.8 Ų150.883%0.83180%0.795SS**  trans84.5133.1167.5-62.3-89.7000118.1
242S26Very low29.4Very low94 Ų94153.5 Ų153.566%0.65780%0.798SS**  cis-171.6179.8-19.761.80000107.3
243S27.1Very low29Very low93 Ų93154.5 Ų154.565%0.6580%0.802SS**  cis-175.1155.210.215.20000106.3
244T31.8Very low28.6Very low101 Ų101151 Ų15162%0.6280%0.797SS**  cis-167.7177-12.225.60000104.9
245F26.9Very low28.5Very low182 Ų182151.9 Ų151.980%0.79880%0.801SS**  cis-138.2-146.421.6-61.6-97.1000110.3
246H26.4Very low28.5Very low190 Ų190148.5 Ų148.588%0.8880%0.796SS**  trans-144.8162.4-176.8-75.9-95.8000111.7
247S30.5Very low28.4Very low114 Ų114149.9 Ų149.980%0.79779%0.794SS**  trans-98.4153.8161.8-39.20000110.5
248L31.6Very low28.4Very low173 Ų173150.7 Ų150.791%0.90679%0.789SS**  trans-169.7177.9134.5-150.554.3000111.7
249E28.8Very low28.2Very low180 Ų180145.8 Ų145.884%0.84178%0.778SS**  trans86.7131.5164.7-138.5148.6-127.600114.3
250E30.3Very low28.2Very low176 Ų176141 Ų14182%0.82278%0.775SS**  cis-114.215015.3-57.4172.511400114.6
251Q30.3Very low28.1Very low189 Ų189147.2 Ų147.288%0.88379%0.786SS**  trans-146.6124.2151.5-166.5171.617.300110.1
252Q29.8Very low28.1Very low175 Ų175145 Ų14582%0.81878%0.783SS**  trans-79.2134.9-173.3-63.3176.71.700112.4
253V24.8Very low28.2Very low135 Ų135149.6 Ų149.682%0.81879%0.786SS**  trans-138.6125.2162.7-179.20000109.3
254C29.3Very low28.1Very low118 Ų118154.5 Ų154.580%0.79779%0.79SS**  trans-85.4135.7172.3-62.10000110.9
255M27.1Very low28Very low192 Ų192154.2 Ų154.295%0.94679%0.785SS**  trans-163.1158135.4-110-172.4-62.200111.3
256A27.6Very low28Very low85 Ų85153.1 Ų153.170%0.70278%0.782SS**  trans-112.7174.4-162.800000113.2
257V25.9Very low28Very low130 Ų130149.8 Ų149.879%0.78878%0.775SS**  trans73.6136.3148156.20000115.1
258D27.6Very low27.9Very low127 Ų127153.3 Ų153.368%0.67978%0.776SS**  cis-155.8172.515.6-141.8-9.6000116.4
259I26.7Very low28Very low137 Ų137152.2 Ų152.270%0.70376%0.764SS**  trans47.6114152.3-69153.1000120.3
260G26.6Very low28.1Very low74 Ų74150 Ų15076%0.76375%0.754SS**  trans-144.9118.7146.900000110.3
261R26.9Very low28.1Very low215 Ų215147.1 Ų147.181%0.81174%0.744SS**  trans-83.2179.7174.6-70.4-173.9-177.8-97.62.9109.1
262H28.9Very low28.1Very low165 Ų165145.9 Ų145.976%0.76474%0.738SS**  cis-171.5148.736.90-102000113.3
263R26.4Very low28.1Very low191 Ų191146.3 Ų146.372%0.72174%0.74SS**  trans56.1147.8146.6-66.9-178.4-174.5-99.30.4118
264W26.5Very low28.3Very low195 Ų195143.4 Ų143.474%0.73973%0.73SS**  cis-170173.57.7-128-23.7000107.8
265D29.8Very low28.3Very low96 Ų96144.1 Ų144.151%0.51373%0.731SS.*  cis-163.7175.7-2.8-1609.7000110
266Q25.6Very low28.4Very low158 Ų158138.4 Ų138.474%0.73872%0.721SS**  trans67.5151.4152.1-79.516370.700120.6
267V26.2Very low29.2Very low121 Ų121139.7 Ų139.773%0.73372%0.723SS**  cis-168.2165.2-30.4102.20000110.7
268K29.6Very low29.5Very low188 Ų188144 Ų14482%0.81773%0.725SS**  trans88.1157.4175.5-60.4-168.5-175.6177.10116.9
269K34.2Very low29.6Very low149 Ų149145 Ų14565%0.64873%0.73SS**  cis178.4151.4-43.1-133.1-179.5140.2-133.70108.4
270E30.4Very low30Very low133 Ų133144.4 Ų144.462%0.62174%0.737SS**  trans64.9142158.9-71155.8148.900115
271D30.3Very low30.4Very low116 Ų116150.1 Ų150.162%0.6274%0.736SS**  cis-145.6144.5-5.5-95.6-36.6000107.7
272Q30Very low30.7Very low164 Ų164146.3 Ų146.377%0.76673%0.727SS**  88.1137.661.6-150177.113000113
273E30.1Very low30.8Very low184 Ų184145.2 Ų145.286%0.8673%0.726SS**  trans68.2149177.9-63-152.1112.100118.6
274A29.2Very low31.2Very low73 Ų73143.7 Ų143.760%0.60373%0.731SS**  cis-166173.5-21.700000111.9
275T28.1Very low31.4Very low133 Ų133141.8 Ų141.882%0.81674%0.736SS**  trans69.5104.2153-48.50000119.5
276G30Very low31.7Very low72 Ų72144.8 Ų144.874%0.74275%0.747SS**  trans-106.2160.3150.200000111.7
277P43.9Very low32Very low112 Ų112146.5 Ų146.573%0.72775%0.751SS**  trans-144.6129.4132.334.7-18.4000113.3
278R31.6Very low32.3Very low222 Ų222143.8 Ų143.884%0.83875%0.748SS**  99.5117.476.5-81.1-177.3172.1-153.6-2.6115.6
279L30.1Very low32.8Very low148 Ų148140.3 Ų140.378%0.77575%0.745SS**  trans57.1120.5130.3-52.4171.7000121.9
280S35.3Very low32.6Very low123 Ų123141.7 Ų141.786%0.8675%0.754SS**  trans171.4163.9131.6-79.20000113.6
281R34.5Very low32.6Very low195 Ų195141 Ų14174%0.73676%0.758SS**  cis-171137.9-47.2-142.8-178.4130104.12.6112.3
282E34Very low32.7Very low135 Ų135142.6 Ų142.663%0.63177%0.766SS**  trans74.9148.7143.7-122.2162.8-166.400124.8
283L31.6Very low32.7Very low142 Ų142142.3 Ų142.374%0.74377%0.765SS**  trans69.6132.1165.8-52.6177.8000118
284L34.2Very low32.6Very low158 Ų158139.7 Ų139.783%0.82776%0.757SS**  cis73.9117.731.5-64.6171.9000116
285D30.6Very low32.8Very low155 Ų155141.6 Ų141.683%0.82977%0.766SS**  -168.6176.195-138.2-22.5000113.3
286E35.3Very low32.9Very low160 Ų160142.6 Ų142.675%0.74877%0.765SS**  trans-86152.7-174.1-54.6179132.800116.6
287K32.5Very low32.8Very low193 Ų193146.9 Ų146.984%0.83977%0.771SS**  159.8145.1116.5-90.8176.8-178.9177.40116.9
288G32.3Very low32.1Very low65 Ų65150.9 Ų150.967%0.6777%0.772SS**  trans-97.6-166.3152.100000111.5
289P41.5Very low31.9Very low115 Ų115146.3 Ų146.375%0.74777%0.772SS**  cis-139.7-152.427.440.8-19000114.1
290E29.5Very low31.8Very low177 Ų177149.3 Ų149.383%0.82778%0.775SS**  trans74.1150.8164.4-71.7166.3-16700119
291V30.8Very low31.4Very low118 Ų118149.2 Ų149.272%0.71577%0.774SS**  -176.7122-52.7137.70000107.7
292L30.7Very low31.3Very low151 Ų151146.4 Ų146.479%0.79178%0.779SS**  trans49.7161.2148.6-54.2178.9000119
293Q30.4Very low31.4Very low157 Ų157145 Ų14573%0.73478%0.782SS**  cis-150.6149.936-80.7-176.1-96.700114
294D29.4Very low31.2Very low129 Ų129143.5 Ų143.569%0.6978%0.783SS**  trans57.3156.2133.9-51.6-21.5000120.8
295S31.6Very low30.7Very low114 Ų114139.1 Ų139.180%0.79778%0.776SS**  cis-134.2153.69.6580000114.4
296L31.8Very low30.3Very low153 Ų153137.9 Ų137.980%0.80178%0.778SS**  trans-80.9146.9152-75.3160.1000108.7
297D28.1Very low30Very low163 Ų163138.4 Ų138.487%0.87279%0.785SS**  -148.3167.3116.5-153.84.9000111.3
298R29.3Very low30.1Very low196 Ų196137.5 Ų137.574%0.7478%0.783SS**  trans-147.1125.3-165.9168.9-154.2-65.4179.5-2.2108.9
299C26.4Very low29.9Very low125 Ų125142.4 Ų142.485%0.84579%0.794SS**  trans-168.4161.1140.2-111.20000115.4
300Y28Very low29.2Very low212 Ų212142.2 Ų142.283%0.83179%0.79SS**  trans-79.4154179-62.5-103.9000112.3
301S27Very low29.1Very low121 Ų121141 Ų14185%0.84679%0.789SS**  172.9145.1114.2-74.10000112.9
302T33.3Very low28.8Very low136 Ų136141.2 Ų141.283%0.83480%0.796SS**  trans-94151.5163-28.40000108.9
303P34.7Very low28.7Very low106 Ų106139.7 Ų139.769%0.68880%0.797SS**  -153.6167.7105.239.3-22.4000116.3
304S27.2Very low28.4Very low110 Ų110140.5 Ų140.577%0.76980%0.801SS**  trans45.6134.3150.357.70000120.9
305G24Very low28.9Very low66 Ų66138.8 Ų138.868%0.6880%0.797SS**  cis89.5141.221.200000111.8
306C23Very low28.4Very low128 Ų128143.7 Ų143.787%0.86580%0.799SS**  cis-148.8-1780.8-71.80000109.9
307L29.5Very low28Very low171 Ų171147.4 Ų147.490%0.89580%0.803SS**  trans-145.6122.2166.7-131.6176.3000110.2
308E34.3Very low27.9Very low174 Ų174143.8 Ų143.881%0.81379%0.79SS**  trans-106.1145.7-176.5-59.3162.411300111.2
309L27.2Very low27.9Very low169 Ų169138.8 Ų138.889%0.88579%0.79SS**  trans-151.9105.1150.4-85-169.3000111.5
310T27.2Very low27.8Very low110 Ų110141.4 Ų141.468%0.67579%0.788SS**  trans11.2137.314931.20000123.7
311D26.8Very low27.8Very low151 Ų151142 Ų14281%0.80779%0.79SS**  trans62.8108.1133.7-53.1-16.8000122.7
312S25.6Very low27.8Very low123 Ų123141.9 Ų141.986%0.8678%0.784SS**  -151.2151.9124.464.60000110.5
313C27.2Very low27.6Very low120 Ų120143.4 Ų143.481%0.81179%0.786SS**  trans-93.5145.9-170.4-60.40000114.2
314Q25.5Very low27.4Very low173 Ų173145.3 Ų145.381%0.80879%0.786SS**  trans25.3154.3132.6-56.9-64.9-300121.1
315P38.7Very low27.8Very low93 Ų93148.6 Ų148.660%0.60479%0.789SS**  cis-135.4-145.5-22.938.7-18.6000112
316Y21.9Very low28Very low217 Ų217152.3 Ų152.385%0.85179%0.789SS**  trans73.7142.1-174.8-65.7-89.3000114.7
317R24.1Very low28.5Very low232 Ų232157.5 Ų157.588%0.87579%0.79SS**  cis-145.7154.732-158.3-178.7-163.4-149.63.9112.9
318S24.5Very low28.4Very low87 Ų87154.7 Ų154.761%0.60878%0.78SS**  trans-70.1152.4173.752.10000113.4
319A29.2Very low28.2Very low90 Ų90150.1 Ų150.174%0.74478%0.779SS**  trans-13381.4168.200000109.4Y321A319-Y321 PolarHBondContact O-N 2.93Å
320F25.8Very low28.3Very low181 Ų181149.8 Ų149.879%0.79478%0.777SS**  trans-66.8120.2170.2-79.3-95000109.8V322F320-V322 PolarHBondContact O-N 3.4Å
321Y27.5Very low28.3Very low224 Ų224148.4 Ų148.488%0.87878%0.778SS**  trans-85.4100.4162-93.2-78.7000109.4A319 L323A319-Y321 PolarHBondContact O-N 2.93Å; Y321-L323 PolarHBondContact O-N 2.92Å
322V27.5Very low28.5Very low119 Ų119147.7 Ų147.772%0.72178%0.778SS**  trans-73.7105.4171.8179.80000108.6F320 E324F320-V322 PolarHBondContact O-N 3.4Å; V322-E324 VanDerWaalsContact C-N 3.26Å; V322-E324 HydrophobicContact CG1-CB 4.3Å; V322-E324 PolarHBondContact O-N 2.94Å; V322-E324 VanDerWaalsContact O-N 3.11Å
323L28.2Very low28.6Very low168 Ų168148.3 Ų148.388%0.8877%0.772SS**  trans-82.374.8166.9-84.2172.6000110Y321 Q325Y321-L323 PolarHBondContact O-N 2.92Å; L323-Q325 PolarHBondContact O-N 3.06Å
324E30Very low28.9Very low145 Ų145150.9 Ų150.968%0.67877%0.774SS**  trans-63.4121.1168.6-171.2178.8179.900109.4V322 Q326V322-E324 VanDerWaalsContact C-N 3.26Å; V322-E324 HydrophobicContact CG1-CB 4.3Å; V322-E324 PolarHBondContact O-N 2.94Å; V322-E324 VanDerWaalsContact O-N 3.11Å; E324-Q326 PolarHBondContact O-N 3.12Å
325Q35.7Very low29.3Very low180 Ų180150.1 Ų150.184%0.84178%0.776SS**  trans-74.369.4176.7-76.6-163.929.600111.5L323 R327L323-Q325 PolarHBondContact O-N 3.06Å; Q325-R327 PolarHBondContact O-N 2.99Å
326Q29.5Very low29.2Very low143 Ų143154.5 Ų154.567%0.66879%0.788SS**  trans-75.397.3176.5-160.41619600110.3E324 V328E324-Q326 PolarHBondContact O-N 3.12Å; Q326-V328 PolarHBondContact O-N 2.89Å
327R32.3Very low29.8Very low237 Ų237151.5 Ų151.589%0.89479%0.785SS**  trans-63.991.1175.5-72.4179.2167.8-132.90.2111.3Q325 G329Q325-R327 PolarHBondContact O-N 2.99Å; R327-G329 PolarHBondContact O-N 3.16Å
328V28.8Very low30.3Very low113 Ų113147.9 Ų147.969%0.68578%0.778SS**  trans-88.695163.1-177.70000108.5Q326 L330Q326-V328 PolarHBondContact O-N 2.89Å; V328-L330 PolarHBondContact O-N 3.19Å
329G28.5Very low30.9Very low77 Ų77152.5 Ų152.579%0.79479%0.787SS**  trans-75.7107.916900000110R327R327-G329 PolarHBondContact O-N 3.16Å
330L29.9Very low31Very low162 Ų162157.2 Ų157.285%0.84879%0.787SS**  trans-77.5125.9162.6-75.7171000108.5V328V328-L330 PolarHBondContact O-N 3.19Å
331A27.7Very low31.3Very low82 Ų82157.1 Ų157.168%0.67879%0.789SS**  trans-67.5143.9176.200000110.7
332V30.8Very low31.5Very low135 Ų135155.8 Ų155.882%0.81879%0.791SS**  trans-112.9105.2158.11770000104.8
333D27.9Very low31.8Very low136 Ų136156.7 Ų156.773%0.72780%0.797SS**  trans-66.6135.8179.2-66.9-56.4000110.1
334M33.4Very low32.3Very low175 Ų175156.9 Ų156.986%0.86279%0.793SS**  trans-94.891.5175.8-75.5174.647.300109.2E336M334-E336 PolarHBondContact O-N 3.11Å
335D33.8Very low32.4Very low157 Ų157158.4 Ų158.484%0.8480%0.8SS**  trans-66.9115.1170.7-77.7-36.7000110.3
336E36.4Very low32.2Very low184 Ų184156 Ų15686%0.8679%0.793SS**  trans-73.2136.7174.9-68.4-168.411600111.2M334 E338M334-E336 PolarHBondContact O-N 3.11Å; E336-E338 PolarHBondContact O-N 2.89Å
337I34.9Very low32.3Very low155 Ų155157.1 Ų157.180%0.79580%0.798SS**  trans-79.891179.9-56174.2000110
338E34.3Very low32.1Very low156 Ų156153 Ų15373%0.72979%0.794SS**  trans-68.5127.3161.5-81.3-144.5114.700110.6E336 Y340E336-E338 PolarHBondContact O-N 2.89Å; E338-Y340 HydrophobicContact CB-CE2 4.47Å
339K36.3Very low32.9Very low184 Ų184152.5 Ų152.580%0.879%0.793SS**  trans-97.2114.8173-72-175176.3-174.70110.7
340Y30.8Very low32.9Very low189 Ų189154 Ų15474%0.74179%0.791SS**  trans-127.2164.6158.4-71.4-73.2000111.6E338E338-Y340 HydrophobicContact CB-CE2 4.47Å
341Q32.7Very low32.8Very low178 Ų178152.1 Ų152.183%0.83279%0.79SS**  trans-98151.3-152.3-61.9163.2-6900112.7V343Q341-V343 PolarHBondContact O-N 3.36Å
342E32.3Very low33.5Very low196 Ų196153.5 Ų153.592%0.91679%0.792SS**  trans-63.3128.4159.9-65.8176.5122.200110.3
343V33.7Very low33.4Very low139 Ų139157.4 Ų157.484%0.84279%0.792SS**  trans-139139.8154.4179.80000106.5Q341Q341-V343 PolarHBondContact O-N 3.36Å
344E38.8Very low33.3Very low172 Ų172158.4 Ų158.480%0.80480%0.797SS**  trans-76.5174-170.5-61.7179.8105.900114.9
345E32.4Very low33Very low177 Ų177154.9 Ų154.983%0.82779%0.79SS**  trans76.1102.9147.8-85.7-175.4169.200120.2
346D31.5Very low32.9Very low130 Ų130157.4 Ų157.470%0.69579%0.787SS**  112.1124.5109.8-132.429.9000120.5
347Q30.5Very low32.8Very low166 Ų166154.5 Ų154.578%0.77677%0.774SS**  trans80.7111.6156.2-39.6-153.916.600122.2
348D27.9Very low32.5Very low150 Ų150153.9 Ų153.980%0.80277%0.771SS**  trans-41.8165.5140.6-115.6-25.4000113.3
349P45.6Very low32.4Very low103 Ų103152.5 Ų152.567%0.66977%0.768SS**  cis-142.9-174.89.438.6-17.2000117.4
350S28.6Very low32.3Very low107 Ų107149.8 Ų149.875%0.74876%0.762SS**  trans88.5108.8150.4-49.60000119.9
351C29Very low32.6Very low124 Ų124147.5 Ų147.584%0.83876%0.759SS**  trans-61.1157.3151.2-46.30000110.6
352P41.5Very low32.6Very low110 Ų110146.5 Ų146.571%0.71475%0.751SS**  -155.5143.689.338.9-19.6000118.7
353R28.3Very low32.7Very low218 Ų218145.5 Ų145.582%0.82375%0.747SS**  trans58126.1130.9-70.2-176.7166.9-165.5-5.5123.3
354L25.4Very low33.2Very low156 Ų156143.9 Ų143.982%0.81774%0.739SS**  trans66.7158137.7-56.9169.4000116.5
355S28.6Very low33Very low102 Ų102144 Ų14471%0.71374%0.739SS**  cis-155.4140.8-5.224.70000106.1
356R31.4Very low32.8Very low210 Ų210141.8 Ų141.879%0.79274%0.738SS**  73.8142.167.7-161.2-174.7155.3122.813.4113.9
357E33.5Very low32.8Very low123 Ų123142.4 Ų142.458%0.57574%0.74SS**  trans74.3123.2-176.3-87.777.3-129.300115.9
358L30.2Very low32.9Very low142 Ų142142.1 Ų142.174%0.74374%0.739SS**  71.8143.170.1-60.8-170.7000112.7
359L32.3Very low33.1Very low127 Ų127142 Ų14267%0.66574%0.738SS**  cis-163.3173.1-5.4-116.3171.8000111.3
360D34.2Very low32.3Very low126 Ų126142.5 Ų142.567%0.67474%0.744SS**  trans71.7131.3140.3-79.2-33.6000127.4
361E36Very low32.5Very low142 Ų142145 Ų14566%0.66475%0.749SS**  93.2135.8126.2-80.9-155.214100127.3
362K33.3Very low32.5Very low156 Ų156144 Ų14468%0.67873%0.734SS**  trans72.2110.2146.4-73.9175.916881.30122.1
363E34.1Very low31.9Very low176 Ų176147.7 Ų147.782%0.82273%0.734SS**  20.3152.4114.3-84.2-173.613600120.6
364P44.6Very low31.8Very low104 Ų104142.1 Ų142.168%0.67573%0.727SS**  cis-155.6169.848.843.4-22000121.5
365E34.3Very low31.9Very low175 Ų175144.3 Ų144.382%0.81873%0.726SS**  trans65.3157.4137.3-76.3-177.7139.600126.5
366V27.9Very low31.9Very low130 Ų130144.8 Ų144.879%0.78873%0.73SS**  trans91.7109.1156.9-154.90000122.2
367L31Very low32.2Very low144 Ų144141 Ų14175%0.75473%0.73SS**  trans-22164.8150.1-50.9170000118.2
368Q33.7Very low32.6Very low160 Ų160140.7 Ų140.775%0.74874%0.739SS**  cis-170.2170.826.4-145.1160.89.300112.7
369D31Very low32.5Very low146 Ų146139.9 Ų139.978%0.78175%0.745SS**  trans61.8137.9162.5-80.816.8000119.9
370S29.6Very low32.3Very low114 Ų114136.7 Ų136.780%0.79774%0.743SS**  cis-163.4178.531.741.40000114.6
371L32.1Very low32Very low161 Ų161139 Ų13984%0.84374%0.743SS**  trans-53.3169.1-175.4-59163.6000116.3
372D29.6Very low31.9Very low101 Ų101138.2 Ų138.254%0.5474%0.743SS.*  cis-168.9159.134.8-158.4-4.8000115.6
373R28.1Very low31.9Very low189 Ų189138.9 Ų138.971%0.71375%0.748SS**  trans55.7120.7147.3-108.4177.9-72.7-174.6-1.9124.5
374C27.6Very low32.2Very low100 Ų100138 Ų13868%0.67675%0.749SS**  158.7111.699.6-92.70000117.5
375Y28Very low32.1Very low202 Ų202139.2 Ų139.279%0.79276%0.756SS**  trans55.6102.6141.4-59.9-69000125.4
376S28.2Very low31.9Very low112 Ų112137.9 Ų137.978%0.78376%0.755SS**  78118.9112.6-60.20000124.5
377T37.7Very low31.8Very low130 Ų130140 Ų14080%0.79876%0.761SS**  trans-78.2179.2155.1-24.40000112
378P40.5Very low31.7Very low117 Ų117136.8 Ų136.876%0.7676%0.763SS**  -154160.994.139.9-21.6000119
379S29.7Very low31.7Very low125 Ų125137.7 Ų137.787%0.87477%0.767SS**  trans70142.4153.8-150.80000121
380G27.5Very low31.9Very low60 Ų60136 Ų13662%0.61976%0.764SS**  cis163.9156.2-10.600000115.7
381Y28.6Very low31.6Very low174 Ų174140.7 Ų140.768%0.68277%0.766SS**  trans57128.9158.2-79.5-110.4000120.5
382L32Very low31.3Very low127 Ų127138.6 Ų138.667%0.66576%0.764SS**  73.114375.9-106.881.5000114.1
383E34.4Very low31.2Very low169 Ų169139.2 Ų139.279%0.7978%0.777SS**  cis-157.4-174-5-153.6157.3-139.400111
384L39.9Very low31.3Very low159 Ų159134.2 Ų134.283%0.83278%0.776SS**  trans-90.6169.2176-70.8169.4000113.1
385P42.2Very low31.2Very low128 Ų128136.4 Ų136.483%0.83179%0.786SS**  -146.8-178.2123.139.5-24000116.7
386D29.8Very low31.2Very low148 Ų148137 Ų13779%0.79179%0.788SS**  trans-76.6170.2-164.8-75.8-61.6000120.6
387L27.4Very low31.4Very low173 Ų173137.2 Ų137.291%0.90679%0.79SS**  trans69.2134.2144.8-106.668.7000121.7
388G27.4Very low31.2Very low78 Ų78138.3 Ų138.380%0.80479%0.79SS**  trans140.791.2156.900000117.2
389Q34.1Very low30.9Very low179 Ų179140.4 Ų140.484%0.83679%0.79SS**  trans-78148.5155.2-78.8-77.7-1200108.4
390P36.5Very low31.3Very low110 Ų110142 Ų14271%0.71478%0.784SS**  -157.6163.171.942.5-21.9000120
391Y23.1Very low31.5Very low213 Ų213147 Ų14784%0.83579%0.791SS**  trans74.3153.9140.9-106.4-96.3000124.6
392S25.1Very low31.7Very low116 Ų116149.3 Ų149.381%0.81180%0.8SS**  trans88.5150.7160.478.30000119
393S27.7Very low31.7Very low115 Ų115150.7 Ų150.780%0.80481%0.807SS**  trans-128.5150.3-155.454.90000113.6
394A29.1Very low31.4Very low83 Ų83146 Ų14669%0.68680%0.804SS**  trans-159.279167.700000111.1Y396A394-Y396 PolarHBondContact O-N 3.21Å
395V26.6Very low31.1Very low147 Ų147147 Ų14789%0.89181%0.809SS**  trans-81.7105.4169.4-177.10000108.4
396Y27.8Very low30.5Very low213 Ų213145.1 Ų145.184%0.83581%0.805SS**  trans-82.5139.9171.1-94.9-91.3000111A394 L398A394-Y396 PolarHBondContact O-N 3.21Å; Y396-L398 PolarHBondContact O-N 2.92Å
397S32.4Very low30.7Very low118 Ų118146.1 Ų146.183%0.82581%0.809SS**  trans-56.1132.2178.8-48.90000112.5
398L33.3Very low31Very low153 Ų153145.6 Ų145.680%0.80181%0.807SS**  trans-109.7102.3167-167.375000109.7Y396 E400Y396-L398 PolarHBondContact O-N 2.92Å; L398-E400 PolarHBondContact O-N 2.84Å
399E35.1Very low31.3Very low160 Ų160148 Ų14875%0.74881%0.806SS**  trans-76.4115.1166.2-66.2177109.200109.1Q401E399-Q401 PolarHBondContact O-N 3.29Å
400E36.2Very low31.1Very low160 Ų160146.8 Ų146.875%0.74881%0.805SS**  trans-71.792.7177.4-71.1-160137.700111.8L398 Y402L398-E400 PolarHBondContact O-N 2.84Å; E400-Y402 PolarHBondContact O-N 2.89Å; E400-Y402 VanDerWaalsContact O-N 3.11Å
401Q33.6Very low31Very low164 Ų164153.3 Ų153.377%0.76682%0.815SS**  trans-72.7100174.5-64.6-176.37.500111E399 L403E399-Q401 PolarHBondContact O-N 3.29Å; Q401-L403 PolarHBondContact O-N 3.04Å; Q401-L403 VanDerWaalsContact O-N 3.14Å
402Y31.6Very low31.6Very low222 Ų222151 Ų15187%0.87182%0.816SS**  trans-60.4112.4171.4-97.2-105.6000111.6E400E400-Y402 PolarHBondContact O-N 2.89Å; E400-Y402 VanDerWaalsContact O-N 3.11Å
403L31.6Very low32.2Very low157 Ų157153.5 Ų153.582%0.82281%0.812SS**  trans-144.6100172.4-126.9164.5000110.1Q401Q401-L403 PolarHBondContact O-N 3.04Å; Q401-L403 VanDerWaalsContact O-N 3.14Å
404G28.1Very low32.6Very low70 Ų70155.6 Ų155.672%0.72281%0.807SS**  trans-77.4157-171.500000114.7
405L33.5Very low32.6Very low179 Ų179156.9 Ų156.994%0.93780%0.802SS**  trans-113.9114.8168.1-68.4176.4000109.6
406A30.1Very low32.8Very low90 Ų90156.7 Ų156.774%0.74479%0.792SS**  trans-93.1142.9170.200000110.4
407L34.4Very low33Very low169 Ų169154.9 Ų154.989%0.88579%0.791SS**  trans-133.5106.5166.8-71.7177.3000109.3
408D33.8Very low32.9Very low162 Ų162157.2 Ų157.287%0.86679%0.788SS**  trans-73.8125.3168.2-68.6-61000110.2
409V33.3Very low33Very low129 Ų129158 Ų15878%0.78279%0.788SS**  trans-140102.8155.8-175.80000110.5
410D30.6Very low32.8Very low152 Ų152158.5 Ų158.581%0.81379%0.79SS**  trans44.2132.1149-62.4-37.4000123.6
411R34.2Very low32.7Very low247 Ų247157.2 Ų157.293%0.93279%0.789SS**  trans-70.9142.7159.9-67169.5163.5-175.6-6.4111.2
412I35.8Very low32.4Very low164 Ų164156.1 Ų156.184%0.84178%0.784SS**  trans-127.4141.5149.2-62.6-177.5000108.8
413K38.3Very low32.7Very low169 Ų169153 Ų15374%0.73578%0.782SS**  trans-109.6137.1169-83.8-175.8151-131.50109.7
414K34.1Very low33.3Very low160 Ų160150.8 Ų150.870%0.69678%0.777SS**  trans-155137.7139.8-81.2-154.8154.7-136.60106.2E416K414-E416 IonicContact NZ-OE1 3.32Å; K414-E416 IonicContact NZ-OE2 3.57Å; K414-E416 PolarHBondContact NZ-OE2 3.11Å
415D29.7Very low34Very low110 Ų110153 Ų15359%0.58878%0.778SS**  cis80.2143.129.3-48-43.2000113.1
416E30.9Very low34.1Very low143 Ų143150.5 Ų150.567%0.66878%0.775SS**  trans75.8119.3-171.5-62.8136.3-163.500113.5K414K414-E416 IonicContact NZ-OE1 3.32Å; K414-E416 IonicContact NZ-OE2 3.57Å; K414-E416 PolarHBondContact NZ-OE2 3.11Å
417E31.4Very low34.5Very low174 Ų174152.4 Ų152.481%0.81378%0.78SS**  86.4139.354.9-75.6170.7-173.500112.5
418E32Very low34.2Very low167 Ų167155.9 Ų155.978%0.7878%0.781SS**  cis-158.8-170.4-1.8-145.8172.1-166.500111.3
419E33.9Very low33.9Very low171 Ų171156.3 Ų156.380%0.79978%0.782SS**  trans61.8130.4171.7-53.6-155.1154.700118.9
420E31.7Very low33.7Very low169 Ų169154.9 Ų154.979%0.7978%0.778SS**  cis107.4160.920.7-164.4159.2-135.600113.9
421D33.1Very low33.9Very low133 Ų133159.2 Ų159.271%0.71178%0.783SS**  trans69.2135.4179.5-75.81.7000119.4
422Q28.9Very low33.6Very low142 Ų142156 Ų15666%0.66478%0.779SS**  cis-155.7147.4-24.4-91.7-50.1-36.600109.2
423D37.9Very low33.4Very low155 Ų155156 Ų15683%0.82978%0.779SS**  trans-108.9133.6162.2-110.8-29.2000108.9
424P44.6Very low33.1Very low111 Ų111156.6 Ų156.672%0.72179%0.79SS**  trans-154.9175.4134.939.6-22.8000115.2
425P41.6Very low33Very low116 Ų116157 Ų15775%0.75379%0.794SS**  -137167.4-51.739.9-24.4000113.2
426C35Very low33Very low127 Ų127158 Ų15886%0.85880%0.804SS**  trans-88.8144.9170.1-650000113.2
427P38.3Very low33Very low131 Ų131157.7 Ų157.785%0.85181%0.811SS**  trans-104.6129.4160.734.4-27.3000113
428R30.1Very low33.3Very low242 Ų242157.4 Ų157.491%0.91381%0.81SS**  trans-108.4149.8165.7-74.6173.9159.9172.7-5.9109.5
429L27.4Very low33.8Very low170 Ų170155 Ų15589%0.8981%0.809SS**  trans-154.4145.7148.9-88.1-164.4000114.2
430S29.1Very low33.7Very low99 Ų99155.2 Ų155.269%0.69281%0.81SS**  trans8.9142157.950.90000122.3
431R33.1Very low33.8Very low243 Ų243153.6 Ų153.692%0.91781%0.812SS**  cis89.991.727-168.3-164.4-171-176.55.2116.1
432E29.1Very low33.9Very low181 Ų181154.5 Ų154.585%0.84682%0.815SS**  trans-148.3125.7154.3-89.7176.2145.200106.1
433L30.9Very low34Very low163 Ų163155.9 Ų155.985%0.85382%0.822SS**  74.8102.474.1-76.5179.6000115.4
434L33.3Very low33.6Very low181 Ų181155.5 Ų155.595%0.94882%0.82SS**  trans-145.5156.2138.3-155.168.3000109.4
435E32Very low33Very low168 Ų168155.7 Ų155.779%0.78582%0.824SS**  trans-127.8-171.6-168-170.6174.4-168.800109
436V29.6Very low32.5Very low133 Ų133158.3 Ų158.381%0.80683%0.831SS**  trans77.9123167.2-178.10000114.1
437V29.1Very low32.3Very low135 Ų135157.8 Ų157.882%0.81882%0.819SS**  cis-157.3158.80.486.10000112.3
438E39.1Very low31.8Very low168 Ų168161.1 Ų161.179%0.78582%0.815SS**  trans-85.6169.2170.2-61.7-175128.400112.8
439P42.8Very low31.7Very low118 Ų118154.8 Ų154.877%0.76681%0.806SS**  -144.3132.1105.335.5-20.6000117.1
440E31Very low31.8Very low174 Ų174157.6 Ų157.681%0.81381%0.807SS**  trans35.1115.9132.8-55.4-176.8148.600121.5
441V34Very low31.7Very low136 Ų136158.2 Ų158.282%0.82481%0.811SS**  trans-144.5109.2136.8-173.80000112
442L36.3Very low31.7Very low151 Ų151152.8 Ų152.879%0.79181%0.805SS**  trans40.595.8150.2-57.4175.1000122.2
443Q30.8Very low31.6Very low171 Ų171150.3 Ų150.380%0.79981%0.805SS**  31125.8119.6-70.2-178.6-4100123.2
444D28.8Very low31.4Very low147 Ų147147.5 Ų147.579%0.78680%0.799SS**  37.2106.1126.7-61.4-17.5000121.6
445S31.2Very low31.2Very low116 Ų116143.5 Ų143.581%0.81179%0.786SS**  171.4152.1127.845.80000109.5
446L31.1Very low31Very low171 Ų171141.6 Ų141.690%0.89579%0.79SS**  cis-125.7165.714.2-77.4166.1000112.9
447D31.6Very low31Very low115 Ų115142.5 Ų142.562%0.61579%0.789SS**  trans-102.8155.6175.1177.826.3000111.7
448R28.2Very low31Very low202 Ų202145.2 Ų145.276%0.76279%0.793SS**  trans84.3157.7146.9-127.4175.6-70.7-178.8-0.9123
449C28.1Very low30.8Very low108 Ų108145.2 Ų145.273%0.7379%0.793SS**  trans83.485.9153.4-69.10000120
450Y28.7Very low30.5Very low230 Ų230145 Ų14590%0.90279%0.792SS**  trans-55.1129.8133.3-75.7-103.5000110.4
451S27.2Very low30.2Very low111 Ų111143.2 Ų143.278%0.77679%0.788SS**  170.8127124.6-75.50000113.7
452T32.8Very low29.9Very low129 Ų129142 Ų14279%0.79179%0.785SS**  trans12.3129.2144.2-36.50000120.9
453P27.6Very low29.5Very low129 Ų129140.6 Ų140.684%0.83879%0.787SS**  trans-101.7155.3142.935.9-30000112.1
454S26.2Very low29.6Very low104 Ų104139.5 Ų139.573%0.72778%0.781SS**  trans-119.7146.9-177.3-175.10000112.5
455S29.6Very low29.8Very low97 Ų97138.8 Ų138.868%0.67879%0.785SS**  trans39109.6146.762.40000121.2
456C26.8Very low29.4Very low129 Ų129142.8 Ų142.887%0.87278%0.784SS**  trans-149.6124.4131.4-80.40000105
457L30.3Very low29.2Very low151 Ų151137.3 Ų137.379%0.79177%0.768SS**  cis78.987.830-145.5-172.4000113.9
458E29Very low29.1Very low193 Ų193137.7 Ų137.790%0.90278%0.78SS**  trans-148.1144.8152.5-120170.2-159.300108.8
459Q35.6Very low29.2Very low168 Ų168132.3 Ų132.379%0.78577%0.773SS**  trans-114.7158.2174.1-64.8-179.7-102.500108.7
460P35.3Very low29.3Very low114 Ų114136.7 Ų136.774%0.7478%0.78SS**  -145.7143.9106.735.5-20000116.7
461D26.2Very low29.4Very low135 Ų135136 Ų13672%0.72278%0.778SS**  trans41.7123.9131-50.6-28000123.7
462S26.1Very low29.5Very low111 Ų111135.6 Ų135.678%0.77678%0.781SS**  trans60.1139.6138.874.10000119.8
463C29.1Very low29.6Very low122 Ų122136.9 Ų136.982%0.82478%0.783SS**  cis-136.6169.130.1-71.80000113.8
464Q33.3Very low30Very low147 Ų147138.1 Ų138.169%0.68778%0.777SS**  trans-84.1175.5165.9-60.8-170.4-18.700111.4
465P31.2Very low30.4Very low132 Ų132140.8 Ų140.886%0.85778%0.778SS**  -124.8135.488.20.221000115.9
466Y23Very low30.5Very low200 Ų200143.2 Ų143.278%0.78478%0.776SS**  trans-63.1154.9143.1-106.7-124.5000109.1
467G27Very low30.8Very low56 Ų56144.8 Ų144.858%0.57777%0.771SS**  cis152.7-179.7-1.500000111.7
468S29.9Very low30.7Very low123 Ų123143.5 Ų143.586%0.8677%0.769SS**  trans72.4160.2176.285.60000115.9
469S30.8Very low30.6Very low89 Ų89137.7 Ų137.762%0.62276%0.761SS**  cis-148.2137.71878.70000117.3
470F30.3Very low30.2Very low200 Ų200139.2 Ų139.288%0.87777%0.765SS**  trans65.7129.7155-60.3-64.4000122.8
471Y29.9Very low30Very low216 Ų216139.6 Ų139.685%0.84777%0.77SS**  trans-99.9154.9167.4-81.9-102.1000111.3
472A30Very low30.2Very low102 Ų102141.3 Ų141.384%0.84378%0.779SS**  trans-147.292154.100000110.5
473L35.3Very low30.3Very low157 Ų157143.7 Ų143.782%0.82278%0.783SS**  trans-121.7129.3170.2-79.1172.1000109.2
474E35.7Very low30.4Very low154 Ų154144.4 Ų144.472%0.7278%0.783SS**  trans-111.564.8-173.4-161.7-166.8-149.200112K476E474-K476 IonicContact OE1-NZ 2.73Å; E474-K476 IonicContact OE2-NZ 3.62Å; E474-K476 PolarHBondContact OE2-NZ 3.1Å
475E34.5Very low30.2Very low161 Ų161140.1 Ų140.175%0.75278%0.779SS**  trans-79.8120.7176.4-173.6163.7-16000111.8H477E475-H477 PolarHBondContact O-N 2.88Å
476K32.4Very low30.2Very low147 Ų147143 Ų14364%0.63978%0.78SS**  trans-97.780.7-171.2-65-171-179.768.70112.9E474 V478E474-K476 IonicContact OE1-NZ 2.73Å; E474-K476 IonicContact OE2-NZ 3.62Å; E474-K476 PolarHBondContact OE2-NZ 3.1Å; K476-V478 PolarHBondContact O-N 3.31Å
477H31.5Very low30.9Very low163 Ų163140.6 Ų140.676%0.75578%0.78SS**  trans-68.5119.1167.1-79.1-71.6000112E475 G479E475-H477 PolarHBondContact O-N 2.88Å; H477-G479 PolarHBondContact O-N 2.98Å
478V28.8Very low31.2Very low124 Ų124143.2 Ų143.275%0.75278%0.777SS**  trans-94.392.6173.5-179.70000109.9K476 F480K476-V478 PolarHBondContact O-N 3.31Å; V478-F480 HydrophobicContact CG1-CD2 4.08Å; V478-F480 HydrophobicContact CG1-CE2 4.01Å
479G27.1Very low31.5Very low71 Ų71145.7 Ų145.773%0.73277%0.772SS**  trans-111.9109.8172.500000111.8H477H477-G479 PolarHBondContact O-N 2.98Å
480F27.4Very low31.6Very low199 Ų199149.4 Ų149.487%0.87378%0.777SS**  trans-89.4109.8172.6-86.3-87.8000110.9V478V478-F480 HydrophobicContact CG1-CD2 4.08Å; V478-F480 HydrophobicContact CG1-CE2 4.01Å
481S30.4Very low31.8Very low122 Ų122143.9 Ų143.985%0.85378%0.776SS**  trans-94137.3163.1-670000110.5
482L29.5Very low31.9Very low172 Ų172144.4 Ų144.490%0.90178%0.783SS**  trans-89.5152.7170.5-73.3165.5000109.9
483D29.1Very low32.1Very low160 Ų160143.2 Ų143.286%0.85678%0.781SS**  trans-140.4165.9157.7-147.9-12.4000111.6
484V30.5Very low32.1Very low137 Ų137145.4 Ų145.483%0.8378%0.784SS**  trans-126.4146.1-165.7-178.50000108.8
485G30.5Very low32.2Very low58 Ų58147.4 Ų147.460%0.59879%0.79SS**  cis172.9-163.30.100000110.2
486E30.3Very low32Very low191 Ų191149.6 Ų149.689%0.89379%0.791SS**  trans67163.4179.4-47.1-149.2137.100114.5
487I37.8Very low32Very low151 Ų151153.4 Ų153.477%0.77480%0.802SS**  cis-131.8140.315-55.6165.8000112.8
488E32.6Very low32Very low111 Ų111149.2 Ų149.252%0.51980%0.803SS.*  trans-6.8133.7161.8-151-145.4-159.700121.5K490E488-K490 WeakPolarHBondContact OE1-CE 3.48Å; E488-K490 IonicContact OE1-NZ 3.55Å; E488-K490 PolarHBondContact OE1-NZ 3.42Å; E488-K490 IonicContact OE2-NZ 3.25Å; E488-K490 PolarHBondContact OE2-NZ 2.92Å
489K37.3Very low32.2Very low175 Ų175153.8 Ų153.876%0.76181%0.807SS**  -173.7103.8117.5-95.8144-159.2154.30117.6
490K33.3Very low32.4Very low167 Ų167161 Ų16173%0.72681%0.811SS**  trans43.5103.1131.5-61.9170.8173.9106.10119.9E488E488-K490 WeakPolarHBondContact OE1-CE 3.48Å; E488-K490 IonicContact OE1-NZ 3.55Å; E488-K490 PolarHBondContact OE1-NZ 3.42Å; E488-K490 IonicContact OE2-NZ 3.25Å; E488-K490 PolarHBondContact OE2-NZ 2.92Å
491G33.3Very low32.6Very low83 Ų83155.9 Ų155.986%0.85680%0.8SS**  trans-144.1118.5165.600000114.5
492K32.6Very low32.7Very low227 Ų227159 Ų15999%0.98780%0.799SS**  trans-89.7134.5-176-58.7167.7-175.3168.40112
493G34.3Very low32.8Very low78 Ų78159.5 Ų159.580%0.80479%0.794SS**  trans-165134.717000000115
494K36Very low32.9Very low202 Ų202159 Ų15988%0.87879%0.786SS**  trans-132.1157.3177.3-73.3-177.6178.6176.40111.3
495K36Very low33Very low197 Ų197163.1 Ų163.186%0.85779%0.787SS**  trans84.3128.7173-53.7169.9-177.81740113.4
496R32.1Very low33.2Very low206 Ų206171.9 Ų171.978%0.77780%0.802SS**  cis91.5120.330.3-69.6-175.991.9-17412.9114.6
497R31.8Very low33.3Very low228 Ų228175 Ų17586%0.8681%0.805SS**  trans69.8154.9161-63.5175.6171.6-177.8-3.8115.6
498G31.6Very low33Very low75 Ų75171.1 Ų171.177%0.77380%0.803SS**  cis178.5165.7-4.600000115.8
499R33.1Very low33.2Very low220 Ų220176.8 Ų176.883%0.8382%0.82SS**  trans-57.4146.3-174.8-68.4173.6168.1-177.5-5116.8
500R30.3Very low33.1Very low221 Ų221176.2 Ų176.283%0.83482%0.817SS**  trans67.8159.7150.1-65.3168177.6-175.4-3.4114.6
501S32.8Very low33Very low92 Ų92174.8 Ų174.864%0.64381%0.813SS**  cis-174.5144.338.3-1570000114.9
502K31.9Very low32.9Very low189 Ų189174 Ų17482%0.82281%0.805SS**  trans64.5159.5145.8-76.8178175.2-174.50122.4
503K32.2Very low33Very low181 Ų181171.9 Ų171.979%0.78780%0.798SS**  trans78.9147163.8-55.8-158.374.8179.20117.2
504E31.4Very low32.9Very low151 Ų151176.9 Ų176.971%0.70680%0.801SS**  cis-158.4161.2-26.3-176.2161.3-171.700111.1
505R32.7Very low32.7Very low222 Ų222173 Ų17384%0.83879%0.79SS**  trans-51.3141.6-177.9-62.7163.6158.7178.7-8.5117.3
506R34.5Very low32.5Very low243 Ų243171 Ų17192%0.91778%0.783SS**  171122.2129.9-90152.6-172.2-147.81.7106.6
507R31.9Very low32.6Very low255 Ų255168.2 Ų168.296%0.96278%0.784SS**  cis75.798.837.4-158.2-170.9-157.1-152.97.6113.8
508G31.3Very low34.1Very low70 Ų70162.8 Ų162.872%0.72278%0.778SS**  trans168.998.9164.500000117
509R36.5Very low34.5Very low231 Ų231165.1 Ų165.187%0.87278%0.78SS**  trans60.1168.7156.9-70.6-169.1170.8-176.8-5.9119.7
510K35.3Very low34.5Very low163 Ų163160.1 Ų160.171%0.70978%0.777SS**  cis163.5162.6-43.2-121.3-138.2-179-165.40109
511E32.6Very low35.2Very low137 Ų137154.9 Ų154.964%0.6477%0.772SS**  trans65.9138.8166.9-70.3122.7-156.700115.3
512G31Very low35.1Very low66 Ų66162.2 Ų162.268%0.6879%0.785SS**  cis-137.7164.6-11.200000109.5
513E34Very low34.9Very low182 Ų182160.9 Ų160.985%0.8579%0.786SS**  101.4148.652.2-168.6159-138.600110.9
514E32Very low35.1Very low183 Ų183157.8 Ų157.886%0.85579%0.788SS**  trans66.5144.6-177.2-75.1173.5-170.200117.3
515D31.6Very low35.3Very low122 Ų122160 Ų16065%0.65279%0.789SS**  cis-165.1169-18.4-161.29.4000112
516Q32.8Very low35.4Very low153 Ų153155.2 Ų155.272%0.71578%0.777SS**  trans66.4149.8160.7-54.9-54.9-28.700123.8
517N33.4Very low35.4Very low149 Ų149149.7 Ų149.780%0.79777%0.765SS**  trans-133.1169.4159.1-93.1-51.8000107.2
518P63Low35.3Very low114 Ų114144.4 Ų144.474%0.7476%0.755SS**  -109-168.9-53.539.6-25.6000110.1
519P40.9Very low35.3Very low123 Ų123147.5 Ų147.580%0.79976%0.755SS**  -158.6176.394.641.3-21.4000117.5
520C31.6Very low35.2Very low116 Ų116143.7 Ų143.778%0.78475%0.747SS**  trans-72.1179.4162-37.50000110.7
521P45.6Very low35.1Very low111 Ų111144.6 Ų144.672%0.72175%0.751SS**  cis-154.2-177.138.543.8-22000118.5
522R30.8Very low34.9Very low245 Ų245141.2 Ų141.293%0.92575%0.753SS**  -176169.4122.7-101.5170.4177.8170.20.7114.2
523L28.7Very low36.3Very low161 Ų161143.9 Ų143.984%0.84376%0.758SS**  trans-137.4150.5-160.4-69.1168.9000114.9
524S34.8Very low36Very low117 Ų117144 Ų14482%0.81876%0.759SS**  trans-154.3135.3151.4-74.40000106.4
525R36.3Very low35.9Very low196 Ų196141.1 Ų141.174%0.7475%0.754SS**  cis70.2125.68.1-84.7-154.7129.9-169.4-12.6115.3
526E34.4Very low35.9Very low122 Ų122142.8 Ų142.857%0.5776%0.762SS**  cis-158.1167.8-1.8-76.4-155.3123.800109.5
527L33.9Very low35.9Very low128 Ų128143.4 Ų143.467%0.6777%0.765SS**  cis-164.6165.8-9.7-117.1173.6000109.1
528L30.9Very low35.7Very low144 Ų144143.7 Ų143.775%0.75477%0.766SS**  172.9144.8121.3-92.1168000113.9
529D31.3Very low34.2Very low135 Ų135142.9 Ų142.972%0.72276%0.763SS**  trans8.4135.9163.3-49.7-11.4000120.7
530E34.4Very low33.7Very low151 Ų151144.4 Ų144.471%0.70676%0.764SS**  cis97.7130.431-158.7-158.2-102.900114.1
531K32.1Very low33.6Very low181 Ų181144.2 Ų144.279%0.78776%0.755SS**  trans68.7164.6-175.2-51-170.4-175.570.50113.6
532G30.3Very low32.9Very low66 Ų66148.1 Ų148.168%0.6876%0.755SS**  cis167.1157.9-2.700000109.1
533P59.2Low32.7Very low122 Ų122141.4 Ų141.479%0.79275%0.745SS**  trans-94.6140.3-164.435.4-34.6000115.2
534E27.1Very low32.6Very low184 Ų184143.6 Ų143.686%0.8674%0.743SS**  trans-169.8136.2153.2-99.5143.2-156.300106.1
535V31.5Very low32.2Very low124 Ų124143 Ų14375%0.75274%0.739SS**  cis85.9148.146.8176.20000112.4
536L31.7Very low31.9Very low157 Ų157140 Ų14082%0.82274%0.743SS**  trans85.6104-160.7-54.9178.1000112.8
537Q31.3Very low32.2Very low166 Ų166139.4 Ų139.478%0.77675%0.749SS**  cis72.887.519.6-155.9-178.415.900114.7
538D29.3Very low31.9Very low154 Ų154138.7 Ų138.782%0.82476%0.755SS**  trans175.4151.6147.1-97.2-16.6000107.6
539S31.7Very low31.6Very low97 Ų97134.7 Ų134.768%0.67875%0.748SS**  cis-144.9133.8-3.154.50000108.1
540L30Very low31.4Very low156 Ų156133.8 Ų133.882%0.81775%0.752SS**  38.3120.697.8-67.2172.8000115
541D30.6Very low31.2Very low112 Ų112133.3 Ų133.360%0.59975%0.753SS**  -168.2159.990.6-156.1-3.4000113.2
542R29.8Very low31.1Very low192 Ų192132 Ų13273%0.72575%0.749SS**  trans49.8119.3165.7-82.2160.9-98.6-176.4-2.9119.1
543C26.7Very low31.1Very low104 Ų104135.4 Ų135.470%0.70375%0.752SS**  66.5132.258.4-56.50000113.1
544Y27.5Very low29.4Very low208 Ų208135.2 Ų135.282%0.81675%0.748SS**  cis-136.2147.234.3-84.2-97.7000117
545S25.8Very low29.4Very low105 Ų105133.7 Ų133.773%0.73475%0.746SS**  trans57.599136.8-60.60000123.9
546T30.9Very low29.1Very low132 Ų132132.5 Ų132.581%0.8174%0.743SS**  -70.7-171.51209.80000111.1
547P40.9Very low28.9Very low109 Ų109130.3 Ų130.371%0.70874%0.74SS**  cis-135.3-167.3-15.834.1-12.5000114
548S26.1Very low29Very low114 Ų114131 Ų13180%0.79774%0.743SS**  trans68.3154.1145.4-130.90000119.2
549G26.1Very low29.2Very low59 Ų59128.8 Ų128.861%0.60874%0.737SS**  cis106.6119.1-0.600000114.1
550C27.1Very low28.8Very low117 Ų117133.9 Ų133.979%0.79174%0.743SS**  trans-150.8140.6170.5-86.90000107.1
551L29.3Very low28.6Very low141 Ų141138.4 Ų138.474%0.73875%0.749SS**  67.3139.266.9-59.2170000112
552E31.1Very low28.3Very low152 Ų152137.3 Ų137.371%0.7175%0.75SS**  cis-156.8149.419.3-146.8144.4-130.500115.4
553L28.4Very low28.2Very low139 Ų139133.1 Ų133.173%0.72876%0.756SS**  trans20.7151.4150-62.6174.7000125.4
554T25.5Very low28.2Very low118 Ų118136.9 Ų136.972%0.72476%0.761SS**  trans68.8144.1148.844.90000118.8
555D26.3Very low28.1Very low152 Ų152137.6 Ų137.681%0.81376%0.764SS**  cis-154.4170.32.9-133.9-28.6000112.7
556S25.7Very low28.3Very low99 Ų99138.5 Ų138.569%0.69277%0.765SS**  trans135.1114.3146.4-165.90000117.4
557C27.3Very low28.2Very low110 Ų110139.8 Ų139.874%0.74377%0.766SS**  trans60.398.3144.7-66.80000121.9
558Q33.8Very low27.7Very low181 Ų181142.7 Ų142.785%0.84677%0.77SS**  trans-134.2127.1141.8-86-69.5-31.600109.6
559P33.2Very low28.2Very low107 Ų107144.3 Ų144.370%0.69577%0.765SS**  trans-127.3105.3164.134.4-19.7000113.9
560Y23.7Very low28.3Very low204 Ų204151.1 Ų151.180%0.878%0.781SS**  trans36.5125.8137.4-70.2-89.1000120.6
561R24Very low28.2Very low252 Ų252155.5 Ų155.595%0.95178%0.781SS**  -152.1141.891.7-122.3-178.7-175.6-123.70.5114.3
562S26.1Very low28.1Very low88 Ų88155.5 Ų155.562%0.61579%0.786SS**  trans-121.5156.7177.454.40000110.8
563A26.9Very low27.8Very low104 Ų104151.6 Ų151.686%0.8679%0.787SS**  trans-152.4111.6158.500000109.2
564F26.3Very low27.7Very low183 Ų183153.2 Ų153.280%0.80380%0.795SS**  trans-85154.4165.8-86.5-102.3000109.6
565Y25.6Very low27.8Very low224 Ų224151.7 Ų151.788%0.87880%0.795SS**  -161146.7120.6-104-67.7000110.9
566V30.8Very low28Very low123 Ų123150.4 Ų150.475%0.74579%0.792SS**  trans-130.4126.9172.5173.90000107.4
567L29.1Very low28.2Very low160 Ų160152.9 Ų152.984%0.83880%0.798SS**  trans-143.1106.4165.5-83.7-176.9000111.6
568E29.3Very low28.4Very low170 Ų170154.4 Ų154.479%0.79480%0.795SS**  trans23.7152.8135.6-154.6156.5-143.100123.4
569Q35.9Very low28.5Very low148 Ų148151.8 Ų151.869%0.69279%0.787SS**  trans-56.5154.8-175-51.4166.55500116.3
570Q29.4Very low28.6Very low202 Ų202154.6 Ų154.694%0.94479%0.791SS**  trans-149.2174.3133.7-121.4168.63200114.2
571R25.2Very low29.1Very low209 Ų209151.6 Ų151.679%0.78979%0.787SS**  trans-133.3148-158.5-79.1-178.6169.7-141.60.4113.4
572V26Very low29.4Very low141 Ų141146 Ų14686%0.85577%0.772SS**  trans67130.6147.2171.30000118.8
573G25.4Very low29.8Very low70 Ų70147.5 Ų147.572%0.72277%0.767SS**  trans-156.8160.3166.900000110.9
574L27.1Very low29.9Very low173 Ų173151 Ų15191%0.90676%0.76SS**  trans-145.6174.2-169.7-88.2171.2000112.9
575A26.3Very low30.3Very low86 Ų86150 Ų15071%0.71176%0.757SS**  trans81.3133.8179.800000115.2
576V30.3Very low30.7Very low124 Ų124146.5 Ų146.575%0.75275%0.749SS**  cis90.2110.727178.50000114.2
577D31.1Very low30.7Very low152 Ų152146.5 Ų146.581%0.81375%0.749SS**  trans174143.7141.5-83.8-24000106.2
578M31.5Very low31.2Very low141 Ų141146.2 Ų146.270%0.69574%0.743SS**  cis120104.810.1-78.5-67.6-66.700112.2
579D36.2Very low31.6Very low127 Ų127146 Ų14668%0.67974%0.743SS**  trans70.7133.9144.5-62.1-4.4000126
580E33.4Very low31.4Very low165 Ų165144.3 Ų144.377%0.77174%0.738SS**  trans83.2150.4133.4-86.8-167.7161.600125.4
581I34.6Very low31.4Very low141 Ų141141.8 Ų141.872%0.72373%0.727SS**  trans71.3144151.5-72158.2000117.1
582E31Very low31.7Very low134 Ų134137.2 Ų137.263%0.62672%0.718SS**  cis-166.3169.7-19.1-98.7-155.4168.300107
583K33.4Very low32.7Very low120 Ų120136 Ų13652%0.52271%0.713SS.*  cis166.3167.2-17.9-178.5179.9172.2-1650109.2
584Y30.8Very low33.3Very low179 Ų179137.9 Ų137.970%0.70272%0.715SS**  trans68.4159.3177.2-50.9-78.2000114.7
585Q34.1Very low33.5Very low160 Ų160135.4 Ų135.475%0.74871%0.711SS**  cis-145.7173.24-154.4155.1-1100114
586E33.8Very low34.3Very low151 Ų151137.4 Ų137.471%0.70672%0.716SS**  trans-62.5164-172.7-56.2135.7131.700117.5
587V30.4Very low34.5Very low123 Ų123142.3 Ų142.375%0.74572%0.721SS**  179.8128.1113.8150.40000112.8
588E39.3Very low34.2Very low154 Ų154143 Ų14372%0.7272%0.724SS**  trans39.6120147.2-60.1173.2164.600121
589E37.9Very low34.4Very low166 Ų166141.1 Ų141.178%0.77673%0.725SS**  96.414393.1-81.1-172.6175.800113.4
590D32.6Very low34.3Very low113 Ų113146.2 Ų146.260%0.60474%0.735SS**  cis-157.9163-5.3-146.5-3.8000112.5
591Q29Very low34.4Very low149 Ų149145.8 Ų145.870%0.69673%0.733SS**  trans41.1127.3164.9-45.3-62.4-65.200120.2
592D30.6Very low34.4Very low113 Ų113145.5 Ų145.560%0.60473%0.732SS**  cis60151.247.9-84.6-17.7000116.8
593P47.1Very low34.6Very low116 Ų116146.3 Ų146.375%0.75374%0.74SS**  cis-136.9-156.1-43.339.6-21.5000111.8
594S38.3Very low34.6Very low108 Ų108147.2 Ų147.276%0.75575%0.75SS**  trans-105.9-179-173.9630000115.5
595C32Very low34.8Very low122 Ų122145.1 Ų145.182%0.82475%0.747SS**  trans86162.9-178-55.50000115.7
596P43.6Very low34.8Very low128 Ų128146.3 Ų146.383%0.83175%0.749SS**  cis-131.8-170.4743.8-27000116.4
597R32.6Very low34.7Very low227 Ų227142.5 Ų142.586%0.85775%0.751SS**  trans-78156.9172.8-60.3166.5165.9176.6-7.1112.7
598L26.4Very low35.5Very low166 Ų166142.3 Ų142.387%0.86975%0.752SS**  175.1165.9104-90.7176.9000114
599S35.9Very low35.2Very low102 Ų102143.3 Ų143.371%0.71376%0.757SS**  trans-91.5152.6-166.251.70000116.7
600R32.8Very low35.3Very low234 Ų234141.5 Ų141.588%0.88376%0.757SS**  trans-165160.6131.9-128.5175.4175.4162-3116.3
601E36.2Very low35.4Very low156 Ų156142.9 Ų142.973%0.72976%0.763SS**  trans-65.7169.7164.4-68.7165.2114.700113.2
602L35.1Very low35.7Very low135 Ų135143 Ų14371%0.70776%0.764SS**  cis-164.3165.8-4.2-118.1170.9000110
603L33.6Very low35.7Very low151 Ų151144 Ų14479%0.79177%0.769SS**  trans66.4150.4166.3-62.5168.1000116
604D34.2Very low34.7Very low138 Ų138143.6 Ų143.674%0.73877%0.769SS**  cis-157.6175.944.1-143.8-12.5000116.2
605E34.5Very low34.3Very low135 Ų135146.2 Ų146.263%0.63177%0.774SS**  trans21124.7167.2-61-142101.800125.6
606K34.6Very low34.6Very low185 Ų185145.7 Ų145.780%0.80476%0.763SS**  trans38.2140.7130.6-61.8174.8-169.8133.20123.5
607G31.1Very low34.3Very low71 Ų71147.8 Ų147.873%0.73275%0.754SS**  trans-79-162.8167.900000115.4
608P48.9Very low34.2Very low119 Ų119142 Ų14277%0.77375%0.747SS**  -151.7179.567.443.4-24.5000118.1
609E32.1Very low34.5Very low176 Ų176143 Ų14382%0.82274%0.741SS**  trans36.7112.8145.2-66.2178.413900123.9
610V39.9Very low34.4Very low127 Ų127142.4 Ų142.477%0.7774%0.737SS**  25123.1120.6-161.80000119.6
611L34.5Very low34.5Very low142 Ų142137.3 Ų137.374%0.74373%0.732SS**  178.9133.5114.2-95.3174.7000116.1
612Q34.9Very low35Very low152 Ų152135.9 Ų135.971%0.7174%0.736SS**  trans44138.3143.1-80.3178.8-42.700125.5
613D32Very low35Very low133 Ų133135.5 Ų135.571%0.71175%0.745SS**  trans53.3125.2139-59.80.3000122.1
614S26.3Very low34.6Very low109 Ų109131.3 Ų131.376%0.76274%0.738SS**  -178.9143.894.640.90000116.5
615L28.3Very low34.4Very low163 Ų163130.5 Ų130.585%0.85374%0.742SS**  trans48.4102.3142.2-61.3170.2000122.5
616D38.3Very low34.1Very low110 Ų110130.5 Ų130.559%0.58875%0.745SS**  50.9113111.8-159.526.6000121.8
617R38.9Very low34.1Very low173 Ų173128.5 Ų128.565%0.65374%0.739SS**  trans76.6132142.9-124.9172-65.2-1762.8121.9
618C30.3Very low34.2Very low105 Ų105131.9 Ų131.971%0.70974%0.739SS**  173.7112106.9-85.90000116.9
619Y31.6Very low33.4Very low186 Ų186131.6 Ų131.673%0.72974%0.735SS**  trans62113.7132.7-64.7-61.1000126.4
620S33.9Very low33.4Very low91 Ų91129.6 Ų129.664%0.63673%0.73SS**  100.8106.8111.4-68.30000124.4
621T34.6Very low32.8Very low127 Ų127128.3 Ų128.378%0.77973%0.727SS**  52.9166119.718.60000121.8
622P48.6Very low32.5Very low126 Ų126127.3 Ų127.382%0.81873%0.731SS**  cis-116.5-161.924.144.9-33.5000116
623S33.3Very low32.3Very low127 Ų127128.7 Ų128.789%0.88874%0.737SS**  trans-158.8170.4175.8-173.70000111.2
624G26.9Very low32.7Very low62 Ų62127 Ų12764%0.63973%0.733SS**  trans-174.8121.1174.300000117.4
625C28.2Very low32.5Very low122 Ų122131.5 Ų131.582%0.82474%0.735SS**  trans65.5133161.8-64.20000118.7
626L29.1Very low32.3Very low135 Ų135134.7 Ų134.771%0.70774%0.736SS**  cis-161.1170.7-12-80.2177.1000105.4
627E34.1Very low31.6Very low143 Ų143134 Ų13467%0.66874%0.74SS**  cis-156.5141-1.8-121.6144.5-166.100106.7
628L34.3Very low31Very low142 Ų142129.3 Ų129.374%0.74374%0.737SS**  58134.499.8-55.9-165.2000116.3
629T31.4Very low30.7Very low112 Ų112133.8 Ų133.869%0.68775%0.745SS**  cis-168.3159.97.628.90000107.8
630D31.5Very low30.5Very low134 Ų134135.4 Ų135.472%0.71775%0.752SS**  cis-162.4144.6-9.3-110.311.1000108.8
631S28.8Very low30.4Very low100 Ų100137.4 Ų137.470%0.69976%0.76SS**  73.1135.595.3-145.50000114.6
632C27.1Very low30.1Very low121 Ų121139.6 Ų139.682%0.81877%0.766SS**  cis-139.8178.640-70.10000115.6
633Q31.5Very low29.2Very low182 Ų182141.4 Ų141.485%0.8576%0.763SS**  trans-116.5-161.6-179-54.4-157.4-18.900111.7
634P39.3Very low29.1Very low96 Ų96142.5 Ų142.562%0.62375%0.754SS**  cis-143.7-171.2-3.229.6-2.1000118.5
635Y23.5Very low29.1Very low204 Ų204147.1 Ų147.180%0.876%0.76SS**  trans78126.3172.5-70.1-96.1000117.5
636R23.7Very low29.3Very low230 Ų230152.9 Ų152.987%0.86876%0.764SS**  75.6135.560.5-100-169.5178.6-140.41.6113.5
637S23Very low29.2Very low97 Ų97153.1 Ų153.168%0.67877%0.771SS**  cis-159.4144.21353.50000116
638A27.3Very low28.9Very low73 Ų73149.2 Ų149.260%0.60377%0.769SS**  trans26.5145.313500000121.3
639F24.1Very low28.6Very low200 Ų200151 Ų15188%0.87778%0.778SS**  -156.7-176.363.1-106.8-81.7000116.9
640Y26.1Very low28.3Very low219 Ų219149.6 Ų149.686%0.85978%0.778SS**  trans-94163.6-161.8-88.7-106.9000116.5
641V32.8Very low28.1Very low133 Ų133149.7 Ų149.781%0.80678%0.783SS**  trans-74.3139.9159.7176.30000110.8
642L28.1Very low28.1Very low173 Ų173151.8 Ų151.891%0.90679%0.786SS**  trans-146.7135.5158.4-98.3177.8000111.1
643E30Very low28.3Very low164 Ų164153.8 Ų153.877%0.76679%0.785SS**  trans-118.6135.8167.6172.5-174.5-138.700107.5
644Q29.4Very low28.4Very low150 Ų150151.4 Ų151.470%0.70178%0.778SS**  trans175.1146.5130.9-100.2179.181.600116.5
645Q28.1Very low28.1Very low160 Ų160154.9 Ų154.975%0.74879%0.787SS**  trans66.9138.4143.8-68.9-1789.400122.6
646R32.7Very low28.8Very low243 Ų243150.9 Ų150.992%0.91778%0.778SS**  trans-95.4142.2156.8-62.8173.6168.8-148.30.3109.5
647V26.6Very low29.3Very low140 Ų140146.9 Ų146.985%0.84877%0.769SS**  trans-142.4149.3145.3-176.30000107.6
648G27.6Very low29.8Very low61 Ų61148.3 Ų148.363%0.62976%0.763SS**  trans-152.6172.1169.300000110.6
649L28.2Very low29.9Very low180 Ų180154.2 Ų154.294%0.94277%0.771SS**  trans170.7150.9164-94.8162.4000106.1
650A24.7Very low30.4Very low82 Ų82152.4 Ų152.468%0.67877%0.765SS**  -179.6175.463.800000112.3
651V28Very low31.2Very low135 Ų135149.8 Ų149.882%0.81876%0.761SS**  trans83119.9163.6-166.10000117.5
652D29.2Very low31.4Very low145 Ų145150.1 Ų150.178%0.77576%0.763SS**  trans-89.3165.7177.1-36.4-97.9000112.9
653M30.7Very low32.4Very low162 Ų162150.9 Ų150.980%0.79876%0.762SS**  trans179145.3134.3-98.1-57.4-57.200111.2
654D34Very low32.8Very low132 Ų132152.4 Ų152.471%0.70677%0.769SS**  trans-78.3-173.2-172.6-53.9-90.8000116.4
655E33.3Very low33.5Very low170 Ų170152.5 Ų152.579%0.79477%0.774SS**  trans76.5149.4159.8-65.8-168.9163.300116.7
656I36.5Very low33.8Very low120 Ų120153.8 Ų153.862%0.61578%0.78SS**  cis-158.9146.51-123.2168.1000111
657E34.4Very low34.2Very low146 Ų146149.4 Ų149.468%0.68278%0.775SS**  trans51.3170.2152.2-65.2-162.1132.300123.2
658K33Very low35.1Very low127 Ų127148.3 Ų148.355%0.55277%0.771SS**  cis176.9134.9-40-160-171.8-146.4160.40110.8
659Y30.6Very low35.4Very low196 Ų196151.3 Ų151.377%0.76978%0.782SS**  trans61.5170.4173.7-45.1-54.8000115.5
660Q34.8Very low35.8Very low163 Ų163148.2 Ų148.276%0.76277%0.774SS**  cis-149.7-177.6-3.1-147.3156.9-14.500112.1
661E42.8Very low37Very low163 Ų163150.3 Ų150.376%0.76278%0.781SS**  trans-70.2158.7-178.9-5313311400115.1
662V35.8Very low37.3Very low140 Ų140154.7 Ų154.785%0.84878%0.783SS**  trans-166.4141.3137.7156.70000109.4
663E49.7Very low37.5Very low189 Ų189155.6 Ų155.688%0.88379%0.787SS**  trans-99.8153164.9-65.5-178135.400111.2
664E38.2Very low37.7Very low197 Ų197152.8 Ų152.892%0.92178%0.783SS**  trans-161.9144.9152.3-120.7171.8-167.400112.9
665D44.4Very low37.7Very low151 Ų151155.4 Ų155.481%0.80778%0.783SS**  trans-92.9170.5-178.1-74.3-57.2000114.1
666Q33.8Very low37.8Very low188 Ų188153.8 Ų153.888%0.87978%0.775SS**  149.7140.3129.6-73.5-80.9-20.800115.1
667D42.3Very low37.6Very low151 Ų151154.4 Ų154.481%0.80778%0.779SS**  trans-93.2163.6171.1-88.6-46000112.6
668P45.3Very low37.6Very low116 Ų116154 Ų15475%0.75378%0.781SS**  -165139.310438.7-16.3000121.6
669S34.4Very low37.7Very low124 Ų124154.1 Ų154.187%0.86779%0.788SS**  65.9166127.3-63.80000125.5
670C36.1Very low37.9Very low115 Ų115151.3 Ų151.378%0.77778%0.781SS**  trans-126170.3-158-61.70000117.4
671P49.4Very low37.8Very low126 Ų126150.5 Ų150.582%0.81878%0.775SS**  trans-89.3-177.3175.336.9-38000116.4
672R34Very low37.1Very low228 Ų228151 Ų15186%0.8678%0.778SS**  trans-158.9148.6-156-82.6179.9-175.7-173-0.2118.4
673L34.1Very low37.6Very low164 Ų164148.7 Ų148.786%0.85977%0.766SS**  trans75.3156.1150.8-63.7164.2000121.1
674S35.6Very low36.8Very low102 Ų102148 Ų14871%0.71376%0.762SS**  cis-148.3-135.2-13.840.60000111.8
675R33.2Very low36.3Very low187 Ų187144 Ų14471%0.70675%0.751SS**  cis-173.4132.513.5-174.6-175.8170.9113.317.5114.1
676E35.8Very low35.7Very low136 Ų136143.4 Ų143.464%0.63675%0.747SS**  trans50.6153.8150.7-61.1171.3179.400122.8
677L32.3Very low35.6Very low134 Ų134141.6 Ų141.670%0.70274%0.739SS**  cis-167.1156.9-14.1-99.5167000111.1
678L34Very low35Very low138 Ų138141 Ų14172%0.72374%0.735SS**  trans11.2159.6144.7-57.4179.5000121.5
679D35.8Very low34.4Very low129 Ų129140.4 Ų140.469%0.6973%0.734SS**  cis-171.7173.74-111.3-19.1000108.1
680E34.9Very low34.6Very low136 Ų136142.6 Ų142.664%0.63674%0.735SS**  cis-157.1172.9-4.5-139.8-159.2175.400110.9
681K32.8Very low34.4Very low146 Ų146142.9 Ų142.964%0.63573%0.729SS**  trans42.1121.4154.4-75.4-173.7-178.280.10124.4
682E26.6Very low33.4Very low174 Ų174146.2 Ų146.281%0.81373%0.725SS**  34.2157.3107.3-90.5-160.9135.800123.4
683P47.8Very low33.2Very low92 Ų92139.8 Ų139.860%0.59771%0.714SS**  cis-142.3-166.2-11.139.6-18.6000115.7
684E31.8Very low33Very low174 Ų174142 Ų14281%0.81371%0.713SS**  trans80.7133.1143.3-85.9-175.7171.600124.2
685V29.1Very low32.6Very low112 Ų112142.6 Ų142.668%0.67972%0.717SS**  trans87.1104.6132.11670000122.3
686L30.6Very low32.7Very low139 Ų139140.4 Ų140.473%0.72872%0.724SS**  trans67136133.5-63.3-179.3000124.7
687Q31.2Very low32.8Very low151 Ų151139.4 Ų139.471%0.70673%0.729SS**  86.8113.2129.3-83.3177.5-41.400124.4
688D30.1Very low32.7Very low137 Ų137138.6 Ų138.673%0.73374%0.735SS**  76.4153.5120.2-87.2-38.9000124.9
689S33.1Very low32.3Very low104 Ų104135.1 Ų135.173%0.72773%0.733SS**  trans78.694.4152.361.50000121.1
690L38.7Very low31.9Very low171 Ų171140 Ų14090%0.89574%0.743SS**  14.3131.8119.8-64.2166000118.7
691D30.9Very low31.6Very low120 Ų120139.8 Ų139.864%0.64275%0.746SS**  -160.3145.6125-131.5-21000118.3
692R28.6Very low31.6Very low196 Ų196141 Ų14174%0.7475%0.754SS**  trans47.4118.1145.6-115.4155.3-72.2-166.91.1125.7
693C30.4Very low32Very low93 Ų93140.5 Ų140.563%0.62876%0.756SS**  trans-7.6168.6130.4-22.50000120.2
694Y29.9Very low31.7Very low212 Ų212141.1 Ų141.183%0.83176%0.76SS**  cis-161.2159.918.8-99.3-61.7000110.5
695S27.2Very low31.5Very low114 Ų114139.5 Ų139.580%0.79776%0.757SS**  164.3146.6122.2-74.70000114.3
696T36Very low31.5Very low141 Ų141142.7 Ų142.787%0.86577%0.769SS**  trans-143.8138.3170.2-46.90000110.7
697P37Very low31.4Very low114 Ų114139.5 Ų139.574%0.7477%0.77SS**  trans-143.1168.2147.337.6-23.4000113.3
698S30Very low31.3Very low118 Ų118141.4 Ų141.483%0.82578%0.779SS**  cis170.9131.8-4054.50000108.7
699G26.7Very low31.7Very low65 Ų65139.4 Ų139.467%0.6777%0.773SS**  trans136.3109170.400000113
700Y27.4Very low31.2Very low230 Ų230145 Ų14590%0.90278%0.78SS**  69.799.974.2-87.7-78.2000114.7
701L28.9Very low30.5Very low133 Ų133141.4 Ų141.470%0.69677%0.769SS**  -176.4145.8105-124.865.3000114
702E31.1Very low30.1Very low172 Ų172141.5 Ų141.580%0.80478%0.779SS**  trans46.5125.4143.1-75158.3-169.800124.7
703L34.8Very low30Very low163 Ų163136.7 Ų136.785%0.85378%0.781SS**  trans-85175.9144.6-67.7172.3000108.5
704P43.2Very low29.9Very low104 Ų104139 Ų13968%0.67579%0.792SS**  cis-150.3-166.923.247.1-25.7000117.9
705D27.5Very low29.7Very low141 Ų141139.6 Ų139.675%0.75480%0.795SS**  trans47.9128.7149.1-55.3-24.7000123.4
706L27.7Very low29.7Very low178 Ų178139.5 Ų139.593%0.93279%0.794SS**  -173.7151.499.4-138.573.2000112.5
707G30Very low29.4Very low73 Ų73139.3 Ų139.375%0.75379%0.787SS**  trans108.290.6150.200000119.6
708Q27.5Very low29.1Very low190 Ų190141.2 Ų141.289%0.88879%0.786SS**  trans-119.1179.1146.4-68.9-157.40.400107.9
709P38.4Very low29.3Very low96 Ų96143.5 Ų143.562%0.62378%0.783SS**  cis-127.2-176-940.3-24.6000112.9
710Y24.3Very low29.6Very low222 Ų222149.1 Ų149.187%0.87179%0.792SS**  -171.9165.1112.7-119.4-87.2000112.6
711S22.4Very low29.8Very low94 Ų94148.2 Ų148.266%0.65779%0.789SS**  trans-113.8158.6178.157.20000112.3
712S23.7Very low29.9Very low122 Ų122149.9 Ų149.985%0.85380%0.798SS**  trans156162.713455.80000112.1
713A26.7Very low29.8Very low95 Ų95145 Ų14579%0.78579%0.793SS**  trans-78.5160.9-168.700000114.3
714V27.2Very low29.8Very low142 Ų142145.4 Ų145.486%0.86180%0.795SS**  trans-133.3138.9158.5-158.90000108.4
715Y26Very low29.1Very low225 Ų225144.7 Ų144.788%0.88280%0.798SS**  trans-81171.6169.6-105.2-105.2000110.7
716S26.3Very low29.4Very low111 Ų111145.5 Ų145.578%0.77680%0.801SS**  trans-55.1148.5164-45.30000112.1
717L30.1Very low29.6Very low138 Ų138143.3 Ų143.372%0.72379%0.791SS**  -170.6142.1111.7-16058.5000112.5
718E30.5Very low29.8Very low153 Ų153145.6 Ų145.672%0.71579%0.79SS**  trans39.1137.1156-71.8152.7-166.200123.4
719E35.2Very low30.1Very low166 Ų166142.7 Ų142.778%0.77678%0.78SS**  trans-77.3134163.3-58-177.1120.600111.1
720Q33.2Very low29.8Very low183 Ų183148.2 Ų148.286%0.85579%0.789SS**  trans-127.8101.5158.2-71.1-166.21.500110.1L722Q720-L722 PolarHBondContact O-N 3.44Å
721Y31Very low30.3Very low211 Ų211143.5 Ų143.583%0.82778%0.777SS**  trans-73.7111.8174.7-103.7-93.1000111
722L31.3Very low30.9Very low169 Ų169147.4 Ų147.489%0.88578%0.782SS**  trans-142.597.5158-159.574.6000110.7Q720Q720-L722 PolarHBondContact O-N 3.44Å
723G29.8Very low31.4Very low69 Ų69150.3 Ų150.371%0.71178%0.78SS**  trans-87.1131.3-179.200000113
724L32.9Very low32Very low172 Ų172151.9 Ų151.990%0.90178%0.775SS**  trans-131.7112.6156.8-74.6178.4000109.2
725A30.1Very low32.2Very low88 Ų88153.2 Ų153.273%0.72777%0.772SS**  trans-86.4-170.1161.900000109.9
726L33.5Very low32.6Very low158 Ų158149.3 Ų149.383%0.82776%0.762SS**  trans80.7140.3-177.9-48.9177.6000115.5
727D32.3Very low33.1Very low133 Ų133152.1 Ų152.171%0.71176%0.762SS**  cis-162.1167.2-34.9-129.3-19.8000112.3
728V33.6Very low33.4Very low120 Ų120153 Ų15373%0.72776%0.763SS**  trans25.7111.4153.7-176.60000119.9
729D34.5Very low33.6Very low130 Ų130153.2 Ų153.270%0.69576%0.764SS**  trans22.8120.2132.7-94.8-52.9000122.3
730R30.9Very low33.7Very low211 Ų211151.3 Ų151.380%0.79676%0.759SS**  54125.4116.9-95.1-177.6155.8-163.40.5122
731I35.2Very low33.7Very low123 Ų123150 Ų15063%0.63175%0.753SS**  trans104.599.6136.6-62.5158.5000119.1
732K33.9Very low33.7Very low176 Ų176143 Ų14377%0.76575%0.745SS**  39.9132.7129.9-43.7-178.2-174.7-171.70119.1
733K35.7Very low34.8Very low183 Ų183141 Ų14180%0.79674%0.742SS**  -169.4129.367.4-87.1-175.8166.1-173.50115.4
734D38.3Very low35.9Very low128 Ų128143.2 Ų143.268%0.68474%0.744SS**  32.9109.5121.5-26-36.4000121.6
735Q31.3Very low36Very low171 Ų171140.1 Ų140.180%0.79974%0.736SS**  trans179145.3143.2-104.1172-6400107.8
736E35.4Very low36.8Very low143 Ų143141.5 Ų141.567%0.66874%0.737SS**  cis-157.9154.17.7-159.9142.4-119.800112.1
737E37Very low36.8Very low169 Ų169144.5 Ų144.579%0.7974%0.737SS**  trans59.8126.5154.1-79.6-179.3174.900127
738E36.2Very low36.7Very low157 Ų157144.9 Ų144.973%0.73474%0.739SS**  93.5133.5128.8-67.2-76.674.500126.5
739E35.1Very low36.7Very low158 Ų158144.2 Ų144.274%0.73874%0.739SS**  trans53.999.8152-62.6-156.1133.900125.7
740D37.2Very low36.7Very low125 Ų125147.5 Ų147.567%0.66874%0.742SS**  94.3151.8105-156.128.8000123
741Q32.5Very low36.8Very low157 Ų157143.6 Ų143.673%0.73473%0.733SS**  trans67.7112.6172.7-54.2-57.5-28.800120.6
742G30.5Very low36.6Very low64 Ų64144.7 Ų144.766%0.6674%0.739SS**  trans-103.3-142.9152.500000110.3
743P55.2Low36.5Very low126 Ų126143.2 Ų143.282%0.81874%0.739SS**  cis-127.5-145.4-13.444-25.8000109.1
744P52.4Low36.2Very low116 Ų116142.2 Ų142.275%0.75374%0.737SS**  cis-132.9176-15.239.8-21.6000116.7
745C35.1Very low35.8Very low107 Ų107140.4 Ų140.472%0.72373%0.73SS**  trans-87.7179.8170.7-38.40000113
746P46.9Very low35.8Very low117 Ų117137.2 Ų137.276%0.7672%0.722SS**  -131153.786.614.87.6000112.9
747R34.7Very low36.2Very low221 Ų221138.8 Ų138.883%0.83473%0.73SS**  67.4143.754.3-62.6-176.7159-176.7-4.4112.9
748L30Very low36.2Very low141 Ų141136.4 Ų136.474%0.73873%0.729SS**  cis-152.3157.130.1-68.6159.9000113.7
749S32.4Very low36.3Very low106 Ų106137.2 Ų137.274%0.74173%0.733SS**  trans51.3161132.468.80000124.5
750R34.2Very low36.3Very low199 Ų199134.8 Ų134.875%0.75173%0.728SS**  cis173.1159.7-24.1-175173.1158.6164.9-10.9107.8
751E33.7Very low36.2Very low129 Ų129135.6 Ų135.660%0.60373%0.732SS**  trans73.5121.6156-93.7142.7-174.100122.1
752L31.7Very low36.1Very low145 Ų145135.7 Ų135.776%0.75973%0.732SS**  trans72.1100.4135.8-62.6168.7000122.3
753L30.8Very low36Very low146 Ų146140 Ų14076%0.76474%0.74SS**  52.6143.194.4-15183.3000120.5
754E30.3Very low34.9Very low161 Ų161138.6 Ų138.675%0.75273%0.734SS**  trans83.4114158-82.7-157.5107.900121.3
755V29.3Very low33.8Very low91 Ų91140.1 Ų140.155%0.55273%0.734SS**  93.199.7121.2169.90000120.2
756V30.8Very low33.5Very low104 Ų104140.5 Ų140.563%0.6373%0.729SS**  72.3121.5125.9174.40000118.6
757E45.1Very low32.6Very low175 Ų175143.7 Ų143.782%0.81873%0.726SS**  trans-55.9157.1164.5-59.8172.4122.100112.7
758P37Very low32.3Very low119 Ų119138.3 Ų138.377%0.77372%0.721SS**  -137.7145.5125.437.5-27.9000113.8
759E38.1Very low32.2Very low175 Ų175142.1 Ų142.182%0.81873%0.727SS**  trans-60.3176.6155.8-46175.3116.800110.3
760V34.3Very low31.9Very low106 Ų106142.3 Ų142.364%0.64273%0.729SS**  cis-162.1140.920.784.70000109.6
761L34.8Very low31.5Very low143 Ų143139.2 Ų139.275%0.74973%0.732SS**  trans56.5-179.7153.6-56.9171.6000116.9
762Q30.1Very low31.8Very low159 Ų159138.6 Ų138.674%0.74374%0.739SS**  cis-154.6125.18.1-157.5159.344.300111.7
763D29.1Very low31.5Very low153 Ų153137.7 Ų137.782%0.81875%0.745SS**  trans-168.1144.4156.3-14755.9000109.1
764S32.5Very low31.3Very low98 Ų98135.7 Ų135.769%0.68574%0.743SS**  cis-136.2155.4-18.716.80000110.5
765L28.5Very low31Very low147 Ų147133.4 Ų133.477%0.7774%0.744SS**  trans-72.2178.2-175.5-71.2155.6000113.7
766D29.9Very low31Very low115 Ų115136 Ų13662%0.61575%0.754SS**  trans77.6142.2150.2-84.4-45.2000117.9
767R28.3Very low30.9Very low185 Ų185138.2 Ų138.270%0.69876%0.757SS**  cis-153.7159.1-4-160.7165.6-74.7155.31.3110.6
768C28Very low30.2Very low107 Ų107137.7 Ų137.772%0.72376%0.755SS**  trans-55.6149.6160.9-42.80000111.3
769Y28.3Very low30.6Very low221 Ų221136.2 Ų136.287%0.86775%0.745SS**  -170.5156.2128.8-93.8-58.5000110.9
770S25.3Very low30.1Very low111 Ų111135 Ų13578%0.77674%0.744SS**  trans-84.9167.2-176.1-52.10000113.9
771T24.8Very low29.6Very low133 Ų133134.6 Ų134.682%0.81675%0.746SS**  trans-27167.4161.524.50000118.9
772P39.9Very low29.2Very low116 Ų116133.6 Ų133.675%0.75375%0.75SS**  cis-135.9-172.2-7.839.4-21.3000114.2
773S27.3Very low29.4Very low126 Ų126134.8 Ų134.888%0.88176%0.756SS**  trans176.7-179137.445.80000112.3
774S24.7Very low29.9Very low104 Ų104132.7 Ų132.773%0.72775%0.75SS**  trans-158.2170.9-157.355.20000114.7
775C24.4Very low29.5Very low113 Ų113139.1 Ų139.176%0.76476%0.761SS**  trans83.5127.5159.8-55.70000119.9
776L29Very low29.4Very low147 Ų147135.4 Ų135.477%0.7776%0.759SS**  167.1101.6128.5-87.3166.3000108
777E30.5Very low29.3Very low150 Ų150135.1 Ų135.170%0.70177%0.766SS**  66.7102.992.7-71-166.8138.200114
778Q28.6Very low29.4Very low163 Ų163130.7 Ų130.776%0.76276%0.763SS**  99.116384.5-92.3-1662200112.6
779P46.1Very low29.5Very low89 Ų89134 Ų13458%0.57877%0.765SS**  cis-137.8-155.5-27.736.6-15.2000113.1
780D26.8Very low29.6Very low149 Ų149133.9 Ų133.980%0.79777%0.765SS**  trans74.2149.7157.6-65.9-18.9000120.7
781S24.5Very low29.8Very low97 Ų97132.8 Ų132.868%0.67876%0.763SS**  cis-170-176.2-18.958.80000111.8
782C27.5Very low30.3Very low122 Ų122134 Ų13482%0.82476%0.763SS**  trans84.1112.9160.7-62.30000122.4
783Q33.9Very low30Very low185 Ų185137 Ų13786%0.86477%0.767SS**  trans-97.2-176.6136.7-69.8-171.6-12.800108.1
784P40.1Very low30.2Very low109 Ų109137.4 Ų137.471%0.70876%0.755SS**  cis-145.3-143.314.444.4-20.7000115.4
785Y23.4Very low30.5Very low232 Ų232140.3 Ų140.391%0.9176%0.755SS**  trans88.5137.9-177.1-83.7-101.1000116.5
786G26.8Very low30.9Very low70 Ų70143.1 Ų143.172%0.72276%0.756SS**  cis-165.5170-0.500000114.2
787S26.3Very low30.8Very low109 Ų109142.3 Ų142.376%0.76276%0.757SS**  trans-84.9166.2-172.767.60000114
788S32.1Very low30.7Very low92 Ų92138.1 Ų138.164%0.64375%0.754SS**  173.5141.872.444.40000116.2
789F29.3Very low30.7Very low175 Ų175140.2 Ų140.277%0.76876%0.761SS**  trans50.2157.8151.8-47.7-56.3000121.4
790Y30.5Very low30.1Very low219 Ų219141 Ų14186%0.85977%0.769SS**  cis-137.8172.410.5-112.5-69.5000112.5
791A29.6Very low30.3Very low88 Ų88141.6 Ų141.673%0.72777%0.771SS**  trans-84.8167.1-169.600000116.9
792L35Very low30.6Very low159 Ų159143.8 Ų143.883%0.83278%0.775SS**  trans-153.4176.2136.6-112.6173.9000111.4
793E34.1Very low30.7Very low178 Ų178143.9 Ų143.983%0.83277%0.772SS**  trans-94.3139.4-147.3-71.6167.6109.400118.8
794E31.5Very low30.5Very low135 Ų135138.7 Ų138.763%0.63177%0.768SS**  trans-47.7138.2151.6-175-141.7144.800114.1
795K31.3Very low30.3Very low165 Ų165142.5 Ų142.572%0.71778%0.776SS**  169.4160.9119.8-91.2176.6179.367.10116.2
796H31.7Very low31Very low173 Ų173140 Ų14080%0.80178%0.777SS**  trans-87.4-174.9-173.9-62-110.2000114.9
797V27Very low31.5Very low129 Ų129144 Ų14478%0.78278%0.777SS**  trans97.4118.1153.3-1680000116.2F799V797-F799 HydrophobicContact CG1-CD2 4.47Å; V797-F799 HydrophobicContact CG1-CE2 4.28Å
798G29Very low32.1Very low62 Ų62146.5 Ų146.564%0.63977%0.774SS**  trans-92.7-162.617100000112.6
799F27.3Very low32.4Very low208 Ų208152.5 Ų152.591%0.91279%0.788SS**  trans-167.1179.6161.1-105.9-64.4000111.9V797V797-F799 HydrophobicContact CG1-CD2 4.47Å; V797-F799 HydrophobicContact CG1-CE2 4.28Å
800S34.5Very low32.6Very low106 Ų106147.9 Ų147.974%0.74179%0.79SS**  trans-121.2-178.6-171.6-46.30000112.9
801L31.3Very low32.7Very low160 Ų160147.9 Ų147.984%0.83879%0.794SS**  trans98.199.3161.5-59.5170.7000119.9
802D30.1Very low32.8Very low144 Ų144146.9 Ų146.977%0.7779%0.792SS**  75.9159.6100.9-157.225.7000122.3
803V29.4Very low32.8Very low124 Ų124149 Ų14975%0.75280%0.795SS**  trans82.4121.5166.5-168.20000118.6
804G31.2Very low32.7Very low75 Ų75148.6 Ų148.677%0.77379%0.79SS**  trans-172.359.2173.100000114.8
805E34.5Very low32.6Very low190 Ų190153.1 Ų153.189%0.88880%0.802SS**  trans-68.6141.7178.1-69-168.5129.800113.9
806I39.3Very low32.6Very low180 Ų180157.2 Ų157.292%0.92381%0.813SS**  trans-142.9127.8153.19.9173.9000111.8
807E37.2Very low32.4Very low154 Ų154152.3 Ų152.372%0.7281%0.809SS**  trans-111.8149.7-173.6-163.5-145.3175.500112.1
808K39.4Very low32.7Very low161 Ų161158 Ų15870%0.782%0.816SS**  trans115.8111.2148.1-60.1150.9-161.9166.10117.2
809K36.6Very low32.9Very low217 Ų217166.1 Ų166.194%0.94383%0.828SS**  -177.9136.895.9-95.1164-171.4168.20111.1
810G33.4Very low33.3Very low78 Ų78162 Ų16280%0.80482%0.824SS**  trans-118.4146.6-175.500000115.9
811K34Very low33.2Very low220 Ų220165.6 Ų165.696%0.95783%0.826SS**  trans-146141.1158.1-61.4177.2-175.2172.10107
812G31.1Very low33.2Very low66 Ų66167.7 Ų167.768%0.6883%0.829SS**  cis156.491.3-15.800000114.8
813K34.3Very low33.2Very low203 Ų203167.3 Ų167.388%0.88382%0.822SS**  trans77.7154.9172-52.2157.3-176.5164.60113.5
814K32.4Very low33.3Very low170 Ų170172.9 Ų172.974%0.73983%0.83SS**  cis-166.4148.34.4-132.3172.7-177.2-178.80111.6
815R29.2Very low33.3Very low231 Ų231179.7 Ų179.787%0.87283%0.832SS**  trans68.1162.3162.2-65.2170.1154.3178-10.7115.2
816R31.1Very low33.1Very low251 Ų251182.8 Ų182.895%0.94784%0.836SS**  cis-80-121.116.6-56.5-174.5179.8-168.9-0.5114.8
817G29.2Very low32.7Very low70 Ų70178 Ų17872%0.72283%0.83SS**  cis-164.8-166.64.700000112.9
818R33.4Very low32.6Very low248 Ų248182.1 Ų182.194%0.93684%0.839SS**  trans-149.3156.7-178.4-64.1175.6176.8-179.4-2.2108.6
819R31.7Very low32.3Very low233 Ų233179.8 Ų179.888%0.87983%0.829SS**  cis92.180.310-153-172.7-158.9-164.98118.2
820S35.5Very low32.2Very low120 Ų120177.6 Ų177.684%0.83982%0.822SS**  trans-115.9131.1150.644.60000107.5
821K32.7Very low32Very low182 Ų182176.9 Ų176.979%0.79182%0.815SS**  cis97.361.54.7-146.9-163.2178.2-155.40117.5E823K821-E823 PolarHBondContact O-N 3.47Å
822K31.7Very low32Very low204 Ų204174.8 Ų174.889%0.88781%0.809SS**  trans-19.3116.7147.2-173.8169.4-171.2161.30113.3
823E29.8Very low32Very low136 Ų136180.8 Ų180.864%0.63682%0.819SS**  trans-100.2134.9178.5-169.7161.9130.300111.6K821 R825K821-E823 PolarHBondContact O-N 3.47Å; E823-R825 HydrophobicContact CG-CG 4.37Å; E823-R825 IonicContact OE1-CZ 3.05Å; E823-R825 VanDerWaalsContact OE1-CZ 3.25Å; E823-R825 IonicContact OE1-NE 2.8Å; E823-R825 PolarHBondContact OE1-NE 2.87Å; E823-R825 IonicContact OE1-NH2 2.63Å; E823-R825 PolarHBondContact OE1-NH2 2.96Å
824R31.7Very low32.1Very low241 Ų241177.5 Ų177.591%0.90981%0.811SS**  trans-115.7134.5165.5-84.2176.6153.4-179-6.8106.8
825R31.2Very low32.2Very low218 Ų218178.2 Ų178.282%0.82382%0.817SS**  trans-111.9135.6171.6-67.5-171.3174.5-172.4-1.4111.1E823E823-R825 HydrophobicContact CG-CG 4.37Å; E823-R825 IonicContact OE1-CZ 3.05Å; E823-R825 VanDerWaalsContact OE1-CZ 3.25Å; E823-R825 IonicContact OE1-NE 2.8Å; E823-R825 PolarHBondContact OE1-NE 2.87Å; E823-R825 IonicContact OE1-NH2 2.63Å; E823-R825 PolarHBondContact OE1-NH2 2.96Å
826R31.4Very low32.3Very low256 Ų256173.5 Ų173.597%0.96681%0.809SS**  trans-164125.8165.9-141.7-180-169-159.22.9113.7
827G29.1Very low32.9Very low78 Ų78167 Ų16780%0.80480%0.8SS**  trans81163165.600000117.3
828R35Very low33.3Very low241 Ų241169.4 Ų169.491%0.90980%0.802SS**  cis-176168.8-21.4-138.5-165.3174.5-156.9-0.1106.9
829K34.9Very low33.2Very low113 Ų113163.5 Ų163.549%0.49180%0.798SS.*  cis-149.3-163.7-2.3-175-124.1131-162.70106
830E32.8Very low33.4Very low170 Ų170158.4 Ų158.479%0.79480%0.795SS**  trans90.7130.5158.6-56.4166.2-165.700115.1
831G29.9Very low33.1Very low63 Ų63163.8 Ų163.865%0.64980%0.797SS**  cis-100.3175.4-12.900000113
832E34.1Very low32.9Very low176 Ų176163.3 Ų163.382%0.82280%0.802SS**  cis73.4125.748-142.4149.4-12100110.7
833E30.3Very low32.7Very low193 Ų193158.1 Ų158.190%0.90278%0.784SS**  cis-132.6-178.835.8-58.4178.4116.100116
834D36.2Very low32.7Very low133 Ų133155.1 Ų155.171%0.71179%0.789SS**  trans-91.7153177.8-84.6-61.8000114.7
835Q35.6Very low32.5Very low185 Ų185150.8 Ų150.886%0.86479%0.789SS**  trans-153.6153.7131.6-79.9-41.7-42.400112.6
836N32.1Very low32.6Very low132 Ų132148.4 Ų148.471%0.70679%0.792SS**  trans-121.9-178.6-178.7-97.5-85.8000109.1
837P42Very low32.5Very low116 Ų116144.5 Ų144.575%0.75379%0.787SS**  cis-148.5-143.330.852.6-29.6000113.6
838P39.4Very low32.9Very low119 Ų119149.1 Ų149.177%0.77379%0.788SS**  trans-127.1-171.9-141.229.8-1.3000116.9
839C29.8Very low32.7Very low125 Ų125143.4 Ų143.485%0.84578%0.779SS**  trans-77.2162.6-171.4-35.30000116.8
840P37Very low32.5Very low126 Ų126145.7 Ų145.782%0.81879%0.792SS**  trans-109.4168.2153.537.5-29000113.9
841R28.2Very low32.3Very low232 Ų232145.9 Ų145.988%0.87579%0.792SS**  trans-122.6165.4176.4-66170.4164.3173.7-8.4110.4
842L29.6Very low32.2Very low173 Ų173152.8 Ų152.891%0.90680%0.799SS**  trans-173.7170.2136.4-103.3163.8000113.7
843N27.3Very low32.1Very low95 Ų95151.4 Ų151.451%0.50879%0.792SS.*  trans-109.4166.3-171.5-69.2-39.2000113.3L228L228-N843 HydrophobicContact CD2-CB 4.2Å
844G29Very low32.1Very low72 Ų72147.8 Ų147.874%0.74278%0.783SS**  trans-177.180.6167.700000118.8
845V28.7Very low31.8Very low150 Ų150149 Ų14991%0.90979%0.789SS**  trans36.4132.6142.1-177.80000121.8
846L31.8Very low31.6Very low168 Ų168148.4 Ų148.488%0.8879%0.786SS**  trans-78.1159.5168.6-80.5166.8000114.3
847M30.7Very low31.5Very low174 Ų174149.9 Ų149.986%0.85779%0.794SS**  trans-143.5138.4157.5-159-176.483.400110.2
848E36.3Very low30.9Very low176 Ų176149.7 Ų149.782%0.82280%0.796SS**  trans-84.6170.2174.7-57.4165.7131.400111.2
849V31.5Very low30.6Very low120 Ų120152 Ų15273%0.72780%0.801SS**  trans177130.6134.9143.90000113.9
850E30.5Very low30.5Very low162 Ų162152 Ų15276%0.75779%0.792SS**  trans40.1115.5150.5-58.3175.3105.700124.5
851E28.9Very low30Very low173 Ų173154.7 Ų154.781%0.80879%0.786SS**  5.2147.8126-53.5-177.8140.400122.6
852R28.1Very low30Very low209 Ų209148.1 Ų148.179%0.78977%0.774SS**  -179.7125.5114.9-94.9173.7-176-130.1-6.2111
853E31.3Very low29.8Very low146 Ų146149.3 Ų149.368%0.68277%0.768SS**  85153.572.2-75.9-162.3118.300115.7
854V30.2Very low29.8Very low117 Ų117149.8 Ų149.871%0.70978%0.779SS**  trans100.990.7152.6-164.70000121.1
855L30.3Very low29.7Very low160 Ų160152.8 Ų152.884%0.83878%0.783SS**  trans85.7164.3132.1-71.5175.9000125.3
856Q30.1Very low30.2Very low172 Ų172151.3 Ų151.380%0.80478%0.776SS**  trans-130.9-154.2-163.6-54.2172.3-91.200111.3
857D30.2Very low29.8Very low162 Ų162148 Ų14887%0.86677%0.767SS**  trans80.5146.8173.6-67.9-14.1000117.1
858S30.4Very low29.6Very low113 Ų113146.3 Ų146.379%0.7976%0.759SS**  cis-143.9165.48.658.30000114.6
859L32.5Very low29Very low168 Ų168147.1 Ų147.188%0.8876%0.756SS**  trans-97.2146.4174.4-76.7164.2000113.3
860D28.8Very low28.8Very low124 Ų124150.5 Ų150.566%0.66376%0.761SS**  trans-178.1155.5153.8-107.2-9.1000110
861R26.6Very low28.7Very low183 Ų183151.7 Ų151.769%0.69177%0.767SS**  cis-161.1161-14.6-171.7163-70.3-175.36.6109.9
862C26.4Very low28.9Very low93 Ų93151.3 Ų151.363%0.62877%0.77SS**  trans-12156.5165-510000119.9
863Y27.3Very low29.4Very low198 Ų198146.4 Ų146.478%0.77676%0.764SS**  -161138.951.8-81.7-86.9000117.1
864S26.2Very low29.3Very low106 Ų106146.3 Ų146.374%0.74177%0.769SS**  trans65.4112.5130.3-60.30000125
865T27.3Very low29Very low134 Ų134145.7 Ų145.782%0.82277%0.769SS**  trans-59.1-175.9139.438.90000112.7
866P38.6Very low29Very low119 Ų119147.7 Ų147.777%0.77377%0.772SS**  cis-148.8-160.221.744.9-22.5000117.6
867S24Very low29Very low99 Ų99147.7 Ų147.769%0.69277%0.772SS**  trans115.9131.9140.4-153.10000116.7
868M25.6Very low28.9Very low138 Ų138148.1 Ų148.168%0.6877%0.768SS**  cis-164.7150.5-11.1-115.7173.440.600112
869Y25.2Very low28.6Very low194 Ų194152.9 Ų152.976%0.76177%0.771SS**  trans69.6132.1155.6-72.7-150.7000117.6
870F27.2Very low28.2Very low190 Ų190156.6 Ų156.683%0.83377%0.773SS**  cis88.8104.349.3-105.8-78.7000114
871E27.1Very low28.1Very low188 Ų188155 Ų15588%0.87977%0.771SS**  173.5156.2126.3-94.1167.8-174.600112.3
872L33.5Very low28Very low165 Ų165152 Ų15286%0.86477%0.773SS**  trans-129.5158.8171.2-82.5169.7000106.2
873P38.3Very low28Very low105 Ų105156.3 Ų156.368%0.68278%0.781SS**  cis-144.5-174.331.643.6-23.8000116.9
874D28.7Very low28Very low145 Ų145156.7 Ų156.778%0.77578%0.783SS**  trans27.5122.7149.8-51.7-25.6000122.3
875S25.8Very low28Very low103 Ų103157.3 Ų157.372%0.7279%0.787SS**  177.1169.2122.841.10000112.8
876F29.7Very low28Very low203 Ų203160.2 Ų160.289%0.8979%0.789SS**  trans79.8111.2172.8-65.2-82.2000119.4
877Q30.2Very low27.6Very low171 Ų171163.1 Ų163.180%0.79979%0.792SS**  trans-88.8151.3167.6-75.8-88.23.300111.3
878H27.4Very low27.8Very low171 Ų171165.3 Ų165.379%0.79279%0.791SS**  trans-165.1130.4133.7-96.3-27.3000113.4
879Y23.9Very low27.9Very low214 Ų214166.8 Ų166.884%0.83980%0.796SS**  trans28.5110154.7-71.8-84.7000119.8
880R25.3Very low28.1Very low246 Ų246164.1 Ų164.193%0.92879%0.791SS**  trans-122.3129144.1-148.3173.9-169.9-176.91.3109
881S25.4Very low28.1Very low89 Ų89161.3 Ų161.362%0.62278%0.783SS**  trans-63.5137.4-179.9-173.90000111.1F883S881-F883 VanDerWaalsContact C-N 3.31Å; S881-F883 PolarHBondContact O-N 3.17Å
882V24.4Very low28.1Very low122 Ų122157.3 Ų157.374%0.73978%0.776SS**  trans-80.881.5171.8-173.90000108.9Y884V882-Y884 HydrophobicContact CG1-CE2 4.42Å
883F26.6Very low27.7Very low182 Ų182158.2 Ų158.280%0.79877%0.773SS**  trans-87.5118.2157.2-80.6-75.7000108.5S881 S885S881-F883 VanDerWaalsContact C-N 3.31Å; S881-F883 PolarHBondContact O-N 3.17Å; F883-S885 PolarHBondContact O-N 3.48Å
884Y27.1Very low27.3Very low207 Ų207157.7 Ų157.781%0.81278%0.778SS**  trans-59.2119.8165.2-80.5-96.9000108.3V882 F886V882-Y884 HydrophobicContact CG1-CE2 4.42Å; Y884-F886 PolarHBondContact O-N 3.22Å
885S26.5Very low27.3Very low118 Ų118158 Ų15883%0.82578%0.779SS**  trans-69.585.416552.90000108.2F883 E887F883-S885 PolarHBondContact O-N 3.48Å; S885-E887 PolarHBondContact O-N 2.93Å
886F27.9Very low27.3Very low196 Ų196163 Ų16386%0.8678%0.783SS**  trans-61.8124.4166.2-138.2-87.1000107Y884 E888Y884-F886 PolarHBondContact O-N 3.22Å; F886-E888 PolarHBondContact O-N 3.48Å
887E30.2Very low27.4Very low180 Ų180158.6 Ų158.684%0.84177%0.773SS**  trans-76.493.4-174.2-160.2155.9-146.100108.2S885 Q889S885-E887 PolarHBondContact O-N 2.93Å; E887-Q889 PolarHBondContact O-N 2.88Å
888E27.7Very low27.5Very low145 Ų145156.5 Ų156.568%0.67877%0.767SS**  trans-69.988.6-166.1-164-175.1162.300111.3F886 H890F886-E888 PolarHBondContact O-N 3.48Å; E888-H890 VanDerWaalsContact C-N 3.32Å; E888-H890 PolarHBondContact O-N 3.34Å; E888-H890 IonicContact OE1-CE1 3.52Å; E888-H890 PolarHBondContact OE1-CE1 3.48Å; E888-H890 VanDerWaalsContact OE1-CE1 3.32Å; E888-H890 IonicContact OE1-ND1 2.68Å; E888-H890 PolarHBondContact OE1-ND1 2.87Å; E888-H890 VanDerWaalsContact OE1-ND1 3.16Å; E888-H890 IonicContact OE2-CE1 3.66Å
889Q28.6Very low27.6Very low168 Ų168153.5 Ų153.579%0.78576%0.757SS**  trans-6594167.3-66.3-174.60.800108.6E887 I891E887-Q889 PolarHBondContact O-N 2.88Å; Q889-I891 VanDerWaalsContact C-N 3.32Å; Q889-I891 PolarHBondContact O-N 3.45Å
890H29.2Very low28.1Very low138 Ų138152.5 Ų152.564%0.63975%0.751SS**  trans-63.289.4177.2-64.1-52.9000111E888 S892E888-H890 VanDerWaalsContact C-N 3.32Å; E888-H890 PolarHBondContact O-N 3.34Å; E888-H890 IonicContact OE1-CE1 3.52Å; E888-H890 PolarHBondContact OE1-CE1 3.48Å; E888-H890 VanDerWaalsContact OE1-CE1 3.32Å; E888-H890 IonicContact OE1-ND1 2.68Å; E888-H890 PolarHBondContact OE1-ND1 2.87Å; E888-H890 VanDerWaalsContact OE1-ND1 3.16Å; E888-H890 IonicContact OE2-CE1 3.66Å; H890-S892 PolarHBondContact O-N 3.05Å
891I27.3Very low28.5Very low131 Ų131149.8 Ų149.867%0.67275%0.747SS**  trans-73.980.9166-57.2177.8000107.3Q889 F893Q889-I891 VanDerWaalsContact C-N 3.32Å; Q889-I891 PolarHBondContact O-N 3.45Å; I891-F893 HydrophobicContact CG2-CD2 3.89Å; I891-F893 HydrophobicContact CG2-CE2 3.74Å; I891-F893 PolarHBondContact O-N 2.9Å
892S27Very low28.7Very low105 Ų105153.8 Ų153.873%0.73475%0.753SS**  trans-68.491177-59.80000110.8H890 A894H890-S892 PolarHBondContact O-N 3.05Å; S892-A894 PolarHBondContact O-N 3.1Å
893F25.6Very low29.1Very low183 Ų183154.3 Ų154.380%0.80376%0.757SS**  trans-65.583.9166.7-88.8-84.2000110.5I891 L895I891-F893 HydrophobicContact CG2-CD2 3.89Å; I891-F893 HydrophobicContact CG2-CE2 3.74Å; I891-F893 PolarHBondContact O-N 2.9Å; F893-L895 PolarHBondContact O-N 2.84Å
894A29.5Very low29.1Very low94 Ų94152.7 Ų152.778%0.77776%0.756SS**  trans-71.593.1169.300000109.5S892 Y896S892-A894 PolarHBondContact O-N 3.1Å; A894-Y896 PolarHBondContact O-N 3.43Å
895L27.7Very low29.2Very low153 Ų153148.6 Ų148.680%0.80175%0.752SS**  trans-64.5103.9166.3-71.3175.4000108.7F893 V897F893-L895 PolarHBondContact O-N 2.84Å; L895-V897 VanDerWaalsContact C-N 3.29Å; L895-V897 PolarHBondContact O-N 3.1Å
896Y26.7Very low29.4Very low208 Ų208149.5 Ų149.582%0.81675%0.753SS**  trans-73.685.1174-165.4-87.2000108.9A894 D898A894-Y896 PolarHBondContact O-N 3.43Å; Y896-D898 PolarHBondContact O-N 2.99Å
897V32.1Very low29.4Very low110 Ų110145.5 Ų145.567%0.66775%0.745SS**  trans-76.4111.5173.3-179.90000108L895 N899L895-V897 VanDerWaalsContact C-N 3.29Å; L895-V897 PolarHBondContact O-N 3.1Å; V897-N899 PolarHBondContact O-N 3.41Å
898D31.1Very low29.3Very low126 Ų126141.3 Ų141.367%0.67474%0.735SS**  trans-57.6127.2171.1-92.5-54.6000110.3Y896Y896-D898 PolarHBondContact O-N 2.99Å
899N29.9Very low29.3Very low109 Ų109141.4 Ų141.458%0.58374%0.74SS**  trans-154.698.8170.5-122.9-85.4000110.9V897V897-N899 PolarHBondContact O-N 3.41Å
900R35.2Very low29.3Very low192 Ų192141.4 Ų141.473%0.72574%0.739SS**  trans-99.6126.1163.6-67.1-173.5-179.8-163.1-0.6107.9
901F32.6Very low29.2Very low190 Ų190141.5 Ų141.583%0.83374%0.744SS**  trans74.264.3176.9-52.3-74.9000117.7
902F28.9Very low29.3Very low172 Ų172141 Ų14175%0.75475%0.746SS**  trans-110.9111.8140.5-102.2-87.8000110.1L904F902-L904 VanDerWaalsContact C-N 3.33Å; F902-L904 PolarHBondContact O-N 2.87Å
903T32.7Very low29.3Very low134 Ų134145.1 Ų145.182%0.82275%0.751SS**  trans-80.379.1173.7480000110.3T905T903-T905 PolarHBondContact O-N 3.14Å
904L28.2Very low29.5Very low147 Ų147144.9 Ų144.977%0.7775%0.753SS**  trans-71.8112.6172-90.2165.5000110.9F902 V906F902-L904 VanDerWaalsContact C-N 3.33Å; F902-L904 PolarHBondContact O-N 2.87Å; L904-V906 PolarHBondContact O-N 3.5Å
905T29.2Very low29.4Very low121 Ų121148.5 Ų148.574%0.74276%0.756SS**  trans-63.8114.3162.845.60000109.3T903 T907T903-T905 PolarHBondContact O-N 3.14Å; T905-T907 PolarHBondContact O-N 2.84Å
906V29.4Very low29.4Very low137 Ų137144.4 Ų144.483%0.8375%0.75SS**  trans-7291.1-177.3-177.60000110.8L904 S908L904-V906 PolarHBondContact O-N 3.5Å; V906-S908 PolarHBondContact O-N 3.02Å
907T29.5Very low29.6Very low113 Ų113139.7 Ų139.769%0.69374%0.743SS**  trans-76.3100.716548.60000109.3T905 L909T905-T907 PolarHBondContact O-N 2.84Å; T907-L909 PolarHBondContact O-N 3.21Å
908S26.7Very low29.5Very low92 Ų92142 Ų14264%0.64375%0.75SS**  trans-70.595.3179.5-1710000111.6V906 H910V906-S908 PolarHBondContact O-N 3.02Å; S908-H910 PolarHBondContact O-N 3.44Å
909L28.1Very low29.5Very low147 Ų147144.2 Ų144.277%0.7775%0.754SS**  trans-86.293.6172.5-84.7166.3000110.3T907 L911T907-L909 PolarHBondContact O-N 3.21Å; L909-L911 VanDerWaalsContact C-N 3.29Å; L909-L911 PolarHBondContact O-N 3.28Å
910H28.6Very low30.1Very low167 Ų167145 Ų14577%0.77377%0.765SS**  trans-67.882.6168.2-89.5-91.2000111.2S908 V912S908-H910 PolarHBondContact O-N 3.44Å; H910-V912 PolarHBondContact O-N 2.95Å; H910-V912 VanDerWaalsContact O-N 3.16Å
911L27.6Very low30.1Very low140 Ų140148.4 Ų148.473%0.73379%0.789SS**  trans-79.292.1169.1-91.8165.3000110.6L909 F913L909-L911 VanDerWaalsContact C-N 3.29Å; L909-L911 PolarHBondContact O-N 3.28Å; L911-F913 PolarHBondContact O-N 3.12Å
912V28.2Very low30Very low121 Ų121146.4 Ų146.473%0.73379%0.787SS**  trans-72.1102.8172.6178.60000109.5H910 Q914H910-V912 PolarHBondContact O-N 2.95Å; H910-V912 VanDerWaalsContact O-N 3.16Å; V912-Q914 PolarHBondContact O-N 3.28Å; V912-Q914 VanDerWaalsContact O-N 3.11Å
913F28.1Very low30.1Very low191 Ų191145 Ų14584%0.83879%0.788SS**  trans-75.195.8168.6-95.8-85.7000110.6L911 M915L911-F913 PolarHBondContact O-N 3.12Å; F913-M915 PolarHBondContact O-N 2.97Å
914Q29.2Very low29.9Very low178 Ų178145.6 Ų145.683%0.83279%0.787SS**  trans-82.3103.8174.6-167.7172.415.500110.1V912 G916V912-Q914 PolarHBondContact O-N 3.28Å; V912-Q914 VanDerWaalsContact O-N 3.11Å; Q914-G916 PolarHBondContact O-N 3.17Å
915M27.5Very low30Very low171 Ų171145.5 Ų145.584%0.84279%0.788SS**  trans-65.289.4175-83.9-92.4-76.900111.5F913 V917F913-M915 PolarHBondContact O-N 2.97Å; M915-V917 PolarHBondContact O-N 3.21Å; M915-V917 VanDerWaalsContact O-N 3.1Å
916G27.6Very low30.1Very low66 Ų66147.1 Ų147.168%0.6879%0.79SS**  trans-75.389175.100000112.3Q914 I918Q914-G916 PolarHBondContact O-N 3.17Å; G916-I918 PolarHBondContact O-N 3.37Å
917V31.4Very low30.1Very low110 Ų110147.7 Ų147.767%0.66779%0.788SS**  trans-70.6113.2170.5179.80000109.4M915 F919M915-V917 PolarHBondContact O-N 3.21Å; M915-V917 VanDerWaalsContact O-N 3.1Å; V917-F919 HydrophobicContact CG1-CD2 3.96Å; V917-F919 HydrophobicContact CG1-CE2 3.77Å
918I30.7Very low30.1Very low157 Ų157150.2 Ų150.281%0.80580%0.795SS**  trans-102.7113.9171.6-60.4178.7000108.6G916G916-I918 PolarHBondContact O-N 3.37Å
919F30.1Very low30.4Very low174 Ų174154.7 Ų154.776%0.76381%0.806SS**  trans-79.5131.8168.3-79.9-97.5000110.2V917 Q921V917-F919 HydrophobicContact CG1-CD2 3.96Å; V917-F919 HydrophobicContact CG1-CE2 3.77Å; F919-Q921 PolarHBondContact O-N 3.35Å
920P42.6Very low30.6Very low124 Ų124155.3 Ų155.381%0.80581%0.809SS**  trans-82.195.7166.732-31.1000110.9
921Q35.6Very low30.8Very low265 Ų265154.3 Ų154.3100%1.23881%0.812SS**  trans69.50175.4-65.6-172-16.300117.3F919F919-Q921 PolarHBondContact O-N 3.35Å

Retrieved 921 of 921 residues in 289.6 ms (Link to these results)