A0A061INU3_CRIGR Loading...

Transmembrane protein 59-like

AlphaFold DB , UniProt , Accession A0A061INU3, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene LOC113833390, Length 337 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
1M50Low52.8Low236 Ų236114.1 Ų114.1100%1.16367%0.672SS**  0-3.90-64.5-122.6-88.800114.3
2A48.9Very low52.9Low85 Ų85114.3 Ų114.370%0.70267%0.667SS**  trans-86.7-14-179.700000115.3
3A52.3Low52.7Low91 Ų91115.5 Ų115.575%0.75267%0.668SS**THydrogen-bonded Turntrans-80.7-16.7-17400000114.8
4V51.1Low52.3Low112 Ų112117.6 Ų117.668%0.67967%0.674SS**THydrogen-bonded Turntrans-93.6-13.8-178.3-173.90000112P7V4-P7 WeakPolarHBondContact O-CD 3.29Å; V4-P7 WeakPolarHBondContact O-CG 3.3Å
5A53.8Low51.9Low60 Ų60114.5 Ų114.550%0.49667%0.668SS.*Hα-helixtrans-77.2-32.3-178.300000113.1L8 L9A5-L8 PolarHBondContact O-N 3.46Å; A5-L9 WeakPolarHBondContact O-CB 3.34Å; A5-L9 PolarHBondContact O-N 3.46Å
6L52.5Low51.1Low136 Ų136113.6 Ų113.671%0.71267%0.67SS**Hα-helixtrans-61.7-47.9179.9-120.294.7000114.3L8 L9 L10L6-L8 VanDerWaalsContact C-N 3.32Å; L6-L8 PolarHBondContact O-N 3.01Å; L6-L9 PolarHBondContact O-N 3.05Å; L6-L10 PolarHBondContact O-N 3.05Å; L6-L10 VanDerWaalsContact O-N 3.12Å
7P56.4Low50.5Low68 Ų68114.1 Ų114.144%0.44268%0.677SS.*Hα-helixtrans-69-32.8179.425.6-33.5000111.9V4 L10 L11V4-P7 WeakPolarHBondContact O-CD 3.29Å; V4-P7 WeakPolarHBondContact O-CG 3.3Å; P7-L10 PolarHBondContact O-N 2.91Å; P7-L11 WeakPolarHBondContact O-CD1 3.34Å; P7-L11 PolarHBondContact O-N 3.19Å
8L54.2Low50Low113 Ų113113.2 Ų113.259%0.59269%0.685SS**Hα-helixtrans-68.8-37.6177.6-150.788.7000111.9A5 L6 L10 L11 L12A5-L8 PolarHBondContact O-N 3.46Å; L6-L8 VanDerWaalsContact C-N 3.32Å; L6-L8 PolarHBondContact O-N 3.01Å; L8-L10 VanDerWaalsContact C-N 3.34Å; L8-L11 PolarHBondContact O-N 3.36Å; L8-L12 WeakPolarHBondContact O-CD1 3.47Å; L8-L12 WeakPolarHBondContact O-CG 3.49Å; L8-L12 PolarHBondContact O-N 2.94Å
9L54.6Low49.6Very low114 Ų114111.8 Ų111.860%0.59769%0.686SS**Hα-helixtrans-67.5-36175.2-155.378.8000111.5A5 L6 L12 L13A5-L9 WeakPolarHBondContact O-CB 3.34Å; A5-L9 PolarHBondContact O-N 3.46Å; L6-L9 PolarHBondContact O-N 3.05Å; L9-L12 PolarHBondContact O-N 3.08Å; L9-L13 WeakPolarHBondContact O-CD1 3.45Å; L9-L13 PolarHBondContact O-N 2.87Å; L9-L13 VanDerWaalsContact O-N 3.15Å
10L53.2Low49.1Very low117 Ų117112.6 Ų112.661%0.61369%0.694SS**Hα-helixtrans-66.7-40.8174.9-13983.1000111.7L6 P7 L8 L12 L13 L14L6-L10 PolarHBondContact O-N 3.05Å; L6-L10 VanDerWaalsContact O-N 3.12Å; P7-L10 PolarHBondContact O-N 2.91Å; L8-L10 VanDerWaalsContact C-N 3.34Å; L10-L12 VanDerWaalsContact C-N 3.33Å; L10-L12 PolarHBondContact O-N 3.11Å; L10-L13 PolarHBondContact O-N 3.15Å; L10-L14 WeakPolarHBondContact O-CD1 3.13Å; L10-L14 PolarHBondContact O-N 3.38Å
11L54.4Low48.7Very low123 Ų123110.8 Ų110.864%0.64469%0.69SS**Hα-helixtrans-66-32.2174.9-96.2123.6000113.1P7 L8 L14P7-L11 WeakPolarHBondContact O-CD1 3.34Å; P7-L11 PolarHBondContact O-N 3.19Å; L8-L11 PolarHBondContact O-N 3.36Å; L11-L14 PolarHBondContact O-N 3.12Å
12L53.1Low48.6Very low117 Ų117105.1 Ų105.161%0.61367%0.671SS**Hα-helixtrans-73.8-30.2175.5-80.2157.7000113L8 L9 L10 L14 A15L8-L12 WeakPolarHBondContact O-CD1 3.47Å; L8-L12 WeakPolarHBondContact O-CG 3.49Å; L8-L12 PolarHBondContact O-N 2.94Å; L9-L12 PolarHBondContact O-N 3.08Å; L10-L12 VanDerWaalsContact C-N 3.33Å; L10-L12 PolarHBondContact O-N 3.11Å; L12-L14 VanDerWaalsContact C-N 3.32Å; L12-A15 PolarHBondContact O-N 2.95Å
13L50.7Low48.2Very low130 Ų130106.1 Ų106.168%0.68168%0.679SS**Hα-helixtrans-71.7-24.9174-82.1152.9000113L9 L10 A15L9-L13 WeakPolarHBondContact O-CD1 3.45Å; L9-L13 PolarHBondContact O-N 2.87Å; L9-L13 VanDerWaalsContact O-N 3.15Å; L10-L13 PolarHBondContact O-N 3.15Å; L13-A15 VanDerWaalsContact C-N 3.35Å
14L46.7Very low48.1Very low145 Ų145111.9 Ų111.976%0.75968%0.681SS**THydrogen-bonded Turntrans-81.9-10.1175.8-82.1147.6000113.7L10 L11 L12L10-L14 WeakPolarHBondContact O-CD1 3.13Å; L10-L14 PolarHBondContact O-N 3.38Å; L11-L14 PolarHBondContact O-N 3.12Å; L12-L14 VanDerWaalsContact C-N 3.32Å
15A46.2Very low48.2Very low70 Ų70109.4 Ų109.458%0.57966%0.664SS**  trans-103.836.3-176.100000113.3L12 L13L12-A15 PolarHBondContact O-N 2.95Å; L13-A15 VanDerWaalsContact C-N 3.35Å
16S39.7Very low48.4Very low100 Ų100111.6 Ų111.670%0.69967%0.673SS**  trans-74.6124.9167-77.60000109.9A18S16-A18 PolarHBondContact O-N 2.7Å
17P40.9Very low48.4Very low122 Ų122111.4 Ų111.479%0.79267%0.667SS**  trans-64.2121.6175.825.4-31000109A19P17-A19 PolarHBondContact O-N 3.41Å
18A41.2Very low48.3Very low99 Ų99110.6 Ų110.682%0.81867%0.666SS**  trans-52.8114172.700000109.3S16S16-A18 PolarHBondContact O-N 2.7Å
19A41.9Very low48.5Very low86 Ų86110.7 Ų110.771%0.71167%0.673SS**PPolyproline II helixtrans-57.4139167.600000108.8P17 A21P17-A19 PolarHBondContact O-N 3.41Å; A19-A21 PolarHBondContact O-N 2.96Å
20P40.1Very low48.6Very low128 Ų128112.6 Ų112.683%0.83168%0.679SS**PPolyproline II helixtrans-61.4116.3-178.824.3-31.9000109.3
21A41.3Very low49Very low74 Ų74108.7 Ų108.761%0.61266%0.659SS**PPolyproline II helixtrans-60.1135.6173.900000109.1A19 A23A19-A21 PolarHBondContact O-N 2.96Å; A21-A23 PolarHBondContact O-N 3.45Å
22P46.6Very low49.5Very low117 Ų117105.2 Ų105.276%0.7665%0.652SS**PPolyproline II helixtrans-58.4137.6172.726.1-33.3000108.4R24P22-R24 PolarHBondContact O-N 3.22Å
23A41.3Very low50.4Low107 Ų107105.5 Ų105.588%0.88466%0.655SS**  trans-3599.3-17600000111.9A21 D25A21-A23 PolarHBondContact O-N 3.45Å; A23-D25 PolarHBondContact O-N 3.01Å
24R50.5Low51.7Low211 Ų211100.1 Ų100.180%0.79663%0.627SS**  trans-71.7120.9173.8-92.8-177.7169.4162.2-2.9107P22P22-R24 PolarHBondContact O-N 3.22Å
25D53.8Low53.4Low60 Ų6098.5 Ų98.532%0.32162%0.616SS.*  trans-60.7125.3174.9-161.1-34.9000109.3A23 F27 A28 R77A23-D25 PolarHBondContact O-N 3.01Å; D25-F27 PolarHBondContact O-N 3.1Å; D25-F27 WeakPolarHBondContact OD1-CD2 3.4Å; D25-A28 VanDerWaalsContact O-CB 3.24Å; D25-A28 WeakPolarHBondContact O-CB 3.47Å; D25-A28 PolarHBondContact O-N 2.66Å; D25-R77 IonicContact OD2-CZ 2.66Å; D25-R77 IonicContact OD2-NH1 2.71Å; D25-R77 PolarHBondContact OD2-NH1 3.43Å
26P57.8Low55.3Low106 Ų106104 Ų10469%0.68862%0.621SS**THydrogen-bonded Turntrans-58.5-16.4-176.419.8-31.9000114.2P29P26-P29 WeakPolarHBondContact O-CD 3.28Å
27F51.8Low57.5Low133 Ų13399.2 Ų99.258%0.58359%0.588SS**THydrogen-bonded Turntrans-89.8-7.8177.1-59.7-77000114.1D25 P29 Q30 L31D25-F27 PolarHBondContact O-N 3.1Å; D25-F27 WeakPolarHBondContact OD1-CD2 3.4Å; F27-P29 VanDerWaalsContact C-N 3.31Å; F27-Q30 PolarHBondContact O-N 3.37Å; F27-L31 HydrophobicContact CB-CD1 3.73Å; F27-L31 WeakPolarHBondContact O-CD1 3.25Å; F27-L31 PolarHBondContact O-N 3.24Å
28A55Low59.7Low51 Ų5195.1 Ų95.142%0.42156%0.559SS.*THydrogen-bonded Turntrans-53.4-34.1179.200000115.4D25 Q30D25-A28 VanDerWaalsContact O-CB 3.24Å; D25-A28 WeakPolarHBondContact O-CB 3.47Å; D25-A28 PolarHBondContact O-N 2.66Å; A28-Q30 VanDerWaalsContact C-N 3.31Å; A28-Q30 PolarHBondContact O-N 2.95Å
29P57.4Low61.9Low114 Ų11495.5 Ų95.574%0.7454%0.544SS*.THydrogen-bonded Turntrans-71.2-25.4176.3-13.628.2000113.4P26 F27P26-P29 WeakPolarHBondContact O-CD 3.28Å; F27-P29 VanDerWaalsContact C-N 3.31Å
30Q57.4Low64Low154 Ų15496.1 Ų96.172%0.7253%0.527SS*.THydrogen-bonded Turntrans-89-21-173.7-64.8-100.5-17.400112.5F27 A28 G32F27-Q30 PolarHBondContact O-N 3.37Å; A28-Q30 VanDerWaalsContact C-N 3.31Å; A28-Q30 PolarHBondContact O-N 2.95Å; Q30-G32 PolarHBondContact O-N 2.91Å
31L61.5Low66.4Low36 Ų3690.2 Ų90.219%0.18849%0.489CS..SBendtrans-90.311.2-171.3-91.578.9000115.4F27 R77 S80 I81F27-L31 HydrophobicContact CB-CD1 3.73Å; F27-L31 WeakPolarHBondContact O-CD1 3.25Å; F27-L31 PolarHBondContact O-N 3.24Å; L31-R77 HydrophobicContact CD2-CB 3.92Å; L31-R77 HydrophobicContact CD2-CG 4.29Å; L31-S80 WeakPolarHBondContact O-CB 3.29Å; L31-S80 PolarHBondContact O-OG 2.92Å; L31-I81 HydrophobicContact CD1-CG1 4.46Å; L31-I81 HydrophobicContact CD2-CD1 3.9Å; L31-I81 HydrophobicContact CD2-CG1 3.65Å; L31-I81 HydrophobicContact CG-CG1 3.96Å
32G64.9Low68.6Low49 Ų4993.6 Ų93.651%0.50549%0.486SS..  trans67.1177.1-175.900000113.2Q30 T34Q30-G32 PolarHBondContact O-N 2.91Å; G32-T34 PolarHBondContact O-N 2.9Å
33N71.5Confident70.3Confident123 Ų12394.6 Ų94.666%0.65848%0.481SS*.  trans-77.393.7-173.3-166.4-4.6000111.8Q35N33-Q35 VanDerWaalsContact C-N 3.3Å; N33-Q35 VanDerWaalsContact OD1-CB 3.24Å; N33-Q35 WeakPolarHBondContact OD1-CB 3.43Å; N33-Q35 VanDerWaalsContact OD1-CG 3.32Å; N33-Q35 WeakPolarHBondContact OD1-CG 3.45Å; N33-Q35 PolarHBondContact OD1-N 3.47Å; N33-Q35 VanDerWaalsContact OD1-N 3.14Å
34T78.2Confident72Confident17 Ų1798.6 Ų98.610%0.10447%0.473CS..  trans-852.6174.861.40000113.5G32 R36 C37 Q38 S80G32-T34 PolarHBondContact O-N 2.9Å; T34-R36 PolarHBondContact O-N 3.17Å; T34-C37 PolarHBondContact O-N 3.17Å; T34-Q38 WeakPolarHBondContact O-CG 3.42Å; T34-Q38 PolarHBondContact O-N 2.89Å; T34-Q38 PolarHBondContact OG1-NE2 3.34Å; T34-S80 WeakPolarHBondContact CG2-OG 3.27Å
35Q82.3Confident72.8Confident112 Ų11290.5 Ų90.552%0.52344%0.444SS..Hα-helixtrans-64.4-38.7-172.4-68.3-164.6-21.200113N33 C37 Q38 Q39N33-Q35 VanDerWaalsContact C-N 3.3Å; N33-Q35 VanDerWaalsContact OD1-CB 3.24Å; N33-Q35 WeakPolarHBondContact OD1-CB 3.43Å; N33-Q35 VanDerWaalsContact OD1-CG 3.32Å; N33-Q35 WeakPolarHBondContact OD1-CG 3.45Å; N33-Q35 PolarHBondContact OD1-N 3.47Å; N33-Q35 VanDerWaalsContact OD1-N 3.14Å; Q35-C37 VanDerWaalsContact C-N 3.29Å; Q35-C37 PolarHBondContact O-N 3.27Å; Q35-Q38 PolarHBondContact O-N 3.4Å; Q35-Q39 WeakPolarHBondContact O-CB 3.32Å; Q35-Q39 WeakPolarHBondContact O-CG 3.41Å; Q35-Q39 PolarHBondContact O-N 3.01Å
36R85.3Confident73Confident184 Ų18492 Ų9269%0.69446%0.457SS*.Hα-helixtrans-61.3-40.8177.5-168.1176.5-175.9-1770.5111.1T34 R40T34-R36 PolarHBondContact O-N 3.17Å; R36-R40 PolarHBondContact O-N 3.06Å; R36-R40 VanDerWaalsContact O-N 3.15Å
37C87.4Confident73Confident1 Ų189.4 Ų89.41%0.00745%0.449CS..Hα-helixtrans-67.5-45.7177-171.20000112.8T34 Q35 Q39 R40 C41 C76 G118 Q122T34-C37 PolarHBondContact O-N 3.17Å; Q35-C37 VanDerWaalsContact C-N 3.29Å; Q35-C37 PolarHBondContact O-N 3.27Å; C37-Q39 VanDerWaalsContact C-N 3.33Å; C37-Q39 PolarHBondContact O-N 3.4Å; C37-R40 PolarHBondContact O-N 3.11Å; C37-R40 VanDerWaalsContact O-N 3.1Å; C37-C41 PolarHBondContact O-N 3.38Å; C37-C41 PolarHBondContact O-SG 3.37Å; C37-C41 VanDerWaalsContact O-SG 3.41Å; C37-C76 VanDerWaalsContact C-SG 3.59Å; C37-C76 HydrophobicContact CB-CB 3.72Å; C37-C76 WeakPolarHBondContact CB-SG 3.08Å; C37-C76 WeakPolarHBondContact SG-CB 3.45Å; C37-C76 CovalentContact SG-SG 2.04Å; C37-C76 PolarHBondContact SG-SG 3.39Å; C37-G118 PolarHBondContact SG-O 2.73Å; C37-Q122 HydrophobicContact CB-CG 3.91Å; C37-Q122 VanDerWaalsContact CB-OE1 3.3Å
38Q87.1Confident72.8Confident35 Ų3587.9 Ų87.916%0.16445%0.453CS..Hα-helixtrans-60.8-40.4176.6-68.5170.40.300112.3T34 Q35 R40 C41 R42 D73T34-Q38 WeakPolarHBondContact O-CG 3.42Å; T34-Q38 PolarHBondContact O-N 2.89Å; T34-Q38 PolarHBondContact OG1-NE2 3.34Å; Q35-Q38 PolarHBondContact O-N 3.4Å; Q38-R40 VanDerWaalsContact C-N 3.32Å; Q38-R40 PolarHBondContact O-N 3.09Å; Q38-C41 PolarHBondContact O-N 3.06Å; Q38-R42 WeakPolarHBondContact O-CG 3.25Å; Q38-R42 PolarHBondContact O-N 3.33Å; Q38-R42 VanDerWaalsContact O-N 3.09Å; Q38-D73 WeakPolarHBondContact CA-OD1 3.42Å; Q38-D73 WeakPolarHBondContact CG-OD1 3.48Å
39Q86.6Confident72.4Confident108 Ų10890.3 Ų90.351%0.50546%0.464SS..Hα-helixtrans-61.3-43.4174.7-76179.2-200111.3Q35 C37 R42 Q43Q35-Q39 WeakPolarHBondContact O-CB 3.32Å; Q35-Q39 WeakPolarHBondContact O-CG 3.41Å; Q35-Q39 PolarHBondContact O-N 3.01Å; C37-Q39 VanDerWaalsContact C-N 3.33Å; C37-Q39 PolarHBondContact O-N 3.4Å; Q39-R42 PolarHBondContact O-N 2.04Å; Q39-Q43 WeakPolarHBondContact O-CG 3.48Å; Q39-Q43 PolarHBondContact O-N 2.87Å
40R86.8Confident72Confident98 Ų9891.3 Ų91.337%0.3747%0.471SS..Hα-helixtrans-67.3-37.3179.2-151.917248-127.1-55.2112.2R36 C37 Q38 R42 Q43 R44 G121R36-R40 PolarHBondContact O-N 3.06Å; R36-R40 VanDerWaalsContact O-N 3.15Å; C37-R40 PolarHBondContact O-N 3.11Å; C37-R40 VanDerWaalsContact O-N 3.1Å; Q38-R40 VanDerWaalsContact C-N 3.32Å; Q38-R40 PolarHBondContact O-N 3.09Å; R40-R42 VanDerWaalsContact C-N 3.32Å; R40-R42 PolarHBondContact O-N 3.35Å; R40-Q43 PolarHBondContact O-N 2.95Å; R40-R44 PolarHBondContact O-N 2.05Å; R40-G121 PolarHBondContact NH1-O 3.41Å; R40-G121 PolarHBondContact NH2-O 3.15Å
41C89.1Confident71.3Confident4 Ų489.4 Ų89.43%0.02747%0.469CS..Hα-helixtrans-57.5-43.2170.7-69.40000111.9C37 Q38 H45 C72 C76C37-C41 PolarHBondContact O-N 3.38Å; C37-C41 PolarHBondContact O-SG 3.37Å; C37-C41 VanDerWaalsContact O-SG 3.41Å; Q38-C41 PolarHBondContact O-N 3.06Å; C41-H45 PolarHBondContact O-N 3.38Å; C41-C72 HydrophobicContact CB-CB 3.7Å; C41-C72 WeakPolarHBondContact CB-SG 3.14Å; C41-C72 VanDerWaalsContact SG-C 3.59Å; C41-C72 WeakPolarHBondContact SG-CB 3.36Å; C41-C72 CovalentContact SG-SG 2.04Å; C41-C72 PolarHBondContact SG-SG 3.26Å; C41-C76 PolarHBondContact SG-SG 3.31Å
42R87.5Confident70.4Confident146 Ų14695.8 Ų95.855%0.55150%0.499SS*.Hα-helixtrans-69.4-36.4177.5-67.7174.4-172.1175.52.7113Q38 Q39 R40 H45 I69Q38-R42 WeakPolarHBondContact O-CG 3.25Å; Q38-R42 PolarHBondContact O-N 3.33Å; Q38-R42 VanDerWaalsContact O-N 3.09Å; Q39-R42 PolarHBondContact O-N 2.04Å; R40-R42 VanDerWaalsContact C-N 3.32Å; R40-R42 PolarHBondContact O-N 3.35Å; R42-H45 CarbonylContact O-C 3.58Å; R42-H45 PolarHBondContact O-N 3.47Å; R42-H45 VanDerWaalsContact O-O 3.13Å; R42-I69 HydrophobicContact CG-CG2 4.17Å
43Q83.4Confident69.6Low138 Ų13898.8 Ų98.865%0.64551%0.509SS*.Hα-helixtrans-70.9-33.8178.5-72.4174.416.300112.7Q39 R40 H45 P46Q39-Q43 WeakPolarHBondContact O-CG 3.48Å; Q39-Q43 PolarHBondContact O-N 2.87Å; R40-Q43 PolarHBondContact O-N 2.95Å; Q43-H45 PolarHBondContact O-N 3.28Å; Q43-P46 VanDerWaalsContact O-CD 3.27Å; Q43-P46 WeakPolarHBondContact O-CD 3.38Å
44R76.2Confident67.8Low191 Ų191101.6 Ų101.672%0.72152%0.518SS*.Hα-helixtrans-69.1-26.5177.2-15576-176.1132.9-1.2112.7R40 P46R40-R44 PolarHBondContact O-N 2.05Å; R44-P46 VanDerWaalsContact O-CD 3.25Å; R44-P46 WeakPolarHBondContact O-CD 3.45Å
45H68.9Low66.5Low41 Ų41106.2 Ų106.219%0.1955%0.548CS..SBendtrans-114.964.4172.7-64.9-64.7000110C41 R42 Q43 G47 K65 I69C41-H45 PolarHBondContact O-N 3.38Å; R42-H45 CarbonylContact O-C 3.58Å; R42-H45 PolarHBondContact O-N 3.47Å; R42-H45 VanDerWaalsContact O-O 3.13Å; Q43-H45 PolarHBondContact O-N 3.28Å; H45-G47 PolarHBondContact O-N 2.87Å; H45-K65 HydrophobicContact CB-CD 4.44Å; H45-K65 HydrophobicContact CB-CG 4.03Å; H45-K65 WeakPolarHBondContact O-CE 3.41Å; H45-K65 PolarHBondContact O-NZ 3.39Å; H45-I69 HydrophobicContact CB-CD1 3.8Å; H45-I69 HydrophobicContact CB-CG1 3.7Å
46P58Low64.5Low90 Ų90109.5 Ų109.558%0.58456%0.564SS**  trans-64.6124.3-174.928.2-31.5000108.7Q43 R44 K65Q43-P46 VanDerWaalsContact O-CD 3.27Å; Q43-P46 WeakPolarHBondContact O-CD 3.38Å; R44-P46 VanDerWaalsContact O-CD 3.25Å; R44-P46 WeakPolarHBondContact O-CD 3.45Å; P46-K65 PolarHBondContact O-NZ 3.17Å
47G56.6Low63Low52 Ų52104.3 Ų104.354%0.53657%0.568SS.*  trans-37.2145.6176.500000112.5H45H45-G47 PolarHBondContact O-N 2.87Å
48P47.8Very low61.1Low102 Ų102108.9 Ų108.966%0.66260%0.597SS**  trans-51.6133.9167.623-30000108.4
49P45.7Very low59.5Low101 Ų101111 Ų11166%0.65662%0.616SS**  trans-58.8148.7178.723.7-32000109.7V51P49-V51 VanDerWaalsContact C-N 3.31Å; P49-V51 HydrophobicContact CB-CG2 4.48Å; P49-V51 PolarHBondContact O-N 3.44Å
50P49.6Very low58.1Low136 Ų136113.2 Ų113.288%0.88363%0.627SS**  trans-74.288.1175.930.7-31.4000108.5
51V43.6Very low56.9Low113 Ų113112.7 Ų112.769%0.68564%0.638SS**  trans-135.9111.3171.8-176.50000109.6P49P49-V51 VanDerWaalsContact C-N 3.31Å; P49-V51 HydrophobicContact CB-CG2 4.48Å; P49-V51 PolarHBondContact O-N 3.44Å
52Q41.7Very low55.8Low171 Ų171115.6 Ų115.680%0.79966%0.658SS**  trans45.7146147.9-67.2-96.2-13.500119.5E54Q52-E54 PolarHBondContact O-N 3.29Å
53P48.2Very low55.1Low112 Ų112113.5 Ų113.573%0.72766%0.658SS**  trans-79109.7-169.732-29.9000110.8
54E33.5Very low55Low181 Ų181111.4 Ų111.485%0.84665%0.651SS**  trans-134.9148.2153.9-90.5-14895.200112.2Q52Q52-E54 PolarHBondContact O-N 3.29Å
55P51.6Low55.3Low114 Ų114104.3 Ų104.374%0.7463%0.625SS**  trans-106.990.5-153.128.4-10.7000110.5
56Q40.6Very low56.2Low181 Ų181105.1 Ų105.185%0.84664%0.639SS**SBendtrans-138.1128.8160.1-66.8-174.410.200108.8P58Q56-P58 WeakPolarHBondContact O-CD 3.09Å
57G52.6Low57.7Low76 Ų76103.8 Ų103.878%0.78463%0.629SS**  trans-31.8108.3-164.800000116.7
58P48.9Very low59.3Low96 Ų96103 Ų10362%0.62361%0.613SS**  trans-99.5-2.2-171.61.518.6000115.7Q56Q56-P58 WeakPolarHBondContact O-CD 3.09Å
59S53.2Low61.3Low80 Ų8099.7 Ų99.756%0.55959%0.589SS**Hα-helixtrans-81.2-37.8-164.449.20000114.4N63S59-N63 WeakPolarHBondContact O-CB 3.07Å; S59-N63 VanDerWaalsContact O-CG 3.25Å; S59-N63 PolarHBondContact O-N 3.08Å; S59-N63 PolarHBondContact O-ND2 3.46Å
60E55.6Low63.4Low155 Ų15597 Ų9772%0.72457%0.573SS**Hα-helixtrans-74.9-38.4-176.3-68.4-171.1147.900113N63 N64E60-N63 PolarHBondContact O-N 3.06Å; E60-N64 WeakPolarHBondContact O-CB 3.09Å; E60-N64 VanDerWaalsContact O-CG 3.24Å; E60-N64 PolarHBondContact O-N 2.71Å; E60-N64 PolarHBondContact O-ND2 3.24Å
61S61.7Low65.4Low86 Ų8690.5 Ų90.560%0.60153%0.531SS*.Hα-helixtrans-69.5-38.1-178.867.50000112.5K65S61-K65 WeakPolarHBondContact O-CB 3.49Å; S61-K65 PolarHBondContact O-N 2.91Å; S61-K65 VanDerWaalsContact O-N 3.16Å
62S66.9Low67.8Low65 Ų6585.3 Ų85.346%0.45550%0.499SS..Hα-helixtrans-66.4-44.3175.5-172.20000111.6K65 A66S62-K65 PolarHBondContact O-N 3.08Å; S62-A66 PolarHBondContact O-N 2.63Å; S62-A66 VanDerWaalsContact O-N 3.08Å
63N71.8Confident70.1Confident103 Ų10378.7 Ų78.755%0.55147%0.469SS*.Hα-helixtrans-66.3-44.3177.6-75.2-29.1000112.1S59 E60 K65 A66 V67S59-N63 WeakPolarHBondContact O-CB 3.07Å; S59-N63 VanDerWaalsContact O-CG 3.25Å; S59-N63 PolarHBondContact O-N 3.08Å; S59-N63 PolarHBondContact O-ND2 3.46Å; E60-N63 PolarHBondContact O-N 3.06Å; N63-K65 PolarHBondContact O-N 2.85Å; N63-A66 PolarHBondContact O-N 3.35Å; N63-V67 VanDerWaalsContact O-CG2 3.29Å; N63-V67 WeakPolarHBondContact O-CG2 3.2Å; N63-V67 PolarHBondContact O-N 3.05Å
64N81.8Confident72.1Confident93 Ų9380 Ų8050%0.49746%0.46SS..Hα-helixtrans-58.2-39.8176.6-78.9-42.6000111.6E60 V67 L68E60-N64 WeakPolarHBondContact O-CB 3.09Å; E60-N64 VanDerWaalsContact O-CG 3.24Å; E60-N64 PolarHBondContact O-N 2.71Å; E60-N64 PolarHBondContact O-ND2 3.24Å; N64-V67 WeakPolarHBondContact O-CB 3.33Å; N64-V67 PolarHBondContact O-N 2.77Å; N64-L68 WeakPolarHBondContact O-CG 3.12Å; N64-L68 PolarHBondContact O-N 2.87Å
65K83.6Confident74.8Confident42 Ų4271.4 Ų71.418%0.18342%0.42CS..Hα-helixtrans-68.9-40.9178-177.1179.5175.6-1760113.7H45 P46 S61 S62 N63 V67 L68 I69H45-K65 HydrophobicContact CB-CD 4.44Å; H45-K65 HydrophobicContact CB-CG 4.03Å; H45-K65 WeakPolarHBondContact O-CE 3.41Å; H45-K65 PolarHBondContact O-NZ 3.39Å; P46-K65 PolarHBondContact O-NZ 3.17Å; S61-K65 WeakPolarHBondContact O-CB 3.49Å; S61-K65 PolarHBondContact O-N 2.91Å; S61-K65 VanDerWaalsContact O-N 3.16Å; S62-K65 PolarHBondContact O-N 3.08Å; N63-K65 PolarHBondContact O-N 2.85Å; K65-V67 PolarHBondContact O-N 3.26Å; K65-L68 PolarHBondContact O-N 3.37Å; K65-I69 HydrophobicContact CG-CD1 4.17Å; K65-I69 WeakPolarHBondContact O-CG1 3.45Å; K65-I69 PolarHBondContact O-N 3.15Å
66A86.8Confident76.6Confident58 Ų5866 Ų6648%0.47938%0.384SS..Hα-helixtrans-60.5-37.2173.700000111.3S62 N63 I69 S70S62-A66 PolarHBondContact O-N 2.63Å; S62-A66 VanDerWaalsContact O-N 3.08Å; N63-A66 PolarHBondContact O-N 3.35Å; A66-I69 PolarHBondContact O-N 3.33Å; A66-S70 WeakPolarHBondContact O-CB 3.46Å; A66-S70 PolarHBondContact O-N 3.23Å
67V89.5Confident79Confident63 Ų6361.2 Ų61.238%0.38236%0.359SS..Hα-helixtrans-64.3-42.6174.2174.60000111.5N63 N64 K65 S70 A71 E111N63-V67 VanDerWaalsContact O-CG2 3.29Å; N63-V67 WeakPolarHBondContact O-CG2 3.2Å; N63-V67 PolarHBondContact O-N 3.05Å; N64-V67 WeakPolarHBondContact O-CB 3.33Å; N64-V67 PolarHBondContact O-N 2.77Å; K65-V67 PolarHBondContact O-N 3.26Å; V67-S70 PolarHBondContact O-N 3.31Å; V67-A71 PolarHBondContact O-N 3.42Å; V67-E111 HydrophobicContact CG1-CG 3.97Å; V67-E111 VanDerWaalsContact CG1-OE1 3.27Å; V67-E111 WeakPolarHBondContact CG1-OE1 3.18Å
68L89.8Confident80.7Confident36 Ų3660 Ų6019%0.18833%0.334CS..Hα-helixtrans-63.7-45.4175.4-64.3176.3000112.4N64 K65 S70 A71 C72 A110 E111 A114N64-L68 WeakPolarHBondContact O-CG 3.12Å; N64-L68 PolarHBondContact O-N 2.87Å; K65-L68 PolarHBondContact O-N 3.37Å; L68-S70 VanDerWaalsContact C-N 3.31Å; L68-S70 PolarHBondContact O-N 2.97Å; L68-A71 WeakPolarHBondContact O-CB 3.47Å; L68-A71 PolarHBondContact O-N 2.82Å; L68-A71 VanDerWaalsContact O-N 3.11Å; L68-C72 PolarHBondContact O-N 2.99Å; L68-A110 VanDerWaalsContact CD2-C 3.42Å; L68-A110 HydrophobicContact CD2-CB 3.85Å; L68-A110 VanDerWaalsContact CD2-O 3.25Å; L68-A110 WeakPolarHBondContact CD2-O 3.4Å; L68-E111 HydrophobicContact CD2-CG 4.2Å; L68-A114 HydrophobicContact CB-CB 4.16Å; L68-A114 HydrophobicContact CD2-CB 4.07Å; L68-A114 WeakPolarHBondContact O-CB 3.18Å
69I89.8Confident82.6Confident32 Ų3255.6 Ų55.616%0.16431%0.305CS..Hα-helixtrans-61.6-42.3176.9-65.5167.2000110.3R42 H45 K65 A66 A71 C72 D73R42-I69 HydrophobicContact CG-CG2 4.17Å; H45-I69 HydrophobicContact CB-CD1 3.8Å; H45-I69 HydrophobicContact CB-CG1 3.7Å; K65-I69 HydrophobicContact CG-CD1 4.17Å; K65-I69 WeakPolarHBondContact O-CG1 3.45Å; K65-I69 PolarHBondContact O-N 3.15Å; A66-I69 PolarHBondContact O-N 3.33Å; I69-A71 VanDerWaalsContact C-N 3.29Å; I69-A71 PolarHBondContact O-N 2.82Å; I69-C72 PolarHBondContact O-N 2.95Å; I69-D73 PolarHBondContact O-N 3.48Å
70S90.5Very high84.1Confident44 Ų4452.6 Ų52.631%0.30828%0.284SS..Hα-helixtrans-64.5-32.7175.8179.70000112.8A66 V67 L68 R74A66-S70 WeakPolarHBondContact O-CB 3.46Å; A66-S70 PolarHBondContact O-N 3.23Å; V67-S70 PolarHBondContact O-N 3.31Å; L68-S70 VanDerWaalsContact C-N 3.31Å; L68-S70 PolarHBondContact O-N 2.97Å; S70-R74 VanDerWaalsContact O-CG 3.28Å; S70-R74 WeakPolarHBondContact O-CG 3.33Å; S70-R74 PolarHBondContact O-N 3.22Å; S70-R74 PolarHBondContact OG-NH2 3.41Å
71A92.6Very high85.5Confident0 Ų048.9 Ų48.90%027%0.268CS..Hα-helixtrans-70.1-40.9174.700000111.4V67 L68 I69 R74 G75 Y106 E111 A114V67-A71 PolarHBondContact O-N 3.42Å; L68-A71 WeakPolarHBondContact O-CB 3.47Å; L68-A71 PolarHBondContact O-N 2.82Å; L68-A71 VanDerWaalsContact O-N 3.11Å; I69-A71 VanDerWaalsContact C-N 3.29Å; I69-A71 PolarHBondContact O-N 2.82Å; A71-R74 WeakPolarHBondContact O-CB 3.38Å; A71-R74 PolarHBondContact O-N 3.39Å; A71-G75 PolarHBondContact O-N 3.48Å; A71-Y106 WeakPolarHBondContact CA-OH 3.48Å; A71-Y106 HydrophobicContact CB-CE1 4.03Å; A71-Y106 HydrophobicContact CB-CE2 4.46Å; A71-E111 HydrophobicContact CB-CB 4.33Å; A71-A114 HydrophobicContact CB-CB 4.15Å
72C92.3Very high86.6Confident4 Ų445.7 Ų45.73%0.02725%0.246CC..Hα-helixtrans-62.8-45.4174.2-169.70000112.4C41 L68 I69 R74 G75 C76 A114C41-C72 HydrophobicContact CB-CB 3.7Å; C41-C72 WeakPolarHBondContact CB-SG 3.14Å; C41-C72 VanDerWaalsContact SG-C 3.59Å; C41-C72 WeakPolarHBondContact SG-CB 3.36Å; C41-C72 CovalentContact SG-SG 2.04Å; C41-C72 PolarHBondContact SG-SG 3.26Å; L68-C72 PolarHBondContact O-N 2.99Å; I69-C72 PolarHBondContact O-N 2.95Å; C72-R74 PolarHBondContact O-N 2.97Å; C72-G75 WeakPolarHBondContact O-CA 3.48Å; C72-G75 PolarHBondContact O-N 3.2Å; C72-C76 PolarHBondContact O-N 3.01Å; C72-C76 PolarHBondContact O-SG 3.32Å; C72-C76 VanDerWaalsContact O-SG 3.41Å; C72-A114 WeakPolarHBondContact CA-O 3.42Å; C72-A114 WeakPolarHBondContact CB-O 3.24Å
73D90.2Very high87.4Confident32 Ų3250.2 Ų50.217%0.17125%0.253CS..Hα-helixtrans-61.1-32.5176.9-76.7-14.4000112.2Q38 I69 R77Q38-D73 WeakPolarHBondContact CA-OD1 3.42Å; Q38-D73 WeakPolarHBondContact CG-OD1 3.48Å; I69-D73 PolarHBondContact O-N 3.48Å; D73-R77 WeakPolarHBondContact O-CG 3.05Å; D73-R77 PolarHBondContact O-N 3.04Å
74R90.3Very high87.8Confident140 Ų14051.3 Ų51.353%0.52825%0.253SS..Hα-helixtrans-70.9-41.8173-73.5169.3-172154.67.9111.8S70 A71 C72 C76 R77 L78 Y106S70-R74 VanDerWaalsContact O-CG 3.28Å; S70-R74 WeakPolarHBondContact O-CG 3.33Å; S70-R74 PolarHBondContact O-N 3.22Å; S70-R74 PolarHBondContact OG-NH2 3.41Å; A71-R74 WeakPolarHBondContact O-CB 3.38Å; A71-R74 PolarHBondContact O-N 3.39Å; C72-R74 PolarHBondContact O-N 2.97Å; R74-C76 PolarHBondContact O-N 3.49Å; R74-R77 PolarHBondContact O-N 3.34Å; R74-L78 WeakPolarHBondContact O-CB 3.41Å; R74-L78 PolarHBondContact O-N 3.36Å; R74-Y106 VanDerWaalsContact CD-OH 3.25Å; R74-Y106 WeakPolarHBondContact CD-OH 3.43Å; R74-Y106 PolarHBondContact NH1-OH 2.94Å; R74-Y106 VanDerWaalsContact NH1-OH 3.1Å
75G91Very high87.9Confident0 Ų051.9 Ų51.90%026%0.259CS..Hα-helixtrans-57.2-45.2172.500000112.6A71 C72 R77 L78 F79A71-G75 PolarHBondContact O-N 3.48Å; C72-G75 WeakPolarHBondContact O-CA 3.48Å; C72-G75 PolarHBondContact O-N 3.2Å; G75-R77 VanDerWaalsContact C-N 3.26Å; G75-R77 PolarHBondContact O-N 3.23Å; G75-L78 PolarHBondContact O-N 3.16Å; G75-L78 VanDerWaalsContact O-N 3.17Å; G75-F79 PolarHBondContact O-N 3.22Å
76C90.2Very high87.4Confident0 Ų051.1 Ų51.10%026%0.261CS..Hα-helixtrans-57.3-38.1175.8-65.10000112.9C37 C41 C72 R74 G118C37-C76 VanDerWaalsContact C-SG 3.59Å; C37-C76 HydrophobicContact CB-CB 3.72Å; C37-C76 WeakPolarHBondContact CB-SG 3.08Å; C37-C76 WeakPolarHBondContact SG-CB 3.45Å; C37-C76 CovalentContact SG-SG 2.04Å; C37-C76 PolarHBondContact SG-SG 3.39Å; C41-C76 PolarHBondContact SG-SG 3.31Å; C72-C76 PolarHBondContact O-N 3.01Å; C72-C76 PolarHBondContact O-SG 3.32Å; C72-C76 VanDerWaalsContact O-SG 3.41Å; R74-C76 PolarHBondContact O-N 3.49Å; C76-G118 WeakPolarHBondContact CA-O 3.11Å
77R89.3Confident86.1Confident81 Ų8157.9 Ų57.931%0.30627%0.274SS..Hα-helixtrans-74.3-41.4177.4-71.1175.4175.9-164.2-2.3111.6D25 L31 D73 R74 G75 F79 S80 I81D25-R77 IonicContact OD2-CZ 2.66Å; D25-R77 IonicContact OD2-NH1 2.71Å; D25-R77 PolarHBondContact OD2-NH1 3.43Å; L31-R77 HydrophobicContact CD2-CB 3.92Å; L31-R77 HydrophobicContact CD2-CG 4.29Å; D73-R77 WeakPolarHBondContact O-CG 3.05Å; D73-R77 PolarHBondContact O-N 3.04Å; R74-R77 PolarHBondContact O-N 3.34Å; G75-R77 VanDerWaalsContact C-N 3.26Å; G75-R77 PolarHBondContact O-N 3.23Å; R77-F79 VanDerWaalsContact C-N 3.33Å; R77-F79 PolarHBondContact O-N 3.08Å; R77-S80 WeakPolarHBondContact O-CB 3.47Å; R77-S80 PolarHBondContact O-N 2.94Å; R77-I81 WeakPolarHBondContact O-CG1 3.34Å; R77-I81 PolarHBondContact O-N 3.29Å; R77-I81 VanDerWaalsContact O-N 3.12Å
78L88.5Confident84.5Confident50 Ų5060.6 Ų60.626%0.26230%0.296SS..Hα-helixtrans-60.4-44.7179.6-172.562.7000111.1R74 G75 S80 I81 C82 A101R74-L78 WeakPolarHBondContact O-CB 3.41Å; R74-L78 PolarHBondContact O-N 3.36Å; G75-L78 PolarHBondContact O-N 3.16Å; G75-L78 VanDerWaalsContact O-N 3.17Å; L78-S80 VanDerWaalsContact C-N 3.33Å; L78-S80 PolarHBondContact O-N 3.47Å; L78-I81 WeakPolarHBondContact O-CB 3.19Å; L78-I81 PolarHBondContact O-N 2.99Å; L78-C82 PolarHBondContact O-N 3.26Å; L78-C82 PolarHBondContact O-SG 2.04Å; L78-C82 VanDerWaalsContact O-SG 3.34Å; L78-A101 HydrophobicContact CD2-CB 3.73Å
79F88.6Confident83.1Confident4 Ų461.1 Ų61.12%0.01830%0.303CS..Hα-helixtrans-59.1-42.5175.9-176-89.6000112.6G75 R77 I81 C82 R83 E95 C98 C119 Q122G75-F79 PolarHBondContact O-N 3.22Å; R77-F79 VanDerWaalsContact C-N 3.33Å; R77-F79 PolarHBondContact O-N 3.08Å; F79-I81 VanDerWaalsContact C-N 3.28Å; F79-I81 PolarHBondContact O-N 3.35Å; F79-C82 PolarHBondContact O-N 2.89Å; F79-R83 VanDerWaalsContact O-CB 3.25Å; F79-R83 WeakPolarHBondContact O-CB 3.48Å; F79-R83 PolarHBondContact O-N 3.12Å; F79-E95 HydrophobicContact CE2-CB 4.27Å; F79-C98 HydrophobicContact CD2-CB 4.28Å; F79-C119 HydrophobicContact CD2-CB 4.39Å; F79-C119 WeakPolarHBondContact CD2-O 3.38Å; F79-Q122 HydrophobicContact CB-CB 4.49Å; F79-Q122 HydrophobicContact CB-CG 4.5Å; F79-Q122 HydrophobicContact CD1-CB 3.16Å; F79-Q122 HydrophobicContact CD1-CG 3.88Å; F79-Q122 HydrophobicContact CE1-CB 3.37Å; F79-Q122 HydrophobicContact CG-CB 3.94Å; F79-Q122 HydrophobicContact CG-CG 4.45Å; F79-Q122 HydrophobicContact CZ-CB 4.3Å
80S86.1Confident81.8Confident17 Ų1769.5 Ų69.512%0.11933%0.332CS..Hα-helixtrans-59.9-38.8175-75.60000112.4L31 T34 R77 L78 F84 Q122L31-S80 WeakPolarHBondContact O-CB 3.29Å; L31-S80 PolarHBondContact O-OG 2.92Å; T34-S80 WeakPolarHBondContact CG2-OG 3.27Å; R77-S80 WeakPolarHBondContact O-CB 3.47Å; R77-S80 PolarHBondContact O-N 2.94Å; L78-S80 VanDerWaalsContact C-N 3.33Å; L78-S80 PolarHBondContact O-N 3.47Å; S80-F84 WeakPolarHBondContact O-CB 3.1Å; S80-F84 PolarHBondContact O-N 3.41Å; S80-Q122 PolarHBondContact OG-NE2 3.47Å
81I85.2Confident80.9Confident77 Ų7769.8 Ų69.840%0.39533%0.332SS..Hα-helixtrans-68.3-51.1176.9-62.3165.4000110.2L31 R77 L78 F79 R83 F84 V85L31-I81 HydrophobicContact CD1-CG1 4.46Å; L31-I81 HydrophobicContact CD2-CD1 3.9Å; L31-I81 HydrophobicContact CD2-CG1 3.65Å; L31-I81 HydrophobicContact CG-CG1 3.96Å; R77-I81 WeakPolarHBondContact O-CG1 3.34Å; R77-I81 PolarHBondContact O-N 3.29Å; R77-I81 VanDerWaalsContact O-N 3.12Å; L78-I81 WeakPolarHBondContact O-CB 3.19Å; L78-I81 PolarHBondContact O-N 2.99Å; F79-I81 VanDerWaalsContact C-N 3.28Å; F79-I81 PolarHBondContact O-N 3.35Å; I81-R83 VanDerWaalsContact C-N 3.28Å; I81-R83 PolarHBondContact O-N 3.26Å; I81-F84 PolarHBondContact O-N 2.94Å; I81-F84 VanDerWaalsContact O-N 3.09Å; I81-V85 HydrophobicContact CG2-CG2 4.23Å; I81-V85 WeakPolarHBondContact O-CG2 3.42Å; I81-V85 PolarHBondContact O-N 2.94Å
82C84.9Confident80.3Confident19 Ų1974.7 Ų74.713%0.12836%0.358CS..Hα-helixtrans-56-44.9178.9-66.60000111L78 F79 F84 V85 A86L78-C82 PolarHBondContact O-N 3.26Å; L78-C82 PolarHBondContact O-SG 2.04Å; L78-C82 VanDerWaalsContact O-SG 3.34Å; F79-C82 PolarHBondContact O-N 2.89Å; C82-F84 PolarHBondContact O-N 3.26Å; C82-V85 PolarHBondContact O-N 2.97Å; C82-A86 WeakPolarHBondContact O-CB 3.34Å; C82-A86 PolarHBondContact O-N 3.03Å
83R82.3Confident79.7Confident159 Ų15976.2 Ų76.260%0.637%0.371SS*.Hα-helixtrans-64.6-37.7176.9-170.1-177.7123.698.41113.1F79 I81 T94F79-R83 VanDerWaalsContact O-CB 3.25Å; F79-R83 WeakPolarHBondContact O-CB 3.48Å; F79-R83 PolarHBondContact O-N 3.12Å; I81-R83 VanDerWaalsContact C-N 3.28Å; I81-R83 PolarHBondContact O-N 3.26Å; R83-T94 HydrophobicContact CB-CG2 4.5Å
84F80.6Confident79.4Confident126 Ų12674.9 Ų74.955%0.55336%0.364SS*.Hα-helixtrans-68.7-44.1177179.9-98.3000111.9S80 I81 C82S80-F84 WeakPolarHBondContact O-CB 3.1Å; S80-F84 PolarHBondContact O-N 3.41Å; I81-F84 PolarHBondContact O-N 2.94Å; I81-F84 VanDerWaalsContact O-N 3.09Å; C82-F84 PolarHBondContact O-N 3.26Å
85V83.2Confident79.2Confident105 Ų10569 Ų6964%0.63634%0.342SS*.Hα-helixtrans-66.5-40.9179.2173.60000110.8I81 C82 R87I81-V85 HydrophobicContact CG2-CG2 4.23Å; I81-V85 WeakPolarHBondContact O-CG2 3.42Å; I81-V85 PolarHBondContact O-N 2.94Å; C82-V85 PolarHBondContact O-N 2.97Å; V85-R87 VanDerWaalsContact C-N 3.26Å; V85-R87 PolarHBondContact O-N 2.89Å
86A74.9Confident79.1Confident26 Ų2672.8 Ų72.822%0.21537%0.366CS..THydrogen-bonded Turntrans-78.9-0.5-172.200000115.2C82 S88 S89 T94C82-A86 WeakPolarHBondContact O-CB 3.34Å; C82-A86 PolarHBondContact O-N 3.03Å; A86-S88 PolarHBondContact O-N 3.45Å; A86-S89 WeakPolarHBondContact CB-OG 3.25Å; A86-S89 PolarHBondContact O-N 3.38Å; A86-S89 VanDerWaalsContact O-N 3.17Å; A86-T94 HydrophobicContact CB-CG2 3.91Å
87R59.2Low79Confident201 Ų20177.4 Ų77.476%0.75839%0.387SS*.THydrogen-bonded Turntrans36.9-13.2170.9-95.9-174.6173.798.7-1.8121.2V85V85-R87 VanDerWaalsContact C-N 3.26Å; V85-R87 PolarHBondContact O-N 2.89Å
88S54.5Low79.1Confident120 Ų12073.5 Ų73.584%0.83937%0.373SS*.THydrogen-bonded Turntrans-168.53.9-178.260.80000114.4A86A86-S88 PolarHBondContact O-N 3.45Å
89S60.8Low79.3Confident47 Ų4774.8 Ų74.833%0.32938%0.377SS..  trans-73.1149.5177.367.60000111.4A86 T94A86-S89 WeakPolarHBondContact CB-OG 3.25Å; A86-S89 PolarHBondContact O-N 3.38Å; A86-S89 VanDerWaalsContact O-N 3.17Å; S89-T94 WeakPolarHBondContact OG-CG2 3.28Å
90R63.5Low79.4Confident208 Ų20876.7 Ų76.779%0.78539%0.394SS*.  trans-56.9147.2175.6-67.3-177.5-174.5172.91.8109.4N92 A93 T94R90-N92 PolarHBondContact O-N 3.24Å; R90-A93 WeakPolarHBondContact O-CB 3.43Å; R90-A93 PolarHBondContact O-N 3.46Å; R90-T94 PolarHBondContact O-N 3.21Å
91T72Confident79.7Confident50 Ų5077.4 Ų77.431%0.30740%0.401SS..Hα-helixtrans-46.5-38.217547.20000112.5A93 T94 E95T91-A93 VanDerWaalsContact C-N 3.35Å; T91-A93 PolarHBondContact O-N 2.98Å; T91-T94 WeakPolarHBondContact CA-OG1 3.42Å; T91-T94 PolarHBondContact O-N 3.18Å; T91-T94 PolarHBondContact O-OG1 3.46Å; T91-E95 WeakPolarHBondContact O-CB 3.4Å; T91-E95 PolarHBondContact O-N 2.95Å
92N78.1Confident80.1Confident103 Ų10373.8 Ų73.855%0.55138%0.382SS*.Hα-helixtrans-65.8-34.5-179.7-55.21.8000112.7R90 T96R90-N92 PolarHBondContact O-N 3.24Å; N92-T96 WeakPolarHBondContact O-CG2 2.98Å; N92-T96 PolarHBondContact O-N 3.42Å; N92-T96 PolarHBondContact O-OG1 2.73Å
93A81Confident80.5Confident36 Ų3675.9 Ų75.930%0.29840%0.395SS..Hα-helixtrans-72.2-44.4176.800000110.8R90 T91 E95 T96 E97R90-A93 WeakPolarHBondContact O-CB 3.43Å; R90-A93 PolarHBondContact O-N 3.46Å; T91-A93 VanDerWaalsContact C-N 3.35Å; T91-A93 PolarHBondContact O-N 2.98Å; A93-E95 PolarHBondContact O-N 3.23Å; A93-T96 PolarHBondContact O-N 2.88Å; A93-T96 PolarHBondContact O-OG1 3.05Å; A93-E97 WeakPolarHBondContact O-CG 3.21Å; A93-E97 PolarHBondContact O-N 3.22Å
94T83.8Confident81Confident3 Ų376.1 Ų76.12%0.01840%0.403CS..Hα-helixtrans-63.4-30.7177.251.50000113R83 A86 S89 R90 T91 C98R83-T94 HydrophobicContact CB-CG2 4.5Å; A86-T94 HydrophobicContact CB-CG2 3.91Å; S89-T94 WeakPolarHBondContact OG-CG2 3.28Å; R90-T94 PolarHBondContact O-N 3.21Å; T91-T94 WeakPolarHBondContact CA-OG1 3.42Å; T91-T94 PolarHBondContact O-N 3.18Å; T91-T94 PolarHBondContact O-OG1 3.46Å; T94-C98 WeakPolarHBondContact O-CB 3.47Å; T94-C98 PolarHBondContact O-N 3.41Å; T94-C98 VanDerWaalsContact O-N 3.08Å
95E85.8Confident81.6Confident16 Ų1673.6 Ų73.68%0.07541%0.405CS..Hα-helixtrans-69.8-46.2176.3-172.5-172.993.400111.3F79 T91 A93 E97 C98 E99 W120 T123F79-E95 HydrophobicContact CE2-CB 4.27Å; T91-E95 WeakPolarHBondContact O-CB 3.4Å; T91-E95 PolarHBondContact O-N 2.95Å; A93-E95 PolarHBondContact O-N 3.23Å; E95-E97 VanDerWaalsContact C-N 3.3Å; E95-E97 PolarHBondContact O-N 2.99Å; E95-C98 WeakPolarHBondContact O-CB 2.75Å; E95-C98 PolarHBondContact O-N 3.3Å; E95-C98 VanDerWaalsContact O-N 3.15Å; E95-E99 PolarHBondContact O-N 3.19Å; E95-W120 HydrophobicContact CG-CD2 4.22Å; E95-W120 HydrophobicContact CG-CE3 4.31Å; E95-W120 HydrophobicContact CG-CH2 4.45Å; E95-W120 HydrophobicContact CG-CZ2 4.31Å; E95-W120 HydrophobicContact CG-CZ3 4.44Å; E95-W120 WeakPolarHBondContact OE1-CH2 3.33Å; E95-W120 WeakPolarHBondContact OE1-CZ2 3.22Å; E95-W120 WeakPolarHBondContact OE1-CZ3 3.34Å; E95-W120 WeakPolarHBondContact OE2-CZ3 3.21Å; E95-T123 PolarHBondContact OE2-OG1 3.27Å
96T87.9Confident81.9Confident81 Ų8169.8 Ų69.850%0.49738%0.379SS..Hα-helixtrans-63.8-35.5176.355.30000112.7N92 A93 A100N92-T96 WeakPolarHBondContact O-CG2 2.98Å; N92-T96 PolarHBondContact O-N 3.42Å; N92-T96 PolarHBondContact O-OG1 2.73Å; A93-T96 PolarHBondContact O-N 2.88Å; A93-T96 PolarHBondContact O-OG1 3.05Å; T96-A100 WeakPolarHBondContact O-CB 2.82Å; T96-A100 PolarHBondContact O-N 3.03Å
97E89.3Confident82.7Confident96 Ų9675.7 Ų75.745%0.44941%0.412SS..Hα-helixtrans-66-40.5173.9-73.2174.1-166.500111.6A93 E95 A101A93-E97 WeakPolarHBondContact O-CG 3.21Å; A93-E97 PolarHBondContact O-N 3.22Å; E95-E97 VanDerWaalsContact C-N 3.3Å; E95-E97 PolarHBondContact O-N 2.99Å; E97-A101 WeakPolarHBondContact O-CB 3.44Å; E97-A101 PolarHBondContact O-N 3.05Å; E97-A101 VanDerWaalsContact O-N 3.15Å
98C91.3Very high84.2Confident0 Ų072.1 Ų72.10%040%0.402CS..Hα-helixtrans-66.6-43.4176.2-172.20000111.7F79 T94 E95 A101 C102 C119F79-C98 HydrophobicContact CD2-CB 4.28Å; T94-C98 WeakPolarHBondContact O-CB 3.47Å; T94-C98 PolarHBondContact O-N 3.41Å; T94-C98 VanDerWaalsContact O-N 3.08Å; E95-C98 WeakPolarHBondContact O-CB 2.75Å; E95-C98 PolarHBondContact O-N 3.3Å; E95-C98 VanDerWaalsContact O-N 3.15Å; C98-A101 PolarHBondContact O-N 2.84Å; C98-C102 PolarHBondContact O-N 3Å; C98-C102 PolarHBondContact O-SG 3.19Å; C98-C119 VanDerWaalsContact C-SG 3.54Å; C98-C119 HydrophobicContact CB-CB 3.73Å; C98-C119 WeakPolarHBondContact CB-SG 3.3Å; C98-C119 WeakPolarHBondContact SG-CB 3.38Å; C98-C119 CovalentContact SG-SG 2.04Å; C98-C119 PolarHBondContact SG-SG 3.05Å
99E91.7Very high85.9Confident76 Ų7669.5 Ų69.536%0.35539%0.388SS..Hα-helixtrans-64.7-43.7178.2-174.4171.7-164.100111.5E95 A101 C102 T103E95-E99 PolarHBondContact O-N 3.19Å; E99-A101 VanDerWaalsContact C-N 3.34Å; E99-A101 PolarHBondContact O-N 3.42Å; E99-C102 WeakPolarHBondContact O-CB 3.07Å; E99-C102 PolarHBondContact O-N 3.28Å; E99-C102 VanDerWaalsContact O-N 3.12Å; E99-T103 HydrophobicContact CG-CG2 4.39Å; E99-T103 WeakPolarHBondContact O-CG2 3.34Å; E99-T103 PolarHBondContact O-N 3.01Å
100A91.9Very high87.2Confident45 Ų4569.9 Ų69.937%0.37239%0.394SS..Hα-helixtrans-56.3-49175.300000111T96 C102 T103 E104T96-A100 WeakPolarHBondContact O-CB 2.82Å; T96-A100 PolarHBondContact O-N 3.03Å; A100-C102 VanDerWaalsContact C-N 3.32Å; A100-C102 PolarHBondContact O-N 2.57Å; A100-T103 PolarHBondContact O-N 2.04Å; A100-T103 PolarHBondContact O-OG1 3.49Å; A100-E104 PolarHBondContact O-N 3.03Å
101A92.9Very high88.4Confident31 Ų3161.5 Ų61.526%0.25636%0.364SS..Hα-helixtrans-63.1-34.717700000113.1L78 E97 C98 E99 E104 A105L78-A101 HydrophobicContact CD2-CB 3.73Å; E97-A101 WeakPolarHBondContact O-CB 3.44Å; E97-A101 PolarHBondContact O-N 3.05Å; E97-A101 VanDerWaalsContact O-N 3.15Å; C98-A101 PolarHBondContact O-N 2.84Å; E99-A101 VanDerWaalsContact C-N 3.34Å; E99-A101 PolarHBondContact O-N 3.42Å; A101-E104 PolarHBondContact O-N 3.34Å; A101-A105 VanDerWaalsContact O-CB 3.3Å; A101-A105 WeakPolarHBondContact O-CB 3.44Å; A101-A105 PolarHBondContact O-N 3.14Å
102C92.9Very high89.4Confident1 Ų162 Ų621%0.00736%0.363CS..Hα-helixtrans-65.4-37.8171.5-76.40000112.4C98 E99 A100 E104 A105 Y106 C115 C119C98-C102 PolarHBondContact O-N 3Å; C98-C102 PolarHBondContact O-SG 3.19Å; E99-C102 WeakPolarHBondContact O-CB 3.07Å; E99-C102 PolarHBondContact O-N 3.28Å; E99-C102 VanDerWaalsContact O-N 3.12Å; A100-C102 VanDerWaalsContact C-N 3.32Å; A100-C102 PolarHBondContact O-N 2.57Å; C102-E104 VanDerWaalsContact C-N 3.32Å; C102-A105 PolarHBondContact O-N 3.23Å; C102-Y106 PolarHBondContact O-N 3.21Å; C102-C115 HydrophobicContact CB-CB 3.7Å; C102-C115 WeakPolarHBondContact CB-SG 3.46Å; C102-C115 WeakPolarHBondContact SG-CB 3.33Å; C102-C115 CovalentContact SG-SG 2.05Å; C102-C115 PolarHBondContact SG-SG 3.47Å; C102-C119 VanDerWaalsContact SG-SG 3.65Å
103T92.5Very high90Very high64 Ų6464.7 Ų64.739%0.39337%0.365SS..Hα-helixtrans-69.1-31.5177.972.30000112.5E99 A100 Q112E99-T103 HydrophobicContact CG-CG2 4.39Å; E99-T103 WeakPolarHBondContact O-CG2 3.34Å; E99-T103 PolarHBondContact O-N 3.01Å; A100-T103 PolarHBondContact O-N 2.04Å; A100-T103 PolarHBondContact O-OG1 3.49Å; T103-Q112 HydrophobicContact CG2-CG 4.37Å
104E93.2Very high90.5Very high164 Ų16463.1 Ų63.177%0.76635%0.352SS*.Hα-helixtrans-75.8-36.9174.7-68.9176.9-177.100112.6A100 A101 C102A100-E104 PolarHBondContact O-N 3.03Å; A101-E104 PolarHBondContact O-N 3.34Å; C102-E104 VanDerWaalsContact C-N 3.32Å
105A92.4Very high91Very high72 Ų7263.2 Ų63.260%0.59535%0.353SS*.Hα-helixtrans-78.8-27.2-175.300000114A101 C102A101-A105 VanDerWaalsContact O-CB 3.3Å; A101-A105 WeakPolarHBondContact O-CB 3.44Å; A101-A105 PolarHBondContact O-N 3.14Å; C102-A105 PolarHBondContact O-N 3.23Å
106Y91.3Very high91.2Very high25 Ų2563.2 Ų63.210%0.09835%0.354CS..  trans-122.1116.6-172-71.7-79.4000112.8A71 R74 C102 E111 C115A71-Y106 WeakPolarHBondContact CA-OH 3.48Å; A71-Y106 HydrophobicContact CB-CE1 4.03Å; A71-Y106 HydrophobicContact CB-CE2 4.46Å; R74-Y106 VanDerWaalsContact CD-OH 3.25Å; R74-Y106 WeakPolarHBondContact CD-OH 3.43Å; R74-Y106 PolarHBondContact NH1-OH 2.94Å; R74-Y106 VanDerWaalsContact NH1-OH 3.1Å; C102-Y106 PolarHBondContact O-N 3.21Å; Y106-E111 HydrophobicContact CD1-CB 3.45Å; Y106-E111 VanDerWaalsContact CD1-CB 3.45Å; Y106-E111 HydrophobicContact CD1-CG 4.42Å; Y106-E111 VanDerWaalsContact CD1-OE2 3.29Å; Y106-E111 WeakPolarHBondContact CD1-OE2 3.32Å; Y106-E111 HydrophobicContact CE1-CB 3.88Å; Y106-E111 HydrophobicContact CG-CB 4.11Å; Y106-C115 HydrophobicContact CD2-CB 3.85Å; Y106-C115 HydrophobicContact CE2-CB 3.78Å
107V90.7Very high91.3Very high150 Ų15062.7 Ų62.791%0.90935%0.347SS*.  trans-79.8-28.4176.7-174.90000112.1
108K91.7Very high91.4Very high126 Ų12658.1 Ų58.155%0.54833%0.325SS..SBendtrans-84.4124.5179.1-68.1-177.5-159.9155.80110.5A110 E111 Q112K108-A110 PolarHBondContact O-N 3.4Å; K108-A110 VanDerWaalsContact O-N 3.11Å; K108-E111 HydrophobicContact CB-CB 4.4Å; K108-E111 HydrophobicContact CB-CG 4.27Å; K108-E111 HydrophobicContact CD-CG 4.45Å; K108-E111 WeakPolarHBondContact CD-OE1 3.38Å; K108-E111 IonicContact NZ-OE1 2.87Å; K108-E111 PolarHBondContact NZ-OE1 2.91Å; K108-E111 PolarHBondContact O-N 3.41Å; K108-E111 VanDerWaalsContact O-N 3.08Å; K108-Q112 WeakPolarHBondContact O-CB 3.24Å; K108-Q112 PolarHBondContact O-N 3.39Å
109A88.7Confident91.3Very high65 Ų6558.1 Ų58.154%0.53733%0.325SS..Hα-helixtrans-56.2-32.4-179.300000114.1R113A109-R113 WeakPolarHBondContact O-CB 3.35Å; A109-R113 PolarHBondContact O-N 3.09Å
110A88.1Confident91Very high56 Ų5660.6 Ų60.646%0.46333%0.331SS..Hα-helixtrans-70.1-43.4178.200000112.3L68 K108 A114L68-A110 VanDerWaalsContact CD2-C 3.42Å; L68-A110 HydrophobicContact CD2-CB 3.85Å; L68-A110 VanDerWaalsContact CD2-O 3.25Å; L68-A110 WeakPolarHBondContact CD2-O 3.4Å; K108-A110 PolarHBondContact O-N 3.4Å; K108-A110 VanDerWaalsContact O-N 3.11Å; A110-A114 PolarHBondContact O-N 3.39Å; A110-A114 VanDerWaalsContact O-N 3.08Å
111E89.6Confident90.1Very high31 Ų3158.9 Ų58.915%0.14532%0.318CS..Hα-helixtrans-73.1-37.4178.8-62.1176.5-164.800111.2V67 L68 A71 Y106 K108 A114 C115V67-E111 HydrophobicContact CG1-CG 3.97Å; V67-E111 VanDerWaalsContact CG1-OE1 3.27Å; V67-E111 WeakPolarHBondContact CG1-OE1 3.18Å; L68-E111 HydrophobicContact CD2-CG 4.2Å; A71-E111 HydrophobicContact CB-CB 4.33Å; Y106-E111 HydrophobicContact CD1-CB 3.45Å; Y106-E111 VanDerWaalsContact CD1-CB 3.45Å; Y106-E111 HydrophobicContact CD1-CG 4.42Å; Y106-E111 VanDerWaalsContact CD1-OE2 3.29Å; Y106-E111 WeakPolarHBondContact CD1-OE2 3.32Å; Y106-E111 HydrophobicContact CE1-CB 3.88Å; Y106-E111 HydrophobicContact CG-CB 4.11Å; K108-E111 HydrophobicContact CB-CB 4.4Å; K108-E111 HydrophobicContact CB-CG 4.27Å; K108-E111 HydrophobicContact CD-CG 4.45Å; K108-E111 WeakPolarHBondContact CD-OE1 3.38Å; K108-E111 IonicContact NZ-OE1 2.87Å; K108-E111 PolarHBondContact NZ-OE1 2.91Å; K108-E111 PolarHBondContact O-N 3.41Å; K108-E111 VanDerWaalsContact O-N 3.08Å; E111-A114 PolarHBondContact O-N 3.42Å; E111-C115 WeakPolarHBondContact O-CB 3.27Å; E111-C115 PolarHBondContact O-N 3.2Å
112Q93Very high88.9Confident62 Ų6259.3 Ų59.329%0.2932%0.315SS..Hα-helixtrans-59.9-46.8173.9-177-175.2-4.200111.5T103 K108 C115 S116T103-Q112 HydrophobicContact CG2-CG 4.37Å; K108-Q112 WeakPolarHBondContact O-CB 3.24Å; K108-Q112 PolarHBondContact O-N 3.39Å; Q112-C115 WeakPolarHBondContact O-CB 3.25Å; Q112-C115 PolarHBondContact O-N 3.46Å; Q112-S116 PolarHBondContact O-N 3.01Å; Q112-S116 PolarHBondContact O-OG 3.47Å
113R90.6Very high87.6Confident159 Ų15960.7 Ų60.760%0.632%0.323SS*.Hα-helixtrans-62.9-42.4175.7-175.4179.8-66.8137.40.5111.8A109 C115 S116 E117A109-R113 WeakPolarHBondContact O-CB 3.35Å; A109-R113 PolarHBondContact O-N 3.09Å; R113-C115 VanDerWaalsContact C-N 3.31Å; R113-C115 PolarHBondContact O-N 3.44Å; R113-S116 PolarHBondContact O-N 3.21Å; R113-S116 PolarHBondContact O-OG 3.1Å; R113-E117 WeakPolarHBondContact O-CB 3.34Å; R113-E117 VanDerWaalsContact O-CG 3.28Å; R113-E117 WeakPolarHBondContact O-CG 3.5Å; R113-E117 PolarHBondContact O-N 2.81Å
114A91.9Very high85.8Confident3 Ų362.2 Ų62.23%0.02533%0.334CS..Hα-helixtrans-63.6-38.3176.600000112L68 A71 C72 A110 E111 G118L68-A114 HydrophobicContact CB-CB 4.16Å; L68-A114 HydrophobicContact CD2-CB 4.07Å; L68-A114 WeakPolarHBondContact O-CB 3.18Å; A71-A114 HydrophobicContact CB-CB 4.15Å; C72-A114 WeakPolarHBondContact CA-O 3.42Å; C72-A114 WeakPolarHBondContact CB-O 3.24Å; A110-A114 PolarHBondContact O-N 3.39Å; A110-A114 VanDerWaalsContact O-N 3.08Å; E111-A114 PolarHBondContact O-N 3.42Å; A114-G118 PolarHBondContact O-N 2.97Å
115C93Very high83.7Confident4 Ų462.1 Ų62.13%0.02733%0.333CS..Hα-helixtrans-63.7-47.4174.4-173.80000111.8C102 Y106 E111 Q112 R113 E117 G118 C119C102-C115 HydrophobicContact CB-CB 3.7Å; C102-C115 WeakPolarHBondContact CB-SG 3.46Å; C102-C115 WeakPolarHBondContact SG-CB 3.33Å; C102-C115 CovalentContact SG-SG 2.05Å; C102-C115 PolarHBondContact SG-SG 3.47Å; Y106-C115 HydrophobicContact CD2-CB 3.85Å; Y106-C115 HydrophobicContact CE2-CB 3.78Å; E111-C115 WeakPolarHBondContact O-CB 3.27Å; E111-C115 PolarHBondContact O-N 3.2Å; Q112-C115 WeakPolarHBondContact O-CB 3.25Å; Q112-C115 PolarHBondContact O-N 3.46Å; R113-C115 VanDerWaalsContact C-N 3.31Å; R113-C115 PolarHBondContact O-N 3.44Å; C115-E117 PolarHBondContact O-N 2.58Å; C115-G118 WeakPolarHBondContact O-CA 3.42Å; C115-G118 PolarHBondContact O-N 3.2Å; C115-C119 PolarHBondContact O-N 2.9Å
116S91.4Very high81.3Confident16 Ų1663.4 Ų63.411%0.11234%0.335CS..Hα-helixtrans-63.6-41179.2640000111.4Q112 R113 G118 C119 W120Q112-S116 PolarHBondContact O-N 3.01Å; Q112-S116 PolarHBondContact O-OG 3.47Å; R113-S116 PolarHBondContact O-N 3.21Å; R113-S116 PolarHBondContact O-OG 3.1Å; S116-G118 PolarHBondContact O-N 3.24Å; S116-C119 WeakPolarHBondContact O-CA 3.3Å; S116-C119 WeakPolarHBondContact O-CB 3.45Å; S116-C119 PolarHBondContact O-N 3.3Å; S116-W120 PolarHBondContact O-N 3.31Å
117E89.4Confident78.8Confident71 Ų7169 Ų6933%0.33236%0.362SS..Hα-helixtrans-54.5-36.6171.4-74.6174.8-163.800112.9R113 C115 C119 W120 G121R113-E117 WeakPolarHBondContact O-CB 3.34Å; R113-E117 VanDerWaalsContact O-CG 3.28Å; R113-E117 WeakPolarHBondContact O-CG 3.5Å; R113-E117 PolarHBondContact O-N 2.81Å; C115-E117 PolarHBondContact O-N 2.58Å; E117-C119 VanDerWaalsContact C-N 3.33Å; E117-W120 PolarHBondContact O-N 3.49Å; E117-G121 PolarHBondContact O-N 3.29Å
118G90.5Very high76.4Confident0 Ų066.9 Ų66.90%035%0.35CS..Hα-helixtrans-63.7-34.7172.100000113.6C37 C76 A114 C115 S116 G121C37-G118 PolarHBondContact SG-O 2.73Å; C76-G118 WeakPolarHBondContact CA-O 3.11Å; A114-G118 PolarHBondContact O-N 2.97Å; C115-G118 WeakPolarHBondContact O-CA 3.42Å; C115-G118 PolarHBondContact O-N 3.2Å; S116-G118 PolarHBondContact O-N 3.24Å; G118-G121 PolarHBondContact O-N 2.72Å
119C90.6Very high74Confident0 Ų069.4 Ų69.40%036%0.364CS..Hα-helixtrans-65-45.5174.6-59.50000111.6F79 C98 C102 C115 S116 E117 G121F79-C119 HydrophobicContact CD2-CB 4.39Å; F79-C119 WeakPolarHBondContact CD2-O 3.38Å; C98-C119 VanDerWaalsContact C-SG 3.54Å; C98-C119 HydrophobicContact CB-CB 3.73Å; C98-C119 WeakPolarHBondContact CB-SG 3.3Å; C98-C119 WeakPolarHBondContact SG-CB 3.38Å; C98-C119 CovalentContact SG-SG 2.04Å; C98-C119 PolarHBondContact SG-SG 3.05Å; C102-C119 VanDerWaalsContact SG-SG 3.65Å; C115-C119 PolarHBondContact O-N 2.9Å; S116-C119 WeakPolarHBondContact O-CA 3.3Å; S116-C119 WeakPolarHBondContact O-CB 3.45Å; S116-C119 PolarHBondContact O-N 3.3Å; E117-C119 VanDerWaalsContact C-N 3.33Å; C119-G121 PolarHBondContact O-N 3.23Å
120W84.8Confident71.7Confident128 Ų12873.3 Ų73.349%0.48538%0.375SS..Hα-helixtrans-65.8-26178.6-6799.8000113.4E95 S116 E117 Q122 T123E95-W120 HydrophobicContact CG-CD2 4.22Å; E95-W120 HydrophobicContact CG-CE3 4.31Å; E95-W120 HydrophobicContact CG-CH2 4.45Å; E95-W120 HydrophobicContact CG-CZ2 4.31Å; E95-W120 HydrophobicContact CG-CZ3 4.44Å; E95-W120 WeakPolarHBondContact OE1-CH2 3.33Å; E95-W120 WeakPolarHBondContact OE1-CZ2 3.22Å; E95-W120 WeakPolarHBondContact OE1-CZ3 3.34Å; E95-W120 WeakPolarHBondContact OE2-CZ3 3.21Å; S116-W120 PolarHBondContact O-N 3.31Å; E117-W120 PolarHBondContact O-N 3.49Å; W120-Q122 PolarHBondContact O-N 2.92Å; W120-T123 PolarHBondContact O-N 2.95Å
121G73.9Confident69.3Low8 Ų877.3 Ų77.38%0.08238%0.384CS..THydrogen-bonded Turntrans-63.9-25.6-176.200000114.4R40 E117 G118 C119R40-G121 PolarHBondContact NH1-O 3.41Å; R40-G121 PolarHBondContact NH2-O 3.15Å; E117-G121 PolarHBondContact O-N 3.29Å; G118-G121 PolarHBondContact O-N 2.72Å; C119-G121 PolarHBondContact O-N 3.23Å
122Q66.1Low66.9Low41 Ų4184.9 Ų84.919%0.19242%0.419CS..THydrogen-bonded Turntrans-92.5-8.3-175.8-67.5-77.571.400112.7C37 F79 S80 W120 P124C37-Q122 HydrophobicContact CB-CG 3.91Å; C37-Q122 VanDerWaalsContact CB-OE1 3.3Å; F79-Q122 HydrophobicContact CB-CB 4.49Å; F79-Q122 HydrophobicContact CB-CG 4.5Å; F79-Q122 HydrophobicContact CD1-CB 3.16Å; F79-Q122 HydrophobicContact CD1-CG 3.88Å; F79-Q122 HydrophobicContact CE1-CB 3.37Å; F79-Q122 HydrophobicContact CG-CB 3.94Å; F79-Q122 HydrophobicContact CG-CG 4.45Å; F79-Q122 HydrophobicContact CZ-CB 4.3Å; S80-Q122 PolarHBondContact OG-NE2 3.47Å; W120-Q122 PolarHBondContact O-N 2.92Å; Q122-P124 WeakPolarHBondContact O-CD 3.34Å
123T65.8Low64.2Low30 Ų3091.2 Ų91.218%0.18445%0.446CS..SBendtrans-66.5120.1172.2-550000107.5E95 W120 E125E95-T123 PolarHBondContact OE2-OG1 3.27Å; W120-T123 PolarHBondContact O-N 2.95Å; T123-E125 PolarHBondContact O-N 2.99Å
124P55.7Low61.7Low96 Ų9688.5 Ų88.562%0.62345%0.447SS*.  trans-57.3114.316424.3-28.7000104.8Q122Q122-P124 WeakPolarHBondContact O-CD 3.34Å
125E48.2Very low59Low162 Ų16292.7 Ų92.776%0.75748%0.482SS*.  trans-46.6132.7166.4-103.5-155.8106.800106.1T123 E127T123-E125 PolarHBondContact O-N 2.99Å; E125-E127 PolarHBondContact O-N 3.44Å
126P43.4Very low56.7Low98 Ų98100.6 Ų100.664%0.63652%0.523SS*.  trans-58.7103.7164.225.4-29.7000105T128P126-T128 PolarHBondContact O-N 2.95Å
127E37.8Very low54.2Low142 Ų142107.3 Ų107.366%0.66455%0.553SS**  trans-66.247.5170-72.4175.7153.200109.6E125E125-E127 PolarHBondContact O-N 3.44Å
128T41.2Very low51.7Low106 Ų106109.2 Ų109.265%0.6557%0.571SS**SBendtrans-105.996.4173.1-28.70000104.8P126P126-T128 PolarHBondContact O-N 2.95Å
129Q41Very low49.5Very low180 Ų180114.5 Ų114.584%0.84161%0.605SS**SBendtrans108.82.8160.5-52.3-168.471.100119.8
130L39.4Very low47.2Very low147 Ų147119.5 Ų119.577%0.7764%0.641SS**SBendtrans-116.212.2169.7-148.481.7000115.1
131E38.1Very low45.5Very low139 Ų139117.3 Ų117.365%0.6566%0.657SS**SBendtrans-92.8-11.9168.5-98.8-159.598.700113.5K133E131-K133 VanDerWaalsContact C-N 3.33Å; E131-K133 PolarHBondContact O-N 2.85Å
132Q38.6Very low44.7Very low190 Ų190121.6 Ų121.689%0.88869%0.686SS**THydrogen-bonded Turntrans-82.5-6.1-175.9-154.3166.748.700114.3
133K37.5Very low43.9Very low195 Ų195125.6 Ų125.685%0.84871%0.708SS**THydrogen-bonded Turntrans-113.8-0.8-179.4-158.2173.9174.4-176.70115.1E131E131-K133 VanDerWaalsContact C-N 3.33Å; E131-K133 PolarHBondContact O-N 2.85Å
134T36.7Very low43.6Very low102 Ų102127.6 Ų127.663%0.62672%0.723SS**  trans-117.232.3179.4-390000112L136T134-L136 PolarHBondContact O-N 2.99Å; T134-L136 VanDerWaalsContact O-N 3.14Å
135A36.1Very low43.8Very low92 Ų92129.6 Ų129.676%0.7673%0.728SS**  trans-80.530.3171.300000113.3
136L45.2Very low44.7Very low170 Ų170127.4 Ų127.489%0.8972%0.721SS**  trans-146.561.9173.1-15776.5000111.2T134T134-L136 PolarHBondContact O-N 2.99Å; T134-L136 VanDerWaalsContact O-N 3.14Å
137E39.1Very low45.9Very low157 Ų157128.4 Ų128.473%0.73472%0.717SS**  trans-129.4122150.9-162.5-157.312400107.7P139E137-P139 WeakPolarHBondContact O-CD 3.15Å
138P36.7Very low47.4Very low110 Ų110126.3 Ų126.371%0.71471%0.71SS**PPolyproline II helixtrans-71.8121.5-179.327.7-32.2000110.3S140P138-S140 PolarHBondContact O-N 3.2Å
139P42.9Very low49Very low111 Ų111126.6 Ų126.672%0.72170%0.703SS**PPolyproline II helixtrans-71.5133.5171.44.98.3000109E137 G141E137-P139 WeakPolarHBondContact O-CD 3.15Å; P139-G141 PolarHBondContact O-N 2.78Å
140S44.1Very low50.2Low106 Ų106120.5 Ų120.574%0.74168%0.68SS**PPolyproline II helixtrans-47.3125.5177.6-46.80000111.5P138 S142P138-S140 PolarHBondContact O-N 3.2Å; S140-S142 VanDerWaalsContact C-N 3.26Å; S140-S142 PolarHBondContact O-N 3.05Å
141G48.6Very low51.8Low81 Ų81116.8 Ų116.884%0.83566%0.663SS**THydrogen-bonded Turntrans-69.945.3-15900000118.7P139P139-G141 PolarHBondContact O-N 2.78Å
142S57.4Low53.4Low98 Ų98115.3 Ų115.369%0.68566%0.659SS**THydrogen-bonded Turntrans-121-20.5171.757.20000114.4S140S140-S142 VanDerWaalsContact C-N 3.26Å; S140-S142 PolarHBondContact O-N 3.05Å
143L48.3Very low54.9Low126 Ų126108.8 Ų108.866%0.6663%0.634SS**SBendtrans-90.2-17.9176.7-66173.7000113.5L145 E147L143-L145 PolarHBondContact O-N 3.31Å; L143-E147 WeakPolarHBondContact O-CG 3.49Å; L143-E147 PolarHBondContact O-N 3.02Å
144S59.9Low56.5Low71 Ų71103.1 Ų103.150%0.49762%0.619SS.*Hα-helixtrans-68.9-32.4-177.2174.30000113.7L148S144-L148 WeakPolarHBondContact O-CD1 3.34Å; S144-L148 PolarHBondContact O-N 3.06Å
145L59.9Low58Low138 Ų138103 Ų10372%0.72361%0.614SS**Hα-helixtrans-78-32.4-175-142.2150.6000111.8L143 F149L143-L145 PolarHBondContact O-N 3.31Å; L145-F149 WeakPolarHBondContact O-CB 3.5Å; L145-F149 PolarHBondContact O-N 2.91Å
146L67.4Low59.7Low117 Ų117104.4 Ų104.461%0.61361%0.608SS**Hα-helixtrans-72.4-37.2174.4-169.169.3000111.4F149 S150L146-F149 PolarHBondContact O-N 2.82Å; L146-S150 WeakPolarHBondContact O-CB 3.43Å; L146-S150 PolarHBondContact O-N 3.4Å; L146-S150 PolarHBondContact O-OG 2.71Å
147E68.6Low60.8Low119 Ų119102.4 Ų102.456%0.55660%0.596SS**Hα-helixtrans-69.6-36.8173.5-71.9-61142.500112.4L143 F149 S150 T151L143-E147 WeakPolarHBondContact O-CG 3.49Å; L143-E147 PolarHBondContact O-N 3.02Å; E147-F149 VanDerWaalsContact C-N 3.33Å; E147-S150 WeakPolarHBondContact CA-OG 3.35Å; E147-S150 PolarHBondContact O-OG 3.5Å; E147-T151 WeakPolarHBondContact O-CB 3.48Å; E147-T151 WeakPolarHBondContact O-CG2 3.49Å; E147-T151 PolarHBondContact O-N 3.21Å; E147-T151 PolarHBondContact O-OG1 3.25Å
148L69.4Low61.9Low98 Ų9898.2 Ų98.251%0.51358%0.584SS.*Hα-helixtrans-64.3-39.7168.9-99.290.5000111.5S144 T151 L152S144-L148 WeakPolarHBondContact O-CD1 3.34Å; S144-L148 PolarHBondContact O-N 3.06Å; L148-T151 VanDerWaalsContact CA-OG1 3.31Å; L148-T151 WeakPolarHBondContact CA-OG1 3.49Å; L148-T151 PolarHBondContact O-OG1 2.78Å; L148-L152 WeakPolarHBondContact O-CB 3.45Å; L148-L152 WeakPolarHBondContact O-CD1 3.42Å; L148-L152 WeakPolarHBondContact O-CG 3.5Å; L148-L152 PolarHBondContact O-N 3.1Å
149F73.8Confident62.9Low112 Ų11296.1 Ų96.149%0.49157%0.572SS.*Hα-helixtrans-69.6-39.9178.3-174.1-100.9000111.8L145 L146 E147 L152 C153L145-F149 WeakPolarHBondContact O-CB 3.5Å; L145-F149 PolarHBondContact O-N 2.91Å; L146-F149 PolarHBondContact O-N 2.82Å; E147-F149 VanDerWaalsContact C-N 3.33Å; F149-L152 PolarHBondContact O-N 3.14Å; F149-C153 WeakPolarHBondContact CE1-SG 3.34Å; F149-C153 WeakPolarHBondContact CZ-SG 3.44Å; F149-C153 VanDerWaalsContact O-CB 3.29Å; F149-C153 WeakPolarHBondContact O-CB 3.39Å; F149-C153 PolarHBondContact O-N 3.2Å; F149-C153 PolarHBondContact O-SG 3.47Å
150S67.1Low63.5Low51 Ų5192.1 Ų92.136%0.35755%0.548SS..Hα-helixtrans-66.3-41.6178.568.40000111.4L146 E147 C153 S154L146-S150 WeakPolarHBondContact O-CB 3.43Å; L146-S150 PolarHBondContact O-N 3.4Å; L146-S150 PolarHBondContact O-OG 2.71Å; E147-S150 WeakPolarHBondContact CA-OG 3.35Å; E147-S150 PolarHBondContact O-OG 3.5Å; S150-C153 PolarHBondContact O-N 3.42Å; S150-S154 VanDerWaalsContact O-CB 3.29Å; S150-S154 WeakPolarHBondContact O-CB 3.29Å; S150-S154 PolarHBondContact O-N 3.21Å
151T73Confident63.9Low69 Ų6994.8 Ų94.842%0.42355%0.549SS..Hα-helixtrans-64.4-47174.545.70000111.3E147 L148 C153 S154 D155E147-T151 WeakPolarHBondContact O-CB 3.48Å; E147-T151 WeakPolarHBondContact O-CG2 3.49Å; E147-T151 PolarHBondContact O-N 3.21Å; E147-T151 PolarHBondContact O-OG1 3.25Å; L148-T151 VanDerWaalsContact CA-OG1 3.31Å; L148-T151 WeakPolarHBondContact CA-OG1 3.49Å; L148-T151 PolarHBondContact O-OG1 2.78Å; T151-C153 VanDerWaalsContact C-N 3.34Å; T151-C153 PolarHBondContact O-N 3.35Å; T151-S154 PolarHBondContact O-N 3.28Å; T151-D155 WeakPolarHBondContact O-CB 3.42Å; T151-D155 VanDerWaalsContact O-CG 3.23Å; T151-D155 PolarHBondContact O-N 3.32Å
152L71.9Confident64.2Low109 Ų10993.8 Ų93.857%0.57154%0.538SS*.Hα-helixtrans-62.6-37.8175.2-70.3171000112.9L148 F149 L156L148-L152 WeakPolarHBondContact O-CB 3.45Å; L148-L152 WeakPolarHBondContact O-CD1 3.42Å; L148-L152 WeakPolarHBondContact O-CG 3.5Å; L148-L152 PolarHBondContact O-N 3.1Å; F149-L152 PolarHBondContact O-N 3.14Å; L152-L156 WeakPolarHBondContact O-CB 3.43Å; L152-L156 PolarHBondContact O-N 3.42Å
153C69.9Low63.6Low52 Ų5296.4 Ų96.435%0.35154%0.538SS..Hα-helixtrans-69.5-38.1175.1-76.60000112.1F149 S150 T151 M157F149-C153 WeakPolarHBondContact CE1-SG 3.34Å; F149-C153 WeakPolarHBondContact CZ-SG 3.44Å; F149-C153 VanDerWaalsContact O-CB 3.29Å; F149-C153 WeakPolarHBondContact O-CB 3.39Å; F149-C153 PolarHBondContact O-N 3.2Å; F149-C153 PolarHBondContact O-SG 3.47Å; S150-C153 PolarHBondContact O-N 3.42Å; T151-C153 VanDerWaalsContact C-N 3.34Å; T151-C153 PolarHBondContact O-N 3.35Å; C153-M157 WeakPolarHBondContact O-CB 3.35Å; C153-M157 PolarHBondContact O-N 2.97Å
154S71.6Confident63.3Low76 Ų7696.7 Ų96.753%0.53155%0.545SS..Hα-helixtrans-64.4-43.4174.6-176.10000110.8S150 T151 M157 S158S150-S154 VanDerWaalsContact O-CB 3.29Å; S150-S154 WeakPolarHBondContact O-CB 3.29Å; S150-S154 PolarHBondContact O-N 3.21Å; T151-S154 PolarHBondContact O-N 3.28Å; S154-M157 PolarHBondContact O-N 3.46Å; S154-S158 WeakPolarHBondContact O-CB 3.31Å; S154-S158 PolarHBondContact O-N 3.36Å
155D67.3Low62.8Low99 Ų9997 Ų9753%0.52955%0.547SS..Hα-helixtrans-70.9-37.8178.8-68-18.9000112T151 S158 S159T151-D155 WeakPolarHBondContact O-CB 3.42Å; T151-D155 VanDerWaalsContact O-CG 3.23Å; T151-D155 PolarHBondContact O-N 3.32Å; D155-S158 PolarHBondContact O-OG 3.47Å; D155-S159 WeakPolarHBondContact O-CB 3.14Å; D155-S159 PolarHBondContact O-N 3.38Å
156L70.9Confident62.1Low122 Ų12294.5 Ų94.564%0.63954%0.541SS*.Hα-helixtrans-67.8-37.2172.9-175.764000111.2L152 S159 A160L152-L156 WeakPolarHBondContact O-CB 3.43Å; L152-L156 PolarHBondContact O-N 3.42Å; L156-S159 PolarHBondContact O-N 2.83Å; L156-A160 WeakPolarHBondContact O-CB 3.49Å; L156-A160 PolarHBondContact O-N 3.21Å
157M68.8Low61.3Low129 Ų12992 Ų9264%0.63553%0.53SS*.Hα-helixtrans-73-37.7177.8-169.386.9-59.500112.1C153 S154 S159 A160 Q161C153-M157 WeakPolarHBondContact O-CB 3.35Å; C153-M157 PolarHBondContact O-N 2.97Å; S154-M157 PolarHBondContact O-N 3.46Å; M157-S159 VanDerWaalsContact C-N 3.34Å; M157-A160 HydrophobicContact CE-CB 3.79Å; M157-A160 PolarHBondContact O-N 2.98Å; M157-Q161 PolarHBondContact O-N 3.31Å
158S63.1Low60.4Low68 Ų6894.3 Ų94.348%0.47653%0.534SS..Hα-helixtrans-69.8-33.9173.392.60000111.5S154 D155 Q161S154-S158 WeakPolarHBondContact O-CB 3.31Å; S154-S158 PolarHBondContact O-N 3.36Å; D155-S158 PolarHBondContact O-OG 3.47Å; S158-Q161 WeakPolarHBondContact O-CB 3.19Å; S158-Q161 PolarHBondContact O-N 3.07Å
159S57.7Low59.6Low66 Ų6693.7 Ų93.746%0.46253%0.534SS..Hα-helixtrans-68-40.9171.5-178.40000111.7D155 L156 M157 Q161 G162D155-S159 WeakPolarHBondContact O-CB 3.14Å; D155-S159 PolarHBondContact O-N 3.38Å; L156-S159 PolarHBondContact O-N 2.83Å; M157-S159 VanDerWaalsContact C-N 3.34Å; S159-Q161 PolarHBondContact O-N 3.5Å; S159-G162 PolarHBondContact O-N 3.4Å; S159-G162 VanDerWaalsContact O-N 3.08Å
160A54Low58.7Low27 Ų2795.1 Ų95.122%0.22354%0.537CS..Hα-helixtrans-69.2-19.5175.500000113.1L156 M157 G162 F163 V164L156-A160 WeakPolarHBondContact O-CB 3.49Å; L156-A160 PolarHBondContact O-N 3.21Å; M157-A160 HydrophobicContact CE-CB 3.79Å; M157-A160 PolarHBondContact O-N 2.98Å; A160-G162 PolarHBondContact O-N 3.03Å; A160-F163 PolarHBondContact O-N 3.15Å; A160-V164 PolarHBondContact O-N 3.35Å
161Q53.1Low57.9Low163 Ų16396.3 Ų96.376%0.76255%0.546SS*.THydrogen-bonded Turntrans-58.2-27169.6-128.8179.29.900111.8M157 S158 S159M157-Q161 PolarHBondContact O-N 3.31Å; S158-Q161 WeakPolarHBondContact O-CB 3.19Å; S158-Q161 PolarHBondContact O-N 3.07Å; S159-Q161 PolarHBondContact O-N 3.5Å
162G54.9Low57.2Low59 Ų5997.4 Ų97.461%0.60855%0.549SS*.THydrogen-bonded Turntrans-84.1-14.3171.100000115.3S159 A160S159-G162 PolarHBondContact O-N 3.4Å; S159-G162 VanDerWaalsContact O-N 3.08Å; A160-G162 PolarHBondContact O-N 3.03Å
163F44.8Very low56.3Low154 Ų15499.3 Ų99.368%0.67556%0.555SS**THydrogen-bonded Turntrans-103.1-12.1-178.3-83.3-83.4000114.7A160 S165 S166A160-F163 PolarHBondContact O-N 3.15Å; F163-S165 PolarHBondContact O-N 3.07Å; F163-S166 PolarHBondContact O-N 2.9Å; F163-S166 PolarHBondContact O-OG 3.3Å
164V43Very low55.8Low132 Ų132101 Ų10180%0.856%0.563SS**SBendtrans-71.5-9.5170179.90000112.1A160 S166A160-V164 PolarHBondContact O-N 3.35Å; V164-S166 PolarHBondContact O-N 3.13Å; V164-S166 VanDerWaalsContact O-N 3.15Å
165S47.9Very low55.2Low77 Ų77105.3 Ų105.354%0.53858%0.581SS.*  trans-84.748.5162.3-164.40000111.5F163 T167F163-S165 PolarHBondContact O-N 3.07Å; S165-T167 PolarHBondContact O-N 2.86Å
166S45.8Very low54.9Low86 Ų86107.1 Ų107.160%0.60159%0.59SS**  trans-74.883.9169.7-700000108.2F163 V164 W168F163-S166 PolarHBondContact O-N 2.9Å; F163-S166 PolarHBondContact O-OG 3.3Å; V164-S166 PolarHBondContact O-N 3.13Å; V164-S166 VanDerWaalsContact O-N 3.15Å; S166-W168 VanDerWaalsContact C-N 3.27Å; S166-W168 PolarHBondContact O-N 3.38Å
167T50.6Low54.1Low63 Ų63113.1 Ų113.139%0.38760%0.604SS.*  trans-69.390.8167.1-56.80000107S165 T169 Q183S165-T167 PolarHBondContact O-N 2.86Å; T167-T169 HydrophobicContact CG2-CG2 4.34Å; T167-Q183 HydrophobicContact CG2-CG 3.93Å
168W49.6Very low53.3Low168 Ų168114.1 Ų114.164%0.63661%0.605SS**  trans-75.4129.9172.964.4-75.3000108S166 T184S166-W168 VanDerWaalsContact C-N 3.27Å; S166-W168 PolarHBondContact O-N 3.38Å; W168-T184 HydrophobicContact CZ2-CG2 3.97Å
169T53.8Low52.9Low85 Ų85114.8 Ų114.852%0.52161%0.606SS.*EExtended strand (participates in β ladder)trans-121.2121.5173.844.20000107.2T167 V181 Q183T167-T169 HydrophobicContact CG2-CG2 4.34Å; T169-V181 HydrophobicContact CG2-CG1 4.37Å; T169-Q183 HydrophobicContact CG2-CB 4.49Å; T169-Q183 HydrophobicContact CG2-CG 4.41Å
170Y53.5Low52.7Low142 Ų142114.5 Ų114.556%0.55760%0.602SS**EExtended strand (participates in β ladder)trans-113.6118.7173.3-172.1-115.1000108.4L172Y170-L172 HydrophobicContact CD1-CD1 3.88Å; Y170-L172 HydrophobicContact CD1-CD2 4.39Å; Y170-L172 HydrophobicContact CD1-CG 3.71Å; Y170-L172 HydrophobicContact CE1-CD1 3.73Å; Y170-L172 HydrophobicContact CE1-CD2 3.51Å; Y170-L172 HydrophobicContact CE1-CG 3.31Å
171S50.2Low52.7Low77 Ų77117.7 Ų117.754%0.53862%0.618SS.*EExtended strand (participates in β ladder)trans-95.6111.1176.245.50000109.3
172L59.7Low52.9Low91 Ų91116.2 Ų116.248%0.47661%0.609SS.*EExtended strand (participates in β ladder)trans-92.1111.2169.1-80.7153.9000108.2Y170 T174Y170-L172 HydrophobicContact CD1-CD1 3.88Å; Y170-L172 HydrophobicContact CD1-CD2 4.39Å; Y170-L172 HydrophobicContact CD1-CG 3.71Å; Y170-L172 HydrophobicContact CE1-CD1 3.73Å; Y170-L172 HydrophobicContact CE1-CD2 3.51Å; Y170-L172 HydrophobicContact CE1-CG 3.31Å; L172-T174 PolarHBondContact O-N 3.13Å
173Q51.3Low52.5Low150 Ų150119.5 Ų119.570%0.70161%0.609SS**EExtended strand (participates in β ladder)trans-87.9101.3171-164.3169.513.900107.8
174T60.5Low53.2Low87 Ų87115.1 Ų115.153%0.53460%0.595SS.*EExtended strand (participates in β ladder)trans-80152.7168.1320000109.2L172 N176L172-T174 PolarHBondContact O-N 3.13Å; T174-N176 PolarHBondContact O-N 3.32Å
175D58.3Low53.1Low167 Ų167116.1 Ų116.189%0.89359%0.591SS**THydrogen-bonded Turntrans-55.8-2.7-169.4-61.6-44.9000116
176N61.2Low52.8Low137 Ų137117 Ų11773%0.73360%0.595SS**THydrogen-bonded Turntrans-108.445.3-175.5-53.7-4.8000112T174 K178T174-N176 PolarHBondContact O-N 3.32Å; N176-K178 PolarHBondContact O-N 2.92Å
177R54.3Low52.5Low247 Ų247118.6 Ų118.693%0.93260%0.6SS**THydrogen-bonded Turntrans45.120.3170.3-94.5-170.4-171.3172.33.8117.2
178K51.5Low52.5Low151 Ų151121.7 Ų121.766%0.65762%0.619SS**EExtended strand (participates in β ladder)trans-118.5108.8-178.5-167177.8-178.9-175.90108.3N176N176-K178 PolarHBondContact O-N 2.92Å
179V55Low52.1Low81 Ų81120.7 Ų120.749%0.49162%0.621SS.*EExtended strand (participates in β ladder)trans-83.9120.6175.9-177.40000107.6V181V179-V181 HydrophobicContact CG1-CG2 4.01Å
180V54.2Low51.3Low61 Ų61121.7 Ų121.737%0.3763%0.632SS.*EExtended strand (participates in β ladder)trans-103.1119170.1-173.50000107.1F182V180-F182 HydrophobicContact CB-CE2 4.1Å; V180-F182 HydrophobicContact CB-CZ 4.47Å; V180-F182 HydrophobicContact CG1-CD2 4.2Å; V180-F182 HydrophobicContact CG1-CE1 4.19Å; V180-F182 HydrophobicContact CG1-CE2 3.57Å; V180-F182 HydrophobicContact CG1-CZ 3.57Å
181V54Low50.5Low93 Ų93123.8 Ų123.856%0.56464%0.644SS**EExtended strand (participates in β ladder)trans-100.5117177.9-177.40000107.7T169 V179T169-V181 HydrophobicContact CG2-CG1 4.37Å; V179-V181 HydrophobicContact CG1-CG2 4.01Å
182F56.7Low49.7Very low132 Ų132124.4 Ų124.458%0.57965%0.654SS**EExtended strand (participates in β ladder)trans-93.3116.7171.7-64.5-84.8000108.4V180V180-F182 HydrophobicContact CB-CE2 4.1Å; V180-F182 HydrophobicContact CB-CZ 4.47Å; V180-F182 HydrophobicContact CG1-CD2 4.2Å; V180-F182 HydrophobicContact CG1-CE1 4.19Å; V180-F182 HydrophobicContact CG1-CE2 3.57Å; V180-F182 HydrophobicContact CG1-CZ 3.57Å
183Q47Very low48.7Very low128 Ų128129.8 Ų129.860%0.59867%0.674SS**EExtended strand (participates in β ladder)trans-115.4117.5179.5-172-17933.700108.7T167 T169T167-Q183 HydrophobicContact CG2-CG 3.93Å; T169-Q183 HydrophobicContact CG2-CB 4.49Å; T169-Q183 HydrophobicContact CG2-CG 4.41Å
184T59.7Low48Very low63 Ų63131.6 Ų131.639%0.38768%0.682SS.*  trans-85.9119.4173.758.70000109.5W168W168-T184 HydrophobicContact CZ2-CG2 3.97Å
185Q40.4Very low46.8Very low152 Ų152130 Ų13071%0.7168%0.682SS**  trans-93.8133169.9-73.3-17510.100110.3V187Q185-V187 PolarHBondContact O-N 3.16Å
186P42.6Very low45.9Very low96 Ų96127.8 Ų127.862%0.62368%0.68SS**  trans-77.8109.5171.530.3-30.6000109.6V188P186-V188 PolarHBondContact O-N 2.89Å
187V39.4Very low44.5Very low119 Ų119131.7 Ų131.772%0.72169%0.685SS**  trans-85.5106.7164.7172.90000107.3Q185 E189Q185-V187 PolarHBondContact O-N 3.16Å; V187-E189 HydrophobicContact CG1-CG 4.14Å; V187-E189 PolarHBondContact O-N 3.13Å
188V48.9Very low43.6Very low128 Ų128128.7 Ų128.778%0.77669%0.686SS**  trans-85.898.3168.9-1760000107P186 S190P186-V188 PolarHBondContact O-N 2.89Å; V188-S190 PolarHBondContact O-N 3.14Å
189E42.6Very low42.6Very low147 Ų147128.7 Ų128.769%0.68769%0.689SS**  trans-69111.1166-75.4-175.6155.200108.1V187 F191V187-E189 HydrophobicContact CG1-CG 4.14Å; V187-E189 PolarHBondContact O-N 3.13Å; E189-F191 PolarHBondContact O-N 3.36Å
190S36.3Very low41.6Very low106 Ų106135.1 Ų135.174%0.74170%0.704SS**  trans-73.1110172.268.10000108.2V188 A192V188-S190 PolarHBondContact O-N 3.14Å; S190-A192 PolarHBondContact O-N 3.39Å
191F37.1Very low40.5Very low187 Ų187137.9 Ų137.982%0.8272%0.721SS**  trans-69.788.4166.3-63.5-75000107.8E189 F193E189-F191 PolarHBondContact O-N 3.36Å; F191-F193 PolarHBondContact O-N 3.12Å
192A33.5Very low39.3Very low89 Ų89140.5 Ų140.574%0.73673%0.727SS**  trans-62.2105.9167.100000107.8S190 Q194S190-A192 PolarHBondContact O-N 3.39Å; A192-Q194 PolarHBondContact O-N 3.41Å
193F38.1Very low38.1Very low205 Ų205139.1 Ų139.190%0.89973%0.729SS**  trans-66.298.6175-177.9-95.8000108.9F191F191-F193 PolarHBondContact O-N 3.12Å
194Q36.5Very low37.2Very low188 Ų188138.3 Ų138.388%0.87973%0.733SS**  trans-121.5113.3166.6-154.6174.347.100108.8A192A192-Q194 PolarHBondContact O-N 3.41Å
195G36.1Very low35.7Very low52 Ų52146.6 Ų146.654%0.53676%0.757SS.*SBendtrans34.1106.8156.300000118.9
196S39.7Very low35.3Very low122 Ų122149.2 Ų149.285%0.85377%0.766SS**SBendtrans59.267.113953.50000118.6
197R31.5Very low34.9Very low218 Ų218148.2 Ų148.282%0.82377%0.773SS**  178.8111.7129.9-116.3-179.1166.4-122.60.9109.2Q199R197-Q199 PolarHBondContact O-N 3Å
198L35.6Very low34.9Very low184 Ų184148.4 Ų148.496%0.96378%0.78SS**  trans-68.295.3164-97163000108.4
199Q30.6Very low34Very low151 Ų151150.8 Ų150.871%0.70678%0.782SS**  trans-9297.5164-153.1168.81300107.1R197 V201R197-Q199 PolarHBondContact O-N 3Å; Q199-V201 PolarHBondContact O-N 3.43Å
200R32.3Very low33.8Very low217 Ų217148.4 Ų148.482%0.81978%0.78SS**  trans-62.7100.9169.1-177.8-172.9-64.4136.9-0.3107.4E202R200-E202 PolarHBondContact O-N 3.47Å
201V32.8Very low33.5Very low118 Ų118152.3 Ų152.372%0.71579%0.786SS**  trans-78.595.5166177.40000106.4Q199 V203Q199-V201 PolarHBondContact O-N 3.43Å; V201-V203 HydrophobicContact CG1-CG2 3.96Å; V201-V203 PolarHBondContact O-N 2.85Å
202E27.5Very low33.2Very low149 Ų149147.8 Ų147.870%0.69678%0.783SS**  trans-78.6100.6169.7-168.8168.6-154.200107.2R200 T204R200-E202 PolarHBondContact O-N 3.47Å; E202-T204 VanDerWaalsContact C-N 3.33Å; E202-T204 HydrophobicContact CG-CG2 4.14Å; E202-T204 PolarHBondContact O-N 3.48Å
203V31.1Very low33.3Very low102 Ų102151.4 Ų151.462%0.61879%0.789SS**  trans-77.690.8171.8-174.70000107.2V201 W205V201-V203 HydrophobicContact CG1-CG2 3.96Å; V201-V203 PolarHBondContact O-N 2.85Å; V203-W205 PolarHBondContact O-N 2.87Å; V203-W205 VanDerWaalsContact O-N 3.14Å
204T29.7Very low32.8Very low111 Ų111150.3 Ų150.368%0.68179%0.787SS**  trans-71.7103.8170.5540000108.7E202 K206E202-T204 VanDerWaalsContact C-N 3.33Å; E202-T204 HydrophobicContact CG-CG2 4.14Å; E202-T204 PolarHBondContact O-N 3.48Å; T204-K206 PolarHBondContact O-N 3.44Å
205W27.7Very low32.5Very low237 Ų237146.7 Ų146.790%0.89878%0.777SS**  trans-66.6113.7169.9-73.185.5000109.5V203V203-W205 PolarHBondContact O-N 2.87Å; V203-W205 VanDerWaalsContact O-N 3.14Å
206K31.6Very low32Very low208 Ų208151 Ų15190%0.90478%0.783SS**  trans-137106.6165.3-158.4-172.4-175.6-169.10109.7T204T204-K206 PolarHBondContact O-N 3.44Å
207G33.7Very low31.6Very low74 Ų74152.6 Ų152.676%0.76378%0.779SS**  trans108.6141.9160.500000115.8
208S40.8Very low31.5Very low124 Ų124148.7 Ų148.787%0.86777%0.774SS**SBendtrans-92.9102.9-171.346.80000112.7
209H28.2Very low31.4Very low178 Ų178145.1 Ų145.182%0.82476%0.762SS**  trans170.3146.9136.5-143.3-101000108.8
210P39.7Very low31.4Very low97 Ų97146.6 Ų146.663%0.6377%0.774SS**  trans-105.4105.6-168.332.7-17.2000111.6
211E30.6Very low31.1Very low188 Ų188139.9 Ų139.988%0.87977%0.773SS**  trans-168.3147.8153-129.2111.7-16400109.8
212A29.1Very low31.2Very low91 Ų91140.3 Ų140.375%0.75278%0.778SS**  trans82.787.3177.900000117E214A212-E214 PolarHBondContact O-N 3.42Å
213L35.8Very low31.5Very low165 Ų165140.8 Ų140.886%0.86478%0.784SS**  trans-84.986.8156.9-168.279.8000107.9V215L213-V215 HydrophobicContact CD2-CG2 4.48Å; L213-V215 HydrophobicContact CG-CG2 4.24Å
214E28.6Very low31.3Very low183 Ų183141.1 Ų141.186%0.85578%0.783SS**  trans-97.1106.6171-72.1-160.3155.500110.1A212 H216A212-E214 PolarHBondContact O-N 3.42Å; E214-H216 PolarHBondContact O-N 2.91Å
215V28.9Very low31.2Very low111 Ų111143.6 Ų143.667%0.67378%0.784SS**  trans-90.892175.8-167.60000107.4L213L213-V215 HydrophobicContact CD2-CG2 4.48Å; L213-V215 HydrophobicContact CG-CG2 4.24Å
216H27.4Very low31.2Very low142 Ų142138.4 Ų138.466%0.65778%0.778SS**  trans-87.4111.6173.1-164.482.7000110.2E214 D218E214-H216 PolarHBondContact O-N 2.91Å; H216-D218 IonicContact CD2-OD2 3.66Å; H216-D218 IonicContact CE1-OD2 3.55Å; H216-D218 IonicContact NE2-OD1 3.7Å; H216-D218 IonicContact NE2-OD2 3.76Å; H216-D218 PolarHBondContact NE2-OD2 3.22Å
217M30.6Very low31.1Very low156 Ų156140 Ų14077%0.76878%0.779SS**  trans-104.5126.4167.9-73.7-77.1103.900108.1
218D28.9Very low30.8Very low136 Ų136148.2 Ų148.273%0.72779%0.787SS**  trans-120.3131.4163.3-91.7-36.1000110.6H216H216-D218 IonicContact CD2-OD2 3.66Å; H216-D218 IonicContact CE1-OD2 3.55Å; H216-D218 IonicContact NE2-OD1 3.7Å; H216-D218 IonicContact NE2-OD2 3.76Å; H216-D218 PolarHBondContact NE2-OD2 3.22Å
219P33.2Very low30.2Very low109 Ų109147.2 Ų147.271%0.70879%0.785SS**  trans-97.9144.3179.734.8-30.3000114.9
220L31Very low30.1Very low182 Ų182147.8 Ų147.895%0.95379%0.786SS**  trans56.1126.2152.7-96.373.9000121.9
221G26.4Very low29.7Very low77 Ų77150.2 Ų150.279%0.79480%0.799SS**  trans178141.4151.300000115.8
222P34.6Very low29.5Very low127 Ų127151.6 Ų151.683%0.82580%0.796SS**  trans-105.3159.2-160.838.3-29000116.6
223L33.5Very low29.4Very low158 Ų158152.4 Ų152.483%0.82779%0.791SS**  trans54.5109.2150.3-160.681.7000119.3
224D27.2Very low28.9Very low110 Ų110154.1 Ų154.159%0.58879%0.792SS**  -177.1139.2116.2-116.9-31.8000117.2
225K28.3Very low29Very low162 Ų162151.5 Ų151.570%0.70479%0.788SS**  trans50.1120.7143-74.3154.1-163.3144.10124.6
226V27.8Very low28.9Very low129 Ų129151.5 Ų151.578%0.78279%0.793SS**  78.3110.6122.6179.30000119
227R28.7Very low29Very low242 Ų242154.7 Ų154.791%0.91381%0.806SS**  -162.5132.5107.8-130.8169.4-179.3137.2-3.1113.1
228R27.3Very low28.9Very low246 Ų246151.6 Ų151.693%0.92880%0.804SS**  trans-70.4138.4172.9-62.4178.7176.3-134.9-1.2110.4
229A28.5Very low28.9Very low102 Ų102151.7 Ų151.784%0.84381%0.81SS**  trans-140.5118.2146.700000108.7
230K26.7Very low28.7Very low191 Ų191153.1 Ų153.183%0.8382%0.816SS**  trans-100.4119.4-177.3-177.7179.1-173.9175.20106.2
231T30.7Very low28.5Very low148 Ų148151.8 Ų151.891%0.90881%0.805SS**  trans-135.1118.8159.8-1.80000109.2
232R26.7Very low28.7Very low216 Ų216152.6 Ų152.682%0.81580%0.796SS**  trans-95.3136-170.3-145.5-153.2170.8-169-3.3108.3
233V26.3Very low28.4Very low108 Ų108156 Ų15666%0.65580%0.801SS**  trans75.5115.9144.6177.10000119.2
234K26.2Very low28.3Very low201 Ų201155 Ų15587%0.87480%0.797SS**  -153.7118.7117.7-158.489.3169.1-170.50109.8
235T30.7Very low28.5Very low128 Ų128158.3 Ų158.379%0.78581%0.809SS**  trans-69.8128.1170-59.30000109.9
236S27.4Very low29.1Very low111 Ų111158.9 Ų158.978%0.77681%0.814SS**  trans-153.5120.5155.153.60000110.3
237K28Very low29.7Very low210 Ų210159.5 Ų159.591%0.91381%0.808SS**  trans-47130173.5-72.7167.8167.4177.40111.6
238A28.1Very low30.6Very low90 Ų90154.5 Ų154.574%0.74480%0.8SS**  trans-134.3128.5154.900000107.9V240A238-V240 PolarHBondContact O-N 3Å
239V29.1Very low32.4Very low139 Ų139146 Ų14684%0.84277%0.773SS**  trans-55.5125.1-179.1169.90000109.3E241V239-E241 PolarHBondContact O-N 3.49Å
240V29.3Very low34.2Very low138 Ų138149.2 Ų149.284%0.83677%0.768SS**  trans-76.2100.8169.8174.20000106.5A238A238-V240 PolarHBondContact O-N 3Å
241E27.8Very low35.9Very low154 Ų154142.2 Ų142.272%0.7274%0.739SS**  trans-57.2137.1157.2-100.3-86.1102.300108.6V239 E243V239-E241 PolarHBondContact O-N 3.49Å; E241-E243 PolarHBondContact O-N 2.92Å
242P29.9Very low37.4Very low95 Ų95136.6 Ų136.662%0.61771%0.706SS**  trans-63.7123.5173.327.5-30.5000108.5D244P242-D244 VanDerWaalsContact C-N 3.25Å; P242-D244 PolarHBondContact O-N 3.49Å
243E27.6Very low39.1Very low198 Ų198130.7 Ų130.793%0.92570%0.697SS**  trans-58.890.1169.9-166.5179.6106.600107.9E241 Q245E241-E243 PolarHBondContact O-N 2.92Å; E243-Q245 PolarHBondContact O-N 3.44Å
244D31.1Very low40.9Very low138 Ų138130.1 Ų130.174%0.73869%0.688SS**  trans-58.2133.1172.7-118.7-52.4000108P242 Q246P242-D244 VanDerWaalsContact C-N 3.25Å; P242-D244 PolarHBondContact O-N 3.49Å; D244-Q246 PolarHBondContact O-N 3.46Å
245Q32.8Very low42.7Very low179 Ų179121.3 Ų121.384%0.83665%0.652SS**  trans-43.8106174.4-81.5163.4-110.700109E243 E247E243-Q245 PolarHBondContact O-N 3.44Å; Q245-E247 PolarHBondContact O-N 3.32Å
246Q40.3Very low44.3Very low174 Ų174126.1 Ų126.181%0.81366%0.656SS**  trans-70.774.6170.7-172.3163.4-20.900107.5D244 N248D244-Q246 PolarHBondContact O-N 3.46Å; Q246-N248 PolarHBondContact O-N 3.46Å
247E40Very low46.2Very low142 Ų142131.9 Ų131.966%0.66466%0.661SS**  trans-53.6125.6159.156-171.8161.800106.9Q245 D249Q245-E247 PolarHBondContact O-N 3.32Å; E247-D249 PolarHBondContact O-N 2.78Å
248N49Very low48Very low136 Ų136125.3 Ų125.373%0.72764%0.641SS**  trans-70.476-175.7-72.1-82000108.7Q246 F250Q246-N248 PolarHBondContact O-N 3.46Å; N248-F250 VanDerWaalsContact C-N 3.34Å; N248-F250 VanDerWaalsContact O-CD2 3.3Å; N248-F250 WeakPolarHBondContact O-CD2 3.42Å; N248-F250 PolarHBondContact O-N 3.36Å
249D63.6Low50Low69 Ų69124.5 Ų124.537%0.36964%0.642SS.*  trans-75.188.7-179.1-77.2-21.3000109.4E247 L251 S252 C253E247-D249 PolarHBondContact O-N 2.78Å; D249-L251 PolarHBondContact O-N 3.27Å; D249-L251 VanDerWaalsContact O-N 3.1Å; D249-S252 VanDerWaalsContact CB-CB 3.48Å; D249-S252 WeakPolarHBondContact O-CA 3.45Å; D249-S252 WeakPolarHBondContact O-CB 3.29Å; D249-S252 PolarHBondContact O-N 2.93Å; D249-C253 PolarHBondContact O-N 2.82Å
250F66.8Low51.9Low168 Ų168122 Ų12274%0.73762%0.623SS**Hα-helixtrans-48-34.3165.9-74.8-89.7000111.4N248 S252 C253 M254N248-F250 VanDerWaalsContact C-N 3.34Å; N248-F250 VanDerWaalsContact O-CD2 3.3Å; N248-F250 WeakPolarHBondContact O-CD2 3.42Å; N248-F250 PolarHBondContact O-N 3.36Å; F250-S252 VanDerWaalsContact C-N 3.35Å; F250-C253 WeakPolarHBondContact O-CB 3.35Å; F250-C253 PolarHBondContact O-N 2.69Å; F250-M254 WeakPolarHBondContact O-CG 3.33Å; F250-M254 PolarHBondContact O-N 3.01Å
251L62.3Low54.1Low44 Ų44118.5 Ų118.523%0.2360%0.603CS.*Hα-helixtrans-68.4-31.8174.6-60.4178.3000112.8D249 M254 S255 F266 L269D249-L251 PolarHBondContact O-N 3.27Å; D249-L251 VanDerWaalsContact O-N 3.1Å; L251-M254 HydrophobicContact CD2-CE 3.61Å; L251-S255 VanDerWaalsContact O-CB 3.3Å; L251-S255 WeakPolarHBondContact O-CB 3.4Å; L251-S255 PolarHBondContact O-N 3.37Å; L251-S255 PolarHBondContact O-OG 3.34Å; L251-F266 HydrophobicContact CD1-CD1 4.02Å; L251-F266 HydrophobicContact CD1-CE1 3.26Å; L251-F266 HydrophobicContact CD1-CE2 4.28Å; L251-F266 HydrophobicContact CD1-CZ 3.41Å; L251-F266 VanDerWaalsContact CD1-CZ 3.41Å; L251-L269 HydrophobicContact CD2-CD1 3.65Å
252S61.3Low56.2Low30 Ų30118.1 Ų118.121%0.2160%0.595CS.*Hα-helixtrans-75.7-25.5173.7-162.80000112.4D249 F250 S255 R256 R262D249-S252 VanDerWaalsContact CB-CB 3.48Å; D249-S252 WeakPolarHBondContact O-CA 3.45Å; D249-S252 WeakPolarHBondContact O-CB 3.29Å; D249-S252 PolarHBondContact O-N 2.93Å; F250-S252 VanDerWaalsContact C-N 3.35Å; S252-S255 WeakPolarHBondContact CA-OG 3.13Å; S252-S255 PolarHBondContact O-OG 2.79Å; S252-R256 WeakPolarHBondContact O-CB 3.4Å; S252-R256 PolarHBondContact O-N 3.44Å; S252-R262 PolarHBondContact OG-NE 3.4Å; S252-R262 PolarHBondContact OG-NH2 3.3Å
253C64.3Low58.5Low93 Ų93122.3 Ų122.363%0.62860%0.599SS**Hα-helixtrans-71.3-45.4169.2-173.10000110.9D249 F250 R256 R257D249-C253 PolarHBondContact O-N 2.82Å; F250-C253 WeakPolarHBondContact O-CB 3.35Å; F250-C253 PolarHBondContact O-N 2.69Å; C253-R256 PolarHBondContact O-N 2.83Å; C253-R257 PolarHBondContact O-N 3.49Å
254M62.1Low61Low96 Ų96115.4 Ų115.447%0.47357%0.57SS.*Hα-helixtrans-65.5-39.2175.5-69.2-157.3-62.600112.6F250 L251 R256 R257 S258F250-M254 WeakPolarHBondContact O-CG 3.33Å; F250-M254 PolarHBondContact O-N 3.01Å; L251-M254 HydrophobicContact CD2-CE 3.61Å; M254-R256 VanDerWaalsContact C-N 3.27Å; M254-R256 PolarHBondContact O-N 2.81Å; M254-R257 PolarHBondContact O-N 2.84Å; M254-S258 WeakPolarHBondContact O-CB 3.37Å; M254-S258 PolarHBondContact O-N 3.29Å; M254-S258 PolarHBondContact O-OG 2.94Å
255S64.1Low63.1Low16 Ų16110.2 Ų110.211%0.11254%0.542CS..Hα-helixtrans-62.4-36.2176.574.60000112.2L251 S252 R257 S258 G259 L260L251-S255 VanDerWaalsContact O-CB 3.3Å; L251-S255 WeakPolarHBondContact O-CB 3.4Å; L251-S255 PolarHBondContact O-N 3.37Å; L251-S255 PolarHBondContact O-OG 3.34Å; S252-S255 WeakPolarHBondContact CA-OG 3.13Å; S252-S255 PolarHBondContact O-OG 2.79Å; S255-R257 VanDerWaalsContact C-N 3.32Å; S255-R257 PolarHBondContact O-N 2.86Å; S255-S258 PolarHBondContact O-N 2.97Å; S255-G259 WeakPolarHBondContact O-CA 3.2Å; S255-G259 PolarHBondContact O-N 2.8Å; S255-L260 WeakPolarHBondContact CB-O 3.11Å
256R64.8Low65.4Low228 Ų228107.1 Ų107.186%0.8653%0.526SS*.Hα-helixtrans-69.8-29.6178.5-153.9175.3-164.1-174.54.5112.8S252 C253 M254S252-R256 WeakPolarHBondContact O-CB 3.4Å; S252-R256 PolarHBondContact O-N 3.44Å; C253-R256 PolarHBondContact O-N 2.83Å; M254-R256 VanDerWaalsContact C-N 3.27Å; M254-R256 PolarHBondContact O-N 2.81Å
257R68.6Low67.3Low233 Ų233102 Ų10288%0.87951%0.508SS*.Hα-helixtrans-82.8-30.3176.3-162.1172.2-172.9174.21.3112.7C253 M254 S255C253-R257 PolarHBondContact O-N 3.49Å; M254-R257 PolarHBondContact O-N 2.84Å; S255-R257 VanDerWaalsContact C-N 3.32Å; S255-R257 PolarHBondContact O-N 2.86Å
258S65.6Low69.3Low72 Ų7299 Ų9950%0.50350%0.503SS..Hα-helixtrans-98-10.2-177-56.80000114.4M254 S255 L260M254-S258 WeakPolarHBondContact O-CB 3.37Å; M254-S258 PolarHBondContact O-N 3.29Å; M254-S258 PolarHBondContact O-OG 2.94Å; S255-S258 PolarHBondContact O-N 2.97Å; S258-L260 PolarHBondContact O-N 3.2Å; S258-L260 VanDerWaalsContact O-N 3.07Å
259G68.7Low71Confident73 Ų7396.4 Ų96.475%0.75349%0.488SS*.  trans65.29.1-179.800000114.6S255S255-G259 WeakPolarHBondContact O-CA 3.2Å; S255-G259 PolarHBondContact O-N 2.8Å
260L70.2Confident72.1Confident86 Ų8699.2 Ų99.245%0.4550%0.497SS..  trans-96.1138.2-176.3-77155.6000110.3S255 S258 V264S255-L260 WeakPolarHBondContact CB-O 3.11Å; S258-L260 PolarHBondContact O-N 3.2Å; S258-L260 VanDerWaalsContact O-N 3.07Å; L260-V264 HydrophobicContact CD2-CG1 4.37Å
261P75.7Confident72.9Confident65 Ų6596.2 Ų96.242%0.42249%0.488SS..  trans-69.9144.1-175.132.2-37.4000110.9W263 V264P261-W263 VanDerWaalsContact C-N 3.31Å; P261-W263 VanDerWaalsContact CB-NE1 3.31Å; P261-W263 PolarHBondContact O-N 2.84Å; P261-W263 VanDerWaalsContact O-N 3.13Å; P261-V264 HydrophobicContact CG-CB 4.33Å; P261-V264 HydrophobicContact CG-CG2 3.74Å; P261-V264 WeakPolarHBondContact O-CB 3.39Å; P261-V264 PolarHBondContact O-N 3.39Å
262R71.1Confident74.2Confident145 Ų14597.5 Ų97.555%0.54750%0.501SS..Hα-helixtrans-51.9-42.3-166.6-65.6-175.5-178.8114.1-6114.2S252 V264 L265 F266S252-R262 PolarHBondContact OG-NE 3.4Å; S252-R262 PolarHBondContact OG-NH2 3.3Å; R262-V264 VanDerWaalsContact C-N 3.28Å; R262-V264 PolarHBondContact O-N 3.3Å; R262-L265 PolarHBondContact O-N 3.06Å; R262-L265 VanDerWaalsContact O-N 3.16Å; R262-F266 HydrophobicContact CB-CE2 4.44Å; R262-F266 WeakPolarHBondContact O-CD2 3.23Å; R262-F266 PolarHBondContact O-N 3.08Å; R262-F266 VanDerWaalsContact O-N 3.13Å
263W77.3Confident75.7Confident183 Ų183101.3 Ų101.369%0.69352%0.518SS*.Hα-helixtrans-56.5-3617664.1-55.6000113.7P261 F266 C267P261-W263 VanDerWaalsContact C-N 3.31Å; P261-W263 VanDerWaalsContact CB-NE1 3.31Å; P261-W263 PolarHBondContact O-N 2.84Å; P261-W263 VanDerWaalsContact O-N 3.13Å; W263-F266 PolarHBondContact O-N 3.32Å; W263-C267 WeakPolarHBondContact O-CB 3.29Å; W263-C267 PolarHBondContact O-N 3.15Å; W263-C267 PolarHBondContact O-SG 2.92Å
264V81.6Confident76.8Confident54 Ų54100.6 Ų100.633%0.32751%0.508SS..Hα-helixtrans-68.9-36.7178.3174.70000111.5L260 P261 R262 C267 C268L260-V264 HydrophobicContact CD2-CG1 4.37Å; P261-V264 HydrophobicContact CG-CB 4.33Å; P261-V264 HydrophobicContact CG-CG2 3.74Å; P261-V264 WeakPolarHBondContact O-CB 3.39Å; P261-V264 PolarHBondContact O-N 3.39Å; R262-V264 VanDerWaalsContact C-N 3.28Å; R262-V264 PolarHBondContact O-N 3.3Å; V264-C267 PolarHBondContact O-N 3.37Å; V264-C268 VanDerWaalsContact O-CB 3.29Å; V264-C268 WeakPolarHBondContact O-CB 3.49Å; V264-C268 PolarHBondContact O-N 3.47Å
265L75.5Confident78.1Confident29 Ų2999.9 Ų99.915%0.15251%0.508CS..Hα-helixtrans-67.7-42175-68.4176.2000111.5R262 C268 L269R262-L265 PolarHBondContact O-N 3.06Å; R262-L265 VanDerWaalsContact O-N 3.16Å; L265-C268 PolarHBondContact O-N 2.89Å; L265-L269 WeakPolarHBondContact O-CB 3.43Å; L265-L269 WeakPolarHBondContact O-CG 3.18Å; L265-L269 PolarHBondContact O-N 3.2Å
266F80.2Confident79.1Confident114 Ų114105.2 Ų105.250%0.553%0.533SS..Hα-helixtrans-60.6-45.5173.3-76.7-69.7000111.5L251 R262 W263 C268 L269 F270L251-F266 HydrophobicContact CD1-CD1 4.02Å; L251-F266 HydrophobicContact CD1-CE1 3.26Å; L251-F266 HydrophobicContact CD1-CE2 4.28Å; L251-F266 HydrophobicContact CD1-CZ 3.41Å; L251-F266 VanDerWaalsContact CD1-CZ 3.41Å; R262-F266 HydrophobicContact CB-CE2 4.44Å; R262-F266 WeakPolarHBondContact O-CD2 3.23Å; R262-F266 PolarHBondContact O-N 3.08Å; R262-F266 VanDerWaalsContact O-N 3.13Å; W263-F266 PolarHBondContact O-N 3.32Å; F266-C268 PolarHBondContact O-N 3.49Å; F266-L269 PolarHBondContact O-N 3.43Å; F266-F270 WeakPolarHBondContact O-CB 3.14Å; F266-F270 PolarHBondContact O-N 2.93Å
267C79.9Confident80.2Confident65 Ų6598 Ų9844%0.43951%0.512SS..Hα-helixtrans-60.7-44.7175.6-68.50000111.8W263 V264 F270 L271W263-C267 WeakPolarHBondContact O-CB 3.29Å; W263-C267 PolarHBondContact O-N 3.15Å; W263-C267 PolarHBondContact O-SG 2.92Å; V264-C267 PolarHBondContact O-N 3.37Å; C267-F270 PolarHBondContact O-N 2.88Å; C267-L271 VanDerWaalsContact O-CB 3.31Å; C267-L271 WeakPolarHBondContact O-CB 3.42Å; C267-L271 WeakPolarHBondContact O-CG 3.37Å; C267-L271 PolarHBondContact O-N 3.35Å
268C82.7Confident81.2Confident81 Ų8195.5 Ų95.555%0.54750%0.502SS..Hα-helixtrans-64.7-45.3-179.7-1770000112.3V264 L265 F266 L271 S272V264-C268 VanDerWaalsContact O-CB 3.29Å; V264-C268 WeakPolarHBondContact O-CB 3.49Å; V264-C268 PolarHBondContact O-N 3.47Å; L265-C268 PolarHBondContact O-N 2.89Å; F266-C268 PolarHBondContact O-N 3.49Å; C268-L271 PolarHBondContact O-N 3.39Å; C268-S272 WeakPolarHBondContact O-CB 3.31Å; C268-S272 PolarHBondContact O-N 2.87Å
269L84.1Confident82.1Confident80 Ų8096.6 Ų96.642%0.41950%0.502SS..Hα-helixtrans-63.2-45.1176-72172.9000111.5L251 L265 F266 L271 S272 I273L251-L269 HydrophobicContact CD2-CD1 3.65Å; L265-L269 WeakPolarHBondContact O-CB 3.43Å; L265-L269 WeakPolarHBondContact O-CG 3.18Å; L265-L269 PolarHBondContact O-N 3.2Å; F266-L269 PolarHBondContact O-N 3.43Å; L269-L271 PolarHBondContact O-N 3.42Å; L269-S272 WeakPolarHBondContact O-CB 3.46Å; L269-S272 PolarHBondContact O-N 2.9Å; L269-I273 WeakPolarHBondContact O-CG1 3.36Å; L269-I273 PolarHBondContact O-N 3.27Å
270F87.4Confident82.7Confident128 Ų12895.6 Ų95.656%0.56148%0.483SS*.Hα-helixtrans-62.5-43.8178.2-175.4-107.5000111.8F266 C267 S272 I273 L274F266-F270 WeakPolarHBondContact O-CB 3.14Å; F266-F270 PolarHBondContact O-N 2.93Å; C267-F270 PolarHBondContact O-N 2.88Å; F270-S272 VanDerWaalsContact C-N 3.34Å; F270-S272 PolarHBondContact O-N 2.93Å; F270-I273 PolarHBondContact O-N 2.86Å; F270-L274 HydrophobicContact CD1-CD1 3.66Å; F270-L274 HydrophobicContact CD1-CG 4.25Å; F270-L274 HydrophobicContact CE1-CD1 3.26Å; F270-L274 HydrophobicContact CE1-CG 3.97Å; F270-L274 HydrophobicContact CZ-CD1 3.8Å; F270-L274 HydrophobicContact CZ-CD2 4.23Å; F270-L274 HydrophobicContact CZ-CG 4.09Å; F270-L274 WeakPolarHBondContact O-CB 3.43Å; F270-L274 WeakPolarHBondContact O-CG 3.13Å; F270-L274 PolarHBondContact O-N 3.29Å
271L83.6Confident82.9Confident105 Ų10594.3 Ų94.355%0.5548%0.481SS..Hα-helixtrans-62.8-39.3174.7-71.7170.7000111.9C267 C268 L269 I273 L274 V275C267-L271 VanDerWaalsContact O-CB 3.31Å; C267-L271 WeakPolarHBondContact O-CB 3.42Å; C267-L271 WeakPolarHBondContact O-CG 3.37Å; C267-L271 PolarHBondContact O-N 3.35Å; C268-L271 PolarHBondContact O-N 3.39Å; L269-L271 PolarHBondContact O-N 3.42Å; L271-I273 PolarHBondContact O-N 3.29Å; L271-L274 PolarHBondContact O-N 2.94Å; L271-V275 WeakPolarHBondContact O-CB 3.49Å; L271-V275 VanDerWaalsContact O-CG2 3.23Å; L271-V275 WeakPolarHBondContact O-CG2 3.34Å; L271-V275 PolarHBondContact O-N 2.99Å
272S90.5Very high82.7Confident71 Ų7193.3 Ų93.350%0.49748%0.475SS..Hα-helixtrans-61.3-43.5174.9-173.60000111.9C268 L269 F270 V275 M276C268-S272 WeakPolarHBondContact O-CB 3.31Å; C268-S272 PolarHBondContact O-N 2.87Å; L269-S272 WeakPolarHBondContact O-CB 3.46Å; L269-S272 PolarHBondContact O-N 2.9Å; F270-S272 VanDerWaalsContact C-N 3.34Å; F270-S272 PolarHBondContact O-N 2.93Å; S272-V275 PolarHBondContact O-N 3.47Å; S272-M276 WeakPolarHBondContact O-CB 3.18Å; S272-M276 VanDerWaalsContact O-CG 3.31Å; S272-M276 WeakPolarHBondContact O-CG 3.43Å; S272-M276 PolarHBondContact O-N 2.93Å
273I92.7Very high82.4Confident110 Ų11090.9 Ų90.956%0.56448%0.476SS*.Hα-helixtrans-66.3-44.7178.2-65.8165.4000110.2L269 F270 L271 V275 M276 L277L269-I273 WeakPolarHBondContact O-CG1 3.36Å; L269-I273 PolarHBondContact O-N 3.27Å; F270-I273 PolarHBondContact O-N 2.86Å; L271-I273 PolarHBondContact O-N 3.29Å; I273-V275 VanDerWaalsContact C-N 3.32Å; I273-V275 PolarHBondContact O-N 2.81Å; I273-M276 PolarHBondContact O-N 2.8Å; I273-L277 WeakPolarHBondContact O-CB 3.44Å; I273-L277 PolarHBondContact O-N 3.49Å
274L86.3Confident81.7Confident78 Ų7888.5 Ų88.541%0.40848%0.476SS..Hα-helixtrans-61.5-39.2176.3-74.6179.3000112.3F270 L271 L277 W278F270-L274 HydrophobicContact CD1-CD1 3.66Å; F270-L274 HydrophobicContact CD1-CG 4.25Å; F270-L274 HydrophobicContact CE1-CD1 3.26Å; F270-L274 HydrophobicContact CE1-CG 3.97Å; F270-L274 HydrophobicContact CZ-CD1 3.8Å; F270-L274 HydrophobicContact CZ-CD2 4.23Å; F270-L274 HydrophobicContact CZ-CG 4.09Å; F270-L274 WeakPolarHBondContact O-CB 3.43Å; F270-L274 WeakPolarHBondContact O-CG 3.13Å; F270-L274 PolarHBondContact O-N 3.29Å; L271-L274 PolarHBondContact O-N 2.94Å; L274-L277 PolarHBondContact O-N 2.77Å; L274-W278 WeakPolarHBondContact O-CB 3.38Å; L274-W278 PolarHBondContact O-N 3.5Å
275V88.8Confident80.4Confident81 Ų8192 Ų9249%0.49150%0.497SS..Hα-helixtrans-69.1-41.9176.3170.30000111L271 S272 I273 L277 W278 L279L271-V275 WeakPolarHBondContact O-CB 3.49Å; L271-V275 VanDerWaalsContact O-CG2 3.23Å; L271-V275 WeakPolarHBondContact O-CG2 3.34Å; L271-V275 PolarHBondContact O-N 2.99Å; S272-V275 PolarHBondContact O-N 3.47Å; I273-V275 VanDerWaalsContact C-N 3.32Å; I273-V275 PolarHBondContact O-N 2.81Å; V275-L277 VanDerWaalsContact C-N 3.34Å; V275-L277 PolarHBondContact O-N 2.85Å; V275-W278 PolarHBondContact O-N 2.93Å; V275-L279 HydrophobicContact CG1-CD1 3.98Å; V275-L279 HydrophobicContact CG1-CG 4.29Å; V275-L279 WeakPolarHBondContact O-CB 3.32Å; V275-L279 VanDerWaalsContact O-CG 3.25Å; V275-L279 WeakPolarHBondContact O-CG 3.31Å; V275-L279 PolarHBondContact O-N 3.31Å
276M86.6Confident79.1Confident129 Ų12995.6 Ų95.664%0.63552%0.521SS*.Hα-helixtrans-60.4-44.6173.9-76.9-65.8-62.600111.7S272 I273 L279 S280S272-M276 WeakPolarHBondContact O-CB 3.18Å; S272-M276 VanDerWaalsContact O-CG 3.31Å; S272-M276 WeakPolarHBondContact O-CG 3.43Å; S272-M276 PolarHBondContact O-N 2.93Å; I273-M276 PolarHBondContact O-N 2.8Å; M276-L279 PolarHBondContact O-N 2.77Å; M276-S280 WeakPolarHBondContact O-CB 3.13Å; M276-S280 PolarHBondContact O-N 3.33Å
277L88.1Confident77Confident77 Ų7794.8 Ų94.840%0.40353%0.525SS..Hα-helixtrans-66.5-43.2176.8-171.764.7000110.9I273 L274 V275 L279 S280 C281I273-L277 WeakPolarHBondContact O-CB 3.44Å; I273-L277 PolarHBondContact O-N 3.49Å; L274-L277 PolarHBondContact O-N 2.77Å; V275-L277 VanDerWaalsContact C-N 3.34Å; V275-L277 PolarHBondContact O-N 2.85Å; L277-L279 PolarHBondContact O-N 3.28Å; L277-S280 WeakPolarHBondContact CA-OG 3.43Å; L277-S280 PolarHBondContact O-N 2.66Å; L277-S280 PolarHBondContact O-OG 3.23Å; L277-C281 WeakPolarHBondContact O-CB 3.25Å; L277-C281 PolarHBondContact O-N 3.24Å; L277-C281 PolarHBondContact O-SG 3.49Å
278W88.6Confident75.1Confident180 Ų18097.1 Ų97.168%0.68254%0.54SS*.Hα-helixtrans-59.1-47.3175.2178.5-92.9000111.8L274 V275 S280 C281 C282L274-W278 WeakPolarHBondContact O-CB 3.38Å; L274-W278 PolarHBondContact O-N 3.5Å; V275-W278 PolarHBondContact O-N 2.93Å; W278-S280 VanDerWaalsContact C-N 3.33Å; W278-S280 PolarHBondContact O-N 3.44Å; W278-C281 CarbonylContact O-C 3.18Å; W278-C281 PolarHBondContact O-N 2.7Å; W278-C282 PolarHBondContact NE1-SG 3.34Å; W278-C282 WeakPolarHBondContact O-CB 3.33Å; W278-C282 PolarHBondContact O-N 3.02Å; W278-C282 PolarHBondContact O-SG 3.33Å
279L84.2Confident73.4Confident95 Ų9597.2 Ų97.250%0.49755%0.554SS.*Hα-helixtrans-63.4-40.3176.7-70.6175.5000111.2V275 M276 L277 C281 C282 T283V275-L279 HydrophobicContact CG1-CD1 3.98Å; V275-L279 HydrophobicContact CG1-CG 4.29Å; V275-L279 WeakPolarHBondContact O-CB 3.32Å; V275-L279 VanDerWaalsContact O-CG 3.25Å; V275-L279 WeakPolarHBondContact O-CG 3.31Å; V275-L279 PolarHBondContact O-N 3.31Å; M276-L279 PolarHBondContact O-N 2.77Å; L277-L279 PolarHBondContact O-N 3.28Å; L279-C281 VanDerWaalsContact C-N 3.34Å; L279-C281 PolarHBondContact O-N 3.22Å; L279-C282 PolarHBondContact O-N 3.46Å; L279-T283 PolarHBondContact O-N 2.87Å; L279-T283 PolarHBondContact O-OG1 3.29Å
280S80.9Confident71.3Confident52 Ų52101.7 Ų101.736%0.36457%0.573SS.*Hα-helixtrans-62.4-40.6174.2770000112.3M276 L277 W278 T283 L284M276-S280 WeakPolarHBondContact O-CB 3.13Å; M276-S280 PolarHBondContact O-N 3.33Å; L277-S280 WeakPolarHBondContact CA-OG 3.43Å; L277-S280 PolarHBondContact O-N 2.66Å; L277-S280 PolarHBondContact O-OG 3.23Å; W278-S280 VanDerWaalsContact C-N 3.33Å; W278-S280 PolarHBondContact O-N 3.44Å; S280-T283 PolarHBondContact O-N 3.47Å; S280-L284 WeakPolarHBondContact O-CG 3.45Å; S280-L284 PolarHBondContact O-N 3.01Å
281C75.6Confident69.2Low58 Ų58103.9 Ų103.939%0.39259%0.585SS.*Hα-helixtrans-69.1-37.4175.6-69.80000112L277 W278 L279 L284 V285L277-C281 WeakPolarHBondContact O-CB 3.25Å; L277-C281 PolarHBondContact O-N 3.24Å; L277-C281 PolarHBondContact O-SG 3.49Å; W278-C281 CarbonylContact O-C 3.18Å; W278-C281 PolarHBondContact O-N 2.7Å; L279-C281 VanDerWaalsContact C-N 3.34Å; L279-C281 PolarHBondContact O-N 3.22Å; C281-L284 PolarHBondContact O-N 3.31Å; C281-V285 VanDerWaalsContact O-CG2 3.3Å; C281-V285 WeakPolarHBondContact O-CG2 3.3Å; C281-V285 PolarHBondContact O-N 3.47Å
282C72.3Confident67Low45 Ų45105.9 Ų105.930%0.30460%0.595SS.*Hα-helixtrans-65-40.6172.6-72.50000111W278 L279 L284 V285 T286W278-C282 PolarHBondContact NE1-SG 3.34Å; W278-C282 WeakPolarHBondContact O-CB 3.33Å; W278-C282 PolarHBondContact O-N 3.02Å; W278-C282 PolarHBondContact O-SG 3.33Å; L279-C282 PolarHBondContact O-N 3.46Å; C282-L284 VanDerWaalsContact C-N 3.33Å; C282-L284 PolarHBondContact O-N 2.57Å; C282-V285 PolarHBondContact O-N 3.37Å; C282-T286 VanDerWaalsContact O-CB 3.3Å; C282-T286 WeakPolarHBondContact O-CB 3.3Å; C282-T286 PolarHBondContact O-N 2.92Å; C282-T286 PolarHBondContact O-OG1 3.45Å
283T64.1Low64.4Low94 Ų94109.4 Ų109.458%0.57760%0.602SS**Hα-helixtrans-62.6-40.8175.2-51.60000111.6L279 S280 V285 T286 T287L279-T283 PolarHBondContact O-N 2.87Å; L279-T283 PolarHBondContact O-OG1 3.29Å; S280-T283 PolarHBondContact O-N 3.47Å; T283-V285 VanDerWaalsContact C-N 3.33Å; T283-V285 PolarHBondContact O-N 3.01Å; T283-T286 PolarHBondContact O-N 2.72Å; T283-T287 PolarHBondContact O-N 2.89Å
284L62.1Low62.2Low132 Ų132112.4 Ų112.469%0.69162%0.618SS**Hα-helixtrans-64.4-34.6175.6-71.7169.6000113.1S280 C281 C282 T287S280-L284 WeakPolarHBondContact O-CG 3.45Å; S280-L284 PolarHBondContact O-N 3.01Å; C281-L284 PolarHBondContact O-N 3.31Å; C282-L284 VanDerWaalsContact C-N 3.33Å; C282-L284 PolarHBondContact O-N 2.57Å; L284-T287 PolarHBondContact O-OG1 3.33Å
285V54.3Low59.6Low127 Ų127114.3 Ų114.377%0.7763%0.625SS**Hα-helixtrans-84.8-18.7179.3174.70000112.3C281 C282 T283C281-V285 VanDerWaalsContact O-CG2 3.3Å; C281-V285 WeakPolarHBondContact O-CG2 3.3Å; C281-V285 PolarHBondContact O-N 3.47Å; C282-V285 PolarHBondContact O-N 3.37Å; T283-V285 VanDerWaalsContact C-N 3.33Å; T283-V285 PolarHBondContact O-N 3.01Å
286T49.1Very low57.4Low105 Ų105115.5 Ų115.564%0.64463%0.634SS**SBendtrans-104.711-176.9-32.30000113.7C282 T283 P288C282-T286 VanDerWaalsContact O-CB 3.3Å; C282-T286 WeakPolarHBondContact O-CB 3.3Å; C282-T286 PolarHBondContact O-N 2.92Å; C282-T286 PolarHBondContact O-OG1 3.45Å; T283-T286 PolarHBondContact O-N 2.72Å; T286-P288 WeakPolarHBondContact O-CD 2.96Å
287T35.1Very low55.1Low97 Ų97117.5 Ų117.560%0.59565%0.647SS**  trans-86.897.5161.543.30000109.8T283 L284 G289T283-T287 PolarHBondContact O-N 2.89Å; L284-T287 PolarHBondContact O-OG1 3.33Å; T287-G289 PolarHBondContact O-N 3.39Å
288P40.6Very low52.6Low114 Ų114119.8 Ų119.874%0.7466%0.664SS**  trans-61131.8162.529.1-33.4000107.1T286 Q290T286-P288 WeakPolarHBondContact O-CD 2.96Å; P288-Q290 PolarHBondContact O-N 3.25Å
289G46Very low50.6Low83 Ų83115.2 Ų115.286%0.85667%0.665SS**  trans-49.2101.4-170.300000114.1T287T287-G289 PolarHBondContact O-N 3.39Å
290Q41.1Very low48.7Very low175 Ų175119 Ų11982%0.81868%0.68SS**  trans-98.4100.6148.5-74.4-149.5-32.300107.5P288 L292P288-Q290 PolarHBondContact O-N 3.25Å; Q290-L292 PolarHBondContact O-N 3.01Å
291H42Very low46.6Very low173 Ų173125 Ų12580%0.80170%0.702SS**  trans-60.374.3168.4-162.9-92.7000109.6K293H291-K293 PolarHBondContact O-N 2.98Å
292L38.1Very low45Very low148 Ų148131 Ų13178%0.77572%0.724SS**  trans-74.691.9161.6-76175.5000107.1Q290 L294Q290-L292 PolarHBondContact O-N 3.01Å; L292-L294 PolarHBondContact O-N 2.8Å
293K36.5Very low43.5Very low145 Ų145137.6 Ų137.663%0.6375%0.747SS**  trans-53.483.6170-173.6-174.2177-168.40110H291 Q295H291-K293 PolarHBondContact O-N 2.98Å; K293-Q295 HydrophobicContact CG-CB 4.01Å; K293-Q295 PolarHBondContact O-N 3.32Å
294L46.4Very low42.3Very low173 Ų173136.7 Ų136.791%0.90676%0.756SS**  trans-73.776.7156.5-79.8150.3000106.7L292L292-L294 PolarHBondContact O-N 2.8Å
295Q30.8Very low41.1Very low118 Ų118137.8 Ų137.855%0.55176%0.762SS**  trans-77.2126.1168.9-169.6177.62.900107.7K293 L297K293-Q295 HydrophobicContact CG-CB 4.01Å; K293-Q295 PolarHBondContact O-N 3.32Å; Q295-L297 PolarHBondContact O-N 3.16Å
296P42.3Very low40.3Very low105 Ų105139 Ų13968%0.68276%0.763SS**  trans-67.7119.4170.44.48.2000108T298P296-T298 VanDerWaalsContact C-N 3.28Å; P296-T298 PolarHBondContact O-N 3.24Å
297L38.7Very low39.7Very low172 Ų172138.8 Ų138.890%0.90176%0.762SS**  trans-75.488.3168.3-73.8166.3000107.8Q295Q295-L297 PolarHBondContact O-N 3.16Å
298T36.5Very low39.8Very low124 Ų124141.2 Ų141.276%0.76177%0.766SS**  trans-59.6138.1158.144.30000109.3P296P296-T298 VanDerWaalsContact C-N 3.28Å; P296-T298 PolarHBondContact O-N 3.24Å
299A46.1Very low39.3Very low85 Ų85140.8 Ų140.870%0.70277%0.766SS**SBendtrans-44.2156.9168.500000113.2
300E44.6Very low38.5Very low175 Ų175146.3 Ų146.382%0.81876%0.763SS**  trans94.461.1174-52.3-61.395.900118.1
301Q36.9Very low38.1Very low177 Ų177148.1 Ų148.183%0.82776%0.762SS**  trans-144.263.6144-126.8-110.5-79.300110.9K303Q301-K303 PolarHBondContact O-N 3.38Å; Q301-K303 VanDerWaalsContact O-N 3.16Å
302H40.7Very low37.7Very low183 Ų183145.5 Ų145.585%0.84776%0.76SS**  trans-72.998.8164.2-152.396.5000108.4
303K41Very low37.6Very low185 Ų185147.2 Ų147.280%0.80476%0.762SS**SBendtrans176103.7143.8-98.9164.8-174.1-174.80110Q301Q301-K303 PolarHBondContact O-N 3.38Å; Q301-K303 VanDerWaalsContact O-N 3.16Å
304G39.7Very low37.5Very low74 Ų74150.6 Ų150.676%0.76377%0.772SS**SBendtrans108.169.3157.800000115.2
305L35.9Very low37.2Very low155 Ų155148.2 Ų148.281%0.81277%0.767SS**  -174.292.2127.5-137.975.3000108.7V307L305-V307 VanDerWaalsContact C-N 3.32Å; L305-V307 HydrophobicContact CD2-CG2 3.71Å; L305-V307 HydrophobicContact CG-CG2 3.83Å; L305-V307 PolarHBondContact O-N 2.85Å; L305-V307 VanDerWaalsContact O-N 3.12Å
306L38.1Very low37.3Very low152 Ų152149 Ų14980%0.79678%0.78SS**  trans-74.793.6162.4-165.2165.1000105.8E308L306-E308 HydrophobicContact CD2-CB 4.49Å
307V36.5Very low37.2Very low102 Ų102149.4 Ų149.462%0.61878%0.783SS**  trans-11690.3164.9174.60000107L305 S309L305-V307 VanDerWaalsContact C-N 3.32Å; L305-V307 HydrophobicContact CD2-CG2 3.71Å; L305-V307 HydrophobicContact CG-CG2 3.83Å; L305-V307 PolarHBondContact O-N 2.85Å; L305-V307 VanDerWaalsContact O-N 3.12Å; V307-S309 PolarHBondContact O-N 2.79Å
308E36.4Very low37.3Very low147 Ų147146.7 Ų146.769%0.68778%0.778SS**  trans-38.7113.6162-160.181.2-167.100110.3L306L306-E308 HydrophobicContact CD2-CB 4.49Å
309S31.7Very low37.3Very low105 Ų105146.7 Ų146.773%0.73478%0.78SS**  trans-113.272.8170.6-61.20000108.6V307V307-S309 PolarHBondContact O-N 2.79Å
310Y28.1Very low36.8Very low200 Ų200147.3 Ų147.378%0.78479%0.786SS**  trans-82.6117.4171.5-161.7-92.8000108.7
311W33.9Very low36.2Very low213 Ų213150 Ų15081%0.80779%0.79SS**  trans-68.6128.9172.1-7788.1000110.2F313W311-F313 PolarHBondContact O-N 3.12Å
312P33.3Very low35.9Very low117 Ų117148.9 Ų148.976%0.7679%0.785SS**  trans-82.9109.7172.713.40.6000110.1
313F35.1Very low35.4Very low184 Ų184146.5 Ų146.581%0.80778%0.778SS**  trans-74.9144.9151.9-78.5-89.7000109W311W311-F313 PolarHBondContact O-N 3.12Å
314Y35.5Very low35.1Very low216 Ų216142.4 Ų142.485%0.84777%0.773SS**SBendtrans105134174.4-69.4-80.9000117.6
315P40.4Very low35.2Very low124 Ų124144.5 Ų144.581%0.80577%0.773SS**PPolyproline II helixtrans-87.6136.9175.134.2-29.6000111.6
316T32.4Very low35.8Very low133 Ų133142.4 Ų142.482%0.81677%0.769SS**PPolyproline II helixtrans-98.8144.7178.3-36.90000110.6
317P39.9Very low35.7Very low114 Ų114140.7 Ų140.774%0.7477%0.767SS**PPolyproline II helixtrans-76.2155.1-170.8-7.625.5000113.4
318S40.1Very low35.4Very low116 Ų116145.1 Ų145.181%0.81177%0.774SS**PPolyproline II helixtrans-67.9134.9175.854.20000113
319P36.8Very low35.1Very low123 Ų123146.2 Ų146.280%0.79978%0.776SS**PPolyproline II helixtrans-98.8141.7158.632.2-21.7000111.5
320A36.5Very low35Very low99 Ų99148.2 Ų148.282%0.81878%0.778SS**PPolyproline II helixtrans-61.4149.9170.700000112.4
321Y31.8Very low35.1Very low230 Ų230147.6 Ų147.690%0.90278%0.779SS**  trans-156.6143.7140.7-158.2-106.7000112.5
322E30.8Very low35.2Very low154 Ų154144.8 Ų144.872%0.7278%0.779SS**  trans-73151.6-176.7-80.4-127.6112.500115.2
323D30.6Very low35.2Very low134 Ų134147 Ų14772%0.71778%0.784SS**  55.6121.5129.6-149.314.5000122.9
324S33.6Very low35.5Very low98 Ų98145 Ų14569%0.68578%0.781SS**  trans89.2146.8142.1-83.20000122.6
325P42.1Very low35.7Very low119 Ų119140.7 Ų140.777%0.77378%0.778SS**  -130.5-154.1-127.344.6-24.7000114
326P49.1Very low35.7Very low110 Ų110141.7 Ų141.771%0.71478%0.782SS**  -115.4-178.2-112.636.6-16.5000114.5
327P35.6Very low35.9Very low117 Ų117146.8 Ų146.876%0.7680%0.803SS**  trans-115.8124.9154.631-16.7000113
328Y30.9Very low35.7Very low194 Ų194148.5 Ų148.576%0.76181%0.806SS**  trans-48.8163.6164.152.7-106.7000113.8
329K28.3Very low35.5Very low170 Ų170150.2 Ų150.274%0.73981%0.806SS**  -172.6164.461.2-100.2-97178.4-176.50111.2
330L29.5Very low35.4Very low148 Ų148151.7 Ų151.778%0.77581%0.806SS**  trans98.8127.8159.2-60.5167.6000114.2
331K30.3Very low35.3Very low187 Ų187154.8 Ų154.881%0.81381%0.806SS**  cis-160.1130.30.6-145174.9-176.1-177.40105.3
332L35.8Very low35.5Very low154 Ų154150.1 Ų150.181%0.80680%0.8SS**  trans-69.5137.9168.5-97.182.1000108.9
333D33.7Very low35.9Very low162 Ų162149.8 Ų149.887%0.86681%0.805SS**  trans-131.1122.1139.1-109.3-38.4000108.3
334L42.1Very low36.2Very low142 Ų142150.9 Ų150.974%0.74381%0.811SS**  trans-117.5107.6179.5-16985.5000105.8
335T38.9Very low36.4Very low126 Ų126155 Ų15577%0.77382%0.821SS**  trans-162.282.7163.313.60000109.6
336T40.5Very low36Very low145 Ų145158 Ų15889%0.8983%0.825SS**  -172.9106.812429.30000106.4
337L36.9Very low34.8Very low241 Ų241162.4 Ų162.4100%1.26284%0.835SS**  trans-65.60174.3-91.8148.5000111.8

Retrieved 337 of 337 residues in 176.8 ms (Link to these results)