X5DP08_HUMAN Loading...

Tuberous sclerosis 2 isoform N

AlphaFold DB , UniProt , Accession X5DP08, Species HUMAN (Homo sapiens, Human), Gene TSC2, Length 212 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
1M40.4Very low49.6Very low252 Ų252124.6 Ų124.6100%1.24171%0.714SS**  0111.60-73.1-174.8172.500108.5
2A39Very low50.7Low105 Ų105119.8 Ų119.887%0.86868%0.678SS**PPolyproline II helixtrans-101.5119.8178.600000109.8
3K44.5Very low52Low196 Ų196119.2 Ų119.285%0.85267%0.666SS**PPolyproline II helixtrans-70.3135.4172.7-107.8169.9171.9170.90109.4T5K3-T5 PolarHBondContact O-N 3.41Å
4P45.6Very low53.1Low128 Ų128121.7 Ų121.783%0.83167%0.667SS**PPolyproline II helixtrans-72.6124.2174.928.1-30.6000110.3
5T43.8Very low54Low137 Ų137114.3 Ų114.384%0.8463%0.625SS**PPolyproline II helixtrans-80129.3176.243.40000110.5K3 K7K3-T5 PolarHBondContact O-N 3.41Å; T5-K7 PolarHBondContact O-N 2.88Å
6S45.4Very low54.8Low89 Ų89113.9 Ų113.962%0.62262%0.615SS**  trans-67.7108.8-173.5-167.50000112.1D8S6-D8 PolarHBondContact O-N 2.9Å
7K51.3Low55.6Low200 Ų200114.5 Ų114.587%0.8762%0.617SS**THydrogen-bonded Turntrans-69.1-8.4172-104174.3175.8174.10113.9T5T5-K7 PolarHBondContact O-N 2.88Å
8D54.5Low56.2Low71 Ų71113.2 Ų113.238%0.3861%0.609SS.*Hα-helixtrans-80.5-23-168.5-161.5-129.4000113.2S6 K12S6-D8 PolarHBondContact O-N 2.9Å; D8-K12 WeakPolarHBondContact O-CD 3.4Å; D8-K12 VanDerWaalsContact O-CG 3.27Å; D8-K12 WeakPolarHBondContact O-CG 3.46Å; D8-K12 PolarHBondContact O-N 3.41Å; D8-K12 WeakPolarHBondContact OD1-CE 3.33Å; D8-K12 IonicContact OD1-NZ 3.92Å; D8-K12 PolarHBondContact OD1-NZ 2.67Å
9S55.8Low56.7Low72 Ų72107.6 Ų107.650%0.50358%0.579SS.*Hα-helixtrans-71.3-36.5-178.2-66.80000113.2K12 E13S9-K12 PolarHBondContact O-N 3.24Å; S9-E13 PolarHBondContact O-N 3.24Å
10G61.8Low57Low41 Ų41104.9 Ų104.942%0.42358%0.577SS.*Hα-helixtrans-68-37.9-175.600000113.9K14G10-K14 VanDerWaalsContact O-CG 3.24Å; G10-K14 WeakPolarHBondContact O-CG 3.41Å; G10-K14 PolarHBondContact O-N 2.78Å
11L63.3Low57.2Low80 Ų80105.2 Ų105.242%0.41958%0.578SS.*Hα-helixtrans-68.7-43.2174.2-97.1108.7000111.2E13 K14 F15 E47L11-E13 VanDerWaalsContact C-N 3.3Å; L11-E13 PolarHBondContact O-N 3.34Å; L11-K14 PolarHBondContact O-N 2.93Å; L11-F15 WeakPolarHBondContact O-CB 3.24Å; L11-F15 PolarHBondContact O-N 3.24Å; L11-E47 WeakPolarHBondContact CD2-OE1 3.33Å
12K63.2Low57.7Low66 Ų6695.4 Ų95.429%0.28754%0.541SS..Hα-helixtrans-59.8-39.7177.4-70.5174.9-179.9176.90112.7D8 S9 F15 K16D8-K12 WeakPolarHBondContact O-CD 3.4Å; D8-K12 VanDerWaalsContact O-CG 3.27Å; D8-K12 WeakPolarHBondContact O-CG 3.46Å; D8-K12 PolarHBondContact O-N 3.41Å; D8-K12 WeakPolarHBondContact OD1-CE 3.33Å; D8-K12 IonicContact OD1-NZ 3.92Å; D8-K12 PolarHBondContact OD1-NZ 2.67Å; S9-K12 PolarHBondContact O-N 3.24Å; K12-F15 PolarHBondContact O-N 3.09Å; K12-K16 VanDerWaalsContact O-CG 3.29Å; K12-K16 WeakPolarHBondContact O-CG 3.12Å; K12-K16 PolarHBondContact O-N 2.99Å
13E67.1Low57.9Low112 Ų11297.1 Ų97.152%0.52354%0.541SS..Hα-helixtrans-62.5-49.8176.3-146.783.2-169.100110.7S9 L11 F15 K16 I17S9-E13 PolarHBondContact O-N 3.24Å; L11-E13 VanDerWaalsContact C-N 3.3Å; L11-E13 PolarHBondContact O-N 3.34Å; E13-F15 VanDerWaalsContact C-N 3.25Å; E13-F15 PolarHBondContact O-N 3.36Å; E13-K16 PolarHBondContact O-N 2.85Å; E13-I17 VanDerWaalsContact O-CG1 3.31Å; E13-I17 WeakPolarHBondContact O-CG1 3.45Å; E13-I17 PolarHBondContact O-N 3.42Å; E13-I17 VanDerWaalsContact O-N 3.09Å
14K67.5Low57.9Low155 Ų15593.5 Ų93.567%0.67454%0.538SS*.Hα-helixtrans-60-38.7177.3-68.6174.5-176.6-150.50111.6G10 L11 I17 L18G10-K14 VanDerWaalsContact O-CG 3.24Å; G10-K14 WeakPolarHBondContact O-CG 3.41Å; G10-K14 PolarHBondContact O-N 2.78Å; L11-K14 PolarHBondContact O-N 2.93Å; K14-I17 PolarHBondContact O-N 3.41Å; K14-L18 WeakPolarHBondContact O-CB 3.46Å; K14-L18 PolarHBondContact O-N 3.23Å
15F67.1Low57.7Low10 Ų1098.7 Ų98.74%0.04454%0.541CS..Hα-helixtrans-69.5-41.7178.4-147.6-92.4000112.3L11 K12 E13 I17 L18 L19 I44 M60L11-F15 WeakPolarHBondContact O-CB 3.24Å; L11-F15 PolarHBondContact O-N 3.24Å; K12-F15 PolarHBondContact O-N 3.09Å; E13-F15 VanDerWaalsContact C-N 3.25Å; E13-F15 PolarHBondContact O-N 3.36Å; F15-I17 VanDerWaalsContact C-N 3.26Å; F15-I17 PolarHBondContact O-N 3.1Å; F15-L18 PolarHBondContact O-N 3.39Å; F15-L19 HydrophobicContact CD1-CD1 3.61Å; F15-L19 HydrophobicContact CD1-CD2 4.32Å; F15-L19 HydrophobicContact CD1-CG 3.69Å; F15-L19 HydrophobicContact CE1-CD1 3.63Å; F15-L19 HydrophobicContact CE1-CD2 3.91Å; F15-L19 HydrophobicContact CE1-CG 3.76Å; F15-L19 WeakPolarHBondContact O-CB 3.38Å; F15-L19 WeakPolarHBondContact O-CG 3.42Å; F15-L19 PolarHBondContact O-N 2.98Å; F15-I44 HydrophobicContact CE2-CB 4.43Å; F15-I44 HydrophobicContact CE2-CD1 4.23Å; F15-I44 HydrophobicContact CE2-CG1 3.66Å; F15-I44 HydrophobicContact CZ-CB 4.21Å; F15-I44 HydrophobicContact CZ-CD1 3.69Å; F15-I44 HydrophobicContact CZ-CG1 3.51Å; F15-I44 HydrophobicContact CZ-CG2 4.08Å; F15-M60 HydrophobicContact CD1-CE 4.34Å; F15-M60 HydrophobicContact CD2-CE 4.14Å; F15-M60 HydrophobicContact CE1-CE 3.83Å; F15-M60 HydrophobicContact CE1-SD 3.66Å; F15-M60 HydrophobicContact CE2-CE 3.6Å; F15-M60 HydrophobicContact CE2-SD 4.21Å; F15-M60 HydrophobicContact CG-CE 4.47Å; F15-M60 HydrophobicContact CZ-CE 3.43Å; F15-M60 VanDerWaalsContact CZ-CE 3.43Å; F15-M60 HydrophobicContact CZ-SD 3.43Å; F15-M60 WeakPolarHBondContact CZ-SD 3.31Å
16K67.1Low57.7Low108 Ų10898 Ų9847%0.4754%0.538SS..Hα-helixtrans-59.6-38.5174-75.1170.7-178.5177.90112.1K12 E13 G20 L21K12-K16 VanDerWaalsContact O-CG 3.29Å; K12-K16 WeakPolarHBondContact O-CG 3.12Å; K12-K16 PolarHBondContact O-N 2.99Å; E13-K16 PolarHBondContact O-N 2.85Å; K16-G20 PolarHBondContact O-N 3.18Å; K16-L21 PolarHBondContact O-N 3.47Å
17I68.6Low57.1Low125 Ų125101.1 Ų101.164%0.64155%0.548SS*.Hα-helixtrans-66.7-46175.3-64.4164.3000110E13 K14 F15 L19 G20E13-I17 VanDerWaalsContact O-CG1 3.31Å; E13-I17 WeakPolarHBondContact O-CG1 3.45Å; E13-I17 PolarHBondContact O-N 3.42Å; E13-I17 VanDerWaalsContact O-N 3.09Å; K14-I17 PolarHBondContact O-N 3.41Å; F15-I17 VanDerWaalsContact C-N 3.26Å; F15-I17 PolarHBondContact O-N 3.1Å; I17-L19 VanDerWaalsContact C-N 3.34Å; I17-L19 PolarHBondContact O-N 3.46Å; I17-G20 PolarHBondContact O-N 3.36Å; I17-G20 VanDerWaalsContact O-N 3.1Å
18L66.4Low57.3Low90 Ų9096.1 Ų96.147%0.47154%0.536SS..Hα-helixtrans-62-38.9177.3-167.877.4000112.5K14 F15 G20 T41K14-L18 WeakPolarHBondContact O-CB 3.46Å; K14-L18 PolarHBondContact O-N 3.23Å; F15-L18 PolarHBondContact O-N 3.39Å; L18-G20 PolarHBondContact O-N 3.4Å; L18-T41 HydrophobicContact CD2-CG2 4.3Å
19L64.1Low56.7Low8 Ų8103.8 Ų103.84%0.04256%0.56CS.*THydrogen-bonded Turntrans-76.5-9.4177-66-170.8000113.4F15 I17 L21 F38 V67 K71F15-L19 HydrophobicContact CD1-CD1 3.61Å; F15-L19 HydrophobicContact CD1-CD2 4.32Å; F15-L19 HydrophobicContact CD1-CG 3.69Å; F15-L19 HydrophobicContact CE1-CD1 3.63Å; F15-L19 HydrophobicContact CE1-CD2 3.91Å; F15-L19 HydrophobicContact CE1-CG 3.76Å; F15-L19 WeakPolarHBondContact O-CB 3.38Å; F15-L19 WeakPolarHBondContact O-CG 3.42Å; F15-L19 PolarHBondContact O-N 2.98Å; I17-L19 VanDerWaalsContact C-N 3.34Å; I17-L19 PolarHBondContact O-N 3.46Å; L19-L21 VanDerWaalsContact C-N 3.3Å; L19-L21 HydrophobicContact CB-CD1 3.71Å; L19-L21 HydrophobicContact CD1-CD1 4.5Å; L19-L21 PolarHBondContact O-N 3.22Å; L19-F38 HydrophobicContact CD2-CE1 4.17Å; L19-F38 HydrophobicContact CD2-CE2 3.4Å; L19-F38 VanDerWaalsContact CD2-CE2 3.4Å; L19-F38 HydrophobicContact CD2-CZ 3.14Å; L19-V67 HydrophobicContact CB-CG2 4.5Å; L19-V67 HydrophobicContact CD1-CG2 3.75Å; L19-V67 HydrophobicContact CD2-CG2 3.62Å; L19-V67 HydrophobicContact CG-CG2 4.15Å; L19-K71 PolarHBondContact O-NZ 2.94Å
20G62.9Low55.8Low53 Ų53106 Ų10655%0.54658%0.576SS.*THydrogen-bonded Turntrans6629.2-176.800000113.7K16 I17 L18K16-G20 PolarHBondContact O-N 3.18Å; I17-G20 PolarHBondContact O-N 3.36Å; I17-G20 VanDerWaalsContact O-N 3.1Å; L18-G20 PolarHBondContact O-N 3.4Å
21L61.6Low54.4Low112 Ų112108.6 Ų108.659%0.58659%0.593SS**  trans-92.15.3175.3-92.884.9000113.1K16 L19K16-L21 PolarHBondContact O-N 3.47Å; L19-L21 VanDerWaalsContact C-N 3.3Å; L19-L21 HydrophobicContact CB-CD1 3.71Å; L19-L21 HydrophobicContact CD1-CD1 4.5Å; L19-L21 PolarHBondContact O-N 3.22Å
22G50.2Low53.3Low46 Ų46114.5 Ų114.547%0.47462%0.618SS.*SBendtrans-85.2152.3174.400000112.8
23T44.9Very low52.2Low141 Ų141115 Ų11587%0.86564%0.642SS**PPolyproline II helixtrans-46.5124.5-17747.50000112.4
24P43.3Very low50.9Low120 Ų120119.1 Ų119.178%0.77966%0.658SS**PPolyproline II helixtrans-77.6131-176.630.1-30.7000110.1
25R41.4Very low50Low237 Ų237118.3 Ų118.389%0.89466%0.657SS**PPolyproline II helixtrans-77.8127.8159.9-165.4176.3-169.3-166.72.5107.2N27R25-N27 PolarHBondContact O-N 3.06Å
26P43.9Very low49.3Very low122 Ų122123.8 Ų123.879%0.79269%0.691SS**PPolyproline II helixtrans-75.2125.8179.229.2-29.7000109.1
27N33.8Very low49.2Very low154 Ų154123.5 Ų123.582%0.82469%0.691SS**  trans-134.8127.9155.8-164.337.1000108.4R25R25-N27 PolarHBondContact O-N 3.06Å
28P53.8Low49.7Very low96 Ų96118.3 Ų118.362%0.62366%0.664SS**  trans-91.1154.9-173.237-32.1000111.2
29R43.7Very low50.5Low231 Ų231118.7 Ų118.787%0.87267%0.666SS**  trans80.4105.6164-54175.9178.1174.8-1.1116.5
30S35.5Very low51.4Low120 Ų120118.7 Ų118.784%0.83967%0.666SS**  179.6136.9105.6-74.60000112.4
31A34Very low52.5Low95 Ų95118.2 Ų118.279%0.78565%0.652SS**  trans62.899.4149.300000119.9
32E40Very low53.4Low204 Ų204116.8 Ų116.895%0.95366%0.657SS**SBend4.2122.3128-151.4161.8149.800116.7
33G39.3Very low55Low75 Ų75118 Ų11877%0.77365%0.65SS**  trans113.61.9148.800000120
34K40.4Very low57Low199 Ų199111.3 Ų111.387%0.86561%0.609SS**  trans-128.292.2171.8-76.3172.9179.7174.60110.3T36K34-T36 PolarHBondContact O-N 3.28Å
35Q48.6Very low59Low139 Ų139107.9 Ų107.965%0.6558%0.584SS**  trans-61.2112.3166.9-65.5-168.425.300107.2E37 K72Q35-E37 PolarHBondContact O-N 3.27Å; Q35-K72 VanDerWaalsContact OE1-CG 3.23Å
36T52.2Low61.2Low125 Ų125103 Ų10377%0.76757%0.565SS**  trans-56101.7179.1-30.20000109K34 F38K34-T36 PolarHBondContact O-N 3.28Å; T36-F38 PolarHBondContact O-N 3.45Å
37E65.6Low63.2Low102 Ų10299 Ų9948%0.47754%0.536SS..PPolyproline II helixtrans-62126.8173.8-65.8-172153.600108.2Q35 K72 R115Q35-E37 PolarHBondContact O-N 3.27Å; E37-K72 CarbonylContact C-O 3.58Å; E37-K72 WeakPolarHBondContact CA-O 3.46Å; E37-R115 IonicContact OE1-NH1 2.81Å
38F78.6Confident65.7Low15 Ų1591.7 Ų91.77%0.06650%0.497CS..BIsolated β-bridgetrans-79.9122175.5179.3-98.3000109L19 T36 I40 I44 V67 K71 K72 F73 E74L19-F38 HydrophobicContact CD2-CE1 4.17Å; L19-F38 HydrophobicContact CD2-CE2 3.4Å; L19-F38 VanDerWaalsContact CD2-CE2 3.4Å; L19-F38 HydrophobicContact CD2-CZ 3.14Å; T36-F38 PolarHBondContact O-N 3.45Å; F38-I40 HydrophobicContact CD1-CD1 3.94Å; F38-I40 HydrophobicContact CE1-CD1 3.57Å; F38-I40 HydrophobicContact CE1-CG1 4.47Å; F38-I44 HydrophobicContact CE1-CD1 4.09Å; F38-I44 HydrophobicContact CZ-CD1 3.82Å; F38-V67 HydrophobicContact CB-CG1 4.3Å; F38-V67 HydrophobicContact CD1-CG1 3.58Å; F38-V67 HydrophobicContact CD2-CG1 3.92Å; F38-V67 HydrophobicContact CE1-CG1 3.8Å; F38-V67 HydrophobicContact CE2-CG1 4.17Å; F38-V67 HydrophobicContact CG-CG1 3.63Å; F38-V67 HydrophobicContact CZ-CG1 4.13Å; F38-K71 HydrophobicContact CB-CB 3.94Å; F38-K71 HydrophobicContact CB-CD 4.18Å; F38-K71 HydrophobicContact CD2-CD 4.15Å; F38-K71 HydrophobicContact CG-CD 4.46Å; F38-K72 WeakPolarHBondContact CB-O 3.45Å; F38-K72 PolarHBondContact N-O 2.98Å; F38-F73 HydrophobicContact CB-CD1 4.2Å; F38-F73 AromaticContact CD1-CD1 3.83Å; F38-F73 HydrophobicContact CD1-CD1 3.83Å; F38-F73 AromaticContact CD1-CE1 3.74Å; F38-F73 HydrophobicContact CD1-CE1 3.74Å; F38-F73 HydrophobicContact CE1-CE1 4.44Å; F38-F73 HydrophobicContact CG-CD1 4.48Å; F38-E74 PolarHBondContact O-N 2.94Å
39I82.8Confident67.2Low98 Ų9888.7 Ų88.750%0.50348%0.478SS..PPolyproline II helixtrans-87.5124.8-178.9-60.8169.9000108.9T41 E74I39-T41 HydrophobicContact CG2-CG2 4.28Å; I39-T41 PolarHBondContact O-N 3.1Å; I39-T41 VanDerWaalsContact O-N 3.13Å; I39-E74 WeakPolarHBondContact CG2-OE1 2.83Å; I39-E74 WeakPolarHBondContact CG2-OE2 3.43Å
40I84.1Confident69.1Low9 Ų984.3 Ų84.35%0.04647%0.469CS..  trans-82.192.2173-62.8-70.5000107.2F38 I44 L45 F73 E74 A77 L81F38-I40 HydrophobicContact CD1-CD1 3.94Å; F38-I40 HydrophobicContact CE1-CD1 3.57Å; F38-I40 HydrophobicContact CE1-CG1 4.47Å; I40-I44 HydrophobicContact CG2-CB 4.32Å; I40-I44 HydrophobicContact CG2-CG2 4.37Å; I40-L45 HydrophobicContact CG2-CD1 4.42Å; I40-L45 HydrophobicContact CG2-CD2 3.68Å; I40-L45 HydrophobicContact CG2-CG 3.86Å; I40-F73 HydrophobicContact CD1-CE1 4.32Å; I40-F73 HydrophobicContact CD1-CZ 4.37Å; I40-E74 PolarHBondContact N-OE1 3.11Å; I40-A77 HydrophobicContact CB-CB 4.1Å; I40-A77 HydrophobicContact CG1-CB 3.52Å; I40-L81 HydrophobicContact CD1-CD1 3.95Å; I40-L81 HydrophobicContact CD1-CD2 4.24Å; I40-L81 HydrophobicContact CD1-CG 4.27Å; I40-L81 HydrophobicContact CG1-CD1 4.23Å; I40-L81 HydrophobicContact CG1-CG 4.35Å; I40-L81 HydrophobicContact CG2-CD2 4.17Å; I40-L81 HydrophobicContact CG2-CG 4.35Å
41T85.3Confident71.1Confident43 Ų4386.8 Ų86.826%0.26447%0.468SS..  trans-65.9155.4-176.772.50000111.7L18 I39 E43 I44 L45L18-T41 HydrophobicContact CD2-CG2 4.3Å; I39-T41 HydrophobicContact CG2-CG2 4.28Å; I39-T41 PolarHBondContact O-N 3.1Å; I39-T41 VanDerWaalsContact O-N 3.13Å; T41-E43 PolarHBondContact O-N 2.89Å; T41-E43 VanDerWaalsContact O-N 3.1Å; T41-I44 WeakPolarHBondContact O-CB 3.35Å; T41-I44 PolarHBondContact O-N 3.05Å; T41-I44 WeakPolarHBondContact OG1-CG1 3.32Å; T41-L45 PolarHBondContact O-N 3.04Å
42A80.6Confident73.6Confident82 Ų8284.1 Ų84.168%0.67844%0.442SS*.Hα-helixtrans-56.6-26.6176.300000113L45 R46A42-L45 PolarHBondContact O-N 2.96Å; A42-R46 WeakPolarHBondContact O-CB 3.44Å; A42-R46 PolarHBondContact O-N 3.32Å
43E84.3Confident76Confident71 Ų7176.6 Ų76.633%0.33242%0.42SS..Hα-helixtrans-66.3-42174.8-175.868.1169.400111.9T41 L45 R46 E47T41-E43 PolarHBondContact O-N 2.89Å; T41-E43 VanDerWaalsContact O-N 3.1Å; E43-L45 VanDerWaalsContact C-N 3.31Å; E43-L45 PolarHBondContact O-N 3.13Å; E43-R46 WeakPolarHBondContact O-CB 3.43Å; E43-R46 PolarHBondContact O-N 2.88Å; E43-R46 IonicContact OE1-CZ 3.72Å; E43-R46 IonicContact OE1-NE 4Å; E43-R46 IonicContact OE1-NH2 2.67Å; E43-R46 PolarHBondContact OE1-NH2 2.73Å; E43-R46 IonicContact OE2-CZ 3.25Å; E43-R46 VanDerWaalsContact OE2-CZ 3.25Å; E43-R46 IonicContact OE2-NE 2.78Å; E43-R46 PolarHBondContact OE2-NE 3.43Å; E43-R46 IonicContact OE2-NH2 2.9Å; E43-R46 PolarHBondContact OE2-NH2 3.47Å; E43-E47 PolarHBondContact O-N 2.56Å
44I85.8Confident78.5Confident0 Ų075.4 Ų75.40%040%0.395CS..Hα-helixtrans-60.4-45.6175.1-51.9-168.1000109.9F15 F38 I40 T41 R46 E47 L48 M60 I64F15-I44 HydrophobicContact CE2-CB 4.43Å; F15-I44 HydrophobicContact CE2-CD1 4.23Å; F15-I44 HydrophobicContact CE2-CG1 3.66Å; F15-I44 HydrophobicContact CZ-CB 4.21Å; F15-I44 HydrophobicContact CZ-CD1 3.69Å; F15-I44 HydrophobicContact CZ-CG1 3.51Å; F15-I44 HydrophobicContact CZ-CG2 4.08Å; F38-I44 HydrophobicContact CE1-CD1 4.09Å; F38-I44 HydrophobicContact CZ-CD1 3.82Å; I40-I44 HydrophobicContact CG2-CB 4.32Å; I40-I44 HydrophobicContact CG2-CG2 4.37Å; T41-I44 WeakPolarHBondContact O-CB 3.35Å; T41-I44 PolarHBondContact O-N 3.05Å; T41-I44 WeakPolarHBondContact OG1-CG1 3.32Å; I44-R46 VanDerWaalsContact C-N 3.31Å; I44-R46 PolarHBondContact O-N 3.05Å; I44-E47 PolarHBondContact O-N 3.3Å; I44-L48 HydrophobicContact CG2-CD1 4.41Å; I44-L48 WeakPolarHBondContact O-CG 2.88Å; I44-L48 PolarHBondContact O-N 3.44Å; I44-M60 HydrophobicContact CG2-SD 4.32Å; I44-I64 HydrophobicContact CG2-CD1 3.67Å; I44-I64 HydrophobicContact CG2-CG1 4.23Å
45L85.6Confident81Confident49 Ų4971.8 Ų71.826%0.25739%0.386SS..Hα-helixtrans-65.7-35.8178.9-62.9176.6000111.9I40 T41 A42 E43 L48 S49 A80 L81 A84I40-L45 HydrophobicContact CG2-CD1 4.42Å; I40-L45 HydrophobicContact CG2-CD2 3.68Å; I40-L45 HydrophobicContact CG2-CG 3.86Å; T41-L45 PolarHBondContact O-N 3.04Å; A42-L45 PolarHBondContact O-N 2.96Å; E43-L45 VanDerWaalsContact C-N 3.31Å; E43-L45 PolarHBondContact O-N 3.13Å; L45-L48 CarbonylContact O-C 3.54Å; L45-L48 PolarHBondContact O-N 2.72Å; L45-S49 PolarHBondContact O-N 3.31Å; L45-A80 HydrophobicContact CD1-CB 4.03Å; L45-A80 HydrophobicContact CD2-CB 4.13Å; L45-L81 HydrophobicContact CD2-CD2 4.45Å; L45-A84 HydrophobicContact CD2-CB 4.16Å
46R86.7Confident83.1Confident133 Ų13369.2 Ų69.250%0.50238%0.376SS..Hα-helixtrans-64.9-41.5175-169.517770.4860.3111.8A42 E43 I44 L48 S49A42-R46 WeakPolarHBondContact O-CB 3.44Å; A42-R46 PolarHBondContact O-N 3.32Å; E43-R46 WeakPolarHBondContact O-CB 3.43Å; E43-R46 PolarHBondContact O-N 2.88Å; E43-R46 IonicContact OE1-CZ 3.72Å; E43-R46 IonicContact OE1-NE 4Å; E43-R46 IonicContact OE1-NH2 2.67Å; E43-R46 PolarHBondContact OE1-NH2 2.73Å; E43-R46 IonicContact OE2-CZ 3.25Å; E43-R46 VanDerWaalsContact OE2-CZ 3.25Å; E43-R46 IonicContact OE2-NE 2.78Å; E43-R46 PolarHBondContact OE2-NE 3.43Å; E43-R46 IonicContact OE2-NH2 2.9Å; E43-R46 PolarHBondContact OE2-NH2 3.47Å; I44-R46 VanDerWaalsContact C-N 3.31Å; I44-R46 PolarHBondContact O-N 3.05Å; R46-L48 VanDerWaalsContact C-N 3.27Å; R46-L48 PolarHBondContact O-N 2.83Å; R46-S49 WeakPolarHBondContact O-CB 3.29Å; R46-S49 PolarHBondContact O-N 3.36Å; R46-S49 VanDerWaalsContact O-N 3.13Å
47E86.3Confident85.1Confident40 Ų4063.5 Ų63.519%0.18734%0.341CS..Hα-helixtrans-69.2-25.9175.2-71.8-170.1-14100113.2L11 E43 I44 S49 C52 M60L11-E47 WeakPolarHBondContact CD2-OE1 3.33Å; E43-E47 PolarHBondContact O-N 2.56Å; I44-E47 PolarHBondContact O-N 3.3Å; E47-S49 VanDerWaalsContact C-N 3.34Å; E47-C52 WeakPolarHBondContact O-CB 3.42Å; E47-M60 HydrophobicContact CB-CE 3.95Å; E47-M60 HydrophobicContact CB-CG 4.49Å; E47-M60 HydrophobicContact CG-CE 4.36Å; E47-M60 WeakPolarHBondContact OE2-CE 3.27Å
48L87.6Confident86.4Confident0 Ų060.4 Ų60.40%033%0.327CS..THydrogen-bonded Turntrans-82-8.6171.2-74.8177.2000114I44 L45 R46 R57 M60 I61 I64 L81 A84 V85I44-L48 HydrophobicContact CG2-CD1 4.41Å; I44-L48 WeakPolarHBondContact O-CG 2.88Å; I44-L48 PolarHBondContact O-N 3.44Å; L45-L48 CarbonylContact O-C 3.54Å; L45-L48 PolarHBondContact O-N 2.72Å; R46-L48 VanDerWaalsContact C-N 3.27Å; R46-L48 PolarHBondContact O-N 2.83Å; L48-R57 VanDerWaalsContact O-CZ 3.24Å; L48-R57 PolarHBondContact O-NE 3.49Å; L48-R57 PolarHBondContact O-NH2 3.49Å; L48-M60 HydrophobicContact CD2-CB 4.02Å; L48-M60 HydrophobicContact CD2-CG 3.68Å; L48-M60 HydrophobicContact CG-CG 3.89Å; L48-I61 HydrophobicContact CD2-CD1 4.47Å; L48-I61 HydrophobicContact CD2-CG1 3.68Å; L48-I64 HydrophobicContact CD1-CD1 3.61Å; L48-I64 HydrophobicContact CD2-CD1 4.2Å; L48-I64 HydrophobicContact CG-CD1 4.13Å; L48-L81 HydrophobicContact CD1-CD2 3.57Å; L48-A84 HydrophobicContact CB-CB 4.02Å; L48-A84 HydrophobicContact CD1-CB 4.25Å; L48-V85 HydrophobicContact CD1-CG1 4.19Å; L48-V85 HydrophobicContact CD2-CG1 4.04Å
49S85.4Confident87.2Confident32 Ų3266.5 Ų66.522%0.22435%0.35CS..SBendtrans-63.6155.6-177-176.70000112.2L45 R46 E47 E51 C52 R57L45-S49 PolarHBondContact O-N 3.31Å; R46-S49 WeakPolarHBondContact O-CB 3.29Å; R46-S49 PolarHBondContact O-N 3.36Å; R46-S49 VanDerWaalsContact O-N 3.13Å; E47-S49 VanDerWaalsContact C-N 3.34Å; S49-E51 PolarHBondContact O-N 2.97Å; S49-E51 VanDerWaalsContact O-N 3.16Å; S49-E51 PolarHBondContact OG-N 3.03Å; S49-C52 WeakPolarHBondContact O-CB 3.38Å; S49-C52 PolarHBondContact O-N 2.92Å; S49-R57 VanDerWaalsContact O-CD 3.23Å; S49-R57 WeakPolarHBondContact O-CD 3.44Å; S49-R57 PolarHBondContact O-NE 3.23Å
50M81.8Confident87.6Confident140 Ų14062 Ų6269%0.6933%0.327SS*.THydrogen-bonded Turntrans-61.9-17.3173.36317863.900113.9C52M50-C52 PolarHBondContact O-N 3.19Å
51E79.5Confident88.1Confident172 Ų17261.7 Ų61.780%0.80433%0.325SS*.THydrogen-bonded Turntrans-68.8-21.3172.8-62.9177.7175.200112.4S49S49-E51 PolarHBondContact O-N 2.97Å; S49-E51 VanDerWaalsContact O-N 3.16Å; S49-E51 PolarHBondContact OG-N 3.03Å
52C85.6Confident88.5Confident38 Ų3861.3 Ų61.326%0.25733%0.33SS..SBendtrans-88.8142.1175.9-75.60000111.2E47 S49 M50 R57E47-C52 WeakPolarHBondContact O-CB 3.42Å; S49-C52 WeakPolarHBondContact O-CB 3.38Å; S49-C52 PolarHBondContact O-N 2.92Å; M50-C52 PolarHBondContact O-N 3.19Å; C52-R57 HydrophobicContact CB-CG 4.05Å; C52-R57 WeakPolarHBondContact O-CD 3.5Å
53G90.3Very high89Confident46 Ų4660 Ų6047%0.47431%0.31SS..  trans-57143.3177.600000112.5N55 N56 R57G53-N55 VanDerWaalsContact C-N 3.28Å; G53-N55 PolarHBondContact O-N 3.03Å; G53-N55 VanDerWaalsContact O-N 3.14Å; G53-N56 WeakPolarHBondContact O-CB 3.23Å; G53-N56 PolarHBondContact O-N 3.26Å; G53-R57 PolarHBondContact O-N 3.37Å
54L92Very high89.3Confident50 Ų5056.7 Ų56.726%0.26229%0.294SS..Hα-helixtrans-51.2-43.4-173.6-174.665.7000113.8N56 R57 I58 L88 P94 A97L54-N56 VanDerWaalsContact C-N 3.29Å; L54-N56 PolarHBondContact O-N 3.17Å; L54-R57 PolarHBondContact O-N 2.95Å; L54-I58 HydrophobicContact CG-CD1 4.04Å; L54-I58 WeakPolarHBondContact O-CG1 3.45Å; L54-I58 PolarHBondContact O-N 3.37Å; L54-L88 HydrophobicContact CD1-CD2 3.35Å; L54-P94 HydrophobicContact CD2-CG 3.35Å; L54-A97 HydrophobicContact CD1-CB 3.86Å; L54-A97 HydrophobicContact CD2-CB 4.43Å; L54-A97 HydrophobicContact CG-CB 4.43Å
55N92.8Very high89.5Confident124 Ų12457.2 Ų57.266%0.66330%0.297SS*.Hα-helixtrans-63.9-33.2179.2-71.1-43.1000113.1G53 R59G53-N55 VanDerWaalsContact C-N 3.28Å; G53-N55 PolarHBondContact O-N 3.03Å; G53-N55 VanDerWaalsContact O-N 3.14Å; N55-R59 WeakPolarHBondContact O-CB 3.3Å; N55-R59 PolarHBondContact O-N 3.49Å; N55-R59 VanDerWaalsContact O-N 3.08Å
56N92.1Very high89.8Confident84 Ų8459.3 Ų59.345%0.44931%0.306SS..Hα-helixtrans-70.3-44176.6-66.1-7.5000109.9G53 L54 I58 R59 M60G53-N56 WeakPolarHBondContact O-CB 3.23Å; G53-N56 PolarHBondContact O-N 3.26Å; L54-N56 VanDerWaalsContact C-N 3.29Å; L54-N56 PolarHBondContact O-N 3.17Å; N56-I58 PolarHBondContact O-N 2.74Å; N56-R59 PolarHBondContact O-N 3.01Å; N56-M60 WeakPolarHBondContact O-CB 3.33Å; N56-M60 PolarHBondContact O-N 2.99Å
57R94.3Very high89.9Confident5 Ų553 Ų532%0.01928%0.283CS..Hα-helixtrans-59.3-46.2175.9-58.8177.271.5-164.8-1111.2L48 S49 C52 G53 L54 R59 M60 I61 A84 D87 L88L48-R57 VanDerWaalsContact O-CZ 3.24Å; L48-R57 PolarHBondContact O-NE 3.49Å; L48-R57 PolarHBondContact O-NH2 3.49Å; S49-R57 VanDerWaalsContact O-CD 3.23Å; S49-R57 WeakPolarHBondContact O-CD 3.44Å; S49-R57 PolarHBondContact O-NE 3.23Å; C52-R57 HydrophobicContact CB-CG 4.05Å; C52-R57 WeakPolarHBondContact O-CD 3.5Å; G53-R57 PolarHBondContact O-N 3.37Å; L54-R57 PolarHBondContact O-N 2.95Å; R57-R59 PolarHBondContact O-N 3.37Å; R57-M60 PolarHBondContact O-N 3.02Å; R57-I61 WeakPolarHBondContact O-CB 3.42Å; R57-I61 WeakPolarHBondContact O-CD1 3.36Å; R57-I61 WeakPolarHBondContact O-CG1 3.37Å; R57-I61 PolarHBondContact O-N 3.47Å; R57-A84 PolarHBondContact NH2-O 3.07Å; R57-D87 IonicContact CZ-OD1 3.85Å; R57-D87 IonicContact CZ-OD2 3.36Å; R57-D87 IonicContact NH1-OD1 2.97Å; R57-D87 PolarHBondContact NH1-OD1 3.31Å; R57-D87 IonicContact NH1-OD2 2.69Å; R57-D87 PolarHBondContact NH1-OD2 3.37Å; R57-D87 IonicContact NH2-OD1 2.71Å; R57-D87 PolarHBondContact NH2-OD1 2.96Å; R57-D87 IonicContact NH2-OD2 3.44Å; R57-L88 HydrophobicContact CB-CD1 4.37Å; R57-L88 VanDerWaalsContact NH1-CD2 3.27Å
58I94.1Very high89.9Confident38 Ų3851.1 Ų51.120%0.19527%0.274CS..Hα-helixtrans-59.1-45.1176.4-69.6169.3000111.6L54 N56 I61 G62 E96 A97 A100L54-I58 HydrophobicContact CG-CD1 4.04Å; L54-I58 WeakPolarHBondContact O-CG1 3.45Å; L54-I58 PolarHBondContact O-N 3.37Å; N56-I58 PolarHBondContact O-N 2.74Å; I58-I61 PolarHBondContact O-N 3.16Å; I58-G62 PolarHBondContact O-N 3.44Å; I58-E96 HydrophobicContact CD1-CB 4.29Å; I58-A97 HydrophobicContact CD1-CB 3.98Å; I58-A97 HydrophobicContact CG1-CB 4.26Å; I58-A100 HydrophobicContact CG1-CB 4.39Å; I58-A100 HydrophobicContact CG2-CB 4.07Å
59R93.8Very high89.6Confident143 Ų14356 Ų5654%0.5430%0.295SS..Hα-helixtrans-62.5-46177.7-174-171.7-57.7-80-1.9111.4N55 N56 R57 I61 G62 Q63N55-R59 WeakPolarHBondContact O-CB 3.3Å; N55-R59 PolarHBondContact O-N 3.49Å; N55-R59 VanDerWaalsContact O-N 3.08Å; N56-R59 PolarHBondContact O-N 3.01Å; R57-R59 PolarHBondContact O-N 3.37Å; R59-I61 VanDerWaalsContact C-N 3.35Å; R59-G62 PolarHBondContact O-N 2.91Å; R59-G62 VanDerWaalsContact O-N 3.14Å; R59-Q63 PolarHBondContact O-N 3.17Å; R59-Q63 VanDerWaalsContact O-N 3.1Å
60M92.4Very high89.3Confident4 Ų459.5 Ų59.52%0.0232%0.315CS..Hα-helixtrans-61.8-43.7179179.552.274.900111.3F15 I44 E47 L48 N56 R57 G62 Q63 I64F15-M60 HydrophobicContact CD1-CE 4.34Å; F15-M60 HydrophobicContact CD2-CE 4.14Å; F15-M60 HydrophobicContact CE1-CE 3.83Å; F15-M60 HydrophobicContact CE1-SD 3.66Å; F15-M60 HydrophobicContact CE2-CE 3.6Å; F15-M60 HydrophobicContact CE2-SD 4.21Å; F15-M60 HydrophobicContact CG-CE 4.47Å; F15-M60 HydrophobicContact CZ-CE 3.43Å; F15-M60 VanDerWaalsContact CZ-CE 3.43Å; F15-M60 HydrophobicContact CZ-SD 3.43Å; F15-M60 WeakPolarHBondContact CZ-SD 3.31Å; I44-M60 HydrophobicContact CG2-SD 4.32Å; E47-M60 HydrophobicContact CB-CE 3.95Å; E47-M60 HydrophobicContact CB-CG 4.49Å; E47-M60 HydrophobicContact CG-CE 4.36Å; E47-M60 WeakPolarHBondContact OE2-CE 3.27Å; L48-M60 HydrophobicContact CD2-CB 4.02Å; L48-M60 HydrophobicContact CD2-CG 3.68Å; L48-M60 HydrophobicContact CG-CG 3.89Å; N56-M60 WeakPolarHBondContact O-CB 3.33Å; N56-M60 PolarHBondContact O-N 2.99Å; R57-M60 PolarHBondContact O-N 3.02Å; M60-G62 VanDerWaalsContact C-N 3.28Å; M60-G62 PolarHBondContact O-N 2.79Å; M60-Q63 WeakPolarHBondContact O-CB 3.45Å; M60-Q63 PolarHBondContact O-N 3.13Å; M60-I64 HydrophobicContact CG-CD1 3.93Å; M60-I64 WeakPolarHBondContact O-CG1 3.3Å; M60-I64 PolarHBondContact O-N 2.76Å; M60-I64 HydrophobicContact SD-CD1 4.14Å; M60-I64 HydrophobicContact SD-CG1 4.2Å
61I94.4Very high89.3Confident1 Ų156.1 Ų56.11%0.00530%0.296CS..Hα-helixtrans-54.6-46.5172.9-71.6166.1000110.8L48 R57 I58 R59 Q63 I64 C65 V85 L88 A100 V101 L104L48-I61 HydrophobicContact CD2-CD1 4.47Å; L48-I61 HydrophobicContact CD2-CG1 3.68Å; R57-I61 WeakPolarHBondContact O-CB 3.42Å; R57-I61 WeakPolarHBondContact O-CD1 3.36Å; R57-I61 WeakPolarHBondContact O-CG1 3.37Å; R57-I61 PolarHBondContact O-N 3.47Å; I58-I61 PolarHBondContact O-N 3.16Å; R59-I61 VanDerWaalsContact C-N 3.35Å; I61-Q63 VanDerWaalsContact C-N 3.28Å; I61-Q63 PolarHBondContact O-N 3.25Å; I61-I64 PolarHBondContact O-N 2.9Å; I61-C65 PolarHBondContact O-N 3.03Å; I61-C65 PolarHBondContact O-SG 3.03Å; I61-V85 HydrophobicContact CD1-CB 4.42Å; I61-V85 HydrophobicContact CD1-CG1 4.04Å; I61-V85 HydrophobicContact CG1-CG1 4.11Å; I61-L88 HydrophobicContact CD1-CD1 3.5Å; I61-L88 VanDerWaalsContact CD1-CD1 3.5Å; I61-A100 HydrophobicContact CB-CB 4.4Å; I61-A100 HydrophobicContact CD1-CB 4.4Å; I61-A100 HydrophobicContact CG2-CB 3.94Å; I61-A100 WeakPolarHBondContact CG2-O 3.38Å; I61-V101 HydrophobicContact CD1-CG2 4.08Å; I61-L104 HydrophobicContact CG2-CB 3.8Å; I61-L104 HydrophobicContact CG2-CD2 4.21Å
62G93.8Very high89.4Confident36 Ų3649.8 Ų49.837%0.37127%0.266SS..Hα-helixtrans-58.2-37.6176.100000113.4I58 R59 M60 C65I58-G62 PolarHBondContact O-N 3.44Å; R59-G62 PolarHBondContact O-N 2.91Å; R59-G62 VanDerWaalsContact O-N 3.14Å; M60-G62 VanDerWaalsContact C-N 3.28Å; M60-G62 PolarHBondContact O-N 2.79Å; G62-C65 WeakPolarHBondContact O-CB 3.43Å; G62-C65 PolarHBondContact O-N 2.72Å
63Q90.5Very high89.3Confident54 Ų5448 Ų4825%0.25225%0.254SS..Hα-helixtrans-69.2-41.9176.5-64.7175.2-78.300111.8R59 M60 I61 C65 E66 V67R59-Q63 PolarHBondContact O-N 3.17Å; R59-Q63 VanDerWaalsContact O-N 3.1Å; M60-Q63 WeakPolarHBondContact O-CB 3.45Å; M60-Q63 PolarHBondContact O-N 3.13Å; I61-Q63 VanDerWaalsContact C-N 3.28Å; I61-Q63 PolarHBondContact O-N 3.25Å; Q63-C65 VanDerWaalsContact C-N 3.27Å; Q63-C65 PolarHBondContact O-N 3.14Å; Q63-E66 PolarHBondContact O-N 2.92Å; Q63-V67 PolarHBondContact O-N 3.35Å
64I91.1Very high89Confident2 Ų248.4 Ų48.41%0.0124%0.244CC..Hα-helixtrans-65.5-33.1178.1-61.9164.4000110.8I44 L48 M60 I61 E66 V67 A68 F73 L81 L104I44-I64 HydrophobicContact CG2-CD1 3.67Å; I44-I64 HydrophobicContact CG2-CG1 4.23Å; L48-I64 HydrophobicContact CD1-CD1 3.61Å; L48-I64 HydrophobicContact CD2-CD1 4.2Å; L48-I64 HydrophobicContact CG-CD1 4.13Å; M60-I64 HydrophobicContact CG-CD1 3.93Å; M60-I64 WeakPolarHBondContact O-CG1 3.3Å; M60-I64 PolarHBondContact O-N 2.76Å; M60-I64 HydrophobicContact SD-CD1 4.14Å; M60-I64 HydrophobicContact SD-CG1 4.2Å; I61-I64 PolarHBondContact O-N 2.9Å; I64-E66 VanDerWaalsContact C-N 3.3Å; I64-E66 PolarHBondContact O-N 3.34Å; I64-V67 PolarHBondContact O-N 3.21Å; I64-A68 WeakPolarHBondContact O-CB 3.33Å; I64-A68 PolarHBondContact O-N 3.23Å; I64-F73 HydrophobicContact CG2-CZ 3.99Å; I64-L81 HydrophobicContact CD1-CD2 3.89Å; I64-L81 HydrophobicContact CG2-CD1 3.94Å; I64-L81 HydrophobicContact CG2-CD2 4.22Å; I64-L104 HydrophobicContact CB-CD1 4.13Å; I64-L104 HydrophobicContact CG2-CD1 3.63Å
65C90.6Very high88.2Confident10 Ų1052.4 Ų52.47%0.06826%0.261CS..Hα-helixtrans-55.5-43.2172.2-68.20000112.5I61 G62 Q63 V67 A68 K69 L104 A107I61-C65 PolarHBondContact O-N 3.03Å; I61-C65 PolarHBondContact O-SG 3.03Å; G62-C65 WeakPolarHBondContact O-CB 3.43Å; G62-C65 PolarHBondContact O-N 2.72Å; Q63-C65 VanDerWaalsContact C-N 3.27Å; Q63-C65 PolarHBondContact O-N 3.14Å; C65-V67 VanDerWaalsContact C-N 3.34Å; C65-A68 PolarHBondContact O-N 2.98Å; C65-K69 WeakPolarHBondContact O-CG 3.44Å; C65-K69 PolarHBondContact O-N 3.19Å; C65-L104 WeakPolarHBondContact SG-CA 3.32Å; C65-A107 HydrophobicContact CB-CB 4.04Å
66E90.1Very high87.7Confident94 Ų9452 Ų5244%0.43926%0.255SS..Hα-helixtrans-68.4-35.6179.8-61.9-48.4120.800112Q63 I64 K69 T70Q63-E66 PolarHBondContact O-N 2.92Å; I64-E66 VanDerWaalsContact C-N 3.3Å; I64-E66 PolarHBondContact O-N 3.34Å; E66-K69 IonicContact OE1-NZ 3.7Å; E66-K69 PolarHBondContact OE1-NZ 2.87Å; E66-K69 IonicContact OE2-NZ 2.85Å; E66-K69 PolarHBondContact OE2-NZ 3.29Å; E66-T70 PolarHBondContact O-OG1 2.96Å
67V88.7Confident87.4Confident1 Ų148.1 Ų48.11%0.00623%0.234CC..Hα-helixtrans-68.6-44.2174.8-171.90000110.7L19 F38 Q63 I64 C65 K69 T70 K71 F73L19-V67 HydrophobicContact CB-CG2 4.5Å; L19-V67 HydrophobicContact CD1-CG2 3.75Å; L19-V67 HydrophobicContact CD2-CG2 3.62Å; L19-V67 HydrophobicContact CG-CG2 4.15Å; F38-V67 HydrophobicContact CB-CG1 4.3Å; F38-V67 HydrophobicContact CD1-CG1 3.58Å; F38-V67 HydrophobicContact CD2-CG1 3.92Å; F38-V67 HydrophobicContact CE1-CG1 3.8Å; F38-V67 HydrophobicContact CE2-CG1 4.17Å; F38-V67 HydrophobicContact CG-CG1 3.63Å; F38-V67 HydrophobicContact CZ-CG1 4.13Å; Q63-V67 PolarHBondContact O-N 3.35Å; I64-V67 PolarHBondContact O-N 3.21Å; C65-V67 VanDerWaalsContact C-N 3.34Å; V67-K69 PolarHBondContact O-N 3.17Å; V67-K69 VanDerWaalsContact O-N 3.16Å; V67-T70 PolarHBondContact O-N 3.4Å; V67-T70 PolarHBondContact O-OG1 3.01Å; V67-K71 HydrophobicContact CG1-CB 4.16Å; V67-K71 HydrophobicContact CG1-CD 4.24Å; V67-K71 HydrophobicContact CG1-CG 4.36Å; V67-K71 PolarHBondContact O-N 3.16Å; V67-F73 HydrophobicContact CB-CE1 4.4Å; V67-F73 HydrophobicContact CG1-CE1 3.97Å
68A86.6Confident86.9Confident0 Ų049.2 Ų49.20%024%0.242CC..Hα-helixtrans-59.3-29.3-178.800000113I64 C65 F73 A107 I108 G111 Q112I64-A68 WeakPolarHBondContact O-CB 3.33Å; I64-A68 PolarHBondContact O-N 3.23Å; C65-A68 PolarHBondContact O-N 2.98Å; A68-F73 HydrophobicContact CB-CE1 4.38Å; A68-F73 HydrophobicContact CB-CE2 4.01Å; A68-F73 HydrophobicContact CB-CZ 3.59Å; A68-A107 HydrophobicContact CB-CB 4.12Å; A68-I108 HydrophobicContact CB-CG1 4Å; A68-G111 WeakPolarHBondContact O-CA 3.35Å; A68-Q112 PolarHBondContact O-NE2 2.89Å
69K82.8Confident86.4Confident102 Ų10252.6 Ų52.644%0.44326%0.257SS..Hα-helixtrans-76.1-26.8176.9-69.1167.4-172.2169.80113.6C65 E66 V67 A107C65-K69 WeakPolarHBondContact O-CG 3.44Å; C65-K69 PolarHBondContact O-N 3.19Å; E66-K69 IonicContact OE1-NZ 3.7Å; E66-K69 PolarHBondContact OE1-NZ 2.87Å; E66-K69 IonicContact OE2-NZ 2.85Å; E66-K69 PolarHBondContact OE2-NZ 3.29Å; V67-K69 PolarHBondContact O-N 3.17Å; V67-K69 VanDerWaalsContact O-N 3.16Å; K69-A107 HydrophobicContact CG-CB 4.24Å
70T78.6Confident86.2Confident105 Ų10547.2 Ų47.264%0.64424%0.243SC*.Hα-helixtrans-115.8-24.2-165.653.60000113.8E66 V67E66-T70 PolarHBondContact O-OG1 2.96Å; V67-T70 PolarHBondContact O-N 3.4Å; V67-T70 PolarHBondContact O-OG1 3.01Å
71K82.3Confident86Confident70 Ų7047.1 Ų47.130%0.30424%0.242SC..SBendtrans-127.5147.8-177.7-57.6-167.3-177.4179.80111L19 F38 V67 Q112L19-K71 PolarHBondContact O-NZ 2.94Å; F38-K71 HydrophobicContact CB-CB 3.94Å; F38-K71 HydrophobicContact CB-CD 4.18Å; F38-K71 HydrophobicContact CD2-CD 4.15Å; F38-K71 HydrophobicContact CG-CD 4.46Å; V67-K71 HydrophobicContact CG1-CB 4.16Å; V67-K71 HydrophobicContact CG1-CD 4.24Å; V67-K71 HydrophobicContact CG1-CG 4.36Å; V67-K71 PolarHBondContact O-N 3.16Å; K71-Q112 PolarHBondContact O-NE2 3.2Å
72K80.4Confident85.7Confident38 Ų3852.6 Ų52.617%0.16526%0.263CS..PPolyproline II helixtrans-76140.6170.4-63.9-63.3-174.5176.60109.5Q35 E37 F38 G111 Q112 E114Q35-K72 VanDerWaalsContact OE1-CG 3.23Å; E37-K72 CarbonylContact C-O 3.58Å; E37-K72 WeakPolarHBondContact CA-O 3.46Å; F38-K72 WeakPolarHBondContact CB-O 3.45Å; F38-K72 PolarHBondContact N-O 2.98Å; K72-G111 PolarHBondContact NZ-O 3.4Å; K72-G111 VanDerWaalsContact NZ-O 3.12Å; K72-Q112 VanDerWaalsContact CA-OE1 3.31Å; K72-E114 IonicContact NZ-OE2 3.73Å; K72-E114 PolarHBondContact NZ-OE2 3.49Å
73F84.2Confident85.5Confident2 Ų258.8 Ų58.81%0.00928%0.28CS..BIsolated β-bridgetrans-85.7152.5174.1-68.8-19.1000111.5F38 I40 I64 V67 A68 A77 V78 L81 I108 Q112 R115F38-F73 HydrophobicContact CB-CD1 4.2Å; F38-F73 AromaticContact CD1-CD1 3.83Å; F38-F73 HydrophobicContact CD1-CD1 3.83Å; F38-F73 AromaticContact CD1-CE1 3.74Å; F38-F73 HydrophobicContact CD1-CE1 3.74Å; F38-F73 HydrophobicContact CE1-CE1 4.44Å; F38-F73 HydrophobicContact CG-CD1 4.48Å; I40-F73 HydrophobicContact CD1-CE1 4.32Å; I40-F73 HydrophobicContact CD1-CZ 4.37Å; I64-F73 HydrophobicContact CG2-CZ 3.99Å; V67-F73 HydrophobicContact CB-CE1 4.4Å; V67-F73 HydrophobicContact CG1-CE1 3.97Å; A68-F73 HydrophobicContact CB-CE1 4.38Å; A68-F73 HydrophobicContact CB-CE2 4.01Å; A68-F73 HydrophobicContact CB-CZ 3.59Å; F73-A77 HydrophobicContact CB-CB 3.82Å; F73-A77 HydrophobicContact CG-CB 4.36Å; F73-V78 HydrophobicContact CD2-CG2 4Å; F73-L81 HydrophobicContact CD2-CD1 4.21Å; F73-L81 HydrophobicContact CE2-CD1 3.6Å; F73-L81 HydrophobicContact CZ-CD1 4.19Å; F73-I108 HydrophobicContact CE2-CD1 4.29Å; F73-I108 HydrophobicContact CE2-CG1 3.99Å; F73-Q112 HydrophobicContact CD2-CG 4.49Å; F73-R115 PolarHBondContact O-NH1 3.19Å
74E84.5Confident85.4Confident54 Ų5457 Ų5725%0.25228%0.275SS..PPolyproline II helixtrans-61170.1169.465.3179.5162.200112.5F38 I39 I40 A77F38-E74 PolarHBondContact O-N 2.94Å; I39-E74 WeakPolarHBondContact CG2-OE1 2.83Å; I39-E74 WeakPolarHBondContact CG2-OE2 3.43Å; I40-E74 PolarHBondContact N-OE1 3.11Å; E74-A77 HydrophobicContact CG-CB 3.62Å; E74-A77 WeakPolarHBondContact O-CB 3.23Å; E74-A77 PolarHBondContact O-N 3.36Å
75E75.1Confident85.5Confident133 Ų13357 Ų5762%0.62127%0.274SS*.THydrogen-bonded Turntrans-59.1141.5171.2-157.6171.1-164.100111.6A77E75-A77 PolarHBondContact O-N 2.85Å
76H81.3Confident85.3Confident116 Ų11657.9 Ų57.954%0.53728%0.282SS..THydrogen-bonded Turntrans62.8-8.2-175.9-52.8-69.5000118.2V78 E79 A80H76-V78 VanDerWaalsContact C-N 3.29Å; H76-V78 PolarHBondContact O-N 2.81Å; H76-E79 IonicContact CE1-OE2 3.98Å; H76-E79 IonicContact CG-OE2 3.68Å; H76-E79 IonicContact ND1-OE2 3.47Å; H76-E79 PolarHBondContact ND1-OE2 3.38Å; H76-E79 WeakPolarHBondContact O-CB 3.09Å; H76-E79 PolarHBondContact O-N 3.02Å; H76-A80 PolarHBondContact O-N 2.95Å
77A85.8Confident85.3Confident2 Ų254.9 Ų54.92%0.01727%0.269CS..Hα-helixtrans-55.4-41178.900000113.7I40 F73 E74 E75 E79 A80 L81I40-A77 HydrophobicContact CB-CB 4.1Å; I40-A77 HydrophobicContact CG1-CB 3.52Å; F73-A77 HydrophobicContact CB-CB 3.82Å; F73-A77 HydrophobicContact CG-CB 4.36Å; E74-A77 HydrophobicContact CG-CB 3.62Å; E74-A77 WeakPolarHBondContact O-CB 3.23Å; E74-A77 PolarHBondContact O-N 3.36Å; E75-A77 PolarHBondContact O-N 2.85Å; A77-E79 VanDerWaalsContact C-N 3.33Å; A77-E79 PolarHBondContact O-N 3.12Å; A77-A80 PolarHBondContact O-N 3.45Å; A77-L81 WeakPolarHBondContact O-CB 3.34Å; A77-L81 VanDerWaalsContact O-CG 3.3Å; A77-L81 WeakPolarHBondContact O-CG 3.49Å; A77-L81 PolarHBondContact O-N 2.88Å
78V84.8Confident85.3Confident29 Ų2954.8 Ų54.818%0.17627%0.269CS..Hα-helixtrans-64.2-39.3177.3178.10000111.3F73 H76 W82 I108 L119F73-V78 HydrophobicContact CD2-CG2 4Å; H76-V78 VanDerWaalsContact C-N 3.29Å; H76-V78 PolarHBondContact O-N 2.81Å; V78-W82 WeakPolarHBondContact O-CB 3.19Å; V78-W82 PolarHBondContact O-N 2.69Å; V78-I108 HydrophobicContact CG1-CG2 4.14Å; V78-I108 HydrophobicContact CG2-CG2 3.83Å; V78-L119 HydrophobicContact CG1-CD1 4.44Å
79E83.9Confident85.4Confident109 Ų10957.3 Ų57.351%0.50928%0.282SS..Hα-helixtrans-67.6-42.2177.8-60.6179.9163.700111.2H76 A77 W82 K83H76-E79 IonicContact CE1-OE2 3.98Å; H76-E79 IonicContact CG-OE2 3.68Å; H76-E79 IonicContact ND1-OE2 3.47Å; H76-E79 PolarHBondContact ND1-OE2 3.38Å; H76-E79 WeakPolarHBondContact O-CB 3.09Å; H76-E79 PolarHBondContact O-N 3.02Å; A77-E79 VanDerWaalsContact C-N 3.33Å; A77-E79 PolarHBondContact O-N 3.12Å; E79-W82 PolarHBondContact O-N 2.97Å; E79-K83 WeakPolarHBondContact O-CG 3.46Å; E79-K83 PolarHBondContact O-N 2.91Å
80A87.6Confident85.5Confident30 Ų3057.2 Ų57.225%0.24828%0.283CS..Hα-helixtrans-63.2-45.1176.300000111.6L45 H76 A77 W82 K83 A84L45-A80 HydrophobicContact CD1-CB 4.03Å; L45-A80 HydrophobicContact CD2-CB 4.13Å; H76-A80 PolarHBondContact O-N 2.95Å; A77-A80 PolarHBondContact O-N 3.45Å; A80-W82 PolarHBondContact O-N 3.44Å; A80-K83 PolarHBondContact O-N 3.28Å; A80-A84 WeakPolarHBondContact O-CB 3.4Å; A80-A84 PolarHBondContact O-N 3.12Å
81L89.8Confident85.5Confident2 Ų256.4 Ų56.41%0.0128%0.28CS..Hα-helixtrans-59.9-45.5174.6-75.6173.5000111.6I40 L45 L48 I64 F73 A77 K83 A84 V85 I108I40-L81 HydrophobicContact CD1-CD1 3.95Å; I40-L81 HydrophobicContact CD1-CD2 4.24Å; I40-L81 HydrophobicContact CD1-CG 4.27Å; I40-L81 HydrophobicContact CG1-CD1 4.23Å; I40-L81 HydrophobicContact CG1-CG 4.35Å; I40-L81 HydrophobicContact CG2-CD2 4.17Å; I40-L81 HydrophobicContact CG2-CG 4.35Å; L45-L81 HydrophobicContact CD2-CD2 4.45Å; L48-L81 HydrophobicContact CD1-CD2 3.57Å; I64-L81 HydrophobicContact CD1-CD2 3.89Å; I64-L81 HydrophobicContact CG2-CD1 3.94Å; I64-L81 HydrophobicContact CG2-CD2 4.22Å; F73-L81 HydrophobicContact CD2-CD1 4.21Å; F73-L81 HydrophobicContact CE2-CD1 3.6Å; F73-L81 HydrophobicContact CZ-CD1 4.19Å; A77-L81 WeakPolarHBondContact O-CB 3.34Å; A77-L81 VanDerWaalsContact O-CG 3.3Å; A77-L81 WeakPolarHBondContact O-CG 3.49Å; A77-L81 PolarHBondContact O-N 2.88Å; L81-K83 PolarHBondContact O-N 2.82Å; L81-A84 PolarHBondContact O-N 3.25Å; L81-A84 VanDerWaalsContact O-N 3.17Å; L81-V85 WeakPolarHBondContact O-CG2 3.21Å; L81-V85 PolarHBondContact O-N 3.43Å; L81-V85 VanDerWaalsContact O-N 3.12Å; L81-I108 HydrophobicContact CD1-CD1 4.3Å
82W88.4Confident85.8Confident115 Ų11560.6 Ų60.644%0.43630%0.3SS..Hα-helixtrans-58.1-49.8177.2172.8-113.8000111.7V78 E79 A80 A84 V85 A86 L89 L105V78-W82 WeakPolarHBondContact O-CB 3.19Å; V78-W82 PolarHBondContact O-N 2.69Å; E79-W82 PolarHBondContact O-N 2.97Å; A80-W82 PolarHBondContact O-N 3.44Å; W82-A84 PolarHBondContact O-N 3.08Å; W82-V85 PolarHBondContact O-N 2.96Å; W82-A86 HydrophobicContact CD2-CB 4.28Å; W82-A86 HydrophobicContact CH2-CB 4.29Å; W82-A86 HydrophobicContact CZ2-CB 4.03Å; W82-A86 VanDerWaalsContact O-CB 3.3Å; W82-A86 WeakPolarHBondContact O-CB 3.29Å; W82-A86 PolarHBondContact O-N 3.33Å; W82-L89 HydrophobicContact CH2-CD1 3.57Å; W82-L89 HydrophobicContact CZ3-CD1 3.54Å; W82-L105 HydrophobicContact CE3-CD2 4.32Å; W82-L105 HydrophobicContact CZ3-CD1 4.29Å
83K87.8Confident86Confident166 Ų16663.1 Ų63.172%0.72231%0.309SS*.Hα-helixtrans-57.7-36.9177-71.1175.9-175.2173.50112E79 A80 L81E79-K83 WeakPolarHBondContact O-CG 3.46Å; E79-K83 PolarHBondContact O-N 2.91Å; A80-K83 PolarHBondContact O-N 3.28Å; L81-K83 PolarHBondContact O-N 2.82Å
84A89.6Confident86.3Confident18 Ų1865.7 Ų65.715%0.14933%0.325CS..Hα-helixtrans-74.8-23.5-178.500000114.3L45 L48 R57 A80 L81 W82L45-A84 HydrophobicContact CD2-CB 4.16Å; L48-A84 HydrophobicContact CB-CB 4.02Å; L48-A84 HydrophobicContact CD1-CB 4.25Å; R57-A84 PolarHBondContact NH2-O 3.07Å; A80-A84 WeakPolarHBondContact O-CB 3.4Å; A80-A84 PolarHBondContact O-N 3.12Å; L81-A84 PolarHBondContact O-N 3.25Å; L81-A84 VanDerWaalsContact O-N 3.17Å; W82-A84 PolarHBondContact O-N 3.08Å
85V92.1Very high86.6Confident1 Ų167.1 Ų67.11%0.00633%0.334CS..Hα-helixtrans-119.2-6.5-173.7-51.80000114.9L48 I61 L81 W82 D87 L88 V101 L104L48-V85 HydrophobicContact CD1-CG1 4.19Å; L48-V85 HydrophobicContact CD2-CG1 4.04Å; I61-V85 HydrophobicContact CD1-CB 4.42Å; I61-V85 HydrophobicContact CD1-CG1 4.04Å; I61-V85 HydrophobicContact CG1-CG1 4.11Å; L81-V85 WeakPolarHBondContact O-CG2 3.21Å; L81-V85 PolarHBondContact O-N 3.43Å; L81-V85 VanDerWaalsContact O-N 3.12Å; W82-V85 PolarHBondContact O-N 2.96Å; V85-D87 PolarHBondContact O-N 3.14Å; V85-L88 HydrophobicContact CB-CD1 4.47Å; V85-L88 WeakPolarHBondContact O-CB 3.41Å; V85-L88 PolarHBondContact O-N 3.2Å; V85-V101 HydrophobicContact CB-CG2 4.01Å; V85-V101 HydrophobicContact CG2-CG1 3.83Å; V85-V101 HydrophobicContact CG2-CG2 4.1Å; V85-L104 HydrophobicContact CG2-CD2 4.39Å
86A88Confident87.4Confident28 Ų2865.8 Ų65.823%0.23133%0.328CS..G310 helixtrans-59.3-30.8-176.200000113.7W82 L88 L89W82-A86 HydrophobicContact CD2-CB 4.28Å; W82-A86 HydrophobicContact CH2-CB 4.29Å; W82-A86 HydrophobicContact CZ2-CB 4.03Å; W82-A86 VanDerWaalsContact O-CB 3.3Å; W82-A86 WeakPolarHBondContact O-CB 3.29Å; W82-A86 PolarHBondContact O-N 3.33Å; A86-L88 PolarHBondContact O-N 3.1Å; A86-L89 PolarHBondContact O-N 3.48Å
87D89.6Confident87.8Confident31 Ų3160.2 Ų60.217%0.16630%0.303CS..G310 helixtrans-68.4-16.3177.575.9-66.6000113.5R57 V85 L89 Q90 R93R57-D87 IonicContact CZ-OD1 3.85Å; R57-D87 IonicContact CZ-OD2 3.36Å; R57-D87 IonicContact NH1-OD1 2.97Å; R57-D87 PolarHBondContact NH1-OD1 3.31Å; R57-D87 IonicContact NH1-OD2 2.69Å; R57-D87 PolarHBondContact NH1-OD2 3.37Å; R57-D87 IonicContact NH2-OD1 2.71Å; R57-D87 PolarHBondContact NH2-OD1 2.96Å; R57-D87 IonicContact NH2-OD2 3.44Å; V85-D87 PolarHBondContact O-N 3.14Å; D87-L89 VanDerWaalsContact C-N 3.28Å; D87-Q90 VanDerWaalsContact O-CG 3.28Å; D87-Q90 WeakPolarHBondContact O-CG 3.35Å; D87-R93 WeakPolarHBondContact O-CG 3.33Å; D87-R93 PolarHBondContact O-NE 2.84Å; D87-R93 VanDerWaalsContact O-NE 3.15Å; D87-R93 IonicContact OD2-CZ 3.8Å; D87-R93 IonicContact OD2-NE 3.25Å; D87-R93 IonicContact OD2-NH2 2.56Å; D87-R93 PolarHBondContact OD2-NH2 3.11Å
88L88.3Confident88.1Confident0 Ų064.4 Ų64.40%032%0.318CS..G310 helixtrans-79.4-12.8176.6-61.8-179.4000112.7L54 R57 I61 V85 A86 Q90 R93 A97 R98 V101L54-L88 HydrophobicContact CD1-CD2 3.35Å; R57-L88 HydrophobicContact CB-CD1 4.37Å; R57-L88 VanDerWaalsContact NH1-CD2 3.27Å; I61-L88 HydrophobicContact CD1-CD1 3.5Å; I61-L88 VanDerWaalsContact CD1-CD1 3.5Å; V85-L88 HydrophobicContact CB-CD1 4.47Å; V85-L88 WeakPolarHBondContact O-CB 3.41Å; V85-L88 PolarHBondContact O-N 3.2Å; A86-L88 PolarHBondContact O-N 3.1Å; L88-Q90 VanDerWaalsContact C-N 3.33Å; L88-R93 WeakPolarHBondContact O-CB 3.47Å; L88-A97 HydrophobicContact CB-CB 4.44Å; L88-A97 HydrophobicContact CD2-CB 4.44Å; L88-R98 WeakPolarHBondContact O-CG 3.36Å; L88-V101 HydrophobicContact CB-CG2 3.67Å; L88-V101 HydrophobicContact CD1-CG2 4.05Å; L88-V101 HydrophobicContact CG-CG2 4.47Å
89L87.8Confident88.5Confident53 Ų5368.3 Ų68.328%0.27733%0.334SS..G310 helixtrans-84.5-4.2176.1-71.9173.2000113.9W82 A86 D87 V101 L102W82-L89 HydrophobicContact CH2-CD1 3.57Å; W82-L89 HydrophobicContact CZ3-CD1 3.54Å; A86-L89 PolarHBondContact O-N 3.48Å; D87-L89 VanDerWaalsContact C-N 3.28Å; L89-V101 HydrophobicContact CD1-CG1 3.8Å; L89-V101 HydrophobicContact CD2-CB 3.94Å; L89-V101 HydrophobicContact CD2-CG1 3.92Å; L89-V101 HydrophobicContact CG-CB 4.13Å; L89-V101 HydrophobicContact CG-CG1 3.76Å; L89-L102 HydrophobicContact CD2-CD2 4.29Å; L89-L102 HydrophobicContact CD2-CG 4.25Å
90Q86.6Confident88.9Confident100 Ų10063.9 Ų63.947%0.46732%0.316SS..SBendtrans-61141.8178.8-59-59-40.600110.8D87 L88 E92 R93D87-Q90 VanDerWaalsContact O-CG 3.28Å; D87-Q90 WeakPolarHBondContact O-CG 3.35Å; L88-Q90 VanDerWaalsContact C-N 3.33Å; Q90-E92 PolarHBondContact O-N 3.3Å; Q90-E92 VanDerWaalsContact O-N 3.15Å; Q90-R93 HydrophobicContact CB-CG 3.96Å; Q90-R93 VanDerWaalsContact O-CB 3.26Å; Q90-R93 WeakPolarHBondContact O-CB 3.39Å; Q90-R93 PolarHBondContact O-N 3.42Å
91P77.8Confident89.1Confident88 Ų8862.4 Ų62.457%0.57130%0.304SS*.THydrogen-bonded Turntrans-62.7-23.4-174.520.2-27.6000113.9R93P91-R93 VanDerWaalsContact C-N 3.28Å
92E89.4Confident89.1Confident157 Ų15766.4 Ų66.473%0.73433%0.325SS*.THydrogen-bonded Turntrans-75.2-17.1175.6-61.268.8-148.700112.5Q90Q90-E92 PolarHBondContact O-N 3.3Å; Q90-E92 VanDerWaalsContact O-N 3.15Å
93R83.8Confident89.1Confident92 Ų9263.2 Ų63.235%0.34732%0.323SS..SBendtrans-74.7144178.1-61.4-70.6-164.1-167.27110D87 L88 Q90 P91 R98D87-R93 WeakPolarHBondContact O-CG 3.33Å; D87-R93 PolarHBondContact O-NE 2.84Å; D87-R93 VanDerWaalsContact O-NE 3.15Å; D87-R93 IonicContact OD2-CZ 3.8Å; D87-R93 IonicContact OD2-NE 3.25Å; D87-R93 IonicContact OD2-NH2 2.56Å; D87-R93 PolarHBondContact OD2-NH2 3.11Å; L88-R93 WeakPolarHBondContact O-CB 3.47Å; Q90-R93 HydrophobicContact CB-CG 3.96Å; Q90-R93 VanDerWaalsContact O-CB 3.26Å; Q90-R93 WeakPolarHBondContact O-CB 3.39Å; Q90-R93 PolarHBondContact O-N 3.42Å; P91-R93 VanDerWaalsContact C-N 3.28Å; R93-R98 HydrophobicContact CB-CG 4.34Å; R93-R98 PolarHBondContact O-NE 3.49Å
94P91.4Very high89.2Confident55 Ų5555.4 Ų55.436%0.35729%0.289SS..  trans-62.2154.4-179.730-36.7000110.9L54 E96 A97 R98L54-P94 HydrophobicContact CD2-CG 3.35Å; P94-E96 WeakPolarHBondContact CB-OE2 3.48Å; P94-E96 PolarHBondContact O-N 3.19Å; P94-A97 HydrophobicContact CG-CB 4.23Å; P94-A97 PolarHBondContact O-N 3.48Å; P94-A97 VanDerWaalsContact O-N 3.17Å; P94-R98 PolarHBondContact O-N 2.89Å
95L89.4Confident89.1Confident84 Ų8455.7 Ų55.744%0.4429%0.288SS..Hα-helixtrans-60.2-33.9-17174.290.1000111.6A97 R98 H99L95-A97 VanDerWaalsContact C-N 3.31Å; L95-A97 PolarHBondContact O-N 3.21Å; L95-R98 PolarHBondContact O-N 2.86Å; L95-H99 VanDerWaalsContact CD1-CE1 3.42Å; L95-H99 WeakPolarHBondContact CD1-CE1 3.49Å; L95-H99 WeakPolarHBondContact CD1-ND1 3.28Å; L95-H99 WeakPolarHBondContact O-CB 3.3Å; L95-H99 PolarHBondContact O-CD2 3.2Å; L95-H99 PolarHBondContact O-N 3.36Å
96E92.8Very high88.7Confident105 Ų10561.9 Ų61.949%0.49132%0.315SS..Hα-helixtrans-61.5-41.6-178.7-60.677.8-170.800110.9I58 P94 A100I58-E96 HydrophobicContact CD1-CB 4.29Å; P94-E96 WeakPolarHBondContact CB-OE2 3.48Å; P94-E96 PolarHBondContact O-N 3.19Å; E96-A100 WeakPolarHBondContact O-CB 3.46Å; E96-A100 PolarHBondContact O-N 3.15Å
97A89.6Confident88.6Confident0 Ų060.7 Ų60.70%031%0.305CS..Hα-helixtrans-66-45.7177.500000111.5L54 I58 L88 P94 L95 A100 V101L54-A97 HydrophobicContact CD1-CB 3.86Å; L54-A97 HydrophobicContact CD2-CB 4.43Å; L54-A97 HydrophobicContact CG-CB 4.43Å; I58-A97 HydrophobicContact CD1-CB 3.98Å; I58-A97 HydrophobicContact CG1-CB 4.26Å; L88-A97 HydrophobicContact CB-CB 4.44Å; L88-A97 HydrophobicContact CD2-CB 4.44Å; P94-A97 HydrophobicContact CG-CB 4.23Å; P94-A97 PolarHBondContact O-N 3.48Å; P94-A97 VanDerWaalsContact O-N 3.17Å; L95-A97 VanDerWaalsContact C-N 3.31Å; L95-A97 PolarHBondContact O-N 3.21Å; A97-A100 PolarHBondContact O-N 3.2Å; A97-V101 PolarHBondContact O-N 3.26Å
98R91.8Very high88.4Confident89 Ų8959.3 Ų59.334%0.33630%0.298SS..Hα-helixtrans-62.4-44.4177.8-67.4-174.5-79.7153.60.1111.1L88 R93 P94 L95 A100 V101 L102L88-R98 WeakPolarHBondContact O-CG 3.36Å; R93-R98 HydrophobicContact CB-CG 4.34Å; R93-R98 PolarHBondContact O-NE 3.49Å; P94-R98 PolarHBondContact O-N 2.89Å; L95-R98 PolarHBondContact O-N 2.86Å; R98-A100 PolarHBondContact O-N 3.33Å; R98-V101 PolarHBondContact O-N 3.15Å; R98-L102 WeakPolarHBondContact O-CG 3.26Å; R98-L102 PolarHBondContact O-N 3.32Å; R98-L102 VanDerWaalsContact O-N 3.09Å
99H92.3Very high87.9Confident112 Ų11261.6 Ų61.652%0.51931%0.311SS..Hα-helixtrans-63.2-39.2176.6-70.3175.6000112.6L95 V101 L102 A103L95-H99 VanDerWaalsContact CD1-CE1 3.42Å; L95-H99 WeakPolarHBondContact CD1-CE1 3.49Å; L95-H99 WeakPolarHBondContact CD1-ND1 3.28Å; L95-H99 WeakPolarHBondContact O-CB 3.3Å; L95-H99 PolarHBondContact O-CD2 3.2Å; L95-H99 PolarHBondContact O-N 3.36Å; H99-V101 PolarHBondContact O-N 3.43Å; H99-L102 PolarHBondContact O-N 3.27Å; H99-A103 WeakPolarHBondContact O-CB 3.4Å; H99-A103 PolarHBondContact O-N 3.17Å
100A92.8Very high87.5Confident15 Ų1565.1 Ų65.112%0.12433%0.326CS..Hα-helixtrans-60.1-45.7176.600000111.6I58 I61 E96 A97 R98 A103 L104I58-A100 HydrophobicContact CG1-CB 4.39Å; I58-A100 HydrophobicContact CG2-CB 4.07Å; I61-A100 HydrophobicContact CB-CB 4.4Å; I61-A100 HydrophobicContact CD1-CB 4.4Å; I61-A100 HydrophobicContact CG2-CB 3.94Å; I61-A100 WeakPolarHBondContact CG2-O 3.38Å; E96-A100 WeakPolarHBondContact O-CB 3.46Å; E96-A100 PolarHBondContact O-N 3.15Å; A97-A100 PolarHBondContact O-N 3.2Å; R98-A100 PolarHBondContact O-N 3.33Å; A100-A103 WeakPolarHBondContact O-CB 3.2Å; A100-A103 PolarHBondContact O-N 3.4Å; A100-L104 PolarHBondContact O-N 2.97Å
101V91.9Very high87Confident0 Ų061.1 Ų61.10%031%0.312CS..Hα-helixtrans-63.9-43.8177.1178.30000111.8I61 V85 L88 L89 A97 R98 H99 A103 L104 L105I61-V101 HydrophobicContact CD1-CG2 4.08Å; V85-V101 HydrophobicContact CB-CG2 4.01Å; V85-V101 HydrophobicContact CG2-CG1 3.83Å; V85-V101 HydrophobicContact CG2-CG2 4.1Å; L88-V101 HydrophobicContact CB-CG2 3.67Å; L88-V101 HydrophobicContact CD1-CG2 4.05Å; L88-V101 HydrophobicContact CG-CG2 4.47Å; L89-V101 HydrophobicContact CD1-CG1 3.8Å; L89-V101 HydrophobicContact CD2-CB 3.94Å; L89-V101 HydrophobicContact CD2-CG1 3.92Å; L89-V101 HydrophobicContact CG-CB 4.13Å; L89-V101 HydrophobicContact CG-CG1 3.76Å; A97-V101 PolarHBondContact O-N 3.26Å; R98-V101 PolarHBondContact O-N 3.15Å; H99-V101 PolarHBondContact O-N 3.43Å; V101-A103 VanDerWaalsContact C-N 3.29Å; V101-A103 PolarHBondContact O-N 3.3Å; V101-L104 WeakPolarHBondContact O-CB 3.1Å; V101-L104 PolarHBondContact O-N 3.48Å; V101-L104 VanDerWaalsContact O-N 3.16Å; V101-L105 HydrophobicContact CG1-CD1 4.43Å; V101-L105 WeakPolarHBondContact O-CG 3.25Å; V101-L105 PolarHBondContact O-N 3.01Å
102L89.1Confident86.7Confident85 Ų8557.2 Ų57.245%0.44529%0.286SS..Hα-helixtrans-62.7-37.5177.2-66.7172.5000112L89 R98 H99 L105 K106L89-L102 HydrophobicContact CD2-CD2 4.29Å; L89-L102 HydrophobicContact CD2-CG 4.25Å; R98-L102 WeakPolarHBondContact O-CG 3.26Å; R98-L102 PolarHBondContact O-N 3.32Å; R98-L102 VanDerWaalsContact O-N 3.09Å; H99-L102 PolarHBondContact O-N 3.27Å; L102-L105 PolarHBondContact O-N 3.36Å; L102-K106 WeakPolarHBondContact O-CB 3.17Å; L102-K106 PolarHBondContact O-N 3Å
103A89.3Confident85.3Confident49 Ų4951.2 Ų51.241%0.40527%0.267SS..Hα-helixtrans-64.1-39.4174.100000112H99 A100 V101 K106 A107H99-A103 WeakPolarHBondContact O-CB 3.4Å; H99-A103 PolarHBondContact O-N 3.17Å; A100-A103 WeakPolarHBondContact O-CB 3.2Å; A100-A103 PolarHBondContact O-N 3.4Å; V101-A103 VanDerWaalsContact C-N 3.29Å; V101-A103 PolarHBondContact O-N 3.3Å; A103-K106 PolarHBondContact O-N 3.4Å; A103-A107 WeakPolarHBondContact O-CB 3.43Å; A103-A107 PolarHBondContact O-N 2.88Å
104L89.9Confident84.1Confident2 Ų254.3 Ų54.31%0.0129%0.285CS..Hα-helixtrans-62.8-48.8174.1176.663.3000112I61 I64 C65 V85 A100 V101 K106 A107 I108I61-L104 HydrophobicContact CG2-CB 3.8Å; I61-L104 HydrophobicContact CG2-CD2 4.21Å; I64-L104 HydrophobicContact CB-CD1 4.13Å; I64-L104 HydrophobicContact CG2-CD1 3.63Å; C65-L104 WeakPolarHBondContact SG-CA 3.32Å; V85-L104 HydrophobicContact CG2-CD2 4.39Å; A100-L104 PolarHBondContact O-N 2.97Å; V101-L104 WeakPolarHBondContact O-CB 3.1Å; V101-L104 PolarHBondContact O-N 3.48Å; V101-L104 VanDerWaalsContact O-N 3.16Å; L104-K106 VanDerWaalsContact C-N 3.27Å; L104-K106 PolarHBondContact O-N 3.3Å; L104-A107 PolarHBondContact O-N 3.34Å; L104-A107 VanDerWaalsContact O-N 3.11Å; L104-I108 HydrophobicContact CD1-CD1 3.92Å; L104-I108 HydrophobicContact CD1-CG1 4.1Å; L104-I108 HydrophobicContact CG-CD1 3.87Å; L104-I108 HydrophobicContact CG-CG1 4.43Å; L104-I108 VanDerWaalsContact O-CG1 3.29Å; L104-I108 WeakPolarHBondContact O-CG1 3.49Å; L104-I108 PolarHBondContact O-N 3.26Å
105L88.1Confident82.6Confident23 Ų2357.7 Ų57.712%0.1229%0.291CS..Hα-helixtrans-57.7-43.2177-66.8176.4000111.2W82 V101 L102 I108 V109W82-L105 HydrophobicContact CE3-CD2 4.32Å; W82-L105 HydrophobicContact CZ3-CD1 4.29Å; V101-L105 HydrophobicContact CG1-CD1 4.43Å; V101-L105 WeakPolarHBondContact O-CG 3.25Å; V101-L105 PolarHBondContact O-N 3.01Å; L102-L105 PolarHBondContact O-N 3.36Å; L105-I108 PolarHBondContact O-N 3.21Å; L105-V109 VanDerWaalsContact O-CG2 3.25Å; L105-V109 WeakPolarHBondContact O-CG2 3.44Å; L105-V109 PolarHBondContact O-N 3.16Å
106K83.9Confident81.3Confident131 Ų13154.4 Ų54.457%0.5727%0.274SS*.Hα-helixtrans-60.1-47.1174.4-179.7178.8176.4-178.70111.9L102 A103 L104 I108 V109 Q110L102-K106 WeakPolarHBondContact O-CB 3.17Å; L102-K106 PolarHBondContact O-N 3Å; A103-K106 PolarHBondContact O-N 3.4Å; L104-K106 VanDerWaalsContact C-N 3.27Å; L104-K106 PolarHBondContact O-N 3.3Å; K106-I108 PolarHBondContact O-N 3.09Å; K106-V109 PolarHBondContact O-N 2.97Å; K106-Q110 HydrophobicContact CG-CG 4.5Å; K106-Q110 WeakPolarHBondContact O-CB 3.44Å; K106-Q110 VanDerWaalsContact O-CG 3.28Å; K106-Q110 WeakPolarHBondContact O-CG 3.4Å; K106-Q110 PolarHBondContact O-N 3.48Å
107A85.5Confident79.7Confident3 Ų351.6 Ų51.63%0.02527%0.272CS..Hα-helixtrans-62.6-41.5179.800000112.2C65 A68 K69 A103 L104 Q110 G111C65-A107 HydrophobicContact CB-CB 4.04Å; A68-A107 HydrophobicContact CB-CB 4.12Å; K69-A107 HydrophobicContact CG-CB 4.24Å; A103-A107 WeakPolarHBondContact O-CB 3.43Å; A103-A107 PolarHBondContact O-N 2.88Å; L104-A107 PolarHBondContact O-N 3.34Å; L104-A107 VanDerWaalsContact O-N 3.11Å; A107-Q110 PolarHBondContact O-N 3.36Å; A107-G111 PolarHBondContact O-N 2.91Å
108I84.6Confident78.3Confident3 Ų357.7 Ų57.72%0.01531%0.31CS..Hα-helixtrans-62.8-46.3176-65.2171.9000110.2A68 F73 V78 L81 L104 L105 K106 Q110 G111 Q112 L116 L119A68-I108 HydrophobicContact CB-CG1 4Å; F73-I108 HydrophobicContact CE2-CD1 4.29Å; F73-I108 HydrophobicContact CE2-CG1 3.99Å; V78-I108 HydrophobicContact CG1-CG2 4.14Å; V78-I108 HydrophobicContact CG2-CG2 3.83Å; L81-I108 HydrophobicContact CD1-CD1 4.3Å; L104-I108 HydrophobicContact CD1-CD1 3.92Å; L104-I108 HydrophobicContact CD1-CG1 4.1Å; L104-I108 HydrophobicContact CG-CD1 3.87Å; L104-I108 HydrophobicContact CG-CG1 4.43Å; L104-I108 VanDerWaalsContact O-CG1 3.29Å; L104-I108 WeakPolarHBondContact O-CG1 3.49Å; L104-I108 PolarHBondContact O-N 3.26Å; L105-I108 PolarHBondContact O-N 3.21Å; K106-I108 PolarHBondContact O-N 3.09Å; I108-Q110 VanDerWaalsContact C-N 3.3Å; I108-Q110 PolarHBondContact O-N 3.11Å; I108-G111 PolarHBondContact O-N 3.34Å; I108-Q112 HydrophobicContact CG2-CB 4.27Å; I108-Q112 HydrophobicContact CG2-CG 3.83Å; I108-Q112 WeakPolarHBondContact O-CA 3.4Å; I108-Q112 WeakPolarHBondContact O-CB 3.47Å; I108-Q112 VanDerWaalsContact O-CG 3.23Å; I108-Q112 WeakPolarHBondContact O-CG 3.28Å; I108-Q112 PolarHBondContact O-N 3.01Å; I108-L116 HydrophobicContact CG2-CD1 4.29Å; I108-L116 HydrophobicContact CG2-CD2 3.93Å; I108-L119 HydrophobicContact CG2-CD2 4.37Å
109V78.9Confident76.7Confident47 Ų4755 Ų5529%0.28530%0.302SS..Hα-helixtrans-59-44.2177.3174.10000111.8L105 K106 G113 L116 L119 H123L105-V109 VanDerWaalsContact O-CG2 3.25Å; L105-V109 WeakPolarHBondContact O-CG2 3.44Å; L105-V109 PolarHBondContact O-N 3.16Å; K106-V109 PolarHBondContact O-N 2.97Å; V109-G113 WeakPolarHBondContact O-CA 3.3Å; V109-G113 PolarHBondContact O-N 3.48Å; V109-L116 HydrophobicContact CB-CD2 4.41Å; V109-L116 HydrophobicContact CG2-CD2 4Å; V109-L119 HydrophobicContact CG2-CD2 4.02Å; V109-H123 WeakPolarHBondContact CG2-CE1 3.38Å; V109-H123 WeakPolarHBondContact CG2-ND1 3.36Å
110Q78.7Confident75.3Confident127 Ų12756.4 Ų56.459%0.59330%0.303SS*.Hα-helixtrans-67.7-44.8-177.2-72.4178.5-29.200112.2K106 A107 I108K106-Q110 HydrophobicContact CG-CG 4.5Å; K106-Q110 WeakPolarHBondContact O-CB 3.44Å; K106-Q110 VanDerWaalsContact O-CG 3.28Å; K106-Q110 WeakPolarHBondContact O-CG 3.4Å; K106-Q110 PolarHBondContact O-N 3.48Å; A107-Q110 PolarHBondContact O-N 3.36Å; I108-Q110 VanDerWaalsContact C-N 3.3Å; I108-Q110 PolarHBondContact O-N 3.11Å
111G76.9Confident73.6Confident17 Ų1758.7 Ų58.718%0.17532%0.321CS..Hα-helixtrans-87.4-25.6-177.600000115.2A68 K72 A107 I108A68-G111 WeakPolarHBondContact O-CA 3.35Å; K72-G111 PolarHBondContact NZ-O 3.4Å; K72-G111 VanDerWaalsContact NZ-O 3.12Å; A107-G111 PolarHBondContact O-N 2.91Å; I108-G111 PolarHBondContact O-N 3.34Å
112Q70.9Confident72.1Confident5 Ų563.5 Ų63.52%0.02335%0.346CS..Hα-helixtrans-103.55.8-174.8-47.8-55.7-57.100113.8A68 K71 K72 F73 I108 E114 R115 L116A68-Q112 PolarHBondContact O-NE2 2.89Å; K71-Q112 PolarHBondContact O-NE2 3.2Å; K72-Q112 VanDerWaalsContact CA-OE1 3.31Å; F73-Q112 HydrophobicContact CD2-CG 4.49Å; I108-Q112 HydrophobicContact CG2-CB 4.27Å; I108-Q112 HydrophobicContact CG2-CG 3.83Å; I108-Q112 WeakPolarHBondContact O-CA 3.4Å; I108-Q112 WeakPolarHBondContact O-CB 3.47Å; I108-Q112 VanDerWaalsContact O-CG 3.23Å; I108-Q112 WeakPolarHBondContact O-CG 3.28Å; I108-Q112 PolarHBondContact O-N 3.01Å; Q112-E114 PolarHBondContact O-N 3.44Å; Q112-R115 PolarHBondContact O-N 2.96Å; Q112-L116 HydrophobicContact CB-CD1 3.44Å; Q112-L116 VanDerWaalsContact CB-CD1 3.44Å; Q112-L116 HydrophobicContact CB-CD2 4.38Å; Q112-L116 HydrophobicContact CB-CG 4.46Å; Q112-L116 HydrophobicContact CG-CD1 4.4Å
113G60.5Low70.8Confident31 Ų3161.1 Ų61.132%0.3233%0.333SS..THydrogen-bonded Turntrans-48.3-28.3-165.700000118.1V109 R120V109-G113 WeakPolarHBondContact O-CA 3.3Å; V109-G113 PolarHBondContact O-N 3.48Å; G113-R120 PolarHBondContact O-NH2 2.75Å; G113-R120 VanDerWaalsContact O-NH2 3.15Å
114E58.9Low69.6Low157 Ų15761.7 Ų61.773%0.73434%0.338SS*.THydrogen-bonded Turntrans-68.9-35.6176.5-70168.6150.400113.4K72 Q112K72-E114 IonicContact NZ-OE2 3.73Å; K72-E114 PolarHBondContact NZ-OE2 3.49Å; Q112-E114 PolarHBondContact O-N 3.44Å
115R58.7Low68.3Low126 Ų12666 Ų6648%0.47536%0.36SS..THydrogen-bonded Turntrans-94.6-9.3-178-79.817869-151.73.5114.3E37 F73 Q112 G117E37-R115 IonicContact OE1-NH1 2.81Å; F73-R115 PolarHBondContact O-NH1 3.19Å; Q112-R115 PolarHBondContact O-N 2.96Å; R115-G117 VanDerWaalsContact C-N 3.31Å; R115-G117 PolarHBondContact O-N 3.37Å; R115-G117 VanDerWaalsContact O-N 3.11Å
116L61.5Low67.2Low16 Ų1668.8 Ų68.88%0.08437%0.374CS..  trans-87.734.3-165.6-115.169.8000115.6I108 V109 Q112 V118 L119 R120I108-L116 HydrophobicContact CG2-CD1 4.29Å; I108-L116 HydrophobicContact CG2-CD2 3.93Å; V109-L116 HydrophobicContact CB-CD2 4.41Å; V109-L116 HydrophobicContact CG2-CD2 4Å; Q112-L116 HydrophobicContact CB-CD1 3.44Å; Q112-L116 VanDerWaalsContact CB-CD1 3.44Å; Q112-L116 HydrophobicContact CB-CD2 4.38Å; Q112-L116 HydrophobicContact CB-CG 4.46Å; Q112-L116 HydrophobicContact CG-CD1 4.4Å; L116-V118 VanDerWaalsContact C-N 3.25Å; L116-V118 PolarHBondContact O-N 3Å; L116-L119 HydrophobicContact CB-CB 4.27Å; L116-L119 HydrophobicContact CD2-CB 3.74Å; L116-L119 HydrophobicContact CD2-CD2 3.35Å; L116-L119 HydrophobicContact CD2-CG 4.16Å; L116-L119 HydrophobicContact CG-CB 3.6Å; L116-L119 HydrophobicContact CG-CD2 4.04Å; L116-L119 HydrophobicContact CG-CG 4.45Å; L116-L119 PolarHBondContact O-N 3.35Å; L116-R120 WeakPolarHBondContact O-CB 3.47Å; L116-R120 PolarHBondContact O-N 2.9Å
117G59.9Low66.2Low45 Ų4565.5 Ų65.546%0.46437%0.371SS..Hα-helixtrans-51.9-41.9-177.700000113.6R115 A121R115-G117 VanDerWaalsContact C-N 3.31Å; R115-G117 PolarHBondContact O-N 3.37Å; R115-G117 VanDerWaalsContact O-N 3.11Å; G117-A121 PolarHBondContact O-N 3.35Å
118V59.7Low65.1Low129 Ų12967.6 Ų67.678%0.78239%0.386SS*.Hα-helixtrans-74.9-39.8-180-179.20000112.5L116 R120 A121 L122L116-V118 VanDerWaalsContact C-N 3.25Å; L116-V118 PolarHBondContact O-N 3Å; V118-R120 VanDerWaalsContact C-N 3.33Å; V118-R120 PolarHBondContact O-N 3.48Å; V118-A121 WeakPolarHBondContact O-CB 3.15Å; V118-A121 PolarHBondContact O-N 3.44Å; V118-L122 PolarHBondContact O-N 2.71Å; V118-L122 VanDerWaalsContact O-N 3.11Å
119L59.6Low63.7Low32 Ų3270.9 Ų70.917%0.16840%0.401CS..Hα-helixtrans-70.7-31.5177.8-148.980.5000111.5V78 I108 V109 L116 A121 L122 H123V78-L119 HydrophobicContact CG1-CD1 4.44Å; I108-L119 HydrophobicContact CG2-CD2 4.37Å; V109-L119 HydrophobicContact CG2-CD2 4.02Å; L116-L119 HydrophobicContact CB-CB 4.27Å; L116-L119 HydrophobicContact CD2-CB 3.74Å; L116-L119 HydrophobicContact CD2-CD2 3.35Å; L116-L119 HydrophobicContact CD2-CG 4.16Å; L116-L119 HydrophobicContact CG-CB 3.6Å; L116-L119 HydrophobicContact CG-CD2 4.04Å; L116-L119 HydrophobicContact CG-CG 4.45Å; L116-L119 PolarHBondContact O-N 3.35Å; L119-A121 VanDerWaalsContact C-N 3.32Å; L119-A121 PolarHBondContact O-N 2.89Å; L119-L122 PolarHBondContact O-N 2.94Å; L119-H123 WeakPolarHBondContact CD2-CE1 3.29Å; L119-H123 VanDerWaalsContact O-CB 3.3Å; L119-H123 WeakPolarHBondContact O-CB 3.33Å; L119-H123 PolarHBondContact O-N 3.44Å; L119-H123 PolarHBondContact O-ND1 3.46Å
120R62Low62.9Low142 Ų14272.1 Ų72.154%0.53641%0.409SS..Hα-helixtrans-60.2-40.6169.3-98.7-175.9-73.9179.3-5.1111.8G113 L116 V118 H123 A124G113-R120 PolarHBondContact O-NH2 2.75Å; G113-R120 VanDerWaalsContact O-NH2 3.15Å; L116-R120 WeakPolarHBondContact O-CB 3.47Å; L116-R120 PolarHBondContact O-N 2.9Å; V118-R120 VanDerWaalsContact C-N 3.33Å; V118-R120 PolarHBondContact O-N 3.48Å; R120-H123 PolarHBondContact O-N 3.49Å; R120-A124 WeakPolarHBondContact O-CB 3.39Å; R120-A124 PolarHBondContact O-N 2.83Å
121A57.2Low62Low62 Ų6272 Ų7251%0.51241%0.407SS..Hα-helixtrans-66.4-43176.300000111.8G117 V118 L119 H123 A124 N125G117-A121 PolarHBondContact O-N 3.35Å; V118-A121 WeakPolarHBondContact O-CB 3.15Å; V118-A121 PolarHBondContact O-N 3.44Å; L119-A121 VanDerWaalsContact C-N 3.32Å; L119-A121 PolarHBondContact O-N 2.89Å; A121-H123 VanDerWaalsContact C-N 3.33Å; A121-H123 PolarHBondContact O-N 3.43Å; A121-A124 PolarHBondContact O-N 3.15Å; A121-N125 VanDerWaalsContact O-CB 3.3Å; A121-N125 WeakPolarHBondContact O-CB 3.45Å; A121-N125 PolarHBondContact O-N 2.96Å
122L59.7Low60.9Low101 Ų10176.2 Ų76.253%0.52942%0.422SS..Hα-helixtrans-62.4-41175.3-162.5107.5000111.7V118 L119 N125 M126V118-L122 PolarHBondContact O-N 2.71Å; V118-L122 VanDerWaalsContact O-N 3.11Å; L119-L122 PolarHBondContact O-N 2.94Å; L122-N125 PolarHBondContact O-N 3Å; L122-M126 WeakPolarHBondContact O-CB 3.38Å; L122-M126 PolarHBondContact O-N 3.2Å
123H63.6Low59.9Low36 Ų3678 Ų7817%0.16744%0.435CS..Hα-helixtrans-73.9-37.7178.1-66.8167.5000113.1V109 L119 R120 A121 N125 M126 A127V109-H123 WeakPolarHBondContact CG2-CE1 3.38Å; V109-H123 WeakPolarHBondContact CG2-ND1 3.36Å; L119-H123 WeakPolarHBondContact CD2-CE1 3.29Å; L119-H123 VanDerWaalsContact O-CB 3.3Å; L119-H123 WeakPolarHBondContact O-CB 3.33Å; L119-H123 PolarHBondContact O-N 3.44Å; L119-H123 PolarHBondContact O-ND1 3.46Å; R120-H123 PolarHBondContact O-N 3.49Å; A121-H123 VanDerWaalsContact C-N 3.33Å; A121-H123 PolarHBondContact O-N 3.43Å; H123-N125 VanDerWaalsContact C-N 3.28Å; H123-M126 PolarHBondContact O-N 3.3Å; H123-A127 WeakPolarHBondContact O-CB 3.48Å; H123-A127 PolarHBondContact O-N 2.79Å
124A64.1Low59.5Low61 Ų6186.5 Ų86.550%0.50446%0.458SS..Hα-helixtrans-63-39.317200000110.2R120 A121 S128R120-A124 WeakPolarHBondContact O-CB 3.39Å; R120-A124 PolarHBondContact O-N 2.83Å; A121-A124 PolarHBondContact O-N 3.15Å; A124-S128 WeakPolarHBondContact O-CA 3.48Å; A124-S128 WeakPolarHBondContact O-CB 3.3Å; A124-S128 PolarHBondContact O-N 2.76Å
125N61.1Low59.5Low91 Ų9182.8 Ų82.849%0.48745%0.449SS..Hα-helixtrans-64.3-48.9173.3-171.75.9000111.5A121 L122 H123 S128 Q129A121-N125 VanDerWaalsContact O-CB 3.3Å; A121-N125 WeakPolarHBondContact O-CB 3.45Å; A121-N125 PolarHBondContact O-N 2.96Å; L122-N125 PolarHBondContact O-N 3Å; H123-N125 VanDerWaalsContact C-N 3.28Å; N125-S128 WeakPolarHBondContact O-CB 3.01Å; N125-S128 PolarHBondContact O-N 2.9Å; N125-Q129 WeakPolarHBondContact O-CB 3.13Å; N125-Q129 VanDerWaalsContact O-CG 3.29Å; N125-Q129 WeakPolarHBondContact O-CG 3.47Å; N125-Q129 PolarHBondContact O-N 2.83Å; N125-Q129 PolarHBondContact OD1-NE2 2.97Å
126M65.8Low59.1Low83 Ų8380.3 Ų80.341%0.40945%0.445SS..Hα-helixtrans-64.2-42.8178.1-175.7165.555.600112.6L122 H123 Q129 V130L122-M126 WeakPolarHBondContact O-CB 3.38Å; L122-M126 PolarHBondContact O-N 3.2Å; H123-M126 PolarHBondContact O-N 3.3Å; M126-Q129 PolarHBondContact O-N 2.96Å; M126-V130 VanDerWaalsContact O-CG2 3.3Å; M126-V130 WeakPolarHBondContact O-CG2 3.45Å; M126-V130 PolarHBondContact O-N 3.45Å
127A62.8Low58.7Low61 Ų6185.1 Ų85.150%0.50448%0.478SS..Hα-helixtrans-65.8-39.1175.200000111.7H123 V130 H131H123-A127 WeakPolarHBondContact O-CB 3.48Å; H123-A127 PolarHBondContact O-N 2.79Å; A127-V130 PolarHBondContact O-N 2.77Å; A127-H131 VanDerWaalsContact O-CB 3.3Å; A127-H131 WeakPolarHBondContact O-CB 3.36Å; A127-H131 PolarHBondContact O-N 3.45Å
128S63.3Low58.4Low48 Ų4888.6 Ų88.634%0.33649%0.49SS..Hα-helixtrans-61-47.4172.2178.80000110.7A124 N125 V130 H131 H132A124-S128 WeakPolarHBondContact O-CA 3.48Å; A124-S128 WeakPolarHBondContact O-CB 3.3Å; A124-S128 PolarHBondContact O-N 2.76Å; N125-S128 WeakPolarHBondContact O-CB 3.01Å; N125-S128 PolarHBondContact O-N 2.9Å; S128-V130 VanDerWaalsContact C-N 3.32Å; S128-V130 PolarHBondContact O-N 3.04Å; S128-H131 PolarHBondContact O-N 2.76Å; S128-H132 WeakPolarHBondContact O-CB 3.21Å; S128-H132 PolarHBondContact O-N 3.3Å; S128-H132 PolarHBondContact O-ND1 3.01Å; S128-H132 PolarHBondContact OG-CE1 3.19Å; S128-H132 PolarHBondContact OG-ND1 2.8Å
129Q54.4Low57.8Low72 Ų7287.7 Ų87.734%0.33648%0.481SS..Hα-helixtrans-60.2-40.8176.7-73.8176.159.700112.2N125 M126 S133 Y141N125-Q129 WeakPolarHBondContact O-CB 3.13Å; N125-Q129 VanDerWaalsContact O-CG 3.29Å; N125-Q129 WeakPolarHBondContact O-CG 3.47Å; N125-Q129 PolarHBondContact O-N 2.83Å; N125-Q129 PolarHBondContact OD1-NE2 2.97Å; M126-Q129 PolarHBondContact O-N 2.96Å; Q129-S133 VanDerWaalsContact O-CB 3.3Å; Q129-S133 WeakPolarHBondContact O-CB 3.31Å; Q129-S133 PolarHBondContact O-N 3.36Å; Q129-S133 PolarHBondContact O-OG 3.11Å; Q129-Y141 HydrophobicContact CB-CE2 4.21Å
130V61.1Low57.6Low73 Ų7392.4 Ų92.444%0.44251%0.505SS..Hα-helixtrans-66.8-42.7175171.50000111.5M126 A127 S128 S133 R134M126-V130 VanDerWaalsContact O-CG2 3.3Å; M126-V130 WeakPolarHBondContact O-CG2 3.45Å; M126-V130 PolarHBondContact O-N 3.45Å; A127-V130 PolarHBondContact O-N 2.77Å; S128-V130 VanDerWaalsContact C-N 3.32Å; S128-V130 PolarHBondContact O-N 3.04Å; V130-S133 PolarHBondContact O-N 3.33Å; V130-R134 WeakPolarHBondContact O-CG 3.42Å; V130-R134 PolarHBondContact O-N 3.11Å; V130-R134 VanDerWaalsContact O-N 3.11Å
131H61Low56.9Low123 Ų12390 Ų9057%0.56950%0.496SS*.Hα-helixtrans-66.7-47179.1-171.7-86000111.6A127 S128 S133 R134 S135A127-H131 VanDerWaalsContact O-CB 3.3Å; A127-H131 WeakPolarHBondContact O-CB 3.36Å; A127-H131 PolarHBondContact O-N 3.45Å; S128-H131 PolarHBondContact O-N 2.76Å; H131-S133 VanDerWaalsContact C-N 3.29Å; H131-S133 PolarHBondContact O-N 2.82Å; H131-R134 WeakPolarHBondContact O-CB 3.37Å; H131-R134 PolarHBondContact O-N 3.42Å; H131-S135 PolarHBondContact O-N 3.38Å; H131-S135 PolarHBondContact O-OG 3.36Å
132H53Low56.5Low106 Ų10692.3 Ų92.349%0.49151%0.506SS..Hα-helixtrans-58.4-40.4174.3-76.181.5000111.7S128 R134 S135 N136S128-H132 WeakPolarHBondContact O-CB 3.21Å; S128-H132 PolarHBondContact O-N 3.3Å; S128-H132 PolarHBondContact O-ND1 3.01Å; S128-H132 PolarHBondContact OG-CE1 3.19Å; S128-H132 PolarHBondContact OG-ND1 2.8Å; H132-R134 VanDerWaalsContact C-N 3.28Å; H132-R134 PolarHBondContact O-N 2.75Å; H132-S135 WeakPolarHBondContact CA-OG 3.48Å; H132-S135 PolarHBondContact O-N 3.2Å; H132-S135 PolarHBondContact O-OG 2.74Å; H132-N136 PolarHBondContact O-N 2.68Å
133S50.1Low56.2Low42 Ų4290.3 Ų90.329%0.29450%0.501SS..Hα-helixtrans-65.6-27.8175.1-59.30000113.4Q129 V130 H131 Y141Q129-S133 VanDerWaalsContact O-CB 3.3Å; Q129-S133 WeakPolarHBondContact O-CB 3.31Å; Q129-S133 PolarHBondContact O-N 3.36Å; Q129-S133 PolarHBondContact O-OG 3.11Å; V130-S133 PolarHBondContact O-N 3.33Å; H131-S133 VanDerWaalsContact C-N 3.29Å; H131-S133 PolarHBondContact O-N 2.82Å; S133-Y141 WeakPolarHBondContact OG-CD2 3.3Å
134R52.4Low56.1Low211 Ų21195 Ų9580%0.79652%0.521SS*.Hα-helixtrans-82.5-33175.5-71.3-178.576.3-157.43.1112.4V130 H131 H132V130-R134 WeakPolarHBondContact O-CG 3.42Å; V130-R134 PolarHBondContact O-N 3.11Å; V130-R134 VanDerWaalsContact O-N 3.11Å; H131-R134 WeakPolarHBondContact O-CB 3.37Å; H131-R134 PolarHBondContact O-N 3.42Å; H132-R134 VanDerWaalsContact C-N 3.28Å; H132-R134 PolarHBondContact O-N 2.75Å
135S58.5Low55.7Low78 Ų7899.4 Ų99.455%0.54552%0.524SS..Hα-helixtrans-88.9-18-178.9560000114H131 H132H131-S135 PolarHBondContact O-N 3.38Å; H131-S135 PolarHBondContact O-OG 3.36Å; H132-S135 WeakPolarHBondContact CA-OG 3.48Å; H132-S135 PolarHBondContact O-N 3.2Å; H132-S135 PolarHBondContact O-OG 2.74Å
136N49.8Very low55.8Low74 Ų7499.1 Ų99.140%0.39652%0.522SS..  trans-137.689.5177.6-158.65.6000110.4H132 T138 D139H132-N136 PolarHBondContact O-N 2.68Å; N136-T138 PolarHBondContact O-N 3.25Å; N136-T138 PolarHBondContact OD1-OG1 3Å; N136-T138 VanDerWaalsContact OD1-OG1 3.09Å; N136-D139 PolarHBondContact O-N 2.85Å
137P54.4Low55.8Low118 Ų11897.1 Ų97.177%0.76652%0.519SS*.THydrogen-bonded Turntrans-68.5-3.7-171.828-34.9000114.4
138T52.8Low56Low117 Ų117103 Ų10372%0.71853%0.528SS*.THydrogen-bonded Turntrans-95.5-15.5-178.57.90000113.6N136N136-T138 PolarHBondContact O-N 3.25Å; N136-T138 PolarHBondContact OD1-OG1 3Å; N136-T138 VanDerWaalsContact OD1-OG1 3.09Å
139D47.3Very low56.2Low110 Ų110105.2 Ų105.259%0.58854%0.535SS*.SBendtrans-82.8136.5-176.8-130.4-20.8000111.9N136 Y141N136-D139 PolarHBondContact O-N 2.85Å; D139-Y141 PolarHBondContact O-N 3.3Å
140I55.3Low57.2Low132 Ų132109.2 Ų109.268%0.67755%0.547SS*.  trans-77.490.4-163-63.2166.8000109.5
141Y47.2Very low57.7Low90 Ų90110.2 Ų110.235%0.35355%0.547SS..  trans-71.8146.7169.7-165.8-102.5000111.5Q129 S133 D139 S143Q129-Y141 HydrophobicContact CB-CE2 4.21Å; S133-Y141 WeakPolarHBondContact OG-CD2 3.3Å; D139-Y141 PolarHBondContact O-N 3.3Å; Y141-S143 PolarHBondContact O-N 3.32Å
142P49.7Very low58.3Low111 Ų111108.4 Ų108.472%0.72154%0.541SS*.SBendtrans-64.5-9.9-169.5-23.133.8000116.7
143S52.8Low59.3Low60 Ų60110.5 Ų110.542%0.4255%0.548SS..  trans-128.192.3174.253.60000109.7Y141 W145Y141-S143 PolarHBondContact O-N 3.32Å; S143-W145 PolarHBondContact O-N 3.32Å
144K62.3Low60.8Low135 Ų135115.4 Ų115.459%0.58756%0.56SS**THydrogen-bonded Turntrans-61.828.3169.1-73.2-167.8177.8-179.40113.2I146 A147 R148K144-I146 PolarHBondContact O-N 3.47Å; K144-A147 HydrophobicContact CB-CB 4.16Å; K144-A147 CarbonylContact O-C 3.6Å; K144-A147 PolarHBondContact O-N 3.37Å; K144-R148 WeakPolarHBondContact O-CB 3.39Å; K144-R148 PolarHBondContact O-N 2.79Å
145W55Low62Low152 Ų152109.3 Ų109.358%0.57654%0.543SS*.Hα-helixtrans-64.7-39.4-176.574.1-87.6000111.5S143 R148 L149S143-W145 PolarHBondContact O-N 3.32Å; W145-R148 CarbonylContact O-C 3.55Å; W145-R148 PolarHBondContact O-N 3.41Å; W145-L149 HydrophobicContact CE3-CD1 3.37Å; W145-L149 HydrophobicContact CE3-CG 4.25Å; W145-L149 HydrophobicContact CZ3-CD1 3.36Å; W145-L149 WeakPolarHBondContact O-CB 3.3Å; W145-L149 VanDerWaalsContact O-CG 3.31Å; W145-L149 WeakPolarHBondContact O-CG 3.38Å; W145-L149 PolarHBondContact O-N 2.91Å
146I62.7Low62.8Low86 Ų86113.9 Ų113.944%0.44155%0.548SS..Hα-helixtrans-66.2-40.6173.5-59.9179.4000111K144 R148 L149 R150K144-I146 PolarHBondContact O-N 3.47Å; I146-R148 VanDerWaalsContact C-N 3.34Å; I146-L149 PolarHBondContact O-N 3.02Å; I146-R150 WeakPolarHBondContact O-CB 3.39Å; I146-R150 WeakPolarHBondContact O-CG 3.19Å; I146-R150 PolarHBondContact O-N 3.01Å
147A66.8Low63.9Low41 Ų41115.6 Ų115.634%0.33955%0.554SS.*Hα-helixtrans-66.3-38175.200000111.7K144 R150 H151K144-A147 HydrophobicContact CB-CB 4.16Å; K144-A147 CarbonylContact O-C 3.6Å; K144-A147 PolarHBondContact O-N 3.37Å; A147-R150 PolarHBondContact O-N 2.93Å; A147-H151 WeakPolarHBondContact O-CB 3.47Å; A147-H151 PolarHBondContact O-N 3.21Å
148R65.5Low65.1Low185 Ų185115.9 Ų115.970%0.69854%0.54SS*.Hα-helixtrans-69-40.3176.3-163.1163.1-176.6164.1-0.9111.1K144 W145 I146 H151 I152K144-R148 WeakPolarHBondContact O-CB 3.39Å; K144-R148 PolarHBondContact O-N 2.79Å; W145-R148 CarbonylContact O-C 3.55Å; W145-R148 PolarHBondContact O-N 3.41Å; I146-R148 VanDerWaalsContact C-N 3.34Å; R148-H151 PolarHBondContact O-N 2.85Å; R148-I152 HydrophobicContact CG-CD1 4.21Å; R148-I152 WeakPolarHBondContact O-CB 3.43Å; R148-I152 WeakPolarHBondContact O-CD1 3.43Å; R148-I152 WeakPolarHBondContact O-CG1 3.49Å; R148-I152 PolarHBondContact O-N 3.43Å
149L67.8Low66.1Low93 Ų93114.8 Ų114.849%0.48753%0.528SS..Hα-helixtrans-63-44.1171.2-77.2178.3000111.9W145 I146 H151 I152 K153W145-L149 HydrophobicContact CE3-CD1 3.37Å; W145-L149 HydrophobicContact CE3-CG 4.25Å; W145-L149 HydrophobicContact CZ3-CD1 3.36Å; W145-L149 WeakPolarHBondContact O-CB 3.3Å; W145-L149 VanDerWaalsContact O-CG 3.31Å; W145-L149 WeakPolarHBondContact O-CG 3.38Å; W145-L149 PolarHBondContact O-N 2.91Å; I146-L149 PolarHBondContact O-N 3.02Å; L149-H151 VanDerWaalsContact C-N 3.28Å; L149-H151 PolarHBondContact O-N 3.09Å; L149-I152 PolarHBondContact O-N 2.82Å; L149-K153 WeakPolarHBondContact O-CB 3.43Å; L149-K153 PolarHBondContact O-N 3.38Å
150R76.7Confident67.1Low156 Ų156113.6 Ų113.659%0.58953%0.528SS*.Hα-helixtrans-62.9-36173.1-77.1-171.7-74.3-154.60.5112.1I146 A147 R154I146-R150 WeakPolarHBondContact O-CB 3.39Å; I146-R150 WeakPolarHBondContact O-CG 3.19Å; I146-R150 PolarHBondContact O-N 3.01Å; A147-R150 PolarHBondContact O-N 2.93Å; R150-R154 WeakPolarHBondContact O-CB 3.23Å; R150-R154 WeakPolarHBondContact O-CG 3.48Å; R150-R154 PolarHBondContact O-N 2.85Å; R150-R154 PolarHBondContact O-NE 3.28Å
151H70.4Confident67.6Low95 Ų95111.8 Ų111.844%0.4452%0.516SS..Hα-helixtrans-68.9-44.6175.3-169.2-162.5000111.5A147 R148 L149 K153 R154 L155A147-H151 WeakPolarHBondContact O-CB 3.47Å; A147-H151 PolarHBondContact O-N 3.21Å; R148-H151 PolarHBondContact O-N 2.85Å; L149-H151 VanDerWaalsContact C-N 3.28Å; L149-H151 PolarHBondContact O-N 3.09Å; H151-K153 VanDerWaalsContact C-N 3.35Å; H151-K153 PolarHBondContact O-N 2.96Å; H151-R154 PolarHBondContact O-N 3.35Å; H151-L155 VanDerWaalsContact O-CB 3.28Å; H151-L155 WeakPolarHBondContact O-CB 3.33Å; H151-L155 PolarHBondContact O-N 3.13Å
152I73.6Confident68.4Low84 Ų84114 Ų11443%0.43153%0.53SS..Hα-helixtrans-60.2-43.2175.4-70.3163.2000110.7R148 L149 L155 R156R148-I152 HydrophobicContact CG-CD1 4.21Å; R148-I152 WeakPolarHBondContact O-CB 3.43Å; R148-I152 WeakPolarHBondContact O-CD1 3.43Å; R148-I152 WeakPolarHBondContact O-CG1 3.49Å; R148-I152 PolarHBondContact O-N 3.43Å; L149-I152 PolarHBondContact O-N 2.82Å; I152-L155 PolarHBondContact O-N 3.3Å; I152-R156 WeakPolarHBondContact O-CG 3.41Å; I152-R156 PolarHBondContact O-N 2.96Å
153K75.2Confident68.8Low151 Ų151111.9 Ų111.966%0.65752%0.522SS*.Hα-helixtrans-63.5-46.6176.6-171.3173.5-179.9176.10111.7L149 H151 L155 R156 Q157L149-K153 WeakPolarHBondContact O-CB 3.43Å; L149-K153 PolarHBondContact O-N 3.38Å; H151-K153 VanDerWaalsContact C-N 3.35Å; H151-K153 PolarHBondContact O-N 2.96Å; K153-L155 VanDerWaalsContact C-N 3.28Å; K153-L155 PolarHBondContact O-N 3.46Å; K153-R156 PolarHBondContact O-N 3.36Å; K153-Q157 WeakPolarHBondContact O-CB 3.47Å; K153-Q157 PolarHBondContact O-N 2.87Å
154R80.5Confident69.1Low145 Ų145112.8 Ų112.855%0.54753%0.533SS..Hα-helixtrans-63.7-32.6175.2-76.4-177.3-71.8147.8-6.2113R150 H151 R158R150-R154 WeakPolarHBondContact O-CB 3.23Å; R150-R154 WeakPolarHBondContact O-CG 3.48Å; R150-R154 PolarHBondContact O-N 2.85Å; R150-R154 PolarHBondContact O-NE 3.28Å; H151-R154 PolarHBondContact O-N 3.35Å; R154-R158 WeakPolarHBondContact O-CB 3.28Å; R154-R158 WeakPolarHBondContact O-CG 3.38Å; R154-R158 PolarHBondContact O-N 3.4Å; R154-R158 VanDerWaalsContact O-N 3.13Å; R154-R158 PolarHBondContact O-NE 3.3Å
155L78.7Confident68.7Low82 Ų82116.5 Ų116.543%0.42955%0.545SS..Hα-helixtrans-73.4-43.9177.1-172.963.3000111H151 I152 K153 Q157 R158 I159H151-L155 VanDerWaalsContact O-CB 3.28Å; H151-L155 WeakPolarHBondContact O-CB 3.33Å; H151-L155 PolarHBondContact O-N 3.13Å; I152-L155 PolarHBondContact O-N 3.3Å; K153-L155 VanDerWaalsContact C-N 3.28Å; K153-L155 PolarHBondContact O-N 3.46Å; L155-Q157 VanDerWaalsContact C-N 3.31Å; L155-Q157 PolarHBondContact O-N 3.23Å; L155-R158 PolarHBondContact O-N 3.42Å; L155-I159 HydrophobicContact CD1-CD1 4.36Å; L155-I159 HydrophobicContact CG-CD1 3.97Å; L155-I159 WeakPolarHBondContact O-CD1 3.41Å; L155-I159 VanDerWaalsContact O-CG1 3.23Å; L155-I159 WeakPolarHBondContact O-CG1 3.24Å; L155-I159 PolarHBondContact O-N 3.05Å
156R73.6Confident68.5Low175 Ų175114 Ų11466%0.6655%0.551SS**Hα-helixtrans-59.3-42.6173.3-76.2-176.8115.1-113.22.8111.9I152 K153 I159 C160I152-R156 WeakPolarHBondContact O-CG 3.41Å; I152-R156 PolarHBondContact O-N 2.96Å; K153-R156 PolarHBondContact O-N 3.36Å; R156-I159 PolarHBondContact O-N 3.36Å; R156-C160 PolarHBondContact O-N 2.97Å; R156-C160 PolarHBondContact O-SG 3.36Å; R156-C160 VanDerWaalsContact O-SG 3.36Å
157Q73.9Confident67.5Low109 Ų109116.4 Ų116.451%0.50956%0.564SS.*Hα-helixtrans-65.3-44.4179.1-174.5144.8-0.900112.1K153 L155 I159 C160 E161K153-Q157 WeakPolarHBondContact O-CB 3.47Å; K153-Q157 PolarHBondContact O-N 2.87Å; L155-Q157 VanDerWaalsContact C-N 3.31Å; L155-Q157 PolarHBondContact O-N 3.23Å; Q157-I159 VanDerWaalsContact C-N 3.34Å; Q157-I159 PolarHBondContact O-N 3.5Å; Q157-C160 PolarHBondContact O-N 3.13Å; Q157-E161 VanDerWaalsContact CG-OE1 3.26Å; Q157-E161 WeakPolarHBondContact CG-OE1 3.43Å; Q157-E161 PolarHBondContact NE2-OE1 3.36Å; Q157-E161 WeakPolarHBondContact O-CB 3.45Å; Q157-E161 WeakPolarHBondContact O-CG 3.46Å; Q157-E161 PolarHBondContact O-N 3.12Å
158R78.3Confident66.9Low124 Ų124120 Ų12047%0.46858%0.584SS.*Hα-helixtrans-60.5-40.3173.5-78.4-176-74.3169-0113R154 L155 E161 E162R154-R158 WeakPolarHBondContact O-CB 3.28Å; R154-R158 WeakPolarHBondContact O-CG 3.38Å; R154-R158 PolarHBondContact O-N 3.4Å; R154-R158 VanDerWaalsContact O-N 3.13Å; R154-R158 PolarHBondContact O-NE 3.3Å; L155-R158 PolarHBondContact O-N 3.42Å; R158-E161 PolarHBondContact O-N 2.84Å; R158-E162 WeakPolarHBondContact O-CB 3.45Å; R158-E162 PolarHBondContact O-N 3.39Å
159I74Confident65.7Low94 Ų94116.6 Ų116.648%0.48259%0.589SS.*Hα-helixtrans-66.9-40.1177.4-68164.6000111.4L155 R156 Q157 A163L155-I159 HydrophobicContact CD1-CD1 4.36Å; L155-I159 HydrophobicContact CG-CD1 3.97Å; L155-I159 WeakPolarHBondContact O-CD1 3.41Å; L155-I159 VanDerWaalsContact O-CG1 3.23Å; L155-I159 WeakPolarHBondContact O-CG1 3.24Å; L155-I159 PolarHBondContact O-N 3.05Å; R156-I159 PolarHBondContact O-N 3.36Å; Q157-I159 VanDerWaalsContact C-N 3.34Å; Q157-I159 PolarHBondContact O-N 3.5Å; I159-A163 VanDerWaalsContact O-CB 3.24Å; I159-A163 WeakPolarHBondContact O-CB 3.26Å; I159-A163 PolarHBondContact O-N 3.31Å
160C68.4Low64.6Low85 Ų85120 Ų12057%0.57461%0.607SS**Hα-helixtrans-67.4-37.5175.2-710000112.4R156 Q157 A164R156-C160 PolarHBondContact O-N 2.97Å; R156-C160 PolarHBondContact O-SG 3.36Å; R156-C160 VanDerWaalsContact O-SG 3.36Å; Q157-C160 PolarHBondContact O-N 3.13Å; C160-A164 PolarHBondContact O-N 2.92Å; C160-A164 VanDerWaalsContact O-N 3.12Å
161E67.4Low63.2Low94 Ų94118.3 Ų118.344%0.43962%0.616SS.*Hα-helixtrans-68.3-45.8174.9-75.3163.3-170.600111Q157 R158 A163 A164 Y165Q157-E161 VanDerWaalsContact CG-OE1 3.26Å; Q157-E161 WeakPolarHBondContact CG-OE1 3.43Å; Q157-E161 PolarHBondContact NE2-OE1 3.36Å; Q157-E161 WeakPolarHBondContact O-CB 3.45Å; Q157-E161 WeakPolarHBondContact O-CG 3.46Å; Q157-E161 PolarHBondContact O-N 3.12Å; R158-E161 PolarHBondContact O-N 2.84Å; E161-A163 VanDerWaalsContact C-N 3.32Å; E161-A163 PolarHBondContact O-N 3.18Å; E161-A164 WeakPolarHBondContact O-CB 3.26Å; E161-A164 PolarHBondContact O-N 3.28Å; E161-A164 VanDerWaalsContact O-N 3.13Å; E161-Y165 VanDerWaalsContact O-CD2 3.26Å; E161-Y165 WeakPolarHBondContact O-CD2 3.47Å; E161-Y165 PolarHBondContact O-N 3.2Å
162E62.7Low62.2Low138 Ų138119.5 Ų119.565%0.64563%0.625SS**Hα-helixtrans-61.8-36.4174.2-82.7-173.2150.800113R158 A164 Y165 S166R158-E162 WeakPolarHBondContact O-CB 3.45Å; R158-E162 PolarHBondContact O-N 3.39Å; E162-A164 VanDerWaalsContact C-N 3.32Å; E162-A164 PolarHBondContact O-N 3.43Å; E162-Y165 PolarHBondContact O-N 2.95Å; E162-S166 PolarHBondContact O-N 3.39Å; E162-S166 PolarHBondContact O-OG 3.21Å
163A59.2Low60.7Low65 Ų65122.4 Ų122.454%0.53765%0.646SS.*Hα-helixtrans-68.6-28.817500000112.9I159 E161 Y165I159-A163 VanDerWaalsContact O-CB 3.24Å; I159-A163 WeakPolarHBondContact O-CB 3.26Å; I159-A163 PolarHBondContact O-N 3.31Å; E161-A163 VanDerWaalsContact C-N 3.32Å; E161-A163 PolarHBondContact O-N 3.18Å; A163-Y165 VanDerWaalsContact C-N 3.34Å
164A58.6Low59.3Low79 Ų79122 Ų12265%0.65365%0.646SS**Hα-helixtrans-74.5-23.117500000113C160 E161 E162C160-A164 PolarHBondContact O-N 2.92Å; C160-A164 VanDerWaalsContact O-N 3.12Å; E161-A164 WeakPolarHBondContact O-CB 3.26Å; E161-A164 PolarHBondContact O-N 3.28Å; E161-A164 VanDerWaalsContact O-N 3.13Å; E162-A164 VanDerWaalsContact C-N 3.32Å; E162-A164 PolarHBondContact O-N 3.43Å
165Y53.6Low57.7Low213 Ų213120.6 Ų120.684%0.83566%0.656SS**Hα-helixtrans-91.3-15.9175.1-77.7-77.9000114.1E161 E162 A163E161-Y165 VanDerWaalsContact O-CD2 3.26Å; E161-Y165 WeakPolarHBondContact O-CD2 3.47Å; E161-Y165 PolarHBondContact O-N 3.2Å; E162-Y165 PolarHBondContact O-N 2.95Å; A163-Y165 VanDerWaalsContact C-N 3.34Å
166S51.1Low55.8Low101 Ų101122.3 Ų122.371%0.70667%0.672SS**  trans-103.546.7-178.8-63.10000113.7E162E162-S166 PolarHBondContact O-N 3.39Å; E162-S166 PolarHBondContact O-OG 3.21Å
167N41.5Very low54Low135 Ų135118.9 Ų118.972%0.72268%0.675SS**  trans-110.6102166.9-153.9-11.5000109S169N167-S169 PolarHBondContact O-N 3.29Å
168P55Low52.4Low117 Ų117122.1 Ų122.176%0.7669%0.689SS**  trans-87.289.6-179.433.7-28.2000109
169S39.7Very low50.4Low113 Ų113121.3 Ų121.379%0.7970%0.703SS**  trans-161.892.4160.8-74.50000109.9N167N167-S169 PolarHBondContact O-N 3.29Å
170L43.8Very low48.3Very low165 Ų165126.7 Ų126.786%0.86472%0.723SS**  trans-86.9156164.8-94.1174.3000108.8
171P47.3Very low46.7Very low121 Ų121126.8 Ų126.879%0.78673%0.73SS**  -143.4142.77432.8-11.8000118
172L49.2Very low45.8Very low119 Ų119128.2 Ų128.262%0.62375%0.747SS**  58.1106.7128.7-164.670.7000119.7
173V42.3Very low44.3Very low145 Ų145125.3 Ų125.388%0.87975%0.747SS**  trans-137.7120.3139.9-176.20000108.9
174H46Very low43.1Very low144 Ų144131.3 Ų131.367%0.66776%0.764SS**PPolyproline II helixtrans-59.3152.7176.1-66.8135.7000113
175P46.5Very low41.8Very low115 Ų115133.9 Ų133.975%0.74777%0.772SS**PPolyproline II helixtrans-80.2137.1163.331.8-28.8000110.2S177P175-S177 PolarHBondContact O-N 3.06Å
176P39.8Very low41.4Very low117 Ų117129.5 Ų129.576%0.7677%0.77SS**PPolyproline II helixtrans-79.2116.4161.829.7-26.3000109.2
177S36.3Very low40.5Very low103 Ų103129.8 Ų129.872%0.7278%0.778SS**PPolyproline II helixtrans-56124.816050.80000111.4P175P175-S177 PolarHBondContact O-N 3.06Å
178H39.8Very low40.1Very low177 Ų177131.9 Ų131.982%0.81978%0.783SS**  trans-133.8103.2146.9-81.6-69.7000110.3
179S35.4Very low39.8Very low108 Ų108130.6 Ų130.676%0.75578%0.775SS**  trans-27.9129.7152.846.90000115.7
180K31.2Very low39.6Very low206 Ų206131.8 Ų131.890%0.89678%0.777SS**  179.1115.6111.4-139.2164.7177.21780111.5
181A34.3Very low39.7Very low88 Ų88129.6 Ų129.673%0.72777%0.773SS**  trans-93.1170.914700000107.3
182P47.9Very low38.9Very low123 Ų123127.4 Ų127.480%0.79977%0.773SS**  cis-135.7174.124.333.3-8.8000113.4
183A32.7Very low38.2Very low78 Ų78132 Ų13265%0.64578%0.783SS**  178.1150.174.200000114.5
184Q33.4Very low38.1Very low190 Ų190133.4 Ų133.489%0.88878%0.78SS**  trans82.2103.1146.7-71.4168.861.300122.3
185T31.7Very low37.6Very low133 Ų133133 Ų13382%0.81679%0.787SS**  trans-70.6178.3140.329.80000111.8
186P44.8Very low37.5Very low122 Ų122130.6 Ų130.679%0.79278%0.784SS**  cis-138.7168.23.934.9-14.4000116.1
187A32.7Very low37.3Very low106 Ų106133 Ų13388%0.87679%0.785SS**  trans177127.7132.800000112.8
188E32.4Very low37.8Very low180 Ų180140.5 Ų140.584%0.84180%0.797SS**  trans-105.7-175163.5-131.1-153.9135.300107.8
189P48.6Very low38.2Very low89 Ų89140.7 Ų140.758%0.57880%0.796SS**  cis-124.6174.3-48.926.6-6.6000111.8
190T34.5Very low39Very low138 Ų138146.8 Ų146.885%0.84780%0.802SS**  trans161.9156.7133.639.90000114
191P45.8Very low39.6Very low120 Ų120144.9 Ų144.978%0.77980%0.801SS**  trans-97.6135.8-150.736.5-30.6000113.8
192G32.3Very low40.1Very low75 Ų75148 Ų14877%0.77380%0.804SS**  trans-111.9109.3170.700000110.5
193Y33.1Very low39.8Very low215 Ų215146.9 Ų146.984%0.84380%0.799SS**  trans-62.3133.6161.156.6-83.4000108.5
194E39.8Very low40.6Very low175 Ų175147.1 Ų147.182%0.81880%0.796SS**  trans-141.3106.7161.5-104.8-95.2118.600107.8
195V36.9Very low41.3Very low134 Ų134143.9 Ų143.981%0.81279%0.789SS**  trans-72.3127.7168.9147.40000108.1
196G44.4Very low42.1Very low66 Ų66145.4 Ų145.468%0.6879%0.787SS**  trans79.784.3144.600000118
197Q35.1Very low42.2Very low167 Ų167146.8 Ų146.878%0.7879%0.787SS**  trans-136.7109.2142.5-83.8-172.3-45.300110.2K199Q197-K199 PolarHBondContact O-N 3.22Å
198R47.4Very low42.7Very low260 Ų260151.2 Ų151.298%0.98179%0.788SS**  trans-58.295.2166.8-80.6175.2161138.9-5.7108.9R200R198-R200 PolarHBondContact O-N 3.33Å
199K47.5Very low43.9Very low182 Ų182148.5 Ų148.579%0.79178%0.783SS**  trans-74.4112.1166.8-69.3-179.4177.5177.80107.9Q197 L201Q197-K199 PolarHBondContact O-N 3.22Å; K199-L201 PolarHBondContact O-N 3.11Å
200R52.5Low43.7Very low235 Ų235153 Ų15389%0.88780%0.796SS**  trans-54.2103.2159.6-93.4-175-177.1-1801.7106.9R198 I202R198-R200 PolarHBondContact O-N 3.33Å; R200-I202 VanDerWaalsContact C-N 3.32Å; R200-I202 PolarHBondContact O-N 2.97Å; R200-I202 VanDerWaalsContact O-N 3.09Å
201L43.1Very low43.8Very low166 Ų166156.5 Ų156.587%0.86980%0.801SS**  trans-72.299.2159.5-84.3159.3000106.1K199 S203K199-L201 PolarHBondContact O-N 3.11Å; L201-S203 PolarHBondContact O-N 2.89Å
202I45.3Very low43.6Very low154 Ų154161.3 Ų161.379%0.7983%0.827SS**  trans-62.390.5158.2-57.8162.6000104.1R200 S204R200-I202 VanDerWaalsContact C-N 3.32Å; R200-I202 PolarHBondContact O-N 2.97Å; R200-I202 VanDerWaalsContact O-N 3.09Å; I202-S204 PolarHBondContact O-N 3.09Å; I202-S204 VanDerWaalsContact O-N 3.11Å
203S41.3Very low44.2Very low99 Ų99165.7 Ų165.769%0.69283%0.83SS**  trans-64.4108.5166-179.50000105.6L201 V205L201-S203 PolarHBondContact O-N 2.89Å; S203-V205 PolarHBondContact O-N 3.4Å
204S49.2Very low44.8Very low84 Ų84163.1 Ų163.159%0.58783%0.829SS**  trans-47.8115.5167.5169.10000108I202 E206I202-S204 PolarHBondContact O-N 3.09Å; I202-S204 VanDerWaalsContact O-N 3.11Å; S204-E206 VanDerWaalsContact C-N 3.29Å; S204-E206 PolarHBondContact O-N 2.9Å
205V48.2Very low45Very low121 Ų121162.4 Ų162.473%0.73383%0.83SS**  trans-78.585.8167.8164.20000105S203S203-V205 PolarHBondContact O-N 3.4Å
206E49.8Very low45.5Very low166 Ų166164.1 Ų164.178%0.77683%0.831SS**  trans-171.776.9165.9-92.6122.4-169.700109S204S204-E206 VanDerWaalsContact C-N 3.29Å; S204-E206 PolarHBondContact O-N 2.9Å
207D45.9Very low45.6Very low150 Ų150170.2 Ų170.280%0.80284%0.84SS**  trans-15160.1147.1-1455.9000109.1
208F44.3Very low46.3Very low200 Ų200170.4 Ų170.488%0.87784%0.844SS**  trans-110.263.5170.7-89.7-78.8000108.9
209T56.7Low46.2Very low123 Ų123164 Ų16476%0.75584%0.835SS**  trans-148.765.2164.250.30000111
210E45.1Very low46.1Very low182 Ų182162.6 Ų162.685%0.8584%0.838SS**  trans-160.271.4151.7-128.2-179.2-173.100112.3
211F36.6Very low45.5Very low213 Ų213156.6 Ų156.693%0.93483%0.834SS**  trans-151.286156.3-85.7-74.9000109.5
212V41.3Very low45.8Very low221 Ų221155.7 Ų155.7100%1.33983%0.831SS**  trans-142.50139.3177.80000107.3

Retrieved 212 of 212 residues in 66.9 ms (Link to these results)