A0A087XBQ1_POEFO Loading...

Calponin

Thin filament-associated protein that is implicated in the regulation and modulation of smooth muscle contraction. It is capable of binding to actin, calmodulin and tropomyosin. The interaction of calponin with actin inhibits the actomyosin Mg-ATPase activity.

AlphaFold DB , UniProt , Accession A0A087XBQ1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 298 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.6Very low56.1Low238 Ų238139.9 Ų139.9100%1.17275%0.747SS**  091.30-66.9178.6-174.800107.8T3M1-T3 PolarHBondContact O-N 2.8Å
2T37.4Very low58.7Low125 Ų125133.3 Ų133.377%0.76774%0.736SS**  trans-74.5106.3176.342.50000108.1H4T2-H4 PolarHBondContact O-N 2.81Å
3T40.1Very low60.7Low126 Ų126133.2 Ų133.277%0.77373%0.733SS**  trans-64.498.7173.349.90000107.8M1 F5M1-T3 PolarHBondContact O-N 2.8Å; T3-F5 PolarHBondContact O-N 2.91Å; T3-F5 VanDerWaalsContact O-N 3.09Å
4H49.5Very low62.2Low135 Ų135129.4 Ų129.463%0.62572%0.721SS**  trans-55.8117166.4-79.5-79.4000107T2 R6T2-H4 PolarHBondContact O-N 2.81Å; H4-R6 PolarHBondContact O-N 2.65Å
5F45Very low63.6Low207 Ų207123.2 Ų123.291%0.90869%0.693SS**  trans-60.693165.9-107.4-92.6000106.5T3 S7T3-F5 PolarHBondContact O-N 2.91Å; T3-F5 VanDerWaalsContact O-N 3.09Å; F5-S7 PolarHBondContact O-N 3.33Å
6R58.2Low64.9Low226 Ų226121.7 Ų121.785%0.85368%0.678SS**  trans-65.9122167.5-74.8-177173.9-178.2-1.8105.5H4 G8H4-R6 PolarHBondContact O-N 2.65Å; R6-G8 PolarHBondContact O-N 2.99Å
7S62.1Low66Low119 Ų119118.8 Ų118.883%0.83266%0.664SS**  trans-45.1131.1173.7-170.10000109.4F5F5-S7 PolarHBondContact O-N 3.33Å
8G64.8Low66.9Low51 Ų51118.6 Ų118.653%0.52666%0.655SS.*PPolyproline II helixtrans-61.3165.2-178.400000111.7R6 A10R6-G8 PolarHBondContact O-N 2.99Å; G8-A10 PolarHBondContact O-N 2.81Å
9P69.1Low67.8Low99 Ų99116.8 Ų116.864%0.64365%0.652SS**PPolyproline II helixtrans-52.9132.2176-19.429.4000110.2F11P9-F11 HydrophobicContact CB-CE1 4.32Å; P9-F11 HydrophobicContact CB-CE2 3.91Å; P9-F11 HydrophobicContact CB-CZ 3.73Å; P9-F11 HydrophobicContact CG-CE2 4.39Å; P9-F11 HydrophobicContact CG-CZ 4.14Å; P9-F11 WeakPolarHBondContact O-CD2 3.46Å; P9-F11 WeakPolarHBondContact O-CE2 3.33Å
10A71Confident68.7Low48 Ų48117.3 Ų117.340%0.39765%0.647SS.*PPolyproline II helixtrans-69.6135172.600000108.6G8 A15G8-A10 PolarHBondContact O-N 2.81Å; A10-A15 VanDerWaalsContact O-CB 3.3Å; A10-A15 WeakPolarHBondContact O-CB 3.36Å
11F82.5Confident69.4Low165 Ų165114.1 Ų114.172%0.72463%0.629SS**  trans-121158178.1-62.9-77.5000111.1P9P9-F11 HydrophobicContact CB-CE1 4.32Å; P9-F11 HydrophobicContact CB-CE2 3.91Å; P9-F11 HydrophobicContact CB-CZ 3.73Å; P9-F11 HydrophobicContact CG-CE2 4.39Å; P9-F11 HydrophobicContact CG-CZ 4.14Å; P9-F11 WeakPolarHBondContact O-CD2 3.46Å; P9-F11 WeakPolarHBondContact O-CE2 3.33Å
12G87.3Confident71.5Confident60 Ų60105.7 Ų105.762%0.61960%0.597SS**THydrogen-bonded Turntrans64-134.8176.500000113.4S14 A15 E16G12-S14 VanDerWaalsContact C-N 3.27Å; G12-S14 PolarHBondContact O-N 2.94Å; G12-A15 WeakPolarHBondContact O-CB 3.41Å; G12-A15 PolarHBondContact O-N 3.33Å; G12-A15 VanDerWaalsContact O-N 3.07Å; G12-E16 PolarHBondContact O-N 2.68Å; G12-E16 VanDerWaalsContact O-N 3.15Å
13L84.1Confident73.7Confident133 Ų133103 Ų10370%0.69659%0.594SS**Hα-helixtrans-56.8-38.4-176.8-174.965000112.7A15 E16 V17L13-A15 VanDerWaalsContact C-N 3.31Å; L13-A15 PolarHBondContact O-N 3.3Å; L13-E16 PolarHBondContact O-N 2.61Å; L13-V17 HydrophobicContact CD1-CG2 4.43Å; L13-V17 HydrophobicContact CG-CG2 4.43Å; L13-V17 WeakPolarHBondContact O-CB 3.49Å; L13-V17 VanDerWaalsContact O-CG2 3.27Å; L13-V17 WeakPolarHBondContact O-CG2 3.35Å; L13-V17 PolarHBondContact O-N 2.63Å
14S82.1Confident76.1Confident80 Ų80104.3 Ų104.356%0.55959%0.589SS**Hα-helixtrans-65-35.7178.8-55.80000112.3G12 K18G12-S14 VanDerWaalsContact C-N 3.27Å; G12-S14 PolarHBondContact O-N 2.94Å; S14-K18 WeakPolarHBondContact O-CB 3.5Å; S14-K18 PolarHBondContact O-N 2.64Å
15A82.8Confident78.1Confident36 Ų36100.1 Ų100.130%0.29857%0.568SS.*Hα-helixtrans-69.7-4317600000111.5A10 G12 L13 K18 S19A10-A15 VanDerWaalsContact O-CB 3.3Å; A10-A15 WeakPolarHBondContact O-CB 3.36Å; G12-A15 WeakPolarHBondContact O-CB 3.41Å; G12-A15 PolarHBondContact O-N 3.33Å; G12-A15 VanDerWaalsContact O-N 3.07Å; L13-A15 VanDerWaalsContact C-N 3.31Å; L13-A15 PolarHBondContact O-N 3.3Å; A15-K18 PolarHBondContact O-N 3.19Å; A15-S19 WeakPolarHBondContact O-CB 3.48Å; A15-S19 PolarHBondContact O-N 2.96Å
16E85.3Confident80.4Confident99 Ų9993 Ų9346%0.46354%0.539SS..Hα-helixtrans-65-42.9178.6-168-173.715900111.5G12 L13 S19 K20G12-E16 PolarHBondContact O-N 2.68Å; G12-E16 VanDerWaalsContact O-N 3.15Å; L13-E16 PolarHBondContact O-N 2.61Å; E16-S19 PolarHBondContact O-N 2.95Å; E16-K20 HydrophobicContact CG-CD 4.48Å; E16-K20 WeakPolarHBondContact O-CB 3.42Å; E16-K20 WeakPolarHBondContact O-CG 3.26Å; E16-K20 PolarHBondContact O-N 3.12Å; E16-K20 WeakPolarHBondContact OE1-CE 3.16Å; E16-K20 IonicContact OE1-NZ 3.39Å; E16-K20 PolarHBondContact OE1-NZ 3.28Å
17V83.6Confident82Confident72 Ų7286.6 Ų86.644%0.43653%0.527SS..Hα-helixtrans-61.8-46.5175169.80000110.7L13 S19 K20 L21L13-V17 HydrophobicContact CD1-CG2 4.43Å; L13-V17 HydrophobicContact CG-CG2 4.43Å; L13-V17 WeakPolarHBondContact O-CB 3.49Å; L13-V17 VanDerWaalsContact O-CG2 3.27Å; L13-V17 WeakPolarHBondContact O-CG2 3.35Å; L13-V17 PolarHBondContact O-N 2.63Å; V17-S19 VanDerWaalsContact C-N 3.33Å; V17-S19 PolarHBondContact O-N 3.2Å; V17-K20 PolarHBondContact O-N 2.82Å; V17-L21 HydrophobicContact CG1-CD1 3.7Å; V17-L21 WeakPolarHBondContact O-CB 3.3Å; V17-L21 WeakPolarHBondContact O-CD1 3.33Å; V17-L21 PolarHBondContact O-N 3.27Å
18K81.8Confident83.4Confident115 Ų11587.9 Ų87.950%0.552%0.52SS..Hα-helixtrans-60.6-42.1176.6-171.8173.7-176174.20112S14 A15 L21 A22S14-K18 WeakPolarHBondContact O-CB 3.5Å; S14-K18 PolarHBondContact O-N 2.64Å; A15-K18 PolarHBondContact O-N 3.19Å; K18-L21 PolarHBondContact O-N 3.41Å; K18-A22 WeakPolarHBondContact O-CB 3.07Å; K18-A22 PolarHBondContact O-N 3.18Å
19S84.1Confident84.7Confident85 Ų8589.9 Ų89.959%0.59451%0.514SS*.Hα-helixtrans-63.5-45.8176.3-176.30000111.9A15 E16 V17 L21 A22 G23A15-S19 WeakPolarHBondContact O-CB 3.48Å; A15-S19 PolarHBondContact O-N 2.96Å; E16-S19 PolarHBondContact O-N 2.95Å; V17-S19 VanDerWaalsContact C-N 3.33Å; V17-S19 PolarHBondContact O-N 3.2Å; S19-L21 VanDerWaalsContact C-N 3.33Å; S19-L21 PolarHBondContact O-N 3.39Å; S19-A22 PolarHBondContact O-N 3.31Å; S19-G23 PolarHBondContact O-N 3.1Å
20K85.5Confident85.9Confident127 Ų12786.9 Ų86.955%0.55249%0.491SS*.Hα-helixtrans-62.9-37.2175.5-75.1178.4-176.4168.70112.7E16 V17 K24E16-K20 HydrophobicContact CG-CD 4.48Å; E16-K20 WeakPolarHBondContact O-CB 3.42Å; E16-K20 WeakPolarHBondContact O-CG 3.26Å; E16-K20 PolarHBondContact O-N 3.12Å; E16-K20 WeakPolarHBondContact OE1-CE 3.16Å; E16-K20 IonicContact OE1-NZ 3.39Å; E16-K20 PolarHBondContact OE1-NZ 3.28Å; V17-K20 PolarHBondContact O-N 2.82Å; K20-K24 PolarHBondContact O-N 3.4Å
21L83.6Confident86.9Confident51 Ų5188.6 Ų88.627%0.26749%0.491SS..Hα-helixtrans-66-46.7174.5-86.4152.4000111.4V17 K18 S19 G23 K24 T117V17-L21 HydrophobicContact CG1-CD1 3.7Å; V17-L21 WeakPolarHBondContact O-CB 3.3Å; V17-L21 WeakPolarHBondContact O-CD1 3.33Å; V17-L21 PolarHBondContact O-N 3.27Å; K18-L21 PolarHBondContact O-N 3.41Å; S19-L21 VanDerWaalsContact C-N 3.33Å; S19-L21 PolarHBondContact O-N 3.39Å; L21-G23 VanDerWaalsContact C-N 3.26Å; L21-G23 PolarHBondContact O-N 3.45Å; L21-K24 WeakPolarHBondContact O-CB 3.39Å; L21-K24 PolarHBondContact O-N 2.97Å; L21-K24 VanDerWaalsContact O-N 3.08Å; L21-T117 WeakPolarHBondContact O-CG2 3.09Å; L21-T117 PolarHBondContact O-OG1 3.08Å
22A80.8Confident87.4Confident61 Ų6185.2 Ų85.250%0.50448%0.478SS..Hα-helixtrans-61.3-36.5176.400000111.8K18 S19 K24 Y25K18-A22 WeakPolarHBondContact O-CB 3.07Å; K18-A22 PolarHBondContact O-N 3.18Å; S19-A22 PolarHBondContact O-N 3.31Å; A22-K24 PolarHBondContact O-N 2.94Å; A22-Y25 WeakPolarHBondContact O-CB 3.31Å; A22-Y25 PolarHBondContact O-N 3.32Å; A22-Y25 VanDerWaalsContact O-N 3.08Å
23G85.4Confident87.8Confident69 Ų6982.4 Ų82.471%0.71145%0.448SS*.THydrogen-bonded Turntrans-67.3-14.9175.400000115.1S19 L21S19-G23 PolarHBondContact O-N 3.1Å; L21-G23 VanDerWaalsContact C-N 3.26Å; L21-G23 PolarHBondContact O-N 3.45Å
24K89.7Confident88.3Confident153 Ų15377.6 Ų77.667%0.66542%0.421SS*.THydrogen-bonded Turntrans-86.3-10.7172.8-68.6175.2-177.3-175.90112.9K20 L21 A22 T117K20-K24 PolarHBondContact O-N 3.4Å; L21-K24 WeakPolarHBondContact O-CB 3.39Å; L21-K24 PolarHBondContact O-N 2.97Å; L21-K24 VanDerWaalsContact O-N 3.08Å; A22-K24 PolarHBondContact O-N 2.94Å; K24-T117 HydrophobicContact CB-CG2 3.78Å
25Y91.4Very high88.9Confident47 Ų4776.1 Ų76.118%0.18441%0.406CS..  trans-67.4131.1176.5-167.3-94.2000109.7A22 E30 M50 H116 Q120A22-Y25 WeakPolarHBondContact O-CB 3.31Å; A22-Y25 PolarHBondContact O-N 3.32Å; A22-Y25 VanDerWaalsContact O-N 3.08Å; Y25-E30 HydrophobicContact CE1-CB 4.4Å; Y25-E30 WeakPolarHBondContact CE1-OE2 3.32Å; Y25-E30 VanDerWaalsContact CZ-OE2 3.31Å; Y25-E30 VanDerWaalsContact OH-CD 3.29Å; Y25-E30 WeakPolarHBondContact OH-CG 3.49Å; Y25-E30 PolarHBondContact OH-OE2 3.12Å; Y25-M50 HydrophobicContact CE2-CE 3.49Å; Y25-M50 VanDerWaalsContact CE2-CE 3.49Å; Y25-M50 WeakPolarHBondContact OH-CE 3.39Å; Y25-H116 HydrophobicContact CD2-CB 4.21Å; Y25-H116 HydrophobicContact CE2-CB 4.03Å; Y25-Q120 HydrophobicContact CD2-CB 4.33Å; Y25-Q120 HydrophobicContact CE2-CB 3.9Å; Y25-Q120 HydrophobicContact CE2-CG 4.41Å
26D92.5Very high89.4Confident57 Ų5774.7 Ų74.731%0.30539%0.393SS..  trans-117.4109.4-176.7-172.9-14.2000110.4H28 K29 E30 Q120D26-H28 PolarHBondContact O-N 3.33Å; D26-H28 WeakPolarHBondContact OD1-CB 3.43Å; D26-H28 PolarHBondContact OD1-N 3.5Å; D26-K29 HydrophobicContact CB-CB 4.12Å; D26-K29 HydrophobicContact CB-CD 4.03Å; D26-K29 HydrophobicContact CB-CG 4.04Å; D26-K29 PolarHBondContact O-N 2.88Å; D26-E30 PolarHBondContact O-N 3.34Å; D26-E30 VanDerWaalsContact O-N 3.12Å; D26-Q120 PolarHBondContact O-NE2 3.01Å
27P92.5Very high89.9Confident92 Ų9270 Ų7060%0.59737%0.371SS*.Hα-helixtrans-60.6-28.7178.7-23.934.4000113.7E30 E31P27-E30 WeakPolarHBondContact O-CB 3.45Å; P27-E30 PolarHBondContact O-N 2.89Å; P27-E31 PolarHBondContact O-N 3.41Å
28H92.2Very high90.4Very high145 Ų14567.9 Ų67.967%0.67136%0.357SS*.Hα-helixtrans-67.9-42.9177.6-108.8-92.7000111.1D26 E30 E31 E32D26-H28 PolarHBondContact O-N 3.33Å; D26-H28 WeakPolarHBondContact OD1-CB 3.43Å; D26-H28 PolarHBondContact OD1-N 3.5Å; H28-E30 VanDerWaalsContact C-N 3.27Å; H28-E30 PolarHBondContact O-N 2.87Å; H28-E31 PolarHBondContact O-N 3.01Å; H28-E32 PolarHBondContact O-N 3.21Å; H28-E32 VanDerWaalsContact O-N 3.1Å
29K91.6Very high91Very high93 Ų9365.7 Ų65.740%0.40435%0.351SS..Hα-helixtrans-68-29175.7-67.3-176.8-175.61780112.6D26 E31 L33 I124D26-K29 HydrophobicContact CB-CB 4.12Å; D26-K29 HydrophobicContact CB-CD 4.03Å; D26-K29 HydrophobicContact CB-CG 4.04Å; D26-K29 PolarHBondContact O-N 2.88Å; K29-E31 VanDerWaalsContact C-N 3.34Å; K29-L33 VanDerWaalsContact O-CB 3.28Å; K29-L33 WeakPolarHBondContact O-CB 3.48Å; K29-L33 WeakPolarHBondContact O-CG 3.11Å; K29-L33 PolarHBondContact O-N 3.24Å; K29-I124 HydrophobicContact CB-CD1 4.2Å; K29-I124 HydrophobicContact CD-CD1 3.88Å
30E93.6Very high91.5Very high36 Ų3662.3 Ų62.317%0.16833%0.326CS..Hα-helixtrans-61.3-44.8171.3-173.9-164.9117.500110.8Y25 D26 P27 H28 L33 R34 F49 Q120Y25-E30 HydrophobicContact CE1-CB 4.4Å; Y25-E30 WeakPolarHBondContact CE1-OE2 3.32Å; Y25-E30 VanDerWaalsContact CZ-OE2 3.31Å; Y25-E30 VanDerWaalsContact OH-CD 3.29Å; Y25-E30 WeakPolarHBondContact OH-CG 3.49Å; Y25-E30 PolarHBondContact OH-OE2 3.12Å; D26-E30 PolarHBondContact O-N 3.34Å; D26-E30 VanDerWaalsContact O-N 3.12Å; P27-E30 WeakPolarHBondContact O-CB 3.45Å; P27-E30 PolarHBondContact O-N 2.89Å; H28-E30 VanDerWaalsContact C-N 3.27Å; H28-E30 PolarHBondContact O-N 2.87Å; E30-L33 WeakPolarHBondContact O-CB 3.37Å; E30-L33 PolarHBondContact O-N 3.21Å; E30-R34 WeakPolarHBondContact O-CB 3.32Å; E30-R34 PolarHBondContact O-N 3.43Å; E30-R34 IonicContact OE1-CZ 3.54Å; E30-R34 IonicContact OE1-NH1 3.88Å; E30-R34 PolarHBondContact OE1-NH1 2.82Å; E30-R34 IonicContact OE1-NH2 2.64Å; E30-R34 PolarHBondContact OE1-NH2 3.31Å; E30-F49 HydrophobicContact CG-CB 3.87Å; E30-F49 HydrophobicContact CG-CD1 3.64Å; E30-F49 HydrophobicContact CG-CD2 4.35Å; E30-F49 HydrophobicContact CG-CE1 4.23Å; E30-F49 HydrophobicContact CG-CG 3.71Å; E30-F49 WeakPolarHBondContact OE1-CB 3.43Å; E30-Q120 VanDerWaalsContact N-NE2 3.19Å
31E93.3Very high91.9Very high84 Ų8457.4 Ų57.439%0.39331%0.307SS..Hα-helixtrans-65.7-42.8178.1-175.858.6-159.200112P27 H28 K29 L33 R34 L35P27-E31 PolarHBondContact O-N 3.41Å; H28-E31 PolarHBondContact O-N 3.01Å; K29-E31 VanDerWaalsContact C-N 3.34Å; E31-L33 VanDerWaalsContact C-N 3.3Å; E31-L33 PolarHBondContact O-N 3.44Å; E31-R34 WeakPolarHBondContact O-CB 3.45Å; E31-R34 PolarHBondContact O-N 3.45Å; E31-R34 IonicContact OE2-CZ 2.87Å; E31-R34 IonicContact OE2-NE 2.65Å; E31-R34 IonicContact OE2-NH1 2.6Å; E31-R34 PolarHBondContact OE2-NH1 3.2Å; E31-L35 HydrophobicContact CG-CD1 4.41Å; E31-L35 WeakPolarHBondContact O-CG 3.28Å; E31-L35 PolarHBondContact O-N 3.1Å
32E93.3Very high92.3Very high95 Ų9558.2 Ų58.244%0.44433%0.328SS..Hα-helixtrans-61.2-40.4174.4-66.3179.4162.200111.9H28 L35 W36 L141H28-E32 PolarHBondContact O-N 3.21Å; H28-E32 VanDerWaalsContact O-N 3.1Å; E32-L35 PolarHBondContact O-N 2.92Å; E32-W36 WeakPolarHBondContact O-CB 3.38Å; E32-W36 PolarHBondContact O-N 2.97Å; E32-L141 HydrophobicContact CB-CD1 4Å
33L94.6Very high92.8Very high0 Ų059.6 Ų59.60%032%0.322CS..Hα-helixtrans-61.9-44.8172.9-87.1167.4000112.1K29 E30 E31 W36 I37 F49 Q120 L123 I124 L141K29-L33 VanDerWaalsContact O-CB 3.28Å; K29-L33 WeakPolarHBondContact O-CB 3.48Å; K29-L33 WeakPolarHBondContact O-CG 3.11Å; K29-L33 PolarHBondContact O-N 3.24Å; E30-L33 WeakPolarHBondContact O-CB 3.37Å; E30-L33 PolarHBondContact O-N 3.21Å; E31-L33 VanDerWaalsContact C-N 3.3Å; E31-L33 PolarHBondContact O-N 3.44Å; L33-W36 PolarHBondContact O-N 3.25Å; L33-I37 VanDerWaalsContact O-CG1 3.28Å; L33-I37 WeakPolarHBondContact O-CG1 3.4Å; L33-I37 PolarHBondContact O-N 3.12Å; L33-F49 HydrophobicContact CB-CE2 4.3Å; L33-F49 HydrophobicContact CB-CZ 3.95Å; L33-F49 HydrophobicContact CD1-CZ 4.48Å; L33-Q120 HydrophobicContact CD1-CB 4.42Å; L33-Q120 HydrophobicContact CD1-CG 3.72Å; L33-L123 HydrophobicContact CD1-CB 4.34Å; L33-L123 HydrophobicContact CD2-CB 3.49Å; L33-L123 VanDerWaalsContact CD2-CB 3.49Å; L33-I124 HydrophobicContact CD1-CD1 4.32Å; L33-I124 HydrophobicContact CD1-CG1 3.94Å; L33-I124 HydrophobicContact CD2-CG1 4.14Å; L33-I124 HydrophobicContact CG-CG1 4.06Å; L33-L141 HydrophobicContact CB-CD2 4.37Å; L33-L141 HydrophobicContact CD2-CD2 3.37Å; L33-L141 HydrophobicContact CG-CD2 3.7Å
34R94.7Very high93Very high33 Ų3366.4 Ų66.413%0.12533%0.326CS..Hα-helixtrans-55.1-56176.8-177-172.2-82.598.2-2109E30 E31 W36 I37 E38 I45 E47 F49E30-R34 WeakPolarHBondContact O-CB 3.32Å; E30-R34 PolarHBondContact O-N 3.43Å; E30-R34 IonicContact OE1-CZ 3.54Å; E30-R34 IonicContact OE1-NH1 3.88Å; E30-R34 PolarHBondContact OE1-NH1 2.82Å; E30-R34 IonicContact OE1-NH2 2.64Å; E30-R34 PolarHBondContact OE1-NH2 3.31Å; E31-R34 WeakPolarHBondContact O-CB 3.45Å; E31-R34 PolarHBondContact O-N 3.45Å; E31-R34 IonicContact OE2-CZ 2.87Å; E31-R34 IonicContact OE2-NE 2.65Å; E31-R34 IonicContact OE2-NH1 2.6Å; E31-R34 PolarHBondContact OE2-NH1 3.2Å; R34-W36 VanDerWaalsContact C-N 3.32Å; R34-W36 PolarHBondContact O-N 3.36Å; R34-I37 PolarHBondContact O-N 2.5Å; R34-E38 VanDerWaalsContact O-CG 3.31Å; R34-E38 WeakPolarHBondContact O-CG 3.28Å; R34-E38 PolarHBondContact O-N 3.33Å; R34-I45 HydrophobicContact CB-CD1 4.46Å; R34-I45 HydrophobicContact CG-CB 4.06Å; R34-I45 HydrophobicContact CG-CD1 3.99Å; R34-I45 HydrophobicContact CG-CG2 4.24Å; R34-E47 PolarHBondContact NH2-O 3.29Å; R34-F49 HydrophobicContact CB-CD2 4.01Å; R34-F49 HydrophobicContact CB-CE2 4.19Å; R34-F49 HydrophobicContact CG-CD2 4.41Å
35L94.1Very high93Very high48 Ų4859.9 Ų59.925%0.25130%0.299SS..Hα-helixtrans-58.5-41.5179.8-66.7173.5000112.8E31 E32 D39 Y139E31-L35 HydrophobicContact CG-CD1 4.41Å; E31-L35 WeakPolarHBondContact O-CG 3.28Å; E31-L35 PolarHBondContact O-N 3.1Å; E32-L35 PolarHBondContact O-N 2.92Å; L35-D39 WeakPolarHBondContact O-CB 3.34Å; L35-D39 PolarHBondContact O-N 3.15Å; L35-Y139 HydrophobicContact CB-CD1 3.96Å; L35-Y139 HydrophobicContact CB-CD2 3.9Å; L35-Y139 HydrophobicContact CB-CE1 3.9Å; L35-Y139 HydrophobicContact CB-CE2 3.82Å; L35-Y139 HydrophobicContact CB-CG 3.96Å; L35-Y139 HydrophobicContact CD1-CD1 4.2Å; L35-Y139 HydrophobicContact CD1-CE1 3.8Å; L35-Y139 HydrophobicContact CG-CE1 4.3Å; L35-Y139 WeakPolarHBondContact O-CD2 3.23Å; L35-Y139 WeakPolarHBondContact O-CE2 3.33Å
36W94.8Very high92.8Very high7 Ų759.5 Ų59.53%0.02731%0.309CS..Hα-helixtrans-65.5-45.5177.6179.179.4000112.5E32 L33 R34 D39 V40 L62 L66 L126 A127 A130 S137 L141E32-W36 WeakPolarHBondContact O-CB 3.38Å; E32-W36 PolarHBondContact O-N 2.97Å; L33-W36 PolarHBondContact O-N 3.25Å; R34-W36 VanDerWaalsContact C-N 3.32Å; R34-W36 PolarHBondContact O-N 3.36Å; W36-D39 PolarHBondContact O-N 3.27Å; W36-V40 HydrophobicContact CD2-CG2 4.09Å; W36-V40 HydrophobicContact CG-CG2 4.44Å; W36-V40 HydrophobicContact CZ2-CG2 3.94Å; W36-V40 WeakPolarHBondContact O-CG2 3.48Å; W36-V40 PolarHBondContact O-N 3.5Å; W36-L62 HydrophobicContact CH2-CD1 4.08Å; W36-L62 HydrophobicContact CH2-CD2 4.46Å; W36-L62 HydrophobicContact CZ3-CD1 4.01Å; W36-L62 HydrophobicContact CZ3-CD2 4Å; W36-L66 HydrophobicContact CH2-CD1 4.08Å; W36-L66 HydrophobicContact CZ2-CD2 4.48Å; W36-L126 HydrophobicContact CH2-CG 4.46Å; W36-A127 HydrophobicContact CD2-CB 3.98Å; W36-A127 HydrophobicContact CE3-CB 4.17Å; W36-A127 HydrophobicContact CH2-CB 3.9Å; W36-A127 HydrophobicContact CZ2-CB 3.68Å; W36-A127 HydrophobicContact CZ3-CB 4.13Å; W36-A130 HydrophobicContact CZ2-CB 4.44Å; W36-S137 VanDerWaalsContact CD1-OG 3.28Å; W36-L141 HydrophobicContact CB-CB 4.39Å; W36-L141 HydrophobicContact CB-CD2 4.06Å; W36-L141 HydrophobicContact CD2-CD2 4.35Å; W36-L141 HydrophobicContact CE3-CD2 4.44Å; W36-L141 HydrophobicContact CG-CB 4.24Å; W36-L141 HydrophobicContact CG-CD2 4.17Å
37I94.7Very high92.6Very high0 Ų066.1 Ų66.10%034%0.338CS..Hα-helixtrans-65.3-40.8178.1-65.6174000110.5L33 R34 V40 T41 I45 F49 L58 L62 L123L33-I37 VanDerWaalsContact O-CG1 3.28Å; L33-I37 WeakPolarHBondContact O-CG1 3.4Å; L33-I37 PolarHBondContact O-N 3.12Å; R34-I37 PolarHBondContact O-N 2.5Å; I37-V40 PolarHBondContact O-N 3.14Å; I37-T41 HydrophobicContact CG2-CG2 4.13Å; I37-T41 WeakPolarHBondContact O-CB 3.44Å; I37-T41 WeakPolarHBondContact O-CG2 3.39Å; I37-T41 PolarHBondContact O-N 3.43Å; I37-T41 PolarHBondContact O-OG1 2.89Å; I37-I45 HydrophobicContact CB-CD1 3.93Å; I37-I45 HydrophobicContact CG2-CD1 3.88Å; I37-F49 HydrophobicContact CD1-CE2 4.01Å; I37-F49 HydrophobicContact CD1-CZ 3.98Å; I37-L58 HydrophobicContact CG2-CD1 4.44Å; I37-L58 HydrophobicContact CG2-CD2 4.01Å; I37-L58 HydrophobicContact CG2-CG 4.14Å; I37-L62 HydrophobicContact CD1-CD2 4.38Å; I37-L62 HydrophobicContact CG1-CD2 4.14Å; I37-L123 HydrophobicContact CD1-CD1 4.27Å
38E94.9Very high92.5Very high28 Ų2865.7 Ų65.713%0.13133%0.331CS..Hα-helixtrans-63.4-40.3176.1-66.2-156.6159.200112.2R34 G42 K43 R44 I45R34-E38 VanDerWaalsContact O-CG 3.31Å; R34-E38 WeakPolarHBondContact O-CG 3.28Å; R34-E38 PolarHBondContact O-N 3.33Å; E38-G42 WeakPolarHBondContact O-CA 3.41Å; E38-G42 PolarHBondContact O-N 3.24Å; E38-K43 WeakPolarHBondContact CA-O 3.49Å; E38-K43 WeakPolarHBondContact CB-O 3.3Å; E38-K43 VanDerWaalsContact CG-O 3.26Å; E38-K43 WeakPolarHBondContact CG-O 3.18Å; E38-R44 WeakPolarHBondContact OE1-CA 3.26Å; E38-R44 WeakPolarHBondContact OE1-CD 3.45Å; E38-R44 IonicContact OE2-CZ 3.73Å; E38-R44 IonicContact OE2-NE 3.97Å; E38-R44 IonicContact OE2-NH1 2.8Å; E38-R44 PolarHBondContact OE2-NH1 3.34Å; E38-I45 HydrophobicContact CG-CB 4.44Å; E38-I45 HydrophobicContact CG-CD1 4.07Å; E38-I45 HydrophobicContact CG-CG1 4.03Å; E38-I45 PolarHBondContact OE1-N 3.21Å
39D94Very high92.5Very high69 Ų6958.8 Ų58.837%0.36930%0.299SS..Hα-helixtrans-65.2-41.9176.7-175.264.8000111.8L35 W36 S137 K138 Y139L35-D39 WeakPolarHBondContact O-CB 3.34Å; L35-D39 PolarHBondContact O-N 3.15Å; W36-D39 PolarHBondContact O-N 3.27Å; D39-S137 WeakPolarHBondContact OD2-CA 3.34Å; D39-S137 WeakPolarHBondContact OD2-CB 3.36Å; D39-S137 PolarHBondContact OD2-OG 3.32Å; D39-K138 PolarHBondContact OD2-N 3.28Å; D39-Y139 HydrophobicContact CB-CD2 3.78Å; D39-Y139 HydrophobicContact CB-CE2 4.02Å
40V93.9Very high92.6Very high14 Ų1454.7 Ų54.79%0.08528%0.281CS..Hα-helixtrans-72.2-46.8-179.9178.30000111.4W36 I37 L62 V65 L66 F135W36-V40 HydrophobicContact CD2-CG2 4.09Å; W36-V40 HydrophobicContact CG-CG2 4.44Å; W36-V40 HydrophobicContact CZ2-CG2 3.94Å; W36-V40 WeakPolarHBondContact O-CG2 3.48Å; W36-V40 PolarHBondContact O-N 3.5Å; I37-V40 PolarHBondContact O-N 3.14Å; V40-L62 HydrophobicContact CB-CD1 3.9Å; V40-L62 HydrophobicContact CG1-CD1 3.59Å; V40-L62 HydrophobicContact CG2-CD1 4.47Å; V40-V65 HydrophobicContact CG1-CB 4.12Å; V40-V65 HydrophobicContact CG1-CG1 3.74Å; V40-V65 WeakPolarHBondContact O-CG1 3.43Å; V40-L66 HydrophobicContact CG1-CD2 3.99Å; V40-L66 HydrophobicContact CG1-CG 4.36Å; V40-F135 HydrophobicContact CG1-CE1 4.27Å; V40-F135 HydrophobicContact CG1-CZ 3.95Å; V40-F135 HydrophobicContact CG2-CE1 3.79Å; V40-F135 HydrophobicContact CG2-CZ 4.24Å
41T93.4Very high92.5Very high24 Ų2459.2 Ų59.215%0.14730%0.302CS..Hα-helixtrans-89.2-20-173.262.20000113.6I37 K43 L58 L62I37-T41 HydrophobicContact CG2-CG2 4.13Å; I37-T41 WeakPolarHBondContact O-CB 3.44Å; I37-T41 WeakPolarHBondContact O-CG2 3.39Å; I37-T41 PolarHBondContact O-N 3.43Å; I37-T41 PolarHBondContact O-OG1 2.89Å; T41-K43 PolarHBondContact O-N 3.19Å; T41-K43 PolarHBondContact OG1-N 3.29Å; T41-L58 HydrophobicContact CG2-CD1 4.09Å; T41-L62 HydrophobicContact CG2-CB 3.9Å; T41-L62 HydrophobicContact CG2-CD1 3.95Å
42G91.9Very high92.5Very high68 Ų6856.9 Ų56.970%0.70130%0.295SS*.  trans69.77.2-171.300000114.2E38E38-G42 WeakPolarHBondContact O-CA 3.41Å; E38-G42 PolarHBondContact O-N 3.24Å
43K91.3Very high92.5Very high90 Ų9052.3 Ų52.339%0.39127%0.274SS..PPolyproline II helixtrans-100.7146.1-178.6-65.5-167.9175.8-167.20111E38 T41 L58 E61E38-K43 WeakPolarHBondContact CA-O 3.49Å; E38-K43 WeakPolarHBondContact CB-O 3.3Å; E38-K43 VanDerWaalsContact CG-O 3.26Å; E38-K43 WeakPolarHBondContact CG-O 3.18Å; T41-K43 PolarHBondContact O-N 3.19Å; T41-K43 PolarHBondContact OG1-N 3.29Å; K43-L58 HydrophobicContact CB-CD1 4.01Å; K43-L58 HydrophobicContact CD-CD1 4.02Å; K43-L58 HydrophobicContact CG-CD1 4.5Å; K43-E61 VanDerWaalsContact CD-OE2 3.3Å; K43-E61 WeakPolarHBondContact CD-OE2 3.4Å; K43-E61 WeakPolarHBondContact CE-OE2 3.35Å; K43-E61 IonicContact NZ-OE1 2.63Å; K43-E61 PolarHBondContact NZ-OE1 2.76Å; K43-E61 IonicContact NZ-OE2 2.61Å; K43-E61 PolarHBondContact NZ-OE2 3.38Å
44R89.7Confident92.4Very high211 Ų21155 Ų5580%0.79629%0.286SS*.PPolyproline II helixtrans-81.8134.1173.6-72.2-69.6-174.2-116.3-8.7110.8E38E38-R44 WeakPolarHBondContact OE1-CA 3.26Å; E38-R44 WeakPolarHBondContact OE1-CD 3.45Å; E38-R44 IonicContact OE2-CZ 3.73Å; E38-R44 IonicContact OE2-NE 3.97Å; E38-R44 IonicContact OE2-NH1 2.8Å; E38-R44 PolarHBondContact OE2-NH1 3.34Å
45I91.4Very high92.4Very high17 Ų1756.4 Ų56.49%0.08730%0.295CS..PPolyproline II helixtrans-91.1141.8172.9-65172.7000108.1R34 I37 E38 F49 L58R34-I45 HydrophobicContact CB-CD1 4.46Å; R34-I45 HydrophobicContact CG-CB 4.06Å; R34-I45 HydrophobicContact CG-CD1 3.99Å; R34-I45 HydrophobicContact CG-CG2 4.24Å; I37-I45 HydrophobicContact CB-CD1 3.93Å; I37-I45 HydrophobicContact CG2-CD1 3.88Å; E38-I45 HydrophobicContact CG-CB 4.44Å; E38-I45 HydrophobicContact CG-CD1 4.07Å; E38-I45 HydrophobicContact CG-CG1 4.03Å; E38-I45 PolarHBondContact OE1-N 3.21Å; I45-F49 HydrophobicContact CD1-CD2 4.25Å; I45-F49 HydrophobicContact CD1-CE2 4.11Å; I45-F49 HydrophobicContact CG2-CD2 4.11Å; I45-L58 HydrophobicContact CD1-CD2 4.05Å; I45-L58 HydrophobicContact CG1-CD2 3.69Å
46G86.6Confident92.3Very high38 Ų3854.1 Ų54.139%0.39228%0.283SS..  trans-68.6178.9177.400000112.8N48 S52G46-N48 VanDerWaalsContact C-N 3.25Å; G46-N48 PolarHBondContact O-N 3.05Å; G46-S52 PolarHBondContact N-OG 2.69Å; G46-S52 VanDerWaalsContact N-OG 3.12Å
47E87.4Confident92.4Very high197 Ų19754.3 Ų54.392%0.92129%0.285SS*.SBendtrans-55.8-43.5178.2-62.9-170.4163.600111.5R34R34-E47 PolarHBondContact NH2-O 3.29Å
48N91.8Very high92.4Very high83 Ų8355 Ų5544%0.44429%0.289SS..  trans-90.8107.1176.5-168.1-20.7000111.1G46 M50 E51 S52G46-N48 VanDerWaalsContact C-N 3.25Å; G46-N48 PolarHBondContact O-N 3.05Å; N48-M50 PolarHBondContact OD1-N 2.98Å; N48-E51 HydrophobicContact CB-CB 3.87Å; N48-E51 PolarHBondContact ND2-OE2 3.24Å; N48-E51 PolarHBondContact OD1-N 2.81Å; N48-S52 PolarHBondContact O-N 3.4Å; N48-S52 VanDerWaalsContact O-N 3.14Å; N48-S52 PolarHBondContact O-OG 3.27Å
49F92Very high92.5Very high0 Ų053.7 Ų53.70%028%0.283CS..Hα-helixtrans-58.3-50.7-179.7179.2-104.3000112.2E30 L33 R34 I37 I45 E51 S52 L53 L123E30-F49 HydrophobicContact CG-CB 3.87Å; E30-F49 HydrophobicContact CG-CD1 3.64Å; E30-F49 HydrophobicContact CG-CD2 4.35Å; E30-F49 HydrophobicContact CG-CE1 4.23Å; E30-F49 HydrophobicContact CG-CG 3.71Å; E30-F49 WeakPolarHBondContact OE1-CB 3.43Å; L33-F49 HydrophobicContact CB-CE2 4.3Å; L33-F49 HydrophobicContact CB-CZ 3.95Å; L33-F49 HydrophobicContact CD1-CZ 4.48Å; R34-F49 HydrophobicContact CB-CD2 4.01Å; R34-F49 HydrophobicContact CB-CE2 4.19Å; R34-F49 HydrophobicContact CG-CD2 4.41Å; I37-F49 HydrophobicContact CD1-CE2 4.01Å; I37-F49 HydrophobicContact CD1-CZ 3.98Å; I45-F49 HydrophobicContact CD1-CD2 4.25Å; I45-F49 HydrophobicContact CD1-CE2 4.11Å; I45-F49 HydrophobicContact CG2-CD2 4.11Å; F49-E51 PolarHBondContact O-N 2.85Å; F49-S52 WeakPolarHBondContact O-CB 3.35Å; F49-S52 PolarHBondContact O-N 2.87Å; F49-L53 HydrophobicContact CD1-CD1 4.06Å; F49-L53 HydrophobicContact CE1-CD1 3.52Å; F49-L53 HydrophobicContact CE2-CD1 4.21Å; F49-L53 HydrophobicContact CZ-CD1 3.6Å; F49-L53 WeakPolarHBondContact O-CG 3.38Å; F49-L53 PolarHBondContact O-N 2.6Å; F49-L123 HydrophobicContact CE1-CD1 4.34Å; F49-L123 HydrophobicContact CZ-CD1 4.1Å
50M92.2Very high92.6Very high7 Ų750.4 Ų50.43%0.03427%0.265CS..Hα-helixtrans-66.6-38.3-175.2-71-67.5170.100112.2Y25 N48 S52 L53 K54 L110 H116 V119Y25-M50 HydrophobicContact CE2-CE 3.49Å; Y25-M50 VanDerWaalsContact CE2-CE 3.49Å; Y25-M50 WeakPolarHBondContact OH-CE 3.39Å; N48-M50 PolarHBondContact OD1-N 2.98Å; M50-S52 VanDerWaalsContact C-N 3.32Å; M50-S52 PolarHBondContact O-N 3.08Å; M50-L53 PolarHBondContact O-N 3.38Å; M50-K54 PolarHBondContact O-N 3.17Å; M50-L110 HydrophobicContact SD-CD1 4.18Å; M50-H116 HydrophobicContact CE-CB 3.73Å; M50-H116 HydrophobicContact SD-CB 4.13Å; M50-V119 HydrophobicContact SD-CG1 4.44Å
51E92.1Very high92.7Very high131 Ų13151.7 Ų51.761%0.61227%0.27SS*.Hα-helixtrans-66.7-36.3177.3-171.1164.6-164.200112N48 F49 L53 K54N48-E51 HydrophobicContact CB-CB 3.87Å; N48-E51 PolarHBondContact ND2-OE2 3.24Å; N48-E51 PolarHBondContact OD1-N 2.81Å; F49-E51 PolarHBondContact O-N 2.85Å; E51-L53 PolarHBondContact O-N 2.92Å; E51-K54 VanDerWaalsContact O-CB 3.3Å; E51-K54 WeakPolarHBondContact O-CB 3.5Å; E51-K54 PolarHBondContact O-N 2.8Å
52S92.8Very high92.8Very high34 Ų3450.6 Ų50.624%0.23826%0.263CS..Hα-helixtrans-66.9-22.9176.8-570000113.4G46 N48 F49 M50G46-S52 PolarHBondContact N-OG 2.69Å; G46-S52 VanDerWaalsContact N-OG 3.12Å; N48-S52 PolarHBondContact O-N 3.4Å; N48-S52 VanDerWaalsContact O-N 3.14Å; N48-S52 PolarHBondContact O-OG 3.27Å; F49-S52 WeakPolarHBondContact O-CB 3.35Å; F49-S52 PolarHBondContact O-N 2.87Å; M50-S52 VanDerWaalsContact C-N 3.32Å; M50-S52 PolarHBondContact O-N 3.08Å
53L94.1Very high93.1Very high0 Ų047.3 Ų47.30%023%0.23CC..Hα-helixtrans-91.7-14.2177.1-61.8178.2000113.1F49 M50 E51 D55 G56 L58 L59 L110 L123F49-L53 HydrophobicContact CD1-CD1 4.06Å; F49-L53 HydrophobicContact CE1-CD1 3.52Å; F49-L53 HydrophobicContact CE2-CD1 4.21Å; F49-L53 HydrophobicContact CZ-CD1 3.6Å; F49-L53 WeakPolarHBondContact O-CG 3.38Å; F49-L53 PolarHBondContact O-N 2.6Å; M50-L53 PolarHBondContact O-N 3.38Å; E51-L53 PolarHBondContact O-N 2.92Å; L53-D55 VanDerWaalsContact C-N 3.3Å; L53-D55 PolarHBondContact O-N 3.43Å; L53-G56 PolarHBondContact O-N 3.21Å; L53-L58 HydrophobicContact CD2-CB 4.37Å; L53-L58 HydrophobicContact CD2-CD2 3.87Å; L53-L58 HydrophobicContact CD2-CG 4.32Å; L53-L59 HydrophobicContact CB-CD1 4.49Å; L53-L59 HydrophobicContact CB-CG 4.44Å; L53-L59 HydrophobicContact CD1-CD2 4.48Å; L53-L59 HydrophobicContact CD2-CD2 3.85Å; L53-L59 HydrophobicContact CD2-CG 4.13Å; L53-L110 HydrophobicContact CB-CD1 4.26Å; L53-L110 HydrophobicContact CB-CD2 4.05Å; L53-L110 WeakPolarHBondContact O-CD2 3.48Å; L53-L123 HydrophobicContact CD1-CD1 3.86Å
54K93.4Very high93.3Very high57 Ų5744.9 Ų44.925%0.24822%0.221CC..THydrogen-bonded Turntrans-67.5-26.3-166.9-172.4170.1177.3152.80114.3M50 E51 G56 F111M50-K54 PolarHBondContact O-N 3.17Å; E51-K54 VanDerWaalsContact O-CB 3.3Å; E51-K54 WeakPolarHBondContact O-CB 3.5Å; E51-K54 PolarHBondContact O-N 2.8Å; K54-G56 PolarHBondContact O-N 3.28Å; K54-F111 WeakPolarHBondContact CE-O 3.38Å; K54-F111 PolarHBondContact NZ-O 3.42Å
55D92.9Very high93.6Very high61 Ų6138.1 Ų38.133%0.32620%0.203SC..THydrogen-bonded Turntrans-76.5-11.4174.968.83.5000113.3L53 V57 Q83 N86L53-D55 VanDerWaalsContact C-N 3.3Å; L53-D55 PolarHBondContact O-N 3.43Å; D55-V57 HydrophobicContact CB-CG2 4.3Å; D55-V57 PolarHBondContact O-N 3.14Å; D55-V57 PolarHBondContact OD1-N 3.39Å; D55-Q83 HydrophobicContact CB-CG 4.32Å; D55-N86 PolarHBondContact O-ND2 2.95Å
56G93.8Very high93.7Very high0 Ų038.1 Ų38.10%020%0.203CC..SBendtrans70.3-2.1-177.500000114.9L53 K54 C60L53-G56 PolarHBondContact O-N 3.21Å; K54-G56 PolarHBondContact O-N 3.28Å; G56-C60 PolarHBondContact O-N 3.16Å; G56-C60 PolarHBondContact O-SG 3.19Å
57V95.5Very high94Very high11 Ų1139.2 Ų39.27%0.06720%0.198CC..Hα-helixtrans-67.9-52.2-175.8173.50000109.8D55 L59 C60 E61 I74 N75 H76D55-V57 HydrophobicContact CB-CG2 4.3Å; D55-V57 PolarHBondContact O-N 3.14Å; D55-V57 PolarHBondContact OD1-N 3.39Å; V57-L59 PolarHBondContact O-N 2.92Å; V57-C60 PolarHBondContact O-N 3.45Å; V57-C60 VanDerWaalsContact O-N 3.15Å; V57-E61 WeakPolarHBondContact O-CG 3.33Å; V57-E61 PolarHBondContact O-N 3.05Å; V57-I74 HydrophobicContact CB-CG2 4.26Å; V57-I74 HydrophobicContact CG1-CG2 4.02Å; V57-I74 HydrophobicContact CG2-CG2 4.08Å; V57-N75 WeakPolarHBondContact CG2-O 3.46Å; V57-H76 VanDerWaalsContact CG1-CE1 3.44Å; V57-H76 WeakPolarHBondContact CG1-CE1 3.44Å
58L95.6Very high94.3Very high16 Ų1635.2 Ų35.28%0.08419%0.19CC..Hα-helixtrans-61-35.8-179.9-173.961.6000111.7I37 T41 K43 I45 L53 E61 L62I37-L58 HydrophobicContact CG2-CD1 4.44Å; I37-L58 HydrophobicContact CG2-CD2 4.01Å; I37-L58 HydrophobicContact CG2-CG 4.14Å; T41-L58 HydrophobicContact CG2-CD1 4.09Å; K43-L58 HydrophobicContact CB-CD1 4.01Å; K43-L58 HydrophobicContact CD-CD1 4.02Å; K43-L58 HydrophobicContact CG-CD1 4.5Å; I45-L58 HydrophobicContact CD1-CD2 4.05Å; I45-L58 HydrophobicContact CG1-CD2 3.69Å; L53-L58 HydrophobicContact CD2-CB 4.37Å; L53-L58 HydrophobicContact CD2-CD2 3.87Å; L53-L58 HydrophobicContact CD2-CG 4.32Å; L58-E61 PolarHBondContact O-N 2.97Å; L58-L62 VanDerWaalsContact O-CB 3.31Å; L58-L62 WeakPolarHBondContact O-CB 3.3Å; L58-L62 PolarHBondContact O-N 3.42Å
59L96.4Very high94.4Very high0 Ų034.1 Ų34.10%020%0.197CC..Hα-helixtrans-65.1-45.6175.9-68178.6000112L53 V57 E61 L62 I63 F90 F105 L110 L123L53-L59 HydrophobicContact CB-CD1 4.49Å; L53-L59 HydrophobicContact CB-CG 4.44Å; L53-L59 HydrophobicContact CD1-CD2 4.48Å; L53-L59 HydrophobicContact CD2-CD2 3.85Å; L53-L59 HydrophobicContact CD2-CG 4.13Å; V57-L59 PolarHBondContact O-N 2.92Å; L59-E61 VanDerWaalsContact C-N 3.3Å; L59-E61 PolarHBondContact O-N 2.76Å; L59-L62 WeakPolarHBondContact O-CB 3.49Å; L59-L62 PolarHBondContact O-N 3.28Å; L59-I63 PolarHBondContact O-N 2.94Å; L59-I63 VanDerWaalsContact O-N 3.14Å; L59-F90 VanDerWaalsContact C-CD2 3.49Å; L59-F90 HydrophobicContact CB-CB 4.13Å; L59-F90 HydrophobicContact CB-CD1 4.11Å; L59-F90 HydrophobicContact CB-CD2 3.72Å; L59-F90 HydrophobicContact CB-CE1 4.45Å; L59-F90 HydrophobicContact CB-CE2 4.06Å; L59-F90 HydrophobicContact CB-CG 3.71Å; L59-F90 HydrophobicContact CB-CZ 4.41Å; L59-F90 HydrophobicContact CD1-CD1 4.11Å; L59-F90 HydrophobicContact CD1-CE1 4.36Å; L59-F90 HydrophobicContact CD1-CG 4.48Å; L59-F90 HydrophobicContact CD2-CE1 4.16Å; L59-F90 HydrophobicContact CD2-CE2 4.33Å; L59-F90 HydrophobicContact CD2-CZ 4.01Å; L59-F90 WeakPolarHBondContact O-CD2 3.31Å; L59-F90 WeakPolarHBondContact O-CE2 3.06Å; L59-F105 HydrophobicContact CD1-CZ 4.13Å; L59-L110 HydrophobicContact CD1-CD2 3.61Å; L59-L123 HydrophobicContact CD2-CD2 3.85Å
60C96.7Very high94.5Very high0 Ų035.1 Ų35.10%020%0.204CC..Hα-helixtrans-64.3-37177.6-69.80000112.1G56 V57 I63 N64 V71 I74 N86G56-C60 PolarHBondContact O-N 3.16Å; G56-C60 PolarHBondContact O-SG 3.19Å; V57-C60 PolarHBondContact O-N 3.45Å; V57-C60 VanDerWaalsContact O-N 3.15Å; C60-I63 VanDerWaalsContact O-CG2 3.3Å; C60-I63 WeakPolarHBondContact O-CG2 3.47Å; C60-N64 WeakPolarHBondContact O-CB 3.31Å; C60-N64 PolarHBondContact O-N 3.48Å; C60-N64 VanDerWaalsContact O-N 3.16Å; C60-N64 PolarHBondContact O-ND2 2.96Å; C60-V71 HydrophobicContact CB-CB 4.26Å; C60-V71 HydrophobicContact CB-CG1 4.05Å; C60-V71 HydrophobicContact CB-CG2 4.22Å; C60-I74 HydrophobicContact CB-CD1 3.62Å; C60-I74 HydrophobicContact CB-CG1 3.76Å; C60-I74 HydrophobicContact CB-CG2 4.23Å; C60-N86 PolarHBondContact SG-O 3.17Å
61E95.8Very high94.6Very high40 Ų4035.2 Ų35.219%0.18721%0.205CC..Hα-helixtrans-69.1-42.9175.8-69.3173.2156.600111.8K43 V57 L58 L59 I63 N64 V65 I74K43-E61 VanDerWaalsContact CD-OE2 3.3Å; K43-E61 WeakPolarHBondContact CD-OE2 3.4Å; K43-E61 WeakPolarHBondContact CE-OE2 3.35Å; K43-E61 IonicContact NZ-OE1 2.63Å; K43-E61 PolarHBondContact NZ-OE1 2.76Å; K43-E61 IonicContact NZ-OE2 2.61Å; K43-E61 PolarHBondContact NZ-OE2 3.38Å; V57-E61 WeakPolarHBondContact O-CG 3.33Å; V57-E61 PolarHBondContact O-N 3.05Å; L58-E61 PolarHBondContact O-N 2.97Å; L59-E61 VanDerWaalsContact C-N 3.3Å; L59-E61 PolarHBondContact O-N 2.76Å; E61-I63 PolarHBondContact O-N 3Å; E61-N64 WeakPolarHBondContact O-CB 3.38Å; E61-N64 PolarHBondContact O-N 3.04Å; E61-N64 VanDerWaalsContact O-N 3.12Å; E61-V65 WeakPolarHBondContact O-CG2 3.13Å; E61-V65 PolarHBondContact O-N 3.47Å; E61-I74 HydrophobicContact CG-CD1 3.77Å
62L96.2Very high94.6Very high1 Ų140.9 Ų40.91%0.00522%0.221CC..Hα-helixtrans-52.7-52.6175.2174.866.6000111.4W36 I37 V40 T41 L58 L59 N64 V65 L66 L123 L126W36-L62 HydrophobicContact CH2-CD1 4.08Å; W36-L62 HydrophobicContact CH2-CD2 4.46Å; W36-L62 HydrophobicContact CZ3-CD1 4.01Å; W36-L62 HydrophobicContact CZ3-CD2 4Å; I37-L62 HydrophobicContact CD1-CD2 4.38Å; I37-L62 HydrophobicContact CG1-CD2 4.14Å; V40-L62 HydrophobicContact CB-CD1 3.9Å; V40-L62 HydrophobicContact CG1-CD1 3.59Å; V40-L62 HydrophobicContact CG2-CD1 4.47Å; T41-L62 HydrophobicContact CG2-CB 3.9Å; T41-L62 HydrophobicContact CG2-CD1 3.95Å; L58-L62 VanDerWaalsContact O-CB 3.31Å; L58-L62 WeakPolarHBondContact O-CB 3.3Å; L58-L62 PolarHBondContact O-N 3.42Å; L59-L62 WeakPolarHBondContact O-CB 3.49Å; L59-L62 PolarHBondContact O-N 3.28Å; L62-N64 VanDerWaalsContact C-N 3.29Å; L62-N64 PolarHBondContact O-N 3.46Å; L62-V65 PolarHBondContact O-N 3.46Å; L62-L66 HydrophobicContact CD1-CD1 4.43Å; L62-L66 HydrophobicContact CG-CD1 4.39Å; L62-L66 WeakPolarHBondContact O-CG 3.46Å; L62-L66 PolarHBondContact O-N 3.03Å; L62-L66 VanDerWaalsContact O-N 3.08Å; L62-L123 HydrophobicContact CD2-CD2 4.43Å; L62-L126 HydrophobicContact CD2-CD2 4.09Å
63I96.6Very high94.6Very high0 Ų046.2 Ų46.20%024%0.24CC..Hα-helixtrans-69-28.8-179.2-165.954.6000112.6L59 C60 E61 L66 Q67 V71 F90 A93 I94 Y97 L126L59-I63 PolarHBondContact O-N 2.94Å; L59-I63 VanDerWaalsContact O-N 3.14Å; C60-I63 VanDerWaalsContact O-CG2 3.3Å; C60-I63 WeakPolarHBondContact O-CG2 3.47Å; E61-I63 PolarHBondContact O-N 3Å; I63-L66 HydrophobicContact CD1-CB 4.35Å; I63-L66 HydrophobicContact CD1-CD1 4.43Å; I63-L66 PolarHBondContact O-N 3.32Å; I63-Q67 CarbonylContact O-C 3.54Å; I63-Q67 PolarHBondContact O-N 3.26Å; I63-Q67 VanDerWaalsContact O-O 3.08Å; I63-V71 HydrophobicContact CG2-CG2 3.77Å; I63-F90 HydrophobicContact CB-CD2 4Å; I63-F90 HydrophobicContact CB-CE2 4.03Å; I63-F90 HydrophobicContact CG2-CD2 3.87Å; I63-F90 HydrophobicContact CG2-CE2 4.41Å; I63-A93 HydrophobicContact CB-CB 4.49Å; I63-A93 HydrophobicContact CG1-CB 3.78Å; I63-A93 HydrophobicContact CG2-CB 3.96Å; I63-I94 HydrophobicContact CD1-CG2 4.02Å; I63-I94 HydrophobicContact CG1-CG2 4.22Å; I63-Y97 HydrophobicContact CD1-CD1 4.49Å; I63-Y97 HydrophobicContact CD1-CD2 4.07Å; I63-Y97 HydrophobicContact CD1-CG 3.99Å; I63-L126 HydrophobicContact CD1-CD1 4.24Å
64N96.1Very high94.6Very high39 Ų3948 Ų4821%0.20925%0.249CC..Hα-helixtrans-70.8-29.8174.1-85.3-18.3000113C60 E61 L62 Q67 P68 S70 V71C60-N64 WeakPolarHBondContact O-CB 3.31Å; C60-N64 PolarHBondContact O-N 3.48Å; C60-N64 VanDerWaalsContact O-N 3.16Å; C60-N64 PolarHBondContact O-ND2 2.96Å; E61-N64 WeakPolarHBondContact O-CB 3.38Å; E61-N64 PolarHBondContact O-N 3.04Å; E61-N64 VanDerWaalsContact O-N 3.12Å; L62-N64 VanDerWaalsContact C-N 3.29Å; L62-N64 PolarHBondContact O-N 3.46Å; N64-Q67 CarbonylContact O-C 3.59Å; N64-P68 VanDerWaalsContact O-CA 3.26Å; N64-P68 WeakPolarHBondContact O-CA 3.47Å; N64-S70 PolarHBondContact OD1-N 2.83Å; N64-V71 PolarHBondContact ND2-O 3.36Å; N64-V71 PolarHBondContact OD1-N 2.86Å; N64-V71 PolarHBondContact OD1-O 3.05Å
65V95.4Very high94.7Very high68 Ų6845.9 Ų45.941%0.41224%0.24SC..Hα-helixtrans-70.9-44.3170.6174.80000110.5V40 E61 L62V40-V65 HydrophobicContact CG1-CB 4.12Å; V40-V65 HydrophobicContact CG1-CG1 3.74Å; V40-V65 WeakPolarHBondContact O-CG1 3.43Å; E61-V65 WeakPolarHBondContact O-CG2 3.13Å; E61-V65 PolarHBondContact O-N 3.47Å; L62-V65 PolarHBondContact O-N 3.46Å
66L94.2Very high94.7Very high17 Ų1749.4 Ų49.49%0.08926%0.255CS..Hα-helixtrans-68.8-35.8-179.7-65.4177.9000113.2W36 V40 L62 I63 Y97 L126 A130 F135W36-L66 HydrophobicContact CH2-CD1 4.08Å; W36-L66 HydrophobicContact CZ2-CD2 4.48Å; V40-L66 HydrophobicContact CG1-CD2 3.99Å; V40-L66 HydrophobicContact CG1-CG 4.36Å; L62-L66 HydrophobicContact CD1-CD1 4.43Å; L62-L66 HydrophobicContact CG-CD1 4.39Å; L62-L66 WeakPolarHBondContact O-CG 3.46Å; L62-L66 PolarHBondContact O-N 3.03Å; L62-L66 VanDerWaalsContact O-N 3.08Å; I63-L66 HydrophobicContact CD1-CB 4.35Å; I63-L66 HydrophobicContact CD1-CD1 4.43Å; I63-L66 PolarHBondContact O-N 3.32Å; L66-Y97 HydrophobicContact CB-CE2 4.28Å; L66-L126 HydrophobicContact CD1-CD1 4.13Å; L66-L126 HydrophobicContact CD1-CD2 4.13Å; L66-L126 HydrophobicContact CD1-CG 4.04Å; L66-A130 HydrophobicContact CD1-CB 4.29Å; L66-A130 HydrophobicContact CD2-CB 3.93Å; L66-F135 HydrophobicContact CD2-CD1 3.89Å; L66-F135 HydrophobicContact CD2-CD2 3.87Å; L66-F135 HydrophobicContact CD2-CE1 4Å; L66-F135 HydrophobicContact CD2-CE2 3.97Å; L66-F135 HydrophobicContact CD2-CG 3.83Å; L66-F135 HydrophobicContact CD2-CZ 4.03Å
67Q93.7Very high94.6Very high61 Ų6152.1 Ų52.129%0.28527%0.274SS..SBendtrans-144.6101.3176.5-178176.8-75.900109I63 N64 G69 S70 Y97I63-Q67 CarbonylContact O-C 3.54Å; I63-Q67 PolarHBondContact O-N 3.26Å; I63-Q67 VanDerWaalsContact O-O 3.08Å; N64-Q67 CarbonylContact O-C 3.59Å; Q67-G69 PolarHBondContact O-N 3.48Å; Q67-S70 VanDerWaalsContact CB-OG 3.31Å; Q67-S70 WeakPolarHBondContact CB-OG 3.34Å; Q67-S70 WeakPolarHBondContact CG-OG 3.39Å; Q67-S70 PolarHBondContact NE2-OG 3.3Å; Q67-S70 WeakPolarHBondContact O-CB 3.19Å; Q67-S70 PolarHBondContact O-N 2.96Å; Q67-S70 PolarHBondContact O-OG 3.11Å; Q67-Y97 HydrophobicContact CB-CD2 3.77Å; Q67-Y97 HydrophobicContact CB-CE2 3.76Å; Q67-Y97 HydrophobicContact CG-CD2 4.41Å; Q67-Y97 VanDerWaalsContact OE1-CD2 3.31Å
68P94.1Very high94.3Very high114 Ų11456.7 Ų56.774%0.7431%0.306SS*.THydrogen-bonded Turntrans-54.8132.4-179.6-27.935.6000112.5N64N64-P68 VanDerWaalsContact O-CA 3.26Å; N64-P68 WeakPolarHBondContact O-CA 3.47Å
69G92.6Very high94.1Very high59 Ų5960.7 Ų60.761%0.60832%0.324SS*.THydrogen-bonded Turntrans84.94.617700000115.6Q67 V71Q67-G69 PolarHBondContact O-N 3.48Å; G69-V71 PolarHBondContact O-N 3.23Å
70S94Very high93.9Very high21 Ų2164.1 Ų64.115%0.14734%0.343CS..SBendtrans-56.6-43.4175.5-69.80000113.8N64 Q67N64-S70 PolarHBondContact OD1-N 2.83Å; Q67-S70 VanDerWaalsContact CB-OG 3.31Å; Q67-S70 WeakPolarHBondContact CB-OG 3.34Å; Q67-S70 WeakPolarHBondContact CG-OG 3.39Å; Q67-S70 PolarHBondContact NE2-OG 3.3Å; Q67-S70 WeakPolarHBondContact O-CB 3.19Å; Q67-S70 PolarHBondContact O-N 2.96Å; Q67-S70 PolarHBondContact O-OG 3.11Å
71V95.1Very high93.8Very high9 Ų970.8 Ų70.86%0.05537%0.368CS..  trans-120.8113.2176.5-179.50000108.8C60 I63 N64 G69 K73 I74 N89 A93C60-V71 HydrophobicContact CB-CB 4.26Å; C60-V71 HydrophobicContact CB-CG1 4.05Å; C60-V71 HydrophobicContact CB-CG2 4.22Å; I63-V71 HydrophobicContact CG2-CG2 3.77Å; N64-V71 PolarHBondContact ND2-O 3.36Å; N64-V71 PolarHBondContact OD1-N 2.86Å; N64-V71 PolarHBondContact OD1-O 3.05Å; G69-V71 PolarHBondContact O-N 3.23Å; V71-K73 WeakPolarHBondContact CG1-O 2.97Å; V71-I74 HydrophobicContact CG1-CG1 4Å; V71-N89 HydrophobicContact CG1-CB 4.11Å; V71-N89 HydrophobicContact CG2-CB 4.35Å; V71-A93 HydrophobicContact CG2-CB 4.03Å
72R91.1Very high93.7Very high251 Ų25169.8 Ų69.895%0.94736%0.363SS*.SBendtrans-74.3-37.3-173.7-61.9177.9115.7178.22.9113.7
73K93.1Very high93.6Very high146 Ų14671.6 Ų71.664%0.63537%0.372SS*.  trans-136.4128.8-176.6-175.7-174.6175.2-164.60109V71 N75V71-K73 WeakPolarHBondContact CG1-O 2.97Å; K73-N75 WeakPolarHBondContact CE-OD1 3.33Å
74I95.4Very high93.5Very high37 Ų3774.2 Ų74.219%0.1939%0.385CS..  trans-112.8128.8176.6-53.7178.4000107.4V57 C60 E61 V71V57-I74 HydrophobicContact CB-CG2 4.26Å; V57-I74 HydrophobicContact CG1-CG2 4.02Å; V57-I74 HydrophobicContact CG2-CG2 4.08Å; C60-I74 HydrophobicContact CB-CD1 3.62Å; C60-I74 HydrophobicContact CB-CG1 3.76Å; C60-I74 HydrophobicContact CB-CG2 4.23Å; E61-I74 HydrophobicContact CG-CD1 3.77Å; V71-I74 HydrophobicContact CG1-CG1 4Å
75N94.6Very high93.5Very high12 Ų1276.4 Ų76.46%0.06439%0.394CS..  trans-93.6128.9179.5-59.2-56.7000109.8V57 K73 H82 E85 N86V57-N75 WeakPolarHBondContact CG2-O 3.46Å; K73-N75 WeakPolarHBondContact CE-OD1 3.33Å; N75-H82 HydrophobicContact CB-CB 3.81Å; N75-H82 VanDerWaalsContact CG-CD2 3.45Å; N75-E85 PolarHBondContact ND2-OE2 3.23Å; N75-N86 PolarHBondContact N-OD1 2.83Å; N75-N86 PolarHBondContact O-ND2 2.93Å
76H92.8Very high93.5Very high136 Ų13673.2 Ų73.263%0.6338%0.375SS*.  trans-1045.6179.2-64.3-83000113.7V57V57-H76 VanDerWaalsContact CG1-CE1 3.44Å; V57-H76 WeakPolarHBondContact CG1-CE1 3.44Å
77S91.3Very high93.6Very high57 Ų5772.4 Ų72.440%0.39937%0.371SS..  trans-72.1144.5-179.4-58.90000111.2Q79 H82S77-Q79 PolarHBondContact O-N 3.41Å; S77-H82 WeakPolarHBondContact CB-ND1 3.42Å
78S89.3Confident93.7Very high107 Ų10771 Ų7175%0.74837%0.373SS*.  trans-73.28.7176.358.90000114.8
79Q92Very high93.9Very high99 Ų9966.7 Ų66.746%0.46334%0.344SS..  trans-80.1132.6-178.7-56.8-169.4-64.700110.9S77 W81 H82 Q83S77-Q79 PolarHBondContact O-N 3.41Å; Q79-W81 PolarHBondContact O-N 3.08Å; Q79-W81 VanDerWaalsContact O-N 3.11Å; Q79-H82 WeakPolarHBondContact O-CB 3.41Å; Q79-H82 PolarHBondContact O-N 3.07Å; Q79-H82 PolarHBondContact OE1-CE1 3.11Å; Q79-H82 VanDerWaalsContact OE1-CE1 3.23Å; Q79-H82 PolarHBondContact OE1-ND1 3.24Å; Q79-Q83 PolarHBondContact O-N 3.05Å
80N92.8Very high94.1Very high72 Ų7264 Ų6439%0.38532%0.315SS..Hα-helixtrans-49.9-41.4-177.7-64.55.5000114.1H82 Q83 L84 F111N80-H82 VanDerWaalsContact C-N 3.35Å; N80-H82 PolarHBondContact O-N 3.29Å; N80-Q83 PolarHBondContact O-N 3.29Å; N80-L84 PolarHBondContact O-N 3.4Å; N80-F111 HydrophobicContact CB-CE2 4.31Å; N80-F111 HydrophobicContact CB-CZ 3.69Å
81W93.1Very high94.2Very high140 Ų14064.4 Ų64.453%0.5332%0.316SS..Hα-helixtrans-69-32.4-178.669.8-93.5000112.6Q79 E85Q79-W81 PolarHBondContact O-N 3.08Å; Q79-W81 VanDerWaalsContact O-N 3.11Å; W81-E85 WeakPolarHBondContact O-CB 3.31Å; W81-E85 PolarHBondContact O-N 2.86Å
82H94Very high94.3Very high20 Ų2070.9 Ų70.99%0.09334%0.34CS..Hα-helixtrans-68.5-38.7174.3-75.5131.7000111.4N75 S77 Q79 N80 E85 N86N75-H82 HydrophobicContact CB-CB 3.81Å; N75-H82 VanDerWaalsContact CG-CD2 3.45Å; S77-H82 WeakPolarHBondContact CB-ND1 3.42Å; Q79-H82 WeakPolarHBondContact O-CB 3.41Å; Q79-H82 PolarHBondContact O-N 3.07Å; Q79-H82 PolarHBondContact OE1-CE1 3.11Å; Q79-H82 VanDerWaalsContact OE1-CE1 3.23Å; Q79-H82 PolarHBondContact OE1-ND1 3.24Å; N80-H82 VanDerWaalsContact C-N 3.35Å; N80-H82 PolarHBondContact O-N 3.29Å; H82-E85 PolarHBondContact O-N 3.16Å; H82-N86 VanDerWaalsContact O-CG 3.27Å; H82-N86 PolarHBondContact O-N 3.18Å; H82-N86 PolarHBondContact O-ND2 3.02Å
83Q94Very high94.5Very high38 Ų3859 Ų5918%0.17830%0.295CS..Hα-helixtrans-64.5-47.1176.1-62.4-178.8-18.100110.8D55 Q79 N80 E85 N86 I87 F111D55-Q83 HydrophobicContact CB-CG 4.32Å; Q79-Q83 PolarHBondContact O-N 3.05Å; N80-Q83 PolarHBondContact O-N 3.29Å; Q83-E85 VanDerWaalsContact C-N 3.32Å; Q83-E85 PolarHBondContact O-N 3.49Å; Q83-N86 PolarHBondContact O-N 2.95Å; Q83-I87 WeakPolarHBondContact O-CG1 3.48Å; Q83-I87 PolarHBondContact O-N 3.46Å; Q83-F111 HydrophobicContact CB-CD2 4.27Å; Q83-F111 HydrophobicContact CB-CE2 4.07Å
84L94.4Very high94.7Very high55 Ų5552 Ų5229%0.28827%0.265SS..Hα-helixtrans-59.9-40.3173.8-78.9168.6000112.4N80 I87 G88 A107 F111N80-L84 PolarHBondContact O-N 3.4Å; L84-I87 PolarHBondContact O-N 3.49Å; L84-G88 PolarHBondContact O-N 3.27Å; L84-A107 HydrophobicContact CD2-CB 4.11Å; L84-F111 HydrophobicContact CD1-CD1 4.22Å; L84-F111 HydrophobicContact CD1-CE1 4.22Å; L84-F111 HydrophobicContact CD2-CB 3.69Å; L84-F111 HydrophobicContact CD2-CD1 3.84Å; L84-F111 HydrophobicContact CD2-CD2 4.23Å; L84-F111 HydrophobicContact CD2-CG 3.64Å; L84-F111 HydrophobicContact CG-CB 4.47Å; L84-F111 HydrophobicContact CG-CD1 4.03Å; L84-F111 HydrophobicContact CG-CD2 4.1Å; L84-F111 HydrophobicContact CG-CE1 4.34Å; L84-F111 HydrophobicContact CG-CE2 4.38Å; L84-F111 HydrophobicContact CG-CG 3.92Å
85E95.9Very high94.7Very high85 Ų8553.3 Ų53.340%0.39728%0.275SS..Hα-helixtrans-63.6-43.2176.8-172.6-179-165.800111.9N75 W81 H82 Q83 G88 N89N75-E85 PolarHBondContact ND2-OE2 3.23Å; W81-E85 WeakPolarHBondContact O-CB 3.31Å; W81-E85 PolarHBondContact O-N 2.86Å; H82-E85 PolarHBondContact O-N 3.16Å; Q83-E85 VanDerWaalsContact C-N 3.32Å; Q83-E85 PolarHBondContact O-N 3.49Å; E85-G88 PolarHBondContact O-N 2.83Å; E85-N89 WeakPolarHBondContact O-CB 3.37Å; E85-N89 PolarHBondContact O-N 3.24Å; E85-N89 PolarHBondContact O-ND2 2.87Å
86N96.6Very high94.7Very high2 Ų258.7 Ų58.71%0.01130%0.3CS..Hα-helixtrans-60.4-48.1175.3-69.8-20.4000111.5D55 C60 N75 H82 Q83 G88 N89 F90D55-N86 PolarHBondContact O-ND2 2.95Å; C60-N86 PolarHBondContact SG-O 3.17Å; N75-N86 PolarHBondContact N-OD1 2.83Å; N75-N86 PolarHBondContact O-ND2 2.93Å; H82-N86 VanDerWaalsContact O-CG 3.27Å; H82-N86 PolarHBondContact O-N 3.18Å; H82-N86 PolarHBondContact O-ND2 3.02Å; Q83-N86 PolarHBondContact O-N 2.95Å; N86-G88 VanDerWaalsContact C-N 3.32Å; N86-G88 PolarHBondContact O-N 3.37Å; N86-N89 WeakPolarHBondContact O-CB 3.46Å; N86-N89 PolarHBondContact O-N 3.45Å; N86-F90 PolarHBondContact O-N 3.33Å
87I96.4Very high94.8Very high0 Ų052.6 Ų52.60%027%0.271CS..Hα-helixtrans-62-43.2178.6-60.5165000110.3Q83 L84 N89 F90 V91 F105 A107 L110 F111Q83-I87 WeakPolarHBondContact O-CG1 3.48Å; Q83-I87 PolarHBondContact O-N 3.46Å; L84-I87 PolarHBondContact O-N 3.49Å; I87-N89 VanDerWaalsContact C-N 3.34Å; I87-N89 PolarHBondContact O-N 3.32Å; I87-F90 WeakPolarHBondContact O-CB 3.43Å; I87-F90 PolarHBondContact O-N 2.89Å; I87-V91 HydrophobicContact CG2-CG2 4.44Å; I87-V91 WeakPolarHBondContact O-CG2 3.04Å; I87-V91 PolarHBondContact O-N 3.36Å; I87-F105 HydrophobicContact CG2-CE2 3.65Å; I87-F105 HydrophobicContact CG2-CZ 4.05Å; I87-A107 HydrophobicContact CB-CB 4.26Å; I87-A107 HydrophobicContact CG2-CB 3.86Å; I87-L110 HydrophobicContact CD1-CB 4.47Å; I87-L110 HydrophobicContact CD1-CD2 4.18Å; I87-L110 HydrophobicContact CD1-CG 4.38Å; I87-L110 HydrophobicContact CG1-CD2 4.35Å; I87-F111 HydrophobicContact CD1-CB 4.14Å
88G96.1Very high94.9Very high31 Ų3151.9 Ų51.932%0.3227%0.273SS..Hα-helixtrans-61.8-39.8175.700000113.1L84 E85 N86 V91 R92L84-G88 PolarHBondContact O-N 3.27Å; E85-G88 PolarHBondContact O-N 2.83Å; N86-G88 VanDerWaalsContact C-N 3.32Å; N86-G88 PolarHBondContact O-N 3.37Å; G88-V91 PolarHBondContact O-N 3.07Å; G88-R92 PolarHBondContact O-N 3.35Å
89N96.7Very high95.1Very high24 Ų2447.1 Ų47.113%0.12824%0.239CC..Hα-helixtrans-63.5-41.9174.8-74.7-29.9000111.6V71 E85 N86 I87 R92 A93V71-N89 HydrophobicContact CG1-CB 4.11Å; V71-N89 HydrophobicContact CG2-CB 4.35Å; E85-N89 WeakPolarHBondContact O-CB 3.37Å; E85-N89 PolarHBondContact O-N 3.24Å; E85-N89 PolarHBondContact O-ND2 2.87Å; N86-N89 WeakPolarHBondContact O-CB 3.46Å; N86-N89 PolarHBondContact O-N 3.45Å; I87-N89 VanDerWaalsContact C-N 3.34Å; I87-N89 PolarHBondContact O-N 3.32Å; N89-R92 PolarHBondContact O-N 3.48Å; N89-R92 PolarHBondContact OD1-NH2 2.93Å; N89-A93 WeakPolarHBondContact O-CB 3.48Å; N89-A93 PolarHBondContact O-N 3.05Å
90F97.3Very high95.1Very high1 Ų147.4 Ų47.40%0.00424%0.239CC..Hα-helixtrans-61.8-47.6173.7172.2-101.4000112.1L59 I63 N86 I87 R92 A93 I94 F105 L123 L126L59-F90 VanDerWaalsContact C-CD2 3.49Å; L59-F90 HydrophobicContact CB-CB 4.13Å; L59-F90 HydrophobicContact CB-CD1 4.11Å; L59-F90 HydrophobicContact CB-CD2 3.72Å; L59-F90 HydrophobicContact CB-CE1 4.45Å; L59-F90 HydrophobicContact CB-CE2 4.06Å; L59-F90 HydrophobicContact CB-CG 3.71Å; L59-F90 HydrophobicContact CB-CZ 4.41Å; L59-F90 HydrophobicContact CD1-CD1 4.11Å; L59-F90 HydrophobicContact CD1-CE1 4.36Å; L59-F90 HydrophobicContact CD1-CG 4.48Å; L59-F90 HydrophobicContact CD2-CE1 4.16Å; L59-F90 HydrophobicContact CD2-CE2 4.33Å; L59-F90 HydrophobicContact CD2-CZ 4.01Å; L59-F90 WeakPolarHBondContact O-CD2 3.31Å; L59-F90 WeakPolarHBondContact O-CE2 3.06Å; I63-F90 HydrophobicContact CB-CD2 4Å; I63-F90 HydrophobicContact CB-CE2 4.03Å; I63-F90 HydrophobicContact CG2-CD2 3.87Å; I63-F90 HydrophobicContact CG2-CE2 4.41Å; N86-F90 PolarHBondContact O-N 3.33Å; I87-F90 WeakPolarHBondContact O-CB 3.43Å; I87-F90 PolarHBondContact O-N 2.89Å; F90-R92 VanDerWaalsContact C-N 3.31Å; F90-R92 PolarHBondContact O-N 3.47Å; F90-A93 WeakPolarHBondContact O-CB 3.45Å; F90-A93 PolarHBondContact O-N 3.37Å; F90-I94 HydrophobicContact CD1-CD1 4.28Å; F90-I94 HydrophobicContact CD1-CG2 4.42Å; F90-I94 HydrophobicContact CD2-CG2 4.01Å; F90-I94 HydrophobicContact CE1-CD1 3.77Å; F90-I94 HydrophobicContact CE1-CG2 3.93Å; F90-I94 HydrophobicContact CE2-CG2 3.52Å; F90-I94 HydrophobicContact CG-CG2 4.46Å; F90-I94 HydrophobicContact CZ-CD1 4.29Å; F90-I94 HydrophobicContact CZ-CG2 3.49Å; F90-I94 VanDerWaalsContact CZ-CG2 3.49Å; F90-I94 WeakPolarHBondContact O-CG1 3.14Å; F90-I94 PolarHBondContact O-N 3.27Å; F90-F105 HydrophobicContact CD1-CE1 4.16Å; F90-F105 HydrophobicContact CD1-CZ 4.1Å; F90-F105 AromaticContact CE1-CE1 3.75Å; F90-F105 HydrophobicContact CE1-CE1 3.75Å; F90-F105 HydrophobicContact CE1-CZ 4.12Å; F90-L123 HydrophobicContact CE1-CD2 4.45Å; F90-L123 HydrophobicContact CZ-CD2 4Å; F90-L126 HydrophobicContact CE2-CD2 4.11Å; F90-L126 HydrophobicContact CZ-CD2 3.87Å
91V96.7Very high95Very high30 Ų3049.2 Ų49.218%0.18225%0.254CS..Hα-helixtrans-56.7-43.8178165.60000111.5I87 G88 I94 T95 I104 F105I87-V91 HydrophobicContact CG2-CG2 4.44Å; I87-V91 WeakPolarHBondContact O-CG2 3.04Å; I87-V91 PolarHBondContact O-N 3.36Å; G88-V91 PolarHBondContact O-N 3.07Å; V91-I94 VanDerWaalsContact O-CG1 3.23Å; V91-I94 WeakPolarHBondContact O-CG1 3.49Å; V91-T95 PolarHBondContact O-N 2.74Å; V91-T95 PolarHBondContact O-OG1 3.36Å; V91-I104 HydrophobicContact CG1-CG2 3.7Å; V91-F105 HydrophobicContact CG2-CE2 4.38Å; V91-F105 HydrophobicContact CG2-CZ 4.4Å; V91-F105 WeakPolarHBondContact CG2-O 3.31Å
92R96Very high94.9Very high145 Ų14548.4 Ų48.455%0.54726%0.256SS..Hα-helixtrans-63.3-45.5174-177.2173.161.1-141.5-10.6111.5G88 N89 F90 I94 T95 E96G88-R92 PolarHBondContact O-N 3.35Å; N89-R92 PolarHBondContact O-N 3.48Å; N89-R92 PolarHBondContact OD1-NH2 2.93Å; F90-R92 VanDerWaalsContact C-N 3.31Å; F90-R92 PolarHBondContact O-N 3.47Å; R92-I94 PolarHBondContact O-N 2.92Å; R92-T95 WeakPolarHBondContact O-CB 3.38Å; R92-T95 PolarHBondContact O-N 3.37Å; R92-E96 PolarHBondContact O-N 2.94Å
93A96.6Very high94.8Very high1 Ų149.5 Ų49.51%0.00826%0.262CS..Hα-helixtrans-62.3-41.9-17900000113.2I63 V71 N89 F90 T95 E96 Y97I63-A93 HydrophobicContact CB-CB 4.49Å; I63-A93 HydrophobicContact CG1-CB 3.78Å; I63-A93 HydrophobicContact CG2-CB 3.96Å; V71-A93 HydrophobicContact CG2-CB 4.03Å; N89-A93 WeakPolarHBondContact O-CB 3.48Å; N89-A93 PolarHBondContact O-N 3.05Å; F90-A93 WeakPolarHBondContact O-CB 3.45Å; F90-A93 PolarHBondContact O-N 3.37Å; A93-T95 VanDerWaalsContact C-N 3.31Å; A93-T95 PolarHBondContact O-N 2.91Å; A93-E96 PolarHBondContact O-N 3.24Å; A93-Y97 WeakPolarHBondContact O-CB 3.47Å; A93-Y97 PolarHBondContact O-N 3.48Å
94I96.4Very high94.9Very high0 Ų048.8 Ų48.80%026%0.26CS..Hα-helixtrans-70.8-28.5177.263.4175.7000112.5I63 F90 V91 R92 Y97 G98 L99 I104 L126I63-I94 HydrophobicContact CD1-CG2 4.02Å; I63-I94 HydrophobicContact CG1-CG2 4.22Å; F90-I94 HydrophobicContact CD1-CD1 4.28Å; F90-I94 HydrophobicContact CD1-CG2 4.42Å; F90-I94 HydrophobicContact CD2-CG2 4.01Å; F90-I94 HydrophobicContact CE1-CD1 3.77Å; F90-I94 HydrophobicContact CE1-CG2 3.93Å; F90-I94 HydrophobicContact CE2-CG2 3.52Å; F90-I94 HydrophobicContact CG-CG2 4.46Å; F90-I94 HydrophobicContact CZ-CD1 4.29Å; F90-I94 HydrophobicContact CZ-CG2 3.49Å; F90-I94 VanDerWaalsContact CZ-CG2 3.49Å; F90-I94 WeakPolarHBondContact O-CG1 3.14Å; F90-I94 PolarHBondContact O-N 3.27Å; V91-I94 VanDerWaalsContact O-CG1 3.23Å; V91-I94 WeakPolarHBondContact O-CG1 3.49Å; R92-I94 PolarHBondContact O-N 2.92Å; I94-Y97 WeakPolarHBondContact O-CB 3.48Å; I94-Y97 PolarHBondContact O-N 3.21Å; I94-G98 PolarHBondContact O-N 2.84Å; I94-L99 HydrophobicContact CB-CD1 4.38Å; I94-L99 HydrophobicContact CB-CD2 4.27Å; I94-L99 HydrophobicContact CD1-CD2 4.19Å; I94-L99 WeakPolarHBondContact O-CB 3.35Å; I94-L99 PolarHBondContact O-N 3.23Å; I94-L99 VanDerWaalsContact O-N 3.12Å; I94-I104 HydrophobicContact CD1-CG1 4.12Å; I94-I104 HydrophobicContact CD1-CG2 4.1Å; I94-I104 HydrophobicContact CG1-CD1 4.31Å; I94-I104 HydrophobicContact CG1-CG1 4.38Å; I94-L126 HydrophobicContact CB-CD1 4.48Å; I94-L126 HydrophobicContact CG2-CD1 3.98Å; I94-L126 HydrophobicContact CG2-CD2 3.99Å
95T95.6Very high95Very high65 Ų6546.3 Ų46.340%0.39925%0.246SC..Hα-helixtrans-63.3-48.9171.5-53.20000110V91 R92 A93 Y97 G98 I104V91-T95 PolarHBondContact O-N 2.74Å; V91-T95 PolarHBondContact O-OG1 3.36Å; R92-T95 WeakPolarHBondContact O-CB 3.38Å; R92-T95 PolarHBondContact O-N 3.37Å; A93-T95 VanDerWaalsContact C-N 3.31Å; A93-T95 PolarHBondContact O-N 2.91Å; T95-Y97 VanDerWaalsContact C-N 3.26Å; T95-Y97 PolarHBondContact O-N 3.45Å; T95-G98 PolarHBondContact O-N 3.43Å; T95-I104 HydrophobicContact CG2-CD1 4.33Å; T95-I104 WeakPolarHBondContact OG1-CD1 3.45Å
96E95.2Very high94.9Very high125 Ų12548.4 Ų48.458%0.58426%0.256SS*.Hα-helixtrans-65.7-30.2175.6-69.5175-163.900112.3R92 A93 G98R92-E96 PolarHBondContact O-N 2.94Å; A93-E96 PolarHBondContact O-N 3.24Å; E96-G98 PolarHBondContact O-N 2.79Å
97Y94.6Very high94.7Very high7 Ų749.6 Ų49.63%0.02727%0.266CS..Hα-helixtrans-65.9-18.7173.4-164.1-108.6000112.6I63 L66 Q67 A93 I94 T95 L99 L126 M129 A130 K133I63-Y97 HydrophobicContact CD1-CD1 4.49Å; I63-Y97 HydrophobicContact CD1-CD2 4.07Å; I63-Y97 HydrophobicContact CD1-CG 3.99Å; L66-Y97 HydrophobicContact CB-CE2 4.28Å; Q67-Y97 HydrophobicContact CB-CD2 3.77Å; Q67-Y97 HydrophobicContact CB-CE2 3.76Å; Q67-Y97 HydrophobicContact CG-CD2 4.41Å; Q67-Y97 VanDerWaalsContact OE1-CD2 3.31Å; A93-Y97 WeakPolarHBondContact O-CB 3.47Å; A93-Y97 PolarHBondContact O-N 3.48Å; I94-Y97 WeakPolarHBondContact O-CB 3.48Å; I94-Y97 PolarHBondContact O-N 3.21Å; T95-Y97 VanDerWaalsContact C-N 3.26Å; T95-Y97 PolarHBondContact O-N 3.45Å; Y97-L99 HydrophobicContact CD1-CD1 4.12Å; Y97-L126 HydrophobicContact CD1-CD1 3.7Å; Y97-L126 HydrophobicContact CE1-CD1 3.99Å; Y97-M129 HydrophobicContact CD1-CB 4.44Å; Y97-M129 HydrophobicContact CD1-CG 3.84Å; Y97-M129 HydrophobicContact CE1-CB 4.29Å; Y97-M129 HydrophobicContact CE1-CG 3.9Å; Y97-A130 HydrophobicContact CE1-CB 4.32Å; Y97-A130 WeakPolarHBondContact OH-CA 3.47Å; Y97-K133 HydrophobicContact CD2-CD 4.4Å; Y97-K133 VanDerWaalsContact CD2-NZ 3.27Å; Y97-K133 HydrophobicContact CE1-CD 4.08Å; Y97-K133 HydrophobicContact CE2-CD 3.77Å; Y97-K133 WeakPolarHBondContact O-CE 3.13Å; Y97-K133 PolarHBondContact O-NZ 3.05Å
98G92.5Very high94.5Very high42 Ų4253 Ų5343%0.43329%0.285SS..THydrogen-bonded Turntrans112.511.117300000114.8I94 T95 E96I94-G98 PolarHBondContact O-N 2.84Å; T95-G98 PolarHBondContact O-N 3.43Å; E96-G98 PolarHBondContact O-N 2.79Å
99L94.1Very high94.4Very high7 Ų752.4 Ų52.44%0.03727%0.274CS..  trans-66.7144169.9-8569.6000109.7I94 Y97 I104 A125 L126 M129I94-L99 HydrophobicContact CB-CD1 4.38Å; I94-L99 HydrophobicContact CB-CD2 4.27Å; I94-L99 HydrophobicContact CD1-CD2 4.19Å; I94-L99 WeakPolarHBondContact O-CB 3.35Å; I94-L99 PolarHBondContact O-N 3.23Å; I94-L99 VanDerWaalsContact O-N 3.12Å; Y97-L99 HydrophobicContact CD1-CD1 4.12Å; L99-I104 HydrophobicContact CB-CD1 3.96Å; L99-I104 HydrophobicContact CB-CG1 3.92Å; L99-I104 HydrophobicContact CD2-CG1 4.47Å; L99-A125 HydrophobicContact CD2-CB 4.33Å; L99-L126 HydrophobicContact CD1-CB 4.42Å; L99-L126 HydrophobicContact CD1-CD1 3.69Å; L99-L126 HydrophobicContact CD2-CB 4.02Å; L99-M129 HydrophobicContact CD1-CB 3.89Å; L99-M129 HydrophobicContact CD1-CG 3.96Å
100K91.6Very high94.2Very high106 Ų10651.2 Ų51.246%0.46127%0.268SS..  trans-77.8145.6178.1-59.4-176.9-172.1170.20109.4H102 D103 I104K100-H102 WeakPolarHBondContact CB-CE1 3.33Å; K100-H102 WeakPolarHBondContact CD-CE1 3.5Å; K100-H102 PolarHBondContact O-N 3.3Å; K100-D103 PolarHBondContact O-N 3.41Å; K100-I104 WeakPolarHBondContact O-CG1 3.44Å
101P91.6Very high94Very high109 Ų10952.5 Ų52.571%0.70827%0.273SS*.G310 helixtrans-55.3-28.4-177.3-28.935.3000115.3D103 I104P101-D103 VanDerWaalsContact C-N 3.33Å; P101-I104 PolarHBondContact O-N 2.93Å
102H90.9Very high93.7Very high124 Ų12456.9 Ų56.957%0.57429%0.292SS*.G310 helixtrans-76-19.1177.953.5-96.7000114.2K100 I104 Q118K100-H102 WeakPolarHBondContact CB-CE1 3.33Å; K100-H102 WeakPolarHBondContact CD-CE1 3.5Å; K100-H102 PolarHBondContact O-N 3.3Å; H102-I104 VanDerWaalsContact C-N 3.34Å; H102-Q118 PolarHBondContact O-NE2 3.5Å
103D92.8Very high93.3Very high42 Ų4253.5 Ų53.523%0.22528%0.284CS..G310 helixtrans-92.4-0.4177.5-63.8-35.7000111.4K100 P101 S122 A125K100-D103 PolarHBondContact O-N 3.41Å; P101-D103 VanDerWaalsContact C-N 3.33Å; D103-S122 WeakPolarHBondContact O-CA 3.45Å; D103-S122 WeakPolarHBondContact O-CB 3.48Å; D103-S122 PolarHBondContact O-OG 3.28Å; D103-A125 HydrophobicContact CB-CB 4.03Å
104I95.2Very high92.9Very high23 Ų2356.8 Ų56.812%0.11831%0.305CS..PPolyproline II helixtrans-99.8139.2-175-64.8176.2000109.5V91 I94 T95 L99 K100 P101 H102 Q118V91-I104 HydrophobicContact CG1-CG2 3.7Å; I94-I104 HydrophobicContact CD1-CG1 4.12Å; I94-I104 HydrophobicContact CD1-CG2 4.1Å; I94-I104 HydrophobicContact CG1-CD1 4.31Å; I94-I104 HydrophobicContact CG1-CG1 4.38Å; T95-I104 HydrophobicContact CG2-CD1 4.33Å; T95-I104 WeakPolarHBondContact OG1-CD1 3.45Å; L99-I104 HydrophobicContact CB-CD1 3.96Å; L99-I104 HydrophobicContact CB-CG1 3.92Å; L99-I104 HydrophobicContact CD2-CG1 4.47Å; K100-I104 WeakPolarHBondContact O-CG1 3.44Å; P101-I104 PolarHBondContact O-N 2.93Å; H102-I104 VanDerWaalsContact C-N 3.34Å; I104-Q118 PolarHBondContact O-NE2 3.3Å
105F96Very high92.6Very high3 Ų358.2 Ų58.21%0.01331%0.312CS..PPolyproline II helixtrans-91.9160.617674.1-92.4000111.7L59 I87 F90 V91 D109 L110 Q118 V119L59-F105 HydrophobicContact CD1-CZ 4.13Å; I87-F105 HydrophobicContact CG2-CE2 3.65Å; I87-F105 HydrophobicContact CG2-CZ 4.05Å; F90-F105 HydrophobicContact CD1-CE1 4.16Å; F90-F105 HydrophobicContact CD1-CZ 4.1Å; F90-F105 AromaticContact CE1-CE1 3.75Å; F90-F105 HydrophobicContact CE1-CE1 3.75Å; F90-F105 HydrophobicContact CE1-CZ 4.12Å; V91-F105 HydrophobicContact CG2-CE2 4.38Å; V91-F105 HydrophobicContact CG2-CZ 4.4Å; V91-F105 WeakPolarHBondContact CG2-O 3.31Å; F105-D109 HydrophobicContact CB-CB 4.42Å; F105-D109 HydrophobicContact CD2-CB 4.29Å; F105-L110 HydrophobicContact CD2-CB 4.44Å; F105-L110 HydrophobicContact CE2-CB 3.91Å; F105-L110 HydrophobicContact CE2-CD2 4.23Å; F105-L110 HydrophobicContact CZ-CD2 4.23Å; F105-Q118 HydrophobicContact CB-CB 4.28Å; F105-Q118 HydrophobicContact CB-CG 3.67Å; F105-V119 HydrophobicContact CB-CG2 4.24Å; F105-V119 HydrophobicContact CD1-CG1 4.43Å; F105-V119 HydrophobicContact CD1-CG2 4.39Å; F105-V119 HydrophobicContact CD2-CG2 3.83Å; F105-V119 HydrophobicContact CE1-CG1 4.26Å; F105-V119 HydrophobicContact CE2-CG2 4.27Å; F105-V119 HydrophobicContact CG-CB 4.47Å; F105-V119 HydrophobicContact CG-CG2 3.93Å; F105-V119 HydrophobicContact CZ-CG1 4.5Å
106E93.9Very high92.4Very high130 Ų13058 Ų5861%0.60731%0.306SS*.PPolyproline II helixtrans-91.1150176.2-62.7-174.2174.600111.8N108 D109E106-N108 PolarHBondContact O-N 2.94Å; E106-D109 PolarHBondContact N-OD2 3.36Å; E106-D109 VanDerWaalsContact O-CB 3.25Å; E106-D109 WeakPolarHBondContact O-CB 3.25Å; E106-D109 PolarHBondContact O-N 3.46Å
107A93.1Very high92.4Very high26 Ų2652.5 Ų52.522%0.21528%0.281CS..Hα-helixtrans-55.1-33.1-177.400000114L84 I87 D109 F111L84-A107 HydrophobicContact CD2-CB 4.11Å; I87-A107 HydrophobicContact CB-CB 4.26Å; I87-A107 HydrophobicContact CG2-CB 3.86Å; A107-D109 VanDerWaalsContact C-N 3.34Å; A107-F111 VanDerWaalsContact O-CB 3.28Å; A107-F111 WeakPolarHBondContact O-CB 3.42Å; A107-F111 PolarHBondContact O-N 3.35Å
108N92.4Very high92.3Very high73 Ų7354.4 Ų54.439%0.3929%0.291SS..Hα-helixtrans-71.1-26.2177.2-64-31000113.2E106 L110 E112E106-N108 PolarHBondContact O-N 2.94Å; N108-L110 PolarHBondContact O-N 3.11Å; N108-E112 WeakPolarHBondContact O-CB 3.48Å; N108-E112 PolarHBondContact O-N 3.29Å
109D92.8Very high92.4Very high17 Ų1752.4 Ų52.49%0.09127%0.27CS..Hα-helixtrans-58-41178.9-70.6-32.5000111.5F105 E106 A107 N113 V114 N115 V119F105-D109 HydrophobicContact CB-CB 4.42Å; F105-D109 HydrophobicContact CD2-CB 4.29Å; E106-D109 PolarHBondContact N-OD2 3.36Å; E106-D109 VanDerWaalsContact O-CB 3.25Å; E106-D109 WeakPolarHBondContact O-CB 3.25Å; E106-D109 PolarHBondContact O-N 3.46Å; A107-D109 VanDerWaalsContact C-N 3.34Å; D109-N113 CarbonylContact O-C 3.39Å; D109-N113 WeakPolarHBondContact O-CA 3.28Å; D109-V114 PolarHBondContact O-N 3.49Å; D109-N115 HydrophobicContact CB-CB 4.13Å; D109-N115 PolarHBondContact O-N 3.45Å; D109-N115 WeakPolarHBondContact OD1-CB 3.44Å; D109-V119 HydrophobicContact CB-CG2 4.21Å
110L93.1Very high92.5Very high0 Ų052.3 Ų52.30%027%0.269CS..Hα-helixtrans-87.8-46.7177.5-17757.3000112M50 L53 L59 I87 F105 N108 N113 V119M50-L110 HydrophobicContact SD-CD1 4.18Å; L53-L110 HydrophobicContact CB-CD1 4.26Å; L53-L110 HydrophobicContact CB-CD2 4.05Å; L53-L110 WeakPolarHBondContact O-CD2 3.48Å; L59-L110 HydrophobicContact CD1-CD2 3.61Å; I87-L110 HydrophobicContact CD1-CB 4.47Å; I87-L110 HydrophobicContact CD1-CD2 4.18Å; I87-L110 HydrophobicContact CD1-CG 4.38Å; I87-L110 HydrophobicContact CG1-CD2 4.35Å; F105-L110 HydrophobicContact CD2-CB 4.44Å; F105-L110 HydrophobicContact CE2-CB 3.91Å; F105-L110 HydrophobicContact CE2-CD2 4.23Å; F105-L110 HydrophobicContact CZ-CD2 4.23Å; N108-L110 PolarHBondContact O-N 3.11Å; L110-N113 PolarHBondContact O-N 3.3Å; L110-N113 PolarHBondContact O-OD1 2.88Å; L110-V119 HydrophobicContact CB-CG2 3.98Å; L110-V119 HydrophobicContact CD1-CG1 4.35Å; L110-V119 HydrophobicContact CD1-CG2 4.42Å
111F92.6Very high92.6Very high27 Ų2750.2 Ų50.212%0.11827%0.267CS..Hα-helixtrans-67.5-42.3-173.8-175.9-99.8000113.1K54 N80 Q83 L84 I87 A107K54-F111 WeakPolarHBondContact CE-O 3.38Å; K54-F111 PolarHBondContact NZ-O 3.42Å; N80-F111 HydrophobicContact CB-CE2 4.31Å; N80-F111 HydrophobicContact CB-CZ 3.69Å; Q83-F111 HydrophobicContact CB-CD2 4.27Å; Q83-F111 HydrophobicContact CB-CE2 4.07Å; L84-F111 HydrophobicContact CD1-CD1 4.22Å; L84-F111 HydrophobicContact CD1-CE1 4.22Å; L84-F111 HydrophobicContact CD2-CB 3.69Å; L84-F111 HydrophobicContact CD2-CD1 3.84Å; L84-F111 HydrophobicContact CD2-CD2 4.23Å; L84-F111 HydrophobicContact CD2-CG 3.64Å; L84-F111 HydrophobicContact CG-CB 4.47Å; L84-F111 HydrophobicContact CG-CD1 4.03Å; L84-F111 HydrophobicContact CG-CD2 4.1Å; L84-F111 HydrophobicContact CG-CE1 4.34Å; L84-F111 HydrophobicContact CG-CE2 4.38Å; L84-F111 HydrophobicContact CG-CG 3.92Å; I87-F111 HydrophobicContact CD1-CB 4.14Å; A107-F111 VanDerWaalsContact O-CB 3.28Å; A107-F111 WeakPolarHBondContact O-CB 3.42Å; A107-F111 PolarHBondContact O-N 3.35Å
112E90.6Very high92.8Very high123 Ų12345.1 Ų45.158%0.57523%0.234SC*.SBendtrans-97.23.8179.9-62.7-166.7163.200113.2N108 V114N108-E112 WeakPolarHBondContact O-CB 3.48Å; N108-E112 PolarHBondContact O-N 3.29Å; E112-V114 VanDerWaalsContact C-N 3.29Å; E112-V114 HydrophobicContact CB-CG2 3.82Å; E112-V114 PolarHBondContact O-N 2.93Å
113N88.5Confident93.1Very high73 Ų7339.2 Ų39.239%0.3921%0.207SC..  trans56.241.1-175-57.6-50.2000112.7D109 L110 H116D109-N113 CarbonylContact O-C 3.39Å; D109-N113 WeakPolarHBondContact O-CA 3.28Å; L110-N113 PolarHBondContact O-N 3.3Å; L110-N113 PolarHBondContact O-OD1 2.88Å; N113-H116 WeakPolarHBondContact CB-NE2 3.34Å; N113-H116 PolarHBondContact OD1-NE2 3.25Å
114V87.8Confident93.2Very high71 Ų7138.9 Ų38.943%0.4321%0.205SC..SBendtrans-76-44.2-179-179.50000110.6D109 E112D109-V114 PolarHBondContact O-N 3.49Å; E112-V114 VanDerWaalsContact C-N 3.29Å; E112-V114 HydrophobicContact CB-CG2 3.82Å; E112-V114 PolarHBondContact O-N 2.93Å
115N90.1Very high93.2Very high29 Ų2938.4 Ų38.416%0.15520%0.204CC..  trans-150.279.9-170.9-168.9-3.9000113.2D109 T117 Q118 V119D109-N115 HydrophobicContact CB-CB 4.13Å; D109-N115 PolarHBondContact O-N 3.45Å; D109-N115 WeakPolarHBondContact OD1-CB 3.44Å; N115-T117 PolarHBondContact O-N 3.08Å; N115-T117 PolarHBondContact OD1-N 2.74Å; N115-Q118 HydrophobicContact CB-CB 4.33Å; N115-Q118 WeakPolarHBondContact ND2-CB 3.44Å; N115-Q118 PolarHBondContact O-N 3.38Å; N115-Q118 PolarHBondContact OD1-N 3.45Å; N115-Q118 VanDerWaalsContact OD1-N 3.11Å; N115-V119 PolarHBondContact O-N 3.06Å
116H92Very high93.1Very high61 Ų6138.3 Ų38.328%0.28220%0.204SC..Hα-helixtrans-62.1-30.2175.6-67.8169.2000113.6Y25 M50 N113 Q118 V119 Q120Y25-H116 HydrophobicContact CD2-CB 4.21Å; Y25-H116 HydrophobicContact CE2-CB 4.03Å; M50-H116 HydrophobicContact CE-CB 3.73Å; M50-H116 HydrophobicContact SD-CB 4.13Å; N113-H116 WeakPolarHBondContact CB-NE2 3.34Å; N113-H116 PolarHBondContact OD1-NE2 3.25Å; H116-Q118 PolarHBondContact O-N 3.33Å; H116-V119 PolarHBondContact O-N 3.3Å; H116-Q120 PolarHBondContact O-N 2.85Å
117T93.3Very high93.2Very high9 Ų932.2 Ų32.26%0.05518%0.176CC..Hα-helixtrans-63.1-41.9177.4-50.10000111.8L21 K24 N115 V119 Q120 C121L21-T117 WeakPolarHBondContact O-CG2 3.09Å; L21-T117 PolarHBondContact O-OG1 3.08Å; K24-T117 HydrophobicContact CB-CG2 3.78Å; N115-T117 PolarHBondContact O-N 3.08Å; N115-T117 PolarHBondContact OD1-N 2.74Å; T117-V119 VanDerWaalsContact C-N 3.35Å; T117-Q120 PolarHBondContact O-N 2.93Å; T117-C121 WeakPolarHBondContact O-CB 3.39Å; T117-C121 PolarHBondContact O-N 2.91Å; T117-C121 PolarHBondContact O-SG 3.42Å
118Q93.6Very high93.2Very high48 Ų4831 Ų3122%0.22417%0.166CC..Hα-helixtrans-66.7-38.7177.2-172.663.634.900111.5H102 I104 F105 N115 H116 C121 S122H102-Q118 PolarHBondContact O-NE2 3.5Å; I104-Q118 PolarHBondContact O-NE2 3.3Å; F105-Q118 HydrophobicContact CB-CB 4.28Å; F105-Q118 HydrophobicContact CB-CG 3.67Å; N115-Q118 HydrophobicContact CB-CB 4.33Å; N115-Q118 WeakPolarHBondContact ND2-CB 3.44Å; N115-Q118 PolarHBondContact O-N 3.38Å; N115-Q118 PolarHBondContact OD1-N 3.45Å; N115-Q118 VanDerWaalsContact OD1-N 3.11Å; H116-Q118 PolarHBondContact O-N 3.33Å; Q118-C121 PolarHBondContact O-N 3.29Å; Q118-S122 VanDerWaalsContact O-CB 3.31Å; Q118-S122 WeakPolarHBondContact O-CB 3.34Å; Q118-S122 PolarHBondContact O-N 3.37Å
119V95.5Very high93.2Very high0 Ų028.8 Ų28.80%015%0.154CC..Hα-helixtrans-59.8-48.5174-178.50000110.4M50 F105 D109 L110 N115 H116 T117 C121 S122 L123M50-V119 HydrophobicContact SD-CG1 4.44Å; F105-V119 HydrophobicContact CB-CG2 4.24Å; F105-V119 HydrophobicContact CD1-CG1 4.43Å; F105-V119 HydrophobicContact CD1-CG2 4.39Å; F105-V119 HydrophobicContact CD2-CG2 3.83Å; F105-V119 HydrophobicContact CE1-CG1 4.26Å; F105-V119 HydrophobicContact CE2-CG2 4.27Å; F105-V119 HydrophobicContact CG-CB 4.47Å; F105-V119 HydrophobicContact CG-CG2 3.93Å; F105-V119 HydrophobicContact CZ-CG1 4.5Å; D109-V119 HydrophobicContact CB-CG2 4.21Å; L110-V119 HydrophobicContact CB-CG2 3.98Å; L110-V119 HydrophobicContact CD1-CG1 4.35Å; L110-V119 HydrophobicContact CD1-CG2 4.42Å; N115-V119 PolarHBondContact O-N 3.06Å; H116-V119 PolarHBondContact O-N 3.3Å; T117-V119 VanDerWaalsContact C-N 3.35Å; V119-C121 PolarHBondContact O-N 2.91Å; V119-S122 PolarHBondContact O-N 3.45Å; V119-L123 HydrophobicContact CG1-CD1 4.1Å; V119-L123 WeakPolarHBondContact O-CG 3.21Å; V119-L123 PolarHBondContact O-N 2.79Å
120Q95.3Very high93.2Very high4 Ų428 Ų282%0.01915%0.15CC..Hα-helixtrans-58.2-50177177.4174.765.100111.9Y25 D26 E30 L33 H116 T117 S122 L123 I124Y25-Q120 HydrophobicContact CD2-CB 4.33Å; Y25-Q120 HydrophobicContact CE2-CB 3.9Å; Y25-Q120 HydrophobicContact CE2-CG 4.41Å; D26-Q120 PolarHBondContact O-NE2 3.01Å; E30-Q120 VanDerWaalsContact N-NE2 3.19Å; L33-Q120 HydrophobicContact CD1-CB 4.42Å; L33-Q120 HydrophobicContact CD1-CG 3.72Å; H116-Q120 PolarHBondContact O-N 2.85Å; T117-Q120 PolarHBondContact O-N 2.93Å; Q120-S122 VanDerWaalsContact C-N 3.3Å; Q120-S122 PolarHBondContact O-N 3.3Å; Q120-L123 PolarHBondContact O-N 3.09Å; Q120-I124 HydrophobicContact CG-CD1 3.85Å; Q120-I124 WeakPolarHBondContact O-CD1 3.43Å; Q120-I124 VanDerWaalsContact O-CG1 3.31Å; Q120-I124 WeakPolarHBondContact O-CG1 3.23Å; Q120-I124 PolarHBondContact O-N 2.72Å; Q120-I124 VanDerWaalsContact O-N 3.07Å
121C94.3Very high93.1Very high63 Ų6331.2 Ų31.243%0.42616%0.163SC..Hα-helixtrans-58.6-42177.8-730000112.1T117 Q118 V119 I124 A125T117-C121 WeakPolarHBondContact O-CB 3.39Å; T117-C121 PolarHBondContact O-N 2.91Å; T117-C121 PolarHBondContact O-SG 3.42Å; Q118-C121 PolarHBondContact O-N 3.29Å; V119-C121 PolarHBondContact O-N 2.91Å; C121-I124 PolarHBondContact O-N 2.78Å; C121-A125 WeakPolarHBondContact O-CB 3.44Å; C121-A125 PolarHBondContact O-N 2.68Å
122S95.9Very high93Very high1 Ų131.4 Ų31.41%0.00717%0.168CC..Hα-helixtrans-65.3-41.8-179.3-163.50000112.7D103 Q118 V119 Q120 A125 L126D103-S122 WeakPolarHBondContact O-CA 3.45Å; D103-S122 WeakPolarHBondContact O-CB 3.48Å; D103-S122 PolarHBondContact O-OG 3.28Å; Q118-S122 VanDerWaalsContact O-CB 3.31Å; Q118-S122 WeakPolarHBondContact O-CB 3.34Å; Q118-S122 PolarHBondContact O-N 3.37Å; V119-S122 PolarHBondContact O-N 3.45Å; Q120-S122 VanDerWaalsContact C-N 3.3Å; Q120-S122 PolarHBondContact O-N 3.3Å; S122-A125 PolarHBondContact O-N 3.26Å; S122-L126 WeakPolarHBondContact O-CB 3.18Å; S122-L126 PolarHBondContact O-N 3.05Å
123L95.9Very high93Very high0 Ų030.6 Ų30.60%016%0.163CC..Hα-helixtrans-68.5-36.3177-64.6171.5000112.1L33 I37 F49 L53 L59 L62 F90 V119 Q120 L126 A127L33-L123 HydrophobicContact CD1-CB 4.34Å; L33-L123 HydrophobicContact CD2-CB 3.49Å; L33-L123 VanDerWaalsContact CD2-CB 3.49Å; I37-L123 HydrophobicContact CD1-CD1 4.27Å; F49-L123 HydrophobicContact CE1-CD1 4.34Å; F49-L123 HydrophobicContact CZ-CD1 4.1Å; L53-L123 HydrophobicContact CD1-CD1 3.86Å; L59-L123 HydrophobicContact CD2-CD2 3.85Å; L62-L123 HydrophobicContact CD2-CD2 4.43Å; F90-L123 HydrophobicContact CE1-CD2 4.45Å; F90-L123 HydrophobicContact CZ-CD2 4Å; V119-L123 HydrophobicContact CG1-CD1 4.1Å; V119-L123 WeakPolarHBondContact O-CG 3.21Å; V119-L123 PolarHBondContact O-N 2.79Å; Q120-L123 PolarHBondContact O-N 3.09Å; L123-L126 WeakPolarHBondContact O-CB 3.47Å; L123-L126 PolarHBondContact O-N 3.49Å; L123-A127 PolarHBondContact O-N 3.34Å
124I94.9Very high92.9Very high35 Ų3529.1 Ų29.118%0.17917%0.165CC..Hα-helixtrans-64.8-42.4173.4-66.3161.9000110.7K29 L33 Q120 C121 L126 A127 G128K29-I124 HydrophobicContact CB-CD1 4.2Å; K29-I124 HydrophobicContact CD-CD1 3.88Å; L33-I124 HydrophobicContact CD1-CD1 4.32Å; L33-I124 HydrophobicContact CD1-CG1 3.94Å; L33-I124 HydrophobicContact CD2-CG1 4.14Å; L33-I124 HydrophobicContact CG-CG1 4.06Å; Q120-I124 HydrophobicContact CG-CD1 3.85Å; Q120-I124 WeakPolarHBondContact O-CD1 3.43Å; Q120-I124 VanDerWaalsContact O-CG1 3.31Å; Q120-I124 WeakPolarHBondContact O-CG1 3.23Å; Q120-I124 PolarHBondContact O-N 2.72Å; Q120-I124 VanDerWaalsContact O-N 3.07Å; C121-I124 PolarHBondContact O-N 2.78Å; I124-L126 VanDerWaalsContact C-N 3.3Å; I124-L126 PolarHBondContact O-N 3.26Å; I124-A127 PolarHBondContact O-N 3.4Å; I124-G128 PolarHBondContact O-N 2.85Å
125A94.7Very high92.9Very high14 Ų1428.7 Ų28.712%0.11616%0.158CC..Hα-helixtrans-62.4-39.3174.900000111.2L99 D103 C121 S122 G128 M129L99-A125 HydrophobicContact CD2-CB 4.33Å; D103-A125 HydrophobicContact CB-CB 4.03Å; C121-A125 WeakPolarHBondContact O-CB 3.44Å; C121-A125 PolarHBondContact O-N 2.68Å; S122-A125 PolarHBondContact O-N 3.26Å; A125-G128 PolarHBondContact O-N 3.12Å; A125-M129 WeakPolarHBondContact O-CB 3.39Å; A125-M129 PolarHBondContact O-N 3.05Å
126L95.3Very high92.6Very high1 Ų135.3 Ų35.31%0.00519%0.187CC..Hα-helixtrans-61.6-45.5174.3-179.963.1000112.2W36 L62 I63 L66 F90 I94 Y97 L99 S122 L123 I124 G128 M129 A130W36-L126 HydrophobicContact CH2-CG 4.46Å; L62-L126 HydrophobicContact CD2-CD2 4.09Å; I63-L126 HydrophobicContact CD1-CD1 4.24Å; L66-L126 HydrophobicContact CD1-CD1 4.13Å; L66-L126 HydrophobicContact CD1-CD2 4.13Å; L66-L126 HydrophobicContact CD1-CG 4.04Å; F90-L126 HydrophobicContact CE2-CD2 4.11Å; F90-L126 HydrophobicContact CZ-CD2 3.87Å; I94-L126 HydrophobicContact CB-CD1 4.48Å; I94-L126 HydrophobicContact CG2-CD1 3.98Å; I94-L126 HydrophobicContact CG2-CD2 3.99Å; Y97-L126 HydrophobicContact CD1-CD1 3.7Å; Y97-L126 HydrophobicContact CE1-CD1 3.99Å; L99-L126 HydrophobicContact CD1-CB 4.42Å; L99-L126 HydrophobicContact CD1-CD1 3.69Å; L99-L126 HydrophobicContact CD2-CB 4.02Å; S122-L126 WeakPolarHBondContact O-CB 3.18Å; S122-L126 PolarHBondContact O-N 3.05Å; L123-L126 WeakPolarHBondContact O-CB 3.47Å; L123-L126 PolarHBondContact O-N 3.49Å; I124-L126 VanDerWaalsContact C-N 3.3Å; I124-L126 PolarHBondContact O-N 3.26Å; L126-G128 PolarHBondContact O-N 3.33Å; L126-M129 PolarHBondContact O-N 3.48Å; L126-A130 WeakPolarHBondContact O-CB 3.47Å; L126-A130 PolarHBondContact O-N 3.22Å
127A94.5Very high92.3Very high2 Ų233.9 Ų33.92%0.01718%0.184CC..Hα-helixtrans-60.3-45.4176.200000111.8W36 L123 I124 M129 A130 K131 L141W36-A127 HydrophobicContact CD2-CB 3.98Å; W36-A127 HydrophobicContact CE3-CB 4.17Å; W36-A127 HydrophobicContact CH2-CB 3.9Å; W36-A127 HydrophobicContact CZ2-CB 3.68Å; W36-A127 HydrophobicContact CZ3-CB 4.13Å; L123-A127 PolarHBondContact O-N 3.34Å; I124-A127 PolarHBondContact O-N 3.4Å; A127-M129 VanDerWaalsContact C-N 3.31Å; A127-M129 PolarHBondContact O-N 3.19Å; A127-A130 PolarHBondContact O-N 3.33Å; A127-K131 PolarHBondContact O-N 2.99Å; A127-L141 HydrophobicContact CB-CB 4.08Å; A127-L141 HydrophobicContact CB-CD2 3.9Å; A127-L141 HydrophobicContact CB-CG 3.99Å; A127-L141 WeakPolarHBondContact CB-O 3.27Å
128G93.1Very high91.9Very high1 Ų141.3 Ų41.31%0.0122%0.216CC..Hα-helixtrans-61.5-37.917400000113.1I124 A125 L126 K131 S132 V143I124-G128 PolarHBondContact O-N 2.85Å; A125-G128 PolarHBondContact O-N 3.12Å; L126-G128 PolarHBondContact O-N 3.33Å; G128-K131 PolarHBondContact O-N 3.06Å; G128-S132 PolarHBondContact O-N 2.88Å; G128-S132 VanDerWaalsContact O-N 3.08Å; G128-S132 PolarHBondContact O-OG 3.44Å; G128-V143 WeakPolarHBondContact CA-O 3.46Å
129M92.9Very high91.5Very high26 Ų2642.9 Ų42.913%0.12822%0.22CC..Hα-helixtrans-68.1-42.8176.3-172.680.9-7300111.6Y97 L99 A125 L126 A127 K131 S132 K133 Y145Y97-M129 HydrophobicContact CD1-CB 4.44Å; Y97-M129 HydrophobicContact CD1-CG 3.84Å; Y97-M129 HydrophobicContact CE1-CB 4.29Å; Y97-M129 HydrophobicContact CE1-CG 3.9Å; L99-M129 HydrophobicContact CD1-CB 3.89Å; L99-M129 HydrophobicContact CD1-CG 3.96Å; A125-M129 WeakPolarHBondContact O-CB 3.39Å; A125-M129 PolarHBondContact O-N 3.05Å; L126-M129 PolarHBondContact O-N 3.48Å; A127-M129 VanDerWaalsContact C-N 3.31Å; A127-M129 PolarHBondContact O-N 3.19Å; M129-K131 VanDerWaalsContact C-N 3.34Å; M129-K131 PolarHBondContact O-N 3.47Å; M129-S132 WeakPolarHBondContact O-CB 3.39Å; M129-S132 PolarHBondContact O-N 2.89Å; M129-K133 PolarHBondContact O-N 2.88Å; M129-Y145 HydrophobicContact CB-CD2 4.48Å; M129-Y145 HydrophobicContact CB-CE2 4.13Å; M129-Y145 HydrophobicContact CE-CD2 3.71Å; M129-Y145 HydrophobicContact CE-CE2 4.34Å; M129-Y145 HydrophobicContact CE-CG 3.87Å; M129-Y145 HydrophobicContact SD-CD2 4.48Å
130A92.9Very high90.7Very high1 Ų148.6 Ų48.61%0.00825%0.251CS..Hα-helixtrans-59.7-44.6175.500000111.5W36 L66 Y97 L126 A127 S132 K133 G134 F135W36-A130 HydrophobicContact CZ2-CB 4.44Å; L66-A130 HydrophobicContact CD1-CB 4.29Å; L66-A130 HydrophobicContact CD2-CB 3.93Å; Y97-A130 HydrophobicContact CE1-CB 4.32Å; Y97-A130 WeakPolarHBondContact OH-CA 3.47Å; L126-A130 WeakPolarHBondContact O-CB 3.47Å; L126-A130 PolarHBondContact O-N 3.22Å; A127-A130 PolarHBondContact O-N 3.33Å; A130-S132 PolarHBondContact O-N 3.3Å; A130-K133 CarbonylContact O-C 3.58Å; A130-K133 PolarHBondContact O-N 3.37Å; A130-K133 VanDerWaalsContact O-N 3.11Å; A130-G134 PolarHBondContact O-N 2.93Å; A130-F135 HydrophobicContact CB-CB 4.06Å; A130-F135 WeakPolarHBondContact O-CB 3.05Å; A130-F135 PolarHBondContact O-N 3.32Å
131K91.9Very high90.3Very high66 Ų6648.9 Ų48.929%0.28725%0.252SS..Hα-helixtrans-57.5-37.9173.2-173.5175.1-174.1175.80112.4A127 G128 M129 K133 G134 D140 K144A127-K131 PolarHBondContact O-N 2.99Å; G128-K131 PolarHBondContact O-N 3.06Å; M129-K131 VanDerWaalsContact C-N 3.34Å; M129-K131 PolarHBondContact O-N 3.47Å; K131-K133 VanDerWaalsContact C-N 3.34Å; K131-G134 PolarHBondContact O-N 2.77Å; K131-G134 VanDerWaalsContact O-N 3.16Å; K131-D140 WeakPolarHBondContact CE-OD1 3.35Å; K131-D140 IonicContact NZ-OD1 2.95Å; K131-D140 PolarHBondContact NZ-OD1 3.03Å; K131-D140 IonicContact NZ-OD2 3.61Å; K131-D140 PolarHBondContact NZ-OD2 3.42Å; K131-K144 HydrophobicContact CD-CB 4.38Å; K131-K144 HydrophobicContact CG-CB 4.42Å
132S89.8Confident89.6Confident31 Ų3147 Ų4722%0.21724%0.243CC..Hα-helixtrans-69.7-32.8178.9-50.60000112.9G128 M129 A130 G134 Y145G128-S132 PolarHBondContact O-N 2.88Å; G128-S132 VanDerWaalsContact O-N 3.08Å; G128-S132 PolarHBondContact O-OG 3.44Å; M129-S132 WeakPolarHBondContact O-CB 3.39Å; M129-S132 PolarHBondContact O-N 2.89Å; A130-S132 PolarHBondContact O-N 3.3Å; S132-G134 PolarHBondContact O-N 2.89Å; S132-Y145 WeakPolarHBondContact OG-CB 3.3Å; S132-Y145 PolarHBondContact OG-N 3.34Å
133K89.7Confident89Confident106 Ų10652.7 Ų52.746%0.46128%0.278SS..THydrogen-bonded Turntrans-79.82.9172.3-69.8-169.5177.5-178.70113.8Y97 M129 A130 K131Y97-K133 HydrophobicContact CD2-CD 4.4Å; Y97-K133 VanDerWaalsContact CD2-NZ 3.27Å; Y97-K133 HydrophobicContact CE1-CD 4.08Å; Y97-K133 HydrophobicContact CE2-CD 3.77Å; Y97-K133 WeakPolarHBondContact O-CE 3.13Å; Y97-K133 PolarHBondContact O-NZ 3.05Å; M129-K133 PolarHBondContact O-N 2.88Å; A130-K133 CarbonylContact O-C 3.58Å; A130-K133 PolarHBondContact O-N 3.37Å; A130-K133 VanDerWaalsContact O-N 3.11Å; K131-K133 VanDerWaalsContact C-N 3.34Å
134G86.9Confident88.2Confident43 Ų4359.1 Ų59.144%0.44331%0.306SS..THydrogen-bonded Turntrans86.315.7176.500000114.6A130 K131 S132 H136A130-G134 PolarHBondContact O-N 2.93Å; K131-G134 PolarHBondContact O-N 2.77Å; K131-G134 VanDerWaalsContact O-N 3.16Å; S132-G134 PolarHBondContact O-N 2.89Å; G134-H136 PolarHBondContact O-CE1 3.42Å; G134-H136 VanDerWaalsContact O-CE1 3.24Å; G134-H136 PolarHBondContact O-ND1 3.15Å
135F88.9Confident87.4Confident62 Ų6261 Ų6127%0.27231%0.311SS..  trans-74.9128168.4-168.2-87.3000109.5V40 L66 A130V40-F135 HydrophobicContact CG1-CE1 4.27Å; V40-F135 HydrophobicContact CG1-CZ 3.95Å; V40-F135 HydrophobicContact CG2-CE1 3.79Å; V40-F135 HydrophobicContact CG2-CZ 4.24Å; L66-F135 HydrophobicContact CD2-CD1 3.89Å; L66-F135 HydrophobicContact CD2-CD2 3.87Å; L66-F135 HydrophobicContact CD2-CE1 4Å; L66-F135 HydrophobicContact CD2-CE2 3.97Å; L66-F135 HydrophobicContact CD2-CG 3.83Å; L66-F135 HydrophobicContact CD2-CZ 4.03Å; A130-F135 HydrophobicContact CB-CB 4.06Å; A130-F135 WeakPolarHBondContact O-CB 3.05Å; A130-F135 PolarHBondContact O-N 3.32Å
136H84.2Confident86.4Confident167 Ų16765.2 Ų65.277%0.77335%0.346SS*.  trans-114.3117.9-179.2-62.582.6000109.1G134G134-H136 PolarHBondContact O-CE1 3.42Å; G134-H136 VanDerWaalsContact O-CE1 3.24Å; G134-H136 PolarHBondContact O-ND1 3.15Å
137S85.4Confident85.2Confident31 Ų3174 Ų7422%0.21739%0.387CS..  trans-103.6158171.3164.30000109.4W36 D39 Y139W36-S137 VanDerWaalsContact CD1-OG 3.28Å; D39-S137 WeakPolarHBondContact OD2-CA 3.34Å; D39-S137 WeakPolarHBondContact OD2-CB 3.36Å; D39-S137 PolarHBondContact OD2-OG 3.32Å; S137-Y139 PolarHBondContact O-N 3.07Å; S137-Y139 PolarHBondContact OG-N 3.27Å; S137-Y139 VanDerWaalsContact OG-N 3.1Å; S137-Y139 PolarHBondContact OG-O 2.94Å
138K84.6Confident84.4Confident165 Ų16581.6 Ų81.672%0.71742%0.42SS*.SBendtrans-62.2-33.2170.6-174.5-177.3177.5-1710112.2D39D39-K138 PolarHBondContact OD2-N 3.28Å
139Y85.3Confident83.6Confident82 Ų8289.4 Ų89.432%0.32246%0.456SS..SBendtrans-97120179.7-61.4-77.8000109.3L35 D39 S137 L141L35-Y139 HydrophobicContact CB-CD1 3.96Å; L35-Y139 HydrophobicContact CB-CD2 3.9Å; L35-Y139 HydrophobicContact CB-CE1 3.9Å; L35-Y139 HydrophobicContact CB-CE2 3.82Å; L35-Y139 HydrophobicContact CB-CG 3.96Å; L35-Y139 HydrophobicContact CD1-CD1 4.2Å; L35-Y139 HydrophobicContact CD1-CE1 3.8Å; L35-Y139 HydrophobicContact CG-CE1 4.3Å; L35-Y139 WeakPolarHBondContact O-CD2 3.23Å; L35-Y139 WeakPolarHBondContact O-CE2 3.33Å; D39-Y139 HydrophobicContact CB-CD2 3.78Å; D39-Y139 HydrophobicContact CB-CE2 4.02Å; S137-Y139 PolarHBondContact O-N 3.07Å; S137-Y139 PolarHBondContact OG-N 3.27Å; S137-Y139 VanDerWaalsContact OG-N 3.1Å; S137-Y139 PolarHBondContact OG-O 2.94Å; Y139-L141 PolarHBondContact O-N 2.9Å
140D79.4Confident82.8Confident120 Ų12093.2 Ų93.264%0.64247%0.473SS*.  trans-83.195.6180-167.313.2000110.7K131K131-D140 WeakPolarHBondContact CE-OD1 3.35Å; K131-D140 IonicContact NZ-OD1 2.95Å; K131-D140 PolarHBondContact NZ-OD1 3.03Å; K131-D140 IonicContact NZ-OD2 3.61Å; K131-D140 PolarHBondContact NZ-OD2 3.42Å
141L85.6Confident82.2Confident10 Ų10102.7 Ų102.75%0.05251%0.509CS..  trans-116.4132.7179.3-173.768.8000111.7E32 L33 W36 A127 Y139E32-L141 HydrophobicContact CB-CD1 4Å; L33-L141 HydrophobicContact CB-CD2 4.37Å; L33-L141 HydrophobicContact CD2-CD2 3.37Å; L33-L141 HydrophobicContact CG-CD2 3.7Å; W36-L141 HydrophobicContact CB-CB 4.39Å; W36-L141 HydrophobicContact CB-CD2 4.06Å; W36-L141 HydrophobicContact CD2-CD2 4.35Å; W36-L141 HydrophobicContact CE3-CD2 4.44Å; W36-L141 HydrophobicContact CG-CB 4.24Å; W36-L141 HydrophobicContact CG-CD2 4.17Å; A127-L141 HydrophobicContact CB-CB 4.08Å; A127-L141 HydrophobicContact CB-CD2 3.9Å; A127-L141 HydrophobicContact CB-CG 3.99Å; A127-L141 WeakPolarHBondContact CB-O 3.27Å; Y139-L141 PolarHBondContact O-N 2.9Å
142G79.8Confident81.7Confident23 Ų23109 Ų10924%0.23753%0.532CS..SBendtrans82.2170.317800000113.8
143V83.4Confident81.6Confident120 Ų120112.6 Ų112.673%0.72755%0.545SS*.PPolyproline II helixtrans-103.4138.5-177.8-176.80000109.4G128 Y145G128-V143 WeakPolarHBondContact CA-O 3.46Å; V143-Y145 PolarHBondContact O-N 3.42Å
144K79.5Confident81.4Confident135 Ų135110.4 Ų110.459%0.58755%0.546SS*.PPolyproline II helixtrans-64.6122.3171.9-174.2174.8-179.4175.50109.3K131 A146K131-K144 HydrophobicContact CD-CB 4.38Å; K131-K144 HydrophobicContact CG-CB 4.42Å; K144-A146 PolarHBondContact O-N 2.65Å
145Y77.6Confident81.3Confident74 Ų74113.2 Ų113.229%0.2956%0.557SS.*PPolyproline II helixtrans-62.3134.6174.2-74.9-102.6000109.7M129 S132 V143 E147M129-Y145 HydrophobicContact CB-CD2 4.48Å; M129-Y145 HydrophobicContact CB-CE2 4.13Å; M129-Y145 HydrophobicContact CE-CD2 3.71Å; M129-Y145 HydrophobicContact CE-CE2 4.34Å; M129-Y145 HydrophobicContact CE-CG 3.87Å; M129-Y145 HydrophobicContact SD-CD2 4.48Å; S132-Y145 WeakPolarHBondContact OG-CB 3.3Å; S132-Y145 PolarHBondContact OG-N 3.34Å; V143-Y145 PolarHBondContact O-N 3.42Å; Y145-E147 PolarHBondContact O-N 3.02Å
146A72.9Confident81Confident104 Ų104116.4 Ų116.486%0.8657%0.572SS**PPolyproline II helixtrans-72.4119176.900000109.9K144K144-A146 PolarHBondContact O-N 2.65Å
147E70.4Confident80.8Confident185 Ų185114.6 Ų114.686%0.86456%0.562SS**PPolyproline II helixtrans-76.6138.4169.9-169.9173.9-17700109.9Y145 Q149Y145-E147 PolarHBondContact O-N 3.02Å; E147-Q149 PolarHBondContact O-N 3.26Å
148K77.4Confident80.6Confident162 Ų162117.5 Ų117.570%0.70458%0.575SS**  trans-69.797.6177.5-176-170-177.7-173.70109.3Q150K148-Q150 HydrophobicContact CD-CG 4.06Å; K148-Q150 HydrophobicContact CG-CG 4.19Å; K148-Q150 VanDerWaalsContact NZ-NE2 3.15Å; K148-Q150 PolarHBondContact O-N 3.29Å
149Q76.6Confident80.3Confident165 Ų165117.5 Ų117.577%0.77157%0.57SS**  trans-75.795.7171.8-173.571.1-49.500110.2E147 R151E147-Q149 PolarHBondContact O-N 3.26Å; Q149-R151 PolarHBondContact O-N 3.21Å
150Q77.1Confident79.9Confident105 Ų105119.4 Ų119.449%0.49158%0.582SS.*  trans-73.5108.7171.6-72.9-174.3-44.600109.3K148 Y152K148-Q150 HydrophobicContact CD-CG 4.06Å; K148-Q150 HydrophobicContact CG-CG 4.19Å; K148-Q150 VanDerWaalsContact NZ-NE2 3.15Å; K148-Q150 PolarHBondContact O-N 3.29Å; Q150-Y152 HydrophobicContact CB-CE2 4.19Å; Q150-Y152 WeakPolarHBondContact O-CD2 3.36Å; Q150-Y152 PolarHBondContact O-N 3.07Å
151R80.8Confident79.7Confident201 Ų201115.5 Ų115.576%0.75857%0.57SS**  trans-74.9112.9174.4-66.2-179.6-177167.50.4108.9Q149 F153Q149-R151 PolarHBondContact O-N 3.21Å; R151-F153 HydrophobicContact CB-CE2 4.05Å; R151-F153 HydrophobicContact CB-CZ 4.08Å
152Y81.2Confident78.9Confident197 Ų197125 Ų12577%0.77361%0.605SS**PPolyproline II helixtrans-83.8123.3168.4-65.8-85.4000108.8Q150Q150-Y152 HydrophobicContact CB-CE2 4.19Å; Q150-Y152 WeakPolarHBondContact O-CD2 3.36Å; Q150-Y152 PolarHBondContact O-N 3.07Å
153F85.9Confident78.3Confident108 Ų108130.1 Ų130.147%0.47463%0.627SS.*PPolyproline II helixtrans-100.1141.4170.7-62-77.7000108.5R151 K157 L158R151-F153 HydrophobicContact CB-CE2 4.05Å; R151-F153 HydrophobicContact CB-CZ 4.08Å; F153-K157 HydrophobicContact CD1-CD 4.32Å; F153-L158 HydrophobicContact CB-CD1 3.88Å; F153-L158 HydrophobicContact CB-CG 3.86Å; F153-L158 WeakPolarHBondContact O-CD1 3.45Å
154A87.2Confident77.3Confident59 Ų59130.9 Ų130.949%0.48863%0.625SS.*PPolyproline II helixtrans-57142.5171.600000109.9E156 K157 L158A154-E156 PolarHBondContact O-N 3.43Å; A154-K157 HydrophobicContact CB-CB 4.4Å; A154-K157 WeakPolarHBondContact O-CB 3.46Å; A154-K157 PolarHBondContact O-N 3.05Å; A154-L158 PolarHBondContact O-N 3.01Å
155P83.4Confident76.2Confident103 Ų103129.4 Ų129.467%0.66962%0.623SS**Hα-helixtrans-59.3-31.7-177.423.5-33.5000112.4L158 R159P155-L158 PolarHBondContact O-N 2.85Å; P155-R159 WeakPolarHBondContact O-CB 3.33Å; P155-R159 PolarHBondContact O-N 3.05Å
156E82.3Confident75.4Confident128 Ų128128.1 Ų128.160%0.59863%0.632SS**Hα-helixtrans-64.5-44.7174.4-61.2-171.8154.300111.9A154 L158 R159 E160A154-E156 PolarHBondContact O-N 3.43Å; E156-L158 VanDerWaalsContact C-N 3.34Å; E156-L158 PolarHBondContact O-N 3.18Å; E156-R159 CarbonylContact O-C 3.56Å; E156-R159 WeakPolarHBondContact O-CA 3.41Å; E156-R159 WeakPolarHBondContact O-CB 3.37Å; E156-R159 PolarHBondContact O-N 2.97Å; E156-E160 WeakPolarHBondContact O-CG 3.4Å; E156-E160 PolarHBondContact O-N 3.43Å
157K80.5Confident74.5Confident130 Ų130131.2 Ų131.257%0.56563%0.633SS**Hα-helixtrans-65-35.8176.7-170.5167.2-174.8168.20112.5F153 A154 R159 G161F153-K157 HydrophobicContact CD1-CD 4.32Å; A154-K157 HydrophobicContact CB-CB 4.4Å; A154-K157 WeakPolarHBondContact O-CB 3.46Å; A154-K157 PolarHBondContact O-N 3.05Å; K157-R159 VanDerWaalsContact C-N 3.34Å; K157-G161 PolarHBondContact O-N 3.17Å
158L81.1Confident73.7Confident91 Ų91131.4 Ų131.448%0.47663%0.634SS.*Hα-helixtrans-65.5-37.7171.1-79.4145.1000111.7F153 A154 P155 E156 G161 R162F153-L158 HydrophobicContact CB-CD1 3.88Å; F153-L158 HydrophobicContact CB-CG 3.86Å; F153-L158 WeakPolarHBondContact O-CD1 3.45Å; A154-L158 PolarHBondContact O-N 3.01Å; P155-L158 PolarHBondContact O-N 2.85Å; E156-L158 VanDerWaalsContact C-N 3.34Å; E156-L158 PolarHBondContact O-N 3.18Å; L158-G161 PolarHBondContact O-N 3.49Å; L158-R162 PolarHBondContact O-N 3.31Å
159R78.1Confident72.6Confident165 Ų165131.1 Ų131.162%0.62364%0.637SS**Hα-helixtrans-69.9-40.8177.5-167.9170.370.1-175.50.7111.7P155 E156 K157 G161 R162P155-R159 WeakPolarHBondContact O-CB 3.33Å; P155-R159 PolarHBondContact O-N 3.05Å; E156-R159 CarbonylContact O-C 3.56Å; E156-R159 WeakPolarHBondContact O-CA 3.41Å; E156-R159 WeakPolarHBondContact O-CB 3.37Å; E156-R159 PolarHBondContact O-N 2.97Å; K157-R159 VanDerWaalsContact C-N 3.34Å; R159-G161 VanDerWaalsContact C-N 3.32Å; R159-G161 PolarHBondContact O-N 3.44Å; R159-R162 WeakPolarHBondContact O-CB 3.45Å; R159-R162 PolarHBondContact O-N 3.05Å; R159-R162 VanDerWaalsContact O-N 3.17Å
160E78.1Confident71.6Confident123 Ų123126.6 Ų126.658%0.57564%0.635SS**Hα-helixtrans-62.1-38.9172.5-71.6172.8175.900111.9E156 R162 N163E156-E160 WeakPolarHBondContact O-CG 3.4Å; E156-E160 PolarHBondContact O-N 3.43Å; E160-R162 PolarHBondContact O-N 3.29Å; E160-N163 WeakPolarHBondContact O-CB 3.41Å; E160-N163 PolarHBondContact O-N 3.45Å
161G74.6Confident70.1Confident37 Ų37124.9 Ų124.938%0.38163%0.631SS.*Hα-helixtrans-60.6-28.7174.400000113.8K157 L158 R159 N163 I164K157-G161 PolarHBondContact O-N 3.17Å; L158-G161 PolarHBondContact O-N 3.49Å; R159-G161 VanDerWaalsContact C-N 3.32Å; R159-G161 PolarHBondContact O-N 3.44Å; G161-N163 VanDerWaalsContact C-N 3.27Å; G161-N163 PolarHBondContact O-N 3Å; G161-I164 PolarHBondContact O-N 3.26Å
162R68.8Low68.7Low209 Ų209121.8 Ų121.879%0.78963%0.63SS**Hα-helixtrans-71.9-20.3174.6-63.8175.1-175.8-173.2-0.4113.1L158 R159 E160 I164L158-R162 PolarHBondContact O-N 3.31Å; R159-R162 WeakPolarHBondContact O-CB 3.45Å; R159-R162 PolarHBondContact O-N 3.05Å; R159-R162 VanDerWaalsContact O-N 3.17Å; E160-R162 PolarHBondContact O-N 3.29Å; R162-I164 VanDerWaalsContact C-N 3.29Å
163N66.6Low67.1Low132 Ų132120.9 Ų120.971%0.70663%0.63SS**THydrogen-bonded Turntrans-83-8175.7-63.4-21.6000112.4E160 G161 I165E160-N163 WeakPolarHBondContact O-CB 3.41Å; E160-N163 PolarHBondContact O-N 3.45Å; G161-N163 VanDerWaalsContact C-N 3.27Å; G161-N163 PolarHBondContact O-N 3Å; N163-I165 PolarHBondContact O-N 3.37Å
164I62.4Low65.5Low135 Ų135122.1 Ų122.169%0.69264%0.641SS**  trans-8697.9176-57.4174.6000108.2G161 R162 G166G161-I164 PolarHBondContact O-N 3.26Å; R162-I164 VanDerWaalsContact C-N 3.29Å; I164-G166 PolarHBondContact O-N 3.38Å
165I57.1Low63.7Low105 Ų105123.8 Ų123.854%0.53866%0.655SS.*  trans-76.8116.1172.8-57.8-179000107.7N163 M169N163-I165 PolarHBondContact O-N 3.37Å; I165-M169 HydrophobicContact CG2-CB 3.6Å; I165-M169 WeakPolarHBondContact CG2-O 3.24Å
166G60Low62.3Low46 Ų46122.4 Ų122.447%0.47465%0.647SS.*  trans-56.6143.8171.800000110.6I164 Q168 M169I164-G166 PolarHBondContact O-N 3.38Å; G166-Q168 PolarHBondContact O-N 3.03Å; G166-M169 PolarHBondContact O-N 2.88Å
167L55.5Low60.7Low169 Ų169124.2 Ų124.289%0.88566%0.656SS**THydrogen-bonded Turntrans-51.7-18-171.5-151.478.1000115
168Q52.6Low59.1Low190 Ų190126.2 Ų126.289%0.88867%0.665SS**THydrogen-bonded Turntrans-87.4-12.7178.1-64-155-20.100115.4G166G166-Q168 PolarHBondContact O-N 3.03Å
169M55.6Low57.7Low156 Ų156124.6 Ų124.677%0.76867%0.67SS**SBendtrans-103.930.5-169.4-72.6-75.2-84.800114I165 G166I165-M169 HydrophobicContact CG2-CB 3.6Å; I165-M169 WeakPolarHBondContact CG2-O 3.24Å; G166-M169 PolarHBondContact O-N 2.88Å
170G55.3Low56.2Low70 Ų70122.6 Ų122.672%0.72267%0.669SS**  trans153.754.617200000116.3
171T44.9Very low55.1Low68 Ų68120.6 Ų120.642%0.41767%0.666SS.*  trans-97.4109.8164.61670000110K173 L174T171-K173 VanDerWaalsContact OG1-CB 3.24Å; T171-K173 WeakPolarHBondContact OG1-CB 3.44Å; T171-K173 PolarHBondContact OG1-N 2.79Å; T171-L174 HydrophobicContact CG2-CD1 4.48Å
172N51.3Low53.9Low137 Ų137123.1 Ų123.173%0.73368%0.677SS**  trans-79.34160.9-169.2-86.1000111.1L174N172-L174 PolarHBondContact O-N 3.44Å
173K46.8Very low52.8Low177 Ų177122 Ų12277%0.7767%0.674SS**  trans-74.110.5-177.9-54.1-176.6175-178.80113.8T171T171-K173 VanDerWaalsContact OG1-CB 3.24Å; T171-K173 WeakPolarHBondContact OG1-CB 3.44Å; T171-K173 PolarHBondContact OG1-N 2.79Å
174L53.1Low52.2Low135 Ų135119.3 Ų119.371%0.70768%0.678SS**SBendtrans-107.2159.9174.1-65.9164.5000109T171 N172 S176T171-L174 HydrophobicContact CG2-CD1 4.48Å; N172-L174 PolarHBondContact O-N 3.44Å; L174-S176 PolarHBondContact O-N 2.97Å; L174-S176 VanDerWaalsContact O-N 3.09Å
175A49.2Very low51.6Low94 Ų94117 Ų11778%0.77767%0.67SS**  trans-40.8112.2-167.400000114.3
176S54.3Low51Low73 Ų73123.1 Ų123.151%0.5169%0.687SS.*  trans-89.7125.8174.1179.50000109.8L174 K178L174-S176 PolarHBondContact O-N 2.97Å; L174-S176 VanDerWaalsContact O-N 3.09Å; S176-K178 PolarHBondContact O-N 3.22Å; S176-K178 VanDerWaalsContact O-N 3.1Å
177Q48Very low50.4Low167 Ų167128 Ų12878%0.7869%0.691SS**  trans-75.714.7177.4-160.5179.752.600112.8G179 M180Q177-G179 PolarHBondContact O-N 3.01Å; Q177-M180 HydrophobicContact CG-CB 4.31Å; Q177-M180 HydrophobicContact CG-CG 4.47Å
178K47.3Very low50Low171 Ų171128.3 Ų128.374%0.74369%0.687SS**THydrogen-bonded Turntrans-76.5118.7173.6-95.5-172.6172-175.30109.8S176S176-K178 PolarHBondContact O-N 3.22Å; S176-K178 VanDerWaalsContact O-N 3.1Å
179G51.3Low49.3Very low57 Ų57126.3 Ų126.359%0.58868%0.682SS**THydrogen-bonded Turntrans95.85.5176.900000115.2Q177 T181Q177-G179 PolarHBondContact O-N 3.01Å; G179-T181 PolarHBondContact O-N 3.16Å
180M48.3Very low48.7Very low124 Ų124128.5 Ų128.561%0.61168%0.683SS**  trans-75.8115.8168.4-75.3-140.362.200110.3Q177 S182Q177-M180 HydrophobicContact CG-CB 4.31Å; Q177-M180 HydrophobicContact CG-CG 4.47Å; M180-S182 PolarHBondContact O-N 3.29Å
181T54.9Low48Very low81 Ų81129.7 Ų129.750%0.49767%0.673SS.*PPolyproline II helixtrans-70.2124.8169.940.10000109.9G179G179-T181 PolarHBondContact O-N 3.16Å
182S48.1Very low48.1Very low89 Ų89131.5 Ų131.562%0.62270%0.695SS**PPolyproline II helixtrans-58.9141.5173.7-175.30000110.6M180 G184 T185M180-S182 PolarHBondContact O-N 3.29Å; S182-G184 PolarHBondContact O-N 3.32Å; S182-T185 PolarHBondContact O-N 2.71Å; S182-T185 VanDerWaalsContact O-N 3.15Å; S182-T185 PolarHBondContact O-OG1 3Å
183Y47.2Very low48Very low185 Ų185134 Ų13473%0.72570%0.699SS**THydrogen-bonded Turntrans-53125.1172.8-106.1-82.5000109.9T261Y183-T261 HydrophobicContact CE2-CG2 3.53Å; Y183-T261 VanDerWaalsContact OH-CG2 3.26Å; Y183-T261 WeakPolarHBondContact OH-CG2 3.43Å
184G54.1Low48.1Very low76 Ų76131.7 Ų131.778%0.78469%0.694SS**THydrogen-bonded Turntrans94.12.5179.800000116.1S182 R186S182-G184 PolarHBondContact O-N 3.32Å; G184-R186 PolarHBondContact O-N 3.01Å
185T48.8Very low47.6Very low88 Ų88129.3 Ų129.354%0.5469%0.693SS.*PPolyproline II helixtrans-72123.8174.8-44.50000110.4S182S182-T185 PolarHBondContact O-N 2.71Å; S182-T185 VanDerWaalsContact O-N 3.15Å; S182-T185 PolarHBondContact O-OG1 3Å
186R44.6Very low47.1Very low232 Ų232132 Ų13288%0.87569%0.692SS**PPolyproline II helixtrans-71.2133.3-179.7-62-148.8-93.9-131.33.5110.9G184G184-R186 PolarHBondContact O-N 3.01Å
187R47.7Very low46.8Very low149 Ų149136 Ų13656%0.56271%0.708SS**PPolyproline II helixtrans-81.3125.7172.8-67.7-177.7174.3166-0.3109.1
188H47.4Very low46.7Very low175 Ų175133.7 Ų133.781%0.8171%0.705SS**PPolyproline II helixtrans-71.1133.7167.5-79.9-106.8000109.2Y190H188-Y190 PolarHBondContact O-N 3.09Å
189L37Very low46.6Very low149 Ų149131.8 Ų131.878%0.7871%0.71SS**PPolyproline II helixtrans-70.6124.4173.9-162.967.4000107.6D191L189-D191 PolarHBondContact O-N 3.33Å
190Y43.5Very low46.4Very low202 Ų202135.6 Ų135.679%0.79272%0.722SS**PPolyproline II helixtrans-62.2119.5176.6-94.9-94000109.5H188 M196H188-Y190 PolarHBondContact O-N 3.09Å; Y190-M196 HydrophobicContact CE1-CE 4.4Å
191D39.5Very low46.1Very low95 Ų95135.1 Ų135.151%0.50872%0.721SS.*  trans-92.2112.9163.7-174.1-6.5000107.9L189 K193 I194L189-D191 PolarHBondContact O-N 3.33Å; D191-K193 PolarHBondContact O-N 3.26Å; D191-K193 PolarHBondContact OD1-N 2.94Å; D191-K193 VanDerWaalsContact OD1-N 3.09Å; D191-I194 HydrophobicContact CB-CD1 4.41Å; D191-I194 HydrophobicContact CB-CG1 4.42Å; D191-I194 PolarHBondContact O-N 3.35Å
192A47.9Very low45.9Very low106 Ų106140.6 Ų140.688%0.87674%0.742SS**THydrogen-bonded Turntrans-65.8-6.4-178.300000113.6
193K49.3Very low45.8Very low190 Ų190140.2 Ų140.283%0.82674%0.739SS**THydrogen-bonded Turntrans-93.6-7179.2-65.5-174.5178.8179.10114.7D191 A195D191-K193 PolarHBondContact O-N 3.26Å; D191-K193 PolarHBondContact OD1-N 2.94Å; D191-K193 VanDerWaalsContact OD1-N 3.09Å; K193-A195 PolarHBondContact O-N 3.38Å
194I47.9Very low45.9Very low127 Ų127136.8 Ų136.865%0.65174%0.737SS**SBendtrans-86.795.7170.5-56.2177.3000106.4D191 M196D191-I194 HydrophobicContact CB-CD1 4.41Å; D191-I194 HydrophobicContact CB-CG1 4.42Å; D191-I194 PolarHBondContact O-N 3.35Å; I194-M196 PolarHBondContact O-N 2.75Å; I194-M196 VanDerWaalsContact O-N 3.16Å
195A43.4Very low45.5Very low85 Ų85139.6 Ų139.670%0.70273%0.733SS**PPolyproline II helixtrans-48123.7170.200000108.6K193 D197K193-A195 PolarHBondContact O-N 3.38Å; A195-D197 PolarHBondContact O-N 3.19Å; A195-D197 VanDerWaalsContact O-N 3.13Å
196M39.6Very low45.5Very low152 Ų152139 Ų13975%0.74973%0.732SS**PPolyproline II helixtrans-57.8118.2165.7-71.6-96.5127.300106.3Y190 I194 T198Y190-M196 HydrophobicContact CE1-CE 4.4Å; I194-M196 PolarHBondContact O-N 2.75Å; I194-M196 VanDerWaalsContact O-N 3.16Å; M196-T198 PolarHBondContact O-N 3.2Å; M196-T198 VanDerWaalsContact O-N 3.14Å
197D46.3Very low45.4Very low156 Ų156135.7 Ų135.783%0.83473%0.731SS**PPolyproline II helixtrans-48.4125.3171.6-88.3-31.7000108A195A195-D197 PolarHBondContact O-N 3.19Å; A195-D197 VanDerWaalsContact O-N 3.13Å
198T46.6Very low45.3Very low118 Ų118137 Ų13772%0.72474%0.744SS**PPolyproline II helixtrans-51131.1175.343.10000108.5M196 V200M196-T198 PolarHBondContact O-N 3.2Å; M196-T198 VanDerWaalsContact O-N 3.14Å; T198-V200 PolarHBondContact O-N 3Å
199P44.1Very low44.9Very low131 Ų131135.8 Ų135.885%0.85174%0.74SS**  trans-58.5114.1179.522.4-31000108.7D201P199-D201 PolarHBondContact O-N 3.32Å
200V48.7Very low45.3Very low138 Ų138132.2 Ų132.284%0.83674%0.739SS**  trans-60.6136.1175.11650000108.6T198 Q202T198-V200 PolarHBondContact O-N 3Å; V200-Q202 PolarHBondContact O-N 3.1Å
201D40.9Very low45.2Very low113 Ų113126.2 Ų126.260%0.60472%0.724SS**  trans-18.7120.5176.7-171.39.8000115.3P199 S203P199-D201 PolarHBondContact O-N 3.32Å; D201-S203 PolarHBondContact O-N 3.39Å; D201-S203 WeakPolarHBondContact OD1-CB 3.29Å; D201-S203 PolarHBondContact OD1-N 3.16Å; D201-S203 PolarHBondContact OD1-OG 3.27Å; D201-S203 PolarHBondContact OD2-OG 3.3Å
202Q52.1Low45.6Very low197 Ų197128.4 Ų128.492%0.92174%0.736SS**THydrogen-bonded Turntrans-76.12.7-176.6-142.7165.79.100113V200V200-Q202 PolarHBondContact O-N 3.1Å
203S44.9Very low45.3Very low81 Ų81132.5 Ų132.557%0.56673%0.734SS**THydrogen-bonded Turntrans-84.5-15.5-175.1760000114.6D201D201-S203 PolarHBondContact O-N 3.39Å; D201-S203 WeakPolarHBondContact OD1-CB 3.29Å; D201-S203 PolarHBondContact OD1-N 3.16Å; D201-S203 PolarHBondContact OD1-OG 3.27Å; D201-S203 PolarHBondContact OD2-OG 3.3Å
204T48.7Very low45.3Very low113 Ų113125.8 Ų125.869%0.69372%0.718SS**  trans-126.2101-173.7-48.40000112S206T204-S206 PolarHBondContact O-N 3.13Å
205I46.3Very low45.1Very low134 Ų134125.2 Ų125.269%0.68773%0.732SS**  trans-78.6109.2177.4-58.6171.8000108.9M209I205-M209 HydrophobicContact CG2-CB 4.03Å; I205-M209 HydrophobicContact CG2-CE 4.27Å
206S49.2Very low45.3Very low75 Ų75125.4 Ų125.452%0.52473%0.728SS.*  trans-73.6146.6172.257.60000111.1T204 Q208 M209T204-S206 PolarHBondContact O-N 3.13Å; S206-Q208 PolarHBondContact O-N 3.2Å; S206-M209 PolarHBondContact O-N 3.22Å; S206-M209 VanDerWaalsContact O-N 3.16Å
207L43.3Very low45.5Very low163 Ų163125.6 Ų125.685%0.85373%0.727SS**G310 helixtrans-55.5-10.2-170.2-149.375.5000114.9M209 T211L207-M209 VanDerWaalsContact C-N 3.35Å; L207-T211 WeakPolarHBondContact O-CG2 3.26Å
208Q43.8Very low45.3Very low177 Ų177122.2 Ų122.283%0.82772%0.722SS**G310 helixtrans-80.9-12.3-178.4-145.2171.13.600113.8S206 G210S206-Q208 PolarHBondContact O-N 3.2Å; Q208-G210 VanDerWaalsContact C-N 3.31Å; Q208-G210 PolarHBondContact O-N 3.19Å
209M40.8Very low45.2Very low149 Ų149120.3 Ų120.373%0.73473%0.725SS**G310 helixtrans-84.45.6-178.8-68.5-123.4-84.200114.8I205 S206 L207I205-M209 HydrophobicContact CG2-CB 4.03Å; I205-M209 HydrophobicContact CG2-CE 4.27Å; S206-M209 PolarHBondContact O-N 3.22Å; S206-M209 VanDerWaalsContact O-N 3.16Å; L207-M209 VanDerWaalsContact C-N 3.35Å
210G44.3Very low45Very low74 Ų74121.1 Ų121.176%0.76372%0.719SS**SBendtrans-1461.1-175.500000117.2Q208Q208-G210 VanDerWaalsContact C-N 3.31Å; Q208-G210 PolarHBondContact O-N 3.19Å
211T42Very low44.8Very low76 Ų76119.3 Ų119.347%0.46670%0.703SS.*  trans-94.5126.5-179.9119.10000111.2L207 K213L207-T211 WeakPolarHBondContact O-CG2 3.26Å; T211-K213 PolarHBondContact O-N 2.66Å; T211-K213 PolarHBondContact OG1-N 3.46Å; T211-K213 VanDerWaalsContact OG1-N 3.14Å
212N48.1Very low45Very low142 Ų142117.1 Ų117.176%0.75970%0.7SS**THydrogen-bonded Turntrans-82.810.4165.971.7-8.7000112.8G214N212-G214 VanDerWaalsContact C-N 3.33Å
213K39.9Very low44.2Very low192 Ų192114.4 Ų114.484%0.83570%0.7SS**THydrogen-bonded Turntrans-89.83.9-178.9-67.6-171.6176.9-179.20113.3T211T211-K213 PolarHBondContact O-N 2.66Å; T211-K213 PolarHBondContact OG1-N 3.46Å; T211-K213 VanDerWaalsContact OG1-N 3.14Å
214G50.5Low44.2Very low48 Ų48114.7 Ų114.750%0.49572%0.716SS.*SBendtrans-88.6155.216700000111.4N212 S216N212-G214 VanDerWaalsContact C-N 3.33Å; G214-S216 PolarHBondContact O-N 3.5Å
215A43Very low43.9Very low115 Ų115113.3 Ų113.395%0.9571%0.707SS**  trans-54.9102.2178.100000111.1
216S48.4Very low43.4Very low89 Ų89117.8 Ų117.862%0.62272%0.716SS**  trans-83.2130.8172.1173.40000108.6G214 A218G214-S216 PolarHBondContact O-N 3.5Å; S216-A218 PolarHBondContact O-N 3.32Å; S216-A218 VanDerWaalsContact OG-CB 3.23Å; S216-A218 WeakPolarHBondContact OG-CB 3.1Å; S216-A218 PolarHBondContact OG-N 2.79Å
217Q44.1Very low43.1Very low156 Ų156124.9 Ų124.973%0.72973%0.731SS**  trans-682.3173.2-163.1175.146.600112.6G219 M220Q217-G219 PolarHBondContact O-N 3.17Å; Q217-M220 HydrophobicContact CG-CB 4.07Å; Q217-M220 HydrophobicContact CG-CG 4.13Å; Q217-M220 HydrophobicContact CG-SD 3.88Å; Q217-M220 PolarHBondContact O-N 3.32Å
218A41.3Very low42.9Very low86 Ų86124.7 Ų124.771%0.71173%0.725SS**THydrogen-bonded Turntrans-63.3107.8171.800000110.1S216S216-A218 PolarHBondContact O-N 3.32Å; S216-A218 VanDerWaalsContact OG-CB 3.23Å; S216-A218 WeakPolarHBondContact OG-CB 3.1Å; S216-A218 PolarHBondContact OG-N 2.79Å
219G45.1Very low42.8Very low78 Ų78124.3 Ų124.380%0.80473%0.727SS**THydrogen-bonded Turntrans112.2-0.5179.900000115.3Q217 M221Q217-G219 PolarHBondContact O-N 3.17Å; G219-M221 PolarHBondContact O-N 3.16Å
220M40.3Very low43.1Very low147 Ų147126 Ų12672%0.72473%0.731SS**  trans-78107.2170.1-69.7-167.57200110.4Q217Q217-M220 HydrophobicContact CG-CB 4.07Å; Q217-M220 HydrophobicContact CG-CG 4.13Å; Q217-M220 HydrophobicContact CG-SD 3.88Å; Q217-M220 PolarHBondContact O-N 3.32Å
221M44.4Very low42.9Very low101 Ų101127.8 Ų127.850%0.49872%0.723SS.*PPolyproline II helixtrans-78.4141.2169.5-81.1162.563.200110.6G219 T225 R226G219-M221 PolarHBondContact O-N 3.16Å; M221-T225 VanDerWaalsContact CE-C 3.48Å; M221-T225 HydrophobicContact CE-CG2 3.44Å; M221-T225 VanDerWaalsContact CE-CG2 3.44Å; M221-T225 VanDerWaalsContact CE-O 3.23Å; M221-T225 WeakPolarHBondContact CE-O 3.35Å; M221-R226 WeakPolarHBondContact CE-O 3.02Å
222A43.7Very low43.2Very low66 Ų66134 Ų13455%0.54574%0.743SS.*PPolyproline II helixtrans-57.2143.117400000110.9G224 T225A222-G224 PolarHBondContact O-N 3.41Å; A222-G224 VanDerWaalsContact O-N 3.17Å; A222-T225 PolarHBondContact O-N 2.96Å; A222-T225 PolarHBondContact O-OG1 2.97Å; A222-T225 VanDerWaalsContact O-OG1 3.08Å
223P36.7Very low43.2Very low141 Ų141135.6 Ų135.692%0.91674%0.743SS**THydrogen-bonded Turntrans-52.1123.3178.7-21.730.6000110.7
224G44.9Very low43.5Very low87 Ų87132.9 Ų132.990%0.89774%0.737SS**THydrogen-bonded Turntrans107.1-3.9179.400000116.2A222A222-G224 PolarHBondContact O-N 3.41Å; A222-G224 VanDerWaalsContact O-N 3.17Å
225T41.2Very low43.2Very low84 Ų84140.1 Ų140.152%0.51576%0.758SS.*PPolyproline II helixtrans-89.4129.6179.5-38.20000111.3M221 A222M221-T225 VanDerWaalsContact CE-C 3.48Å; M221-T225 HydrophobicContact CE-CG2 3.44Å; M221-T225 VanDerWaalsContact CE-CG2 3.44Å; M221-T225 VanDerWaalsContact CE-O 3.23Å; M221-T225 WeakPolarHBondContact CE-O 3.35Å; A222-T225 PolarHBondContact O-N 2.96Å; A222-T225 PolarHBondContact O-OG1 2.97Å; A222-T225 VanDerWaalsContact O-OG1 3.08Å
226R35.9Very low43.5Very low228 Ų228141.8 Ų141.886%0.8675%0.751SS**PPolyproline II helixtrans-70.8128.4-175.3-125.7-175.6-169.4-166.43.6111.6M221M221-R226 WeakPolarHBondContact CE-O 3.02Å
227R42.8Very low43.2Very low223 Ų223145.7 Ų145.784%0.84276%0.759SS**PPolyproline II helixtrans-75.5130.3176.1-64-174.8-178.6-172.40.6110.7
228H40.5Very low43.3Very low159 Ų159148 Ų14874%0.73677%0.767SS**PPolyproline II helixtrans-85.3125.9165.6-78.4-122.9000109.1F230H228-F230 HydrophobicContact CB-CE2 4.26Å; H228-F230 PolarHBondContact O-N 3.16Å
229I40.9Very low43.4Very low169 Ų169149.1 Ų149.187%0.86777%0.768SS**  trans-81.8111.9173.7-58.8176.9000107.1
230F46.5Very low43.2Very low184 Ų184151.5 Ų151.581%0.80776%0.762SS**  trans-86.4123.5171-80-87.5000109.7H228H228-F230 HydrophobicContact CB-CE2 4.26Å; H228-F230 PolarHBondContact O-N 3.16Å
231D39.8Very low43.7Very low112 Ų112150.2 Ų150.260%0.59976%0.763SS**  trans-73.9124.7174.7-169.7-9.5000110.1K233D231-K233 PolarHBondContact O-N 3.47Å; D231-K233 VanDerWaalsContact O-N 3.13Å; D231-K233 PolarHBondContact OD1-N 3.44Å
232K49.7Very low43.8Very low207 Ų207149.4 Ų149.490%0.977%0.767SS**THydrogen-bonded Turntrans-68.9-3.1-178.8-79-178.8175.6176.90113.7
233K47Very low44Very low175 Ų175152.2 Ų152.276%0.76178%0.778SS**THydrogen-bonded Turntrans-81.7-10.4-178.7-76.5-175.8176.9179.30115.5D231 Q235D231-K233 PolarHBondContact O-N 3.47Å; D231-K233 VanDerWaalsContact O-N 3.13Å; D231-K233 PolarHBondContact OD1-N 3.44Å; K233-Q235 PolarHBondContact O-N 3Å
234L46.8Very low44.5Very low135 Ų135151.8 Ų151.871%0.70777%0.766SS**SBendtrans-77106.3167.6-90.495.3000109L236L234-L236 PolarHBondContact O-N 3.38Å
235Q43.3Very low44.3Very low200 Ų200151.4 Ų151.494%0.93575%0.75SS**  trans-64.365.8174.3-63.6177.1-1.100111.4K233 E237K233-Q235 PolarHBondContact O-N 3Å; Q235-E237 PolarHBondContact O-N 3.4Å
236L49.3Very low44.4Very low151 Ų151156.3 Ų156.379%0.79177%0.772SS**  trans-76.1117167.3-87.1154.6000108.1L234 K238L234-L236 PolarHBondContact O-N 3.38Å; L236-K238 PolarHBondContact O-N 3.4Å
237E42.6Very low44.7Very low170 Ų170153.4 Ų153.479%0.79477%0.768SS**  trans-35.4124.4173.7-82.4-80.2143.700112.1Q235 C239Q235-E237 PolarHBondContact O-N 3.4Å; E237-C239 VanDerWaalsContact C-N 3.35Å; E237-C239 PolarHBondContact O-N 3.46Å
238K45.8Very low44.6Very low205 Ų205150.9 Ų150.989%0.89177%0.768SS**  trans-70.593.8172.6-117.9-179179.4179.70107.6L236 D240L236-K238 PolarHBondContact O-N 3.4Å; K238-D240 PolarHBondContact O-N 3.05Å
239C44.9Very low45.1Very low110 Ų110146.9 Ų146.974%0.74377%0.769SS**  trans-62.1124.2173.6-71.10000109.8E237 T241E237-C239 VanDerWaalsContact C-N 3.35Å; E237-C239 PolarHBondContact O-N 3.46Å; C239-T241 PolarHBondContact O-N 3.23Å
240D40.3Very low45.2Very low127 Ų127143.8 Ų143.868%0.67976%0.759SS**  trans-61.4122.8178.8-174.19.5000110.3K238 S242K238-D240 PolarHBondContact O-N 3.05Å; D240-S242 WeakPolarHBondContact OD1-CB 3.27Å; D240-S242 PolarHBondContact OD1-N 3.23Å; D240-S242 PolarHBondContact OD1-OG 3.05Å; D240-S242 PolarHBondContact OD2-OG 3.46Å
241T51.4Low45.2Very low121 Ų121141.9 Ų141.974%0.74276%0.757SS**  trans-96.47.9-178.8-18.30000111.9C239 T243C239-T241 PolarHBondContact O-N 3.23Å; T241-T243 VanDerWaalsContact C-N 3.29Å; T241-T243 PolarHBondContact O-N 2.95Å
242S46.3Very low45.3Very low83 Ų83146 Ų14658%0.5877%0.77SS**  trans-71.3-15.3-171.168.80000115.1D240D240-S242 WeakPolarHBondContact OD1-CB 3.27Å; D240-S242 PolarHBondContact OD1-N 3.23Å; D240-S242 PolarHBondContact OD1-OG 3.05Å; D240-S242 PolarHBondContact OD2-OG 3.46Å
243T46.6Very low45.3Very low125 Ų125141.6 Ų141.677%0.76776%0.759SS**  trans-12092.9-17737.50000111.6T241T241-T243 VanDerWaalsContact C-N 3.29Å; T241-T243 PolarHBondContact O-N 2.95Å
244I47.1Very low45.1Very low132 Ų132138.4 Ų138.468%0.67777%0.766SS**  trans-95.5119167.8-62.8172.5000107.5
245S41.7Very low45.2Very low79 Ų79135.2 Ų135.255%0.55276%0.755SS**  trans-71.5140.9179.751.60000112Q247S245-Q247 PolarHBondContact O-N 3.14Å
246L44.2Very low45.3Very low187 Ų187132.2 Ų132.298%0.97974%0.741SS**SBendtrans-7520.8-174.4-147.384.2000114.4
247Q42.1Very low44.9Very low167 Ų167131.1 Ų131.178%0.7873%0.732SS**  trans-120.449.6-179.9-156.2-179.51.200110.9S245S245-Q247 PolarHBondContact O-N 3.14Å
248M40.8Very low45.2Very low171 Ų171126.4 Ų126.484%0.84273%0.728SS**  trans-83.3112.6165-89-118.9-90.800109.7
249G49.2Very low45.2Very low74 Ų74122.1 Ų122.176%0.76371%0.713SS**  trans109.293.4159.300000114.9
250T44.1Very low45.5Very low104 Ų104120.1 Ų120.164%0.63870%0.698SS**  trans-121.3118.3155.273.50000108.5K252T250-K252 PolarHBondContact O-N 3.13Å
251N46.4Very low45.9Very low145 Ų145116 Ų11678%0.77568%0.677SS**  trans-97.932.4-170.5-138.510.5000112.8
252K42.7Very low45.4Very low199 Ų199120.9 Ų120.987%0.86568%0.683SS**  trans-94.820.5-167.4-68.6-165.7176.7-174.80115.5T250T250-K252 PolarHBondContact O-N 3.13Å
253V49.8Very low45.5Very low113 Ų113120.9 Ų120.969%0.68570%0.696SS**SBendtrans-135.2161.2174.1-75.50000111.4S255V253-S255 PolarHBondContact O-N 3.16Å
254A42.5Very low45.2Very low109 Ų109119.1 Ų119.190%0.90168%0.682SS**  trans-50.6119.7-171.100000113
255S47.7Very low45Very low67 Ų67117.9 Ų117.947%0.46968%0.683SS.*  trans-96.7134.9175.61770000109.2V253 Q257V253-S255 PolarHBondContact O-N 3.16Å; S255-Q257 PolarHBondContact O-N 3.23Å; S255-Q257 VanDerWaalsContact OG-CB 3.26Å; S255-Q257 WeakPolarHBondContact OG-CB 3.23Å; S255-Q257 VanDerWaalsContact OG-CG 3.29Å; S255-Q257 WeakPolarHBondContact OG-CG 3.26Å; S255-Q257 PolarHBondContact OG-N 2.95Å; S255-Q257 VanDerWaalsContact OG-N 3.16Å; S255-Q257 PolarHBondContact OG-OE1 3.14Å
256Q46Very low45.1Very low137 Ų137124.6 Ų124.664%0.6470%0.696SS**  trans-78.69.7169.8-69.4-172.960.500112.5G258 M259Q256-G258 PolarHBondContact O-N 2.87Å; Q256-M259 HydrophobicContact CB-CG 4.44Å; Q256-M259 HydrophobicContact CB-SD 4.03Å; Q256-M259 HydrophobicContact CG-SD 3.86Å; Q256-M259 PolarHBondContact O-N 3.15Å; Q256-M259 VanDerWaalsContact O-N 3.16Å
257Q41.9Very low45.2Very low129 Ų129123.2 Ų123.260%0.60368%0.684SS**THydrogen-bonded Turntrans-54.2128172.9-87.1-178.8-52.600110.6S255S255-Q257 PolarHBondContact O-N 3.23Å; S255-Q257 VanDerWaalsContact OG-CB 3.26Å; S255-Q257 WeakPolarHBondContact OG-CB 3.23Å; S255-Q257 VanDerWaalsContact OG-CG 3.29Å; S255-Q257 WeakPolarHBondContact OG-CG 3.26Å; S255-Q257 PolarHBondContact OG-N 2.95Å; S255-Q257 VanDerWaalsContact OG-N 3.16Å; S255-Q257 PolarHBondContact OG-OE1 3.14Å
258G48Very low45.2Very low70 Ų70121.4 Ų121.472%0.72269%0.685SS**THydrogen-bonded Turntrans90.10.1179.100000115.2Q256 T260Q256-G258 PolarHBondContact O-N 2.87Å; G258-T260 PolarHBondContact O-N 2.74Å
259M44.6Very low45.4Very low116 Ų116122.2 Ų122.257%0.57168%0.679SS**PPolyproline II helixtrans-73122.3172.9-71.7-169.270.600111.3Q256Q256-M259 HydrophobicContact CB-CG 4.44Å; Q256-M259 HydrophobicContact CB-SD 4.03Å; Q256-M259 HydrophobicContact CG-SD 3.86Å; Q256-M259 PolarHBondContact O-N 3.15Å; Q256-M259 VanDerWaalsContact O-N 3.16Å
260T52.5Low45.1Very low68 Ų68122.3 Ų122.342%0.41766%0.663SS.*PPolyproline II helixtrans-91140.9173.963.50000109.8G258G258-T260 PolarHBondContact O-N 2.74Å
261T47.4Very low45.3Very low40 Ų40122.2 Ų122.225%0.24566%0.662CS.*PPolyproline II helixtrans-57.3143.2-178.1-32.30000112.8Y183 G263Y183-T261 HydrophobicContact CE2-CG2 3.53Å; Y183-T261 VanDerWaalsContact OH-CG2 3.26Å; Y183-T261 WeakPolarHBondContact OH-CG2 3.43Å; T261-G263 PolarHBondContact O-N 3.22Å
262Y41.3Very low45.4Very low223 Ų223122.7 Ų122.788%0.87566%0.657SS**THydrogen-bonded Turntrans-48.7125.9178.1-85.6-88.9000111.4
263G49.5Very low45.6Very low83 Ų83121.3 Ų121.386%0.85665%0.648SS**THydrogen-bonded Turntrans107.2-1.3174.400000116.6T261T261-G263 PolarHBondContact O-N 3.22Å
264L40.1Very low45.5Very low88 Ų88118.1 Ų118.146%0.46163%0.63SS.*PPolyproline II helixtrans-85.3133.5172.2-80.8161.7000111.4R266L264-R266 PolarHBondContact O-N 3.28Å
265P43.2Very low45.8Very low107 Ų107117.7 Ų117.770%0.69563%0.626SS**PPolyproline II helixtrans-63133.2173.324.9-31000109.8
266R43.5Very low45.6Very low219 Ų219120 Ų12083%0.82663%0.633SS**PPolyproline II helixtrans-71.9140.2169.8-61.2-173.4-168.3-130.23.9107.8L264 V268L264-R266 PolarHBondContact O-N 3.28Å; R266-V268 PolarHBondContact O-N 3.08Å
267Q45.8Very low45.7Very low158 Ų158119.2 Ų119.274%0.73864%0.64SS**  trans-63.5108.6166.1-87.2174.1-22.400107.4Y269Q267-Y269 PolarHBondContact O-N 3.17Å
268V43.2Very low45.9Very low130 Ų130117.8 Ų117.879%0.78864%0.64SS**  trans-77.2117169.5179.80000105.9R266 D270R266-V268 PolarHBondContact O-N 3.08Å; V268-D270 PolarHBondContact O-N 3.24Å; V268-D270 VanDerWaalsContact O-N 3.16Å
269Y44.3Very low45.7Very low187 Ų187121.8 Ų121.873%0.73365%0.645SS**  trans-65.9109.2166.3-99.4-101.2000107.3Q267 C274Q267-Y269 PolarHBondContact O-N 3.17Å; Y269-C274 HydrophobicContact CD1-CB 3.59Å; Y269-C274 WeakPolarHBondContact CD1-SG 3.23Å; Y269-C274 HydrophobicContact CE1-CB 3.96Å; Y269-C274 VanDerWaalsContact CE1-SG 3.59Å
270D42.9Very low45.4Very low77 Ų77121.8 Ų121.841%0.41265%0.651SS.*  trans-84.7115.6171.8-176.7-6.4000108.3V268 K272 Y273 C274V268-D270 PolarHBondContact O-N 3.24Å; V268-D270 VanDerWaalsContact O-N 3.16Å; D270-K272 PolarHBondContact O-N 3.09Å; D270-K272 VanDerWaalsContact OD1-CB 3.27Å; D270-K272 WeakPolarHBondContact OD1-CB 3.29Å; D270-K272 PolarHBondContact OD1-N 3.07Å; D270-Y273 HydrophobicContact CB-CD2 4.09Å; D270-Y273 PolarHBondContact O-N 3.24Å; D270-Y273 WeakPolarHBondContact OD2-CD2 3.36Å; D270-Y273 WeakPolarHBondContact OD2-CE2 3.47Å; D270-C274 PolarHBondContact O-N 3.31Å
271T47.9Very low44.5Very low101 Ų101128.5 Ų128.562%0.6267%0.671SS**THydrogen-bonded Turntrans-55.7-16.9178-14.20000113.1
272K48.5Very low43.9Very low156 Ų156136.6 Ų136.668%0.67870%0.698SS**THydrogen-bonded Turntrans-71.9-25.2174.5-171.4176.2178.7-174.80113.9D270D270-K272 PolarHBondContact O-N 3.09Å; D270-K272 VanDerWaalsContact OD1-CB 3.27Å; D270-K272 WeakPolarHBondContact OD1-CB 3.29Å; D270-K272 PolarHBondContact OD1-N 3.07Å
273Y46.8Very low43.7Very low170 Ų170133.1 Ų133.167%0.66770%0.695SS**THydrogen-bonded Turntrans-1230.1-174.1-54.7-71.9000113.9D270D270-Y273 HydrophobicContact CB-CD2 4.09Å; D270-Y273 PolarHBondContact O-N 3.24Å; D270-Y273 WeakPolarHBondContact OD2-CD2 3.36Å; D270-Y273 WeakPolarHBondContact OD2-CE2 3.47Å
274C48.1Very low42.9Very low46 Ų46136.9 Ų136.931%0.31170%0.695SS.*SBendtrans-119.6116.3177.8-59.50000109.2Y269 D270 N276Y269-C274 HydrophobicContact CD1-CB 3.59Å; Y269-C274 WeakPolarHBondContact CD1-SG 3.23Å; Y269-C274 HydrophobicContact CE1-CB 3.96Å; Y269-C274 VanDerWaalsContact CE1-SG 3.59Å; D270-C274 PolarHBondContact O-N 3.31Å; C274-N276 PolarHBondContact O-N 3.23Å
275A49.5Very low42.6Very low100 Ų100135.9 Ų135.983%0.82671%0.706SS**  trans-61126.8175.700000109.9
276N42.6Very low42.2Very low114 Ų114136.1 Ų136.161%0.6171%0.71SS**  trans-67.4125.4175.8-87.3-35.7000109.8C274 V278C274-N276 PolarHBondContact O-N 3.23Å; N276-V278 HydrophobicContact CB-CG2 4.34Å; N276-V278 PolarHBondContact O-N 3.48Å
277P47.7Very low41.7Very low122 Ų122134.6 Ų134.679%0.79271%0.713SS**THydrogen-bonded Turntrans-83.743.3179.535.2-34.7000111.8
278V45.9Very low41.1Very low99 Ų99131.6 Ų131.660%0.671%0.714SS**THydrogen-bonded Turntrans-109.9-9.6-177.5-153.80000113.3N276N276-V278 HydrophobicContact CB-CG2 4.34Å; N276-V278 PolarHBondContact O-N 3.48Å
279D45Very low40.6Very low154 Ų154135 Ų13582%0.82472%0.722SS**  trans-105.279.3172.8-72.4-34.6000111
280T37.9Very low40Very low115 Ų115134.8 Ų134.871%0.70673%0.725SS**  trans-165.771.8150.913.80000108.2Y282T280-Y282 HydrophobicContact CG2-CE2 4.35Å; T280-Y282 PolarHBondContact O-N 3.43Å
281Y33.3Very low39.6Very low209 Ų209137.3 Ų137.382%0.8274%0.739SS**  trans-65.4108.4159.3-93.7-93.8000108.5
282Y35.7Very low38.9Very low211 Ų211135.5 Ų135.583%0.82774%0.74SS**  trans-105.499.8153.8-86-81.1000107.7T280T280-Y282 HydrophobicContact CG2-CE2 4.35Å; T280-Y282 PolarHBondContact O-N 3.43Å
283N35.5Very low38.2Very low150 Ų150138.9 Ų138.980%0.80275%0.75SS**  trans-80.9122.6173-156.22.7000107.8
284N34Very low37.7Very low162 Ų162137.5 Ų137.587%0.86675%0.754SS**  trans-84.4116.1177.2-88.7-13.7000110.1
285G33.6Very low37Very low67 Ų67143.8 Ų143.869%0.69178%0.779SS**  trans124.5108146.700000118.5
286S33.4Very low36.3Very low111 Ų111150.3 Ų150.378%0.77678%0.784SS**  trans61.6112.4142.658.70000122.7
287E33.4Very low36.2Very low188 Ų188149.4 Ų149.488%0.87979%0.786SS**  trans63.4103.8133.2-70.5179.9160.100121.3
288A34.6Very low35.7Very low94 Ų94155.1 Ų155.178%0.77781%0.811SS**  34.3116.2128.300000119.5
289E32.9Very low35.2Very low203 Ų203158 Ų15895%0.94982%0.821SS**  -167.7154.8101.4-104.1176.5177.900111.5
290F31.6Very low34.7Very low181 Ų181158.2 Ų158.279%0.79482%0.821SS**  trans-102.2167.2-165.9166.2-101.2000110.6
291D34Very low34.5Very low131 Ų131160.6 Ų160.670%0.70183%0.827SS**  trans83.9122.3179.8-63.2-41.8000116.5
292G32.7Very low34.6Very low63 Ų63157.7 Ų157.765%0.64983%0.828SS**  cis108.390.717.600000111.3
293Y34.5Very low34.5Very low227 Ų227154.4 Ų154.489%0.8983%0.828SS**  trans155.2124130.9-99.4-90.6000115.2
294N35.5Very low34.4Very low140 Ų140154.7 Ų154.775%0.74983%0.83SS**  trans-0.5137.7151.6-79.7-28.4000121.1
295Q33.3Very low34.4Very low178 Ų178154.1 Ų154.183%0.83283%0.827SS**  trans-160.1113131.4-112.2166.29.200111.2
296Y35Very low34.5Very low237 Ų237160.8 Ų160.893%0.92984%0.838SS**  trans-122.9126.6146.1-98.8-84.2000106.5
297S40.6Very low34.6Very low95 Ų95165 Ų16566%0.66484%0.843SS**  trans-99.2146.6169.1-62.40000109
298D37.1Very low34.7Very low243 Ų243162.9 Ų162.9100%1.29984%0.839SS**  trans71.80174.6-61.9-22.4000119.3

Retrieved 298 of 298 residues in 288.8 ms (Link to these results)

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