X5D9F9_HUMAN Loading...

Tuberous sclerosis 2 isoform O

AlphaFold DB , UniProt , Accession X5D9F9, Species HUMAN (Homo sapiens, Human), Gene TSC2, Length 155 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
1M38.7Very low49.6Very low247 Ų247132.5 Ų132.5100%1.21776%0.762SS**  0111.30-70.5174.4-162.400108.4
2A42.8Very low50.5Low107 Ų107130.4 Ų130.488%0.88474%0.738SS**PPolyproline II helixtrans-90123.9176.700000109.5
3K44.8Very low51.4Low199 Ų199130.2 Ų130.287%0.86573%0.727SS**PPolyproline II helixtrans-84.2135172.2-78.9171.2173.3171.60108.8
4P46.9Very low52.2Low118 Ų118127.1 Ų127.177%0.76670%0.702SS**PPolyproline II helixtrans-74.1137-171.228.5-32.1000112.1
5T52.2Low53Low138 Ų138120.6 Ų120.685%0.84766%0.664SS**PPolyproline II helixtrans-68.3120.2166.148.40000110.4
6S45.8Very low53.5Low109 Ų109120.8 Ų120.876%0.76266%0.656SS**  trans-125.494.3171.1-82.10000112.2D8S6-D8 PolarHBondContact O-N 3.42Å
7K52.5Low54.2Low213 Ų213120.9 Ų120.993%0.92665%0.654SS**  25.674126.8-98.9164.9174.3170.10117.4
8D52.5Low54.8Low112 Ų112121.3 Ų121.360%0.59966%0.655SS**  trans-102.13.2162.6-178.5-101.3000112.3S6 K12S6-D8 PolarHBondContact O-N 3.42Å; D8-K12 WeakPolarHBondContact O-CG 3.43Å; D8-K12 PolarHBondContact O-NZ 3.34Å; D8-K12 IonicContact OD1-NZ 2.85Å; D8-K12 PolarHBondContact OD1-NZ 2.78Å
9S51.4Low55.1Low66 Ų66117.8 Ų117.846%0.46264%0.636SS.*Hα-helixtrans-89.5-26.8-170.8-64.90000116.2L11 K12 E13S9-L11 PolarHBondContact O-N 3.06Å; S9-K12 VanDerWaalsContact O-CG 3.27Å; S9-K12 WeakPolarHBondContact O-CG 3.29Å; S9-K12 VanDerWaalsContact OG-CE 3.29Å; S9-K12 WeakPolarHBondContact OG-CE 3.28Å; S9-K12 PolarHBondContact OG-NZ 3.45Å; S9-K12 VanDerWaalsContact OG-NZ 3.11Å; S9-E13 WeakPolarHBondContact O-CB 3.46Å; S9-E13 PolarHBondContact O-N 3.33Å
10G54.3Low55.3Low55 Ų55114.9 Ų114.957%0.56763%0.634SS**Hα-helixtrans-74-25.6-175.100000114.9K14G10-K14 WeakPolarHBondContact O-CG 3.35Å; G10-K14 PolarHBondContact O-N 3.48Å
11L63.7Low55.6Low94 Ų94115.4 Ų115.449%0.49264%0.636SS.*Hα-helixtrans-80.9-46.8180-139.8113.2000111.4S9 E13 K14 F15S9-L11 PolarHBondContact O-N 3.06Å; L11-E13 VanDerWaalsContact C-N 3.28Å; L11-E13 PolarHBondContact O-N 3.43Å; L11-K14 WeakPolarHBondContact O-CG 3.27Å; L11-K14 PolarHBondContact O-N 3.37Å; L11-F15 HydrophobicContact CD2-CD2 4.06Å; L11-F15 HydrophobicContact CD2-CE2 3.87Å; L11-F15 HydrophobicContact CG-CD2 4.35Å; L11-F15 HydrophobicContact CG-CE2 4.35Å; L11-F15 WeakPolarHBondContact O-CD2 3.14Å; L11-F15 PolarHBondContact O-N 3.39Å
12K59.9Low56Low107 Ų107105.8 Ų105.847%0.46560%0.599SS.*Hα-helixtrans-61.9-35.3177.657.7177.3172.6-99.50113.2D8 S9 K16D8-K12 WeakPolarHBondContact O-CG 3.43Å; D8-K12 PolarHBondContact O-NZ 3.34Å; D8-K12 IonicContact OD1-NZ 2.85Å; D8-K12 PolarHBondContact OD1-NZ 2.78Å; S9-K12 VanDerWaalsContact O-CG 3.27Å; S9-K12 WeakPolarHBondContact O-CG 3.29Å; S9-K12 VanDerWaalsContact OG-CE 3.29Å; S9-K12 WeakPolarHBondContact OG-CE 3.28Å; S9-K12 PolarHBondContact OG-NZ 3.45Å; S9-K12 VanDerWaalsContact OG-NZ 3.11Å; K12-K16 WeakPolarHBondContact O-CB 3.32Å; K12-K16 PolarHBondContact O-N 3.46Å
13E62.3Low56.2Low128 Ų128107.3 Ų107.360%0.59860%0.598SS**Hα-helixtrans-74.6-42.7-178-156.1159.496.700111.7S9 L11 F15 K16 I17S9-E13 WeakPolarHBondContact O-CB 3.46Å; S9-E13 PolarHBondContact O-N 3.33Å; L11-E13 VanDerWaalsContact C-N 3.28Å; L11-E13 PolarHBondContact O-N 3.43Å; E13-F15 VanDerWaalsContact C-N 3.32Å; E13-F15 PolarHBondContact O-N 3.18Å; E13-K16 PolarHBondContact O-N 2.89Å; E13-I17 WeakPolarHBondContact O-CD1 3.31Å; E13-I17 VanDerWaalsContact O-CG1 3.28Å; E13-I17 WeakPolarHBondContact O-CG1 3.39Å; E13-I17 PolarHBondContact O-N 3.41Å; E13-I17 VanDerWaalsContact O-N 3.13Å
14K62.6Low56.2Low87 Ų87103.7 Ų103.738%0.37860%0.595SS.*Hα-helixtrans-64.2-36.5173.268.7170.3177.7-99.30112.7G10 L11 K16 I17 L18G10-K14 WeakPolarHBondContact O-CG 3.35Å; G10-K14 PolarHBondContact O-N 3.48Å; L11-K14 WeakPolarHBondContact O-CG 3.27Å; L11-K14 PolarHBondContact O-N 3.37Å; K14-K16 VanDerWaalsContact C-N 3.35Å; K14-I17 PolarHBondContact O-N 3.33Å; K14-L18 WeakPolarHBondContact O-CB 3.24Å; K14-L18 PolarHBondContact O-N 3.31Å
15F64.4Low56.3Low29 Ų29109.2 Ų109.213%0.12760%0.6CS.*Hα-helixtrans-69.7-33.2176.6-93.6-85.7000111.8L11 E13 I17 L18 L19L11-F15 HydrophobicContact CD2-CD2 4.06Å; L11-F15 HydrophobicContact CD2-CE2 3.87Å; L11-F15 HydrophobicContact CG-CD2 4.35Å; L11-F15 HydrophobicContact CG-CE2 4.35Å; L11-F15 WeakPolarHBondContact O-CD2 3.14Å; L11-F15 PolarHBondContact O-N 3.39Å; E13-F15 VanDerWaalsContact C-N 3.32Å; E13-F15 PolarHBondContact O-N 3.18Å; F15-I17 VanDerWaalsContact C-N 3.31Å; F15-I17 PolarHBondContact O-N 2.82Å; F15-L18 PolarHBondContact O-N 3.13Å; F15-L19 HydrophobicContact CD1-CD1 3.9Å; F15-L19 VanDerWaalsContact O-CB 3.24Å; F15-L19 WeakPolarHBondContact O-CB 3.48Å; F15-L19 VanDerWaalsContact O-CD1 3.31Å; F15-L19 WeakPolarHBondContact O-CD1 3.36Å; F15-L19 PolarHBondContact O-N 3.03Å
16K61.3Low56.1Low124 Ų124108.4 Ų108.454%0.53960%0.598SS.*Hα-helixtrans-67.6-33.4174.7-160.6172.2173-174.50112.3K12 E13 K14 L21K12-K16 WeakPolarHBondContact O-CB 3.32Å; K12-K16 PolarHBondContact O-N 3.46Å; E13-K16 PolarHBondContact O-N 2.89Å; K14-K16 VanDerWaalsContact C-N 3.35Å; K16-L21 HydrophobicContact CG-CB 4.02Å; K16-L21 PolarHBondContact O-N 3.11Å
17I65Low55.7Low123 Ų123110.4 Ų110.463%0.63160%0.6SS**Hα-helixtrans-72.6-44.5174-63163.6000110.6E13 K14 F15 G20E13-I17 WeakPolarHBondContact O-CD1 3.31Å; E13-I17 VanDerWaalsContact O-CG1 3.28Å; E13-I17 WeakPolarHBondContact O-CG1 3.39Å; E13-I17 PolarHBondContact O-N 3.41Å; E13-I17 VanDerWaalsContact O-N 3.13Å; K14-I17 PolarHBondContact O-N 3.33Å; F15-I17 VanDerWaalsContact C-N 3.31Å; F15-I17 PolarHBondContact O-N 2.82Å; I17-G20 PolarHBondContact O-N 2.85Å
18L64.6Low55.9Low128 Ų128104.8 Ų104.867%0.6759%0.585SS**Hα-helixtrans-69.9-32.5176.6-87.5153.1000113.6K14 F15 G20K14-L18 WeakPolarHBondContact O-CB 3.24Å; K14-L18 PolarHBondContact O-N 3.31Å; F15-L18 PolarHBondContact O-N 3.13Å; L18-G20 PolarHBondContact O-N 3.23Å
19L61.9Low55.8Low55 Ų55110.5 Ų110.529%0.28860%0.598SS.*THydrogen-bonded Turntrans-79.50.7175.5-97.688.4000114.3F15 F38 V67 K71F15-L19 HydrophobicContact CD1-CD1 3.9Å; F15-L19 VanDerWaalsContact O-CB 3.24Å; F15-L19 WeakPolarHBondContact O-CB 3.48Å; F15-L19 VanDerWaalsContact O-CD1 3.31Å; F15-L19 WeakPolarHBondContact O-CD1 3.36Å; F15-L19 PolarHBondContact O-N 3.03Å; L19-F38 HydrophobicContact CG-CE2 4.43Å; L19-V67 HydrophobicContact CD2-CG2 3.55Å; L19-K71 PolarHBondContact O-NZ 3.49Å
20G58.9Low55.2Low58 Ų58113 Ų11360%0.59862%0.615SS**THydrogen-bonded Turntrans73.128.8175.200000114.5I17 L18I17-G20 PolarHBondContact O-N 2.85Å; L18-G20 PolarHBondContact O-N 3.23Å
21L60.3Low54.4Low127 Ų127114.6 Ų114.667%0.66562%0.623SS**  trans-103.422173.2-11081.5000112.7K16K16-L21 HydrophobicContact CG-CB 4.02Å; K16-L21 PolarHBondContact O-N 3.11Å
22G47.9Very low53.4Low44 Ų44119.5 Ų119.545%0.45464%0.644SS.*SBendtrans-111.5123.6167.500000109.2
23T46.3Very low52.4Low139 Ų139118.2 Ų118.285%0.85366%0.66SS**  trans-37.8117.5-176.945.70000114.2R25T23-R25 PolarHBondContact O-N 3.05Å
24P45.9Very low51.6Low123 Ų123121.5 Ų121.580%0.79967%0.672SS**PPolyproline II helixtrans-77120.8165.630.2-28.1000108.6
25R47.8Very low50.9Low234 Ų234124.5 Ų124.588%0.88369%0.688SS**PPolyproline II helixtrans-51.2138.2160.6-175.5-177.6-176.7152.20.8108.6T23 N27T23-R25 PolarHBondContact O-N 3.05Å; R25-N27 PolarHBondContact O-N 2.92Å
26P48.5Very low50.5Low122 Ų122128.3 Ų128.379%0.79271%0.714SS**PPolyproline II helixtrans-73.4124.1-172.629-32.1000110.1
27N36.9Very low50.8Low151 Ų151126.7 Ų126.781%0.80771%0.708SS**  trans-128.1119.3153.6-169.413.9000108R25R25-N27 PolarHBondContact O-N 2.92Å
28P57.3Low51.4Low94 Ų94121.9 Ų121.961%0.6168%0.682SS**  trans-79.9159.1-177.633-35.4000111.2
29R51.2Low52.3Low233 Ų233120.5 Ų120.588%0.87968%0.675SS**  trans97.185.5167.8-52.2174.7-172.3-169.92.3115.4
30S38.1Very low53.4Low118 Ų118118.6 Ų118.683%0.82567%0.665SS**  177.5129.3111.6-82.10000112.5
31A37.3Very low54.8Low88 Ų88118.9 Ų118.973%0.72766%0.655SS**  trans61.898148.200000119
32E42.3Very low56Low198 Ų198116.1 Ų116.193%0.92565%0.65SS**SBend28.5109.7119.6-160.916498.500117.1
33G40.2Very low57.9Low79 Ų79117.4 Ų117.481%0.81465%0.645SS**  trans100.25142.300000120.5Q35G33-Q35 PolarHBondContact O-N 2.83Å
34K44.2Very low60Low197 Ų197111.3 Ų111.386%0.85761%0.607SS**  trans-95.798.7177.7-75.5169.6-179.8-179.30111.6T36K34-T36 PolarHBondContact O-N 3.31Å
35Q47.9Very low62.1Low151 Ų151108.1 Ų108.171%0.70658%0.583SS**  trans-51130.5161.1-73.1178.7-3.600108.1G33 E37G33-Q35 PolarHBondContact O-N 2.83Å; Q35-E37 VanDerWaalsContact C-N 3.33Å; Q35-E37 PolarHBondContact O-N 3.48Å
36T56Low64.2Low108 Ų108104.1 Ų104.166%0.66357%0.568SS**  trans-68.791.4-177.4-42.10000108.9K34K34-T36 PolarHBondContact O-N 3.31Å
37E69.2Low66.3Low90 Ų90101.2 Ų101.242%0.42154%0.543SS..PPolyproline II helixtrans-66.4137.8177.6-68.9178.9123.400109.9Q35 K72Q35-E37 VanDerWaalsContact C-N 3.33Å; Q35-E37 PolarHBondContact O-N 3.48Å; E37-K72 CarbonylContact C-O 3.5Å; E37-K72 VanDerWaalsContact CA-O 3.29Å; E37-K72 WeakPolarHBondContact CA-O 3.4Å; E37-K72 IonicContact OE1-NZ 3.38Å; E37-K72 PolarHBondContact OE1-NZ 2.96Å
38F77.3Confident69Low22 Ų2294 Ų9410%0.09651%0.505CS..BIsolated β-bridgetrans-85.8119.1176.5-177.6-107.7000109.8L19 I40 I44 V67 K71 K72 F73 E74L19-F38 HydrophobicContact CG-CE2 4.43Å; F38-I40 HydrophobicContact CD1-CD1 3.79Å; F38-I40 HydrophobicContact CE1-CD1 3.4Å; F38-I40 VanDerWaalsContact CE1-CD1 3.4Å; F38-I40 HydrophobicContact CZ-CD1 4.45Å; F38-I44 HydrophobicContact CE1-CD1 4.28Å; F38-I44 HydrophobicContact CZ-CD1 3.78Å; F38-V67 HydrophobicContact CB-CG1 4.01Å; F38-V67 HydrophobicContact CD1-CG1 3.89Å; F38-V67 HydrophobicContact CD2-CG1 3.49Å; F38-V67 VanDerWaalsContact CD2-CG1 3.49Å; F38-V67 HydrophobicContact CE1-CG1 4.13Å; F38-V67 HydrophobicContact CE2-CG1 3.8Å; F38-V67 HydrophobicContact CE2-CG2 4.35Å; F38-V67 HydrophobicContact CG-CG1 3.52Å; F38-V67 HydrophobicContact CZ-CG1 4.09Å; F38-V67 HydrophobicContact CZ-CG2 4.39Å; F38-K71 HydrophobicContact CB-CB 4.08Å; F38-K71 HydrophobicContact CB-CD 4.44Å; F38-K72 PolarHBondContact N-O 2.95Å; F38-F73 HydrophobicContact CB-CD1 4.38Å; F38-F73 AromaticContact CD1-CD1 3.6Å; F38-F73 HydrophobicContact CD1-CD1 3.6Å; F38-F73 AromaticContact CD1-CE1 3.39Å; F38-F73 HydrophobicContact CD1-CE1 3.39Å; F38-F73 HydrophobicContact CE1-CD1 4.42Å; F38-F73 AromaticContact CE1-CE1 3.86Å; F38-F73 HydrophobicContact CE1-CE1 3.86Å; F38-F73 HydrophobicContact CG-CD1 4.48Å; F38-F73 HydrophobicContact CG-CE1 4.46Å; F38-E74 PolarHBondContact O-N 2.79Å
39I83.5Confident70.6Confident100 Ų10090.8 Ų90.851%0.51348%0.484SS..PPolyproline II helixtrans-90.1131.7-178.6-60.9173.5000109.4T41 E74I39-T41 HydrophobicContact CG2-CG2 4.48Å; I39-T41 PolarHBondContact O-N 3.42Å; I39-E74 WeakPolarHBondContact CG2-OE1 3.32Å
40I85Confident72.4Confident14 Ų1486.2 Ų86.27%0.07248%0.475CS..  trans-88.395.2175.4-61.9-62.7000108.8F38 I44 L45 F73 E74 A77 L81F38-I40 HydrophobicContact CD1-CD1 3.79Å; F38-I40 HydrophobicContact CE1-CD1 3.4Å; F38-I40 VanDerWaalsContact CE1-CD1 3.4Å; F38-I40 HydrophobicContact CZ-CD1 4.45Å; I40-I44 HydrophobicContact CG2-CG2 4.34Å; I40-L45 HydrophobicContact CG2-CD1 4.36Å; I40-L45 HydrophobicContact CG2-CD2 3.64Å; I40-L45 HydrophobicContact CG2-CG 3.78Å; I40-F73 HydrophobicContact CD1-CD1 4.15Å; I40-F73 HydrophobicContact CD1-CE1 3.96Å; I40-F73 HydrophobicContact CG1-CD1 4.35Å; I40-E74 PolarHBondContact N-OE1 3.13Å; I40-A77 HydrophobicContact CB-CB 4.1Å; I40-A77 HydrophobicContact CG1-CB 3.37Å; I40-L81 HydrophobicContact CD1-CD1 3.77Å; I40-L81 HydrophobicContact CD1-CD2 3.99Å; I40-L81 HydrophobicContact CD1-CG 3.95Å; I40-L81 HydrophobicContact CG1-CD1 4.09Å; I40-L81 HydrophobicContact CG1-CD2 4.49Å; I40-L81 HydrophobicContact CG1-CG 4.05Å; I40-L81 HydrophobicContact CG2-CD2 4.3Å; I40-L81 HydrophobicContact CG2-CG 4.39Å
41T87.8Confident74.9Confident64 Ų6488.9 Ų88.939%0.39347%0.474SS..  trans-69.3156.4-179.867.70000111.8I39 E43 I44 L45I39-T41 HydrophobicContact CG2-CG2 4.48Å; I39-T41 PolarHBondContact O-N 3.42Å; T41-E43 PolarHBondContact O-N 3.16Å; T41-E43 VanDerWaalsContact O-N 3.16Å; T41-I44 WeakPolarHBondContact O-CB 3.49Å; T41-I44 PolarHBondContact O-N 3.03Å; T41-I44 PolarHBondContact OG1-N 2.78Å; T41-L45 PolarHBondContact O-N 3.46Å
42A85.8Confident77.5Confident69 Ų6986.6 Ų86.657%0.5745%0.452SS*.Hα-helixtrans-59.5-24.417400000113.1R46A42-R46 WeakPolarHBondContact O-CB 2.83Å; A42-R46 PolarHBondContact O-N 3.06Å
43E87.8Confident79.9Confident71 Ų7179.3 Ų79.333%0.33243%0.43SS..Hα-helixtrans-66.7-46173.1-178.2175.688.500111.4T41 L45 R46 E47T41-E43 PolarHBondContact O-N 3.16Å; T41-E43 VanDerWaalsContact O-N 3.16Å; E43-L45 VanDerWaalsContact C-N 3.32Å; E43-L45 PolarHBondContact O-N 3.17Å; E43-R46 WeakPolarHBondContact O-CB 3.29Å; E43-R46 PolarHBondContact O-N 3.28Å; E43-R46 VanDerWaalsContact O-N 3.13Å; E43-E47 PolarHBondContact O-N 2.95Å
44I90.5Very high82.5Confident11 Ų1177.8 Ų77.86%0.05640%0.404CS..Hα-helixtrans-60-45.2176.1-65.9169.6000110.1F38 I40 T41 R46 E47 L48 M60 I64F38-I44 HydrophobicContact CE1-CD1 4.28Å; F38-I44 HydrophobicContact CZ-CD1 3.78Å; I40-I44 HydrophobicContact CG2-CG2 4.34Å; T41-I44 WeakPolarHBondContact O-CB 3.49Å; T41-I44 PolarHBondContact O-N 3.03Å; T41-I44 PolarHBondContact OG1-N 2.78Å; I44-R46 VanDerWaalsContact C-N 3.3Å; I44-R46 PolarHBondContact O-N 2.82Å; I44-E47 PolarHBondContact O-N 3.45Å; I44-L48 HydrophobicContact CG2-CD1 4.12Å; I44-L48 WeakPolarHBondContact O-CG 3.48Å; I44-L48 PolarHBondContact O-N 3.18Å; I44-M60 HydrophobicContact CG2-SD 4.49Å; I44-I64 HydrophobicContact CG2-CD1 3.73Å; I44-I64 HydrophobicContact CG2-CG1 4.44Å
45L90.3Very high84.9Confident56 Ų5674.4 Ų74.429%0.29340%0.395SS..Hα-helixtrans-63.2-36.5177.1-64.9177.8000112.3I40 T41 E43 L48 S49 A80 A84I40-L45 HydrophobicContact CG2-CD1 4.36Å; I40-L45 HydrophobicContact CG2-CD2 3.64Å; I40-L45 HydrophobicContact CG2-CG 3.78Å; T41-L45 PolarHBondContact O-N 3.46Å; E43-L45 VanDerWaalsContact C-N 3.32Å; E43-L45 PolarHBondContact O-N 3.17Å; L45-L48 CarbonylContact O-C 3.51Å; L45-L48 PolarHBondContact O-N 3.21Å; L45-S49 PolarHBondContact O-N 2.97Å; L45-A80 HydrophobicContact CD1-CB 4.4Å; L45-A80 HydrophobicContact CD2-CB 4.25Å; L45-A84 HydrophobicContact CD2-CB 4.06Å
46R91.1Very high87.1Confident151 Ų15171.8 Ų71.857%0.5739%0.386SS*.Hα-helixtrans-65.5-40.9175.6-165.9-173.6-54.2119.12.3111.8A42 E43 I44 L48 S49 C52A42-R46 WeakPolarHBondContact O-CB 2.83Å; A42-R46 PolarHBondContact O-N 3.06Å; E43-R46 WeakPolarHBondContact O-CB 3.29Å; E43-R46 PolarHBondContact O-N 3.28Å; E43-R46 VanDerWaalsContact O-N 3.13Å; I44-R46 VanDerWaalsContact C-N 3.3Å; I44-R46 PolarHBondContact O-N 2.82Å; R46-L48 VanDerWaalsContact C-N 3.27Å; R46-L48 PolarHBondContact O-N 3.28Å; R46-S49 WeakPolarHBondContact O-CB 3.46Å; R46-S49 PolarHBondContact O-N 3.07Å; R46-S49 VanDerWaalsContact O-N 3.15Å; R46-C52 PolarHBondContact O-SG 2.95Å; R46-C52 VanDerWaalsContact O-SG 3.37Å
47E91.8Very high89Confident60 Ų6066.9 Ų66.928%0.2836%0.355SS..Hα-helixtrans-69.7-25.4175.8-69.6-166.5-144.900113E43 I44 C52 M60E43-E47 PolarHBondContact O-N 2.95Å; I44-E47 PolarHBondContact O-N 3.45Å; E47-C52 WeakPolarHBondContact O-CB 3.13Å; E47-M60 HydrophobicContact CB-CE 3.9Å; E47-M60 HydrophobicContact CB-CG 4.45Å; E47-M60 VanDerWaalsContact CD-CE 3.46Å; E47-M60 HydrophobicContact CG-CE 4.26Å; E47-M60 WeakPolarHBondContact OE2-CE 3.48Å
48L93.7Very high90.2Very high0 Ų064.4 Ų64.40%034%0.344CS..THydrogen-bonded Turntrans-85.6-6.6171.4-68.1175.5000113.9I44 L45 R46 R57 M60 I61 I64 L81 A84 V85I44-L48 HydrophobicContact CG2-CD1 4.12Å; I44-L48 WeakPolarHBondContact O-CG 3.48Å; I44-L48 PolarHBondContact O-N 3.18Å; L45-L48 CarbonylContact O-C 3.51Å; L45-L48 PolarHBondContact O-N 3.21Å; R46-L48 VanDerWaalsContact C-N 3.27Å; R46-L48 PolarHBondContact O-N 3.28Å; L48-R57 VanDerWaalsContact O-CZ 3.31Å; L48-R57 PolarHBondContact O-NE 3.04Å; L48-R57 PolarHBondContact O-NH2 3.24Å; L48-R57 VanDerWaalsContact O-NH2 3.13Å; L48-M60 HydrophobicContact CD2-CB 3.85Å; L48-M60 HydrophobicContact CD2-CG 3.65Å; L48-M60 HydrophobicContact CG-CG 3.9Å; L48-I61 HydrophobicContact CD2-CD1 4.48Å; L48-I61 HydrophobicContact CD2-CG1 3.74Å; L48-I64 HydrophobicContact CD1-CD1 3.79Å; L48-I64 HydrophobicContact CD2-CD1 4.49Å; L48-I64 HydrophobicContact CG-CD1 4.47Å; L48-L81 HydrophobicContact CD1-CD2 3.51Å; L48-A84 HydrophobicContact CB-CB 4.02Å; L48-A84 HydrophobicContact CD1-CB 4.42Å; L48-V85 HydrophobicContact CB-CG1 4.39Å; L48-V85 HydrophobicContact CD1-CG1 4.07Å; L48-V85 HydrophobicContact CD2-CG1 3.99Å; L48-V85 HydrophobicContact CG-CG1 4.4Å
49S91.9Very high91Very high26 Ų2671.7 Ų71.718%0.18237%0.371CS..SBendtrans-57.1149.6179.5-1790000111.4L45 R46 E51 C52 R57L45-S49 PolarHBondContact O-N 2.97Å; R46-S49 WeakPolarHBondContact O-CB 3.46Å; R46-S49 PolarHBondContact O-N 3.07Å; R46-S49 VanDerWaalsContact O-N 3.15Å; S49-E51 PolarHBondContact O-N 3.43Å; S49-E51 PolarHBondContact OG-N 3.43Å; S49-E51 PolarHBondContact OG-OE2 3.4Å; S49-C52 WeakPolarHBondContact O-CB 3.37Å; S49-C52 PolarHBondContact O-N 2.92Å; S49-R57 VanDerWaalsContact O-CD 3.23Å; S49-R57 WeakPolarHBondContact O-CD 3.46Å; S49-R57 PolarHBondContact O-NE 3.26Å
50M89.8Confident91.5Very high138 Ų13867.2 Ų67.268%0.6835%0.348SS*.THydrogen-bonded Turntrans-63.2-17.3172.558.7169.943.700113.7C52M50-C52 PolarHBondContact O-N 2.74Å
51E90.3Very high91.9Very high174 Ų17466.6 Ų66.681%0.81335%0.345SS*.THydrogen-bonded Turntrans-70.8-21.6172.7-61.4167.6111.600111.9S49S49-E51 PolarHBondContact O-N 3.43Å; S49-E51 PolarHBondContact OG-N 3.43Å; S49-E51 PolarHBondContact OG-OE2 3.4Å
52C90.9Very high92.1Very high39 Ų3965.2 Ų65.226%0.26434%0.343SS..SBendtrans-81.5144.1172.2-74.80000111.1R46 E47 S49 M50 R57R46-C52 PolarHBondContact O-SG 2.95Å; R46-C52 VanDerWaalsContact O-SG 3.37Å; E47-C52 WeakPolarHBondContact O-CB 3.13Å; S49-C52 WeakPolarHBondContact O-CB 3.37Å; S49-C52 PolarHBondContact O-N 2.92Å; M50-C52 PolarHBondContact O-N 2.74Å; C52-R57 HydrophobicContact CB-CG 4.06Å; C52-R57 WeakPolarHBondContact O-CD 3.45Å
53G93.6Very high92.3Very high45 Ų4566.3 Ų66.346%0.46434%0.336SS..  trans-57.4141.7175.300000112.2N55 N56 R57G53-N55 VanDerWaalsContact C-N 3.26Å; G53-N55 PolarHBondContact O-N 3.37Å; G53-N55 VanDerWaalsContact O-N 3.14Å; G53-N56 WeakPolarHBondContact O-CB 3.43Å; G53-N56 PolarHBondContact O-N 2.98Å; G53-R57 PolarHBondContact O-N 3.01Å
54L93.8Very high92.4Very high48 Ų4863.1 Ų63.125%0.25132%0.321SS..Hα-helixtrans-51.7-41.1-175.2-178.7148.7000113.5N56 R57 I58 L88 P94 A97L54-N56 VanDerWaalsContact C-N 3.3Å; L54-N56 PolarHBondContact O-N 3.15Å; L54-R57 PolarHBondContact O-N 3.26Å; L54-I58 HydrophobicContact CD2-CD1 3.42Å; L54-I58 VanDerWaalsContact CD2-CD1 3.42Å; L54-I58 HydrophobicContact CD2-CG1 4.15Å; L54-I58 HydrophobicContact CG-CD1 4.37Å; L54-I58 WeakPolarHBondContact O-CG1 3.38Å; L54-I58 PolarHBondContact O-N 3.49Å; L54-L88 HydrophobicContact CD1-CD2 4.49Å; L54-P94 HydrophobicContact CD1-CG 3.56Å; L54-P94 HydrophobicContact CD2-CG 3.77Å; L54-P94 HydrophobicContact CG-CG 4.33Å; L54-A97 HydrophobicContact CD1-CB 4.32Å; L54-A97 HydrophobicContact CD2-CB 4.4Å; L54-A97 HydrophobicContact CG-CB 4.45Å
55N94.6Very high92.2Very high125 Ų12563.4 Ų63.467%0.66833%0.325SS*.Hα-helixtrans-63-34.7178.1-70.4-34.2000113.2G53 R59G53-N55 VanDerWaalsContact C-N 3.26Å; G53-N55 PolarHBondContact O-N 3.37Å; G53-N55 VanDerWaalsContact O-N 3.14Å; N55-R59 WeakPolarHBondContact O-CB 3.24Å; N55-R59 PolarHBondContact O-N 3.25Å; N55-R59 VanDerWaalsContact O-N 3.11Å
56N94.5Very high92Very high97 Ų9766 Ų6652%0.51934%0.335SS..Hα-helixtrans-69.2-43.3176.9-65.8-8.7000110.1G53 L54 I58 R59 M60G53-N56 WeakPolarHBondContact O-CB 3.43Å; G53-N56 PolarHBondContact O-N 2.98Å; L54-N56 VanDerWaalsContact C-N 3.3Å; L54-N56 PolarHBondContact O-N 3.15Å; N56-I58 PolarHBondContact O-N 3.01Å; N56-R59 PolarHBondContact O-N 3.45Å; N56-M60 WeakPolarHBondContact O-CB 3.48Å; N56-M60 PolarHBondContact O-N 3.29Å
57R95.1Very high91.6Very high5 Ų559.4 Ų59.42%0.01931%0.312CS..Hα-helixtrans-60.8-45.8177.2-57.9175.772.2-161-2.6111.5L48 S49 C52 G53 L54 R59 M60 I61 A84 D87 L88L48-R57 VanDerWaalsContact O-CZ 3.31Å; L48-R57 PolarHBondContact O-NE 3.04Å; L48-R57 PolarHBondContact O-NH2 3.24Å; L48-R57 VanDerWaalsContact O-NH2 3.13Å; S49-R57 VanDerWaalsContact O-CD 3.23Å; S49-R57 WeakPolarHBondContact O-CD 3.46Å; S49-R57 PolarHBondContact O-NE 3.26Å; C52-R57 HydrophobicContact CB-CG 4.06Å; C52-R57 WeakPolarHBondContact O-CD 3.45Å; G53-R57 PolarHBondContact O-N 3.01Å; L54-R57 PolarHBondContact O-N 3.26Å; R57-R59 PolarHBondContact O-N 3.41Å; R57-M60 PolarHBondContact O-N 3Å; R57-I61 WeakPolarHBondContact O-CD1 3.47Å; R57-I61 VanDerWaalsContact O-CG1 3.24Å; R57-I61 WeakPolarHBondContact O-CG1 3.38Å; R57-I61 PolarHBondContact O-N 3.36Å; R57-A84 PolarHBondContact NH2-O 2.97Å; R57-D87 IonicContact CZ-OD1 3.87Å; R57-D87 IonicContact CZ-OD2 2.74Å; R57-D87 IonicContact NH1-OD1 3.67Å; R57-D87 PolarHBondContact NH1-OD1 2.98Å; R57-D87 IonicContact NH1-OD2 3.47Å; R57-D87 PolarHBondContact NH1-OD2 3.23Å; R57-D87 IonicContact NH2-OD1 3.7Å; R57-D87 PolarHBondContact NH2-OD1 3.49Å; R57-D87 IonicContact NH2-OD2 2.64Å; R57-L88 HydrophobicContact CB-CD1 4.22Å; R57-L88 VanDerWaalsContact NH1-CD2 3.34Å
58I94.6Very high91.1Very high37 Ų3757.9 Ų57.919%0.1931%0.309CS..Hα-helixtrans-57.7-47.5175-69.9178.5000111.6L54 N56 M60 I61 G62 E96 A97 A100L54-I58 HydrophobicContact CD2-CD1 3.42Å; L54-I58 VanDerWaalsContact CD2-CD1 3.42Å; L54-I58 HydrophobicContact CD2-CG1 4.15Å; L54-I58 HydrophobicContact CG-CD1 4.37Å; L54-I58 WeakPolarHBondContact O-CG1 3.38Å; L54-I58 PolarHBondContact O-N 3.49Å; N56-I58 PolarHBondContact O-N 3.01Å; I58-M60 PolarHBondContact O-N 2.94Å; I58-I61 PolarHBondContact O-N 3.38Å; I58-G62 PolarHBondContact O-N 3.33Å; I58-E96 HydrophobicContact CD1-CB 4.01Å; I58-A97 HydrophobicContact CD1-CB 3.89Å; I58-A97 HydrophobicContact CG1-CB 4.14Å; I58-A100 HydrophobicContact CG2-CB 4.1Å
59R94.8Very high90.5Very high175 Ų17563.4 Ų63.466%0.6633%0.333SS*.Hα-helixtrans-60.6-46.7179.7-176.3-171.1-61.2-107.6-0.6111.1N55 N56 R57 I61 G62 Q63N55-R59 WeakPolarHBondContact O-CB 3.24Å; N55-R59 PolarHBondContact O-N 3.25Å; N55-R59 VanDerWaalsContact O-N 3.11Å; N56-R59 PolarHBondContact O-N 3.45Å; R57-R59 PolarHBondContact O-N 3.41Å; R59-I61 PolarHBondContact O-N 3.14Å; R59-G62 PolarHBondContact O-N 3.45Å; R59-G62 VanDerWaalsContact O-N 3.16Å; R59-Q63 WeakPolarHBondContact O-CG 3.34Å; R59-Q63 PolarHBondContact O-N 3.11Å
60M93.9Very high89.7Confident7 Ų767.6 Ų67.63%0.03436%0.358CS..Hα-helixtrans-62.2-43179.6-178.653.974.300111.6I44 E47 L48 N56 R57 I58 G62 Q63 I64I44-M60 HydrophobicContact CG2-SD 4.49Å; E47-M60 HydrophobicContact CB-CE 3.9Å; E47-M60 HydrophobicContact CB-CG 4.45Å; E47-M60 VanDerWaalsContact CD-CE 3.46Å; E47-M60 HydrophobicContact CG-CE 4.26Å; E47-M60 WeakPolarHBondContact OE2-CE 3.48Å; L48-M60 HydrophobicContact CD2-CB 3.85Å; L48-M60 HydrophobicContact CD2-CG 3.65Å; L48-M60 HydrophobicContact CG-CG 3.9Å; N56-M60 WeakPolarHBondContact O-CB 3.48Å; N56-M60 PolarHBondContact O-N 3.29Å; R57-M60 PolarHBondContact O-N 3Å; I58-M60 PolarHBondContact O-N 2.94Å; M60-G62 VanDerWaalsContact C-N 3.3Å; M60-G62 PolarHBondContact O-N 3.46Å; M60-Q63 WeakPolarHBondContact O-CB 3.48Å; M60-Q63 PolarHBondContact O-N 3.1Å; M60-Q63 VanDerWaalsContact O-N 3.1Å; M60-I64 HydrophobicContact CG-CD1 3.94Å; M60-I64 WeakPolarHBondContact O-CG1 3.36Å; M60-I64 PolarHBondContact O-N 2.92Å; M60-I64 HydrophobicContact SD-CD1 4.2Å; M60-I64 HydrophobicContact SD-CG1 4.3Å
61I93.2Very high89.2Confident1 Ų163.5 Ų63.51%0.00534%0.336CS..Hα-helixtrans-56.7-45.8173.5-68.3162.5000110.8L48 R57 I58 R59 Q63 I64 C65 V85 L88 A100 V101 L104L48-I61 HydrophobicContact CD2-CD1 4.48Å; L48-I61 HydrophobicContact CD2-CG1 3.74Å; R57-I61 WeakPolarHBondContact O-CD1 3.47Å; R57-I61 VanDerWaalsContact O-CG1 3.24Å; R57-I61 WeakPolarHBondContact O-CG1 3.38Å; R57-I61 PolarHBondContact O-N 3.36Å; I58-I61 PolarHBondContact O-N 3.38Å; R59-I61 PolarHBondContact O-N 3.14Å; I61-Q63 VanDerWaalsContact C-N 3.3Å; I61-Q63 PolarHBondContact O-N 3.05Å; I61-I64 PolarHBondContact O-N 3.05Å; I61-C65 PolarHBondContact O-N 3.49Å; I61-C65 PolarHBondContact O-SG 2.96Å; I61-V85 HydrophobicContact CD1-CB 4.24Å; I61-V85 HydrophobicContact CD1-CG1 3.96Å; I61-V85 HydrophobicContact CG1-CG1 4.07Å; I61-L88 HydrophobicContact CD1-CD1 3.55Å; I61-A100 HydrophobicContact CB-CB 4.31Å; I61-A100 HydrophobicContact CD1-CB 4.44Å; I61-A100 HydrophobicContact CG2-CB 3.95Å; I61-A100 WeakPolarHBondContact CG2-O 3.23Å; I61-V101 HydrophobicContact CD1-CG2 3.91Å; I61-L104 HydrophobicContact CG2-CB 4.14Å; I61-L104 HydrophobicContact CG2-CD1 4.14Å
62G91.4Very high88.7Confident34 Ų3461 Ų6135%0.35132%0.323SS..Hα-helixtrans-58-40.817600000113.1I58 R59 M60 C65 E66I58-G62 PolarHBondContact O-N 3.33Å; R59-G62 PolarHBondContact O-N 3.45Å; R59-G62 VanDerWaalsContact O-N 3.16Å; M60-G62 VanDerWaalsContact C-N 3.3Å; M60-G62 PolarHBondContact O-N 3.46Å; G62-C65 WeakPolarHBondContact O-CB 3.49Å; G62-C65 PolarHBondContact O-N 2.95Å; G62-E66 PolarHBondContact O-N 3.42Å
63Q90.1Very high88.2Confident93 Ų9360.9 Ų60.944%0.43532%0.318SS..Hα-helixtrans-65.2-42.5177-66.5174-79.800111.9R59 M60 I61 C65 E66 V67R59-Q63 WeakPolarHBondContact O-CG 3.34Å; R59-Q63 PolarHBondContact O-N 3.11Å; M60-Q63 WeakPolarHBondContact O-CB 3.48Å; M60-Q63 PolarHBondContact O-N 3.1Å; M60-Q63 VanDerWaalsContact O-N 3.1Å; I61-Q63 VanDerWaalsContact C-N 3.3Å; I61-Q63 PolarHBondContact O-N 3.05Å; Q63-C65 VanDerWaalsContact C-N 3.31Å; Q63-C65 PolarHBondContact O-N 3.37Å; Q63-E66 PolarHBondContact O-N 3.37Å; Q63-V67 PolarHBondContact O-N 3.16Å
64I89.8Confident87.7Confident3 Ų361.6 Ų61.62%0.01531%0.309CS..Hα-helixtrans-64.6-37.6178-64.7161.8000110.8I44 L48 M60 I61 E66 V67 A68 F73 L81 L104I44-I64 HydrophobicContact CG2-CD1 3.73Å; I44-I64 HydrophobicContact CG2-CG1 4.44Å; L48-I64 HydrophobicContact CD1-CD1 3.79Å; L48-I64 HydrophobicContact CD2-CD1 4.49Å; L48-I64 HydrophobicContact CG-CD1 4.47Å; M60-I64 HydrophobicContact CG-CD1 3.94Å; M60-I64 WeakPolarHBondContact O-CG1 3.36Å; M60-I64 PolarHBondContact O-N 2.92Å; M60-I64 HydrophobicContact SD-CD1 4.2Å; M60-I64 HydrophobicContact SD-CG1 4.3Å; I61-I64 PolarHBondContact O-N 3.05Å; I64-E66 VanDerWaalsContact C-N 3.33Å; I64-E66 PolarHBondContact O-N 3.49Å; I64-V67 PolarHBondContact O-N 3.38Å; I64-A68 WeakPolarHBondContact O-CB 3.46Å; I64-A68 PolarHBondContact O-N 2.99Å; I64-F73 HydrophobicContact CG2-CE1 3.92Å; I64-F73 HydrophobicContact CG2-CZ 3.69Å; I64-L81 HydrophobicContact CD1-CD2 3.77Å; I64-L81 HydrophobicContact CG2-CD1 3.92Å; I64-L81 HydrophobicContact CG2-CD2 4.45Å; I64-L104 HydrophobicContact CB-CD1 4.13Å; I64-L104 HydrophobicContact CG2-CD1 3.67Å
65C86.9Confident87Confident18 Ų1866.8 Ų66.812%0.12233%0.332CS..Hα-helixtrans-59-40.3173-700000112.7I61 G62 Q63 V67 A68 K69 L104I61-C65 PolarHBondContact O-N 3.49Å; I61-C65 PolarHBondContact O-SG 2.96Å; G62-C65 WeakPolarHBondContact O-CB 3.49Å; G62-C65 PolarHBondContact O-N 2.95Å; Q63-C65 VanDerWaalsContact C-N 3.31Å; Q63-C65 PolarHBondContact O-N 3.37Å; C65-V67 VanDerWaalsContact C-N 3.33Å; C65-A68 PolarHBondContact O-N 3.27Å; C65-K69 WeakPolarHBondContact O-CG 3.48Å; C65-K69 PolarHBondContact O-N 2.64Å; C65-L104 WeakPolarHBondContact SG-CA 3.47Å; C65-L104 PolarHBondContact SG-N 3.37Å; C65-L104 VanDerWaalsContact SG-N 3.44Å
66E86Confident86.3Confident109 Ų10966.4 Ų66.451%0.50933%0.326SS..Hα-helixtrans-66-37176.5-65.4-51.9130.100112.1G62 Q63 I64 K69G62-E66 PolarHBondContact O-N 3.42Å; Q63-E66 PolarHBondContact O-N 3.37Å; I64-E66 VanDerWaalsContact C-N 3.33Å; I64-E66 PolarHBondContact O-N 3.49Å; E66-K69 PolarHBondContact O-N 3.24Å; E66-K69 WeakPolarHBondContact OE1-CE 3.43Å; E66-K69 IonicContact OE1-NZ 2.96Å; E66-K69 PolarHBondContact OE1-NZ 3.2Å; E66-K69 IonicContact OE2-NZ 3.96Å; E66-K69 PolarHBondContact OE2-NZ 2.91Å
67V82.1Confident85.8Confident14 Ų1461.9 Ų61.99%0.08530%0.302CS..Hα-helixtrans-66.9-43175.5179.40000111.2L19 F38 Q63 I64 C65 K69 T70 K71L19-V67 HydrophobicContact CD2-CG2 3.55Å; F38-V67 HydrophobicContact CB-CG1 4.01Å; F38-V67 HydrophobicContact CD1-CG1 3.89Å; F38-V67 HydrophobicContact CD2-CG1 3.49Å; F38-V67 VanDerWaalsContact CD2-CG1 3.49Å; F38-V67 HydrophobicContact CE1-CG1 4.13Å; F38-V67 HydrophobicContact CE2-CG1 3.8Å; F38-V67 HydrophobicContact CE2-CG2 4.35Å; F38-V67 HydrophobicContact CG-CG1 3.52Å; F38-V67 HydrophobicContact CZ-CG1 4.09Å; F38-V67 HydrophobicContact CZ-CG2 4.39Å; Q63-V67 PolarHBondContact O-N 3.16Å; I64-V67 PolarHBondContact O-N 3.38Å; C65-V67 VanDerWaalsContact C-N 3.33Å; V67-K69 PolarHBondContact O-N 3.44Å; V67-T70 PolarHBondContact O-N 3.19Å; V67-T70 PolarHBondContact O-OG1 3.28Å; V67-K71 HydrophobicContact CG1-CB 4.14Å; V67-K71 HydrophobicContact CG1-CD 4.27Å; V67-K71 HydrophobicContact CG1-CG 4.44Å; V67-K71 PolarHBondContact O-N 3.21Å
68A82.9Confident85.2Confident28 Ų2864.4 Ų64.423%0.23132%0.318CS..Hα-helixtrans-58.1-22.6179.300000113.8I64 C65 T70 F73I64-A68 WeakPolarHBondContact O-CB 3.46Å; I64-A68 PolarHBondContact O-N 2.99Å; C65-A68 PolarHBondContact O-N 3.27Å; A68-T70 VanDerWaalsContact C-N 3.32Å; A68-F73 HydrophobicContact CB-CE2 3.47Å; A68-F73 VanDerWaalsContact CB-CE2 3.47Å; A68-F73 HydrophobicContact CB-CZ 3.66Å
69K80.9Confident84.6Confident115 Ų11566.6 Ų66.650%0.533%0.327SS..THydrogen-bonded Turntrans-71.3-26.7176.1-66.9172.9-169.5173.70113.3C65 E66 V67 P108C65-K69 WeakPolarHBondContact O-CG 3.48Å; C65-K69 PolarHBondContact O-N 2.64Å; E66-K69 PolarHBondContact O-N 3.24Å; E66-K69 WeakPolarHBondContact OE1-CE 3.43Å; E66-K69 IonicContact OE1-NZ 2.96Å; E66-K69 PolarHBondContact OE1-NZ 3.2Å; E66-K69 IonicContact OE2-NZ 3.96Å; E66-K69 PolarHBondContact OE2-NZ 2.91Å; V67-K69 PolarHBondContact O-N 3.44Å; K69-P108 HydrophobicContact CB-CB 4.46Å; K69-P108 HydrophobicContact CG-CB 4Å
70T75.3Confident84.3Confident115 Ų11559.7 Ų59.771%0.70631%0.308SS*.THydrogen-bonded Turntrans-121.9-20.2-168.559.40000113.5V67 A68V67-T70 PolarHBondContact O-N 3.19Å; V67-T70 PolarHBondContact O-OG1 3.28Å; A68-T70 VanDerWaalsContact C-N 3.32Å
71K78.9Confident84.1Confident51 Ų5159.4 Ų59.422%0.22231%0.306CS..SBendtrans-127.7140.4-179.8-61.3-170-178.5-179.30110.5L19 F38 V67L19-K71 PolarHBondContact O-NZ 3.49Å; F38-K71 HydrophobicContact CB-CB 4.08Å; F38-K71 HydrophobicContact CB-CD 4.44Å; V67-K71 HydrophobicContact CG1-CB 4.14Å; V67-K71 HydrophobicContact CG1-CD 4.27Å; V67-K71 HydrophobicContact CG1-CG 4.44Å; V67-K71 PolarHBondContact O-N 3.21Å
72K78.8Confident83.8Confident121 Ų12161.2 Ų61.253%0.52631%0.313SS..PPolyproline II helixtrans-74.7140.1169.4-170.1-165.4162.8-142.80108.6E37 F38E37-K72 CarbonylContact C-O 3.5Å; E37-K72 VanDerWaalsContact CA-O 3.29Å; E37-K72 WeakPolarHBondContact CA-O 3.4Å; E37-K72 IonicContact OE1-NZ 3.38Å; E37-K72 PolarHBondContact OE1-NZ 2.96Å; F38-K72 PolarHBondContact N-O 2.95Å
73F81.6Confident83.6Confident37 Ų3767.7 Ų67.716%0.16233%0.332CS..BIsolated β-bridgetrans-72.6150.2171-69.9-73.9000111.2F38 I40 I64 A68 A77 V78 L81F38-F73 HydrophobicContact CB-CD1 4.38Å; F38-F73 AromaticContact CD1-CD1 3.6Å; F38-F73 HydrophobicContact CD1-CD1 3.6Å; F38-F73 AromaticContact CD1-CE1 3.39Å; F38-F73 HydrophobicContact CD1-CE1 3.39Å; F38-F73 HydrophobicContact CE1-CD1 4.42Å; F38-F73 AromaticContact CE1-CE1 3.86Å; F38-F73 HydrophobicContact CE1-CE1 3.86Å; F38-F73 HydrophobicContact CG-CD1 4.48Å; F38-F73 HydrophobicContact CG-CE1 4.46Å; I40-F73 HydrophobicContact CD1-CD1 4.15Å; I40-F73 HydrophobicContact CD1-CE1 3.96Å; I40-F73 HydrophobicContact CG1-CD1 4.35Å; I64-F73 HydrophobicContact CG2-CE1 3.92Å; I64-F73 HydrophobicContact CG2-CZ 3.69Å; A68-F73 HydrophobicContact CB-CE2 3.47Å; A68-F73 VanDerWaalsContact CB-CE2 3.47Å; A68-F73 HydrophobicContact CB-CZ 3.66Å; F73-A77 HydrophobicContact CB-CB 3.93Å; F73-A77 HydrophobicContact CD1-CB 4.22Å; F73-A77 HydrophobicContact CG-CB 4.43Å; F73-V78 HydrophobicContact CB-CG2 4.19Å; F73-V78 HydrophobicContact CD2-CG2 4.05Å; F73-V78 HydrophobicContact CG-CG2 4.27Å; F73-L81 HydrophobicContact CD1-CD1 4.45Å; F73-L81 HydrophobicContact CE1-CD1 3.96Å; F73-L81 HydrophobicContact CZ-CD1 4.2Å
74E83.4Confident83.7Confident61 Ų6164.3 Ų64.329%0.28532%0.319SS..PPolyproline II helixtrans-61168167.565.7175.1164.600112.3F38 I39 I40 A77F38-E74 PolarHBondContact O-N 2.79Å; I39-E74 WeakPolarHBondContact CG2-OE1 3.32Å; I40-E74 PolarHBondContact N-OE1 3.13Å; E74-A77 HydrophobicContact CG-CB 3.4Å; E74-A77 PolarHBondContact O-N 3.38Å
75E77.7Confident83.8Confident157 Ų15764.2 Ų64.273%0.73432%0.319SS*.THydrogen-bonded Turntrans-58.3139171-162.2174.263.900110.3A77E75-A77 PolarHBondContact O-N 3.32Å
76H79.8Confident84Confident117 Ų11764.9 Ų64.954%0.54233%0.326SS..THydrogen-bonded Turntrans64.6-9.6-176.4-52.9-69.6000117.9V78 E79 A80H76-V78 VanDerWaalsContact C-N 3.29Å; H76-V78 PolarHBondContact O-N 3.13Å; H76-E79 IonicContact CE1-OE2 3.73Å; H76-E79 IonicContact CG-OE2 2.82Å; H76-E79 IonicContact ND1-OE2 2.87Å; H76-E79 PolarHBondContact ND1-OE2 3.12Å; H76-E79 WeakPolarHBondContact O-CB 3.41Å; H76-E79 PolarHBondContact O-N 2.68Å; H76-A80 PolarHBondContact O-N 2.82Å
77A84.2Confident84.2Confident1 Ų161.2 Ų61.21%0.00831%0.31CS..Hα-helixtrans-57.6-40.7179.300000113.2I40 F73 E74 E75 E79 A80 L81I40-A77 HydrophobicContact CB-CB 4.1Å; I40-A77 HydrophobicContact CG1-CB 3.37Å; F73-A77 HydrophobicContact CB-CB 3.93Å; F73-A77 HydrophobicContact CD1-CB 4.22Å; F73-A77 HydrophobicContact CG-CB 4.43Å; E74-A77 HydrophobicContact CG-CB 3.4Å; E74-A77 PolarHBondContact O-N 3.38Å; E75-A77 PolarHBondContact O-N 3.32Å; A77-E79 VanDerWaalsContact C-N 3.32Å; A77-E79 PolarHBondContact O-N 2.78Å; A77-A80 PolarHBondContact O-N 3.24Å; A77-L81 WeakPolarHBondContact O-CB 3.23Å; A77-L81 WeakPolarHBondContact O-CG 3.4Å; A77-L81 PolarHBondContact O-N 3.13Å
78V82.8Confident84.6Confident58 Ų5860.6 Ų60.635%0.35231%0.306SS..Hα-helixtrans-64.4-38.1177.2179.20000111.3F73 H76 W82 L119F73-V78 HydrophobicContact CB-CG2 4.19Å; F73-V78 HydrophobicContact CD2-CG2 4.05Å; F73-V78 HydrophobicContact CG-CG2 4.27Å; H76-V78 VanDerWaalsContact C-N 3.29Å; H76-V78 PolarHBondContact O-N 3.13Å; V78-W82 WeakPolarHBondContact O-CB 3.5Å; V78-W82 PolarHBondContact O-N 3.38Å; V78-L119 HydrophobicContact CG1-CD2 4.25Å
79E82.3Confident84.9Confident83 Ų8360.7 Ų60.739%0.38830%0.302SS..Hα-helixtrans-67.4-41.2177.4-59.6-176.315500111.5H76 A77 W82 K83 I122H76-E79 IonicContact CE1-OE2 3.73Å; H76-E79 IonicContact CG-OE2 2.82Å; H76-E79 IonicContact ND1-OE2 2.87Å; H76-E79 PolarHBondContact ND1-OE2 3.12Å; H76-E79 WeakPolarHBondContact O-CB 3.41Å; H76-E79 PolarHBondContact O-N 2.68Å; A77-E79 VanDerWaalsContact C-N 3.32Å; A77-E79 PolarHBondContact O-N 2.78Å; E79-W82 PolarHBondContact O-N 3.17Å; E79-K83 WeakPolarHBondContact O-CG 3.38Å; E79-K83 PolarHBondContact O-N 3.43Å; E79-K83 VanDerWaalsContact O-N 3.08Å; E79-I122 HydrophobicContact CG-CD1 4.36Å
80A88.3Confident85.2Confident30 Ų3060.1 Ų60.125%0.24830%0.301CS..Hα-helixtrans-64.4-45176.400000111.7L45 H76 A77 W82 K83 A84L45-A80 HydrophobicContact CD1-CB 4.4Å; L45-A80 HydrophobicContact CD2-CB 4.25Å; H76-A80 PolarHBondContact O-N 2.82Å; A77-A80 PolarHBondContact O-N 3.24Å; A80-W82 PolarHBondContact O-N 3.08Å; A80-K83 PolarHBondContact O-N 2.94Å; A80-A84 PolarHBondContact O-N 3.35Å; A80-A84 VanDerWaalsContact O-N 3.13Å
81L89.1Confident85.6Confident1 Ų158.5 Ų58.51%0.00529%0.293CS..Hα-helixtrans-59.2-47.3174.6-77171.7000111.6I40 L48 I64 F73 A77 K83 A84 V85 L104I40-L81 HydrophobicContact CD1-CD1 3.77Å; I40-L81 HydrophobicContact CD1-CD2 3.99Å; I40-L81 HydrophobicContact CD1-CG 3.95Å; I40-L81 HydrophobicContact CG1-CD1 4.09Å; I40-L81 HydrophobicContact CG1-CD2 4.49Å; I40-L81 HydrophobicContact CG1-CG 4.05Å; I40-L81 HydrophobicContact CG2-CD2 4.3Å; I40-L81 HydrophobicContact CG2-CG 4.39Å; L48-L81 HydrophobicContact CD1-CD2 3.51Å; I64-L81 HydrophobicContact CD1-CD2 3.77Å; I64-L81 HydrophobicContact CG2-CD1 3.92Å; I64-L81 HydrophobicContact CG2-CD2 4.45Å; F73-L81 HydrophobicContact CD1-CD1 4.45Å; F73-L81 HydrophobicContact CE1-CD1 3.96Å; F73-L81 HydrophobicContact CZ-CD1 4.2Å; A77-L81 WeakPolarHBondContact O-CB 3.23Å; A77-L81 WeakPolarHBondContact O-CG 3.4Å; A77-L81 PolarHBondContact O-N 3.13Å; L81-K83 PolarHBondContact O-N 3.5Å; L81-A84 WeakPolarHBondContact O-CB 3.36Å; L81-A84 PolarHBondContact O-N 3.44Å; L81-A84 VanDerWaalsContact O-N 3.08Å; L81-V85 WeakPolarHBondContact O-CG2 3.4Å; L81-V85 PolarHBondContact O-N 2.95Å; L81-V85 VanDerWaalsContact O-N 3.12Å; L81-L104 HydrophobicContact CD1-CD1 4.49Å
82W87.3Confident86.2Confident40 Ų4063.4 Ų63.415%0.15232%0.317CS..Hα-helixtrans-57-48.6178.6175.9-108.7000111.9V78 E79 A80 A84 V85 A86 L89 V101 L105 I122V78-W82 WeakPolarHBondContact O-CB 3.5Å; V78-W82 PolarHBondContact O-N 3.38Å; E79-W82 PolarHBondContact O-N 3.17Å; A80-W82 PolarHBondContact O-N 3.08Å; W82-A84 PolarHBondContact O-N 2.96Å; W82-V85 PolarHBondContact O-N 3.41Å; W82-V85 VanDerWaalsContact O-N 3.17Å; W82-A86 HydrophobicContact CD2-CB 4.35Å; W82-A86 HydrophobicContact CZ2-CB 4.23Å; W82-A86 VanDerWaalsContact O-CB 3.3Å; W82-A86 WeakPolarHBondContact O-CB 3.48Å; W82-A86 PolarHBondContact O-N 3.08Å; W82-L89 HydrophobicContact CH2-CD1 3.35Å; W82-L89 HydrophobicContact CZ3-CD1 3.5Å; W82-L89 VanDerWaalsContact CZ3-CD1 3.5Å; W82-V101 HydrophobicContact CZ3-CG1 4.29Å; W82-L105 HydrophobicContact CE3-CD2 4.39Å; W82-L105 HydrophobicContact CZ3-CD1 3.91Å; W82-I122 HydrophobicContact CB-CG2 4.43Å; W82-I122 HydrophobicContact CD2-CG2 3.98Å; W82-I122 HydrophobicContact CG-CG2 3.64Å; W82-I122 VanDerWaalsContact NE1-CG2 3.3Å
83K88.4Confident86.7Confident170 Ų17061.9 Ų61.974%0.73931%0.308SS*.Hα-helixtrans-57.3-36176.8-72.9172.8-177.4172.10112.2E79 A80 L81E79-K83 WeakPolarHBondContact O-CG 3.38Å; E79-K83 PolarHBondContact O-N 3.43Å; E79-K83 VanDerWaalsContact O-N 3.08Å; A80-K83 PolarHBondContact O-N 2.94Å; L81-K83 PolarHBondContact O-N 3.5Å
84A91.1Very high87.2Confident21 Ų2162.6 Ų62.617%0.17432%0.316CS..Hα-helixtrans-76.9-22.2-178.700000114.3L45 L48 R57 A80 L81 W82L45-A84 HydrophobicContact CD2-CB 4.06Å; L48-A84 HydrophobicContact CB-CB 4.02Å; L48-A84 HydrophobicContact CD1-CB 4.42Å; R57-A84 PolarHBondContact NH2-O 2.97Å; A80-A84 PolarHBondContact O-N 3.35Å; A80-A84 VanDerWaalsContact O-N 3.13Å; L81-A84 WeakPolarHBondContact O-CB 3.36Å; L81-A84 PolarHBondContact O-N 3.44Å; L81-A84 VanDerWaalsContact O-N 3.08Å; W82-A84 PolarHBondContact O-N 2.96Å
85V92.4Very high87.6Confident2 Ų263.9 Ų63.91%0.01232%0.324CS..Hα-helixtrans-123.1-4.4-171.8-51.40000114.8L48 I61 L81 W82 D87 L88 V101L48-V85 HydrophobicContact CB-CG1 4.39Å; L48-V85 HydrophobicContact CD1-CG1 4.07Å; L48-V85 HydrophobicContact CD2-CG1 3.99Å; L48-V85 HydrophobicContact CG-CG1 4.4Å; I61-V85 HydrophobicContact CD1-CB 4.24Å; I61-V85 HydrophobicContact CD1-CG1 3.96Å; I61-V85 HydrophobicContact CG1-CG1 4.07Å; L81-V85 WeakPolarHBondContact O-CG2 3.4Å; L81-V85 PolarHBondContact O-N 2.95Å; L81-V85 VanDerWaalsContact O-N 3.12Å; W82-V85 PolarHBondContact O-N 3.41Å; W82-V85 VanDerWaalsContact O-N 3.17Å; V85-D87 PolarHBondContact O-N 3.25Å; V85-D87 VanDerWaalsContact O-N 3.16Å; V85-L88 HydrophobicContact CB-CD1 4.39Å; V85-L88 WeakPolarHBondContact O-CB 3.19Å; V85-L88 PolarHBondContact O-N 3.49Å; V85-V101 HydrophobicContact CB-CG2 4.03Å; V85-V101 HydrophobicContact CG2-CG1 3.91Å; V85-V101 HydrophobicContact CG2-CG2 3.99Å
86A89.9Confident88.3Confident32 Ų3262.1 Ų62.126%0.26432%0.316SS..G310 helixtrans-58.1-30-177.700000113.6W82 L88 L89W82-A86 HydrophobicContact CD2-CB 4.35Å; W82-A86 HydrophobicContact CZ2-CB 4.23Å; W82-A86 VanDerWaalsContact O-CB 3.3Å; W82-A86 WeakPolarHBondContact O-CB 3.48Å; W82-A86 PolarHBondContact O-N 3.08Å; A86-L88 PolarHBondContact O-N 3Å; A86-L89 PolarHBondContact O-N 3.15Å
87D91.1Very high88.8Confident31 Ų3156.6 Ų56.617%0.16629%0.29CS..G310 helixtrans-68.8-17.2177.275.1-67.2000113.7R57 V85 L89 Q90 R93R57-D87 IonicContact CZ-OD1 3.87Å; R57-D87 IonicContact CZ-OD2 2.74Å; R57-D87 IonicContact NH1-OD1 3.67Å; R57-D87 PolarHBondContact NH1-OD1 2.98Å; R57-D87 IonicContact NH1-OD2 3.47Å; R57-D87 PolarHBondContact NH1-OD2 3.23Å; R57-D87 IonicContact NH2-OD1 3.7Å; R57-D87 PolarHBondContact NH2-OD1 3.49Å; R57-D87 IonicContact NH2-OD2 2.64Å; V85-D87 PolarHBondContact O-N 3.25Å; V85-D87 VanDerWaalsContact O-N 3.16Å; D87-L89 PolarHBondContact O-N 3.37Å; D87-Q90 VanDerWaalsContact O-CG 3.29Å; D87-Q90 WeakPolarHBondContact O-CG 3.39Å; D87-R93 WeakPolarHBondContact O-CG 3.39Å; D87-R93 PolarHBondContact O-NE 3.25Å; D87-R93 IonicContact OD2-CZ 2.68Å; D87-R93 IonicContact OD2-NE 3.9Å; D87-R93 IonicContact OD2-NH2 2.82Å; D87-R93 PolarHBondContact OD2-NH2 3.3Å
88L90.8Very high89.1Confident1 Ų160.1 Ų60.11%0.00530%0.304CS..G310 helixtrans-77.4-11176.3-63.6179.2000112.7L54 R57 I61 V85 A86 Q90 R93 A97 R98 V101L54-L88 HydrophobicContact CD1-CD2 4.49Å; R57-L88 HydrophobicContact CB-CD1 4.22Å; R57-L88 VanDerWaalsContact NH1-CD2 3.34Å; I61-L88 HydrophobicContact CD1-CD1 3.55Å; V85-L88 HydrophobicContact CB-CD1 4.39Å; V85-L88 WeakPolarHBondContact O-CB 3.19Å; V85-L88 PolarHBondContact O-N 3.49Å; A86-L88 PolarHBondContact O-N 3Å; L88-Q90 VanDerWaalsContact C-N 3.35Å; L88-R93 WeakPolarHBondContact O-CB 3.42Å; L88-A97 HydrophobicContact CB-CB 4.33Å; L88-A97 HydrophobicContact CD2-CB 4.32Å; L88-R98 VanDerWaalsContact O-CG 3.23Å; L88-R98 WeakPolarHBondContact O-CG 3.46Å; L88-V101 HydrophobicContact CB-CG2 3.76Å; L88-V101 HydrophobicContact CD1-CG2 4.12Å
89L89.4Confident89.5Confident30 Ų3062.4 Ų62.416%0.15731%0.31CS..G310 helixtrans-85.1-5.5176-70.7173.8000114W82 A86 D87 V101 L102 L126W82-L89 HydrophobicContact CH2-CD1 3.35Å; W82-L89 HydrophobicContact CZ3-CD1 3.5Å; W82-L89 VanDerWaalsContact CZ3-CD1 3.5Å; A86-L89 PolarHBondContact O-N 3.15Å; D87-L89 PolarHBondContact O-N 3.37Å; L89-V101 HydrophobicContact CD1-CG1 3.83Å; L89-V101 HydrophobicContact CD2-CB 3.89Å; L89-V101 HydrophobicContact CD2-CG1 3.86Å; L89-V101 HydrophobicContact CG-CB 4.15Å; L89-V101 HydrophobicContact CG-CG1 3.76Å; L89-L102 HydrophobicContact CD2-CD2 4.23Å; L89-L102 HydrophobicContact CD2-CG 4.12Å; L89-L126 HydrophobicContact CD1-CD1 4.27Å
90Q87.4Confident89.9Confident103 Ų10359.1 Ų59.148%0.48130%0.297SS..SBendtrans-59.9141.7178.7-61.5-63.9-1900110.7D87 L88 E92 R93D87-Q90 VanDerWaalsContact O-CG 3.29Å; D87-Q90 WeakPolarHBondContact O-CG 3.39Å; L88-Q90 VanDerWaalsContact C-N 3.35Å; Q90-E92 PolarHBondContact O-N 3.24Å; Q90-E92 VanDerWaalsContact O-N 3.16Å; Q90-R93 HydrophobicContact CB-CG 3.94Å; Q90-R93 VanDerWaalsContact O-CB 3.26Å; Q90-R93 WeakPolarHBondContact O-CB 3.31Å; Q90-R93 PolarHBondContact O-N 3.5Å
91P82.8Confident89.9Confident82 Ų8257.7 Ų57.753%0.53229%0.285SS..THydrogen-bonded Turntrans-62.6-24.3-173.921.8-29.6000114R93 R98P91-R93 VanDerWaalsContact C-N 3.26Å; P91-R93 PolarHBondContact O-N 3.22Å; P91-R98 PolarHBondContact O-NH1 2.99Å
92E91.8Very high89.8Confident154 Ų15460.9 Ų60.972%0.7230%0.302SS*.THydrogen-bonded Turntrans-74.3-17.1175.8-58.271.5-155.400112.5Q90Q90-E92 PolarHBondContact O-N 3.24Å; Q90-E92 VanDerWaalsContact O-N 3.16Å
93R89.3Confident89.7Confident88 Ų8861.6 Ų61.633%0.33232%0.316SS..SBendtrans-73.1146178.5-62.1-69.8-164.9-165.87.5110D87 L88 Q90 P91 A97 R98D87-R93 WeakPolarHBondContact O-CG 3.39Å; D87-R93 PolarHBondContact O-NE 3.25Å; D87-R93 IonicContact OD2-CZ 2.68Å; D87-R93 IonicContact OD2-NE 3.9Å; D87-R93 IonicContact OD2-NH2 2.82Å; D87-R93 PolarHBondContact OD2-NH2 3.3Å; L88-R93 WeakPolarHBondContact O-CB 3.42Å; Q90-R93 HydrophobicContact CB-CG 3.94Å; Q90-R93 VanDerWaalsContact O-CB 3.26Å; Q90-R93 WeakPolarHBondContact O-CB 3.31Å; Q90-R93 PolarHBondContact O-N 3.5Å; P91-R93 VanDerWaalsContact C-N 3.26Å; P91-R93 PolarHBondContact O-N 3.22Å; R93-A97 HydrophobicContact CB-CB 4.45Å; R93-R98 HydrophobicContact CB-CG 4.32Å; R93-R98 VanDerWaalsContact O-CZ 3.29Å; R93-R98 PolarHBondContact O-NE 3.3Å; R93-R98 PolarHBondContact O-NH2 3.12Å
94P92.5Very high89.3Confident53 Ų5355 Ų5534%0.34429%0.289SS..  trans-55.5150.217623.5-33.6000111.2L54 E96 A97 R98L54-P94 HydrophobicContact CD1-CG 3.56Å; L54-P94 HydrophobicContact CD2-CG 3.77Å; L54-P94 HydrophobicContact CG-CG 4.33Å; P94-E96 WeakPolarHBondContact CB-OE2 3.48Å; P94-E96 PolarHBondContact O-N 3.49Å; P94-A97 HydrophobicContact CG-CB 4.06Å; P94-A97 PolarHBondContact O-N 2.77Å; P94-A97 VanDerWaalsContact O-N 3.12Å; P94-R98 PolarHBondContact O-N 3.23Å
95L90.4Very high88.4Confident87 Ų8756.2 Ų56.246%0.45529%0.293SS..Hα-helixtrans-58.2-37.5-175.3-177.164.8000111.5A97 R98 H99L95-A97 VanDerWaalsContact C-N 3.32Å; L95-A97 PolarHBondContact O-N 2.87Å; L95-R98 PolarHBondContact O-N 3.18Å; L95-H99 VanDerWaalsContact CD1-NE2 3.33Å; L95-H99 WeakPolarHBondContact CD1-NE2 3.26Å; L95-H99 WeakPolarHBondContact CG-CE1 3.3Å; L95-H99 WeakPolarHBondContact O-CB 3.27Å; L95-H99 VanDerWaalsContact O-CG 3.29Å; L95-H99 PolarHBondContact O-N 2.89Å
96E92.4Very high87.4Confident121 Ų12163.2 Ų63.257%0.56532%0.323SS*.Hα-helixtrans-58.6-42.6178.4-6176.8-170.500111.6I58 P94 H99 A100I58-E96 HydrophobicContact CD1-CB 4.01Å; P94-E96 WeakPolarHBondContact CB-OE2 3.48Å; P94-E96 PolarHBondContact O-N 3.49Å; E96-H99 PolarHBondContact O-N 3.09Å; E96-A100 WeakPolarHBondContact O-CB 3.41Å; E96-A100 PolarHBondContact O-N 3.12Å
97A90.9Very high85.8Confident0 Ų064.8 Ų64.80%033%0.33CS..Hα-helixtrans-65.8-46.3178.500000111.6L54 I58 L88 R93 P94 L95 H99 A100 V101L54-A97 HydrophobicContact CD1-CB 4.32Å; L54-A97 HydrophobicContact CD2-CB 4.4Å; L54-A97 HydrophobicContact CG-CB 4.45Å; I58-A97 HydrophobicContact CD1-CB 3.89Å; I58-A97 HydrophobicContact CG1-CB 4.14Å; L88-A97 HydrophobicContact CB-CB 4.33Å; L88-A97 HydrophobicContact CD2-CB 4.32Å; R93-A97 HydrophobicContact CB-CB 4.45Å; P94-A97 HydrophobicContact CG-CB 4.06Å; P94-A97 PolarHBondContact O-N 2.77Å; P94-A97 VanDerWaalsContact O-N 3.12Å; L95-A97 VanDerWaalsContact C-N 3.32Å; L95-A97 PolarHBondContact O-N 2.87Å; A97-H99 VanDerWaalsContact C-N 3.35Å; A97-H99 PolarHBondContact O-N 3.16Å; A97-A100 PolarHBondContact O-N 2.92Å; A97-V101 PolarHBondContact O-N 3.5Å
98R91.6Very high84Confident75 Ų7567.1 Ų67.128%0.28335%0.347SS..Hα-helixtrans-61.7-44.3178.1-66.2-178.5-76.9-178.6-5.8111.1L88 P91 R93 P94 L95 A100 V101 L102L88-R98 VanDerWaalsContact O-CG 3.23Å; L88-R98 WeakPolarHBondContact O-CG 3.46Å; P91-R98 PolarHBondContact O-NH1 2.99Å; R93-R98 HydrophobicContact CB-CG 4.32Å; R93-R98 VanDerWaalsContact O-CZ 3.29Å; R93-R98 PolarHBondContact O-NE 3.3Å; R93-R98 PolarHBondContact O-NH2 3.12Å; P94-R98 PolarHBondContact O-N 3.23Å; L95-R98 PolarHBondContact O-N 3.18Å; R98-A100 PolarHBondContact O-N 3.47Å; R98-V101 PolarHBondContact O-N 3.04Å; R98-L102 VanDerWaalsContact O-CG 3.29Å; R98-L102 WeakPolarHBondContact O-CG 3.49Å; R98-L102 PolarHBondContact O-N 3.23Å
99H90.6Very high81.8Confident106 Ų10671.5 Ų71.549%0.49137%0.374SS..Hα-helixtrans-63.7-39.2177.4-74.1175.7000113.1L95 E96 A97 L102 A103L95-H99 VanDerWaalsContact CD1-NE2 3.33Å; L95-H99 WeakPolarHBondContact CD1-NE2 3.26Å; L95-H99 WeakPolarHBondContact CG-CE1 3.3Å; L95-H99 WeakPolarHBondContact O-CB 3.27Å; L95-H99 VanDerWaalsContact O-CG 3.29Å; L95-H99 PolarHBondContact O-N 2.89Å; E96-H99 PolarHBondContact O-N 3.09Å; A97-H99 VanDerWaalsContact C-N 3.35Å; A97-H99 PolarHBondContact O-N 3.16Å; H99-L102 PolarHBondContact O-N 3.34Å; H99-A103 WeakPolarHBondContact O-CB 3.29Å; H99-A103 PolarHBondContact O-N 3.18Å
100A90.4Very high79.7Confident14 Ų1475.9 Ų75.912%0.11640%0.404CS..Hα-helixtrans-60.3-4717700000111.5I58 I61 E96 A97 R98 L102 A103 L104I58-A100 HydrophobicContact CG2-CB 4.1Å; I61-A100 HydrophobicContact CB-CB 4.31Å; I61-A100 HydrophobicContact CD1-CB 4.44Å; I61-A100 HydrophobicContact CG2-CB 3.95Å; I61-A100 WeakPolarHBondContact CG2-O 3.23Å; E96-A100 WeakPolarHBondContact O-CB 3.41Å; E96-A100 PolarHBondContact O-N 3.12Å; A97-A100 PolarHBondContact O-N 2.92Å; R98-A100 PolarHBondContact O-N 3.47Å; A100-L102 PolarHBondContact O-N 3.41Å; A100-A103 WeakPolarHBondContact O-CB 3.36Å; A100-A103 PolarHBondContact O-N 3.25Å; A100-L104 PolarHBondContact O-N 3.33Å
101V89.1Confident77.6Confident0 Ų073.4 Ų73.40%040%0.396CS..Hα-helixtrans-63.6-42.9177178.30000111.5I61 W82 V85 L88 L89 A97 R98 A103 L104 L105I61-V101 HydrophobicContact CD1-CG2 3.91Å; W82-V101 HydrophobicContact CZ3-CG1 4.29Å; V85-V101 HydrophobicContact CB-CG2 4.03Å; V85-V101 HydrophobicContact CG2-CG1 3.91Å; V85-V101 HydrophobicContact CG2-CG2 3.99Å; L88-V101 HydrophobicContact CB-CG2 3.76Å; L88-V101 HydrophobicContact CD1-CG2 4.12Å; L89-V101 HydrophobicContact CD1-CG1 3.83Å; L89-V101 HydrophobicContact CD2-CB 3.89Å; L89-V101 HydrophobicContact CD2-CG1 3.86Å; L89-V101 HydrophobicContact CG-CB 4.15Å; L89-V101 HydrophobicContact CG-CG1 3.76Å; A97-V101 PolarHBondContact O-N 3.5Å; R98-V101 PolarHBondContact O-N 3.04Å; V101-A103 VanDerWaalsContact C-N 3.27Å; V101-A103 PolarHBondContact O-N 3.29Å; V101-L104 WeakPolarHBondContact O-CB 3.21Å; V101-L104 PolarHBondContact O-N 3.48Å; V101-L104 VanDerWaalsContact O-N 3.15Å; V101-L105 PolarHBondContact O-N 3.32Å
102L86.3Confident75.6Confident69 Ų6973 Ų7336%0.36139%0.393SS..Hα-helixtrans-64.5-32.1177.5-68.9172.5000112.5L89 R98 H99 A100 L104 L105 K106 L126L89-L102 HydrophobicContact CD2-CD2 4.23Å; L89-L102 HydrophobicContact CD2-CG 4.12Å; R98-L102 VanDerWaalsContact O-CG 3.29Å; R98-L102 WeakPolarHBondContact O-CG 3.49Å; R98-L102 PolarHBondContact O-N 3.23Å; H99-L102 PolarHBondContact O-N 3.34Å; A100-L102 PolarHBondContact O-N 3.41Å; L102-L104 VanDerWaalsContact C-N 3.33Å; L102-L105 PolarHBondContact O-N 3.22Å; L102-K106 PolarHBondContact O-N 2.95Å; L102-K106 VanDerWaalsContact O-N 3.09Å; L102-L126 HydrophobicContact CD2-CD2 4.46Å
103A84.2Confident73.5Confident54 Ų5469 Ų6945%0.44639%0.387SS..Hα-helixtrans-66.4-34.9174.300000112.2H99 A100 V101 L105 K106H99-A103 WeakPolarHBondContact O-CB 3.29Å; H99-A103 PolarHBondContact O-N 3.18Å; A100-A103 WeakPolarHBondContact O-CB 3.36Å; A100-A103 PolarHBondContact O-N 3.25Å; V101-A103 VanDerWaalsContact C-N 3.27Å; V101-A103 PolarHBondContact O-N 3.29Å; A103-L105 VanDerWaalsContact C-N 3.3Å; A103-L105 PolarHBondContact O-N 3.42Å; A103-K106 PolarHBondContact O-N 3.43Å
104L80.4Confident71.2Confident32 Ų3271.9 Ų71.917%0.16840%0.399CS..Hα-helixtrans-66.2-33.4174.2-173.1126.2000112.3I61 I64 C65 L81 A100 V101 L102 K106I61-L104 HydrophobicContact CG2-CB 4.14Å; I61-L104 HydrophobicContact CG2-CD1 4.14Å; I64-L104 HydrophobicContact CB-CD1 4.13Å; I64-L104 HydrophobicContact CG2-CD1 3.67Å; C65-L104 WeakPolarHBondContact SG-CA 3.47Å; C65-L104 PolarHBondContact SG-N 3.37Å; C65-L104 VanDerWaalsContact SG-N 3.44Å; L81-L104 HydrophobicContact CD1-CD1 4.49Å; A100-L104 PolarHBondContact O-N 3.33Å; V101-L104 WeakPolarHBondContact O-CB 3.21Å; V101-L104 PolarHBondContact O-N 3.48Å; V101-L104 VanDerWaalsContact O-N 3.15Å; L102-L104 VanDerWaalsContact C-N 3.33Å; L104-K106 VanDerWaalsContact C-N 3.33Å
105L73.6Confident69.1Low47 Ų4773.2 Ų73.225%0.24640%0.403CS..Hα-helixtrans-81.4-12.8176-61.5178.7000113.4W82 V101 L102 A103 P107W82-L105 HydrophobicContact CE3-CD2 4.39Å; W82-L105 HydrophobicContact CZ3-CD1 3.91Å; V101-L105 PolarHBondContact O-N 3.32Å; L102-L105 PolarHBondContact O-N 3.22Å; A103-L105 VanDerWaalsContact C-N 3.3Å; A103-L105 PolarHBondContact O-N 3.42Å; L105-P107 VanDerWaalsContact O-CD 3.31Å; L105-P107 WeakPolarHBondContact O-CD 3.38Å
106K69.9Low67Low149 Ų14975 Ų7565%0.64840%0.404SS*.SBendtrans-81.8114.3-179.9-171.1173.7-178.8174.50108.6L102 A103 L104L102-K106 PolarHBondContact O-N 2.95Å; L102-K106 VanDerWaalsContact O-N 3.09Å; A103-K106 PolarHBondContact O-N 3.43Å; L104-K106 VanDerWaalsContact C-N 3.33Å
107P56.8Low64.6Low64 Ų6472.9 Ų72.942%0.41640%0.401SS..  trans-62.1142.1178.825.3-32.8000110.2L105 T109 T111L105-P107 VanDerWaalsContact O-CD 3.31Å; L105-P107 WeakPolarHBondContact O-CD 3.38Å; P107-T109 PolarHBondContact O-N 3.29Å; P107-T109 VanDerWaalsContact O-N 3.12Å; P107-T111 HydrophobicContact CB-CG2 4.46Å; P107-T111 WeakPolarHBondContact CB-OG1 3.29Å
108P53.8Low62.4Low81 Ų8177.2 Ų77.253%0.52643%0.428SS..SBendtrans-69.9-3.2-176.525.3-32.9000114.8K69K69-P108 HydrophobicContact CB-CB 4.46Å; K69-P108 HydrophobicContact CG-CB 4Å
109T44.9Very low60.3Low92 Ų9276 Ų7656%0.56443%0.427SS*.SBendtrans-151.8165.5179.154.30000109.7P107 T111P107-T109 PolarHBondContact O-N 3.29Å; P107-T109 VanDerWaalsContact O-N 3.12Å; T109-T111 PolarHBondContact O-N 3.47Å
110P44.7Very low58.2Low123 Ų12377.5 Ų77.580%0.79943%0.428SS*.  trans-68.484.617428.7-33.9000109.9
111T43.4Very low56.2Low51 Ų5180.6 Ų80.631%0.31345%0.447SS..  trans-75138168.846.80000109.5P107 T109 L115P107-T111 HydrophobicContact CB-CG2 4.46Å; P107-T111 WeakPolarHBondContact CB-OG1 3.29Å; T109-T111 PolarHBondContact O-N 3.47Å; T111-L115 HydrophobicContact CG2-CD1 4.04Å
112P41Very low54.3Low72 Ų7283.1 Ų83.147%0.46846%0.46SS..  trans-62.6155.1177.9-10.523.1000111.4Y114 L115P112-Y114 HydrophobicContact CB-CD1 3.66Å; P112-Y114 HydrophobicContact CB-CE1 3.3Å; P112-Y114 VanDerWaalsContact CD-CZ 3.5Å; P112-Y114 VanDerWaalsContact CD-OH 3.27Å; P112-Y114 WeakPolarHBondContact CD-OH 3.42Å; P112-Y114 HydrophobicContact CG-CD1 4.19Å; P112-Y114 HydrophobicContact CG-CE1 3.31Å; P112-Y114 WeakPolarHBondContact CG-OH 3.38Å; P112-Y114 PolarHBondContact O-N 3.36Å; P112-L115 PolarHBondContact O-N 3.27Å
113A47.3Very low52.3Low72 Ų7281.6 Ų81.660%0.59546%0.457SS*.THydrogen-bonded Turntrans-51.8-10.3-167.700000117.1L115 W116 C117A113-L115 PolarHBondContact O-N 3.44Å; A113-W116 WeakPolarHBondContact O-CB 3.33Å; A113-W116 PolarHBondContact O-N 3.5Å; A113-C117 PolarHBondContact O-N 2.95Å
114Y41.5Very low50.4Low148 Ų14886.4 Ų86.458%0.5847%0.468SS*.Hα-helixtrans-66.4-30.5-178.950-109.5000114.4P112 C117 T118P112-Y114 HydrophobicContact CB-CD1 3.66Å; P112-Y114 HydrophobicContact CB-CE1 3.3Å; P112-Y114 VanDerWaalsContact CD-CZ 3.5Å; P112-Y114 VanDerWaalsContact CD-OH 3.27Å; P112-Y114 WeakPolarHBondContact CD-OH 3.42Å; P112-Y114 HydrophobicContact CG-CD1 4.19Å; P112-Y114 HydrophobicContact CG-CE1 3.31Å; P112-Y114 WeakPolarHBondContact CG-OH 3.38Å; P112-Y114 PolarHBondContact O-N 3.36Å; Y114-C117 PolarHBondContact O-N 2.89Å; Y114-T118 PolarHBondContact O-N 3.16Å; Y114-T118 PolarHBondContact O-OG1 2.95Å
115L47.2Very low48.6Very low81 Ų8190.1 Ų90.142%0.42449%0.494SS..Hα-helixtrans-74.8-30.3175.1-97.2150.8000112.2T111 P112 A113 C117 T118 L119T111-L115 HydrophobicContact CG2-CD1 4.04Å; P112-L115 PolarHBondContact O-N 3.27Å; A113-L115 PolarHBondContact O-N 3.44Å; L115-C117 VanDerWaalsContact C-N 3.32Å; L115-T118 WeakPolarHBondContact CA-OG1 3.43Å; L115-T118 PolarHBondContact O-N 3.45Å; L115-T118 PolarHBondContact O-OG1 2.75Å; L115-L119 PolarHBondContact O-N 3Å
116W47.5Very low47.2Very low125 Ų12591 Ų9147%0.47350%0.499SS..Hα-helixtrans-66.4-36.7170-170-101.6000111.3A113 T118 L119 R120 Q130A113-W116 WeakPolarHBondContact O-CB 3.33Å; A113-W116 PolarHBondContact O-N 3.5Å; W116-T118 VanDerWaalsContact C-N 3.34Å; W116-T118 PolarHBondContact O-N 3.19Å; W116-L119 PolarHBondContact O-N 3.07Å; W116-R120 WeakPolarHBondContact O-CB 3.35Å; W116-R120 PolarHBondContact O-N 3.23Å; W116-Q130 HydrophobicContact CZ2-CG 4.15Å
117C42.2Very low45.8Very low76 Ų7692.4 Ų92.451%0.51451%0.507SS..Hα-helixtrans-67.8-29.6176.8-71.20000113.5A113 Y114 L115 R120A113-C117 PolarHBondContact O-N 2.95Å; Y114-C117 PolarHBondContact O-N 2.89Å; L115-C117 VanDerWaalsContact C-N 3.32Å; C117-R120 WeakPolarHBondContact O-CB 3.44Å
118T44.4Very low45.1Very low91 Ų91100.8 Ų100.856%0.55853%0.531SS*.Hα-helixtrans-81.3-27.8176.115.70000113Y114 L115 W116 P121Y114-T118 PolarHBondContact O-N 3.16Å; Y114-T118 PolarHBondContact O-OG1 2.95Å; L115-T118 WeakPolarHBondContact CA-OG1 3.43Å; L115-T118 PolarHBondContact O-N 3.45Å; L115-T118 PolarHBondContact O-OG1 2.75Å; W116-T118 VanDerWaalsContact C-N 3.34Å; W116-T118 PolarHBondContact O-N 3.19Å; T118-P121 WeakPolarHBondContact O-CD 3.39Å
119L46.8Very low44.5Very low49 Ų49103.4 Ų103.426%0.25754%0.539SS..Hα-helixtrans-83.2-15.8171.9-72.7164.9000113.3V78 L115 W116 P121 I122 A123V78-L119 HydrophobicContact CG1-CD2 4.25Å; L115-L119 PolarHBondContact O-N 3Å; W116-L119 PolarHBondContact O-N 3.07Å; L119-P121 VanDerWaalsContact C-CD 3.44Å; L119-I122 PolarHBondContact O-N 3.27Å; L119-I122 VanDerWaalsContact O-N 3.07Å; L119-A123 PolarHBondContact O-N 3.04Å
120R46.6Very low44.5Very low138 Ų138103.9 Ų103.952%0.52154%0.535SS..THydrogen-bonded Turntrans-57.3-35.7179.2-170.3179.9-99.2-148.7-5.5115.1W116 C117 I122W116-R120 WeakPolarHBondContact O-CB 3.35Å; W116-R120 PolarHBondContact O-N 3.23Å; C117-R120 WeakPolarHBondContact O-CB 3.44Å; R120-I122 VanDerWaalsContact C-N 3.3Å
121P48.5Very low44.5Very low78 Ų78102 Ų10251%0.50652%0.523SS..THydrogen-bonded Turntrans-70.9-25.4174.7-16.231000113.5T118 L119 K124T118-P121 WeakPolarHBondContact O-CD 3.39Å; L119-P121 VanDerWaalsContact C-CD 3.44Å; P121-K124 WeakPolarHBondContact O-CD 3.4Å; P121-K124 WeakPolarHBondContact O-CG 3.46Å
122I50Low44.5Very low53 Ų53102.3 Ų102.327%0.27253%0.527SS..THydrogen-bonded Turntrans-90.9-32.5-173.9-60.9173.4000111E79 W82 L119 R120 K124E79-I122 HydrophobicContact CG-CD1 4.36Å; W82-I122 HydrophobicContact CB-CG2 4.43Å; W82-I122 HydrophobicContact CD2-CG2 3.98Å; W82-I122 HydrophobicContact CG-CG2 3.64Å; W82-I122 VanDerWaalsContact NE1-CG2 3.3Å; L119-I122 PolarHBondContact O-N 3.27Å; L119-I122 VanDerWaalsContact O-N 3.07Å; R120-I122 VanDerWaalsContact C-N 3.3Å; I122-K124 PolarHBondContact O-N 3.18Å
123A44.5Very low45Very low38 Ų38103.3 Ų103.331%0.31453%0.534SS..  trans-80.216.9177.700000114.8L119 P125 L126L119-A123 PolarHBondContact O-N 3.04Å; A123-P125 VanDerWaalsContact C-N 3.31Å; A123-P125 WeakPolarHBondContact O-CD 3.44Å; A123-P125 VanDerWaalsContact O-N 3.12Å; A123-L126 PolarHBondContact O-N 2.99Å
124K44.2Very low45.2Very low155 Ų155105.7 Ų105.767%0.67453%0.532SS*.THydrogen-bonded Turntrans-63-8.7-173.9-79.8-179.2175.6174.90117.8P121 I122P121-K124 WeakPolarHBondContact O-CD 3.4Å; P121-K124 WeakPolarHBondContact O-CG 3.46Å; I122-K124 PolarHBondContact O-N 3.18Å
125P41.2Very low45.7Very low109 Ų109102.6 Ų102.671%0.70853%0.525SS*.THydrogen-bonded Turntrans-87.4-10.9165.82.815.5000113.7A123 H127A123-P125 VanDerWaalsContact C-N 3.31Å; A123-P125 WeakPolarHBondContact O-CD 3.44Å; A123-P125 VanDerWaalsContact O-N 3.12Å; P125-H127 VanDerWaalsContact C-N 3.27Å; P125-H127 PolarHBondContact O-N 3.48Å; P125-H127 VanDerWaalsContact O-N 3.12Å
126L44.3Very low45.8Very low66 Ų66101.5 Ų101.535%0.34653%0.528SS..  trans-89.542.7-173.8-127.885.8000113.1L89 L102 A123 R128L89-L126 HydrophobicContact CD1-CD1 4.27Å; L102-L126 HydrophobicContact CD2-CD2 4.46Å; A123-L126 PolarHBondContact O-N 2.99Å; L126-R128 PolarHBondContact O-N 3.21Å
127H41.5Very low45.8Very low178 Ų178102.5 Ų102.582%0.82454%0.54SS*.THydrogen-bonded Turntrans-7723-172.2-131.7-95000115.2P125P125-H127 VanDerWaalsContact C-N 3.27Å; P125-H127 PolarHBondContact O-N 3.48Å; P125-H127 VanDerWaalsContact O-N 3.12Å
128R42Very low46.1Very low241 Ų241106 Ų10691%0.90954%0.542SS*.THydrogen-bonded Turntrans-128.14.9179.6-114.7-172.5-163.1-156.75.6115.8L126L126-R128 PolarHBondContact O-N 3.21Å
129L40.2Very low46.2Very low135 Ų135107.7 Ų107.771%0.70754%0.538SS*.  trans-138.165.4179.5-67.8170.3000111
130Q45.3Very low46.2Very low103 Ų103109.2 Ų109.248%0.48156%0.558SS.*  trans-131.8132162.6-91.1-99.5-96.200109.8W116W116-Q130 HydrophobicContact CZ2-CG 4.15Å
131P45.5Very low46.5Very low84 Ų84106.3 Ų106.355%0.54556%0.559SS.*  trans-67.2147.9161.229.3-31.1000109.5
132S43.4Very low46.4Very low56 Ų56105.9 Ų105.939%0.39257%0.568SS.*  trans-53143.1-174.8-64.70000113.2H134 L135 A136S132-H134 WeakPolarHBondContact CB-CE1 3.34Å; S132-H134 WeakPolarHBondContact CB-ND1 3.38Å; S132-H134 PolarHBondContact O-N 3.4Å; S132-L135 WeakPolarHBondContact O-CB 3.42Å; S132-L135 PolarHBondContact O-N 2.97Å; S132-A136 PolarHBondContact O-N 3.43Å
133P50.5Low46.4Very low94 Ų94107 Ų10761%0.6158%0.581SS**Hα-helixtrans-57.7-26.9-175.719.2-30.9000113.9L135 A136 M137P133-L135 VanDerWaalsContact C-N 3.35Å; P133-A136 PolarHBondContact O-N 3.26Å; P133-M137 PolarHBondContact O-N 3.46Å
134H51.5Low46.6Very low122 Ų122107.1 Ų107.157%0.56558%0.582SS**Hα-helixtrans-66.8-32.9174.165.7-102.5000113.2S132 R138S132-H134 WeakPolarHBondContact CB-CE1 3.34Å; S132-H134 WeakPolarHBondContact CB-ND1 3.38Å; S132-H134 PolarHBondContact O-N 3.4Å; H134-R138 WeakPolarHBondContact O-CB 3.05Å; H134-R138 PolarHBondContact O-N 3.08Å
135L52.2Low46.9Very low82 Ų82105.4 Ų105.443%0.42959%0.589SS.*Hα-helixtrans-73.7-35.7177.4-88.3152.2000111.4S132 P133 R138 W139S132-L135 WeakPolarHBondContact O-CB 3.42Å; S132-L135 PolarHBondContact O-N 2.97Å; P133-L135 VanDerWaalsContact C-N 3.35Å; L135-R138 PolarHBondContact O-N 2.87Å; L135-W139 PolarHBondContact O-N 3.26Å; L135-W139 VanDerWaalsContact O-N 3.08Å
136A50.6Low46.9Very low58 Ų58104.5 Ų104.548%0.47959%0.586SS.*Hα-helixtrans-64.7-43.7175.600000112S132 P133 R138 W139 A140S132-A136 PolarHBondContact O-N 3.43Å; P133-A136 PolarHBondContact O-N 3.26Å; A136-R138 VanDerWaalsContact C-N 3.34Å; A136-R138 PolarHBondContact O-N 3.25Å; A136-W139 PolarHBondContact O-N 3.36Å; A136-A140 PolarHBondContact O-N 3.02Å
137M47.3Very low46.8Very low147 Ų147105.1 Ų105.172%0.72459%0.594SS**Hα-helixtrans-63.7-39.8176.2-71.7-71.8-85.400112.1P133 W139 A140 S141P133-M137 PolarHBondContact O-N 3.46Å; M137-W139 VanDerWaalsContact C-N 3.32Å; M137-W139 PolarHBondContact O-N 3.12Å; M137-A140 PolarHBondContact O-N 3.43Å; M137-S141 PolarHBondContact O-N 3.04Å
138R48.8Very low46.9Very low150 Ų150107.9 Ų107.957%0.56660%0.597SS**Hα-helixtrans-74.8-20.5-178.2-162170.7162.6-142.8-4.8113.8H134 L135 A136 S141 S143H134-R138 WeakPolarHBondContact O-CB 3.05Å; H134-R138 PolarHBondContact O-N 3.08Å; L135-R138 PolarHBondContact O-N 2.87Å; A136-R138 VanDerWaalsContact C-N 3.34Å; A136-R138 PolarHBondContact O-N 3.25Å; R138-S141 PolarHBondContact O-OG 3.42Å; R138-S143 PolarHBondContact O-N 3.15Å
139W46.1Very low46.8Very low126 Ų126106.9 Ų106.948%0.47759%0.593SS.*Hα-helixtrans-78.3-41.5170.4-160.764.2000111.5L135 A136 M137 S141 G142 A144L135-W139 PolarHBondContact O-N 3.26Å; L135-W139 VanDerWaalsContact O-N 3.08Å; A136-W139 PolarHBondContact O-N 3.36Å; M137-W139 VanDerWaalsContact C-N 3.32Å; M137-W139 PolarHBondContact O-N 3.12Å; W139-S141 PolarHBondContact O-N 2.87Å; W139-G142 PolarHBondContact O-N 2.94Å; W139-A144 PolarHBondContact NE1-O 3.1Å
140A45.7Very low46.6Very low81 Ų81111 Ų11167%0.66960%0.6SS**Hα-helixtrans-62.3-26.9176.200000113.2A136 M137 G142A136-A140 PolarHBondContact O-N 3.02Å; M137-A140 PolarHBondContact O-N 3.43Å; A140-G142 VanDerWaalsContact C-N 3.26Å; A140-G142 PolarHBondContact O-N 3.44Å
141S52.8Low46.5Very low76 Ų76112.1 Ų112.153%0.53161%0.613SS.*THydrogen-bonded Turntrans-82.67.3174.463.50000114.4M137 R138 W139 S143M137-S141 PolarHBondContact O-N 3.04Å; R138-S141 PolarHBondContact O-OG 3.42Å; W139-S141 PolarHBondContact O-N 2.87Å; S141-S143 PolarHBondContact O-N 2.79Å; S141-S143 VanDerWaalsContact O-N 3.15Å; S141-S143 PolarHBondContact O-OG 3.23Å; S141-S143 PolarHBondContact OG-OG 3.05Å; S141-S143 VanDerWaalsContact OG-OG 3.08Å
142G46.2Very low45.8Very low69 Ų69113.2 Ų113.271%0.71162%0.623SS**THydrogen-bonded Turntrans68.310.1179.500000114.5W139 A140W139-G142 PolarHBondContact O-N 2.94Å; A140-G142 VanDerWaalsContact C-N 3.26Å; A140-G142 PolarHBondContact O-N 3.44Å
143S50.6Low45.6Very low78 Ų78116 Ų11655%0.54564%0.64SS.*  trans-925.6-172.8-44.10000113.9R138 S141R138-S143 PolarHBondContact O-N 3.15Å; S141-S143 PolarHBondContact O-N 2.79Å; S141-S143 VanDerWaalsContact O-N 3.15Å; S141-S143 PolarHBondContact O-OG 3.23Å; S141-S143 PolarHBondContact OG-OG 3.05Å; S141-S143 VanDerWaalsContact OG-OG 3.08Å
144A49.5Very low45.3Very low39 Ų39116.7 Ų116.732%0.32265%0.647SS.*SBendtrans-143.1132.8179.800000111.7W139W139-A144 PolarHBondContact NE1-O 3.1Å
145S49.8Very low44.6Very low119 Ų119122.6 Ų122.683%0.83268%0.681SS**  trans-63146170.6-57.70000110.9
146S41.2Very low44.3Very low91 Ų91124.7 Ų124.764%0.63669%0.694SS**  trans-33.7126.6179.6-166.60000112.8R148S146-R148 PolarHBondContact O-N 3.41Å
147P43.3Very low43.9Very low79 Ų79128.2 Ų128.251%0.51371%0.705SS.*  trans-61.8106.9-179.224.3-31.9000108.8W149P147-W149 PolarHBondContact O-N 3.39Å
148R42.6Very low43.8Very low235 Ų235127.1 Ų127.189%0.88770%0.704SS**  trans-57.5108.6166.1-177.8-179.8-70.8-118.71.4106.1S146 R150S146-R148 PolarHBondContact O-N 3.41Å; R148-R150 VanDerWaalsContact C-N 3.31Å; R148-R150 PolarHBondContact O-N 3.04Å
149W40.4Very low43.5Very low221 Ų221125.8 Ų125.884%0.83771%0.712SS**  trans-51.598.2171.1-58.990.8000107.8P147 T151P147-W149 PolarHBondContact O-N 3.39Å; W149-T151 VanDerWaalsContact C-N 3.31Å; W149-T151 PolarHBondContact O-N 3.2Å
150R36.4Very low43.3Very low222 Ų222125.8 Ų125.884%0.83873%0.727SS**  trans-76.895.2171.6-169.1-176.6-67-103.74.2104.7R148 S152R148-R150 VanDerWaalsContact C-N 3.31Å; R148-R150 PolarHBondContact O-N 3.04Å; R150-S152 PolarHBondContact O-N 3.08Å; R150-S152 VanDerWaalsContact O-N 3.1Å
151T41.9Very low43.1Very low125 Ų125128.7 Ų128.777%0.76773%0.731SS**  trans-54.5113.7154.443.30000105.8W149 P153W149-T151 VanDerWaalsContact C-N 3.31Å; W149-T151 PolarHBondContact O-N 3.2Å; T151-P153 WeakPolarHBondContact O-CD 3.22Å
152S32.1Very low42.4Very low107 Ų107132.5 Ų132.575%0.74875%0.745SS**PPolyproline II helixtrans-52.4124.5171.8-67.60000108.2R150 S154R150-S152 PolarHBondContact O-N 3.08Å; R150-S152 VanDerWaalsContact O-N 3.1Å; S152-S154 PolarHBondContact O-N 3.35Å
153P39.3Very low42.2Very low114 Ų114137.4 Ų137.474%0.7475%0.748SS**PPolyproline II helixtrans-71.3120.115620.6-9.2000106.1T151 L155T151-P153 WeakPolarHBondContact O-CD 3.22Å; P153-L155 PolarHBondContact O-N 3.34Å
154S42.6Very low41.4Very low109 Ų109142.3 Ų142.376%0.76277%0.765SS**PPolyproline II helixtrans-53.8120.8158.135.90000109.5S152S152-S154 PolarHBondContact O-N 3.35Å
155L38.5Very low40.7Very low247 Ų247151.7 Ų151.7100%1.29381%0.805SS**  trans-177.10131.6-92.7164.3000108.7P153P153-L155 PolarHBondContact O-N 3.34Å

Retrieved 155 of 155 residues in 71 ms (Link to these results)