A0A061IET8_CRIGR Loading...

60S ribosomal protein L13

AlphaFold DB , UniProt , Accession A0A061IET8, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene n/a, Length 211 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M66.1Low89.5Confident244 Ų244151.5 Ų151.5100%1.20282%0.817SS**  0121.80-80.4176.7151.300107.5
2A83.6Confident90Very high95 Ų95144.3 Ų144.379%0.78578%0.783SS**PPolyproline II helixtrans-63.7139.5170.500000108.9
3P88.9Confident90.5Very high130 Ų130145.9 Ų145.984%0.84478%0.782SS**PPolyproline II helixtrans-60.7139.7174.826.1-32.9000110.2
4S92Very high90.9Very high98 Ų98145.1 Ų145.169%0.68577%0.769SS**PPolyproline II helixtrans-98.7167172.1-175.30000110.4N6S4-N6 PolarHBondContact O-N 3.26Å
5R90.9Very high91.2Very high254 Ų254146.6 Ų146.696%0.95877%0.769SS**SBendtrans2.3-96.5-179.5-65.3-176.1-179.8178.50114.3
6N91.3Very high91.6Very high161 Ų161147.8 Ų147.886%0.86177%0.766SS**SBendtrans-128.3122.8177.4-172.86.2000109.4S4S4-N6 PolarHBondContact O-N 3.26Å
7G92.1Very high91.9Very high56 Ų56144.2 Ų144.258%0.57775%0.748SS**  trans-157.4162.5-179.600000111.4
8M94.8Very high92.2Very high166 Ų166142.4 Ų142.482%0.81873%0.73SS**  trans-68.6137.6-178.8-161.7171.4-161.800110.8L10M8-L10 HydrophobicContact CB-CD2 4.11Å; M8-L10 HydrophobicContact CG-CD2 4.26Å; M8-L10 PolarHBondContact O-N 3.25Å; M8-L10 HydrophobicContact SD-CD2 4.37Å
9I93.3Very high92.5Very high162 Ų162142.3 Ų142.383%0.83173%0.726SS**  trans-71.5100.5169.7-60.2171.9000107.8
10L95.6Very high92.7Very high130 Ų130145.8 Ų145.868%0.68173%0.73SS**  trans-86.5144.8178.6-58.1179.5000110.7M8 P12M8-L10 HydrophobicContact CB-CD2 4.11Å; M8-L10 HydrophobicContact CG-CD2 4.26Å; M8-L10 PolarHBondContact O-N 3.25Å; M8-L10 HydrophobicContact SD-CD2 4.37Å; L10-P12 VanDerWaalsContact C-CD 3.42Å; L10-P12 WeakPolarHBondContact O-CD 3.32Å
11K96.3Very high92.9Very high171 Ų171146.9 Ų146.974%0.74373%0.726SS**  trans-116.974.2168.3-65.8-172177.9-175.20109.6H13K11-H13 PolarHBondContact O-CE1 3.27Å; K11-H13 VanDerWaalsContact O-CE1 3.28Å; K11-H13 PolarHBondContact O-N 3.19Å; K11-H13 PolarHBondContact O-ND1 3.42Å
12P95.6Very high94.4Very high64 Ų64139 Ų13942%0.41669%0.691SS.*  trans-69.5121.3179.927.3-32.5000110.5L10 F14 H15L10-P12 VanDerWaalsContact C-CD 3.42Å; L10-P12 WeakPolarHBondContact O-CD 3.32Å; P12-F14 HydrophobicContact CB-CD2 3.81Å; P12-F14 HydrophobicContact CB-CE2 4.31Å; P12-F14 PolarHBondContact O-N 3.41Å; P12-H15 PolarHBondContact O-CD2 3.02Å; P12-H15 VanDerWaalsContact O-CD2 3.26Å; P12-H15 PolarHBondContact O-NE2 2.9Å; P12-H15 VanDerWaalsContact O-NE2 3.11Å
13H96.6Very high95Very high166 Ų166141.1 Ų141.177%0.76969%0.689SS**  trans-86.851.4-178-68.358000111.7K11K11-H13 PolarHBondContact O-CE1 3.27Å; K11-H13 VanDerWaalsContact O-CE1 3.28Å; K11-H13 PolarHBondContact O-N 3.19Å; K11-H13 PolarHBondContact O-ND1 3.42Å
14F96.3Very high95.5Very high135 Ų135138.8 Ų138.859%0.59267%0.673SS**  trans-110.120-179.6-61.4-60.9000112.9P12 W18P12-F14 HydrophobicContact CB-CD2 3.81Å; P12-F14 HydrophobicContact CB-CE2 4.31Å; P12-F14 PolarHBondContact O-N 3.41Å; F14-W18 AromaticContact CD1-CD1 3.92Å; F14-W18 HydrophobicContact CD1-CD2 4.02Å; F14-W18 AromaticContact CD1-CE2 4Å; F14-W18 AromaticContact CD1-CG 3.98Å; F14-W18 HydrophobicContact CD1-CG 3.98Å; F14-W18 AromaticContact CD1-NE1 3.92Å
15H95.5Very high95.7Very high167 Ų167141.9 Ų141.977%0.77367%0.669SS**  trans-80.9-11.8-176-60-69.9000115P12P12-H15 PolarHBondContact O-CD2 3.02Å; P12-H15 VanDerWaalsContact O-CD2 3.26Å; P12-H15 PolarHBondContact O-NE2 2.9Å; P12-H15 VanDerWaalsContact O-NE2 3.11Å
16K97Very high96.1Very high165 Ų165138.1 Ų138.172%0.71766%0.66SS**SBendtrans-98.6167.7173.7-63.7-175.1179.5-176.70109.2W18K16-W18 VanDerWaalsContact O-CD1 3.3Å; K16-W18 PolarHBondContact O-N 3.35Å
17D96.6Very high96.4Very high88 Ų88134 Ų13447%0.47164%0.638SS.*  trans-65.483.1168.8-179.620.5000110.6R20 R21D17-R20 PolarHBondContact OD1-N 2.91Å; D17-R20 WeakPolarHBondContact OD2-CB 3.32Å; D17-R20 WeakPolarHBondContact OD2-CD 3.4Å; D17-R21 PolarHBondContact O-NE 2.9Å; D17-R21 PolarHBondContact O-NH2 2.92Å
18W97.3Very high96.7Very high112 Ų112135.4 Ų135.442%0.42463%0.63SS.*  trans-87.1-28.5179.267.1-93.6000110.9F14 K16 R20 R21 V22F14-W18 AromaticContact CD1-CD1 3.92Å; F14-W18 HydrophobicContact CD1-CD2 4.02Å; F14-W18 AromaticContact CD1-CE2 4Å; F14-W18 AromaticContact CD1-CG 3.98Å; F14-W18 HydrophobicContact CD1-CG 3.98Å; F14-W18 AromaticContact CD1-NE1 3.92Å; K16-W18 VanDerWaalsContact O-CD1 3.3Å; K16-W18 PolarHBondContact O-N 3.35Å; W18-R20 VanDerWaalsContact C-N 3.27Å; W18-R20 PolarHBondContact O-N 3.48Å; W18-R21 CarbonylContact O-C 3.44Å; W18-R21 PolarHBondContact O-N 3.23Å; W18-V22 HydrophobicContact CE3-CG2 3.67Å; W18-V22 HydrophobicContact CZ3-CG2 3.67Å; W18-V22 WeakPolarHBondContact O-CG2 3.44Å
19Q97.3Very high96.9Very high140 Ų140131.2 Ų131.265%0.65462%0.615SS**G310 helixtrans-61.4-35.9-179.1-65.6-176.19.500111.4R21 V22Q19-R21 PolarHBondContact O-N 3.49Å; Q19-V22 WeakPolarHBondContact O-CG2 3.27Å
20R97.6Very high97.1Very high211 Ų211126.4 Ų126.480%0.79660%0.599SS**G310 helixtrans-63.7-23.7172.4-175.8174.7178-178.81.9114.6D17 W18D17-R20 PolarHBondContact OD1-N 2.91Å; D17-R20 WeakPolarHBondContact OD2-CB 3.32Å; D17-R20 WeakPolarHBondContact OD2-CD 3.4Å; W18-R20 VanDerWaalsContact C-N 3.27Å; W18-R20 PolarHBondContact O-N 3.48Å
21R96.8Very high97.3Very high169 Ų169123.7 Ų123.764%0.63858%0.58SS**G310 helixtrans-115.136.2-174.5-68.6172.6-72.4-173.6-7.1112.2D17 W18 Q19 D23D17-R21 PolarHBondContact O-NE 2.9Å; D17-R21 PolarHBondContact O-NH2 2.92Å; W18-R21 CarbonylContact O-C 3.44Å; W18-R21 PolarHBondContact O-N 3.23Å; Q19-R21 PolarHBondContact O-N 3.49Å; R21-D23 PolarHBondContact O-N 3.48Å
22V97.6Very high97.4Very high78 Ų78121.7 Ų121.747%0.47357%0.571SS.*  trans-85.3105.8176178.30000109.8W18 Q19 T24W18-V22 HydrophobicContact CE3-CG2 3.67Å; W18-V22 HydrophobicContact CZ3-CG2 3.67Å; W18-V22 WeakPolarHBondContact O-CG2 3.44Å; Q19-V22 WeakPolarHBondContact O-CG2 3.27Å; V22-T24 HydrophobicContact CG1-CG2 4.32Å; V22-T24 PolarHBondContact O-N 3.31Å
23D97.1Very high97.5Very high140 Ų140123.3 Ų123.375%0.74958%0.576SS**  trans-80.3108.1170-78.2-30.7000110.5R21R21-D23 PolarHBondContact O-N 3.48Å
24T97.4Very high97.6Very high81 Ų81123.5 Ų123.550%0.49757%0.57SS.*  trans-82.1146.7171.565.20000111.2V22 F26V22-T24 HydrophobicContact CG1-CG2 4.32Å; V22-T24 PolarHBondContact O-N 3.31Å; T24-F26 HydrophobicContact CG2-CD2 4.3Å; T24-F26 HydrophobicContact CG2-CE2 3.87Å; T24-F26 WeakPolarHBondContact OG1-CD2 2.85Å
25W98.1Very high97.7Very high163 Ų163124 Ų12462%0.61757%0.567SS**  trans-102.819.8-175.9-67.882.7000113.6N27 Q28W25-N27 PolarHBondContact O-N 2.94Å; W25-N27 VanDerWaalsContact O-N 3.16Å; W25-Q28 WeakPolarHBondContact O-CB 3.43Å; W25-Q28 PolarHBondContact O-N 3.35Å
26F98.3Very high97.9Very high176 Ų176123.5 Ų123.577%0.77256%0.559SS**THydrogen-bonded Turntrans-59.9-26.6177.7-57-50.2000113T24 Q28 P29T24-F26 HydrophobicContact CG2-CD2 4.3Å; T24-F26 HydrophobicContact CG2-CE2 3.87Å; T24-F26 WeakPolarHBondContact OG1-CD2 2.85Å; F26-Q28 PolarHBondContact O-N 3.23Å; F26-P29 WeakPolarHBondContact O-CD 3.47Å
27N98.1Very high97.9Very high75 Ų75122.3 Ų122.340%0.40155%0.554SS.*THydrogen-bonded Turntrans-76.8-2.817667.613.3000114.4W25 A30 R31W25-N27 PolarHBondContact O-N 2.94Å; W25-N27 VanDerWaalsContact O-N 3.16Å; N27-A30 PolarHBondContact O-N 3.48Å; N27-R31 PolarHBondContact ND2-NH2 3.11Å; N27-R31 VanDerWaalsContact ND2-NH2 3.1Å; N27-R31 VanDerWaalsContact O-CB 3.29Å; N27-R31 WeakPolarHBondContact O-CB 3.34Å; N27-R31 PolarHBondContact O-N 2.9Å; N27-R31 PolarHBondContact OD1-NH2 3.04Å
28Q98.4Very high98Very high84 Ų84121 Ų12139%0.39356%0.555SS.*Hα-helixtrans-57.5-50.5-176.5-167.2-163.592.300113.7W25 F26 R31 K32W25-Q28 WeakPolarHBondContact O-CB 3.43Å; W25-Q28 PolarHBondContact O-N 3.35Å; F26-Q28 PolarHBondContact O-N 3.23Å; Q28-R31 PolarHBondContact O-N 3.08Å; Q28-K32 WeakPolarHBondContact O-CG 3.27Å; Q28-K32 PolarHBondContact O-N 2.91Å
29P98.5Very high98Very high78 Ų78122.9 Ų122.951%0.50656%0.562SS.*Hα-helixtrans-61.6-44.7177.122.5-34000112.6F26 R31 K32 I33F26-P29 WeakPolarHBondContact O-CD 3.47Å; P29-R31 VanDerWaalsContact C-N 3.3Å; P29-R31 PolarHBondContact O-N 3.46Å; P29-K32 WeakPolarHBondContact O-CB 3.35Å; P29-K32 PolarHBondContact O-N 3.27Å; P29-K32 VanDerWaalsContact O-N 3.08Å; P29-I33 PolarHBondContact O-N 3.08Å
30A98.5Very high98Very high61 Ų61119.9 Ų119.950%0.50455%0.548SS..Hα-helixtrans-59.2-4217600000111.6N27 K32 I33 R34N27-A30 PolarHBondContact O-N 3.48Å; A30-K32 PolarHBondContact O-N 3.42Å; A30-I33 PolarHBondContact O-N 3.1Å; A30-R34 WeakPolarHBondContact O-CB 3.45Å; A30-R34 PolarHBondContact O-N 2.71Å
31R98.4Very high98Very high74 Ų74112.6 Ų112.628%0.27953%0.533SS..Hα-helixtrans-64.6-37.1175.5-164.3-173.9-64.6177.3-2.6112N27 Q28 P29 R35N27-R31 PolarHBondContact ND2-NH2 3.11Å; N27-R31 VanDerWaalsContact ND2-NH2 3.1Å; N27-R31 VanDerWaalsContact O-CB 3.29Å; N27-R31 WeakPolarHBondContact O-CB 3.34Å; N27-R31 PolarHBondContact O-N 2.9Å; N27-R31 PolarHBondContact OD1-NH2 3.04Å; Q28-R31 PolarHBondContact O-N 3.08Å; P29-R31 VanDerWaalsContact C-N 3.3Å; P29-R31 PolarHBondContact O-N 3.46Å; R31-R35 WeakPolarHBondContact O-CB 3.45Å; R31-R35 VanDerWaalsContact O-CG 3.27Å; R31-R35 WeakPolarHBondContact O-CG 3.48Å; R31-R35 PolarHBondContact O-N 2.9Å
32K98.6Very high97.9Very high128 Ų128109.1 Ų109.156%0.55752%0.522SS*.Hα-helixtrans-63.3-47.8174.4-74.7174.5179.81700111Q28 P29 A30 R35 R36Q28-K32 WeakPolarHBondContact O-CG 3.27Å; Q28-K32 PolarHBondContact O-N 2.91Å; P29-K32 WeakPolarHBondContact O-CB 3.35Å; P29-K32 PolarHBondContact O-N 3.27Å; P29-K32 VanDerWaalsContact O-N 3.08Å; A30-K32 PolarHBondContact O-N 3.42Å; K32-R35 PolarHBondContact O-N 3.38Å; K32-R36 PolarHBondContact O-N 2.96Å
33I98.6Very high97.9Very high99 Ų99106.1 Ų106.151%0.50851%0.506SS..Hα-helixtrans-61.8-48.9177.5-65.8170.3000110.6P29 A30 R35 R36 K37P29-I33 PolarHBondContact O-N 3.08Å; A30-I33 PolarHBondContact O-N 3.1Å; I33-R35 PolarHBondContact O-N 2.96Å; I33-R36 WeakPolarHBondContact O-CB 2.74Å; I33-R36 PolarHBondContact O-N 3.47Å; I33-R36 VanDerWaalsContact O-N 3.08Å; I33-K37 HydrophobicContact CG2-CD 4.27Å; I33-K37 HydrophobicContact CG2-CG 4.44Å; I33-K37 PolarHBondContact O-N 2.94Å
34R98.6Very high97.8Very high170 Ų170108.6 Ų108.664%0.64251%0.505SS*.Hα-helixtrans-55.7-47.8177.5-175.1174.864.3129.6-5.2111.9A30 R36 K37 A38A30-R34 WeakPolarHBondContact O-CB 3.45Å; A30-R34 PolarHBondContact O-N 2.71Å; R34-R36 VanDerWaalsContact C-N 3.33Å; R34-R36 PolarHBondContact O-N 3.45Å; R34-K37 PolarHBondContact O-N 3.4Å; R34-A38 WeakPolarHBondContact O-CB 3.43Å; R34-A38 PolarHBondContact O-N 2.78Å
35R98.4Very high97.8Very high144 Ų144114.4 Ų114.454%0.54352%0.518SS..Hα-helixtrans-63.8-35.7176.8-72.9174.3176.6178.6-0.8112.3R31 K32 I33 R39R31-R35 WeakPolarHBondContact O-CB 3.45Å; R31-R35 VanDerWaalsContact O-CG 3.27Å; R31-R35 WeakPolarHBondContact O-CG 3.48Å; R31-R35 PolarHBondContact O-N 2.9Å; K32-R35 PolarHBondContact O-N 3.38Å; I33-R35 PolarHBondContact O-N 2.96Å; R35-R39 WeakPolarHBondContact O-CB 3.43Å; R35-R39 WeakPolarHBondContact O-CG 3.36Å; R35-R39 PolarHBondContact O-N 2.87Å; R35-R39 PolarHBondContact O-NE 3.4Å
36R98.2Very high97.7Very high158 Ų158108.3 Ų108.360%0.59650%0.497SS*.Hα-helixtrans-65.1-51.4175.4-179.5-178.11771780.8111.3K32 I33 R34 A38 R39 Q40K32-R36 PolarHBondContact O-N 2.96Å; I33-R36 WeakPolarHBondContact O-CB 2.74Å; I33-R36 PolarHBondContact O-N 3.47Å; I33-R36 VanDerWaalsContact O-N 3.08Å; R34-R36 VanDerWaalsContact C-N 3.33Å; R34-R36 PolarHBondContact O-N 3.45Å; R36-A38 VanDerWaalsContact C-N 3.35Å; R36-A38 PolarHBondContact O-N 3.36Å; R36-R39 WeakPolarHBondContact O-CB 3.41Å; R36-R39 PolarHBondContact O-N 3.2Å; R36-R39 VanDerWaalsContact O-N 3.16Å; R36-Q40 WeakPolarHBondContact O-CG 3.23Å; R36-Q40 PolarHBondContact O-N 2.68Å
37K98.4Very high97.4Very high139 Ų139102.8 Ų102.860%0.60448%0.484SS*.Hα-helixtrans-58.6-45.1178.1-70.3-175.3177-175.40111.3I33 R34 R39 Q40 A41I33-K37 HydrophobicContact CG2-CD 4.27Å; I33-K37 HydrophobicContact CG2-CG 4.44Å; I33-K37 PolarHBondContact O-N 2.94Å; R34-K37 PolarHBondContact O-N 3.4Å; K37-R39 VanDerWaalsContact C-N 3.34Å; K37-R39 PolarHBondContact O-N 2.98Å; K37-Q40 PolarHBondContact O-N 3.42Å; K37-A41 WeakPolarHBondContact O-CB 3.4Å; K37-A41 PolarHBondContact O-N 3.42Å
38A97.9Very high97.2Very high60 Ų60101.9 Ų101.950%0.49648%0.482SS..Hα-helixtrans-61.3-39.3176.300000113R34 R36 K42R34-A38 WeakPolarHBondContact O-CB 3.43Å; R34-A38 PolarHBondContact O-N 2.78Å; R36-A38 VanDerWaalsContact C-N 3.35Å; R36-A38 PolarHBondContact O-N 3.36Å; A38-K42 WeakPolarHBondContact O-CB 3.44Å; A38-K42 PolarHBondContact O-N 3.16Å
39R97.2Very high97.1Very high153 Ų153105.4 Ų105.458%0.57749%0.491SS*.Hα-helixtrans-64.9-42.9174.3-79.9-176.8-109.7114.3-6.4112.1R35 R36 K37 K42 A43R35-R39 WeakPolarHBondContact O-CB 3.43Å; R35-R39 WeakPolarHBondContact O-CG 3.36Å; R35-R39 PolarHBondContact O-N 2.87Å; R35-R39 PolarHBondContact O-NE 3.4Å; R36-R39 WeakPolarHBondContact O-CB 3.41Å; R36-R39 PolarHBondContact O-N 3.2Å; R36-R39 VanDerWaalsContact O-N 3.16Å; K37-R39 VanDerWaalsContact C-N 3.34Å; K37-R39 PolarHBondContact O-N 2.98Å; R39-K42 PolarHBondContact O-N 3.02Å; R39-A43 WeakPolarHBondContact O-CB 3.36Å; R39-A43 PolarHBondContact O-N 3.41Å
40Q96.8Very high96.9Very high76 Ų76103.6 Ų103.636%0.35548%0.479SS..Hα-helixtrans-64.3-45.3176.9-71.4170.1-29.100111.7R36 K37 K42 A43 R44R36-Q40 WeakPolarHBondContact O-CG 3.23Å; R36-Q40 PolarHBondContact O-N 2.68Å; K37-Q40 PolarHBondContact O-N 3.42Å; Q40-K42 PolarHBondContact O-N 3.23Å; Q40-A43 PolarHBondContact O-N 3.38Å; Q40-R44 WeakPolarHBondContact O-CG 3.33Å; Q40-R44 PolarHBondContact O-N 3.45Å
41A97.4Very high96.6Very high59 Ų59102.2 Ų102.249%0.48847%0.468SS..Hα-helixtrans-60-44.6175.700000111.7K37 A43 R44 R45K37-A41 WeakPolarHBondContact O-CB 3.4Å; K37-A41 PolarHBondContact O-N 3.42Å; A41-A43 VanDerWaalsContact C-N 3.35Å; A41-A43 PolarHBondContact O-N 3.14Å; A41-R44 PolarHBondContact O-N 3.49Å; A41-R45 WeakPolarHBondContact O-CB 3.34Å; A41-R45 PolarHBondContact O-N 2.93Å
42K96.6Very high96.3Very high95 Ų95102 Ų10241%0.41348%0.478SS..Hα-helixtrans-59.7-44.4174.4-178-173174.7-166.40111.8A38 R39 Q40 R45 I46A38-K42 WeakPolarHBondContact O-CB 3.44Å; A38-K42 PolarHBondContact O-N 3.16Å; R39-K42 PolarHBondContact O-N 3.02Å; Q40-K42 PolarHBondContact O-N 3.23Å; K42-R45 PolarHBondContact O-N 3.25Å; K42-I46 WeakPolarHBondContact O-CG1 3.35Å; K42-I46 PolarHBondContact O-N 3.31Å
43A96.3Very high96.1Very high15 Ų1597 Ų9712%0.12446%0.462CS..Hα-helixtrans-62.2-45.9-178.600000111.8R39 Q40 A41 I46 A47 A51 Q149R39-A43 WeakPolarHBondContact O-CB 3.36Å; R39-A43 PolarHBondContact O-N 3.41Å; Q40-A43 PolarHBondContact O-N 3.38Å; A41-A43 VanDerWaalsContact C-N 3.35Å; A41-A43 PolarHBondContact O-N 3.14Å; A43-I46 PolarHBondContact O-N 2.95Å; A43-A47 PolarHBondContact O-N 2.89Å; A43-A51 HydrophobicContact CB-CB 3.75Å; A43-Q149 PolarHBondContact O-NE2 3.35Å
44R96.3Very high96Very high193 Ų19394.9 Ų94.973%0.72846%0.455SS*.Hα-helixtrans-61.4-44.4174.9-67.5177.7-171.4149.2-1.3112Q40 A41 I46 A47Q40-R44 WeakPolarHBondContact O-CG 3.33Å; Q40-R44 PolarHBondContact O-N 3.45Å; A41-R44 PolarHBondContact O-N 3.49Å; R44-I46 VanDerWaalsContact C-N 3.29Å; R44-I46 PolarHBondContact O-N 2.92Å; R44-A47 PolarHBondContact O-N 3.38Å
45R97.2Very high95.9Very high203 Ų20386.9 Ų86.977%0.76643%0.425SS*.Hα-helixtrans-60.7-33.3-178.3-176174.966.4179.11.9114.1A41 K42A41-R45 WeakPolarHBondContact O-CB 3.34Å; A41-R45 PolarHBondContact O-N 2.93Å; K42-R45 PolarHBondContact O-N 3.25Å
46I95.3Very high95.9Very high35 Ų3585.1 Ų85.118%0.17942%0.418CS..THydrogen-bonded Turntrans-103.84.5-173.571.4178.2000113.8K42 A43 R44 R49K42-I46 WeakPolarHBondContact O-CG1 3.35Å; K42-I46 PolarHBondContact O-N 3.31Å; A43-I46 PolarHBondContact O-N 2.95Å; R44-I46 VanDerWaalsContact C-N 3.29Å; R44-I46 PolarHBondContact O-N 2.92Å; I46-R49 HydrophobicContact CB-CB 4.5Å; I46-R49 HydrophobicContact CD1-CB 4.47Å; I46-R49 HydrophobicContact CG1-CB 4.36Å; I46-R49 VanDerWaalsContact O-CB 3.25Å; I46-R49 WeakPolarHBondContact O-CB 3.37Å; I46-R49 WeakPolarHBondContact O-CG 3.5Å; I46-R49 PolarHBondContact O-N 3.28Å
47A92.8Very high95.9Very high60 Ų6077.6 Ų77.650%0.49639%0.39SS..THydrogen-bonded Turntrans-50.9135.6177.100000110.1A43 R44A43-A47 PolarHBondContact O-N 2.89Å; R44-A47 PolarHBondContact O-N 3.38Å
48P93.4Very high95.9Very high55 Ų5573.5 Ų73.536%0.35737%0.374SS..THydrogen-bonded Turncis-87.64.59.733.8-35.8000115.6F127P48-F127 HydrophobicContact CB-CZ 4.46Å; P48-F127 HydrophobicContact CG-CD2 4.24Å; P48-F127 HydrophobicContact CG-CE1 4.31Å; P48-F127 HydrophobicContact CG-CE2 3.84Å; P48-F127 HydrophobicContact CG-CZ 3.88Å
49R95.5Very high95.9Very high159 Ų15971.9 Ų71.960%0.636%0.358SS*.SBendtrans-65.5149.5-172.3-57-178.6-173.790.4-1.4112.9I46 A51 Q149I46-R49 HydrophobicContact CB-CB 4.5Å; I46-R49 HydrophobicContact CD1-CB 4.47Å; I46-R49 HydrophobicContact CG1-CB 4.36Å; I46-R49 VanDerWaalsContact O-CB 3.25Å; I46-R49 WeakPolarHBondContact O-CB 3.37Å; I46-R49 WeakPolarHBondContact O-CG 3.5Å; I46-R49 PolarHBondContact O-N 3.28Å; R49-A51 PolarHBondContact O-N 3.49Å; R49-Q149 PolarHBondContact O-NE2 2.81Å
50P95.6Very high95.8Very high39 Ų3971.8 Ų71.825%0.25336%0.358SS..  trans-57.7131175.4-25.934.7000113.8S52 G53 L150 V154P50-S52 VanDerWaalsContact C-N 3.25Å; P50-S52 PolarHBondContact O-N 3.21Å; P50-G53 PolarHBondContact O-N 3.43Å; P50-G53 VanDerWaalsContact O-N 3.11Å; P50-L150 HydrophobicContact CB-CB 4.35Å; P50-L150 HydrophobicContact CG-CB 4.38Å; P50-V154 HydrophobicContact CB-CG2 3.57Å; P50-V154 HydrophobicContact CG-CG2 3.81Å
51A91.8Very high95.8Very high33 Ų3369.2 Ų69.227%0.27335%0.348SS..THydrogen-bonded Turntrans-63.2-29.4-176.500000113.8A43 R49 G53A43-A51 HydrophobicContact CB-CB 3.75Å; R49-A51 PolarHBondContact O-N 3.49Å; A51-G53 PolarHBondContact O-N 2.84Å
52S91.3Very high95.8Very high70 Ų7072.1 Ų72.149%0.4936%0.362SS..THydrogen-bonded Turntrans-69.4-12.7178.5-176.20000113.5P50 G152P50-S52 VanDerWaalsContact C-N 3.25Å; P50-S52 PolarHBondContact O-N 3.21Å; S52-G152 WeakPolarHBondContact CB-O 3.36Å
53G93.9Very high95.8Very high21 Ų2171 Ų7122%0.21636%0.363CS..  trans86.3-158.2-178.400000113.5P50 A51P50-G53 PolarHBondContact O-N 3.43Å; P50-G53 VanDerWaalsContact O-N 3.11Å; A51-G53 PolarHBondContact O-N 2.84Å
54P96.7Very high95.9Very high55 Ų5576.6 Ų76.636%0.35740%0.395SS..SBendtrans-71.7151.8-168.729.1-36.1000113.2G95P54-G95 CarbonylContact C-O 3.39Å; P54-G95 WeakPolarHBondContact CA-O 3.43Å; P54-G95 WeakPolarHBondContact CB-O 3.45Å
55I97.6Very high96Very high2 Ų276.7 Ų76.71%0.0140%0.396CS..BIsolated β-bridgetrans-62.2139.9175.8-174.1169.9000110.7F76 G95 I96 S97 R116 Y120 V154 M155I55-F76 HydrophobicContact CG1-CE2 4.41Å; I55-F76 HydrophobicContact CG1-CZ 4.49Å; I55-F76 HydrophobicContact CG2-CE2 4.01Å; I55-G95 PolarHBondContact N-O 3.37Å; I55-I96 HydrophobicContact CG2-CB 4.44Å; I55-I96 HydrophobicContact CG2-CG1 4.07Å; I55-S97 WeakPolarHBondContact O-CB 3.4Å; I55-S97 PolarHBondContact O-N 3.34Å; I55-S97 PolarHBondContact O-OG 3.45Å; I55-R116 HydrophobicContact CD1-CG 4.12Å; I55-Y120 HydrophobicContact CB-CD2 4.17Å; I55-Y120 HydrophobicContact CB-CE2 4.22Å; I55-Y120 HydrophobicContact CD1-CD2 3.78Å; I55-Y120 HydrophobicContact CD1-CG 3.93Å; I55-Y120 HydrophobicContact CG2-CD1 3.9Å; I55-Y120 HydrophobicContact CG2-CD2 3.99Å; I55-Y120 HydrophobicContact CG2-CE1 3.94Å; I55-Y120 HydrophobicContact CG2-CE2 4.06Å; I55-Y120 HydrophobicContact CG2-CG 3.9Å; I55-V154 HydrophobicContact CB-CG1 4.34Å; I55-M155 HydrophobicContact CD1-CB 4.16Å; I55-M155 HydrophobicContact CD1-CG 4.3Å; I55-M155 HydrophobicContact CD1-SD 3.58Å; I55-M155 VanDerWaalsContact CD1-SD 3.58Å
56R97.9Very high96Very high107 Ų10771.3 Ų71.340%0.40438%0.376SS..  trans-107.5148.7178.5-57.4-57.2-176.292-2.9111.1A72 G73 R74 S97 R116R56-A72 HydrophobicContact CB-CB 3.94Å; R56-A72 HydrophobicContact CG-CB 4.41Å; R56-G73 WeakPolarHBondContact CD-O 3.3Å; R56-G73 PolarHBondContact NH1-O 3.28Å; R56-G73 VanDerWaalsContact NH1-O 3.16Å; R56-R74 WeakPolarHBondContact CD-O 3.24Å; R56-S97 VanDerWaalsContact CD-OG 3.3Å; R56-S97 WeakPolarHBondContact CD-OG 3.46Å; R56-R116 PolarHBondContact O-NE 2.95Å; R56-R116 PolarHBondContact O-NH2 2.66Å
57P98.1Very high96.1Very high0 Ų074.3 Ų74.30%039%0.389CS..  trans-74.1163.3176.735-41.1000111.8V59 G73 G75 F76 I157P57-V59 HydrophobicContact CB-CG2 4.47Å; P57-V59 HydrophobicContact CG-CG2 4.04Å; P57-G73 PolarHBondContact O-N 3.05Å; P57-G75 WeakPolarHBondContact CG-O 3.36Å; P57-F76 HydrophobicContact CB-CD1 3.83Å; P57-F76 HydrophobicContact CB-CD2 4.38Å; P57-F76 HydrophobicContact CB-CE1 3.79Å; P57-F76 HydrophobicContact CB-CE2 4.34Å; P57-F76 HydrophobicContact CB-CG 4.14Å; P57-F76 HydrophobicContact CB-CZ 4.06Å; P57-I157 WeakPolarHBondContact O-CD1 3.36Å
58I97.9Very high96.2Very high53 Ų5375.3 Ų75.327%0.27239%0.389SS..EExtended strand (participates in β ladder)trans-81.4122.3171.3-61.7173.9000108.2V70 N113 I157I58-V70 HydrophobicContact CB-CG1 4.44Å; I58-V70 HydrophobicContact CG2-CG1 3.22Å; I58-N113 WeakPolarHBondContact CB-OD1 3.32Å; I58-N113 PolarHBondContact N-OD1 3.26Å; I58-N113 PolarHBondContact O-ND2 3.24Å; I58-N113 VanDerWaalsContact O-ND2 3.12Å; I58-N113 PolarHBondContact O-OD1 2.98Å; I58-I157 HydrophobicContact CB-CD1 4.49Å; I58-I157 HydrophobicContact CG1-CD1 3.89Å; I58-I157 HydrophobicContact CG1-CG1 3.94Å; I58-I157 HydrophobicContact CG1-CG2 4.34Å
59V97.4Very high96.4Very high26 Ų2677.7 Ų77.716%0.15839%0.394CS..EExtended strand (participates in β ladder)trans-133.5134.5-175.7175.80000110.9P57 V70 R71P57-V59 HydrophobicContact CB-CG2 4.47Å; P57-V59 HydrophobicContact CG-CG2 4.04Å; V59-V70 WeakPolarHBondContact O-CA 3.34Å; V59-R71 PolarHBondContact N-O 3.37Å; V59-R71 PolarHBondContact O-N 3.28Å
60R96.6Very high96.4Very high151 Ų15171.3 Ų71.357%0.5737%0.373SS*.EExtended strand (participates in β ladder)trans-78.2141.9170.7-68.8-77.9178-175.81110.7H67 T68 V70R60-H67 VanDerWaalsContact CD-O 3.3Å; R60-H67 WeakPolarHBondContact CD-O 3.24Å; R60-H67 PolarHBondContact NH1-O 3.31Å; R60-T68 PolarHBondContact NH1-O 3.22Å; R60-V70 VanDerWaalsContact CZ-CG2 3.4Å; R60-V70 VanDerWaalsContact NH1-CG2 3.32Å
61C96.8Very high96.5Very high23 Ų2375 Ų7516%0.15538%0.381CS..  trans-71.3148.4174.5-66.70000111.1Y66 H67 K69C61-Y66 WeakPolarHBondContact CB-O 3.41Å; C61-H67 WeakPolarHBondContact O-CA 3.42Å; C61-K69 PolarHBondContact N-O 2.89Å
62P96.2Very high96.8Very high119 Ų11975.9 Ų75.977%0.77339%0.389SS*.SBendtrans-82.5-20.2-163.830.1-35.9000115.9
63T97.7Very high97.1Very high71 Ų7172.8 Ų72.844%0.43637%0.368SS..SBendtrans-99.9156-172.862.80000112.6R65 Y66 H67T63-R65 PolarHBondContact O-N 3.06Å; T63-R65 VanDerWaalsContact O-N 3.12Å; T63-Y66 CarbonylContact O-C 3.6Å; T63-Y66 PolarHBondContact O-N 3.4Å; T63-Y66 WeakPolarHBondContact OG1-CD2 3.44Å; T63-H67 PolarHBondContact O-N 3.24Å
64V97.6Very high97.2Very high133 Ų13378.9 Ų78.981%0.80639%0.385SS*.THydrogen-bonded Turntrans-56.6-26.8175.6-178.90000112.4Y66 H67V64-Y66 VanDerWaalsContact C-N 3.32Å; V64-Y66 PolarHBondContact O-N 2.97Å; V64-H67 PolarHBondContact O-CD2 3.39Å; V64-H67 PolarHBondContact O-NE2 3.31Å
65R97.8Very high97.3Very high195 Ų19576.3 Ų76.374%0.73637%0.368SS*.THydrogen-bonded Turntrans-70-27.6174.8-169.8174.5-178.6-177.31.5113.4T63T63-R65 PolarHBondContact O-N 3.06Å; T63-R65 VanDerWaalsContact O-N 3.12Å
66Y98.1Very high97.4Very high90 Ų9076.2 Ų76.235%0.35337%0.367SS..THydrogen-bonded Turntrans-128.4-3.8-167.4-59.8-58000115.4C61 T63 V64 T68 K69C61-Y66 WeakPolarHBondContact CB-O 3.41Å; T63-Y66 CarbonylContact O-C 3.6Å; T63-Y66 PolarHBondContact O-N 3.4Å; T63-Y66 WeakPolarHBondContact OG1-CD2 3.44Å; V64-Y66 VanDerWaalsContact C-N 3.32Å; V64-Y66 PolarHBondContact O-N 2.97Å; Y66-T68 PolarHBondContact O-N 3.06Å; Y66-K69 HydrophobicContact CD1-CD 4.35Å; Y66-K69 WeakPolarHBondContact O-CB 3.49Å; Y66-K69 PolarHBondContact O-N 3.48Å
67H96.8Very high97.4Very high98 Ų9871.1 Ų71.145%0.45435%0.348SS..THydrogen-bonded Turntrans-57.7-24-17770.4100.8000114.2R60 C61 T63 V64 K69R60-H67 VanDerWaalsContact CD-O 3.3Å; R60-H67 WeakPolarHBondContact CD-O 3.24Å; R60-H67 PolarHBondContact NH1-O 3.31Å; C61-H67 WeakPolarHBondContact O-CA 3.42Å; T63-H67 PolarHBondContact O-N 3.24Å; V64-H67 PolarHBondContact O-CD2 3.39Å; V64-H67 PolarHBondContact O-NE2 3.31Å; H67-K69 PolarHBondContact O-N 3.48Å
68T95.9Very high97.4Very high82 Ų8274.3 Ų74.350%0.50337%0.365SS..THydrogen-bonded Turntrans-67.1-23.6173.557.30000113.1R60 Y66R60-T68 PolarHBondContact NH1-O 3.22Å; Y66-T68 PolarHBondContact O-N 3.06Å
69K96.5Very high97.4Very high104 Ų10475.7 Ų75.745%0.45237%0.37SS..  trans-89.2144.5178.9-58.3-174.9-178.2-175.80111.6C61 Y66 H67C61-K69 PolarHBondContact N-O 2.89Å; Y66-K69 HydrophobicContact CD1-CD 4.35Å; Y66-K69 WeakPolarHBondContact O-CB 3.49Å; Y66-K69 PolarHBondContact O-N 3.48Å; H67-K69 PolarHBondContact O-N 3.48Å
70V97.2Very high97.4Very high26 Ų2674.4 Ų74.416%0.15836%0.363CS..EExtended strand (participates in β ladder)trans-112.3146.6174-172.20000109.7I58 V59 R60 I157 N159I58-V70 HydrophobicContact CB-CG1 4.44Å; I58-V70 HydrophobicContact CG2-CG1 3.22Å; V59-V70 WeakPolarHBondContact O-CA 3.34Å; R60-V70 VanDerWaalsContact CZ-CG2 3.4Å; R60-V70 VanDerWaalsContact NH1-CG2 3.32Å; V70-I157 HydrophobicContact CG1-CG2 3.91Å; V70-N159 WeakPolarHBondContact CA-OD1 3.49Å; V70-N159 VanDerWaalsContact CB-OD1 3.25Å; V70-N159 WeakPolarHBondContact CB-OD1 3.32Å; V70-N159 PolarHBondContact N-OD1 2.87Å; V70-N159 PolarHBondContact O-OD1 3.46Å
71R96.9Very high97.5Very high115 Ų11567.3 Ų67.343%0.43434%0.336SS..EExtended strand (participates in β ladder)trans-143.7169.6-179.863.4174.1-178.386.6-3.2112.1V59V59-R71 PolarHBondContact N-O 3.37Å; V59-R71 PolarHBondContact O-N 3.28Å
72A97.6Very high97.6Very high53 Ų5375.6 Ų75.644%0.43836%0.364SS..EExtended strand (participates in β ladder)trans-70.8131.1167.500000111.2R56 I157R56-A72 HydrophobicContact CB-CB 3.94Å; R56-A72 HydrophobicContact CG-CB 4.41Å; A72-I157 HydrophobicContact CB-CD1 3.99Å
73G97.3Very high97.6Very high5 Ų573.7 Ų73.75%0.05235%0.35CS..  trans-84.5-174175.500000114.8R56 P57R56-G73 WeakPolarHBondContact CD-O 3.3Å; R56-G73 PolarHBondContact NH1-O 3.28Å; R56-G73 VanDerWaalsContact NH1-O 3.16Å; P57-G73 PolarHBondContact O-N 3.05Å
74R97.6Very high97.7Very high149 Ų14971.3 Ų71.356%0.56234%0.338SS*.SBendtrans-75.8-48.7172.6-174.9178.4-176.5-130.610.5111.7R56 S97 D99 R101R56-R74 WeakPolarHBondContact CD-O 3.24Å; R74-S97 PolarHBondContact O-OG 3.42Å; R74-D99 WeakPolarHBondContact CD-OD2 3.38Å; R74-D99 IonicContact NH1-OD1 3.66Å; R74-D99 PolarHBondContact NH1-OD1 3.08Å; R74-D99 IonicContact NH1-OD2 3.99Å; R74-R101 VanDerWaalsContact NH1-CZ 3.33Å; R74-R101 VanDerWaalsContact NH1-NE 3.19Å
75G98.1Very high97.7Very high0 Ų068.2 Ų68.20%033%0.333CS..  trans-171.8161.3-179.900000113.7P57 S97 R102P57-G75 WeakPolarHBondContact CG-O 3.36Å; G75-S97 CarbonylContact C-O 3.57Å; G75-S97 WeakPolarHBondContact CA-O 3.33Å; G75-S97 WeakPolarHBondContact CA-OG 3.41Å; G75-R102 PolarHBondContact O-NE 3.46Å; G75-R102 PolarHBondContact O-NH2 2.87Å
76F98.6Very high97.6Very high0 Ų060.1 Ų60.10%030%0.304CS..BIsolated β-bridgetrans-62.1144.8176-70.1-89.6000110.7I55 P57 E80 L81 I96 S97 D99 N113 R116 L117I55-F76 HydrophobicContact CG1-CE2 4.41Å; I55-F76 HydrophobicContact CG1-CZ 4.49Å; I55-F76 HydrophobicContact CG2-CE2 4.01Å; P57-F76 HydrophobicContact CB-CD1 3.83Å; P57-F76 HydrophobicContact CB-CD2 4.38Å; P57-F76 HydrophobicContact CB-CE1 3.79Å; P57-F76 HydrophobicContact CB-CE2 4.34Å; P57-F76 HydrophobicContact CB-CG 4.14Å; P57-F76 HydrophobicContact CB-CZ 4.06Å; F76-E80 WeakPolarHBondContact CA-OE2 3.32Å; F76-E80 VanDerWaalsContact CD1-OE2 3.31Å; F76-E80 WeakPolarHBondContact CD1-OE2 3.34Å; F76-L81 HydrophobicContact CB-CD2 4.27Å; F76-L81 HydrophobicContact CB-CG 4.21Å; F76-I96 HydrophobicContact CD2-CG2 3.55Å; F76-I96 HydrophobicContact CE2-CG2 4.06Å; F76-I96 HydrophobicContact CG-CG2 4.27Å; F76-S97 WeakPolarHBondContact CD2-O 3.4Å; F76-S97 PolarHBondContact N-O 3.05Å; F76-D99 PolarHBondContact O-N 2.86Å; F76-N113 HydrophobicContact CD1-CB 4.23Å; F76-N113 HydrophobicContact CE1-CB 4.09Å; F76-R116 HydrophobicContact CZ-CG 4.31Å; F76-L117 HydrophobicContact CD1-CD1 3.69Å; F76-L117 HydrophobicContact CD1-CD2 3.73Å; F76-L117 HydrophobicContact CD1-CG 3.64Å; F76-L117 HydrophobicContact CD2-CD2 3.92Å; F76-L117 HydrophobicContact CE1-CD1 4.1Å; F76-L117 HydrophobicContact CE1-CD2 3.69Å; F76-L117 HydrophobicContact CE1-CG 3.54Å; F76-L117 HydrophobicContact CE2-CD2 3.89Å; F76-L117 HydrophobicContact CG-CD1 4.23Å; F76-L117 HydrophobicContact CG-CD2 3.85Å; F76-L117 HydrophobicContact CG-CG 4.25Å; F76-L117 HydrophobicContact CZ-CD2 3.76Å; F76-L117 HydrophobicContact CZ-CG 4.06Å
77S98.3Very high97.6Very high1 Ų161 Ų611%0.00731%0.311CS..  trans-77.1162.8177.867.70000110.5E79 E80 L81 R102 N104S77-E79 VanDerWaalsContact C-N 3.26Å; S77-E79 PolarHBondContact O-N 3.37Å; S77-E80 PolarHBondContact N-OE2 3.01Å; S77-E80 VanDerWaalsContact OG-CG 3.26Å; S77-E80 WeakPolarHBondContact OG-CG 3.45Å; S77-E80 PolarHBondContact OG-N 2.97Å; S77-L81 WeakPolarHBondContact O-CG 3.41Å; S77-L81 PolarHBondContact O-N 3.05Å; S77-R102 WeakPolarHBondContact CB-O 3.14Å; S77-N104 WeakPolarHBondContact CB-OD1 3.41Å; S77-N104 PolarHBondContact OG-ND2 3.35Å; S77-N104 PolarHBondContact OG-OD1 3.18Å
78L98.3Very high97.6Very high66 Ų6661.7 Ų61.735%0.34631%0.313SS..Hα-helixtrans-65.4-33.5178.1-64.6178.3000112.1L81 R82 K88 V98 P100L78-L81 PolarHBondContact O-N 3.09Å; L78-R82 WeakPolarHBondContact O-CB 3.37Å; L78-R82 PolarHBondContact O-N 3.38Å; L78-K88 HydrophobicContact CD2-CB 4.07Å; L78-K88 HydrophobicContact CD2-CD 4.03Å; L78-V98 HydrophobicContact CD2-CG1 4.19Å; L78-P100 HydrophobicContact CD1-CB 4.08Å; L78-P100 HydrophobicContact CD2-CB 4.47Å; L78-P100 HydrophobicContact CG-CB 4.28Å
79E98Very high97.7Very high82 Ų8265.3 Ų65.338%0.38332%0.321SS..Hα-helixtrans-68-45.8178.9-169.7179.4175.200111.7S77 L81 R82 V83 L110S77-E79 VanDerWaalsContact C-N 3.26Å; S77-E79 PolarHBondContact O-N 3.37Å; E79-L81 VanDerWaalsContact C-N 3.29Å; E79-L81 PolarHBondContact O-N 3.43Å; E79-R82 WeakPolarHBondContact O-CB 3.49Å; E79-R82 PolarHBondContact O-N 2.91Å; E79-V83 WeakPolarHBondContact O-CG2 3.26Å; E79-V83 PolarHBondContact O-N 3.49Å; E79-L110 HydrophobicContact CG-CD1 4.26Å
80E98.2Very high97.7Very high0 Ų063.7 Ų63.70%032%0.32CS..Hα-helixtrans-58-42.7174.4-74161.3-172.800112.2F76 S77 V83 A84 R102 N104 L110 N113 V114 L117F76-E80 WeakPolarHBondContact CA-OE2 3.32Å; F76-E80 VanDerWaalsContact CD1-OE2 3.31Å; F76-E80 WeakPolarHBondContact CD1-OE2 3.34Å; S77-E80 PolarHBondContact N-OE2 3.01Å; S77-E80 VanDerWaalsContact OG-CG 3.26Å; S77-E80 WeakPolarHBondContact OG-CG 3.45Å; S77-E80 PolarHBondContact OG-N 2.97Å; E80-V83 PolarHBondContact O-N 2.94Å; E80-A84 VanDerWaalsContact O-CB 3.24Å; E80-A84 WeakPolarHBondContact O-CB 3.44Å; E80-A84 PolarHBondContact O-N 2.98Å; E80-R102 IonicContact OE1-CZ 2.71Å; E80-R102 IonicContact OE1-NH1 3.64Å; E80-R102 PolarHBondContact OE1-NH1 3Å; E80-R102 IonicContact OE1-NH2 3.53Å; E80-R102 PolarHBondContact OE1-NH2 3.1Å; E80-R102 IonicContact OE2-CZ 2.74Å; E80-R102 IonicContact OE2-NH1 3.84Å; E80-R102 IonicContact OE2-NH2 2.66Å; E80-R102 PolarHBondContact OE2-NH2 2.86Å; E80-N104 WeakPolarHBondContact CG-ND2 3.38Å; E80-N104 PolarHBondContact OE1-ND2 3.11Å; E80-L110 HydrophobicContact CB-CD1 4.3Å; E80-L110 HydrophobicContact CG-CD1 3.58Å; E80-N113 VanDerWaalsContact CD-CB 3.41Å; E80-N113 HydrophobicContact CG-CB 3.94Å; E80-N113 WeakPolarHBondContact OE1-CB 3.36Å; E80-N113 PolarHBondContact OE1-ND2 3.08Å; E80-V114 HydrophobicContact CB-CG2 4.44Å; E80-L117 HydrophobicContact CB-CD1 4.21Å
81L98.2Very high97.7Very high2 Ų262.5 Ų62.51%0.0131%0.312CS..Hα-helixtrans-66.6-39.9178.3-70.4172.3000111.8F76 S77 L78 E79 A84 G85 I86 K88 A91 I96 V98 L117F76-L81 HydrophobicContact CB-CD2 4.27Å; F76-L81 HydrophobicContact CB-CG 4.21Å; S77-L81 WeakPolarHBondContact O-CG 3.41Å; S77-L81 PolarHBondContact O-N 3.05Å; L78-L81 PolarHBondContact O-N 3.09Å; E79-L81 VanDerWaalsContact C-N 3.29Å; E79-L81 PolarHBondContact O-N 3.43Å; L81-A84 CarbonylContact O-C 3.59Å; L81-A84 PolarHBondContact O-N 3.35Å; L81-G85 PolarHBondContact O-N 3.24Å; L81-G85 VanDerWaalsContact O-N 3.09Å; L81-I86 HydrophobicContact CD2-CB 4.18Å; L81-I86 HydrophobicContact CD2-CG2 4.34Å; L81-I86 PolarHBondContact O-N 3.43Å; L81-K88 HydrophobicContact CD1-CB 4.5Å; L81-A91 HydrophobicContact CD1-CB 4.33Å; L81-A91 HydrophobicContact CD2-CB 4.04Å; L81-I96 HydrophobicContact CD2-CG2 4.17Å; L81-V98 HydrophobicContact CD1-CB 4.31Å; L81-V98 HydrophobicContact CD1-CG1 3.72Å; L81-V98 HydrophobicContact CD1-CG2 3.74Å; L81-L117 HydrophobicContact CD2-CD1 3.98Å; L81-L117 HydrophobicContact CD2-CD2 4.28Å
82R97.9Very high97.7Very high197 Ų19765.4 Ų65.474%0.74332%0.323SS*.Hα-helixtrans-61.7-48.9175.7-173.9-174.2-65.2149.7-4.4110.9L78 E79 A84 G85L78-R82 WeakPolarHBondContact O-CB 3.37Å; L78-R82 PolarHBondContact O-N 3.38Å; E79-R82 WeakPolarHBondContact O-CB 3.49Å; E79-R82 PolarHBondContact O-N 2.91Å; R82-A84 VanDerWaalsContact C-N 3.3Å; R82-A84 PolarHBondContact O-N 3.49Å; R82-G85 PolarHBondContact O-N 3.34Å
83V98.1Very high97.7Very high78 Ų7867.3 Ų67.347%0.47333%0.33SS..Hα-helixtrans-65.8-34178.9177.90000111.6E79 E80 G85 V114E79-V83 WeakPolarHBondContact O-CG2 3.26Å; E79-V83 PolarHBondContact O-N 3.49Å; E80-V83 PolarHBondContact O-N 2.94Å; V83-G85 PolarHBondContact O-N 3.18Å; V83-V114 HydrophobicContact CB-CG2 3.87Å; V83-V114 HydrophobicContact CG1-CG1 4.01Å; V83-V114 HydrophobicContact CG1-CG2 3.78Å
84A97.9Very high97.6Very high22 Ų2268.4 Ų68.418%0.18233%0.334CS..THydrogen-bonded Turntrans-76.9-4.217400000114.1E80 L81 R82 I86 V114 L117E80-A84 VanDerWaalsContact O-CB 3.24Å; E80-A84 WeakPolarHBondContact O-CB 3.44Å; E80-A84 PolarHBondContact O-N 2.98Å; L81-A84 CarbonylContact O-C 3.59Å; L81-A84 PolarHBondContact O-N 3.35Å; R82-A84 VanDerWaalsContact C-N 3.3Å; R82-A84 PolarHBondContact O-N 3.49Å; A84-I86 HydrophobicContact CB-CD1 4.28Å; A84-I86 HydrophobicContact CB-CG1 4.24Å; A84-V114 HydrophobicContact CB-CG1 4.45Å; A84-L117 HydrophobicContact CB-CB 3.95Å; A84-L117 HydrophobicContact CB-CD1 3.74Å
85G97.4Very high97.5Very high68 Ų6862.4 Ų62.470%0.70132%0.318SS*.THydrogen-bonded Turntrans71.825.1-17900000114.4L81 R82 V83L81-G85 PolarHBondContact O-N 3.24Å; L81-G85 VanDerWaalsContact O-N 3.09Å; R82-G85 PolarHBondContact O-N 3.34Å; V83-G85 PolarHBondContact O-N 3.18Å
86I97.5Very high97.5Very high24 Ų2462.4 Ų62.412%0.12332%0.319CS..  trans-111.2120.3-176.4-53178.5000110.1L81 A84 A91 I94 I96 L117L81-I86 HydrophobicContact CD2-CB 4.18Å; L81-I86 HydrophobicContact CD2-CG2 4.34Å; L81-I86 PolarHBondContact O-N 3.43Å; A84-I86 HydrophobicContact CB-CD1 4.28Å; A84-I86 HydrophobicContact CB-CG1 4.24Å; I86-A91 HydrophobicContact CG2-CB 3.82Å; I86-I94 HydrophobicContact CG2-CD1 4.4Å; I86-I96 HydrophobicContact CD1-CD1 3.79Å; I86-I96 HydrophobicContact CG2-CD1 4.41Å; I86-L117 HydrophobicContact CD1-CB 4.39Å; I86-L117 HydrophobicContact CD1-CD2 4.42Å
87H97.9Very high97.5Very high108 Ų10863 Ų6350%0.532%0.323SS..  trans-68.7134.9175.8-175-108.3000111.9K89 V90 A91H87-K89 VanDerWaalsContact C-N 3.26Å; H87-K89 PolarHBondContact ND1-N 3.44Å; H87-K89 PolarHBondContact O-N 2.89Å; H87-K89 VanDerWaalsContact O-N 3.1Å; H87-V90 HydrophobicContact CB-CB 4.37Å; H87-V90 HydrophobicContact CB-CG2 4.14Å; H87-V90 PolarHBondContact O-N 3.32Å; H87-A91 PolarHBondContact O-N 3.19Å
88K97Very high97.5Very high114 Ų11463.9 Ų63.950%0.49633%0.328SS..Hα-helixtrans-54.4-33.9-174.165.1-177.1175.6-175.60115.1L78 L81L78-K88 HydrophobicContact CD2-CB 4.07Å; L78-K88 HydrophobicContact CD2-CD 4.03Å; L81-K88 HydrophobicContact CD1-CB 4.5Å
89K97.4Very high97.5Very high158 Ų15861.3 Ų61.369%0.68731%0.314SS*.Hα-helixtrans-75.7-40.7177.8-64.9-174.2179.9178.60111.2H87 R92H87-K89 VanDerWaalsContact C-N 3.26Å; H87-K89 PolarHBondContact ND1-N 3.44Å; H87-K89 PolarHBondContact O-N 2.89Å; H87-K89 VanDerWaalsContact O-N 3.1Å; K89-R92 PolarHBondContact O-N 3.34Å
90V96.7Very high97.5Very high70 Ų7061.3 Ų61.342%0.42432%0.322SS..Hα-helixtrans-67.9-38.4177.6179.20000110.8H87 R92 T93 I94H87-V90 HydrophobicContact CB-CB 4.37Å; H87-V90 HydrophobicContact CB-CG2 4.14Å; H87-V90 PolarHBondContact O-N 3.32Å; V90-R92 VanDerWaalsContact C-N 3.26Å; V90-R92 PolarHBondContact O-N 3.22Å; V90-T93 WeakPolarHBondContact CA-OG1 3.4Å; V90-T93 PolarHBondContact O-N 3.21Å; V90-T93 PolarHBondContact O-OG1 3.03Å; V90-I94 HydrophobicContact CG1-CG2 4.26Å; V90-I94 WeakPolarHBondContact O-CG1 3.43Å; V90-I94 PolarHBondContact O-N 3.25Å
91A97.5Very high97.5Very high0 Ų069.3 Ų69.30%035%0.352CS..Hα-helixtrans-50.1-47.3176.100000111.9L81 I86 H87 T93 I94 G95 I96 V98L81-A91 HydrophobicContact CD1-CB 4.33Å; L81-A91 HydrophobicContact CD2-CB 4.04Å; I86-A91 HydrophobicContact CG2-CB 3.82Å; H87-A91 PolarHBondContact O-N 3.19Å; A91-T93 PolarHBondContact O-N 2.89Å; A91-I94 WeakPolarHBondContact O-CG1 3.31Å; A91-I94 PolarHBondContact O-N 2.96Å; A91-G95 PolarHBondContact O-N 3.17Å; A91-I96 CarbonylContact C-O 3.5Å; A91-I96 HydrophobicContact CB-CB 4.02Å; A91-I96 HydrophobicContact CB-CG2 4.26Å; A91-I96 WeakPolarHBondContact O-CA 3.48Å; A91-I96 VanDerWaalsContact O-CB 3.32Å; A91-I96 WeakPolarHBondContact O-CB 3.42Å; A91-I96 PolarHBondContact O-N 3.45Å; A91-V98 HydrophobicContact CB-CG2 3.79Å
92R96.6Very high97.4Very high176 Ų17671.9 Ų71.966%0.66436%0.361SS*.Hα-helixtrans-68.7-33-178.9-168.3173.2-77.7172.1-3.9112.5K89 V90K89-R92 PolarHBondContact O-N 3.34Å; V90-R92 VanDerWaalsContact C-N 3.26Å; V90-R92 PolarHBondContact O-N 3.22Å
93T96.4Very high97.3Very high93 Ų9372.9 Ų72.957%0.57137%0.365SS*.Hα-helixtrans-71.4-31.7177.6590000112.6V90 A91V90-T93 WeakPolarHBondContact CA-OG1 3.4Å; V90-T93 PolarHBondContact O-N 3.21Å; V90-T93 PolarHBondContact O-OG1 3.03Å; A91-T93 PolarHBondContact O-N 2.89Å
94I95.6Very high97.2Very high29 Ų2970.5 Ų70.515%0.14935%0.35CS..THydrogen-bonded Turntrans-91.810.517968.9179.6000113.8I86 V90 A91 I96 Y120 L124 L126I86-I94 HydrophobicContact CG2-CD1 4.4Å; V90-I94 HydrophobicContact CG1-CG2 4.26Å; V90-I94 WeakPolarHBondContact O-CG1 3.43Å; V90-I94 PolarHBondContact O-N 3.25Å; A91-I94 WeakPolarHBondContact O-CG1 3.31Å; A91-I94 PolarHBondContact O-N 2.96Å; I94-I96 HydrophobicContact CD1-CD1 3.68Å; I94-I96 HydrophobicContact CD1-CG1 4.44Å; I94-I96 HydrophobicContact CG1-CD1 3.86Å; I94-I96 HydrophobicContact CG1-CG1 4.09Å; I94-Y120 PolarHBondContact O-OH 3.45Å; I94-Y120 VanDerWaalsContact O-OH 3.11Å; I94-L124 HydrophobicContact CB-CD2 3.99Å; I94-L124 HydrophobicContact CD1-CD2 4.38Å; I94-L126 HydrophobicContact CG2-CD1 4.49Å
95G96Very high97.1Very high22 Ų2279.4 Ų79.423%0.22738%0.384CS..THydrogen-bonded Turntrans85.525.5174.800000115.3P54 I55 A91P54-G95 CarbonylContact C-O 3.39Å; P54-G95 WeakPolarHBondContact CA-O 3.43Å; P54-G95 WeakPolarHBondContact CB-O 3.45Å; I55-G95 PolarHBondContact N-O 3.37Å; A91-G95 PolarHBondContact O-N 3.17Å
96I98.3Very high97Very high1 Ų178.6 Ų78.61%0.00537%0.368CS..BIsolated β-bridgetrans-102.2127.8172.1-58.3169.7000109.3I55 F76 L81 I86 A91 I94 L117 Y120I55-I96 HydrophobicContact CG2-CB 4.44Å; I55-I96 HydrophobicContact CG2-CG1 4.07Å; F76-I96 HydrophobicContact CD2-CG2 3.55Å; F76-I96 HydrophobicContact CE2-CG2 4.06Å; F76-I96 HydrophobicContact CG-CG2 4.27Å; L81-I96 HydrophobicContact CD2-CG2 4.17Å; I86-I96 HydrophobicContact CD1-CD1 3.79Å; I86-I96 HydrophobicContact CG2-CD1 4.41Å; A91-I96 CarbonylContact C-O 3.5Å; A91-I96 HydrophobicContact CB-CB 4.02Å; A91-I96 HydrophobicContact CB-CG2 4.26Å; A91-I96 WeakPolarHBondContact O-CA 3.48Å; A91-I96 VanDerWaalsContact O-CB 3.32Å; A91-I96 WeakPolarHBondContact O-CB 3.42Å; A91-I96 PolarHBondContact O-N 3.45Å; I94-I96 HydrophobicContact CD1-CD1 3.68Å; I94-I96 HydrophobicContact CD1-CG1 4.44Å; I94-I96 HydrophobicContact CG1-CD1 3.86Å; I94-I96 HydrophobicContact CG1-CG1 4.09Å; I96-L117 HydrophobicContact CD1-CD2 4.04Å; I96-L117 HydrophobicContact CG1-CD2 4.49Å; I96-L117 HydrophobicContact CG2-CD2 3.73Å; I96-Y120 HydrophobicContact CD1-CD1 3.99Å; I96-Y120 HydrophobicContact CD1-CE1 4.06Å; I96-Y120 HydrophobicContact CG1-CD1 3.77Å; I96-Y120 HydrophobicContact CG1-CE1 3.5Å
97S98.2Very high97.1Very high12 Ų1282.4 Ų82.48%0.08439%0.393CS..  trans-78.2136.4176.760.80000111I55 R56 R74 G75 F76I55-S97 WeakPolarHBondContact O-CB 3.4Å; I55-S97 PolarHBondContact O-N 3.34Å; I55-S97 PolarHBondContact O-OG 3.45Å; R56-S97 VanDerWaalsContact CD-OG 3.3Å; R56-S97 WeakPolarHBondContact CD-OG 3.46Å; R74-S97 PolarHBondContact O-OG 3.42Å; G75-S97 CarbonylContact C-O 3.57Å; G75-S97 WeakPolarHBondContact CA-O 3.33Å; G75-S97 WeakPolarHBondContact CA-OG 3.41Å; F76-S97 WeakPolarHBondContact CD2-O 3.4Å; F76-S97 PolarHBondContact N-O 3.05Å
98V98.4Very high97Very high19 Ų1983.7 Ų83.712%0.11540%0.399CS..BIsolated β-bridgetrans-124.1130-176.9-174.60000109.7L78 L81 A91L78-V98 HydrophobicContact CD2-CG1 4.19Å; L81-V98 HydrophobicContact CD1-CB 4.31Å; L81-V98 HydrophobicContact CD1-CG1 3.72Å; L81-V98 HydrophobicContact CD1-CG2 3.74Å; A91-V98 HydrophobicContact CB-CG2 3.79Å
99D98.1Very high96.9Very high12 Ų1280.2 Ų80.26%0.06439%0.389CS..  trans-124100.4172.9-169.610.7000110.3R74 F76 R101 R102R74-D99 WeakPolarHBondContact CD-OD2 3.38Å; R74-D99 IonicContact NH1-OD1 3.66Å; R74-D99 PolarHBondContact NH1-OD1 3.08Å; R74-D99 IonicContact NH1-OD2 3.99Å; F76-D99 PolarHBondContact O-N 2.86Å; D99-R101 PolarHBondContact O-N 2.95Å; D99-R101 VanDerWaalsContact O-N 3.15Å; D99-R101 IonicContact OD1-CZ 3.32Å; D99-R101 PolarHBondContact OD1-N 2.87Å; D99-R101 IonicContact OD1-NE 3.2Å; D99-R101 PolarHBondContact OD1-NE 3.33Å; D99-R101 VanDerWaalsContact OD1-NE 3.08Å; D99-R101 IonicContact OD1-NH2 3.08Å; D99-R101 PolarHBondContact OD1-NH2 3.37Å; D99-R101 IonicContact OD2-CZ 3.06Å; D99-R101 IonicContact OD2-NH2 2.89Å; D99-R101 PolarHBondContact OD2-NH2 3.19Å; D99-R102 PolarHBondContact O-N 3.48Å
100P97.6Very high96.9Very high83 Ų8373.9 Ų73.954%0.53936%0.362SS..THydrogen-bonded Turntrans-68.5-13.8-175.928.3-34.9000113.8L78L78-P100 HydrophobicContact CD1-CB 4.08Å; L78-P100 HydrophobicContact CD2-CB 4.47Å; L78-P100 HydrophobicContact CG-CB 4.28Å
101R97.8Very high97Very high167 Ų16775.7 Ų75.763%0.6337%0.366SS*.THydrogen-bonded Turntrans-83.7-16.8-178.9-57.7170.3-57.4137.617.6113.1R74 D99R74-R101 VanDerWaalsContact NH1-CZ 3.33Å; R74-R101 VanDerWaalsContact NH1-NE 3.19Å; D99-R101 PolarHBondContact O-N 2.95Å; D99-R101 VanDerWaalsContact O-N 3.15Å; D99-R101 IonicContact OD1-CZ 3.32Å; D99-R101 PolarHBondContact OD1-N 2.87Å; D99-R101 IonicContact OD1-NE 3.2Å; D99-R101 PolarHBondContact OD1-NE 3.33Å; D99-R101 VanDerWaalsContact OD1-NE 3.08Å; D99-R101 IonicContact OD1-NH2 3.08Å; D99-R101 PolarHBondContact OD1-NH2 3.37Å; D99-R101 IonicContact OD2-CZ 3.06Å; D99-R101 IonicContact OD2-NH2 2.89Å; D99-R101 PolarHBondContact OD2-NH2 3.19Å
102R97Very high97Very high56 Ų5677.9 Ų77.921%0.21138%0.384CS..  trans-78.9133.4-176.2-172.6166.766.291.3-13.3110.1G75 S77 E80 D99 N104G75-R102 PolarHBondContact O-NE 3.46Å; G75-R102 PolarHBondContact O-NH2 2.87Å; S77-R102 WeakPolarHBondContact CB-O 3.14Å; E80-R102 IonicContact OE1-CZ 2.71Å; E80-R102 IonicContact OE1-NH1 3.64Å; E80-R102 PolarHBondContact OE1-NH1 3Å; E80-R102 IonicContact OE1-NH2 3.53Å; E80-R102 PolarHBondContact OE1-NH2 3.1Å; E80-R102 IonicContact OE2-CZ 2.74Å; E80-R102 IonicContact OE2-NH1 3.84Å; E80-R102 IonicContact OE2-NH2 2.66Å; E80-R102 PolarHBondContact OE2-NH2 2.86Å; D99-R102 PolarHBondContact O-N 3.48Å; R102-N104 PolarHBondContact NH1-OD1 3.17Å
103R96.1Very high97.1Very high219 Ų21969.5 Ų69.583%0.82635%0.353SS*.  trans-109.4148.8176.4-58.8-178-177.3177.6-0.1109.9
104N95.6Very high97.2Very high28 Ų2865.1 Ų65.115%0.1533%0.326CS..  trans-101.8130.9173.7-67.818.3000108.2S77 E80 R102 L110S77-N104 WeakPolarHBondContact CB-OD1 3.41Å; S77-N104 PolarHBondContact OG-ND2 3.35Å; S77-N104 PolarHBondContact OG-OD1 3.18Å; E80-N104 WeakPolarHBondContact CG-ND2 3.38Å; E80-N104 PolarHBondContact OE1-ND2 3.11Å; R102-N104 PolarHBondContact NH1-OD1 3.17Å; N104-L110 WeakPolarHBondContact ND2-CD1 3.3Å
105K96.1Very high97.3Very high208 Ų20868.8 Ų68.890%0.90434%0.342SS*.  trans-115.5-17.4177.7-65.8-171.9177.5-171.20112.6
106S96.3Very high97.4Very high51 Ų5168.8 Ų68.836%0.35734%0.335SS..  trans-126.8137.2-177.974.30000110.1E108 S109 L110S106-E108 VanDerWaalsContact C-N 3.33Å; S106-E108 VanDerWaalsContact CB-OE2 3.3Å; S106-E108 WeakPolarHBondContact CB-OE2 3.25Å; S106-S109 PolarHBondContact O-OG 3.03Å; S106-S109 VanDerWaalsContact O-OG 3.06Å; S106-S109 WeakPolarHBondContact OG-CB 3.3Å; S106-S109 PolarHBondContact OG-OG 2.9Å; S106-L110 PolarHBondContact O-N 3.31Å
107T97.6Very high97.4Very high105 Ų10568.7 Ų68.764%0.64434%0.335SS*.Hα-helixtrans-69.9-33-177.152.90000111.2S109 L110 Q111T107-S109 PolarHBondContact O-N 3Å; T107-L110 WeakPolarHBondContact O-CB 3.49Å; T107-L110 PolarHBondContact O-N 3.35Å; T107-Q111 WeakPolarHBondContact O-CB 3.35Å; T107-Q111 PolarHBondContact O-N 3.44Å
108E96.3Very high97.4Very high135 Ų13573.4 Ų73.463%0.63135%0.354SS*.Hα-helixtrans-66.6-40-179.4-50.582.9173.900111.2S106 A112S106-E108 VanDerWaalsContact C-N 3.33Å; S106-E108 VanDerWaalsContact CB-OE2 3.3Å; S106-E108 WeakPolarHBondContact CB-OE2 3.25Å; E108-A112 WeakPolarHBondContact O-CB 3.36Å; E108-A112 PolarHBondContact O-N 2.74Å
109S96Very high97.4Very high40 Ų4076 Ų7628%0.2837%0.365SS..Hα-helixtrans-71.8-37.1178.1720000112.1S106 T107 N113S106-S109 PolarHBondContact O-OG 3.03Å; S106-S109 VanDerWaalsContact O-OG 3.06Å; S106-S109 WeakPolarHBondContact OG-CB 3.3Å; S106-S109 PolarHBondContact OG-OG 2.9Å; T107-S109 PolarHBondContact O-N 3Å; S109-N113 PolarHBondContact O-N 3.23Å; S109-N113 PolarHBondContact O-ND2 3.49Å
110L97.8Very high97.4Very high26 Ų2676.5 Ų76.514%0.13637%0.366CS..Hα-helixtrans-58.6-53.7171.4171.663.3000109.7E79 E80 N104 S106 T107 A112 N113 V114E79-L110 HydrophobicContact CG-CD1 4.26Å; E80-L110 HydrophobicContact CB-CD1 4.3Å; E80-L110 HydrophobicContact CG-CD1 3.58Å; N104-L110 WeakPolarHBondContact ND2-CD1 3.3Å; S106-L110 PolarHBondContact O-N 3.31Å; T107-L110 WeakPolarHBondContact O-CB 3.49Å; T107-L110 PolarHBondContact O-N 3.35Å; L110-A112 PolarHBondContact O-N 2.6Å; L110-N113 PolarHBondContact O-N 2.86Å; L110-V114 HydrophobicContact CD1-CG2 4.05Å; L110-V114 HydrophobicContact CG-CG2 4.48Å; L110-V114 WeakPolarHBondContact O-CG2 3.44Å; L110-V114 PolarHBondContact O-N 3.46Å
111Q98Very high97.3Very high108 Ų10877.6 Ų77.651%0.50536%0.359SS..Hα-helixtrans-63.9-41.6-176.9-171.365.2-2.600112.6T107 N113 V114 Q115T107-Q111 WeakPolarHBondContact O-CB 3.35Å; T107-Q111 PolarHBondContact O-N 3.44Å; Q111-N113 VanDerWaalsContact C-N 3.3Å; Q111-N113 PolarHBondContact O-N 2.93Å; Q111-V114 PolarHBondContact O-N 3.46Å; Q111-Q115 WeakPolarHBondContact O-CB 3.36Å; Q111-Q115 PolarHBondContact O-N 2.94Å
112A97.5Very high97.2Very high45 Ų4574.3 Ų74.337%0.37236%0.362SS..Hα-helixtrans-60.1-39.717600000112.3E108 L110 R116E108-A112 WeakPolarHBondContact O-CB 3.36Å; E108-A112 PolarHBondContact O-N 2.74Å; L110-A112 PolarHBondContact O-N 2.6Å; A112-R116 WeakPolarHBondContact O-CB 3.4Å; A112-R116 PolarHBondContact O-N 2.82Å
113N98.3Very high97.1Very high1 Ų177.8 Ų77.81%0.00538%0.379CS..Hα-helixtrans-76.4-35.6178-78.1-35.8000112.9I58 F76 E80 S109 L110 Q111 R116 L117I58-N113 WeakPolarHBondContact CB-OD1 3.32Å; I58-N113 PolarHBondContact N-OD1 3.26Å; I58-N113 PolarHBondContact O-ND2 3.24Å; I58-N113 VanDerWaalsContact O-ND2 3.12Å; I58-N113 PolarHBondContact O-OD1 2.98Å; F76-N113 HydrophobicContact CD1-CB 4.23Å; F76-N113 HydrophobicContact CE1-CB 4.09Å; E80-N113 VanDerWaalsContact CD-CB 3.41Å; E80-N113 HydrophobicContact CG-CB 3.94Å; E80-N113 WeakPolarHBondContact OE1-CB 3.36Å; E80-N113 PolarHBondContact OE1-ND2 3.08Å; S109-N113 PolarHBondContact O-N 3.23Å; S109-N113 PolarHBondContact O-ND2 3.49Å; L110-N113 PolarHBondContact O-N 2.86Å; Q111-N113 VanDerWaalsContact C-N 3.3Å; Q111-N113 PolarHBondContact O-N 2.93Å; N113-R116 WeakPolarHBondContact O-CB 3.42Å; N113-R116 PolarHBondContact O-N 3.42Å; N113-L117 WeakPolarHBondContact O-CG 3.42Å; N113-L117 PolarHBondContact O-N 3.38Å
114V98.5Very high97.1Very high1 Ų168.9 Ų68.91%0.00635%0.347CS..Hα-helixtrans-61.5-47171.61690000110.2E80 V83 A84 L110 Q111 R116 L117 K118E80-V114 HydrophobicContact CB-CG2 4.44Å; V83-V114 HydrophobicContact CB-CG2 3.87Å; V83-V114 HydrophobicContact CG1-CG1 4.01Å; V83-V114 HydrophobicContact CG1-CG2 3.78Å; A84-V114 HydrophobicContact CB-CG1 4.45Å; L110-V114 HydrophobicContact CD1-CG2 4.05Å; L110-V114 HydrophobicContact CG-CG2 4.48Å; L110-V114 WeakPolarHBondContact O-CG2 3.44Å; L110-V114 PolarHBondContact O-N 3.46Å; Q111-V114 PolarHBondContact O-N 3.46Å; V114-R116 VanDerWaalsContact C-N 3.28Å; V114-R116 PolarHBondContact O-N 3.12Å; V114-L117 WeakPolarHBondContact O-CB 3.49Å; V114-L117 PolarHBondContact O-N 3.06Å; V114-L117 VanDerWaalsContact O-N 3.08Å; V114-K118 HydrophobicContact CG1-CD 4.43Å; V114-K118 WeakPolarHBondContact O-CG 3.37Å; V114-K118 PolarHBondContact O-N 3.03Å
115Q98.2Very high97.1Very high106 Ų10670.4 Ų70.450%0.49536%0.355SS..Hα-helixtrans-60.5-41.3176.9-175.259.717.100111.4Q111 L117 K118 E119Q111-Q115 WeakPolarHBondContact O-CB 3.36Å; Q111-Q115 PolarHBondContact O-N 2.94Å; Q115-L117 VanDerWaalsContact C-N 3.32Å; Q115-L117 PolarHBondContact O-N 2.93Å; Q115-K118 PolarHBondContact O-N 2.85Å; Q115-E119 WeakPolarHBondContact O-CB 3.42Å; Q115-E119 PolarHBondContact O-N 2.9Å
116R98.2Very high97.1Very high21 Ų2163 Ų638%0.07933%0.325CS..Hα-helixtrans-61.7-37.5174.1-178.8175.7-176.676.83113.1I55 R56 F76 A112 N113 V114 Y120 M155I55-R116 HydrophobicContact CD1-CG 4.12Å; R56-R116 PolarHBondContact O-NE 2.95Å; R56-R116 PolarHBondContact O-NH2 2.66Å; F76-R116 HydrophobicContact CZ-CG 4.31Å; A112-R116 WeakPolarHBondContact O-CB 3.4Å; A112-R116 PolarHBondContact O-N 2.82Å; N113-R116 WeakPolarHBondContact O-CB 3.42Å; N113-R116 PolarHBondContact O-N 3.42Å; V114-R116 VanDerWaalsContact C-N 3.28Å; V114-R116 PolarHBondContact O-N 3.12Å; R116-Y120 WeakPolarHBondContact O-CB 3.02Å; R116-Y120 PolarHBondContact O-N 3.42Å; R116-M155 HydrophobicContact CG-CE 4.18Å; R116-M155 PolarHBondContact NH1-O 3.23Å; R116-M155 VanDerWaalsContact NH1-O 3.14Å; R116-M155 PolarHBondContact NH2-O 3.48Å
117L98.4Very high97Very high0 Ų064.8 Ų64.80%033%0.326CS..Hα-helixtrans-67-42.2174.9-74.6169.2000111.5F76 E80 L81 A84 I86 I96 N113 V114 Q115 Y120 R121F76-L117 HydrophobicContact CD1-CD1 3.69Å; F76-L117 HydrophobicContact CD1-CD2 3.73Å; F76-L117 HydrophobicContact CD1-CG 3.64Å; F76-L117 HydrophobicContact CD2-CD2 3.92Å; F76-L117 HydrophobicContact CE1-CD1 4.1Å; F76-L117 HydrophobicContact CE1-CD2 3.69Å; F76-L117 HydrophobicContact CE1-CG 3.54Å; F76-L117 HydrophobicContact CE2-CD2 3.89Å; F76-L117 HydrophobicContact CG-CD1 4.23Å; F76-L117 HydrophobicContact CG-CD2 3.85Å; F76-L117 HydrophobicContact CG-CG 4.25Å; F76-L117 HydrophobicContact CZ-CD2 3.76Å; F76-L117 HydrophobicContact CZ-CG 4.06Å; E80-L117 HydrophobicContact CB-CD1 4.21Å; L81-L117 HydrophobicContact CD2-CD1 3.98Å; L81-L117 HydrophobicContact CD2-CD2 4.28Å; A84-L117 HydrophobicContact CB-CB 3.95Å; A84-L117 HydrophobicContact CB-CD1 3.74Å; I86-L117 HydrophobicContact CD1-CB 4.39Å; I86-L117 HydrophobicContact CD1-CD2 4.42Å; I96-L117 HydrophobicContact CD1-CD2 4.04Å; I96-L117 HydrophobicContact CG1-CD2 4.49Å; I96-L117 HydrophobicContact CG2-CD2 3.73Å; N113-L117 WeakPolarHBondContact O-CG 3.42Å; N113-L117 PolarHBondContact O-N 3.38Å; V114-L117 WeakPolarHBondContact O-CB 3.49Å; V114-L117 PolarHBondContact O-N 3.06Å; V114-L117 VanDerWaalsContact O-N 3.08Å; Q115-L117 VanDerWaalsContact C-N 3.32Å; Q115-L117 PolarHBondContact O-N 2.93Å; L117-Y120 PolarHBondContact O-N 2.96Å; L117-R121 WeakPolarHBondContact O-CB 3.4Å; L117-R121 PolarHBondContact O-N 3.06Å
118K98.2Very high96.9Very high110 Ų11060.6 Ų60.648%0.47830%0.301SS..Hα-helixtrans-62.2-47.3176.1-69.5-178.6177.7-175.70111.6V114 Q115 Y120 R121 S122V114-K118 HydrophobicContact CG1-CD 4.43Å; V114-K118 WeakPolarHBondContact O-CG 3.37Å; V114-K118 PolarHBondContact O-N 3.03Å; Q115-K118 PolarHBondContact O-N 2.85Å; K118-Y120 VanDerWaalsContact C-N 3.33Å; K118-Y120 PolarHBondContact O-N 3.39Å; K118-R121 PolarHBondContact O-N 3.44Å; K118-S122 PolarHBondContact O-N 3.12Å
119E98Very high96.8Very high75 Ų7565 Ų6535%0.3531%0.311SS..Hα-helixtrans-64.5-36.4176.6-169.9-167.4164.700112.2Q115 S122 K123 M155Q115-E119 WeakPolarHBondContact O-CB 3.42Å; Q115-E119 PolarHBondContact O-N 2.9Å; E119-S122 PolarHBondContact O-OG 2.78Å; E119-K123 HydrophobicContact CG-CD 4.36Å; E119-K123 WeakPolarHBondContact O-CG 3.43Å; E119-K123 PolarHBondContact O-N 3.36Å; E119-K123 IonicContact OE1-NZ 3.81Å; E119-K123 PolarHBondContact OE1-NZ 3.33Å; E119-M155 HydrophobicContact CB-CE 3.98Å; E119-M155 HydrophobicContact CG-CE 3.81Å; E119-M155 WeakPolarHBondContact OE2-CE 3.01Å
120Y97.9Very high96.7Very high22 Ų2269.3 Ų69.39%0.08633%0.325CS..Hα-helixtrans-65.2-42.5172.7177.4-106.9000111.6I55 I94 I96 R116 L117 K118 S122 K123 L124 V154 M155I55-Y120 HydrophobicContact CB-CD2 4.17Å; I55-Y120 HydrophobicContact CB-CE2 4.22Å; I55-Y120 HydrophobicContact CD1-CD2 3.78Å; I55-Y120 HydrophobicContact CD1-CG 3.93Å; I55-Y120 HydrophobicContact CG2-CD1 3.9Å; I55-Y120 HydrophobicContact CG2-CD2 3.99Å; I55-Y120 HydrophobicContact CG2-CE1 3.94Å; I55-Y120 HydrophobicContact CG2-CE2 4.06Å; I55-Y120 HydrophobicContact CG2-CG 3.9Å; I94-Y120 PolarHBondContact O-OH 3.45Å; I94-Y120 VanDerWaalsContact O-OH 3.11Å; I96-Y120 HydrophobicContact CD1-CD1 3.99Å; I96-Y120 HydrophobicContact CD1-CE1 4.06Å; I96-Y120 HydrophobicContact CG1-CD1 3.77Å; I96-Y120 HydrophobicContact CG1-CE1 3.5Å; R116-Y120 WeakPolarHBondContact O-CB 3.02Å; R116-Y120 PolarHBondContact O-N 3.42Å; L117-Y120 PolarHBondContact O-N 2.96Å; K118-Y120 VanDerWaalsContact C-N 3.33Å; K118-Y120 PolarHBondContact O-N 3.39Å; Y120-S122 VanDerWaalsContact C-N 3.33Å; Y120-S122 PolarHBondContact O-N 3.15Å; Y120-K123 PolarHBondContact O-N 3.07Å; Y120-L124 HydrophobicContact CE1-CD1 4.29Å; Y120-L124 WeakPolarHBondContact O-CB 3.46Å; Y120-L124 PolarHBondContact O-N 2.74Å; Y120-V154 HydrophobicContact CD2-CG1 4.1Å; Y120-V154 HydrophobicContact CE2-CG1 3.87Å; Y120-M155 HydrophobicContact CD2-SD 4.25Å
121R95.8Very high96.3Very high105 Ų10573.6 Ų73.640%0.39636%0.355SS..Hα-helixtrans-65-35.9-179.1-177.262.5-178105-6.3112.4L117 K118 L124L117-R121 WeakPolarHBondContact O-CB 3.4Å; L117-R121 PolarHBondContact O-N 3.06Å; K118-R121 PolarHBondContact O-N 3.44Å; R121-L124 PolarHBondContact O-N 3.5Å
122S95.7Very high96.1Very high98 Ų9873.2 Ų73.269%0.68536%0.364SS*.Hα-helixtrans-71.2-30.3175.667.90000113K118 E119 Y120K118-S122 PolarHBondContact O-N 3.12Å; E119-S122 PolarHBondContact O-OG 2.78Å; Y120-S122 VanDerWaalsContact C-N 3.33Å; Y120-S122 PolarHBondContact O-N 3.15Å
123K95.4Very high95.9Very high130 Ų13072.9 Ų72.957%0.56536%0.361SS*.THydrogen-bonded Turntrans-86.6-3.7176.2-68.2174.8177.81760113.7E119 Y120E119-K123 HydrophobicContact CG-CD 4.36Å; E119-K123 WeakPolarHBondContact O-CG 3.43Å; E119-K123 PolarHBondContact O-N 3.36Å; E119-K123 IonicContact OE1-NZ 3.81Å; E119-K123 PolarHBondContact OE1-NZ 3.33Å; Y120-K123 PolarHBondContact O-N 3.07Å
124L95.6Very high95.6Very high32 Ų3276.8 Ų76.817%0.16839%0.386CS..  trans-86.8113.3-175.4-17972.6000110.4I94 Y120 R121I94-L124 HydrophobicContact CB-CD2 3.99Å; I94-L124 HydrophobicContact CD1-CD2 4.38Å; Y120-L124 HydrophobicContact CE1-CD1 4.29Å; Y120-L124 WeakPolarHBondContact O-CB 3.46Å; Y120-L124 PolarHBondContact O-N 2.74Å; R121-L124 PolarHBondContact O-N 3.5Å
125I95.7Very high95.4Very high59 Ų5984.1 Ų84.130%0.30342%0.418SS..  trans-83.2115.8168.8-57.9173000108.3F127 S139 E143 L144 A147I125-F127 HydrophobicContact CG2-CD2 4.27Å; I125-F127 HydrophobicContact CG2-CE2 3.93Å; I125-S139 WeakPolarHBondContact CA-OG 3.38Å; I125-S139 WeakPolarHBondContact CG2-OG 3.36Å; I125-E143 HydrophobicContact CG2-CB 4.26Å; I125-L144 HydrophobicContact CG2-CD2 4.09Å; I125-A147 HydrophobicContact CD1-CB 4.1Å; I125-A147 HydrophobicContact CG2-CB 4.3Å
126L95.5Very high95Very high53 Ų5389.6 Ų89.628%0.27744%0.441SS..  trans-103.1115.7-178.3-172.764.1000110.4I94 S139I94-L126 HydrophobicContact CG2-CD1 4.49Å; L126-S139 PolarHBondContact N-OG 3.06Å; L126-S139 WeakPolarHBondContact O-CB 3.48Å; L126-S139 PolarHBondContact O-N 2.8Å
127F94.6Very high94.4Very high88 Ų8890.7 Ų90.739%0.38646%0.458SS..  trans-76.4136.9179.3-81.3-118.5000111P48 I125 L144 A147P48-F127 HydrophobicContact CB-CZ 4.46Å; P48-F127 HydrophobicContact CG-CD2 4.24Å; P48-F127 HydrophobicContact CG-CE1 4.31Å; P48-F127 HydrophobicContact CG-CE2 3.84Å; P48-F127 HydrophobicContact CG-CZ 3.88Å; I125-F127 HydrophobicContact CG2-CD2 4.27Å; I125-F127 HydrophobicContact CG2-CE2 3.93Å; F127-L144 HydrophobicContact CB-CD2 4.35Å; F127-L144 HydrophobicContact CD1-CD2 3.74Å; F127-L144 HydrophobicContact CD2-CD2 3.58Å; F127-L144 HydrophobicContact CE1-CB 4.43Å; F127-L144 HydrophobicContact CE1-CD2 3.78Å; F127-L144 HydrophobicContact CE2-CD2 3.61Å; F127-L144 HydrophobicContact CG-CD2 3.63Å; F127-L144 HydrophobicContact CZ-CB 4.34Å; F127-L144 HydrophobicContact CZ-CD2 3.71Å; F127-A147 HydrophobicContact CE2-CB 3.66Å; F127-A147 HydrophobicContact CZ-CB 3.64Å
128P95.6Very high94.1Very high17 Ų1792.7 Ų92.711%0.1147%0.469CS..  trans-62.6144.3173.427.5-34.7000110.7K130 P134 D138 L144P128-K130 VanDerWaalsContact C-N 3.35Å; P128-P134 HydrophobicContact CB-CB 4.22Å; P128-D138 VanDerWaalsContact CA-CG 3.47Å; P128-D138 WeakPolarHBondContact CA-OD2 3.39Å; P128-D138 HydrophobicContact CB-CB 4.14Å; P128-D138 VanDerWaalsContact CB-OD2 3.3Å; P128-D138 WeakPolarHBondContact CB-OD2 3.45Å; P128-L144 HydrophobicContact CG-CD1 4.36Å
129R93.6Very high93.9Very high227 Ų22788.2 Ų88.286%0.85745%0.452SS*.SBendtrans-66.8-38.7177.3-69.5-70.1177.8155.91.7112.2
130K94Very high93.6Very high132 Ų13287.4 Ų87.457%0.57445%0.454SS*.SBendtrans-115.5111.6174.3-174171.3179.8178.10107.7P128 S132 A133P128-K130 VanDerWaalsContact C-N 3.35Å; K130-S132 VanDerWaalsContact CE-OG 3.26Å; K130-S132 WeakPolarHBondContact CE-OG 3.34Å; K130-S132 PolarHBondContact O-N 3.45Å; K130-A133 HydrophobicContact CD-CB 4.25Å; K130-A133 HydrophobicContact CG-CB 4.42Å; K130-A133 CarbonylContact O-C 3.57Å; K130-A133 PolarHBondContact O-N 2.84Å
131P90.4Very high93.2Very high115 Ų11589.7 Ų89.775%0.74748%0.477SS*.THydrogen-bonded Turntrans-58.5-32-175.8-27.335.2000114
132S93.1Very high93Very high100 Ų10092 Ų9270%0.69949%0.493SS*.THydrogen-bonded Turntrans-79.8-11.9178.950.30000114.7K130K130-S132 VanDerWaalsContact CE-OG 3.26Å; K130-S132 WeakPolarHBondContact CE-OG 3.34Å; K130-S132 PolarHBondContact O-N 3.45Å
133A92.7Very high92.8Very high38 Ų3891.4 Ų91.431%0.31448%0.479SS..SBendtrans-140.673.7-18000000111.5K130K130-A133 HydrophobicContact CD-CB 4.25Å; K130-A133 HydrophobicContact CG-CB 4.42Å; K130-A133 CarbonylContact O-C 3.57Å; K130-A133 PolarHBondContact O-N 2.84Å
134P93.7Very high92.6Very high83 Ų8387.4 Ų87.454%0.53946%0.464SS..  trans-57.7146.3175.2-21.433.4000112.2P128P128-P134 HydrophobicContact CB-CB 4.22Å
135K93.9Very high92.5Very high155 Ų15594.6 Ų94.667%0.67449%0.493SS*.  trans-113.8167.4-179.7-62.1-61.3-177.4-176.70111.1G137 D138K135-G137 PolarHBondContact O-N 3.04Å; K135-D138 PolarHBondContact N-OD2 2.9Å; K135-D138 WeakPolarHBondContact O-CB 3.3Å; K135-D138 PolarHBondContact O-N 3.22Å; K135-D138 VanDerWaalsContact O-N 3.11Å
136K89Confident92.3Very high222 Ų22297.9 Ų97.997%0.96551%0.511SS*.THydrogen-bonded Turntrans-58.6120.1176.2-173.1175.6-178.7175.20110.2
137G85.7Confident92.1Very high43 Ų4396.6 Ų96.644%0.44351%0.508SS..THydrogen-bonded Turntrans101.5-3.9179.700000115K135K135-G137 PolarHBondContact O-N 3.04Å
138D92.3Very high92.1Very high42 Ų4298.2 Ų98.223%0.22553%0.525CS..PPolyproline II helixtrans-75.7156.4165.3-63.4-34.4000110.6P128 K135P128-D138 VanDerWaalsContact CA-CG 3.47Å; P128-D138 WeakPolarHBondContact CA-OD2 3.39Å; P128-D138 HydrophobicContact CB-CB 4.14Å; P128-D138 VanDerWaalsContact CB-OD2 3.3Å; P128-D138 WeakPolarHBondContact CB-OD2 3.45Å; K135-D138 PolarHBondContact N-OD2 2.9Å; K135-D138 WeakPolarHBondContact O-CB 3.3Å; K135-D138 PolarHBondContact O-N 3.22Å; K135-D138 VanDerWaalsContact O-N 3.11Å
139S93.3Very high92Very high17 Ų17100.5 Ų100.512%0.11953%0.534CS..PPolyproline II helixtrans-75.8155.9178.1-82.50000112.8I125 L126 E143I125-S139 WeakPolarHBondContact CA-OG 3.38Å; I125-S139 WeakPolarHBondContact CG2-OG 3.36Å; L126-S139 PolarHBondContact N-OG 3.06Å; L126-S139 WeakPolarHBondContact O-CB 3.48Å; L126-S139 PolarHBondContact O-N 2.8Å; S139-E143 WeakPolarHBondContact CA-OE2 3.41Å; S139-E143 WeakPolarHBondContact CB-OE2 3.46Å; S139-E143 PolarHBondContact OG-OE2 2.89Å
140S92.1Very high92Very high57 Ų5793.7 Ų93.740%0.39951%0.514SS..PPolyproline II helixtrans-68.6156.9176.8740000111.7E142 E143 L144S140-E142 PolarHBondContact O-N 3.06Å; S140-E142 VanDerWaalsContact O-N 3.15Å; S140-E143 PolarHBondContact O-N 3.11Å; S140-E143 VanDerWaalsContact O-N 3.13Å; S140-E143 WeakPolarHBondContact OG-CG 3.44Å; S140-E143 PolarHBondContact OG-N 3.34Å; S140-L144 WeakPolarHBondContact O-CG 3.35Å; S140-L144 PolarHBondContact O-N 3.32Å; S140-L144 VanDerWaalsContact O-N 3.07Å
141A90.6Very high91.8Very high70 Ų7093.3 Ų93.358%0.57952%0.524SS*.Hα-helixtrans-58.8-29.1179.300000113.2K145A141-K145 PolarHBondContact O-N 2.86Å
142E91.6Very high91.9Very high154 Ų15489.8 Ų89.872%0.7251%0.508SS*.Hα-helixtrans-69.1-46.2175.8-62.7177.2175.400111.6S140 L144 K145 L146S140-E142 PolarHBondContact O-N 3.06Å; S140-E142 VanDerWaalsContact O-N 3.15Å; E142-L144 VanDerWaalsContact C-N 3.27Å; E142-L144 PolarHBondContact O-N 3.15Å; E142-K145 PolarHBondContact O-N 3.13Å; E142-K145 VanDerWaalsContact O-N 3.17Å; E142-L146 PolarHBondContact O-N 2.7Å
143E90.6Very high91.9Very high86 Ų8688.5 Ų88.540%0.40250%0.497SS..Hα-helixtrans-61.4-37175.2-71.8178.9176.300111.9I125 S139 S140 K145 L146 A147I125-E143 HydrophobicContact CG2-CB 4.26Å; S139-E143 WeakPolarHBondContact CA-OE2 3.41Å; S139-E143 WeakPolarHBondContact CB-OE2 3.46Å; S139-E143 PolarHBondContact OG-OE2 2.89Å; S140-E143 PolarHBondContact O-N 3.11Å; S140-E143 VanDerWaalsContact O-N 3.13Å; S140-E143 WeakPolarHBondContact OG-CG 3.44Å; S140-E143 PolarHBondContact OG-N 3.34Å; E143-K145 VanDerWaalsContact C-N 3.28Å; E143-K145 PolarHBondContact O-N 3.07Å; E143-L146 PolarHBondContact O-N 2.63Å; E143-A147 PolarHBondContact O-N 3.43Å
144L92.2Very high91.9Very high45 Ų4587.7 Ų87.724%0.23649%0.488CS..Hα-helixtrans-62.7-35177.8-63.3178.8000112.2I125 F127 P128 S140 E142 A147I125-L144 HydrophobicContact CG2-CD2 4.09Å; F127-L144 HydrophobicContact CB-CD2 4.35Å; F127-L144 HydrophobicContact CD1-CD2 3.74Å; F127-L144 HydrophobicContact CD2-CD2 3.58Å; F127-L144 HydrophobicContact CE1-CB 4.43Å; F127-L144 HydrophobicContact CE1-CD2 3.78Å; F127-L144 HydrophobicContact CE2-CD2 3.61Å; F127-L144 HydrophobicContact CG-CD2 3.63Å; F127-L144 HydrophobicContact CZ-CB 4.34Å; F127-L144 HydrophobicContact CZ-CD2 3.71Å; P128-L144 HydrophobicContact CG-CD1 4.36Å; S140-L144 WeakPolarHBondContact O-CG 3.35Å; S140-L144 PolarHBondContact O-N 3.32Å; S140-L144 VanDerWaalsContact O-N 3.07Å; E142-L144 VanDerWaalsContact C-N 3.27Å; E142-L144 PolarHBondContact O-N 3.15Å; L144-A147 WeakPolarHBondContact O-CB 3.26Å; L144-A147 PolarHBondContact O-N 3.35Å
145K91.7Very high92Very high183 Ų18385.3 Ų85.380%0.79647%0.47SS*.Hα-helixtrans-71.9-33.5175.7-68.3175.7-177.7178.20112.1A141 E142 E143 A147A141-K145 PolarHBondContact O-N 2.86Å; E142-K145 PolarHBondContact O-N 3.13Å; E142-K145 VanDerWaalsContact O-N 3.17Å; E143-K145 VanDerWaalsContact C-N 3.28Å; E143-K145 PolarHBondContact O-N 3.07Å; K145-A147 VanDerWaalsContact C-N 3.27Å; K145-A147 PolarHBondContact O-N 2.71Å
146L92.5Very high92Very high129 Ų12985.3 Ų85.368%0.67547%0.466SS*.Hα-helixtrans-76.3-13.6176.5-65173000113.3E142 E143 T148E142-L146 PolarHBondContact O-N 2.7Å; E143-L146 PolarHBondContact O-N 2.63Å; L146-T148 PolarHBondContact O-N 3.29Å
147A91.7Very high92.3Very high25 Ų2576.6 Ų76.621%0.20743%0.429CS..  trans-65.1105.1-176.200000111.7I125 F127 E143 L144 K145I125-A147 HydrophobicContact CD1-CB 4.1Å; I125-A147 HydrophobicContact CG2-CB 4.3Å; F127-A147 HydrophobicContact CE2-CB 3.66Å; F127-A147 HydrophobicContact CZ-CB 3.64Å; E143-A147 PolarHBondContact O-N 3.43Å; L144-A147 WeakPolarHBondContact O-CB 3.26Å; L144-A147 PolarHBondContact O-N 3.35Å; K145-A147 VanDerWaalsContact C-N 3.27Å; K145-A147 PolarHBondContact O-N 2.71Å
148T93.2Very high92.8Very high122 Ų12282.8 Ų82.875%0.74844%0.439SS*.  trans-113.7152.2175.755.10000111.1L146 L150L146-T148 PolarHBondContact O-N 3.29Å; T148-L150 PolarHBondContact O-N 2.95Å
149Q93.9Very high92.8Very high65 Ų6583.7 Ų83.730%0.30445%0.445SS..PPolyproline II helixtrans-72.8117.2178.1-177.5171.966.300110.5A43 R49 T151A43-Q149 PolarHBondContact O-NE2 3.35Å; R49-Q149 PolarHBondContact O-NE2 2.81Å; Q149-T151 PolarHBondContact O-N 2.95Å
150L94Very high92.8Very high84 Ų8489.2 Ų89.244%0.4448%0.477SS..PPolyproline II helixtrans-66.9127.4174.1-174.270.4000111.4P50 T148 V154P50-L150 HydrophobicContact CB-CB 4.35Å; P50-L150 HydrophobicContact CG-CB 4.38Å; T148-L150 PolarHBondContact O-N 2.95Å; L150-V154 HydrophobicContact CD2-CB 4.31Å; L150-V154 HydrophobicContact CD2-CG2 4.06Å
151T90.5Very high92.9Very high125 Ų12594.4 Ų94.477%0.76749%0.489SS*.PPolyproline II helixtrans-87.7139.4171.256.80000111Q149Q149-T151 PolarHBondContact O-N 2.95Å
152G91.6Very high93.2Very high40 Ų40100.2 Ų100.241%0.41250%0.501SS..SBendtrans79.4-169.9-177.700000114.6S52S52-G152 WeakPolarHBondContact CB-O 3.36Å
153P92.9Very high93.4Very high74 Ų74102.3 Ų102.348%0.48151%0.508SS..SBendtrans-73.7129.1-175.128.2-32.8000112M155 R156P153-M155 PolarHBondContact O-N 2.86Å; P153-R156 HydrophobicContact CG-CB 4.1Å; P153-R156 HydrophobicContact CG-CG 4.04Å
154V93.8Very high93.6Very high20 Ų20106.4 Ų106.412%0.12153%0.527CS..THydrogen-bonded Turntrans-58.3122.2174.3-177.50000109.9P50 I55 Y120 L150P50-V154 HydrophobicContact CB-CG2 3.57Å; P50-V154 HydrophobicContact CG-CG2 3.81Å; I55-V154 HydrophobicContact CB-CG1 4.34Å; Y120-V154 HydrophobicContact CD2-CG1 4.1Å; Y120-V154 HydrophobicContact CE2-CG1 3.87Å; L150-V154 HydrophobicContact CD2-CB 4.31Å; L150-V154 HydrophobicContact CD2-CG2 4.06Å
155M94.6Very high93.8Very high34 Ų34113.4 Ų113.417%0.16756%0.556CS.*THydrogen-bonded Turntrans48.765-178.8-64176.363.800112.8I55 R116 E119 Y120 P153 I157I55-M155 HydrophobicContact CD1-CB 4.16Å; I55-M155 HydrophobicContact CD1-CG 4.3Å; I55-M155 HydrophobicContact CD1-SD 3.58Å; I55-M155 VanDerWaalsContact CD1-SD 3.58Å; R116-M155 HydrophobicContact CG-CE 4.18Å; R116-M155 PolarHBondContact NH1-O 3.23Å; R116-M155 VanDerWaalsContact NH1-O 3.14Å; R116-M155 PolarHBondContact NH2-O 3.48Å; E119-M155 HydrophobicContact CB-CE 3.98Å; E119-M155 HydrophobicContact CG-CE 3.81Å; E119-M155 WeakPolarHBondContact OE2-CE 3.01Å; Y120-M155 HydrophobicContact CD2-SD 4.25Å; P153-M155 PolarHBondContact O-N 2.86Å; M155-I157 PolarHBondContact O-N 3.14Å
156R95Very high94.1Very high155 Ų155110 Ų11059%0.58556%0.562SS**  trans-49.1123.7-176.1-170.6174.177.4-169.54.7112.5P153 R158P153-R156 HydrophobicContact CG-CB 4.1Å; P153-R156 HydrophobicContact CG-CG 4.04Å; R156-R158 VanDerWaalsContact NH2-CZ 3.32Å; R156-R158 VanDerWaalsContact NH2-NH2 3.17Å
157I95.4Very high94.3Very high38 Ų38111.8 Ų111.820%0.19556%0.56CS.*  trans-73.4130.3175.9-60.5167.9000108.8P57 I58 V70 A72 M155P57-I157 WeakPolarHBondContact O-CD1 3.36Å; I58-I157 HydrophobicContact CB-CD1 4.49Å; I58-I157 HydrophobicContact CG1-CD1 3.89Å; I58-I157 HydrophobicContact CG1-CG1 3.94Å; I58-I157 HydrophobicContact CG1-CG2 4.34Å; V70-I157 HydrophobicContact CG1-CG2 3.91Å; A72-I157 HydrophobicContact CB-CD1 3.99Å; M155-I157 PolarHBondContact O-N 3.14Å
158R94.8Very high94.5Very high173 Ų173116.9 Ų116.965%0.65359%0.588SS**  trans-123.2148.1176.5-59-176.4-173-1682.3109R156 V160R156-R158 VanDerWaalsContact NH2-CZ 3.32Å; R156-R158 VanDerWaalsContact NH2-NH2 3.17Å; R158-V160 PolarHBondContact O-N 3.2Å
159N93.6Very high94.7Very high62 Ų62116 Ų11633%0.33258%0.578SS.*  trans-77.1117.6167.7-69.8-23000107.5V70 Y161V70-N159 WeakPolarHBondContact CA-OD1 3.49Å; V70-N159 VanDerWaalsContact CB-OD1 3.25Å; V70-N159 WeakPolarHBondContact CB-OD1 3.32Å; V70-N159 PolarHBondContact N-OD1 2.87Å; V70-N159 PolarHBondContact O-OD1 3.46Å; N159-Y161 HydrophobicContact CB-CE2 4.14Å
160V93.5Very high94.9Very high132 Ų132115.8 Ų115.880%0.858%0.58SS**  trans-104.5133.8177.2-176.80000107.9R158R158-V160 PolarHBondContact O-N 3.2Å
161Y94.2Very high95.1Very high166 Ų166117.4 Ų117.465%0.65159%0.586SS**  trans-112.3128174-60.1-84.4000107.9N159 K163N159-Y161 HydrophobicContact CB-CE2 4.14Å; Y161-K163 PolarHBondContact O-N 3.25Å
162K95.1Very high95.4Very high193 Ų193119.2 Ų119.284%0.83959%0.586SS**PPolyproline II helixtrans-74.1124.7172-174.6179.1179.1-176.30107
163K95.9Very high95.6Very high197 Ų197121.5 Ų121.586%0.85759%0.586SS**PPolyproline II helixtrans-82116.6170.3-65.8-175177.2-174.80107.9Y161Y161-K163 PolarHBondContact O-N 3.25Å
164E96.1Very high95.8Very high173 Ų173123.9 Ų123.981%0.80859%0.588SS**PPolyproline II helixtrans-75.5153.616856.2-109.6-173.400111.5
165K96.8Very high96Very high191 Ų191128.7 Ų128.783%0.8361%0.613SS**PPolyproline II helixtrans-88.1152.6171.8-63.3-176.7-179.8-176.70109.1R167K165-R167 PolarHBondContact O-N 3.35Å
166A96.5Very high96.2Very high112 Ų112133.1 Ų133.193%0.92663%0.632SS**PPolyproline II helixtrans-59.3137.1170.100000110
167R96.9Very high96.3Very high167 Ų167133.6 Ų133.663%0.6364%0.638SS**  trans-135.1149-179.655.6-178.7-108.4124-6.4109.4K165 E173K165-R167 PolarHBondContact O-N 3.35Å; R167-E173 IonicContact CZ-OE1 3.76Å; R167-E173 IonicContact NE-OE1 3.93Å; R167-E173 IonicContact NH2-OE1 2.86Å; R167-E173 PolarHBondContact NH2-OE1 3.44Å; R167-E173 IonicContact NH2-OE2 3.22Å; R167-E173 PolarHBondContact NH2-OE2 3.36Å
168V97.1Very high96.4Very high132 Ų132134.2 Ų134.280%0.865%0.649SS**PPolyproline II helixtrans-67.1134.5172.5-177.50000108.5
169I97.3Very high96.6Very high104 Ų104133.6 Ų133.653%0.53365%0.652SS.*PPolyproline II helixtrans-71.8129.5-179.9-56.1172.7000108.7E173 K174I169-E173 HydrophobicContact CG2-CB 3.85Å; I169-K174 HydrophobicContact CG2-CG 3.75Å
170T98Very high96.8Very high59 Ų59132.9 Ų132.936%0.36265%0.654SS.*PPolyproline II helixtrans-76.7153.7177.559.10000111.6E172 E173 K174T170-E172 PolarHBondContact O-N 3.03Å; T170-E173 PolarHBondContact N-OE2 3.18Å; T170-E173 PolarHBondContact O-N 3.38Å; T170-E173 VanDerWaalsContact O-N 3.16Å; T170-E173 VanDerWaalsContact OG1-CD 3.24Å; T170-E173 VanDerWaalsContact OG1-CG 3.23Å; T170-E173 WeakPolarHBondContact OG1-CG 3.03Å; T170-E173 PolarHBondContact OG1-N 2.94Å; T170-E173 PolarHBondContact OG1-OE2 3.05Å; T170-K174 PolarHBondContact O-N 3.48Å; T170-K174 VanDerWaalsContact O-N 3.14Å
171E97.4Very high97Very high118 Ų118129.1 Ų129.155%0.55163%0.634SS**Hα-helixtrans-61-30.5177-67.2-54.4131.300112.6K174 N175E171-K174 PolarHBondContact O-N 2.86Å; E171-K174 IonicContact OE1-NZ 2.6Å; E171-K174 PolarHBondContact OE1-NZ 3.2Å; E171-K174 IonicContact OE2-NZ 3.61Å; E171-N175 WeakPolarHBondContact O-CB 3.49Å; E171-N175 PolarHBondContact O-N 3.08Å; E171-N175 VanDerWaalsContact O-N 3.08Å; E171-N175 PolarHBondContact O-ND2 3.04Å; E171-N175 VanDerWaalsContact O-ND2 3.1Å
172E97.3Very high97.2Very high164 Ų164126.3 Ų126.377%0.76663%0.629SS**Hα-helixtrans-63.1-46.4173.6-172-174.4173.200112T170 K174 N175 F176T170-E172 PolarHBondContact O-N 3.03Å; E172-K174 VanDerWaalsContact C-N 3.31Å; E172-K174 PolarHBondContact O-N 2.99Å; E172-N175 PolarHBondContact O-N 3.16Å; E172-F176 PolarHBondContact O-N 3.37Å
173E96.2Very high97.3Very high88 Ų88124.1 Ų124.141%0.41162%0.616SS.*Hα-helixtrans-64.3-35.6178-73.3166.5147.600112R167 I169 T170 F176R167-E173 IonicContact CZ-OE1 3.76Å; R167-E173 IonicContact NE-OE1 3.93Å; R167-E173 IonicContact NH2-OE1 2.86Å; R167-E173 PolarHBondContact NH2-OE1 3.44Å; R167-E173 IonicContact NH2-OE2 3.22Å; R167-E173 PolarHBondContact NH2-OE2 3.36Å; I169-E173 HydrophobicContact CG2-CB 3.85Å; T170-E173 PolarHBondContact N-OE2 3.18Å; T170-E173 PolarHBondContact O-N 3.38Å; T170-E173 VanDerWaalsContact O-N 3.16Å; T170-E173 VanDerWaalsContact OG1-CD 3.24Å; T170-E173 VanDerWaalsContact OG1-CG 3.23Å; T170-E173 WeakPolarHBondContact OG1-CG 3.03Å; T170-E173 PolarHBondContact OG1-N 2.94Å; T170-E173 PolarHBondContact OG1-OE2 3.05Å; E173-F176 PolarHBondContact O-N 3.17Å
174K96.8Very high97.5Very high124 Ų124119.8 Ų119.854%0.53960%0.6SS.*Hα-helixtrans-64.9-41.1174.7-68.6-179.9-172.6168.30111.8I169 T170 E171 E172 F176I169-K174 HydrophobicContact CG2-CG 3.75Å; T170-K174 PolarHBondContact O-N 3.48Å; T170-K174 VanDerWaalsContact O-N 3.14Å; E171-K174 PolarHBondContact O-N 2.86Å; E171-K174 IonicContact OE1-NZ 2.6Å; E171-K174 PolarHBondContact OE1-NZ 3.2Å; E171-K174 IonicContact OE2-NZ 3.61Å; E172-K174 VanDerWaalsContact C-N 3.31Å; E172-K174 PolarHBondContact O-N 2.99Å; K174-F176 VanDerWaalsContact C-N 3.33Å
175N97.6Very high97.6Very high120 Ų120114.2 Ų114.264%0.64258%0.584SS**Hα-helixtrans-82.8-8.7-177.3-69.2-33.7000113.5E171 E172 K177E171-N175 WeakPolarHBondContact O-CB 3.49Å; E171-N175 PolarHBondContact O-N 3.08Å; E171-N175 VanDerWaalsContact O-N 3.08Å; E171-N175 PolarHBondContact O-ND2 3.04Å; E171-N175 VanDerWaalsContact O-ND2 3.1Å; E172-N175 PolarHBondContact O-N 3.16Å; N175-K177 PolarHBondContact O-N 3.26Å
176F97.9Very high97.6Very high128 Ų128113.3 Ų113.356%0.56158%0.575SS**  trans-71113.2-178-179.1-106.7000113.1E172 E173 K174 A178E172-F176 PolarHBondContact O-N 3.37Å; E173-F176 PolarHBondContact O-N 3.17Å; K174-F176 VanDerWaalsContact C-N 3.33Å; F176-A178 HydrophobicContact CD1-CB 4.02Å; F176-A178 HydrophobicContact CE1-CB 3.72Å; F176-A178 PolarHBondContact O-N 2.87Å
177K97.8Very high97.7Very high164 Ų164109.2 Ų109.271%0.71354%0.541SS*.  trans-83.678.3178.9-61.6179.6-176.31750112.1N175 F179 A180 S181N175-K177 PolarHBondContact O-N 3.26Å; K177-F179 PolarHBondContact O-N 2.83Å; K177-A180 HydrophobicContact CB-CB 3.97Å; K177-A180 PolarHBondContact O-N 3.41Å; K177-S181 PolarHBondContact O-N 3.28Å
178A97.9Very high97.8Very high52 Ų52104.6 Ų104.643%0.4353%0.529SS..Hα-helixtrans-54.1-46.3-175.400000114.4F176 S181 L182F176-A178 HydrophobicContact CD1-CB 4.02Å; F176-A178 HydrophobicContact CE1-CB 3.72Å; F176-A178 PolarHBondContact O-N 2.87Å; A178-S181 PolarHBondContact O-N 3.38Å; A178-L182 WeakPolarHBondContact O-CG 3.25Å; A178-L182 PolarHBondContact O-N 3.47Å
179F97.9Very high97.8Very high160 Ų160102.1 Ų102.170%0.70252%0.523SS*.Hα-helixtrans-63.8-46.1179.9179.2-99.4000112.3K177 S181 L182 R183K177-F179 PolarHBondContact O-N 2.83Å; F179-S181 VanDerWaalsContact C-N 3.34Å; F179-S181 PolarHBondContact O-N 3.41Å; F179-L182 PolarHBondContact O-N 3.26Å; F179-R183 HydrophobicContact CD1-CG 4.29Å; F179-R183 HydrophobicContact CE1-CG 3.9Å; F179-R183 HydrophobicContact CE2-CG 4.47Å; F179-R183 HydrophobicContact CZ-CG 4Å; F179-R183 WeakPolarHBondContact O-CG 3.46Å; F179-R183 PolarHBondContact O-N 2.91Å; F179-R183 VanDerWaalsContact O-N 3.08Å
180A98.1Very high97.9Very high46 Ų46106.5 Ų106.538%0.3853%0.532SS..Hα-helixtrans-62.4-42.517800000111.2K177 L182 R183 M184K177-A180 HydrophobicContact CB-CB 3.97Å; K177-A180 PolarHBondContact O-N 3.41Å; A180-L182 PolarHBondContact O-N 3.36Å; A180-R183 PolarHBondContact O-N 3.11Å; A180-M184 WeakPolarHBondContact O-CB 3.35Å; A180-M184 WeakPolarHBondContact O-CG 3.44Å; A180-M184 PolarHBondContact O-N 3.23Å
181S98.3Very high97.9Very high54 Ų54106 Ų10638%0.37853%0.527SS..Hα-helixtrans-55.8-48.6173.6175.10000112.1K177 A178 F179 R183 M184 A185K177-S181 PolarHBondContact O-N 3.28Å; A178-S181 PolarHBondContact O-N 3.38Å; F179-S181 VanDerWaalsContact C-N 3.34Å; F179-S181 PolarHBondContact O-N 3.41Å; S181-R183 VanDerWaalsContact C-N 3.33Å; S181-R183 PolarHBondContact O-N 3.37Å; S181-M184 PolarHBondContact O-N 3.27Å; S181-A185 WeakPolarHBondContact O-CB 3.14Å; S181-A185 PolarHBondContact O-N 3.02Å
182L98.2Very high97.9Very high106 Ų106107.9 Ų107.956%0.55553%0.534SS*.Hα-helixtrans-61-40177.8-71.1173.5000112.6A178 F179 A180 R186A178-L182 WeakPolarHBondContact O-CG 3.25Å; A178-L182 PolarHBondContact O-N 3.47Å; F179-L182 PolarHBondContact O-N 3.26Å; A180-L182 PolarHBondContact O-N 3.36Å; L182-R186 WeakPolarHBondContact O-CG 3.42Å; L182-R186 PolarHBondContact O-N 3.46Å
183R98.3Very high97.9Very high147 Ų147102.2 Ų102.256%0.55552%0.52SS*.Hα-helixtrans-66.8-45.3177-67.9-66.4-64-178-2.1111.4F179 A180 S181 R186 A187F179-R183 HydrophobicContact CD1-CG 4.29Å; F179-R183 HydrophobicContact CE1-CG 3.9Å; F179-R183 HydrophobicContact CE2-CG 4.47Å; F179-R183 HydrophobicContact CZ-CG 4Å; F179-R183 WeakPolarHBondContact O-CG 3.46Å; F179-R183 PolarHBondContact O-N 2.91Å; F179-R183 VanDerWaalsContact O-N 3.08Å; A180-R183 PolarHBondContact O-N 3.11Å; S181-R183 VanDerWaalsContact C-N 3.33Å; S181-R183 PolarHBondContact O-N 3.37Å; R183-R186 PolarHBondContact O-N 3.03Å; R183-A187 PolarHBondContact O-N 3.46Å
184M98.4Very high98Very high106 Ų106102.1 Ų102.152%0.52252%0.521SS..Hα-helixtrans-65.1-41.3178-70.4-55.9-67.700112A180 S181 R186 A187 N188A180-M184 WeakPolarHBondContact O-CB 3.35Å; A180-M184 WeakPolarHBondContact O-CG 3.44Å; A180-M184 PolarHBondContact O-N 3.23Å; S181-M184 PolarHBondContact O-N 3.27Å; M184-R186 PolarHBondContact O-N 3.2Å; M184-A187 PolarHBondContact O-N 2.96Å; M184-N188 WeakPolarHBondContact O-CB 3.43Å; M184-N188 PolarHBondContact O-N 3.44Å; M184-N188 PolarHBondContact O-ND2 2.88Å
185A98.3Very high98Very high57 Ų57102.1 Ų102.147%0.47152%0.518SS..Hα-helixtrans-59.7-44.1175.600000112S181 N188 A189S181-A185 WeakPolarHBondContact O-CB 3.14Å; S181-A185 PolarHBondContact O-N 3.02Å; A185-N188 PolarHBondContact O-N 3.45Å; A185-A189 WeakPolarHBondContact O-CB 3.41Å; A185-A189 PolarHBondContact O-N 3.2Å
186R98.2Very high98Very high172 Ų17298.9 Ų98.965%0.64951%0.508SS*.Hα-helixtrans-63.1-44.2174.3-71177.5-174.6-175.44.1112L182 R183 M184 R190L182-R186 WeakPolarHBondContact O-CG 3.42Å; L182-R186 PolarHBondContact O-N 3.46Å; R183-R186 PolarHBondContact O-N 3.03Å; M184-R186 PolarHBondContact O-N 3.2Å; R186-R190 WeakPolarHBondContact O-CB 3.39Å; R186-R190 PolarHBondContact O-N 2.96Å
187A98.3Very high98Very high26 Ų2699.1 Ų99.122%0.21551%0.508CS..Hα-helixtrans-63.8-43.7178.800000111.9R183 M184 R190 L191R183-A187 PolarHBondContact O-N 3.46Å; M184-A187 PolarHBondContact O-N 2.96Å; A187-R190 PolarHBondContact O-N 3.07Å; A187-L191 WeakPolarHBondContact O-CB 3.49Å; A187-L191 WeakPolarHBondContact O-CG 3.33Å; A187-L191 PolarHBondContact O-N 3.16Å
188N98.3Very high98Very high69 Ų6999.6 Ų99.637%0.36951%0.506SS..Hα-helixtrans-63.7-46.7177-70-19000111.5M184 A185 R190 L191 F192 R195M184-N188 WeakPolarHBondContact O-CB 3.43Å; M184-N188 PolarHBondContact O-N 3.44Å; M184-N188 PolarHBondContact O-ND2 2.88Å; A185-N188 PolarHBondContact O-N 3.45Å; N188-R190 VanDerWaalsContact C-N 3.29Å; N188-R190 PolarHBondContact O-N 2.98Å; N188-L191 PolarHBondContact O-N 3.39Å; N188-F192 WeakPolarHBondContact O-CB 3.45Å; N188-F192 PolarHBondContact O-N 3.41Å; N188-R195 PolarHBondContact OD1-NH1 3.01Å
189A98.1Very high97.9Very high81 Ų81100.1 Ų100.167%0.66951%0.51SS*.Hα-helixtrans-60.4-39176.300000112.2A185A185-A189 WeakPolarHBondContact O-CB 3.41Å; A185-A189 PolarHBondContact O-N 3.2Å
190R98Very high97.9Very high195 Ų19598.9 Ų98.974%0.73651%0.505SS*.Hα-helixtrans-69.3-41176.6-174.817768.1173.33.1112.8R186 A187 N188R186-R190 WeakPolarHBondContact O-CB 3.39Å; R186-R190 PolarHBondContact O-N 2.96Å; A187-R190 PolarHBondContact O-N 3.07Å; N188-R190 VanDerWaalsContact C-N 3.29Å; N188-R190 PolarHBondContact O-N 2.98Å
191L98.1Very high97.8Very high50 Ų50100.4 Ų100.426%0.26250%0.504SS..Hα-helixtrans-95.80.9-172.2-64.2177.2000114.2A187 N188 G193 I194 R195A187-L191 WeakPolarHBondContact O-CB 3.49Å; A187-L191 WeakPolarHBondContact O-CG 3.33Å; A187-L191 PolarHBondContact O-N 3.16Å; N188-L191 PolarHBondContact O-N 3.39Å; L191-G193 PolarHBondContact O-N 3.43Å; L191-I194 HydrophobicContact CD2-CD1 4.09Å; L191-I194 PolarHBondContact O-N 3.44Å; L191-R195 HydrophobicContact CB-CG 4.37Å; L191-R195 WeakPolarHBondContact O-CB 3.46Å; L191-R195 WeakPolarHBondContact O-CG 3.47Å; L191-R195 PolarHBondContact O-N 3.41Å
192F98.1Very high97.7Very high156 Ų15699.9 Ų99.968%0.68450%0.503SS*.Hα-helixtrans-53.2-54.6-176177.8-101.1000112.5N188 I194 R195 A196N188-F192 WeakPolarHBondContact O-CB 3.45Å; N188-F192 PolarHBondContact O-N 3.41Å; F192-I194 PolarHBondContact O-N 3Å; F192-R195 PolarHBondContact O-N 3.44Å; F192-A196 WeakPolarHBondContact O-CB 3.41Å; F192-A196 PolarHBondContact O-N 3.38Å
193G97.6Very high97.6Very high46 Ų4697.4 Ų97.447%0.47450%0.497SS..Hα-helixtrans-64.3-40.3-178.400000113.4L191 A196 K197L191-G193 PolarHBondContact O-N 3.43Å; G193-A196 PolarHBondContact O-N 2.92Å; G193-K197 WeakPolarHBondContact O-CB 3.27Å; G193-K197 PolarHBondContact O-N 2.97Å
194I97.4Very high97.4Very high85 Ų8595.3 Ų95.344%0.43649%0.494SS..Hα-helixtrans-65.6-43.8179.1-64169.5000110.5L191 F192 K197 R198L191-I194 HydrophobicContact CD2-CD1 4.09Å; L191-I194 PolarHBondContact O-N 3.44Å; F192-I194 PolarHBondContact O-N 3Å; I194-K197 PolarHBondContact O-N 2.9Å; I194-R198 WeakPolarHBondContact O-CG 3.48Å; I194-R198 PolarHBondContact O-N 2.98Å
195R97.3Very high97.1Very high125 Ų12595.5 Ų95.547%0.47249%0.493SS..Hα-helixtrans-65-42177.8-72.7176.2176.6170.1-0.4111.4N188 L191 F192 R198 A199N188-R195 PolarHBondContact OD1-NH1 3.01Å; L191-R195 HydrophobicContact CB-CG 4.37Å; L191-R195 WeakPolarHBondContact O-CB 3.46Å; L191-R195 WeakPolarHBondContact O-CG 3.47Å; L191-R195 PolarHBondContact O-N 3.41Å; F192-R195 PolarHBondContact O-N 3.44Å; R195-R198 PolarHBondContact O-N 3.47Å; R195-A199 WeakPolarHBondContact O-CB 3.29Å; R195-A199 PolarHBondContact O-N 2.95Å
196A97.8Very high96.8Very high52 Ų5297 Ų9743%0.4349%0.494SS..Hα-helixtrans-62.3-43.4175.300000112F192 G193 A199 K200F192-A196 WeakPolarHBondContact O-CB 3.41Å; F192-A196 PolarHBondContact O-N 3.38Å; G193-A196 PolarHBondContact O-N 2.92Å; A196-A199 PolarHBondContact O-N 3.08Å; A196-K200 PolarHBondContact O-N 3.3Å
197K97.9Very high96.4Very high132 Ų13292.9 Ų92.957%0.57449%0.487SS*.Hα-helixtrans-61.1-50.6176179.3176.3169.11770111.8G193 I194 A199 K200 E201G193-K197 WeakPolarHBondContact O-CB 3.27Å; G193-K197 PolarHBondContact O-N 2.97Å; I194-K197 PolarHBondContact O-N 2.9Å; K197-A199 VanDerWaalsContact C-N 3.32Å; K197-A199 PolarHBondContact O-N 3.35Å; K197-K200 WeakPolarHBondContact O-CB 3.43Å; K197-K200 PolarHBondContact O-N 2.74Å; K197-K200 VanDerWaalsContact O-N 3.11Å; K197-E201 WeakPolarHBondContact CE-OE1 3.37Å; K197-E201 HydrophobicContact CG-CG 4.42Å; K197-E201 IonicContact NZ-OE1 3.91Å; K197-E201 WeakPolarHBondContact O-CG 3.4Å; K197-E201 PolarHBondContact O-N 3.28Å
198R97.1Very high95.8Very high174 Ų17498.4 Ų98.466%0.65751%0.509SS*.Hα-helixtrans-61.8-38.8179-73.2179.8-178.6177.5-1.1112.6I194 R195 K200 E201 A202I194-R198 WeakPolarHBondContact O-CG 3.48Å; I194-R198 PolarHBondContact O-N 2.98Å; R195-R198 PolarHBondContact O-N 3.47Å; R198-K200 VanDerWaalsContact C-N 3.3Å; R198-E201 PolarHBondContact O-N 3.01Å; R198-A202 VanDerWaalsContact O-CB 3.27Å; R198-A202 WeakPolarHBondContact O-CB 3.43Å; R198-A202 PolarHBondContact O-N 3.08Å
199A97.1Very high95.2Very high63 Ų63102.7 Ų102.752%0.52152%0.524SS..Hα-helixtrans-63.4-38.9175.400000111.6R195 A196 K197 A203R195-A199 WeakPolarHBondContact O-CB 3.29Å; R195-A199 PolarHBondContact O-N 2.95Å; A196-A199 PolarHBondContact O-N 3.08Å; K197-A199 VanDerWaalsContact C-N 3.32Å; K197-A199 PolarHBondContact O-N 3.35Å; A199-A203 WeakPolarHBondContact O-CB 3.37Å; A199-A203 PolarHBondContact O-N 3.18Å; A199-A203 VanDerWaalsContact O-N 3.08Å
200K97.3Very high94.3Very high135 Ų135107.7 Ų107.759%0.58753%0.531SS*.Hα-helixtrans-67-48.1175.2-176.5178.2168.6179.40112A196 K197 R198 A202 A203 E204A196-K200 PolarHBondContact O-N 3.3Å; K197-K200 WeakPolarHBondContact O-CB 3.43Å; K197-K200 PolarHBondContact O-N 2.74Å; K197-K200 VanDerWaalsContact O-N 3.11Å; R198-K200 VanDerWaalsContact C-N 3.3Å; K200-A202 VanDerWaalsContact C-N 3.35Å; K200-A202 PolarHBondContact O-N 3.35Å; K200-A203 PolarHBondContact O-N 2.85Å; K200-E204 WeakPolarHBondContact CE-OE1 3.15Å; K200-E204 IonicContact NZ-OE1 2.68Å; K200-E204 WeakPolarHBondContact O-CG 3.4Å; K200-E204 PolarHBondContact O-N 3.22Å
201E96.3Very high92.9Very high78 Ų78109.3 Ų109.336%0.36454%0.543SS..Hα-helixtrans-61.3-42.3178.2-71.1172.1158.900111.7K197 R198 E204 Q205K197-E201 WeakPolarHBondContact CE-OE1 3.37Å; K197-E201 HydrophobicContact CG-CG 4.42Å; K197-E201 IonicContact NZ-OE1 3.91Å; K197-E201 WeakPolarHBondContact O-CG 3.4Å; K197-E201 PolarHBondContact O-N 3.28Å; R198-E201 PolarHBondContact O-N 3.01Å; E201-E204 PolarHBondContact O-N 3.42Å; E201-Q205 WeakPolarHBondContact O-CG 3.14Å; E201-Q205 PolarHBondContact O-N 3.4Å
202A96.1Very high92.6Very high43 Ų43112.3 Ų112.336%0.35556%0.557SS.*Hα-helixtrans-62.5-43.1175.500000111.7R198 K200 E204 Q205 D206R198-A202 VanDerWaalsContact O-CB 3.27Å; R198-A202 WeakPolarHBondContact O-CB 3.43Å; R198-A202 PolarHBondContact O-N 3.08Å; K200-A202 VanDerWaalsContact C-N 3.35Å; K200-A202 PolarHBondContact O-N 3.35Å; A202-E204 PolarHBondContact O-N 3.35Å; A202-Q205 PolarHBondContact O-N 3.33Å; A202-D206 WeakPolarHBondContact O-CB 3.36Å; A202-D206 VanDerWaalsContact O-CG 3.29Å; A202-D206 PolarHBondContact O-N 2.98Å
203A95.1Very high92.3Very high53 Ų53109.9 Ų109.944%0.43855%0.55SS.*Hα-helixtrans-64.2-38.4175.900000112.6A199 K200 D206 V207A199-A203 WeakPolarHBondContact O-CB 3.37Å; A199-A203 PolarHBondContact O-N 3.18Å; A199-A203 VanDerWaalsContact O-N 3.08Å; K200-A203 PolarHBondContact O-N 2.85Å; A203-D206 PolarHBondContact O-N 3.28Å; A203-V207 VanDerWaalsContact O-CG2 3.27Å; A203-V207 WeakPolarHBondContact O-CG2 3.45Å; A203-V207 PolarHBondContact O-N 3.1Å
204E93.9Very high92Very high103 Ų103113.5 Ų113.548%0.48155%0.554SS.*Hα-helixtrans-65.1-43.2175.1-74.3172177.100111.6K200 E201 A202 D206 V207 E208K200-E204 WeakPolarHBondContact CE-OE1 3.15Å; K200-E204 IonicContact NZ-OE1 2.68Å; K200-E204 WeakPolarHBondContact O-CG 3.4Å; K200-E204 PolarHBondContact O-N 3.22Å; E201-E204 PolarHBondContact O-N 3.42Å; A202-E204 PolarHBondContact O-N 3.35Å; E204-D206 PolarHBondContact O-N 2.88Å; E204-V207 PolarHBondContact O-N 3.16Å; E204-E208 PolarHBondContact O-N 3.11Å
205Q92.9Very high91.7Very high111 Ų111115.2 Ų115.252%0.51956%0.561SS.*Hα-helixtrans-63.5-39174.2-72.5177.71.400112.5E201 A202 V207 E208 K209E201-Q205 WeakPolarHBondContact O-CG 3.14Å; E201-Q205 PolarHBondContact O-N 3.4Å; A202-Q205 PolarHBondContact O-N 3.33Å; Q205-V207 VanDerWaalsContact C-N 3.29Å; Q205-V207 PolarHBondContact O-N 2.99Å; Q205-E208 PolarHBondContact O-N 3.26Å; Q205-K209 WeakPolarHBondContact O-CB 3.41Å; Q205-K209 VanDerWaalsContact O-CG 3.32Å; Q205-K209 WeakPolarHBondContact O-CG 3.43Å; Q205-K209 PolarHBondContact O-N 3.38Å
206D92.2Very high91.4Very high89 Ų89114.6 Ų114.648%0.47657%0.567SS.*Hα-helixtrans-69-28.8176.5-72.8-22000112.4A202 A203 E204 K210A202-D206 WeakPolarHBondContact O-CB 3.36Å; A202-D206 VanDerWaalsContact O-CG 3.29Å; A202-D206 PolarHBondContact O-N 2.98Å; A203-D206 PolarHBondContact O-N 3.28Å; E204-D206 PolarHBondContact O-N 2.88Å; D206-K210 VanDerWaalsContact O-CG 3.32Å; D206-K210 WeakPolarHBondContact O-CG 3.44Å; D206-K210 PolarHBondContact O-N 3.3Å
207V90.3Very high90.9Very high85 Ų85118.7 Ų118.752%0.51558%0.576SS.*Hα-helixtrans-73.3-42.5171.8169.10000110.8A203 E204 Q205 K209 K210 K211A203-V207 VanDerWaalsContact O-CG2 3.27Å; A203-V207 WeakPolarHBondContact O-CG2 3.45Å; A203-V207 PolarHBondContact O-N 3.1Å; E204-V207 PolarHBondContact O-N 3.16Å; Q205-V207 VanDerWaalsContact C-N 3.29Å; Q205-V207 PolarHBondContact O-N 2.99Å; V207-K209 VanDerWaalsContact C-N 3.35Å; V207-K210 PolarHBondContact O-N 2.94Å; V207-K211 PolarHBondContact O-N 3.31Å
208E84.6Confident90.4Very high142 Ų142117.8 Ų117.866%0.66458%0.576SS**Hα-helixtrans-63.3-40.5176.3-170.8173.8-16400111.7E204 Q205 K210 K211E204-E208 PolarHBondContact O-N 3.11Å; Q205-E208 PolarHBondContact O-N 3.26Å; E208-K210 PolarHBondContact O-N 3.34Å; E208-K211 PolarHBondContact O-N 2.73Å
209K85.3Confident89.9Confident158 Ų158113.5 Ų113.569%0.68757%0.57SS**THydrogen-bonded Turntrans-65-20.7173.9-76.9176.4-178.1172.80114.7Q205 V207Q205-K209 WeakPolarHBondContact O-CB 3.41Å; Q205-K209 VanDerWaalsContact O-CG 3.32Å; Q205-K209 WeakPolarHBondContact O-CG 3.43Å; Q205-K209 PolarHBondContact O-N 3.38Å; V207-K209 VanDerWaalsContact C-N 3.35Å
210K79.7Confident89.3Confident187 Ų187117.7 Ų117.781%0.81357%0.574SS**THydrogen-bonded Turntrans-92.9-12.6178.6-77.6178.7-178.7-178.80113.1D206 V207 E208D206-K210 VanDerWaalsContact O-CG 3.32Å; D206-K210 WeakPolarHBondContact O-CG 3.44Å; D206-K210 PolarHBondContact O-N 3.3Å; V207-K210 PolarHBondContact O-N 2.94Å; E208-K210 PolarHBondContact O-N 3.34Å
211K68.5Low88.6Confident228 Ų228116.1 Ų116.199%0.99157%0.573SS**  trans-81.80168.4-73.5-177.9176.6-1790109.6V207 E208V207-K211 PolarHBondContact O-N 3.31Å; E208-K211 PolarHBondContact O-N 2.73Å

Retrieved 211 of 211 residues in 161 ms (Link to these results)