A0A067ZXQ4_HUMAN Loading...

Nuclear pore complex-interacting protein B type

AlphaFold DB , UniProt , Accession A0A067ZXQ4, Species HUMAN (Homo sapiens, Human), Gene NPIPB, Length 390 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M32.8Very low36.4Very low242 Ų242145.1 Ų145.1100%1.19278%0.784SS**  094.60-175.6174.8179.500107
2V28Very low37.1Very low136 Ų136144.2 Ų144.282%0.82477%0.768SS**  trans-86.1119-171.2-177.60000109L4V2-L4 PolarHBondContact O-N 3.5Å
3K35.1Very low38.1Very low192 Ų192147 Ų14784%0.83578%0.782SS**  trans-81.2108167.8-84.2-179.2173.3178.10107.8S5K3-S5 VanDerWaalsContact C-N 3.26Å; K3-S5 PolarHBondContact O-N 2.84Å
4L30.8Very low38.7Very low145 Ų145142.4 Ų142.476%0.75977%0.767SS**  trans-81.276.7170.8-160.479.1000109.2V2 I6V2-L4 PolarHBondContact O-N 3.5Å; L4-I6 VanDerWaalsContact C-N 3.33Å; L4-I6 HydrophobicContact CD2-CD1 4.08Å; L4-I6 HydrophobicContact CD2-CG1 4.11Å; L4-I6 HydrophobicContact CG-CG1 4.14Å; L4-I6 PolarHBondContact O-N 3.16Å; L4-I6 VanDerWaalsContact O-N 3.1Å
5S35.7Very low39.7Very low96 Ų96146.5 Ų146.567%0.67178%0.779SS**  trans-7689.1166.4490000108.4K3 V7K3-S5 VanDerWaalsContact C-N 3.26Å; K3-S5 PolarHBondContact O-N 2.84Å; S5-V7 VanDerWaalsContact C-N 3.3Å; S5-V7 PolarHBondContact O-N 3.17Å
6I38.3Very low40.9Very low117 Ų117143.5 Ų143.560%0.676%0.763SS**  trans-66.499.3164.1-60.2173.9000105.9L4 L8L4-I6 VanDerWaalsContact C-N 3.33Å; L4-I6 HydrophobicContact CD2-CD1 4.08Å; L4-I6 HydrophobicContact CD2-CG1 4.11Å; L4-I6 HydrophobicContact CG-CG1 4.14Å; L4-I6 PolarHBondContact O-N 3.16Å; L4-I6 VanDerWaalsContact O-N 3.1Å; I6-L8 HydrophobicContact CG2-CD1 4.19Å; I6-L8 PolarHBondContact O-N 3.1Å; I6-L8 VanDerWaalsContact O-N 3.08Å
7V34.3Very low41.6Very low117 Ų117144.9 Ų144.971%0.70976%0.764SS**  trans-66.6103170.2174.50000106.2S5 T9S5-V7 VanDerWaalsContact C-N 3.3Å; S5-V7 PolarHBondContact O-N 3.17Å; V7-T9 PolarHBondContact O-N 3.22Å
8L38.4Very low43Very low147 Ų147138.7 Ų138.777%0.7774%0.741SS**  trans-66.7105.5165.9-94.480.4000107.6I6I6-L8 HydrophobicContact CG2-CD1 4.19Å; I6-L8 PolarHBondContact O-N 3.1Å; I6-L8 VanDerWaalsContact O-N 3.08Å
9T39.3Very low43.9Very low98 Ų98137.2 Ų137.260%0.60173%0.729SS**  trans-61.5136.9170.84.40000109.8V7 Q11V7-T9 PolarHBondContact O-N 3.22Å; T9-Q11 VanDerWaalsContact C-N 3.3Å; T9-Q11 PolarHBondContact O-N 2.89Å
10P43.9Very low44.9Very low130 Ų130134.6 Ų134.684%0.84472%0.715SS**THydrogen-bonded Turntrans-85.264.6-169.635.7-37.5000112
11Q44.1Very low45.8Very low176 Ų176132 Ų13282%0.82271%0.705SS**THydrogen-bonded Turntrans-125.14.8176-73.9-153.9-0.800115.6T9 L13T9-Q11 VanDerWaalsContact C-N 3.3Å; T9-Q11 PolarHBondContact O-N 2.89Å; Q11-L13 VanDerWaalsContact C-N 3.33Å; Q11-L13 PolarHBondContact O-N 3.21Å
12F44.7Very low47.7Very low134 Ų134127.3 Ų127.359%0.58868%0.678SS**  trans-94.360.8173.8-61.6-71.8000112L20F12-L20 HydrophobicContact CB-CD1 3.8Å; F12-L20 HydrophobicContact CD1-CD1 4.15Å; F12-L20 HydrophobicContact CG-CD1 4.06Å
13L50.3Low49.5Very low181 Ų181125.4 Ų125.495%0.94866%0.66SS**  trans-9971.6168.1-155.893.4000109.3Q11Q11-L13 VanDerWaalsContact C-N 3.33Å; Q11-L13 PolarHBondContact O-N 3.21Å
14S46.4Very low51Low83 Ų83121.5 Ų121.558%0.5865%0.647SS**  trans-127.3139.3174.6-177.80000110.1D16S14-D16 VanDerWaalsContact C-N 3.29Å; S14-D16 PolarHBondContact O-N 2.92Å
15H53.7Low52.7Low203 Ų203119.6 Ų119.694%0.9464%0.635SS**SBendtrans-91.329.7-163.9-152.880.3000113.7
16D58Low54.3Low99 Ų99121.2 Ų121.253%0.52963%0.631SS.*  trans-137.9112.9177.1-165.7-20.8000112.5S14 G18 Q19 L20S14-D16 VanDerWaalsContact C-N 3.29Å; S14-D16 PolarHBondContact O-N 2.92Å; D16-G18 PolarHBondContact O-N 2.95Å; D16-G18 PolarHBondContact OD1-N 3.08Å; D16-Q19 HydrophobicContact CB-CB 4.46Å; D16-Q19 PolarHBondContact O-N 2.99Å; D16-Q19 VanDerWaalsContact O-N 3.16Å; D16-L20 PolarHBondContact O-N 3.44Å
17Q53.5Low55.4Low167 Ų167120.9 Ų120.978%0.7863%0.627SS**Hα-helixtrans-63.9-26.1-179.4-171.1173.4-14.200112.7Q19 T21Q17-Q19 VanDerWaalsContact C-N 3.34Å; Q17-T21 WeakPolarHBondContact O-CG2 3.46Å; Q17-T21 PolarHBondContact O-N 2.78Å; Q17-T21 PolarHBondContact O-OG1 3.22Å
18G66.6Low56.8Low34 Ų34118.7 Ų118.735%0.35161%0.614SS.*Hα-helixtrans-74.9-19.6176.400000114.2D16 T21 K22D16-G18 PolarHBondContact O-N 2.95Å; D16-G18 PolarHBondContact OD1-N 3.08Å; G18-T21 PolarHBondContact O-OG1 3.48Å; G18-K22 WeakPolarHBondContact O-CD 3.33Å; G18-K22 WeakPolarHBondContact O-CG 3.29Å
19Q59.5Low58.1Low109 Ų109117.9 Ų117.951%0.50960%0.604SS.*Hα-helixtrans-90.8-43.4177.1-160.9176.929.100111.3D16 Q17 T21 K22 E23D16-Q19 HydrophobicContact CB-CB 4.46Å; D16-Q19 PolarHBondContact O-N 2.99Å; D16-Q19 VanDerWaalsContact O-N 3.16Å; Q17-Q19 VanDerWaalsContact C-N 3.34Å; Q19-T21 VanDerWaalsContact C-N 3.26Å; Q19-T21 PolarHBondContact O-N 3.2Å; Q19-K22 PolarHBondContact O-N 3.24Å; Q19-K22 VanDerWaalsContact O-N 3.09Å; Q19-E23 PolarHBondContact O-N 3.36Å; Q19-E23 VanDerWaalsContact O-N 3.14Å
20L64.6Low58.9Low85 Ų85117.6 Ų117.645%0.44561%0.606SS.*Hα-helixtrans-57.4-38.5177-174.468.2000112.6F12 D16 L24F12-L20 HydrophobicContact CB-CD1 3.8Å; F12-L20 HydrophobicContact CD1-CD1 4.15Å; F12-L20 HydrophobicContact CG-CD1 4.06Å; D16-L20 PolarHBondContact O-N 3.44Å; L20-L24 VanDerWaalsContact O-CB 3.27Å; L20-L24 WeakPolarHBondContact O-CB 3.48Å; L20-L24 PolarHBondContact O-N 3.47Å
21T64.3Low59.4Low81 Ų81116 Ų11650%0.49759%0.594SS.*Hα-helixtrans-67.1-34.9177.842.60000112.7Q17 G18 Q19 Q25Q17-T21 WeakPolarHBondContact O-CG2 3.46Å; Q17-T21 PolarHBondContact O-N 2.78Å; Q17-T21 PolarHBondContact O-OG1 3.22Å; G18-T21 PolarHBondContact O-OG1 3.48Å; Q19-T21 VanDerWaalsContact C-N 3.26Å; Q19-T21 PolarHBondContact O-N 3.2Å; T21-Q25 WeakPolarHBondContact O-CB 3.48Å; T21-Q25 PolarHBondContact O-N 2.81Å
22K72.3Confident59.7Low144 Ų144110.7 Ų110.763%0.62657%0.574SS**Hα-helixtrans-69-48175.8-67.9172.8-175.2174.40111.3G18 Q19 Q25 Q26G18-K22 WeakPolarHBondContact O-CD 3.33Å; G18-K22 WeakPolarHBondContact O-CG 3.29Å; Q19-K22 PolarHBondContact O-N 3.24Å; Q19-K22 VanDerWaalsContact O-N 3.09Å; K22-Q25 PolarHBondContact O-N 3.4Å; K22-Q26 WeakPolarHBondContact O-CB 3.46Å; K22-Q26 PolarHBondContact O-N 3.45Å
23E65.2Low59.6Low96 Ų96107.8 Ų107.845%0.44957%0.569SS.*Hα-helixtrans-59.2-48.1175.8-73.9-58.9133.100111.9Q19 Q25 Q26 H27Q19-E23 PolarHBondContact O-N 3.36Å; Q19-E23 VanDerWaalsContact O-N 3.14Å; E23-Q25 VanDerWaalsContact C-N 3.33Å; E23-Q25 PolarHBondContact O-N 2.97Å; E23-Q26 PolarHBondContact O-N 3.12Å; E23-H27 WeakPolarHBondContact O-CB 3.41Å; E23-H27 PolarHBondContact O-N 3.23Å
24L67.8Low59.3Low109 Ų109104.8 Ų104.857%0.57156%0.56SS**Hα-helixtrans-62-41.1177-175.365000111.7L20 H27 V28L20-L24 VanDerWaalsContact O-CB 3.27Å; L20-L24 WeakPolarHBondContact O-CB 3.48Å; L20-L24 PolarHBondContact O-N 3.47Å; L24-H27 PolarHBondContact O-N 2.93Å; L24-V28 WeakPolarHBondContact O-CB 3.36Å; L24-V28 VanDerWaalsContact O-CG2 3.26Å; L24-V28 WeakPolarHBondContact O-CG2 3.36Å; L24-V28 PolarHBondContact O-N 3.42Å
25Q66.9Low59.4Low106 Ų106104 Ų10450%0.49555%0.554SS.*Hα-helixtrans-68.3-35177.6-160.3-166.953.400111.8T21 K22 E23 K29T21-Q25 WeakPolarHBondContact O-CB 3.48Å; T21-Q25 PolarHBondContact O-N 2.81Å; K22-Q25 PolarHBondContact O-N 3.4Å; E23-Q25 VanDerWaalsContact C-N 3.33Å; E23-Q25 PolarHBondContact O-N 2.97Å; Q25-K29 HydrophobicContact CG-CD 4.4Å; Q25-K29 VanDerWaalsContact O-CB 3.31Å; Q25-K29 WeakPolarHBondContact O-CB 3.26Å; Q25-K29 WeakPolarHBondContact O-CD 3.47Å; Q25-K29 WeakPolarHBondContact O-CG 3.36Å; Q25-K29 PolarHBondContact O-N 3.42Å
26Q67.8Low59.3Low129 Ų129101 Ų10160%0.60354%0.54SS*.Hα-helixtrans-70-40.1175.6-172.8156.6-34.400111.7K22 E23 K29 S30K22-Q26 WeakPolarHBondContact O-CB 3.46Å; K22-Q26 PolarHBondContact O-N 3.45Å; E23-Q26 PolarHBondContact O-N 3.12Å; Q26-K29 PolarHBondContact O-N 3.45Å; Q26-S30 PolarHBondContact O-N 3.05Å; Q26-S30 PolarHBondContact O-OG 3.4Å
27H61.3Low58.7Low110 Ų110105.3 Ų105.351%0.50955%0.551SS.*Hα-helixtrans-66.2-42172.7-17059.6000112.1E23 L24 K29 S30 V31E23-H27 WeakPolarHBondContact O-CB 3.41Å; E23-H27 PolarHBondContact O-N 3.23Å; L24-H27 PolarHBondContact O-N 2.93Å; H27-K29 VanDerWaalsContact C-N 3.34Å; H27-K29 PolarHBondContact O-N 3.49Å; H27-S30 PolarHBondContact O-N 3.3Å; H27-S30 PolarHBondContact O-OG 3.16Å; H27-S30 VanDerWaalsContact O-OG 3.07Å; H27-V31 WeakPolarHBondContact O-CB 3.39Å; H27-V31 VanDerWaalsContact O-CG2 3.26Å; H27-V31 WeakPolarHBondContact O-CG2 3.44Å; H27-V31 PolarHBondContact O-N 3.13Å
28V64.8Low58.7Low72 Ų72101.4 Ų101.444%0.43654%0.535SS..Hα-helixtrans-64.3-38.6173.1169.70000111.2L24 T32L24-V28 WeakPolarHBondContact O-CB 3.36Å; L24-V28 VanDerWaalsContact O-CG2 3.26Å; L24-V28 WeakPolarHBondContact O-CG2 3.36Å; L24-V28 PolarHBondContact O-N 3.42Å; V28-T32 WeakPolarHBondContact O-CA 3.32Å; V28-T32 WeakPolarHBondContact O-CB 3.34Å; V28-T32 PolarHBondContact O-N 2.86Å; V28-T32 PolarHBondContact O-OG1 2.91Å
29K64.3Low58.1Low129 Ų129105.7 Ų105.756%0.56154%0.54SS*.Hα-helixtrans-64.5-37.7175.2-78.6163.2178167.90112.8Q25 Q26 H27Q25-K29 HydrophobicContact CG-CD 4.4Å; Q25-K29 VanDerWaalsContact O-CB 3.31Å; Q25-K29 WeakPolarHBondContact O-CB 3.26Å; Q25-K29 WeakPolarHBondContact O-CD 3.47Å; Q25-K29 WeakPolarHBondContact O-CG 3.36Å; Q25-K29 PolarHBondContact O-N 3.42Å; Q26-K29 PolarHBondContact O-N 3.45Å; H27-K29 VanDerWaalsContact C-N 3.34Å; H27-K29 PolarHBondContact O-N 3.49Å
30S57.4Low57.9Low92 Ų92108.2 Ų108.264%0.64355%0.55SS*.Hα-helixtrans-79.2-34.3178.864.60000113.3Q26 H27Q26-S30 PolarHBondContact O-N 3.05Å; Q26-S30 PolarHBondContact O-OG 3.4Å; H27-S30 PolarHBondContact O-N 3.3Å; H27-S30 PolarHBondContact O-OG 3.16Å; H27-S30 VanDerWaalsContact O-OG 3.07Å
31V53.7Low57.5Low98 Ų98107.5 Ų107.559%0.59455%0.549SS*.Hα-helixtrans-79.1-23176.8175.80000112.4H27H27-V31 WeakPolarHBondContact O-CB 3.39Å; H27-V31 VanDerWaalsContact O-CG2 3.26Å; H27-V31 WeakPolarHBondContact O-CG2 3.44Å; H27-V31 PolarHBondContact O-N 3.13Å
32T50.2Low57.3Low64 Ų64108 Ų10839%0.39355%0.548SS..  trans-115.175.7-171.7-37.30000113.6V28V28-T32 WeakPolarHBondContact O-CA 3.32Å; V28-T32 WeakPolarHBondContact O-CB 3.34Å; V28-T32 PolarHBondContact O-N 2.86Å; V28-T32 PolarHBondContact O-OG1 2.91Å
33C43.2Very low56.6Low72 Ų72106.4 Ų106.449%0.48655%0.546SS..  trans-145.5129.9156.4-154.80000108.4R39C33-R39 VanDerWaalsContact SG-CZ 3.59Å; C33-R39 PolarHBondContact SG-NH2 2.86Å
34P44.9Very low56.1Low118 Ų118105.9 Ų105.977%0.76655%0.549SS*.SBendcis-122.711828.235.6-19.6000114.8
35C47.4Very low55.2Low68 Ų68105.7 Ų105.746%0.45955%0.548SS..  trans-142.586.5161.6-87.20000108.8Y37 L38 R39C35-Y37 PolarHBondContact O-N 3.43Å; C35-Y37 VanDerWaalsContact O-N 3.09Å; C35-L38 HydrophobicContact CB-CB 4.06Å; C35-L38 HydrophobicContact CB-CD1 3.9Å; C35-L38 HydrophobicContact CB-CG 4.24Å; C35-L38 PolarHBondContact O-N 2.89Å; C35-R39 PolarHBondContact O-N 3.45Å
36E50.7Low54.5Low138 Ų138102.9 Ų102.965%0.64554%0.543SS*.Hα-helixtrans-48.2-35.8173.6-78.1-65.1110.700112.4L38 R39 K40E36-L38 PolarHBondContact O-N 3.34Å; E36-R39 PolarHBondContact O-N 3.35Å; E36-R39 IonicContact OE1-NH1 3.55Å; E36-K40 PolarHBondContact O-N 3Å; E36-K40 VanDerWaalsContact O-N 3.1Å
37Y46.2Very low53.5Low191 Ų191102.9 Ų102.975%0.74955%0.547SS*.Hα-helixtrans-61-40.5176-160.5-94.5000113.5C35 K40 V41C35-Y37 PolarHBondContact O-N 3.43Å; C35-Y37 VanDerWaalsContact O-N 3.09Å; Y37-K40 PolarHBondContact O-N 3.39Å; Y37-V41 HydrophobicContact CD1-CG2 4.36Å; Y37-V41 HydrophobicContact CE1-CG2 4.17Å; Y37-V41 WeakPolarHBondContact O-CG2 3.48Å; Y37-V41 PolarHBondContact O-N 2.82Å
38L53.1Low53Low85 Ų85105 Ų10545%0.44556%0.557SS.*Hα-helixtrans-72.2-39.7179.6-84.9167.3000111.8C35 E36 K40 V41 I42C35-L38 HydrophobicContact CB-CB 4.06Å; C35-L38 HydrophobicContact CB-CD1 3.9Å; C35-L38 HydrophobicContact CB-CG 4.24Å; C35-L38 PolarHBondContact O-N 2.89Å; E36-L38 PolarHBondContact O-N 3.34Å; L38-K40 VanDerWaalsContact C-N 3.29Å; L38-K40 PolarHBondContact O-N 3.45Å; L38-V41 PolarHBondContact O-N 3.39Å; L38-I42 WeakPolarHBondContact O-CB 3.5Å; L38-I42 WeakPolarHBondContact O-CD1 3.23Å; L38-I42 VanDerWaalsContact O-CG1 3.25Å; L38-I42 WeakPolarHBondContact O-CG1 3.5Å; L38-I42 PolarHBondContact O-N 2.93Å
39R53.9Low52.2Low123 Ų123108.4 Ų108.446%0.46457%0.568SS.*Hα-helixtrans-58.3-43.5173.1-75.3179.9173.5168.6-6.6111.4C33 C35 E36 V41 I42 N43C33-R39 VanDerWaalsContact SG-CZ 3.59Å; C33-R39 PolarHBondContact SG-NH2 2.86Å; C35-R39 PolarHBondContact O-N 3.45Å; E36-R39 PolarHBondContact O-N 3.35Å; E36-R39 IonicContact OE1-NH1 3.55Å; R39-V41 PolarHBondContact O-N 3.08Å; R39-I42 PolarHBondContact O-N 3.31Å; R39-N43 WeakPolarHBondContact O-CB 3.32Å; R39-N43 PolarHBondContact O-N 3.44Å; R39-N43 PolarHBondContact O-OD1 3Å
40K54.9Low51.3Low162 Ų162110.3 Ų110.370%0.70458%0.579SS**Hα-helixtrans-63.7-42.4179.8-155.8165.4-171.8171.30112.3E36 Y37 L38 T44E36-K40 PolarHBondContact O-N 3Å; E36-K40 VanDerWaalsContact O-N 3.1Å; Y37-K40 PolarHBondContact O-N 3.39Å; L38-K40 VanDerWaalsContact C-N 3.29Å; L38-K40 PolarHBondContact O-N 3.45Å; K40-T44 PolarHBondContact O-N 3.29Å; K40-T44 VanDerWaalsContact O-N 3.14Å; K40-T44 PolarHBondContact O-OG1 2.91Å
41V57.3Low50.7Low71 Ų71116.4 Ų116.443%0.4359%0.587SS.*Hα-helixtrans-68-41.3176.4173.40000112.4Y37 L38 R39 T44 L45Y37-V41 HydrophobicContact CD1-CG2 4.36Å; Y37-V41 HydrophobicContact CE1-CG2 4.17Å; Y37-V41 WeakPolarHBondContact O-CG2 3.48Å; Y37-V41 PolarHBondContact O-N 2.82Å; L38-V41 PolarHBondContact O-N 3.39Å; R39-V41 PolarHBondContact O-N 3.08Å; V41-T44 WeakPolarHBondContact CA-OG1 3.36Å; V41-T44 PolarHBondContact O-OG1 3.45Å; V41-L45 WeakPolarHBondContact O-CB 3.44Å; V41-L45 PolarHBondContact O-N 3.02Å
42I60.8Low50.4Low92 Ų92115.5 Ų115.547%0.47260%0.598SS.*Hα-helixtrans-67.5-41.3178.6-68.1165.3000110.9L38 R39 L45 A46L38-I42 WeakPolarHBondContact O-CB 3.5Å; L38-I42 WeakPolarHBondContact O-CD1 3.23Å; L38-I42 VanDerWaalsContact O-CG1 3.25Å; L38-I42 WeakPolarHBondContact O-CG1 3.5Å; L38-I42 PolarHBondContact O-N 2.93Å; R39-I42 PolarHBondContact O-N 3.31Å; I42-L45 PolarHBondContact O-N 3.18Å; I42-A46 WeakPolarHBondContact O-CB 3.42Å; I42-A46 PolarHBondContact O-N 3.17Å
43N56.3Low50Low109 Ų109117.2 Ų117.258%0.58361%0.608SS**Hα-helixtrans-66.3-40.5178.3-69.4-3.2000111.8R39 L45 A46 D47R39-N43 WeakPolarHBondContact O-CB 3.32Å; R39-N43 PolarHBondContact O-N 3.44Å; R39-N43 PolarHBondContact O-OD1 3Å; N43-L45 VanDerWaalsContact C-N 3.3Å; N43-L45 PolarHBondContact O-N 3.25Å; N43-A46 PolarHBondContact O-N 3.42Å; N43-D47 PolarHBondContact O-N 3.46Å; N43-D47 VanDerWaalsContact O-N 3.13Å
44T54.5Low50.2Low85 Ų85121.9 Ų121.952%0.52163%0.628SS.*Hα-helixtrans-66.4-30.4173.447.70000113.2K40 V41K40-T44 PolarHBondContact O-N 3.29Å; K40-T44 VanDerWaalsContact O-N 3.14Å; K40-T44 PolarHBondContact O-OG1 2.91Å; V41-T44 WeakPolarHBondContact CA-OG1 3.36Å; V41-T44 PolarHBondContact O-OG1 3.45Å
45L49.6Very low49.9Very low106 Ų106124 Ų12456%0.55563%0.626SS**Hα-helixtrans-75.5-36.8176.1-172.965.1000112V41 I42 N43 H48 H49V41-L45 WeakPolarHBondContact O-CB 3.44Å; V41-L45 PolarHBondContact O-N 3.02Å; I42-L45 PolarHBondContact O-N 3.18Å; N43-L45 VanDerWaalsContact C-N 3.3Å; N43-L45 PolarHBondContact O-N 3.25Å; L45-H48 PolarHBondContact O-N 3.3Å; L45-H49 PolarHBondContact O-N 2.96Å
46A51.9Low49.9Very low47 Ų47124.3 Ų124.339%0.38864%0.64SS.*Hα-helixtrans-66.1-37.7176.200000112.4I42 N43 H48 H49I42-A46 WeakPolarHBondContact O-CB 3.42Å; I42-A46 PolarHBondContact O-N 3.17Å; N43-A46 PolarHBondContact O-N 3.42Å; A46-H48 VanDerWaalsContact C-N 3.26Å; A46-H48 PolarHBondContact O-N 3.05Å; A46-H49 PolarHBondContact O-N 2.98Å
47D48Very low49.8Very low128 Ų128121.3 Ų121.368%0.68465%0.646SS**Hα-helixtrans-63.8-32178.1-15245.4000112.2N43 H49N43-D47 PolarHBondContact O-N 3.46Å; N43-D47 VanDerWaalsContact O-N 3.13Å; D47-H49 VanDerWaalsContact C-N 3.35Å
48H49.1Very low49.7Very low156 Ų156114.2 Ų114.272%0.72263%0.625SS**Hα-helixtrans-75.7-17.1172.1-75.810.3000114.3L45 A46L45-H48 PolarHBondContact O-N 3.3Å; A46-H48 VanDerWaalsContact C-N 3.26Å; A46-H48 PolarHBondContact O-N 3.05Å
49H48.5Very low49.7Very low142 Ų142114.7 Ų114.766%0.65763%0.633SS**Hα-helixtrans-87.1-12179.1-97.8-81.4000114.2L45 A46 D47L45-H49 PolarHBondContact O-N 2.96Å; A46-H49 PolarHBondContact O-N 2.98Å; D47-H49 VanDerWaalsContact C-N 3.35Å
50H45.3Very low49.5Very low170 Ų170117.9 Ų117.979%0.78765%0.645SS**SBendtrans-89-11.1-177.3-92.8-66.4000115.5G52H50-G52 PolarHBondContact O-N 3.2Å
51R44.8Very low49.6Very low220 Ų220114.7 Ų114.783%0.8364%0.635SS**SBendtrans-87.691.5167.1-91.8-174.8140.1-153.6-6.1110T53R51-T53 PolarHBondContact O-N 3.43Å; R51-T53 PolarHBondContact O-OG1 3Å; R51-T53 VanDerWaalsContact O-OG1 3.08Å
52G48.5Very low49.5Very low78 Ų78118.5 Ų118.580%0.80465%0.648SS**  trans-49.1105.6175.400000111.6H50H50-G52 PolarHBondContact O-N 3.2Å
53T40.2Very low49.3Very low101 Ų101117.9 Ų117.962%0.6265%0.648SS**  trans-144.5123.2171.634.90000107.3R51 F55R51-T53 PolarHBondContact O-N 3.43Å; R51-T53 PolarHBondContact O-OG1 3Å; R51-T53 VanDerWaalsContact O-OG1 3.08Å; T53-F55 VanDerWaalsContact C-N 3.27Å; T53-F55 PolarHBondContact O-N 2.7Å
54D47.3Very low49.4Very low170 Ų170117.5 Ų117.591%0.90965%0.645SS**  trans-72.575.2-172.5-58.7-73000112.3G56D54-G56 VanDerWaalsContact C-N 3.3Å; D54-G56 PolarHBondContact O-N 2.9Å
55F39.4Very low49.6Very low163 Ų163119.6 Ų119.672%0.71565%0.652SS**  trans-90.466.3170.6-92.9-78.9000112T53 G57T53-F55 VanDerWaalsContact C-N 3.27Å; T53-F55 PolarHBondContact O-N 2.7Å; F55-G57 PolarHBondContact O-N 3.14Å
56G47Very low49.6Very low73 Ų73117.4 Ų117.475%0.75365%0.649SS**THydrogen-bonded Turntrans-56.4129.4159.800000110.6D54 S58D54-G56 VanDerWaalsContact C-N 3.3Å; D54-G56 PolarHBondContact O-N 2.9Å; G56-S58 PolarHBondContact O-N 3.48Å
57G48.7Very low49.5Very low75 Ų75120.2 Ų120.277%0.77365%0.652SS**THydrogen-bonded Turntrans75.919.4163.500000118F55 P59F55-G57 PolarHBondContact O-N 3.14Å; G57-P59 VanDerWaalsContact O-CD 3.23Å; G57-P59 WeakPolarHBondContact O-CD 3.46Å
58S45.4Very low49.9Very low43 Ų43118.1 Ų118.130%0.30165%0.646SS.*  trans-63.3117.2176-170.60000111.8G56 W60 L61G56-S58 PolarHBondContact O-N 3.48Å; S58-W60 PolarHBondContact O-N 3.02Å; S58-L61 PolarHBondContact O-N 3.27Å
59P52.1Low50.1Low94 Ų94115.9 Ų115.961%0.6164%0.643SS**Hα-helixtrans-60.5-19.4-173.1-26.336000114.5G57 L61 H62 V63G57-P59 VanDerWaalsContact O-CD 3.23Å; G57-P59 WeakPolarHBondContact O-CD 3.46Å; P59-L61 VanDerWaalsContact C-N 3.32Å; P59-L61 PolarHBondContact O-N 3.39Å; P59-H62 PolarHBondContact O-N 2.99Å; P59-V63 PolarHBondContact O-N 3.22Å; P59-V63 VanDerWaalsContact O-N 3.14Å
60W49.9Very low50.8Low191 Ų191110.7 Ų110.772%0.72362%0.623SS**Hα-helixtrans-60.4-34.5177.6-93.772.9000114.1S58 V63 I64S58-W60 PolarHBondContact O-N 3.02Å; W60-V63 WeakPolarHBondContact O-CB 3.45Å; W60-V63 PolarHBondContact O-N 3.38Å; W60-I64 WeakPolarHBondContact O-CG1 3.49Å; W60-I64 PolarHBondContact O-N 3.41Å
61L56.5Low51.9Low95 Ų95108.2 Ų108.250%0.49761%0.607SS.*Hα-helixtrans-68.5-36.6178.1-73.1170.2000111.7S58 P59 I64 I65S58-L61 PolarHBondContact O-N 3.27Å; P59-L61 VanDerWaalsContact C-N 3.32Å; P59-L61 PolarHBondContact O-N 3.39Å; L61-I64 PolarHBondContact O-N 3.36Å; L61-I65 WeakPolarHBondContact O-CG1 3.33Å; L61-I65 PolarHBondContact O-N 3.13Å
62H55.3Low53.3Low151 Ų151104 Ų10470%0.69960%0.595SS**Hα-helixtrans-65.7-38171-86.6-77.9000112.3P59 I65 A66P59-H62 PolarHBondContact O-N 2.99Å; H62-I65 PolarHBondContact O-N 2.89Å; H62-A66 WeakPolarHBondContact O-CB 3.43Å; H62-A66 PolarHBondContact O-N 3.39Å
63V56.8Low54.5Low78 Ų78104.5 Ų104.547%0.47358%0.582SS.*Hα-helixtrans-61.4-44.1174.6173.40000111P59 W60 F67P59-V63 PolarHBondContact O-N 3.22Å; P59-V63 VanDerWaalsContact O-N 3.14Å; W60-V63 WeakPolarHBondContact O-CB 3.45Å; W60-V63 PolarHBondContact O-N 3.38Å; V63-F67 HydrophobicContact CG1-CD2 4.15Å; V63-F67 HydrophobicContact CG1-CE2 4.41Å; V63-F67 WeakPolarHBondContact O-CB 3.49Å; V63-F67 WeakPolarHBondContact O-CD2 3.35Å; V63-F67 PolarHBondContact O-N 2.92Å; V63-F67 VanDerWaalsContact O-N 3.08Å
64I59.3Low56.4Low102 Ų102103.3 Ų103.352%0.52358%0.575SS.*Hα-helixtrans-66.6-43.6179.9-66.5163000111.4W60 L61 F67W60-I64 WeakPolarHBondContact O-CG1 3.49Å; W60-I64 PolarHBondContact O-N 3.41Å; L61-I64 PolarHBondContact O-N 3.36Å; I64-F67 PolarHBondContact O-N 3.16Å
65I57.7Low58Low129 Ų12999.1 Ų99.166%0.66255%0.552SS**Hα-helixtrans-76.5-24.9-178.5-63.4170000112.5L61 H62 P68L61-I65 WeakPolarHBondContact O-CG1 3.33Å; L61-I65 PolarHBondContact O-N 3.13Å; H62-I65 PolarHBondContact O-N 2.89Å; I65-P68 WeakPolarHBondContact O-CD 3.5Å; I65-P68 WeakPolarHBondContact O-CG 3.45Å
66A50Low59.9Low59 Ų5995.3 Ų95.349%0.48854%0.541SS..Hα-helixtrans-83.2-18.6172.500000113.8H62 T69H62-A66 WeakPolarHBondContact O-CB 3.43Å; H62-A66 PolarHBondContact O-N 3.39Å; A66-T69 PolarHBondContact O-N 3.42Å; A66-T69 PolarHBondContact O-OG1 3.29Å
67F49.8Very low61.6Low106 Ų10697.2 Ų97.247%0.46553%0.534SS..Hα-helixtrans-65.7-16.1-179.5-121.3-107.1000118.9V63 I64 T69 S70 Y71 V74V63-F67 HydrophobicContact CG1-CD2 4.15Å; V63-F67 HydrophobicContact CG1-CE2 4.41Å; V63-F67 WeakPolarHBondContact O-CB 3.49Å; V63-F67 WeakPolarHBondContact O-CD2 3.35Å; V63-F67 PolarHBondContact O-N 2.92Å; V63-F67 VanDerWaalsContact O-N 3.08Å; I64-F67 PolarHBondContact O-N 3.16Å; F67-T69 PolarHBondContact O-N 3.33Å; F67-T69 VanDerWaalsContact O-N 3.11Å; F67-S70 VanDerWaalsContact CD1-CB 3.5Å; F67-S70 WeakPolarHBondContact CD2-OG 3.17Å; F67-S70 WeakPolarHBondContact O-CA 3.13Å; F67-S70 VanDerWaalsContact O-CB 3.3Å; F67-S70 WeakPolarHBondContact O-CB 3.49Å; F67-S70 PolarHBondContact O-N 3.24Å; F67-Y71 PolarHBondContact O-N 3.3Å; F67-Y71 VanDerWaalsContact O-N 3.11Å; F67-V74 HydrophobicContact CE1-CG2 4.11Å
68P56.7Low63.5Low84 Ų84101.7 Ų101.755%0.54553%0.528SS..Hα-helixtrans-69.5-1.217127.2-32.6000113.6I65 Y71I65-P68 WeakPolarHBondContact O-CD 3.5Å; I65-P68 WeakPolarHBondContact O-CG 3.45Å; P68-Y71 WeakPolarHBondContact O-CD1 3.44Å; P68-Y71 WeakPolarHBondContact O-CE1 3.35Å
69T53.8Low65.5Low110 Ų110103.1 Ų103.168%0.67553%0.531SS*.Hα-helixtrans-87.4-35.1161.5-37.70000111.2A66 F67A66-T69 PolarHBondContact O-N 3.42Å; A66-T69 PolarHBondContact O-OG1 3.29Å; F67-T69 PolarHBondContact O-N 3.33Å; F67-T69 VanDerWaalsContact O-N 3.11Å
70S61.5Low67.4Low32 Ų32102.5 Ų102.522%0.22453%0.526CS..Hα-helixtrans-72.2-24.3-178.2-47.70000114.3F67 K72 V73 V74F67-S70 VanDerWaalsContact CD1-CB 3.5Å; F67-S70 WeakPolarHBondContact CD2-OG 3.17Å; F67-S70 WeakPolarHBondContact O-CA 3.13Å; F67-S70 VanDerWaalsContact O-CB 3.3Å; F67-S70 WeakPolarHBondContact O-CB 3.49Å; F67-S70 PolarHBondContact O-N 3.24Å; S70-K72 PolarHBondContact O-N 2.8Å; S70-K72 VanDerWaalsContact O-N 3.1Å; S70-V73 WeakPolarHBondContact O-CA 3.19Å; S70-V73 WeakPolarHBondContact O-CB 3.36Å; S70-V73 PolarHBondContact O-N 3.43Å; S70-V74 PolarHBondContact O-N 2.85Å
71Y70Confident69.3Low118 Ų118101.1 Ų101.146%0.46352%0.521SS..Hα-helixtrans-56.8-31.6179.285.1-103.7000112.1F67 P68 V73 V74 I75F67-Y71 PolarHBondContact O-N 3.3Å; F67-Y71 VanDerWaalsContact O-N 3.11Å; P68-Y71 WeakPolarHBondContact O-CD1 3.44Å; P68-Y71 WeakPolarHBondContact O-CE1 3.35Å; Y71-V73 VanDerWaalsContact C-N 3.34Å; Y71-V74 PolarHBondContact O-N 3.49Å; Y71-I75 HydrophobicContact CD2-CD1 3.7Å; Y71-I75 HydrophobicContact CD2-CG1 4.46Å; Y71-I75 HydrophobicContact CE2-CD1 4.18Å; Y71-I75 WeakPolarHBondContact O-CB 3.43Å; Y71-I75 VanDerWaalsContact O-CG1 3.28Å; Y71-I75 WeakPolarHBondContact O-CG1 3.39Å; Y71-I75 PolarHBondContact O-N 3.12Å
72K72.8Confident71Confident132 Ų132101.3 Ų101.357%0.57452%0.522SS*.Hα-helixtrans-66.4-37.1175-70.5-178.6179.3168.50112.2S70 T76S70-K72 PolarHBondContact O-N 2.8Å; S70-K72 VanDerWaalsContact O-N 3.1Å; K72-T76 VanDerWaalsContact O-CB 3.27Å; K72-T76 WeakPolarHBondContact O-CB 3.35Å; K72-T76 PolarHBondContact O-N 2.99Å; K72-T76 PolarHBondContact O-OG1 3.08Å
73V73.4Confident72.6Confident88 Ų88102.4 Ų102.453%0.53352%0.52SS..Hα-helixtrans-68-46.1174-1750000109.7S70 Y71 I75 T76 L77S70-V73 WeakPolarHBondContact O-CA 3.19Å; S70-V73 WeakPolarHBondContact O-CB 3.36Å; S70-V73 PolarHBondContact O-N 3.43Å; Y71-V73 VanDerWaalsContact C-N 3.34Å; V73-I75 PolarHBondContact O-N 3.24Å; V73-T76 PolarHBondContact O-N 2.9Å; V73-L77 HydrophobicContact CG1-CD1 4Å; V73-L77 HydrophobicContact CG1-CG 4.4Å; V73-L77 WeakPolarHBondContact O-CB 3.18Å; V73-L77 WeakPolarHBondContact O-CG 3.3Å; V73-L77 PolarHBondContact O-N 3.29Å
74V81.1Confident74Confident77 Ų77102.7 Ų102.747%0.46752%0.522SS..Hα-helixtrans-60.7-46.2176.3177.60000111.6F67 S70 Y71 T76 L77 W78F67-V74 HydrophobicContact CE1-CG2 4.11Å; S70-V74 PolarHBondContact O-N 2.85Å; Y71-V74 PolarHBondContact O-N 3.49Å; V74-T76 VanDerWaalsContact C-N 3.34Å; V74-T76 PolarHBondContact O-N 3.33Å; V74-L77 PolarHBondContact O-N 3.27Å; V74-W78 VanDerWaalsContact O-CB 3.31Å; V74-W78 WeakPolarHBondContact O-CB 3.33Å; V74-W78 PolarHBondContact O-N 3.39Å
75I81.8Confident75.1Confident82 Ų8299.8 Ų99.842%0.42151%0.511SS..Hα-helixtrans-62.5-41.5175.1-72.5178.4000110.8Y71 V73 W78 I79Y71-I75 HydrophobicContact CD2-CD1 3.7Å; Y71-I75 HydrophobicContact CD2-CG1 4.46Å; Y71-I75 HydrophobicContact CE2-CD1 4.18Å; Y71-I75 WeakPolarHBondContact O-CB 3.43Å; Y71-I75 VanDerWaalsContact O-CG1 3.28Å; Y71-I75 WeakPolarHBondContact O-CG1 3.39Å; Y71-I75 PolarHBondContact O-N 3.12Å; V73-I75 PolarHBondContact O-N 3.24Å; I75-W78 PolarHBondContact O-N 2.92Å; I75-I79 HydrophobicContact CG2-CD1 3.6Å; I75-I79 HydrophobicContact CG2-CG1 4.27Å; I75-I79 WeakPolarHBondContact O-CB 3.4Å; I75-I79 WeakPolarHBondContact O-CG1 3.48Å; I75-I79 PolarHBondContact O-N 3.49Å
76T79.4Confident76.3Confident82 Ų8297.6 Ų97.650%0.50350%0.5SS..Hα-helixtrans-66.2-42.5178.5-61.70000111.3K72 V73 V74 I79 V80K72-T76 VanDerWaalsContact O-CB 3.27Å; K72-T76 WeakPolarHBondContact O-CB 3.35Å; K72-T76 PolarHBondContact O-N 2.99Å; K72-T76 PolarHBondContact O-OG1 3.08Å; V73-T76 PolarHBondContact O-N 2.9Å; V74-T76 VanDerWaalsContact C-N 3.34Å; V74-T76 PolarHBondContact O-N 3.33Å; T76-I79 PolarHBondContact O-N 3.41Å; T76-V80 WeakPolarHBondContact O-CB 3.18Å; T76-V80 VanDerWaalsContact O-CG2 3.26Å; T76-V80 WeakPolarHBondContact O-CG2 3.39Å; T76-V80 PolarHBondContact O-N 3.02Å
77L82.8Confident77.8Confident114 Ų11499.8 Ų99.860%0.59750%0.503SS*.Hα-helixtrans-63.5-42174-72.1170.8000111.7V73 V74 V80 Y81V73-L77 HydrophobicContact CG1-CD1 4Å; V73-L77 HydrophobicContact CG1-CG 4.4Å; V73-L77 WeakPolarHBondContact O-CB 3.18Å; V73-L77 WeakPolarHBondContact O-CG 3.3Å; V73-L77 PolarHBondContact O-N 3.29Å; V74-L77 PolarHBondContact O-N 3.27Å; L77-V80 PolarHBondContact O-N 3.41Å; L77-Y81 VanDerWaalsContact O-CB 3.24Å; L77-Y81 WeakPolarHBondContact O-CB 3.43Å; L77-Y81 PolarHBondContact O-N 3.14Å
78W88.3Confident79.1Confident168 Ų168102.2 Ų102.264%0.63651%0.513SS*.Hα-helixtrans-65.5-41.4176.5-172.770.2000112.2V74 I75 Y81 L82V74-W78 VanDerWaalsContact O-CB 3.31Å; V74-W78 WeakPolarHBondContact O-CB 3.33Å; V74-W78 PolarHBondContact O-N 3.39Å; I75-W78 PolarHBondContact O-N 2.92Å; W78-Y81 PolarHBondContact O-N 3.44Å; W78-L82 VanDerWaalsContact O-CB 3.31Å; W78-L82 WeakPolarHBondContact O-CB 3.39Å; W78-L82 PolarHBondContact O-N 2.91Å
79I87.5Confident79.7Confident74 Ų74102.2 Ų102.238%0.37951%0.512SS..Hα-helixtrans-61.7-49.2172.5-73.1169.1000110.3I75 T76 Y81 L82 W83I75-I79 HydrophobicContact CG2-CD1 3.6Å; I75-I79 HydrophobicContact CG2-CG1 4.27Å; I75-I79 WeakPolarHBondContact O-CB 3.4Å; I75-I79 WeakPolarHBondContact O-CG1 3.48Å; I75-I79 PolarHBondContact O-N 3.49Å; T76-I79 PolarHBondContact O-N 3.41Å; I79-Y81 VanDerWaalsContact C-N 3.34Å; I79-Y81 PolarHBondContact O-N 3.23Å; I79-L82 PolarHBondContact O-N 3.42Å; I79-W83 PolarHBondContact O-N 3.26Å
80V92.1Very high80.5Confident81 Ų8199.5 Ų99.549%0.49149%0.493SS..Hα-helixtrans-60.6-43.3177.8168.80000111T76 L77 L82 W83 V84T76-V80 WeakPolarHBondContact O-CB 3.18Å; T76-V80 VanDerWaalsContact O-CG2 3.26Å; T76-V80 WeakPolarHBondContact O-CG2 3.39Å; T76-V80 PolarHBondContact O-N 3.02Å; L77-V80 PolarHBondContact O-N 3.41Å; V80-L82 PolarHBondContact O-N 2.85Å; V80-W83 PolarHBondContact O-N 2.89Å; V80-V84 HydrophobicContact CG1-CG2 4.38Å; V80-V84 WeakPolarHBondContact O-CB 3.26Å; V80-V84 WeakPolarHBondContact O-CG2 3.4Å; V80-V84 PolarHBondContact O-N 2.96Å
81Y89.8Confident80.4Confident162 Ų162102.7 Ų102.764%0.63550%0.503SS*.Hα-helixtrans-62.2-42.1176-178.4-97.8000112.3L77 W78 I79 V84 S85L77-Y81 VanDerWaalsContact O-CB 3.24Å; L77-Y81 WeakPolarHBondContact O-CB 3.43Å; L77-Y81 PolarHBondContact O-N 3.14Å; W78-Y81 PolarHBondContact O-N 3.44Å; I79-Y81 VanDerWaalsContact C-N 3.34Å; I79-Y81 PolarHBondContact O-N 3.23Å; Y81-V84 PolarHBondContact O-N 3.14Å; Y81-S85 VanDerWaalsContact O-CB 3.28Å; Y81-S85 WeakPolarHBondContact O-CB 3.5Å; Y81-S85 PolarHBondContact O-N 3.05Å; Y81-S85 PolarHBondContact O-OG 3.24Å
82L92.1Very high79.5Confident98 Ų98107.3 Ų107.351%0.51352%0.519SS..Hα-helixtrans-64.7-41.4175.2-173.964.9000111.5W78 I79 V80 S85 L86W78-L82 VanDerWaalsContact O-CB 3.31Å; W78-L82 WeakPolarHBondContact O-CB 3.39Å; W78-L82 PolarHBondContact O-N 2.91Å; I79-L82 PolarHBondContact O-N 3.42Å; V80-L82 PolarHBondContact O-N 2.85Å; L82-S85 PolarHBondContact O-N 3.28Å; L82-L86 VanDerWaalsContact O-CB 3.27Å; L82-L86 WeakPolarHBondContact O-CB 3.25Å; L82-L86 PolarHBondContact O-N 3.44Å
83W87.6Confident78.5Confident174 Ų174104.8 Ų104.866%0.65952%0.518SS*.Hα-helixtrans-65.2-42.4174.1-82.9107.6000112.7I79 V80 L86 L87I79-W83 PolarHBondContact O-N 3.26Å; V80-W83 PolarHBondContact O-N 2.89Å; W83-L86 HydrophobicContact CE3-CD2 4.32Å; W83-L86 HydrophobicContact CZ3-CD2 4.33Å; W83-L86 PolarHBondContact O-N 3.09Å; W83-L87 VanDerWaalsContact O-CB 3.24Å; W83-L87 WeakPolarHBondContact O-CB 3.27Å; W83-L87 PolarHBondContact O-N 3.28Å
84V85.6Confident77.3Confident84 Ų84106.8 Ų106.851%0.50952%0.517SS..Hα-helixtrans-65.8-40.4176.2170.20000110.7V80 Y81 L87 K88V80-V84 HydrophobicContact CG1-CG2 4.38Å; V80-V84 WeakPolarHBondContact O-CB 3.26Å; V80-V84 WeakPolarHBondContact O-CG2 3.4Å; V80-V84 PolarHBondContact O-N 2.96Å; Y81-V84 PolarHBondContact O-N 3.14Å; V84-L87 PolarHBondContact O-N 2.93Å; V84-K88 VanDerWaalsContact O-CB 3.29Å; V84-K88 WeakPolarHBondContact O-CB 3.36Å; V84-K88 PolarHBondContact O-N 3.2Å
85S83.4Confident75.6Confident41 Ų41108.9 Ų108.929%0.28753%0.525SS..Hα-helixtrans-64.3-44.5175.8-60.20000111.8Y81 L82 K88 T89Y81-S85 VanDerWaalsContact O-CB 3.28Å; Y81-S85 WeakPolarHBondContact O-CB 3.5Å; Y81-S85 PolarHBondContact O-N 3.05Å; Y81-S85 PolarHBondContact O-OG 3.24Å; L82-S85 PolarHBondContact O-N 3.28Å; S85-K88 PolarHBondContact O-N 3.47Å; S85-T89 PolarHBondContact O-N 2.97Å; S85-T89 PolarHBondContact O-OG1 2.95Å
86L81.8Confident74Confident83 Ų83107.6 Ų107.644%0.43553%0.532SS..Hα-helixtrans-64-39.9173.7-177.665000111.9L82 W83 K88 T89 I90L82-L86 VanDerWaalsContact O-CB 3.27Å; L82-L86 WeakPolarHBondContact O-CB 3.25Å; L82-L86 PolarHBondContact O-N 3.44Å; W83-L86 HydrophobicContact CE3-CD2 4.32Å; W83-L86 HydrophobicContact CZ3-CD2 4.33Å; W83-L86 PolarHBondContact O-N 3.09Å; L86-K88 VanDerWaalsContact C-N 3.34Å; L86-T89 PolarHBondContact O-OG1 2.78Å; L86-I90 HydrophobicContact CD1-CD1 4.08Å; L86-I90 HydrophobicContact CG-CD1 3.88Å; L86-I90 WeakPolarHBondContact O-CB 3.15Å; L86-I90 WeakPolarHBondContact O-CD1 3.42Å; L86-I90 WeakPolarHBondContact O-CG1 3.31Å; L86-I90 PolarHBondContact O-N 3.47Å
87L82.7Confident72.6Confident105 Ų105109.5 Ų109.555%0.5554%0.535SS..Hα-helixtrans-67.4-38.1177.1-164.169000110.9W83 V84 I90 F91W83-L87 VanDerWaalsContact O-CB 3.24Å; W83-L87 WeakPolarHBondContact O-CB 3.27Å; W83-L87 PolarHBondContact O-N 3.28Å; V84-L87 PolarHBondContact O-N 2.93Å; L87-I90 PolarHBondContact O-N 2.82Å; L87-F91 WeakPolarHBondContact O-CB 3.47Å; L87-F91 PolarHBondContact O-N 3.35Å
88K76.6Confident70.9Confident157 Ų157110.5 Ų110.568%0.68354%0.541SS*.Hα-helixtrans-66.7-42.3176.7-167173.1175.974.70111.6V84 S85 L86 F91 W92V84-K88 VanDerWaalsContact O-CB 3.29Å; V84-K88 WeakPolarHBondContact O-CB 3.36Å; V84-K88 PolarHBondContact O-N 3.2Å; S85-K88 PolarHBondContact O-N 3.47Å; L86-K88 VanDerWaalsContact C-N 3.34Å; K88-F91 PolarHBondContact O-N 2.94Å; K88-W92 VanDerWaalsContact O-CB 3.3Å; K88-W92 WeakPolarHBondContact O-CB 3.43Å; K88-W92 PolarHBondContact O-N 2.86Å
89T70.6Confident69Low84 Ų84105.8 Ų105.852%0.51555%0.545SS..Hα-helixtrans-65.9-40.4173.954.60000112.3S85 L86 W92 S93S85-T89 PolarHBondContact O-N 2.97Å; S85-T89 PolarHBondContact O-OG1 2.95Å; L86-T89 PolarHBondContact O-OG1 2.78Å; T89-W92 PolarHBondContact O-N 2.88Å; T89-S93 WeakPolarHBondContact O-CB 3.42Å; T89-S93 PolarHBondContact O-N 3.31Å
90I69.7Low67.2Low53 Ų53105.9 Ų105.927%0.27255%0.552SS.*Hα-helixtrans-66.1-37.6175.6-69167.3000112.4L86 L87 S93 R94L86-I90 HydrophobicContact CD1-CD1 4.08Å; L86-I90 HydrophobicContact CG-CD1 3.88Å; L86-I90 WeakPolarHBondContact O-CB 3.15Å; L86-I90 WeakPolarHBondContact O-CD1 3.42Å; L86-I90 WeakPolarHBondContact O-CG1 3.31Å; L86-I90 PolarHBondContact O-N 3.47Å; L87-I90 PolarHBondContact O-N 2.82Å; I90-S93 PolarHBondContact O-OG 3.15Å; I90-R94 PolarHBondContact O-N 3.11Å
91F59.4Low65.3Low100 Ų100105.8 Ų105.844%0.43955%0.552SS.*Hα-helixtrans-74.8-37.7177.6-118.6-83.2000112.2L87 K88 S93 R94 N95L87-F91 WeakPolarHBondContact O-CB 3.47Å; L87-F91 PolarHBondContact O-N 3.35Å; K88-F91 PolarHBondContact O-N 2.94Å; F91-S93 VanDerWaalsContact C-N 3.34Å; F91-R94 PolarHBondContact O-N 3.43Å; F91-R94 VanDerWaalsContact O-N 3.08Å; F91-N95 PolarHBondContact O-N 2.86Å
92W51.3Low63.5Low214 Ų214102.1 Ų102.181%0.81154%0.543SS*.Hα-helixtrans-67.4-36.5177.2-150.328.1000111.4K88 T89 R94 G96K88-W92 VanDerWaalsContact O-CB 3.3Å; K88-W92 WeakPolarHBondContact O-CB 3.43Å; K88-W92 PolarHBondContact O-N 2.86Å; T89-W92 PolarHBondContact O-N 2.88Å; W92-R94 PolarHBondContact O-N 3.11Å; W92-G96 PolarHBondContact O-N 3.1Å
93S51.9Low61.6Low79 Ų79102.5 Ų102.555%0.55255%0.549SS*.Hα-helixtrans-69.4-9.2172.293.70000114.4T89 I90 F91T89-S93 WeakPolarHBondContact O-CB 3.42Å; T89-S93 PolarHBondContact O-N 3.31Å; I90-S93 PolarHBondContact O-OG 3.15Å; F91-S93 VanDerWaalsContact C-N 3.34Å
94R46.9Very low59.8Low131 Ų131100.9 Ų100.949%0.49455%0.549SS..Hα-helixtrans-103.2-42.3176.1-175.814659.5-170.1-0.3112.1I90 F91 W92 G96I90-R94 PolarHBondContact O-N 3.11Å; F91-R94 PolarHBondContact O-N 3.43Å; F91-R94 VanDerWaalsContact O-N 3.08Å; W92-R94 PolarHBondContact O-N 3.11Å; R94-G96 VanDerWaalsContact C-N 3.28Å; R94-G96 PolarHBondContact O-N 3.46Å
95N46.5Very low58.2Low121 Ų121102.5 Ų102.565%0.64755%0.551SS**Hα-helixtrans-77-12.5-179.3-69.618.8000113.6F91F91-N95 PolarHBondContact O-N 2.86Å
96G48.1Very low56.6Low55 Ų55109 Ų10957%0.56757%0.569SS**THydrogen-bonded Turntrans-92.1-6.8-178.600000116.9W92 R94W92-G96 PolarHBondContact O-N 3.1Å; R94-G96 VanDerWaalsContact C-N 3.28Å; R94-G96 PolarHBondContact O-N 3.46Å
97H50Low55.1Low122 Ų122108 Ų10857%0.56557%0.573SS**SBendtrans-117.5-11.3-166.8-91.5-51.5000117.2G99 T101H97-G99 VanDerWaalsContact C-N 3.34Å; H97-G99 PolarHBondContact O-N 2.92Å; H97-T101 PolarHBondContact O-OG1 3.42Å
98D46.4Very low53.4Low135 Ų135110.8 Ų110.872%0.72258%0.576SS**THydrogen-bonded Turntrans-81.6-9.1-172.8-67.4-16.1000114
99G48.6Very low52.1Low69 Ų69112 Ų11271%0.71158%0.576SS**THydrogen-bonded Turntrans-95.5-22.6177.400000116.3H97H97-G99 VanDerWaalsContact C-N 3.34Å; H97-G99 PolarHBondContact O-N 2.92Å
100S49.4Very low50.9Low76 Ų76112.1 Ų112.153%0.53158%0.581SS.*THydrogen-bonded Turntrans-99.4-20.5-169.8-173.10000114.1
101T52.6Low50Low79 Ų79114.2 Ų114.249%0.48559%0.592SS.*Hα-helixtrans-77.1-33-174.546.30000113.4H97 Q105H97-T101 PolarHBondContact O-OG1 3.42Å; T101-Q105 WeakPolarHBondContact O-CB 3.44Å; T101-Q105 PolarHBondContact O-N 3.45Å
102D52.2Low49.4Very low84 Ų84117.1 Ų117.145%0.44960%0.601SS.*Hα-helixtrans-67.6-43.2180-163.6-98000112.4Q105 R106D102-Q105 PolarHBondContact O-N 3.4Å; D102-R106 WeakPolarHBondContact O-CB 3.46Å; D102-R106 PolarHBondContact O-N 3.34Å; D102-R106 IonicContact OD1-CZ 2.72Å; D102-R106 IonicContact OD1-NE 3.51Å; D102-R106 PolarHBondContact OD1-NE 2.89Å; D102-R106 IonicContact OD1-NH2 3.18Å; D102-R106 PolarHBondContact OD1-NH2 3.41Å
103V52.9Low49.4Very low106 Ų106117.5 Ų117.564%0.64260%0.602SS**Hα-helixtrans-64.3-44.5178.5-175.10000111.2R106 A107V103-R106 PolarHBondContact O-N 3.17Å; V103-A107 WeakPolarHBondContact O-CB 3.32Å; V103-A107 PolarHBondContact O-N 3.5Å
104Q50.1Low49.2Very low141 Ų141123.4 Ų123.466%0.65961%0.612SS**Hα-helixtrans-61.3-45.1174.2-78.4-86.4-47.100111.5A107 W108Q104-A107 PolarHBondContact O-N 2.86Å; Q104-W108 WeakPolarHBondContact O-CB 3.43Å; Q104-W108 PolarHBondContact O-N 3.46Å
105Q50.5Low49Very low118 Ų118123.8 Ų123.855%0.55162%0.619SS**Hα-helixtrans-71.5-31.4-177.8-167.5160.6-67.500112.9T101 D102 R109T101-Q105 WeakPolarHBondContact O-CB 3.44Å; T101-Q105 PolarHBondContact O-N 3.45Å; D102-Q105 PolarHBondContact O-N 3.4Å; Q105-R109 WeakPolarHBondContact O-CG 3.41Å; Q105-R109 PolarHBondContact O-N 2.86Å; Q105-R109 VanDerWaalsContact O-N 3.09Å
106R51.6Low49.1Very low178 Ų178125.6 Ų125.667%0.67262%0.624SS**Hα-helixtrans-69.9-43.6173.1-162.3178.8-60.7-150.72111.5D102 V103 S110D102-R106 WeakPolarHBondContact O-CB 3.46Å; D102-R106 PolarHBondContact O-N 3.34Å; D102-R106 IonicContact OD1-CZ 2.72Å; D102-R106 IonicContact OD1-NE 3.51Å; D102-R106 PolarHBondContact OD1-NE 2.89Å; D102-R106 IonicContact OD1-NH2 3.18Å; D102-R106 PolarHBondContact OD1-NH2 3.41Å; V103-R106 PolarHBondContact O-N 3.17Å; R106-S110 PolarHBondContact O-N 3.21Å
107A49.1Very low49.2Very low62 Ų62126.2 Ų126.251%0.51263%0.63SS.*Hα-helixtrans-62.9-42.3172.700000112.3V103 Q104 R109 S110 N111V103-A107 WeakPolarHBondContact O-CB 3.32Å; V103-A107 PolarHBondContact O-N 3.5Å; Q104-A107 PolarHBondContact O-N 2.86Å; A107-R109 PolarHBondContact O-N 2.94Å; A107-S110 PolarHBondContact O-N 3.44Å; A107-N111 PolarHBondContact O-N 2.91Å; A107-N111 VanDerWaalsContact O-N 3.12Å
108W46.3Very low48.9Very low163 Ų163127.3 Ų127.362%0.61764%0.639SS**Hα-helixtrans-67-37.5-179-153.486000112.9Q104 S110 N111 R112Q104-W108 WeakPolarHBondContact O-CB 3.43Å; Q104-W108 PolarHBondContact O-N 3.46Å; W108-S110 VanDerWaalsContact C-N 3.34Å; W108-N111 PolarHBondContact O-N 3.28Å; W108-R112 PolarHBondContact O-N 3.41Å
109R49.9Very low49Very low182 Ų182132.2 Ų132.269%0.68765%0.648SS**Hα-helixtrans-66.2-32.6173.5-79.4-176.1177.5173.80.3113.4Q105 A107Q105-R109 WeakPolarHBondContact O-CG 3.41Å; Q105-R109 PolarHBondContact O-N 2.86Å; Q105-R109 VanDerWaalsContact O-N 3.09Å; A107-R109 PolarHBondContact O-N 2.94Å
110S46.6Very low49.1Very low87 Ų87133.4 Ų133.461%0.60865%0.645SS**Hα-helixtrans-71.1-42.1176.3-1680000111.8R106 A107 W108 R112 R113R106-S110 PolarHBondContact O-N 3.21Å; A107-S110 PolarHBondContact O-N 3.44Å; W108-S110 VanDerWaalsContact C-N 3.34Å; S110-R112 VanDerWaalsContact C-N 3.34Å; S110-R112 PolarHBondContact O-N 3.31Å; S110-R113 PolarHBondContact O-N 2.96Å
111N49.9Very low48.9Very low97 Ų97137.7 Ų137.752%0.51966%0.66SS.*Hα-helixtrans-71.8-27-177.4-146.1-14000113.2A107 W108 R113 R114 Q115A107-N111 PolarHBondContact O-N 2.91Å; A107-N111 VanDerWaalsContact O-N 3.12Å; W108-N111 PolarHBondContact O-N 3.28Å; N111-R113 VanDerWaalsContact C-N 3.26Å; N111-R113 PolarHBondContact O-N 3.01Å; N111-R114 PolarHBondContact O-N 3.41Å; N111-Q115 PolarHBondContact O-N 2.94Å
112R46.8Very low48.2Very low161 Ų161138.7 Ų138.761%0.60867%0.669SS**Hα-helixtrans-60.6-32.9177.7-159.3174.6-138-172.43.8113.3W108 S110 R114W108-R112 PolarHBondContact O-N 3.41Å; S110-R112 VanDerWaalsContact C-N 3.34Å; S110-R112 PolarHBondContact O-N 3.31Å; R112-R114 VanDerWaalsContact C-N 3.32Å; R112-R114 PolarHBondContact O-N 2.96Å
113R51.3Low47.9Very low221 Ų221143.3 Ų143.383%0.83469%0.69SS**THydrogen-bonded Turntrans-77-11.4175.8-65.4-167.7-174.4-137.95.4114.3S110 N111S110-R113 PolarHBondContact O-N 2.96Å; N111-R113 VanDerWaalsContact C-N 3.26Å; N111-R113 PolarHBondContact O-N 3.01Å
114R48.6Very low47Very low203 Ų203145.6 Ų145.677%0.76669%0.693SS**THydrogen-bonded Turntrans-95.9-22.5173.9-74.7-165.1179.5-148.31.8113.7N111 R112N111-R114 PolarHBondContact O-N 3.41Å; R112-R114 VanDerWaalsContact C-N 3.32Å; R112-R114 PolarHBondContact O-N 2.96Å
115Q42.7Very low47Very low140 Ų140144.8 Ų144.865%0.65470%0.698SS**G310 helixtrans-80.3-11.3-179.8-74.7-147.9-21.500115.2N111 G117 L118N111-Q115 PolarHBondContact O-N 2.94Å; Q115-G117 PolarHBondContact O-N 2.95Å; Q115-L118 PolarHBondContact O-N 2.76Å
116E48.3Very low46.2Very low159 Ų159148.6 Ų148.674%0.74371%0.713SS**G310 helixtrans-68.7-18.3173.6-73168174.700112.5
117G50.4Low45.7Very low67 Ų67149.7 Ų149.769%0.69172%0.723SS**G310 helixtrans-96.2-2.417700000116.9Q115Q115-G117 PolarHBondContact O-N 2.95Å
118L43.7Very low45.2Very low145 Ų145157.5 Ų157.576%0.75974%0.739SS**  trans-130.460.1-176.1-71.1174.7000111.6Q115Q115-L118 PolarHBondContact O-N 2.76Å
119R47.9Very low45Very low239 Ų239155.7 Ų155.790%0.90275%0.746SS**  trans-92.115.5-179.5-109-174.1-175.8-124.26115.2
120S49.7Very low44.6Very low93 Ų93151.9 Ų151.965%0.6575%0.747SS**  trans-135.7150.9174.4590000111.9
121I45.4Very low44.4Very low167 Ų167152.5 Ų152.586%0.85675%0.751SS**SBendtrans95.6121.6170.6-53.8162.3000116.6
122C39.3Very low44.1Very low99 Ų99156.7 Ų156.767%0.66977%0.765SS**  trans72.284.2163.2-152.70000119.7
123M44.1Very low44.2Very low181 Ų181160.7 Ų160.789%0.89278%0.78SS**  trans-84.5109.7143.7-86.6-80.4103.400109.2
124H35.7Very low44Very low154 Ų154152.2 Ų152.271%0.71376%0.762SS**  trans-140.7103.2160.3-98.8-74.4000113.8
125T48.5Very low44.2Very low124 Ų124148.6 Ų148.676%0.76176%0.757SS**  trans39.195.3141.654.20000119
126K34.5Very low44.8Very low198 Ų198149.5 Ų149.586%0.86176%0.759SS**  trans-136.386.3140.2-133.9160.4-169.5164.60110.9R128K126-R128 PolarHBondContact O-N 2.72Å
127K40.8Very low45.2Very low202 Ų202147.8 Ų147.888%0.87875%0.754SS**  trans-57103.2168.4-87-178.1175.11750108.6
128R39.8Very low45.5Very low226 Ų226149 Ų14985%0.85375%0.748SS**  trans-97.999.3153.7-75.1-165.4-176.1-122.75.6108K126 S130K126-R128 PolarHBondContact O-N 2.72Å; R128-S130 PolarHBondContact O-N 3.5Å; R128-S130 VanDerWaalsContact O-N 3.15Å
129V41.1Very low46.7Very low125 Ų125147.3 Ų147.376%0.75874%0.739SS**  trans-71.8101.9170.6177.90000107.8
130S41.6Very low47.8Very low101 Ų101142.8 Ų142.871%0.70673%0.726SS**  trans-143.152.5165.471.60000110.4R128 F132R128-S130 PolarHBondContact O-N 3.5Å; R128-S130 VanDerWaalsContact O-N 3.15Å; S130-F132 VanDerWaalsContact C-N 3.26Å; S130-F132 PolarHBondContact O-N 2.81Å
131S43Very low48.7Very low101 Ų101142.9 Ų142.971%0.70672%0.719SS**  trans-78.866.5178.253.10000112.1R133S131-R133 PolarHBondContact O-N 3.47Å
132F43.4Very low50Low185 Ų185138.8 Ų138.881%0.81170%0.702SS**  trans-71.576.6162.6-97.4-83.4000109.9S130 G134S130-F132 VanDerWaalsContact C-N 3.26Å; S130-F132 PolarHBondContact O-N 2.81Å; F132-G134 PolarHBondContact O-N 3.37Å; F132-G134 VanDerWaalsContact O-N 3.13Å
133R48.1Very low51.8Low245 Ų245137.4 Ų137.493%0.92569%0.687SS**  trans-84.439-178.9-160.2179.7-176.8-112.66.2112S131S131-R133 PolarHBondContact O-N 3.47Å
134G46.8Very low53.6Low43 Ų43133 Ų13344%0.44367%0.67SS.*SBendtrans-113.3-57.6178.300000113.5F132 K136F132-G134 PolarHBondContact O-N 3.37Å; F132-G134 VanDerWaalsContact O-N 3.13Å; G134-K136 VanDerWaalsContact C-N 3.33Å; G134-K136 PolarHBondContact O-N 2.91Å
135N52.9Low55.6Low126 Ų126130.7 Ų130.767%0.67466%0.663SS**THydrogen-bonded Turntrans-80.4-1.9-165.4-692000116I137 L139N135-I137 VanDerWaalsContact C-N 3.35Å; N135-I137 PolarHBondContact O-N 2.83Å; N135-L139 WeakPolarHBondContact O-CB 3.34Å; N135-L139 PolarHBondContact O-N 3.38Å
136K55.5Low57.2Low160 Ų160130.8 Ų130.870%0.69665%0.649SS**Hα-helixtrans-74.7-19.6-176.9-72-170.6179.6-177.80114.5G134 K140G134-K136 VanDerWaalsContact C-N 3.33Å; G134-K136 PolarHBondContact O-N 2.91Å; K136-K140 WeakPolarHBondContact O-CD 3.31Å; K136-K140 VanDerWaalsContact O-CG 3.3Å; K136-K140 WeakPolarHBondContact O-CG 3.36Å
137I56.4Low59.4Low122 Ų122129.9 Ų129.963%0.62664%0.64SS**Hα-helixtrans-80.4-60.7176.3-62.7171.4000108.2N135 L139 K140 D141N135-I137 VanDerWaalsContact C-N 3.35Å; N135-I137 PolarHBondContact O-N 2.83Å; I137-L139 VanDerWaalsContact C-N 3.3Å; I137-L139 PolarHBondContact O-N 3.1Å; I137-L139 VanDerWaalsContact O-N 3.15Å; I137-K140 WeakPolarHBondContact O-CB 3.4Å; I137-K140 PolarHBondContact O-N 3.09Å; I137-D141 PolarHBondContact O-N 3.33Å; I137-D141 VanDerWaalsContact O-N 3.12Å
138V57.3Low61.3Low94 Ų94124.3 Ų124.357%0.5762%0.617SS**Hα-helixtrans-50.2-44.7178.7-173.60000113K140 D141 V142V138-K140 PolarHBondContact O-N 2.81Å; V138-D141 PolarHBondContact O-N 3.19Å; V138-V142 HydrophobicContact CG1-CG2 4.37Å; V138-V142 WeakPolarHBondContact O-CB 3.1Å; V138-V142 VanDerWaalsContact O-CG2 3.29Å; V138-V142 WeakPolarHBondContact O-CG2 3.01Å; V138-V142 PolarHBondContact O-N 2.89Å
139L67.8Low63.4Low109 Ų109117.2 Ų117.257%0.57160%0.599SS**Hα-helixtrans-65.6-36.5179.8-176.961.2000112.9N135 I137 I143N135-L139 WeakPolarHBondContact O-CB 3.34Å; N135-L139 PolarHBondContact O-N 3.38Å; I137-L139 VanDerWaalsContact C-N 3.3Å; I137-L139 PolarHBondContact O-N 3.1Å; I137-L139 VanDerWaalsContact O-N 3.15Å; L139-I143 HydrophobicContact CD1-CD1 4.1Å; L139-I143 HydrophobicContact CD1-CG1 4.39Å; L139-I143 HydrophobicContact CG-CD1 3.94Å; L139-I143 WeakPolarHBondContact O-CB 3.09Å; L139-I143 WeakPolarHBondContact O-CD1 3.26Å; L139-I143 WeakPolarHBondContact O-CG1 3.49Å; L139-I143 PolarHBondContact O-N 2.92Å
140K71.2Confident65.2Low143 Ų143114 Ų11462%0.62258%0.575SS**Hα-helixtrans-65.2-45.2175.1-75.2175.6178.9-1750110.6K136 I137 V138 V142 I143 T144K136-K140 WeakPolarHBondContact O-CD 3.31Å; K136-K140 VanDerWaalsContact O-CG 3.3Å; K136-K140 WeakPolarHBondContact O-CG 3.36Å; I137-K140 WeakPolarHBondContact O-CB 3.4Å; I137-K140 PolarHBondContact O-N 3.09Å; V138-K140 PolarHBondContact O-N 2.81Å; K140-V142 PolarHBondContact O-N 3.44Å; K140-I143 PolarHBondContact O-N 3.08Å; K140-T144 WeakPolarHBondContact O-CB 3.28Å; K140-T144 PolarHBondContact O-N 3.46Å; K140-T144 PolarHBondContact O-OG1 3.33Å
141D70.3Confident67.3Low95 Ų95113.1 Ų113.151%0.50857%0.566SS.*Hα-helixtrans-65.9-40.9-177.5-58.4-31.2000111.1I137 V138 I143 T144 L145I137-D141 PolarHBondContact O-N 3.33Å; I137-D141 VanDerWaalsContact O-N 3.12Å; V138-D141 PolarHBondContact O-N 3.19Å; D141-I143 PolarHBondContact O-N 2.74Å; D141-T144 PolarHBondContact O-N 2.93Å; D141-L145 VanDerWaalsContact O-CB 3.26Å; D141-L145 WeakPolarHBondContact O-CB 3.37Å; D141-L145 PolarHBondContact O-N 2.97Å
142V71.8Confident69.3Low81 Ų81114.6 Ų114.649%0.49156%0.56SS.*Hα-helixtrans-61.1-42.8172.2170.60000112V138 K140 R146V138-V142 HydrophobicContact CG1-CG2 4.37Å; V138-V142 WeakPolarHBondContact O-CB 3.1Å; V138-V142 VanDerWaalsContact O-CG2 3.29Å; V138-V142 WeakPolarHBondContact O-CG2 3.01Å; V138-V142 PolarHBondContact O-N 2.89Å; K140-V142 PolarHBondContact O-N 3.44Å; V142-R146 WeakPolarHBondContact O-CB 3.46Å; V142-R146 PolarHBondContact O-N 3.47Å
143I77.4Confident71.4Confident71 Ų71109.4 Ų109.436%0.36454%0.543SS..Hα-helixtrans-66.2-39.1176.5-70.3165.9000111.3L139 K140 D141 R146 R147L139-I143 HydrophobicContact CD1-CD1 4.1Å; L139-I143 HydrophobicContact CD1-CG1 4.39Å; L139-I143 HydrophobicContact CG-CD1 3.94Å; L139-I143 WeakPolarHBondContact O-CB 3.09Å; L139-I143 WeakPolarHBondContact O-CD1 3.26Å; L139-I143 WeakPolarHBondContact O-CG1 3.49Å; L139-I143 PolarHBondContact O-N 2.92Å; K140-I143 PolarHBondContact O-N 3.08Å; D141-I143 PolarHBondContact O-N 2.74Å; I143-R146 PolarHBondContact O-N 3.33Å; I143-R147 WeakPolarHBondContact O-CG 3.47Å; I143-R147 PolarHBondContact O-N 3.07Å
144T80.9Confident73Confident88 Ų88104.3 Ų104.354%0.5452%0.524SS..Hα-helixtrans-69.4-44.4-179.9-47.20000110.7K140 D141 R147 H148K140-T144 WeakPolarHBondContact O-CB 3.28Å; K140-T144 PolarHBondContact O-N 3.46Å; K140-T144 PolarHBondContact O-OG1 3.33Å; D141-T144 PolarHBondContact O-N 2.93Å; T144-R147 PolarHBondContact O-N 3.36Å; T144-H148 PolarHBondContact O-N 3.05Å
145L77.5Confident74.5Confident106 Ų106104.5 Ų104.556%0.55552%0.521SS*.Hα-helixtrans-61-44.5173.6-176.261.6000111.5D141 R147 H148 V149D141-L145 VanDerWaalsContact O-CB 3.26Å; D141-L145 WeakPolarHBondContact O-CB 3.37Å; D141-L145 PolarHBondContact O-N 2.97Å; L145-R147 PolarHBondContact O-N 2.9Å; L145-H148 PolarHBondContact O-N 3.44Å; L145-V149 HydrophobicContact CD1-CG2 4.4Å; L145-V149 WeakPolarHBondContact O-CG2 3.49Å; L145-V149 PolarHBondContact O-N 3.23Å
146R82.5Confident75.9Confident126 Ų126106.4 Ų106.448%0.47552%0.524SS..Hα-helixtrans-57-46.7174.6-177.1-175.8-176-81.15111.8V142 I143 V149 E150V142-R146 WeakPolarHBondContact O-CB 3.46Å; V142-R146 PolarHBondContact O-N 3.47Å; I143-R146 PolarHBondContact O-N 3.33Å; R146-V149 PolarHBondContact O-N 2.93Å; R146-E150 IonicContact CZ-OE1 2.78Å; R146-E150 IonicContact NE-OE1 2.76Å; R146-E150 IonicContact NH1-OE1 2.63Å; R146-E150 PolarHBondContact NH1-OE1 2.86Å; R146-E150 IonicContact NH2-OE1 3.14Å; R146-E150 WeakPolarHBondContact O-CB 3.43Å; R146-E150 PolarHBondContact O-N 3.48Å
147R82.3Confident77.1Confident178 Ų178103.8 Ų103.867%0.67252%0.516SS*.Hα-helixtrans-61.5-44.3176.3-74.3174.6177.5-169.9-1.1112I143 T144 L145 E150 T151I143-R147 WeakPolarHBondContact O-CG 3.47Å; I143-R147 PolarHBondContact O-N 3.07Å; T144-R147 PolarHBondContact O-N 3.36Å; L145-R147 PolarHBondContact O-N 2.9Å; R147-E150 PolarHBondContact O-N 3.4Å; R147-T151 WeakPolarHBondContact O-CG2 3.32Å; R147-T151 PolarHBondContact O-N 3.5Å; R147-T151 PolarHBondContact O-OG1 3.25Å
148H79.4Confident78.1Confident86 Ų86107 Ų10740%0.39852%0.52SS..Hα-helixtrans-67-37.4178.7167.3-113.5000113.4T144 L145 T151 K152T144-H148 PolarHBondContact O-N 3.05Å; L145-H148 PolarHBondContact O-N 3.44Å; H148-T151 PolarHBondContact O-OG1 2.87Å; H148-K152 PolarHBondContact CE1-NZ 3.42Å; H148-K152 VanDerWaalsContact CE1-NZ 3.31Å; H148-K152 WeakPolarHBondContact NE2-CE 3.3Å; H148-K152 PolarHBondContact NE2-NZ 3.29Å; H148-K152 PolarHBondContact O-N 2.8Å; H148-K152 VanDerWaalsContact O-N 3.14Å
149V85.1Confident78.9Confident77 Ų77110.1 Ų110.147%0.46753%0.526SS..Hα-helixtrans-68-43.2173173.40000110.5L145 R146 T151 K152 V153L145-V149 HydrophobicContact CD1-CG2 4.4Å; L145-V149 WeakPolarHBondContact O-CG2 3.49Å; L145-V149 PolarHBondContact O-N 3.23Å; R146-V149 PolarHBondContact O-N 2.93Å; V149-T151 PolarHBondContact O-N 3.18Å; V149-K152 PolarHBondContact O-N 2.93Å; V149-V153 HydrophobicContact CG1-CG2 4.29Å; V149-V153 WeakPolarHBondContact O-CB 3.28Å; V149-V153 WeakPolarHBondContact O-CG2 3.24Å; V149-V153 PolarHBondContact O-N 3.36Å
150E78.7Confident79.1Confident56 Ų56114 Ų11426%0.26253%0.533SS..Hα-helixtrans-60.1-43.8175.7-84.3-166.8-131.700113R146 R147 V153 R154R146-E150 IonicContact CZ-OE1 2.78Å; R146-E150 IonicContact NE-OE1 2.76Å; R146-E150 IonicContact NH1-OE1 2.63Å; R146-E150 PolarHBondContact NH1-OE1 2.86Å; R146-E150 IonicContact NH2-OE1 3.14Å; R146-E150 WeakPolarHBondContact O-CB 3.43Å; R146-E150 PolarHBondContact O-N 3.48Å; R147-E150 PolarHBondContact O-N 3.4Å; E150-V153 PolarHBondContact O-N 3.03Å; E150-R154 WeakPolarHBondContact O-CB 3.26Å; E150-R154 WeakPolarHBondContact O-CG 3.42Å; E150-R154 PolarHBondContact O-N 2.77Å; E150-R154 IonicContact OE2-CZ 3.56Å; E150-R154 IonicContact OE2-NE 3.41Å; E150-R154 IonicContact OE2-NH2 3.98Å; E150-R154 PolarHBondContact OE2-NH2 2.93Å
151T85.6Confident79.1Confident84 Ų84114.2 Ų114.252%0.51553%0.534SS..Hα-helixtrans-65.4-41.8177.954.30000111.5R147 H148 V149 R154 A155R147-T151 WeakPolarHBondContact O-CG2 3.32Å; R147-T151 PolarHBondContact O-N 3.5Å; R147-T151 PolarHBondContact O-OG1 3.25Å; H148-T151 PolarHBondContact O-OG1 2.87Å; V149-T151 PolarHBondContact O-N 3.18Å; T151-R154 PolarHBondContact O-N 3.43Å; T151-A155 VanDerWaalsContact O-CB 3.25Å; T151-A155 WeakPolarHBondContact O-CB 3.31Å; T151-A155 PolarHBondContact O-N 2.74Å
152K84.8Confident79Confident132 Ų132113.6 Ų113.657%0.57453%0.533SS*.Hα-helixtrans-61.4-44.1173.8-81.9-177.1167.3166.70112.6H148 V149 A155 K156H148-K152 PolarHBondContact CE1-NZ 3.42Å; H148-K152 VanDerWaalsContact CE1-NZ 3.31Å; H148-K152 WeakPolarHBondContact NE2-CE 3.3Å; H148-K152 PolarHBondContact NE2-NZ 3.29Å; H148-K152 PolarHBondContact O-N 2.8Å; H148-K152 VanDerWaalsContact O-N 3.14Å; V149-K152 PolarHBondContact O-N 2.93Å; K152-A155 PolarHBondContact O-N 3.45Å; K152-K156 WeakPolarHBondContact O-CB 3.49Å; K152-K156 PolarHBondContact O-N 3.44Å
153V87.1Confident78.3Confident76 Ų76113.3 Ų113.346%0.46153%0.532SS..Hα-helixtrans-65.5-47177.1170.90000111V149 E150 A155 K156 I157V149-V153 HydrophobicContact CG1-CG2 4.29Å; V149-V153 WeakPolarHBondContact O-CB 3.28Å; V149-V153 WeakPolarHBondContact O-CG2 3.24Å; V149-V153 PolarHBondContact O-N 3.36Å; E150-V153 PolarHBondContact O-N 3.03Å; V153-A155 VanDerWaalsContact C-N 3.34Å; V153-A155 PolarHBondContact O-N 3.1Å; V153-K156 PolarHBondContact O-N 2.86Å; V153-I157 HydrophobicContact CG1-CD1 3.75Å; V153-I157 HydrophobicContact CG1-CG1 4.4Å; V153-I157 WeakPolarHBondContact O-CG1 3.35Å; V153-I157 PolarHBondContact O-N 3.05Å
154R81.1Confident77.5Confident137 Ų137114.2 Ų114.252%0.51754%0.541SS..Hα-helixtrans-60.5-41.5176.3-70.2173.5-166.7-146.911.4111.8E150 T151 I157 R158E150-R154 WeakPolarHBondContact O-CB 3.26Å; E150-R154 WeakPolarHBondContact O-CG 3.42Å; E150-R154 PolarHBondContact O-N 2.77Å; E150-R154 IonicContact OE2-CZ 3.56Å; E150-R154 IonicContact OE2-NE 3.41Å; E150-R154 IonicContact OE2-NH2 3.98Å; E150-R154 PolarHBondContact OE2-NH2 2.93Å; T151-R154 PolarHBondContact O-N 3.43Å; R154-I157 PolarHBondContact O-N 2.83Å; R154-R158 WeakPolarHBondContact O-CB 3.33Å; R154-R158 WeakPolarHBondContact O-CG 3.37Å; R154-R158 PolarHBondContact O-N 3.37Å
155A79.9Confident76.3Confident47 Ų47117.3 Ų117.339%0.38855%0.547SS..Hα-helixtrans-64.2-41.217500000112T151 K152 V153 R158 K159T151-A155 VanDerWaalsContact O-CB 3.25Å; T151-A155 WeakPolarHBondContact O-CB 3.31Å; T151-A155 PolarHBondContact O-N 2.74Å; K152-A155 PolarHBondContact O-N 3.45Å; V153-A155 VanDerWaalsContact C-N 3.34Å; V153-A155 PolarHBondContact O-N 3.1Å; A155-R158 PolarHBondContact O-N 2.85Å; A155-K159 WeakPolarHBondContact O-CB 3.19Å; A155-K159 WeakPolarHBondContact O-CG 3.33Å; A155-K159 PolarHBondContact O-N 3.3Å
156K81.4Confident75.3Confident167 Ų167117.6 Ų117.673%0.72655%0.548SS*.Hα-helixtrans-68.2-37.5177.4-156.2167-172.7174.70112K152 V153 R160K152-K156 WeakPolarHBondContact O-CB 3.49Å; K152-K156 PolarHBondContact O-N 3.44Å; V153-K156 PolarHBondContact O-N 2.86Å; K156-R160 VanDerWaalsContact O-CB 3.3Å; K156-R160 WeakPolarHBondContact O-CB 3.27Å; K156-R160 PolarHBondContact O-N 2.97Å
157I80.3Confident73.9Confident105 Ų105117.2 Ų117.254%0.53856%0.555SS.*Hα-helixtrans-65.8-45.3171.7-68.1167.7000110.9V153 R154 R160 K161V153-I157 HydrophobicContact CG1-CD1 3.75Å; V153-I157 HydrophobicContact CG1-CG1 4.4Å; V153-I157 WeakPolarHBondContact O-CG1 3.35Å; V153-I157 PolarHBondContact O-N 3.05Å; R154-I157 PolarHBondContact O-N 2.83Å; I157-R160 PolarHBondContact O-N 3.3Å; I157-K161 WeakPolarHBondContact O-CB 3.29Å; I157-K161 PolarHBondContact O-N 2.97Å
158R77.1Confident72.6Confident190 Ų190116.4 Ų116.472%0.71756%0.559SS**Hα-helixtrans-60.9-49.2175.8-76.3177179.2-178.9-1.9111.3R154 A155 R160 K161 V162R154-R158 WeakPolarHBondContact O-CB 3.33Å; R154-R158 WeakPolarHBondContact O-CG 3.37Å; R154-R158 PolarHBondContact O-N 3.37Å; A155-R158 PolarHBondContact O-N 2.85Å; R158-R160 PolarHBondContact O-N 3.19Å; R158-K161 PolarHBondContact O-N 3.4Å; R158-V162 WeakPolarHBondContact O-CB 3.45Å; R158-V162 WeakPolarHBondContact O-CG2 3.34Å; R158-V162 PolarHBondContact O-N 2.92Å
159K75.7Confident71.4Confident158 Ų158120 Ų12069%0.68758%0.576SS**Hα-helixtrans-56.5-46.6174.4-75.5-171.8176.7-167.60111.5A155 K161 V162 T163A155-K159 WeakPolarHBondContact O-CB 3.19Å; A155-K159 WeakPolarHBondContact O-CG 3.33Å; A155-K159 PolarHBondContact O-N 3.3Å; K159-K161 PolarHBondContact O-N 3.33Å; K159-V162 PolarHBondContact O-N 2.83Å; K159-T163 WeakPolarHBondContact O-CG2 3.3Å; K159-T163 PolarHBondContact O-N 2.81Å; K159-T163 PolarHBondContact O-OG1 2.94Å
160R70.5Confident69.8Low190 Ų190121.8 Ų121.872%0.71758%0.583SS**Hα-helixtrans-62.4-41.6176.1-169.5178.1-176.9-171.71.3112.6K156 I157 R158 T163 T164K156-R160 VanDerWaalsContact O-CB 3.3Å; K156-R160 WeakPolarHBondContact O-CB 3.27Å; K156-R160 PolarHBondContact O-N 2.97Å; I157-R160 PolarHBondContact O-N 3.3Å; R158-R160 PolarHBondContact O-N 3.19Å; R160-T163 PolarHBondContact O-N 3.32Å; R160-T163 PolarHBondContact O-OG1 2.98Å; R160-T163 VanDerWaalsContact O-OG1 3.13Å; R160-T164 WeakPolarHBondContact O-CB 3.44Å; R160-T164 PolarHBondContact O-N 3.01Å; R160-T164 PolarHBondContact O-OG1 2.84Å
161K72.8Confident68.6Low149 Ų149129.1 Ų129.165%0.64861%0.613SS**Hα-helixtrans-67.9-35.8177.7-167.9173.1-176177.60111.9I157 R158 K159 K165I157-K161 WeakPolarHBondContact O-CB 3.29Å; I157-K161 PolarHBondContact O-N 2.97Å; R158-K161 PolarHBondContact O-N 3.4Å; K159-K161 PolarHBondContact O-N 3.33Å; K161-K165 PolarHBondContact O-N 3.41Å
162V67.6Low67.2Low81 Ų81129.2 Ų129.249%0.49161%0.61SS.*Hα-helixtrans-67.9-48.4173169.50000110.8R158 K159 T164 K165 I166R158-V162 WeakPolarHBondContact O-CB 3.45Å; R158-V162 WeakPolarHBondContact O-CG2 3.34Å; R158-V162 PolarHBondContact O-N 2.92Å; K159-V162 PolarHBondContact O-N 2.83Å; V162-T164 VanDerWaalsContact C-N 3.31Å; V162-T164 PolarHBondContact O-N 3.32Å; V162-K165 PolarHBondContact O-N 3.46Å; V162-K165 VanDerWaalsContact O-N 3.11Å; V162-I166 HydrophobicContact CG1-CD1 3.73Å; V162-I166 HydrophobicContact CG1-CG1 4.41Å; V162-I166 WeakPolarHBondContact O-CG1 3.24Å; V162-I166 PolarHBondContact O-N 3.45Å
163T57.8Low65.7Low75 Ų75129.1 Ų129.146%0.4662%0.616SS.*Hα-helixtrans-65.9-32176.9580000112.7K159 R160 N167K159-T163 WeakPolarHBondContact O-CG2 3.3Å; K159-T163 PolarHBondContact O-N 2.81Å; K159-T163 PolarHBondContact O-OG1 2.94Å; R160-T163 PolarHBondContact O-N 3.32Å; R160-T163 PolarHBondContact O-OG1 2.98Å; R160-T163 VanDerWaalsContact O-OG1 3.13Å; T163-N167 WeakPolarHBondContact O-CB 3.27Å; T163-N167 PolarHBondContact O-N 2.88Å; T163-N167 PolarHBondContact O-ND2 3.05Å
164T59.3Low64Low90 Ų90127.8 Ų127.855%0.55262%0.617SS**Hα-helixtrans-67.1-38.2170.3-590000112.3R160 V162 H168R160-T164 WeakPolarHBondContact O-CB 3.44Å; R160-T164 PolarHBondContact O-N 3.01Å; R160-T164 PolarHBondContact O-OG1 2.84Å; V162-T164 VanDerWaalsContact C-N 3.31Å; V162-T164 PolarHBondContact O-N 3.32Å; T164-H168 PolarHBondContact O-N 3.29Å
165K55.7Low62.7Low153 Ų153130.2 Ų130.267%0.66563%0.632SS**Hα-helixtrans-66.2-42.6172.4-88-162.9166.5-160.20112.5K161 V162 N167 H168K161-K165 PolarHBondContact O-N 3.41Å; V162-K165 PolarHBondContact O-N 3.46Å; V162-K165 VanDerWaalsContact O-N 3.11Å; K165-N167 VanDerWaalsContact C-N 3.33Å; K165-N167 PolarHBondContact O-N 2.88Å; K165-H168 WeakPolarHBondContact O-CB 3.42Å; K165-H168 PolarHBondContact O-N 3.37Å
166I56.8Low61.5Low112 Ų112138.5 Ų138.557%0.57465%0.653SS**Hα-helixtrans-61-43.3177.1-67.6165.9000110.4V162 H168 H169V162-I166 HydrophobicContact CG1-CD1 3.73Å; V162-I166 HydrophobicContact CG1-CG1 4.41Å; V162-I166 WeakPolarHBondContact O-CG1 3.24Å; V162-I166 PolarHBondContact O-N 3.45Å; I166-H168 PolarHBondContact O-N 3.35Å; I166-H168 VanDerWaalsContact O-N 3.08Å; I166-H169 PolarHBondContact O-N 3.23Å
167N53.3Low60.2Low118 Ų118136.7 Ų136.763%0.63165%0.645SS**THydrogen-bonded Turntrans-68-2.1174.9-83.1-89000114.9T163 K165T163-N167 WeakPolarHBondContact O-CB 3.27Å; T163-N167 PolarHBondContact O-N 2.88Å; T163-N167 PolarHBondContact O-ND2 3.05Å; K165-N167 VanDerWaalsContact C-N 3.33Å; K165-N167 PolarHBondContact O-N 2.88Å
168H55.4Low59.3Low161 Ų161136 Ų13675%0.74565%0.646SS**THydrogen-bonded Turntrans-98.3-8.3176.4-157.760.8000113.5T164 K165 I166T164-H168 PolarHBondContact O-N 3.29Å; K165-H168 WeakPolarHBondContact O-CB 3.42Å; K165-H168 PolarHBondContact O-N 3.37Å; I166-H168 PolarHBondContact O-N 3.35Å; I166-H168 VanDerWaalsContact O-N 3.08Å
169H53.2Low58.9Low162 Ų162129.2 Ų129.275%0.7563%0.63SS**  trans-93.8-6.7178.2-91.6-81.3000115I166 K171I166-H169 PolarHBondContact O-N 3.23Å; H169-K171 VanDerWaalsContact C-N 3.34Å; H169-K171 PolarHBondContact O-N 3.39Å
170D52.8Low58.9Low115 Ų115130.4 Ų130.462%0.61563%0.63SS**  trans-65.596.1163.1-80.7-6.1000109.1I172D170-I172 HydrophobicContact CB-CG1 4.24Å; D170-I172 WeakPolarHBondContact O-CG1 3.49Å; D170-I172 PolarHBondContact O-N 2.9Å
171K52.5Low59.1Low209 Ų209128.8 Ų128.891%0.90963%0.629SS**  trans-63.676.1163.9-80.8-176.5176.4176.90109.1H169 N173H169-K171 VanDerWaalsContact C-N 3.34Å; H169-K171 PolarHBondContact O-N 3.39Å; K171-N173 PolarHBondContact O-N 3.21Å
172I56.1Low59.1Low86 Ų86127.3 Ų127.344%0.44162%0.624SS.*  trans-57.7111.3175.6-72.8152.2000108D170 G174 K177D170-I172 HydrophobicContact CB-CG1 4.24Å; D170-I172 WeakPolarHBondContact O-CG1 3.49Å; D170-I172 PolarHBondContact O-N 2.9Å; I172-G174 WeakPolarHBondContact O-CA 3.41Å; I172-G174 PolarHBondContact O-N 3.42Å; I172-K177 HydrophobicContact CG2-CD 3.54Å; I172-K177 HydrophobicContact CG2-CG 3.81Å
173N54.3Low60.1Low130 Ų130130.2 Ų130.270%0.69563%0.63SS**  trans-54.6101.8178.2-164.9-22.9000110.2K171 K175 R176K171-N173 PolarHBondContact O-N 3.21Å; N173-K175 PolarHBondContact O-N 3.47Å; N173-R176 PolarHBondContact O-N 3.02Å
174G51.5Low61.5Low48 Ų48131.9 Ų131.950%0.49563%0.634SS.*Hα-helixtrans-64.7-21.3-154.200000115.3I172 T178I172-G174 WeakPolarHBondContact O-CA 3.41Å; I172-G174 PolarHBondContact O-N 3.42Å; G174-T178 PolarHBondContact O-OG1 3.08Å
175K53.7Low62.8Low188 Ų188133.7 Ų133.782%0.81763%0.634SS**Hα-helixtrans-71.7-33.2-176.3-64.9-175.7176.8-179.10113.2N173N173-K175 PolarHBondContact O-N 3.47Å
176R54.4Low64.4Low221 Ų221131.6 Ų131.683%0.83463%0.627SS**Hα-helixtrans-81.4-31.3-171.6-149175.4-165.4176.95.5114.1N173 R180N173-R176 PolarHBondContact O-N 3.02Å; R176-R180 PolarHBondContact O-N 3.5Å
177K54.2Low66.1Low130 Ų130135.5 Ų135.557%0.56563%0.634SS**Hα-helixtrans-75.1-35.5-180-68.4-155.2-174.21690112.7I172 R180 K181I172-K177 HydrophobicContact CG2-CD 3.54Å; I172-K177 HydrophobicContact CG2-CG 3.81Å; K177-R180 PolarHBondContact O-N 2.93Å; K177-K181 WeakPolarHBondContact O-CB 3.46Å; K177-K181 PolarHBondContact O-N 3.02Å
178T60.9Low67.8Low90 Ų90132.5 Ų132.555%0.55263%0.626SS**Hα-helixtrans-63.1-48.4177.3-47.40000111.3G174 R180 K181 Q182G174-T178 PolarHBondContact O-OG1 3.08Å; T178-R180 PolarHBondContact O-N 3.29Å; T178-K181 PolarHBondContact O-N 2.86Å; T178-Q182 WeakPolarHBondContact O-CB 3.5Å; T178-Q182 PolarHBondContact O-N 3.43Å
179A69.2Low69.5Low47 Ų47129.6 Ų129.639%0.38861%0.613SS.*Hα-helixtrans-60.2-41.9176.900000113K183A179-K183 WeakPolarHBondContact O-CB 3.36Å; A179-K183 WeakPolarHBondContact O-CG 3.19Å; A179-K183 PolarHBondContact O-N 3.41Å
180R74.2Confident71.4Confident184 Ų184125.5 Ų125.569%0.69459%0.594SS**Hα-helixtrans-66.4-40.5175.8-170.8175.8176.8173.9-0.1111.7R176 K177 T178 M184R176-R180 PolarHBondContact O-N 3.5Å; K177-R180 PolarHBondContact O-N 2.93Å; T178-R180 PolarHBondContact O-N 3.29Å; R180-M184 HydrophobicContact CG-CE 4.28Å; R180-M184 WeakPolarHBondContact O-CG 3.4Å; R180-M184 PolarHBondContact O-N 3.43Å
181K75.1Confident73.3Confident156 Ų156125.6 Ų125.668%0.67859%0.594SS**Hα-helixtrans-65.4-42.6177.3-168.1178.5-179.3-174.40111.7K177 T178 M184 F185K177-K181 WeakPolarHBondContact O-CB 3.46Å; K177-K181 PolarHBondContact O-N 3.02Å; T178-K181 PolarHBondContact O-N 2.86Å; K181-M184 PolarHBondContact O-N 2.98Å; K181-F185 PolarHBondContact O-N 2.87Å
182Q74Confident75Confident117 Ų117123.8 Ų123.855%0.54758%0.581SS.*Hα-helixtrans-65.1-43.3176.4-168.4174.16.800111.9T178 M184 F185 Q186T178-Q182 WeakPolarHBondContact O-CB 3.5Å; T178-Q182 PolarHBondContact O-N 3.43Å; Q182-M184 VanDerWaalsContact C-N 3.34Å; Q182-M184 PolarHBondContact O-N 3.03Å; Q182-F185 PolarHBondContact O-N 2.72Å; Q182-Q186 WeakPolarHBondContact O-CG 3.22Å; Q182-Q186 PolarHBondContact O-N 3.48Å
183K88Confident76.6Confident143 Ų143127.3 Ų127.362%0.62259%0.589SS**Hα-helixtrans-61.7-37.7172.6-75.4-177.7177.7-172.50112.9A179 R187A179-K183 WeakPolarHBondContact O-CB 3.36Å; A179-K183 WeakPolarHBondContact O-CG 3.19Å; A179-K183 PolarHBondContact O-N 3.41Å; K183-R187 WeakPolarHBondContact O-CB 3.18Å; K183-R187 WeakPolarHBondContact O-CG 3.33Å; K183-R187 PolarHBondContact O-N 3.31Å
184M87.8Confident78.2Confident109 Ų109128.5 Ų128.554%0.53758%0.584SS.*Hα-helixtrans-68.8-38.9174.2-71.4-175.5-57.100112.1R180 K181 Q182 R187 A188R180-M184 HydrophobicContact CG-CE 4.28Å; R180-M184 WeakPolarHBondContact O-CG 3.4Å; R180-M184 PolarHBondContact O-N 3.43Å; K181-M184 PolarHBondContact O-N 2.98Å; Q182-M184 VanDerWaalsContact C-N 3.34Å; Q182-M184 PolarHBondContact O-N 3.03Å; M184-R187 PolarHBondContact O-N 2.71Å; M184-A188 WeakPolarHBondContact O-CB 3.36Å; M184-A188 PolarHBondContact O-N 3Å
185F86Confident79.7Confident128 Ų128129 Ų12956%0.56158%0.584SS**Hα-helixtrans-65-45175.8-174.7-105.7000112.1K181 Q182 R187 A188 Q189K181-F185 PolarHBondContact O-N 2.87Å; Q182-F185 PolarHBondContact O-N 2.72Å; F185-R187 PolarHBondContact O-N 2.89Å; F185-A188 PolarHBondContact O-N 3.48Å; F185-Q189 HydrophobicContact CE1-CG 4.24Å; F185-Q189 VanDerWaalsContact CE1-NE2 3.27Å; F185-Q189 HydrophobicContact CZ-CG 4.4Å; F185-Q189 PolarHBondContact O-N 2.83Å
186Q90Very high80.9Confident109 Ų109124 Ų12451%0.50956%0.563SS.*Hα-helixtrans-59.6-44.7173-74.6175-21.300111.9Q182 A188 Q189 E190Q182-Q186 WeakPolarHBondContact O-CG 3.22Å; Q182-Q186 PolarHBondContact O-N 3.48Å; Q186-A188 VanDerWaalsContact C-N 3.32Å; Q186-A188 PolarHBondContact O-N 2.89Å; Q186-Q189 PolarHBondContact O-N 3.28Å; Q186-E190 WeakPolarHBondContact O-CB 3.42Å; Q186-E190 PolarHBondContact O-N 3.08Å
187R90.9Very high82.4Confident194 Ų194117.1 Ų117.173%0.73254%0.543SS*.Hα-helixtrans-61.8-37174.3-78.6-173.6176.1-160.2-1.3112.8K183 M184 F185 E190 L191K183-R187 WeakPolarHBondContact O-CB 3.18Å; K183-R187 WeakPolarHBondContact O-CG 3.33Å; K183-R187 PolarHBondContact O-N 3.31Å; M184-R187 PolarHBondContact O-N 2.71Å; F185-R187 PolarHBondContact O-N 2.89Å; R187-E190 PolarHBondContact O-N 2.87Å; R187-L191 WeakPolarHBondContact O-CB 3.46Å; R187-L191 VanDerWaalsContact O-CG 3.3Å; R187-L191 WeakPolarHBondContact O-CG 3.44Å; R187-L191 PolarHBondContact O-N 3.27Å
188A90.6Very high83.4Confident56 Ų56117.8 Ų117.846%0.46354%0.543SS..Hα-helixtrans-67.9-39.717600000112.2M184 F185 Q186 R192M184-A188 WeakPolarHBondContact O-CB 3.36Å; M184-A188 PolarHBondContact O-N 3Å; F185-A188 PolarHBondContact O-N 3.48Å; Q186-A188 VanDerWaalsContact C-N 3.32Å; Q186-A188 PolarHBondContact O-N 2.89Å; A188-R192 WeakPolarHBondContact O-CB 3.2Å; A188-R192 PolarHBondContact O-N 3.42Å
189Q90.9Very high83.9Confident100 Ų100119.3 Ų119.347%0.46754%0.543SS..Hα-helixtrans-64.9-40.2173.3-72.1-176.2-36.400112.2F185 Q186 R192 R193F185-Q189 HydrophobicContact CE1-CG 4.24Å; F185-Q189 VanDerWaalsContact CE1-NE2 3.27Å; F185-Q189 HydrophobicContact CZ-CG 4.4Å; F185-Q189 PolarHBondContact O-N 2.83Å; Q186-Q189 PolarHBondContact O-N 3.28Å; Q189-R192 WeakPolarHBondContact O-CB 3.32Å; Q189-R192 PolarHBondContact O-N 3.05Å; Q189-R193 PolarHBondContact O-N 3.45Å
190E91.9Very high83.9Confident76 Ų76121.7 Ų121.736%0.35555%0.545SS..Hα-helixtrans-65.9-44.1176.6-179.759.4-165.400112.2Q186 R187 R192 R193 R194Q186-E190 WeakPolarHBondContact O-CB 3.42Å; Q186-E190 PolarHBondContact O-N 3.08Å; R187-E190 PolarHBondContact O-N 2.87Å; E190-R192 VanDerWaalsContact C-N 3.28Å; E190-R192 PolarHBondContact O-N 2.86Å; E190-R193 PolarHBondContact O-N 3.46Å; E190-R194 WeakPolarHBondContact O-CG 3.47Å; E190-R194 PolarHBondContact O-N 3.5Å; E190-R194 IonicContact OE1-CZ 3.57Å; E190-R194 IonicContact OE1-NE 3.44Å; E190-R194 PolarHBondContact OE1-NE 3.13Å; E190-R194 IonicContact OE1-NH2 2.69Å; E190-R194 PolarHBondContact OE1-NH2 3.47Å
191L92.5Very high83.6Confident117 Ų117118.4 Ų118.461%0.61355%0.549SS*.Hα-helixtrans-61.4-37.8173.4-74.2170.9000112R187 R194 A195R187-L191 WeakPolarHBondContact O-CB 3.46Å; R187-L191 VanDerWaalsContact O-CG 3.3Å; R187-L191 WeakPolarHBondContact O-CG 3.44Å; R187-L191 PolarHBondContact O-N 3.27Å; L191-R194 PolarHBondContact O-N 2.81Å; L191-A195 WeakPolarHBondContact O-CB 3.33Å; L191-A195 PolarHBondContact O-N 2.91Å
192R89.6Confident83.4Confident170 Ų170117.4 Ų117.464%0.64255%0.545SS*.Hα-helixtrans-63.4-47.2174.5178.5176.4173.7165.72.7111.7A188 Q189 E190 R194 A195 E196A188-R192 WeakPolarHBondContact O-CB 3.2Å; A188-R192 PolarHBondContact O-N 3.42Å; Q189-R192 WeakPolarHBondContact O-CB 3.32Å; Q189-R192 PolarHBondContact O-N 3.05Å; E190-R192 VanDerWaalsContact C-N 3.28Å; E190-R192 PolarHBondContact O-N 2.86Å; R192-R194 PolarHBondContact O-N 3.19Å; R192-A195 PolarHBondContact O-N 3.11Å; R192-E196 WeakPolarHBondContact CG-OE1 3.36Å; R192-E196 IonicContact CZ-OE1 3.31Å; R192-E196 IonicContact NE-OE1 3.52Å; R192-E196 PolarHBondContact NE-OE1 2.69Å; R192-E196 IonicContact NH2-OE1 2.71Å; R192-E196 PolarHBondContact NH2-OE1 2.86Å; R192-E196 WeakPolarHBondContact O-CG 3.5Å; R192-E196 PolarHBondContact O-N 2.98Å
193R88.3Confident83Confident161 Ų161113.7 Ų113.761%0.60853%0.528SS*.Hα-helixtrans-58.2-46.6175.4-76.4-179.2172.8174.8-3.6111.7Q189 E190 A195 E196 D197Q189-R193 PolarHBondContact O-N 3.45Å; E190-R193 PolarHBondContact O-N 3.46Å; R193-A195 VanDerWaalsContact C-N 3.32Å; R193-A195 PolarHBondContact O-N 2.86Å; R193-E196 PolarHBondContact O-N 3.38Å; R193-E196 VanDerWaalsContact O-N 3.15Å; R193-D197 WeakPolarHBondContact O-CB 3.33Å; R193-D197 PolarHBondContact O-N 3.33Å
194R87.3Confident82.1Confident155 Ų155110.1 Ų110.159%0.58552%0.52SS*.Hα-helixtrans-61.9-35.9176.4-68.5176.8-166.4-176.11113.3E190 L191 R192 Y198E190-R194 WeakPolarHBondContact O-CG 3.47Å; E190-R194 PolarHBondContact O-N 3.5Å; E190-R194 IonicContact OE1-CZ 3.57Å; E190-R194 IonicContact OE1-NE 3.44Å; E190-R194 PolarHBondContact OE1-NE 3.13Å; E190-R194 IonicContact OE1-NH2 2.69Å; E190-R194 PolarHBondContact OE1-NH2 3.47Å; L191-R194 PolarHBondContact O-N 2.81Å; R192-R194 PolarHBondContact O-N 3.19Å; R194-Y198 WeakPolarHBondContact O-CB 3.3Å; R194-Y198 PolarHBondContact O-N 2.86Å
195A84Confident80.9Confident59 Ų59110 Ų11049%0.48853%0.527SS..Hα-helixtrans-68.7-41.3174.100000112L191 R192 R193 H199L191-A195 WeakPolarHBondContact O-CB 3.33Å; L191-A195 PolarHBondContact O-N 2.91Å; R192-A195 PolarHBondContact O-N 3.11Å; R193-A195 VanDerWaalsContact C-N 3.32Å; R193-A195 PolarHBondContact O-N 2.86Å; A195-H199 WeakPolarHBondContact O-CB 3.47Å; A195-H199 PolarHBondContact O-N 2.88Å
196E80Confident79.8Confident82 Ų82108 Ų10838%0.38353%0.528SS..Hα-helixtrans-64.3-40.6174.7-71.4171-169.700111.5R192 R193 H199 K200R192-E196 WeakPolarHBondContact CG-OE1 3.36Å; R192-E196 IonicContact CZ-OE1 3.31Å; R192-E196 IonicContact NE-OE1 3.52Å; R192-E196 PolarHBondContact NE-OE1 2.69Å; R192-E196 IonicContact NH2-OE1 2.71Å; R192-E196 PolarHBondContact NH2-OE1 2.86Å; R192-E196 WeakPolarHBondContact O-CG 3.5Å; R192-E196 PolarHBondContact O-N 2.98Å; R193-E196 PolarHBondContact O-N 3.38Å; R193-E196 VanDerWaalsContact O-N 3.15Å; E196-H199 PolarHBondContact O-N 2.83Å; E196-K200 WeakPolarHBondContact O-CG 3.34Å; E196-K200 PolarHBondContact O-N 3.01Å
197D84.5Confident78.4Confident76 Ų76104.5 Ų104.541%0.40652%0.518SS..Hα-helixtrans-74.5-36177.6-66.2-30.3000112.6R193 H199 K200 C201R193-D197 WeakPolarHBondContact O-CB 3.33Å; R193-D197 PolarHBondContact O-N 3.33Å; D197-H199 VanDerWaalsContact C-N 3.33Å; D197-H199 PolarHBondContact O-N 3.45Å; D197-K200 WeakPolarHBondContact O-CB 3.21Å; D197-K200 PolarHBondContact O-N 2.63Å; D197-K200 IonicContact OD1-NZ 2.8Å; D197-K200 PolarHBondContact OD1-NZ 2.86Å; D197-C201 WeakPolarHBondContact O-CB 3.41Å; D197-C201 PolarHBondContact O-N 3.37Å; D197-C201 PolarHBondContact O-SG 3.33Å; D197-C201 VanDerWaalsContact O-SG 3.33Å
198Y75.9Confident77.1Confident145 Ų145100 Ų10057%0.56950%0.502SS*.Hα-helixtrans-61.6-41.5169.3-178.7-102000111.8R194 C201 K202R194-Y198 WeakPolarHBondContact O-CB 3.3Å; R194-Y198 PolarHBondContact O-N 2.86Å; Y198-C201 PolarHBondContact O-N 3.4Å; Y198-K202 HydrophobicContact CD1-CD 4.24Å; Y198-K202 HydrophobicContact CE1-CD 3.65Å; Y198-K202 HydrophobicContact CE1-CG 4.48Å; Y198-K202 VanDerWaalsContact CZ-CE 3.46Å; Y198-K202 WeakPolarHBondContact O-CB 3.21Å; Y198-K202 PolarHBondContact O-N 3.37Å; Y198-K202 WeakPolarHBondContact OH-CE 3.39Å; Y198-K202 PolarHBondContact OH-NZ 3.45Å
199H71.9Confident75.9Confident121 Ų121104.7 Ų104.756%0.5651%0.512SS*.Hα-helixtrans-66-40.7174.9-172.962.4000111.8A195 E196 D197 K202 I203A195-H199 WeakPolarHBondContact O-CB 3.47Å; A195-H199 PolarHBondContact O-N 2.88Å; E196-H199 PolarHBondContact O-N 2.83Å; D197-H199 VanDerWaalsContact C-N 3.33Å; D197-H199 PolarHBondContact O-N 3.45Å; H199-K202 PolarHBondContact O-N 2.92Å; H199-I203 WeakPolarHBondContact O-CG1 3.37Å; H199-I203 PolarHBondContact O-N 3.23Å
200K69.1Low74.6Confident97 Ų97102.9 Ų102.942%0.42251%0.513SS..Hα-helixtrans-57-54.9170.3-75.4173-159.8156.90110.8E196 D197 K202 I203 R208E196-K200 WeakPolarHBondContact O-CG 3.34Å; E196-K200 PolarHBondContact O-N 3.01Å; D197-K200 WeakPolarHBondContact O-CB 3.21Å; D197-K200 PolarHBondContact O-N 2.63Å; D197-K200 IonicContact OD1-NZ 2.8Å; D197-K200 PolarHBondContact OD1-NZ 2.86Å; K200-K202 PolarHBondContact O-N 2.96Å; K200-I203 PolarHBondContact O-N 3.18Å; K200-I203 VanDerWaalsContact O-N 3.12Å; K200-R208 PolarHBondContact O-NH2 3.48Å
201C68Low73.1Confident116 Ų116103.6 Ų103.678%0.78452%0.519SS*.Hα-helixtrans-63.9-25.2-176.9-67.10000113.4D197 Y198D197-C201 WeakPolarHBondContact O-CB 3.41Å; D197-C201 PolarHBondContact O-N 3.37Å; D197-C201 PolarHBondContact O-SG 3.33Å; D197-C201 VanDerWaalsContact O-SG 3.33Å; Y198-C201 PolarHBondContact O-N 3.4Å
202K71.2Confident71.6Confident135 Ų135101.5 Ų101.559%0.58751%0.513SS*.Hα-helixtrans-78.2-21.7173.5-87.5-168.4160.5-179.30115.6Y198 H199 K200 P204Y198-K202 HydrophobicContact CD1-CD 4.24Å; Y198-K202 HydrophobicContact CE1-CD 3.65Å; Y198-K202 HydrophobicContact CE1-CG 4.48Å; Y198-K202 VanDerWaalsContact CZ-CE 3.46Å; Y198-K202 WeakPolarHBondContact O-CB 3.21Å; Y198-K202 PolarHBondContact O-N 3.37Å; Y198-K202 WeakPolarHBondContact OH-CE 3.39Å; Y198-K202 PolarHBondContact OH-NZ 3.45Å; H199-K202 PolarHBondContact O-N 2.92Å; K200-K202 PolarHBondContact O-N 2.96Å; K202-P204 WeakPolarHBondContact O-CD 3.29Å
203I63.8Low70.5Confident38 Ų3897.6 Ų97.620%0.19551%0.505CS..SBendtrans-95.3111.3176.4-55.4168.1000108.7H199 K200 A207 R208H199-I203 WeakPolarHBondContact O-CG1 3.37Å; H199-I203 PolarHBondContact O-N 3.23Å; K200-I203 PolarHBondContact O-N 3.18Å; K200-I203 VanDerWaalsContact O-N 3.12Å; I203-A207 HydrophobicContact CG2-CB 3.71Å; I203-R208 HydrophobicContact CB-CG 3.98Å; I203-R208 HydrophobicContact CG2-CG 3.45Å; I203-R208 VanDerWaalsContact CG2-CG 3.45Å; I203-R208 PolarHBondContact O-NE 3.05Å
204P69.3Low69.5Low69 Ų6998.1 Ų98.145%0.44851%0.507SS..  trans-59.1147177.923.7-32.3000110.6K202 S206 A207 R208K202-P204 WeakPolarHBondContact O-CD 3.29Å; P204-S206 PolarHBondContact O-N 2.93Å; P204-A207 HydrophobicContact CG-CB 3.97Å; P204-A207 PolarHBondContact O-N 2.89Å; P204-R208 PolarHBondContact O-N 3.34Å
205P63.6Low68.7Low105 Ų10595 Ų9568%0.68251%0.505SS*.Hα-helixtrans-55-31.1-173.9-28.635.7000114.6R208 K209P205-R208 PolarHBondContact O-N 3.47Å; P205-K209 PolarHBondContact O-N 2.9Å; P205-K209 VanDerWaalsContact O-N 3.17Å
206S62Low67.7Low86 Ų86100.5 Ų100.560%0.60151%0.513SS*.Hα-helixtrans-61.1-47.5173.549.10000112.9P204 R208 K209 A210P204-S206 PolarHBondContact O-N 2.93Å; S206-R208 VanDerWaalsContact C-N 3.32Å; S206-R208 PolarHBondContact O-N 3.2Å; S206-K209 PolarHBondContact O-N 3.47Å; S206-A210 PolarHBondContact O-N 3.15Å
207A61.7Low66.8Low36 Ų36102.7 Ų102.730%0.29853%0.525SS..Hα-helixtrans-67.2-31.1179.300000112.5I203 P204 A210 L211I203-A207 HydrophobicContact CG2-CB 3.71Å; P204-A207 HydrophobicContact CG-CB 3.97Å; P204-A207 PolarHBondContact O-N 2.89Å; A207-A210 PolarHBondContact O-N 2.97Å; A207-L211 PolarHBondContact O-N 3.46Å
208R63Low65.4Low101 Ų101100.7 Ų100.738%0.38152%0.519SS..Hα-helixtrans-67.8-40171.1-60.9-159.7-146.6154.115.3112.4K200 I203 P204 P205 S206 L211 C212K200-R208 PolarHBondContact O-NH2 3.48Å; I203-R208 HydrophobicContact CB-CG 3.98Å; I203-R208 HydrophobicContact CG2-CG 3.45Å; I203-R208 VanDerWaalsContact CG2-CG 3.45Å; I203-R208 PolarHBondContact O-NE 3.05Å; P204-R208 PolarHBondContact O-N 3.34Å; P205-R208 PolarHBondContact O-N 3.47Å; S206-R208 VanDerWaalsContact C-N 3.32Å; S206-R208 PolarHBondContact O-N 3.2Å; R208-L211 PolarHBondContact O-N 3.18Å; R208-C212 WeakPolarHBondContact O-CB 3.48Å; R208-C212 PolarHBondContact O-N 3.15Å; R208-C212 PolarHBondContact O-SG 2.96Å
209K64.6Low64.4Low154 Ų15496.4 Ų96.467%0.6751%0.514SS*.Hα-helixtrans-61.6-43.4172.9-84.4-174.9174.9-179.40111.4P205 S206 C212 N213P205-K209 PolarHBondContact O-N 2.9Å; P205-K209 VanDerWaalsContact O-N 3.17Å; S206-K209 PolarHBondContact O-N 3.47Å; K209-C212 PolarHBondContact O-N 3.45Å; K209-N213 WeakPolarHBondContact O-CB 3.48Å; K209-N213 VanDerWaalsContact O-CG 3.25Å; K209-N213 PolarHBondContact O-N 3.32Å
210A63.4Low63.6Low61 Ų6192.4 Ų92.450%0.50450%0.501SS..Hα-helixtrans-59.4-48.4176.200000112.2S206 A207 N213 W214S206-A210 PolarHBondContact O-N 3.15Å; A207-A210 PolarHBondContact O-N 2.97Å; A210-N213 PolarHBondContact O-N 3.45Å; A210-W214 WeakPolarHBondContact O-CB 3.33Å; A210-W214 PolarHBondContact O-N 3.13Å
211L60.9Low62.7Low92 Ų9294.4 Ų94.448%0.48251%0.512SS..Hα-helixtrans-62.6-44.6175.8-82.2163.7000112.9A207 R208 N213 W214 V215A207-L211 PolarHBondContact O-N 3.46Å; R208-L211 PolarHBondContact O-N 3.18Å; L211-N213 VanDerWaalsContact C-N 3.31Å; L211-N213 PolarHBondContact O-N 3Å; L211-W214 HydrophobicContact CD2-CE3 4.47Å; L211-W214 PolarHBondContact O-N 3.12Å; L211-V215 WeakPolarHBondContact O-CB 3.33Å; L211-V215 WeakPolarHBondContact O-CG2 3.41Å; L211-V215 PolarHBondContact O-N 3.25Å
212C61Low61.7Low72 Ų7295.6 Ų95.649%0.48651%0.506SS..Hα-helixtrans-65.6-33.4177.8-72.40000112.8R208 K209 R216R208-C212 WeakPolarHBondContact O-CB 3.48Å; R208-C212 PolarHBondContact O-N 3.15Å; R208-C212 PolarHBondContact O-SG 2.96Å; K209-C212 PolarHBondContact O-N 3.45Å; C212-R216 WeakPolarHBondContact O-CB 3.25Å; C212-R216 PolarHBondContact O-N 3.5Å; C212-R216 VanDerWaalsContact O-N 3.13Å
213N67.1Low60.6Low88 Ų8896.8 Ų96.847%0.47151%0.507SS..Hα-helixtrans-73.2-42.6174.3-73.7-2.3000110.9K209 A210 L211 R216 M217K209-N213 WeakPolarHBondContact O-CB 3.48Å; K209-N213 VanDerWaalsContact O-CG 3.25Å; K209-N213 PolarHBondContact O-N 3.32Å; A210-N213 PolarHBondContact O-N 3.45Å; L211-N213 VanDerWaalsContact C-N 3.31Å; L211-N213 PolarHBondContact O-N 3Å; N213-R216 CarbonylContact O-C 3.58Å; N213-R216 PolarHBondContact O-N 3.42Å; N213-R216 VanDerWaalsContact O-N 3.16Å; N213-M217 WeakPolarHBondContact O-CG 3.42Å; N213-M217 PolarHBondContact O-N 2.91Å
214W67.4Low59.9Low173 Ų173102.9 Ų102.966%0.65553%0.534SS*.Hα-helixtrans-61.2-44.9175.6-179.867.8000112.3A210 L211 R216 M217 A218A210-W214 WeakPolarHBondContact O-CB 3.33Å; A210-W214 PolarHBondContact O-N 3.13Å; L211-W214 HydrophobicContact CD2-CE3 4.47Å; L211-W214 PolarHBondContact O-N 3.12Å; W214-R216 VanDerWaalsContact C-N 3.3Å; W214-R216 PolarHBondContact O-N 3.3Å; W214-M217 PolarHBondContact O-N 2.85Å; W214-A218 WeakPolarHBondContact O-CB 3.43Å; W214-A218 PolarHBondContact O-N 3.42Å
215V69.2Low59Low88 Ų88105.1 Ų105.153%0.53355%0.551SS.*Hα-helixtrans-62.8-36.2173.9171.80000111.6L211 A219L211-V215 WeakPolarHBondContact O-CB 3.33Å; L211-V215 WeakPolarHBondContact O-CG2 3.41Å; L211-V215 PolarHBondContact O-N 3.25Å; V215-A219 VanDerWaalsContact O-CB 3.26Å; V215-A219 WeakPolarHBondContact O-CB 3.35Å; V215-A219 PolarHBondContact O-N 3.46Å
216R64.9Low58.4Low176 Ų176103 Ų10366%0.66454%0.539SS*.Hα-helixtrans-68.4-39.1173.5-113-174-80.6-177-8.7112.9C212 N213 W214 A219 A220C212-R216 WeakPolarHBondContact O-CB 3.25Å; C212-R216 PolarHBondContact O-N 3.5Å; C212-R216 VanDerWaalsContact O-N 3.13Å; N213-R216 CarbonylContact O-C 3.58Å; N213-R216 PolarHBondContact O-N 3.42Å; N213-R216 VanDerWaalsContact O-N 3.16Å; W214-R216 VanDerWaalsContact C-N 3.3Å; W214-R216 PolarHBondContact O-N 3.3Å; R216-A219 PolarHBondContact O-N 3.09Å; R216-A220 WeakPolarHBondContact O-CB 3.48Å; R216-A220 PolarHBondContact O-N 3.32Å
217M59.5Low57.7Low127 Ų127103.2 Ų103.263%0.62656%0.555SS**Hα-helixtrans-66.2-49.1176.4-72.9-58.9-62.100110.9N213 W214 A219 A220 E221N213-M217 WeakPolarHBondContact O-CG 3.42Å; N213-M217 PolarHBondContact O-N 2.91Å; W214-M217 PolarHBondContact O-N 2.85Å; M217-A219 VanDerWaalsContact C-N 3.27Å; M217-A219 PolarHBondContact O-N 2.84Å; M217-A220 CarbonylContact O-C 3.56Å; M217-A220 WeakPolarHBondContact O-CA 3.45Å; M217-A220 WeakPolarHBondContact O-CB 3.48Å; M217-A220 PolarHBondContact O-N 3.02Å; M217-E221 WeakPolarHBondContact O-CB 3.2Å; M217-E221 PolarHBondContact O-N 2.97Å
218A55.7Low56.8Low34 Ų34108.2 Ų108.228%0.28158%0.576SS.*Hα-helixtrans-59.9-36.5175.800000112.5W214 H222W214-A218 WeakPolarHBondContact O-CB 3.43Å; W214-A218 PolarHBondContact O-N 3.42Å; A218-H222 PolarHBondContact O-CD2 3.48Å; A218-H222 PolarHBondContact O-N 3.14Å; A218-H222 VanDerWaalsContact O-N 3.08Å
219A54.2Low55.8Low55 Ų55108.6 Ų108.646%0.45559%0.591SS.*Hα-helixtrans-71.4-28.3173.600000113.6V215 R216 M217 R223V215-A219 VanDerWaalsContact O-CB 3.26Å; V215-A219 WeakPolarHBondContact O-CB 3.35Å; V215-A219 PolarHBondContact O-N 3.46Å; R216-A219 PolarHBondContact O-N 3.09Å; M217-A219 VanDerWaalsContact C-N 3.27Å; M217-A219 PolarHBondContact O-N 2.84Å; A219-R223 WeakPolarHBondContact O-CG 3.41Å
220A55.7Low54.4Low37 Ų37109 Ų10931%0.30659%0.59SS.*Hα-helixtrans-78.1-39173.100000111.8R216 M217 H222 R223 H224R216-A220 WeakPolarHBondContact O-CB 3.48Å; R216-A220 PolarHBondContact O-N 3.32Å; M217-A220 CarbonylContact O-C 3.56Å; M217-A220 WeakPolarHBondContact O-CA 3.45Å; M217-A220 WeakPolarHBondContact O-CB 3.48Å; M217-A220 PolarHBondContact O-N 3.02Å; A220-H222 VanDerWaalsContact C-N 3.32Å; A220-H222 PolarHBondContact O-N 2.73Å; A220-R223 WeakPolarHBondContact O-CA 3.3Å; A220-R223 VanDerWaalsContact O-CB 3.29Å; A220-R223 WeakPolarHBondContact O-CB 3.44Å; A220-R223 PolarHBondContact O-N 2.86Å; A220-H224 PolarHBondContact O-CD2 3.45Å
221E51.1Low53.3Low140 Ų140117 Ų11765%0.65461%0.607SS**Hα-helixtrans-61.9-40.2175.5-163.8165.1-163.100111M217 R223 H224M217-E221 WeakPolarHBondContact O-CB 3.2Å; M217-E221 PolarHBondContact O-N 2.97Å; E221-R223 PolarHBondContact O-N 3.29Å; E221-H224 PolarHBondContact O-N 3Å
222H45.9Very low52.9Low140 Ų140115.9 Ų115.965%0.64861%0.605SS**Hα-helixtrans-60.7-22.9169.1-99.1-72.4000114.9A218 A220 S226A218-H222 PolarHBondContact O-CD2 3.48Å; A218-H222 PolarHBondContact O-N 3.14Å; A218-H222 VanDerWaalsContact O-N 3.08Å; A220-H222 VanDerWaalsContact C-N 3.32Å; A220-H222 PolarHBondContact O-N 2.73Å; H222-S226 PolarHBondContact O-OG 2.83Å
223R48Very low51.8Low161 Ų161123 Ų12361%0.60862%0.624SS**Hα-helixtrans-81-14.3177.5-72.6174.2168.4-176.6-5.9113.8A219 A220 E221A219-R223 WeakPolarHBondContact O-CG 3.41Å; A220-R223 WeakPolarHBondContact O-CA 3.3Å; A220-R223 VanDerWaalsContact O-CB 3.29Å; A220-R223 WeakPolarHBondContact O-CB 3.44Å; A220-R223 PolarHBondContact O-N 2.86Å; E221-R223 PolarHBondContact O-N 3.29Å
224H48.5Very low50.7Low166 Ų166124.7 Ų124.777%0.76963%0.632SS**Hα-helixtrans-97.3-19.6179.2-64.5-62.9000113.3A220 E221A220-H224 PolarHBondContact O-CD2 3.45Å; E221-H224 PolarHBondContact O-N 3Å
225S50.8Low49.8Very low115 Ų115120.7 Ų120.780%0.80463%0.627SS**SBendtrans-107.72.4179.9-61.40000115.1
226S51.3Low48.7Very low60 Ų60120.4 Ų120.442%0.4263%0.634SS.*  trans-130.3101.4170.860.10000111.3H222 L228H222-S226 PolarHBondContact O-OG 2.83Å; S226-L228 PolarHBondContact O-N 2.98Å
227G48.4Very low47.9Very low91 Ų91118.9 Ų118.994%0.93863%0.634SS**  trans-72.645.4177.300000113.7
228L41.1Very low47.1Very low141 Ų141116.8 Ų116.874%0.73863%0.629SS**SBendtrans-110.8137.2178.6-72.6173.1000110S226 Y230S226-L228 PolarHBondContact O-N 2.98Å; L228-Y230 PolarHBondContact O-N 3.27Å
229P42.6Very low46.6Very low109 Ų109120.2 Ų120.271%0.70864%0.642SS**  trans-64.2122.317925.7-33.1000110.7W231P229-W231 PolarHBondContact O-N 2.88Å; P229-W231 VanDerWaalsContact O-N 3.1Å
230Y36.3Very low46.3Very low162 Ų162125.8 Ų125.864%0.63566%0.656SS**  trans-65.2106.2176.1171-107.3000110.5L228 P232L228-Y230 PolarHBondContact O-N 3.27Å; Y230-P232 HydrophobicContact CD1-CB 4.46Å; Y230-P232 HydrophobicContact CD1-CG 4.03Å; Y230-P232 HydrophobicContact CE1-CB 3.7Å; Y230-P232 HydrophobicContact CE1-CG 3.7Å; Y230-P232 WeakPolarHBondContact O-CD 3.26Å
231W40.7Very low45.7Very low229 Ų229130.1 Ų130.187%0.86767%0.674SS**  trans-80112.4163.3-85.790.2000109.3P229 Y233P229-W231 PolarHBondContact O-N 2.88Å; P229-W231 VanDerWaalsContact O-N 3.1Å; W231-Y233 PolarHBondContact O-N 3.24Å
232P50.6Low45.5Very low69 Ų69133.4 Ų133.445%0.44868%0.68SS.*  trans-73.2115.3172.9-0.818000108Y230 L234Y230-P232 HydrophobicContact CD1-CB 4.46Å; Y230-P232 HydrophobicContact CD1-CG 4.03Å; Y230-P232 HydrophobicContact CE1-CB 3.7Å; Y230-P232 HydrophobicContact CE1-CG 3.7Å; Y230-P232 WeakPolarHBondContact O-CD 3.26Å; P232-L234 PolarHBondContact O-N 2.96Å; P232-L234 VanDerWaalsContact O-N 3.12Å
233Y38.1Very low45.4Very low223 Ų223135 Ų13588%0.87569%0.69SS**  trans-55.2118.3159.9-122.8-93.5000107.5W231 T235W231-Y233 PolarHBondContact O-N 3.24Å; Y233-T235 PolarHBondContact O-N 3.31Å
234L44.3Very low45.4Very low122 Ų122130.3 Ų130.364%0.63969%0.692SS**  trans-59108.4173.7-89.981.4000108.2P232P232-L234 PolarHBondContact O-N 2.96Å; P232-L234 VanDerWaalsContact O-N 3.12Å
235T49.8Very low45.1Very low89 Ų89130.3 Ų130.355%0.54669%0.692SS.*  trans-67.6141.8168.545.60000108.6Y233 E237 T238Y233-T235 PolarHBondContact O-N 3.31Å; T235-E237 PolarHBondContact O-N 3.12Å; T235-T238 PolarHBondContact O-N 2.84Å; T235-T238 PolarHBondContact O-OG1 3.03Å
236A44.5Very low44.6Very low83 Ų83133.6 Ų133.669%0.68669%0.694SS**Hα-helixtrans-58.5-21.6-175.400000113.5T238 L239 K240A236-T238 VanDerWaalsContact C-N 3.33Å; A236-T238 PolarHBondContact O-N 3.21Å; A236-L239 PolarHBondContact O-N 3.49Å; A236-K240 PolarHBondContact O-N 3.41Å
237E48Very low44.1Very low143 Ų143136 Ų13667%0.66871%0.708SS**Hα-helixtrans-50-46.7168.5-124.675.8-13700112.8T235 L239 K240T235-E237 PolarHBondContact O-N 3.12Å; E237-L239 VanDerWaalsContact C-N 3.34Å; E237-L239 PolarHBondContact O-N 3.48Å; E237-K240 PolarHBondContact O-N 2.94Å
238T43.2Very low44Very low83 Ų83137.2 Ų137.251%0.50970%0.7SS.*Hα-helixtrans-72.4-29.9-174.3-36.40000112.3T235 A236T235-T238 PolarHBondContact O-N 2.84Å; T235-T238 PolarHBondContact O-OG1 3.03Å; A236-T238 VanDerWaalsContact C-N 3.33Å; A236-T238 PolarHBondContact O-N 3.21Å
239L44.6Very low43.9Very low107 Ų107135.8 Ų135.856%0.5670%0.699SS**Hα-helixtrans-75.7-32.8179.9-148.5153.4000110.9A236 E237 N241 R242A236-L239 PolarHBondContact O-N 3.49Å; E237-L239 VanDerWaalsContact C-N 3.34Å; E237-L239 PolarHBondContact O-N 3.48Å; L239-N241 VanDerWaalsContact C-N 3.35Å; L239-N241 PolarHBondContact O-N 3.45Å; L239-R242 PolarHBondContact O-N 3.28Å
240K48.1Very low43.5Very low171 Ų171136.7 Ų136.774%0.74371%0.705SS**Hα-helixtrans-62.8-37.9176.7-127.9-178.9179.3-172.50113.3A236 E237 R242A236-K240 PolarHBondContact O-N 3.41Å; E237-K240 PolarHBondContact O-N 2.94Å; K240-R242 VanDerWaalsContact C-N 3.27Å; K240-R242 PolarHBondContact O-N 3.24Å
241N44.5Very low43.4Very low129 Ų129135.8 Ų135.869%0.6972%0.716SS**THydrogen-bonded Turntrans-79.3-6.6-179.7-64.8-14.1000113.6L239L239-N241 VanDerWaalsContact C-N 3.35Å; L239-N241 PolarHBondContact O-N 3.45Å
242R46.9Very low42.9Very low209 Ų209132.7 Ų132.779%0.78971%0.711SS**THydrogen-bonded Turntrans-99-6.4-178.4-137.5175.6-1711742.3114.1L239 K240 G244L239-R242 PolarHBondContact O-N 3.28Å; K240-R242 VanDerWaalsContact C-N 3.27Å; K240-R242 PolarHBondContact O-N 3.24Å; R242-G244 VanDerWaalsContact C-N 3.3Å; R242-G244 PolarHBondContact O-N 3.27Å
243M43.1Very low41.9Very low173 Ų173137.1 Ų137.185%0.85273%0.726SS**THydrogen-bonded Turntrans-81.1-5.7179.2-14783.8-161.400113.8
244G47.2Very low41.3Very low62 Ų62135 Ų13564%0.63972%0.724SS**THydrogen-bonded Turntrans-109.2-1.7-171.600000116.4R242R242-G244 VanDerWaalsContact C-N 3.3Å; R242-G244 PolarHBondContact O-N 3.27Å
245H44.1Very low40.6Very low166 Ų166135 Ų13577%0.76973%0.734SS**  trans-129123.7-176.8-69.1-55.7000112.4
246Q38.8Very low39.8Very low185 Ų185137.4 Ų137.486%0.86474%0.742SS**PPolyproline II helixtrans-65139174.3-169.1-178.323.200110.3
247P42.3Very low39.1Very low110 Ų110138.8 Ų138.871%0.71474%0.742SS**PPolyproline II helixtrans-71.4141.5173.629.5-33.7000110.9
248P45Very low38.2Very low117 Ų117137.6 Ų137.676%0.7674%0.741SS**PPolyproline II helixtrans-72.2155175.330.7-34.8000111.9
249P39.5Very low37.5Very low110 Ų110140 Ų14071%0.71475%0.75SS**PPolyproline II helixtrans-73157.8179.631.3-35.7000112.5T251P249-T251 PolarHBondContact O-N 3.46Å
250P34.6Very low36.8Very low128 Ų128139.3 Ų139.383%0.83175%0.754SS**PPolyproline II helixtrans-77.1122.7-179.230.8-33.7000112.1
251T33.9Very low35.8Very low143 Ų143138.5 Ų138.588%0.87776%0.757SS**PPolyproline II helixtrans-81142.1171.9-37.10000110.7P249P249-T251 PolarHBondContact O-N 3.46Å
252Q29.5Very low35Very low164 Ų164137.5 Ų137.577%0.76676%0.761SS**PPolyproline II helixtrans-76.9148.7-176.3-62.9-173.423.300113.7
253Q30.1Very low34.1Very low162 Ų162135 Ų13576%0.75776%0.762SS**  trans28.1131144-60.7-176.4-1200120.4
254H26.1Very low33.4Very low180 Ų180136.1 Ų136.183%0.83376%0.762SS**  -152.5111.6125.1-93.2-74.1000109.9
255S29.5Very low32.5Very low120 Ų120139.4 Ų139.484%0.83977%0.77SS**  trans-144.9107.2164.159.70000109.3
256I32.2Very low32.5Very low140 Ų140136.9 Ų136.972%0.71877%0.768SS**  trans-123.5132.3175.9-58.3172.4000102.2
257T29.3Very low32.5Very low113 Ų113133.2 Ų133.269%0.69376%0.76SS**  cis-144.3-177.521-5.10000107.4
258D29.7Very low31.8Very low118 Ų118136.3 Ų136.363%0.63177%0.766SS**  cis-166.3156.219.6-128.4-36.4000112.4
259N27.9Very low30.9Very low132 Ų132136.3 Ų136.371%0.70677%0.767SS**  trans58143.5153.7-63.4-49.9000122.6
260S30.4Very low30.3Very low94 Ų94139 Ų13966%0.65777%0.774SS**  cis-172.6145.3-28.7-115.70000111.1
261L27.5Very low30.2Very low153 Ų153140.8 Ų140.880%0.80178%0.776SS**  trans58.4103.5153.6-74151000121.9
262S27.9Very low29.9Very low109 Ų109140.3 Ų140.376%0.76277%0.773SS**  177.9114.1110.7-800000115.2
263L28.2Very low30.1Very low156 Ų156138.2 Ų138.282%0.81777%0.774SS**  26.4132.4129.8-56.1167.1000118.3
264K27.6Very low30.3Very low196 Ų196138.3 Ų138.385%0.85278%0.779SS**  cis-165170.640-130.2169.3-177.9179.50112.8
265T27.5Very low30.8Very low132 Ų132134.9 Ų134.981%0.8177%0.772SS**  trans-56.4167.5-166.623.80000122.2
266P44Very low31.2Very low112 Ų112135.1 Ų135.173%0.72777%0.771SS**  trans-99.9-169.7-177.742.7-36.4000114.4
267P39.1Very low31Very low108 Ų108134 Ų13470%0.70178%0.776SS**  -150.5156.9106.239.7-22.8000118.7
268E28.1Very low31.1Very low176 Ų176132.4 Ų132.482%0.82277%0.774SS**  trans41.2118.3137.6-60.5165.7178.600120.7
269C26.3Very low31Very low117 Ų117134 Ų13479%0.79178%0.782SS**  60.4120.770.9-72.10000115.6
270L26.4Very low31.2Very low165 Ų165134.2 Ų134.286%0.86478%0.784SS**  -177.2134.4111.4-92.9-174.6000112.9
271L32.6Very low31.1Very low166 Ų166135.8 Ų135.887%0.86979%0.785SS**  trans-86.6146.7162.3-91.9149.3000109.4
272T27.8Very low31.2Very low133 Ų133135.1 Ų135.182%0.81678%0.781SS**  trans-150.4158.3162.324.20000111.5
273P34.6Very low31.2Very low121 Ų121139.2 Ų139.279%0.78679%0.785SS**  trans-125.6-178.5-141.238.5-21.9000116
274L33.9Very low31.1Very low164 Ų164137.9 Ų137.986%0.85978%0.784SS**  trans-75.7147.9173.1-177.272.7000112.7
275P35.9Very low31.7Very low107 Ų107134.1 Ų134.170%0.69578%0.779SS**  trans-107.2161.1161.936.9-29.8000114.6
276P39Very low32.2Very low125 Ų125133.7 Ų133.781%0.81278%0.779SS**  trans-123.8171.7-160.742.9-29.9000116.6
277S26.9Very low31.5Very low118 Ų118136.8 Ų136.883%0.82578%0.783SS**  trans-174.6122.2146.6-124.30000109.4
278A31.1Very low30.9Very low78 Ų78138.1 Ų138.165%0.64579%0.794SS**  70.1132.890.800000113.9
279D27.6Very low30.9Very low152 Ų152135.9 Ų135.981%0.81379%0.792SS**  cis-153.8148.50.9-98.3-29.2000112.6
280D32.4Very low31Very low137 Ų137138 Ų13873%0.73380%0.795SS**  trans33.3132.1141.4-89.96.5000126.8
281N29.1Very low31Very low127 Ų127136.2 Ų136.268%0.67979%0.791SS**  trans93.3124.2131.3-88.4-59.7000124.7
282L28.4Very low31Very low139 Ų139133.6 Ų133.673%0.72878%0.784SS**  trans85.5114.7148.2-61168.6000123.8
283K28.2Very low31.2Very low194 Ų194135.1 Ų135.184%0.84379%0.786SS**  trans67.7121.3141.2-73.5171.7176.2168.70122.4
284T26.5Very low31.1Very low129 Ų129134.5 Ų134.579%0.79178%0.782SS**  trans-54.1167.5153.845.60000114.4
285P39.5Very low31.1Very low116 Ų116132.7 Ų132.775%0.75378%0.78SS**  cis-122.5-150.14.135.6-12.7000110.1
286P39.1Very low30.8Very low124 Ų124133.6 Ų133.681%0.80579%0.789SS**  cis-134.2-121.4-1.442.6-20.9000115.4
287E30Very low30.4Very low176 Ų176131.2 Ų131.282%0.82278%0.779SS**  trans-113.6147.9-164.3-58.4173.8149.400112.7
288C26.5Very low30.5Very low136 Ų136133.2 Ų133.292%0.91978%0.781SS**  trans-137.7128.6159.4-900000110.6
289V26.3Very low30.6Very low130 Ų130135.6 Ų135.679%0.78878%0.783SS**PPolyproline II helixtrans-87.9142.1-172.8173.90000110.8
290L28.3Very low30.8Very low162 Ų162135.2 Ų135.285%0.84878%0.781SS**PPolyproline II helixtrans-83119.7177.2-153.7127.3000110.3
291T28.3Very low30.7Very low126 Ų126135.8 Ų135.877%0.77378%0.783SS**PPolyproline II helixtrans-102131.1175.9-49.80000110.4
292P32.7Very low30.8Very low112 Ų112139.3 Ų139.373%0.72779%0.793SS**PPolyproline II helixtrans-87.2163-173.333.9-36.2000115.4
293L30.7Very low30.8Very low165 Ų165139.1 Ų139.186%0.86480%0.797SS**PPolyproline II helixtrans-70.2147.6178.5-166.871.7000112.8
294P33.8Very low30.9Very low107 Ų107135.6 Ų135.670%0.69579%0.794SS**PPolyproline II helixtrans-79.8154.4-175.731.6-36.5000114.7
295P33.1Very low31.4Very low127 Ų127135.3 Ų135.383%0.82579%0.794SS**PPolyproline II helixtrans-83.2146.9175.933.9-34.3000113.1
296S29Very low31Very low126 Ų126138.5 Ų138.588%0.88180%0.799SS**PPolyproline II helixtrans-76.2154.2173-165.30000112
297A30.8Very low30.5Very low74 Ų74139 Ų13961%0.61280%0.804SS**PPolyproline II helixtrans-79.4156.2-17700000112.9
298D29.6Very low30.4Very low160 Ų160136.9 Ų136.986%0.85680%0.803SS**  -166143.7115.7-95.4-15.4000112.2
299D34Very low30.4Very low129 Ų129138.4 Ų138.469%0.6980%0.801SS**  trans-63.1148.3-159.9-58.9-51.7000118.3
300N30.3Very low30.6Very low144 Ų144137.9 Ų137.977%0.7780%0.798SS**  176.3148.696-101.2-75.3000117
301L30.9Very low30.6Very low148 Ų148136 Ų13678%0.77580%0.796SS**  trans79.177.2158.6-63.9168.1000121.7
302K30.7Very low30.7Very low202 Ų202138 Ų13888%0.87880%0.801SS**  53.8111.1124.1-86.3173.8173.2168.70121.9
303T28.6Very low30.7Very low134 Ų134137.8 Ų137.882%0.82280%0.8SS**  trans-139.5139147.3-36.10000108.9
304P30.5Very low31.2Very low120 Ų120136.3 Ų136.378%0.77980%0.8SS**PPolyproline II helixtrans-80167.617932.2-34.8000113.8
305P38Very low30.9Very low123 Ų123136.9 Ų136.980%0.79981%0.807SS**PPolyproline II helixtrans-102.9169.3-136.139-39.2000117.5
306E30.2Very low31Very low183 Ų183134.3 Ų134.386%0.85580%0.796SS**PPolyproline II helixtrans-78.8149.6169.1-58.3-175.9148.800112.3
307C27.6Very low31.1Very low135 Ų135135.3 Ų135.391%0.91279%0.791SS**PPolyproline II helixtrans-99.5127.8166.7-740000110.5
308V28.4Very low31.2Very low132 Ų132138.4 Ų138.480%0.880%0.798SS**PPolyproline II helixtrans-96.9146.4176.3177.60000109.9
309L27Very low31.5Very low168 Ų168137.3 Ų137.388%0.8879%0.792SS**  trans-140.5143.1161.2-112.6169.2000112.3
310T29.6Very low31.4Very low118 Ų118138.7 Ų138.772%0.72480%0.799SS**  trans-89.9150-159.4-36.90000113.1
311P29.2Very low31.5Very low122 Ų122141.2 Ų141.279%0.79280%0.803SS**  trans-81.7153.4169.933.2-35.1000113.2
312L29.8Very low32.1Very low168 Ų168141 Ų14188%0.8881%0.808SS**  trans-120.8146.4178.7-16667.4000109.8
313P33.7Very low32.2Very low109 Ų109136.6 Ų136.671%0.70880%0.799SS**  trans-77.4169.3-170.230.7-36.8000114.7
314P39.8Very low32.6Very low133 Ų133135.6 Ų135.686%0.86480%0.795SS**  trans-83.2150.6-171.633.8-35.7000113.6
315S28.3Very low32.7Very low120 Ų120138.4 Ų138.484%0.83980%0.798SS**  trans-122.8142.3163.2-171.10000109.6
316A34.9Very low32.2Very low73 Ų73138.5 Ų138.560%0.60380%0.8SS**  trans-81.3164173.200000111.5
317D30.6Very low32Very low146 Ų146136.7 Ų136.778%0.78180%0.796SS**  trans37.7122.1157.4-50.3-36.7000117.5
318D34.2Very low32Very low140 Ų140138.8 Ų138.875%0.74980%0.797SS**  -167.3167.763.9-129.8-42.5000114.5
319N34.8Very low32.2Very low136 Ų136138.4 Ų138.473%0.72780%0.795SS**  trans-24.6147.8178.6-78.3-90.5000122.5
320L32.9Very low32.3Very low159 Ų159136 Ų13683%0.83279%0.789SS**  trans113.9125.7151.1-60.3179.1000119.6
321K31.8Very low32.5Very low197 Ų197138.3 Ų138.386%0.85780%0.796SS**  trans68.6104.8157.2-78174175.81710120.2
322T42.5Very low32.7Very low143 Ų143137.5 Ų137.588%0.87779%0.791SS**PPolyproline II helixtrans-48.8128.5154.2-21.90000112.8
323P34.7Very low32.8Very low109 Ų109135.3 Ų135.371%0.70879%0.787SS**PPolyproline II helixtrans-93.2162.1160.934.5-29.2000111.6
324P36.8Very low32.5Very low113 Ų113136 Ų13673%0.73480%0.795SS**PPolyproline II helixtrans-92.5159.2-147.834.7-37.6000116.2C326P324-C326 PolarHBondContact O-N 3.25Å
325E32.2Very low32.1Very low179 Ų179133.3 Ų133.384%0.83678%0.783SS**  trans-65.3111.8161.3-63.2-175.5147.900109.9L327E325-L327 PolarHBondContact O-N 3.32Å
326C26.7Very low32Very low126 Ų126134.7 Ų134.785%0.85178%0.781SS**  trans-73.595.4172.7-770000110.8P324 L328P324-C326 PolarHBondContact O-N 3.25Å; C326-L328 PolarHBondContact O-N 3Å
327L26.7Very low31.9Very low145 Ų145137.5 Ų137.576%0.75979%0.786SS**  trans-55122164.9-59.1172.6000110.3E325 T329E325-L327 PolarHBondContact O-N 3.32Å; L327-T329 PolarHBondContact O-N 3.35Å
328L28Very low32Very low179 Ų179135.9 Ų135.994%0.93778%0.777SS**  trans-87.393.7159.7-87171.5000108.7C326C326-L328 PolarHBondContact O-N 3Å
329T31.6Very low31.8Very low123 Ų123135.5 Ų135.576%0.75578%0.775SS**PPolyproline II helixtrans-63.3134173.6-13.80000110.4L327L327-T329 PolarHBondContact O-N 3.35Å
330P30.5Very low31.6Very low118 Ų118137.4 Ų137.477%0.76678%0.777SS**PPolyproline II helixtrans-72.7149.5173.829.1-33.1000111.9
331L31.8Very low31.4Very low166 Ų166136 Ų13687%0.86978%0.775SS**PPolyproline II helixtrans-63140.8177.9-165.772.3000111
332P34.1Very low32.1Very low105 Ų105131.9 Ų131.968%0.68277%0.768SS**PPolyproline II helixtrans-69.1154.1-177.227.8-35.6000113.2
333P31.6Very low31.7Very low123 Ų123130.9 Ų130.980%0.79976%0.764SS**PPolyproline II helixtrans-79.1140.2-17832.3-34.4000112
334S27.8Very low31.7Very low124 Ų124134.3 Ų134.387%0.86777%0.771SS**PPolyproline II helixtrans-73.7126.4157.6-167.70000108.4
335A31.6Very low31.1Very low75 Ų75134.3 Ų134.362%0.6277%0.772SS**  trans-78.2-176.7164.200000110.4
336D26.6Very low30.8Very low149 Ų149133.8 Ų133.880%0.79777%0.774SS**  trans69.7110-175.1-51.9-13.8000113.2
337D32.6Very low31Very low133 Ų133135.8 Ų135.871%0.71178%0.775SS**SBendcis-155.9150.19.4-137.3-15.9000116.8
338N32.3Very low31Very low111 Ų111135.7 Ų135.759%0.59478%0.781SS**  trans63.599.7162.6-70.2-66.4000122.9
339L30.4Very low31.6Very low132 Ų132132.5 Ų132.569%0.69177%0.771SS**  50.8135.5115.5-56.8179.4000119.3
340K29.9Very low31.3Very low177 Ų177134.8 Ų134.877%0.7778%0.778SS**  cis-157.7172.611.4-136.9153.8-174.1160.90112.5
341T28.4Very low31.5Very low128 Ų128134 Ų13479%0.78577%0.773SS**  trans-74168.1-163.118.10000117.4
342P47.7Very low31.6Very low111 Ų111132.3 Ų132.372%0.72177%0.772SS**  trans-85.1-175.7-176.439-38.4000112.8
343P34.3Very low31.4Very low123 Ų123133 Ų13380%0.79978%0.779SS**  -147.7176104.539.3-23.8000115.9
344E34.4Very low31.4Very low180 Ų180131.6 Ų131.684%0.84178%0.778SS**  trans-63.9146.6164.6-51.3-177.8135.700111.7
345C24Very low31.8Very low113 Ų113133.6 Ų133.676%0.76478%0.778SS**  trans179.7130.2136.1-98.60000115.2
346L24.9Very low31.9Very low169 Ų169135.7 Ų135.789%0.88579%0.785SS**  trans67.2149.5140.2-55.5-179.5000122.9
347L31.6Very low32.1Very low167 Ų167134.4 Ų134.487%0.87479%0.788SS**  trans-75.4133.7177.4-77.5148.5000113.2
348T27.3Very low32.3Very low144 Ų144132.5 Ų132.588%0.88379%0.791SS**  trans-167.6146.5133.53.50000111.5
349P39.5Very low32.7Very low112 Ų112133 Ų13373%0.72780%0.8SS**  trans-106.6143.4-179.837.6-29.9000113.5
350L26.1Very low33.3Very low171 Ų171132.1 Ų132.190%0.89580%0.802SS**  trans-162.1177.1159.4-134.673.8000111.2
351P35.5Very low33.3Very low101 Ų101129.2 Ų129.266%0.65680%0.804SS**  -107.6174.2-10839.7-26000114.7
352P33.1Very low33.6Very low130 Ų130127.2 Ų127.284%0.84480%0.801SS**  trans-85135.4179.433.3-34000113.9
353S30.4Very low32.8Very low119 Ų119128.8 Ų128.883%0.83280%0.803SS**  trans-142.9154.3168.7-67.40000108.3
354A30.7Very low32.9Very low94 Ų94130.1 Ų130.178%0.77780%0.803SS**  cis-158.7155-26.200000106.3
355L35.9Very low32.8Very low166 Ų166129.1 Ų129.187%0.86980%0.804SS**PPolyproline II helixtrans-82.9135.7-176.2-161.476.1000111.1
356P35.2Very low33.2Very low119 Ų119131.2 Ų131.277%0.77381%0.807SS**PPolyproline II helixtrans-80146.5175.731.4-33.5000112.9
357S30.7Very low33.5Very low122 Ų122132 Ų13285%0.85380%0.803SS**PPolyproline II helixtrans-89.3166.8-170-58.70000115.4
358A36.6Very low33.4Very low93 Ų93129 Ų12977%0.76979%0.792SS**  trans-73.3177.7179.300000115
359P40.3Very low33.4Very low121 Ų121132.8 Ų132.879%0.78679%0.79SS**  -144.8-174.8123.242.2-27.6000113
360P43.6Very low32.8Very low114 Ų114131.2 Ų131.274%0.7479%0.786SS**  -136.2159.1-62.440.5-25.4000115.8
361S30.1Very low32.9Very low117 Ų117131.3 Ų131.382%0.81878%0.782SS**  trans41.2123.3138-161.30000123.5
362A32.9Very low32.4Very low86 Ų86132.7 Ų132.771%0.71179%0.793SS**  -156.2124.5125.500000112.2
363D32.3Very low32.4Very low143 Ų143134 Ų13477%0.76579%0.792SS**  trans70.487.1143.6-49.1-17.1000122.4
364D35.1Very low32.4Very low151 Ų151136.1 Ų136.181%0.80779%0.793SS**  19.8123.4128.7-68.6-42.6000121.6
365N32.1Very low32.6Very low159 Ų159139.2 Ų139.285%0.8579%0.791SS**  -156.9135.8121.2-119.6-89.3000114.9
366L34.1Very low32.6Very low158 Ų158137 Ų13783%0.82779%0.786SS**  trans58.584.3155.9-143.264.1000121.5
367K30.6Very low32.6Very low184 Ų184139 Ų13980%0.879%0.79SS**  trans-39.1147.9142.2-135.9166.3178.2168.10111.2
368T29.6Very low33.1Very low106 Ų106138.2 Ų138.265%0.6578%0.782SS**  cis-174.7155.943.4-40.50000111.1
369R26.3Very low33.3Very low222 Ų222140 Ų14084%0.83879%0.786SS**  trans40.6123.1154.7-82.1179.1151.6155.3-7.4120.1
370A27.4Very low33Very low79 Ų79140 Ų14065%0.65379%0.788SS**  80.8141.962.400000115
371E29.3Very low32.6Very low174 Ų174142.4 Ų142.481%0.81379%0.794SS**  trans63.8110.1169.1-64.6168.7-144.200117.1
372C25.1Very low33.3Very low130 Ų130142.3 Ų142.388%0.87879%0.791SS**  -165.1144.9108.6-97.30000113.4
373L31.7Very low33.8Very low156 Ų156146.9 Ų146.982%0.81780%0.798SS**  trans-67.2146.3165.9-64.2160.3000109.6
374L31.2Very low34.2Very low164 Ų164146.1 Ų146.186%0.85980%0.8SS**  trans-142.976.9162.1-120.4158000111
375H34.7Very low34.5Very low159 Ų159148.4 Ų148.474%0.73680%0.803SS**PPolyproline II helixtrans-66.3134.1152.9-91.7-99.4000109
376P35.1Very low34.9Very low119 Ų119152.7 Ų152.777%0.77381%0.807SS**PPolyproline II helixtrans-69.7130.5159.4-16.831.8000110.3
377L35Very low35.1Very low162 Ų162157 Ų15785%0.84881%0.813SS**PPolyproline II helixtrans-74.5160.3170.8-11786.2000111.3
378P42.1Very low35.5Very low105 Ų105159.3 Ų159.368%0.68282%0.816SS**PPolyproline II helixtrans-79.7162.8179.234.7-34.2000112.6
379P40.2Very low36Very low132 Ų132162 Ų16286%0.85783%0.826SS**PPolyproline II helixtrans-68.5143.417628.7-34.7000112.6
380S34.2Very low36.8Very low119 Ų119160.5 Ų160.583%0.83285%0.85SS**PPolyproline II helixtrans-79.5142.3-176.9430000114
381L35.7Very low37.3Very low165 Ų165164.6 Ų164.686%0.86486%0.86SS**PPolyproline II helixtrans-84.2152.7160.8-13897.2000109
382P44.8Very low37.7Very low115 Ų115164.1 Ų164.175%0.74786%0.862SS**PPolyproline II helixtrans-84.9152.7-170.133.2-31.7000113.9
383E42.9Very low38.4Very low183 Ų183166 Ų16686%0.85586%0.861SS**PPolyproline II helixtrans-68142.8177.5-65.3-173.1127.700113.9
384P41.4Very low38.8Very low126 Ų126166.6 Ų166.682%0.81886%0.864SS**PPolyproline II helixtrans-88.1128.4152.832.5-27.5000111.2
385K40.6Very low39.3Very low200 Ų200166.8 Ų166.887%0.8786%0.864SS**PPolyproline II helixtrans-59.6142.2-178.3-68.9172.2177.2172.80113.2R387K385-R387 PolarHBondContact O-N 3.39Å
386R41.4Very low39.6Very low249 Ų249167.3 Ų167.394%0.9487%0.872SS**PPolyproline II helixtrans-47.3133.4164.5-74.6-179.4173.2-178.4-2.8111.7
387R37.5Very low39.9Very low249 Ų249170.7 Ų170.794%0.9488%0.88SS**  trans-121.2138.3149.6-86-171.3171.4-176.4-1.8110.2K385K385-R387 PolarHBondContact O-N 3.39Å
388R39.6Very low40.3Very low231 Ų231171.4 Ų171.487%0.87288%0.882SS**  trans-64177.1-173.5-68.4176.6166.4-140.40.5114.6
389L39.3Very low40.2Very low162 Ų162176.9 Ų176.985%0.84890%0.899SS**  trans89.2134.1163.4-56149.1000112.1
390S44.3Very low40.2Very low192 Ų192181 Ų181100%1.34390%0.902SS**  cis-127.1017.6-48.40000112.5

Retrieved 390 of 390 residues in 243.6 ms (Link to these results)