A0A087Y7M4_POEFO Loading...

Homeobox protein Hox-D4

Sequence-specific transcription factor which is part of a developmental regulatory system that provides cells with specific positional identities on the anterior-posterior axis.

AlphaFold DB , UniProt , Accession A0A087Y7M4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 252 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
1W39.4Very low51.5Low313 Ų313164.1 Ų164.1100%1.18673%0.729SS**  069.90-67.886.1000113.2
2R47.1Very low52.2Low253 Ų253157.6 Ų157.696%0.95571%0.705SS**  trans-145.183.5166.3-78.8-165.4-165.2-161.16109.7
3R49.7Very low53.3Low253 Ų253150.3 Ų150.396%0.95569%0.685SS**  trans-156.6115.2167.3-130.6178.4-80.9-157.2-0.6106.3
4G49.8Very low54.3Low53 Ų53146.9 Ų146.955%0.54667%0.674SS.*SBendtrans160.5-14.4179.500000117.1
5K54.3Low55.1Low202 Ų202147 Ų14788%0.87867%0.672SS**SBendtrans-90.4-16.5178.9-80-173.6179.4170.70115.2
6K50.7Low55.9Low166 Ų166147.1 Ų147.172%0.72267%0.667SS**Hα-helixtrans-82.8-25.8-176.3-68.2-176.3179.2-179.90113.2
7D56.5Low56.4Low83 Ų83143.6 Ų143.644%0.44466%0.655SS.*Hα-helixtrans-80.9-32.3-173.9-55.6-42.4000112.8S9 R10 K11D7-S9 PolarHBondContact O-N 3.17Å; D7-R10 PolarHBondContact O-N 3.26Å; D7-K11 WeakPolarHBondContact O-CB 3.3Å; D7-K11 WeakPolarHBondContact O-CG 3.35Å; D7-K11 PolarHBondContact O-N 3.23Å
8N51.7Low56.7Low104 Ų104142.8 Ų142.856%0.55665%0.651SS**Hα-helixtrans-71.3-33.8-177.7-149.531.6000112.4I12N8-I12 WeakPolarHBondContact O-CB 3.14Å; N8-I12 VanDerWaalsContact O-CD1 3.3Å; N8-I12 WeakPolarHBondContact O-CD1 3.14Å; N8-I12 WeakPolarHBondContact O-CG1 3.35Å; N8-I12 PolarHBondContact O-N 3.17Å
9S52.5Low56.9Low88 Ų88142.4 Ų142.462%0.61565%0.648SS**Hα-helixtrans-69.5-39.7176.5-153.70000111.8D7 S13D7-S9 PolarHBondContact O-N 3.17Å; S9-S13 VanDerWaalsContact O-CB 3.32Å; S9-S13 WeakPolarHBondContact O-CB 3.15Å; S9-S13 PolarHBondContact O-N 3.28Å
10R57.3Low57.4Low164 Ų164141 Ų14162%0.61965%0.646SS**Hα-helixtrans-66.2-43.1174.2-69.5176.6179168.8-5.2111.4D7 S13 I14D7-R10 PolarHBondContact O-N 3.26Å; R10-S13 PolarHBondContact O-N 3.11Å; R10-I14 WeakPolarHBondContact O-CB 3.46Å; R10-I14 WeakPolarHBondContact O-CD1 3.23Å; R10-I14 WeakPolarHBondContact O-CG1 3.43Å; R10-I14 PolarHBondContact O-N 3.17Å
11K56.9Low57.9Low126 Ų126140.7 Ų140.755%0.54865%0.647SS.*Hα-helixtrans-60.3-48.8174.9-72.9174.7-177.1-1730111.7D7 S13 I14 F15D7-K11 WeakPolarHBondContact O-CB 3.3Å; D7-K11 WeakPolarHBondContact O-CG 3.35Å; D7-K11 PolarHBondContact O-N 3.23Å; K11-S13 VanDerWaalsContact C-N 3.34Å; K11-S13 PolarHBondContact O-N 3.38Å; K11-I14 PolarHBondContact O-N 3.31Å; K11-F15 WeakPolarHBondContact O-CD2 3.4Å; K11-F15 PolarHBondContact O-N 2.83Å
12I60.3Low58.9Low86 Ų86127.7 Ų127.744%0.44161%0.606SS.*Hα-helixtrans-60.5-44.5177-67.9161000110.4N8 I14 F15 Y16N8-I12 WeakPolarHBondContact O-CB 3.14Å; N8-I12 VanDerWaalsContact O-CD1 3.3Å; N8-I12 WeakPolarHBondContact O-CD1 3.14Å; N8-I12 WeakPolarHBondContact O-CG1 3.35Å; N8-I12 PolarHBondContact O-N 3.17Å; I12-I14 PolarHBondContact O-N 2.82Å; I12-F15 PolarHBondContact O-N 3.31Å; I12-Y16 HydrophobicContact CG2-CD2 3.87Å; I12-Y16 HydrophobicContact CG2-CE2 3.95Å; I12-Y16 VanDerWaalsContact O-CD2 3.31Å; I12-Y16 WeakPolarHBondContact O-CD2 3.36Å; I12-Y16 PolarHBondContact O-N 3.33Å
13S66.9Low59.3Low63 Ų63120.5 Ų120.544%0.44158%0.584SS.*Hα-helixtrans-59.6-43.9176.6-168.80000112.5S9 R10 K11 Y16 L17S9-S13 VanDerWaalsContact O-CB 3.32Å; S9-S13 WeakPolarHBondContact O-CB 3.15Å; S9-S13 PolarHBondContact O-N 3.28Å; R10-S13 PolarHBondContact O-N 3.11Å; K11-S13 VanDerWaalsContact C-N 3.34Å; K11-S13 PolarHBondContact O-N 3.38Å; S13-Y16 PolarHBondContact O-N 3Å; S13-L17 WeakPolarHBondContact O-CB 3.48Å; S13-L17 WeakPolarHBondContact O-CD1 3.42Å; S13-L17 WeakPolarHBondContact O-CG 3.45Å; S13-L17 PolarHBondContact O-N 2.96Å
14I67.2Low59.5Low103 Ų103112 Ų11253%0.52856%0.563SS.*Hα-helixtrans-65.6-43.4178.5-69163.4000111R10 K11 I12 Y16 L17 Q18R10-I14 WeakPolarHBondContact O-CB 3.46Å; R10-I14 WeakPolarHBondContact O-CD1 3.23Å; R10-I14 WeakPolarHBondContact O-CG1 3.43Å; R10-I14 PolarHBondContact O-N 3.17Å; K11-I14 PolarHBondContact O-N 3.31Å; I12-I14 PolarHBondContact O-N 2.82Å; I14-Y16 VanDerWaalsContact C-N 3.33Å; I14-Y16 PolarHBondContact O-N 3.07Å; I14-L17 PolarHBondContact O-N 2.98Å; I14-Q18 VanDerWaalsContact O-CB 3.3Å; I14-Q18 WeakPolarHBondContact O-CB 3.43Å; I14-Q18 PolarHBondContact O-N 3.01Å
15F66.4Low59.5Low148 Ų148112.6 Ų112.665%0.64956%0.559SS**Hα-helixtrans-60.4-40.8175.8-86.9-70.7000112.5K11 I12 K19K11-F15 WeakPolarHBondContact O-CD2 3.4Å; K11-F15 PolarHBondContact O-N 2.83Å; I12-F15 PolarHBondContact O-N 3.31Å; F15-K19 VanDerWaalsContact O-CB 3.29Å; F15-K19 WeakPolarHBondContact O-CB 3.34Å; F15-K19 PolarHBondContact O-N 3.46Å
16Y67.3Low59.6Low149 Ų149108.6 Ų108.658%0.58454%0.539SS*.Hα-helixtrans-70.5-41.4177.2-89.4-89.6000112.4I12 S13 I14 K19 L20I12-Y16 HydrophobicContact CG2-CD2 3.87Å; I12-Y16 HydrophobicContact CG2-CE2 3.95Å; I12-Y16 VanDerWaalsContact O-CD2 3.31Å; I12-Y16 WeakPolarHBondContact O-CD2 3.36Å; I12-Y16 PolarHBondContact O-N 3.33Å; S13-Y16 PolarHBondContact O-N 3Å; I14-Y16 VanDerWaalsContact C-N 3.33Å; I14-Y16 PolarHBondContact O-N 3.07Å; Y16-K19 PolarHBondContact O-N 3.18Å; Y16-L20 WeakPolarHBondContact O-CB 3.39Å; Y16-L20 PolarHBondContact O-N 3.07Å
17L65.5Low60.1Low88 Ų88108.4 Ų108.446%0.46154%0.543SS..Hα-helixtrans-64.8-43.2176.5-80.6159.5000111.9S13 I14 K19 L20 M21S13-L17 WeakPolarHBondContact O-CB 3.48Å; S13-L17 WeakPolarHBondContact O-CD1 3.42Å; S13-L17 WeakPolarHBondContact O-CG 3.45Å; S13-L17 PolarHBondContact O-N 2.96Å; I14-L17 PolarHBondContact O-N 2.98Å; L17-K19 VanDerWaalsContact C-N 3.33Å; L17-K19 PolarHBondContact O-N 3.27Å; L17-L20 PolarHBondContact O-N 2.91Å; L17-M21 WeakPolarHBondContact O-CG 3.44Å; L17-M21 PolarHBondContact O-N 2.77Å
18Q60.9Low60.1Low128 Ų128109.6 Ų109.660%0.59855%0.553SS**Hα-helixtrans-65.7-38.1176.2-170.516424.400111.6I14 M21 A22I14-Q18 VanDerWaalsContact O-CB 3.3Å; I14-Q18 WeakPolarHBondContact O-CB 3.43Å; I14-Q18 PolarHBondContact O-N 3.01Å; Q18-M21 PolarHBondContact O-N 3.49Å; Q18-A22 WeakPolarHBondContact O-CB 3.38Å; Q18-A22 PolarHBondContact O-N 3.26Å
19K60.5Low60Low136 Ų136111 Ų11159%0.59156%0.561SS**Hα-helixtrans-67.1-35.5173.3-165.5168-177.5173.80111.9F15 Y16 L17 M23F15-K19 VanDerWaalsContact O-CB 3.29Å; F15-K19 WeakPolarHBondContact O-CB 3.34Å; F15-K19 PolarHBondContact O-N 3.46Å; Y16-K19 PolarHBondContact O-N 3.18Å; L17-K19 VanDerWaalsContact C-N 3.33Å; L17-K19 PolarHBondContact O-N 3.27Å; K19-M23 HydrophobicContact CG-CG 4.44Å; K19-M23 HydrophobicContact CG-SD 4.4Å; K19-M23 WeakPolarHBondContact O-CA 3.16Å; K19-M23 WeakPolarHBondContact O-CG 3.32Å; K19-M23 PolarHBondContact O-N 3.03Å
20L68Low59.9Low114 Ų114110 Ų11060%0.59755%0.554SS**Hα-helixtrans-70.6-35.1173.6-99.9155.6000113.3Y16 L17 M23 S24Y16-L20 WeakPolarHBondContact O-CB 3.39Å; Y16-L20 PolarHBondContact O-N 3.07Å; L17-L20 PolarHBondContact O-N 2.91Å; L20-M23 VanDerWaalsContact O-CA 3.23Å; L20-M23 WeakPolarHBondContact O-CA 3.33Å; L20-M23 PolarHBondContact O-N 3.1Å; L20-S24 PolarHBondContact O-N 3.28Å
21M66.8Low60.1Low135 Ų135111.9 Ų111.967%0.66557%0.566SS**Hα-helixtrans-71.1-39.3175.1-72.8177.4-173.400111.5L17 Q18 S24 S25L17-M21 WeakPolarHBondContact O-CG 3.44Å; L17-M21 PolarHBondContact O-N 2.77Å; Q18-M21 PolarHBondContact O-N 3.49Å; M21-S24 PolarHBondContact O-N 3.3Å; M21-S25 PolarHBondContact O-N 3.44Å
22A60.2Low60Low39 Ų39114.6 Ų114.632%0.32257%0.574SS.*Hα-helixtrans-61.2-53.7166.400000109.5Q18 S24 S25 Y26Q18-A22 WeakPolarHBondContact O-CB 3.38Å; Q18-A22 PolarHBondContact O-N 3.26Å; A22-S24 PolarHBondContact O-N 3.42Å; A22-S25 PolarHBondContact O-N 2.76Å; A22-S25 PolarHBondContact O-OG 3.29Å; A22-Y26 HydrophobicContact CB-CE1 3.8Å; A22-Y26 WeakPolarHBondContact O-CD1 3.41Å; A22-Y26 WeakPolarHBondContact O-CE1 3.21Å; A22-Y26 WeakPolarHBondContact O-CE2 3.36Å
23M56.9Low60.2Low103 Ų103116.7 Ų116.751%0.50759%0.591SS.*Hα-helixtrans-11.9-62.6158.6-8.1157.570.500116.4K19 L20 Y26K19-M23 HydrophobicContact CG-CG 4.44Å; K19-M23 HydrophobicContact CG-SD 4.4Å; K19-M23 WeakPolarHBondContact O-CA 3.16Å; K19-M23 WeakPolarHBondContact O-CG 3.32Å; K19-M23 PolarHBondContact O-N 3.03Å; L20-M23 VanDerWaalsContact O-CA 3.23Å; L20-M23 WeakPolarHBondContact O-CA 3.33Å; L20-M23 PolarHBondContact O-N 3.1Å; M23-Y26 WeakPolarHBondContact CA-OH 3.46Å; M23-Y26 HydrophobicContact CB-CD2 4.25Å; M23-Y26 HydrophobicContact CB-CE2 3.2Å; M23-Y26 WeakPolarHBondContact CB-OH 3.3Å; M23-Y26 HydrophobicContact CG-CE2 3.4Å; M23-Y26 VanDerWaalsContact CG-CZ 3.45Å; M23-Y26 WeakPolarHBondContact CG-OH 3.17Å; M23-Y26 PolarHBondContact N-OH 3.02Å; M23-Y26 WeakPolarHBondContact O-CD2 3.48Å; M23-Y26 WeakPolarHBondContact O-CE2 3.4Å
24S52.4Low60.1Low74 Ų74119.6 Ų119.652%0.51760%0.602SS.*Hα-helixtrans-87.3-28.1-167.4-165.60000112.5L20 M21 A22 M27 V28L20-S24 PolarHBondContact O-N 3.28Å; M21-S24 PolarHBondContact O-N 3.3Å; A22-S24 PolarHBondContact O-N 3.42Å; S24-M27 PolarHBondContact O-N 3.08Å; S24-V28 WeakPolarHBondContact O-CG2 3.38Å; S24-V28 PolarHBondContact O-N 3.49Å
25S49.9Very low60Low66 Ų66117.9 Ų117.946%0.46260%0.597SS.*Hα-helixtrans-75.4-28.2-17666.40000113.1M21 A22 M27 N29M21-S25 PolarHBondContact O-N 3.44Å; A22-S25 PolarHBondContact O-N 2.76Å; A22-S25 PolarHBondContact O-OG 3.29Å; S25-M27 VanDerWaalsContact C-N 3.28Å; S25-M27 PolarHBondContact O-N 3.06Å; S25-N29 PolarHBondContact O-N 3Å
26Y56.7Low60.4Low117 Ų117119.8 Ų119.846%0.45961%0.605SS.*Hα-helixtrans-73.7-16.7175.310.6-90.5000114.4A22 M23 S30A22-Y26 HydrophobicContact CB-CE1 3.8Å; A22-Y26 WeakPolarHBondContact O-CD1 3.41Å; A22-Y26 WeakPolarHBondContact O-CE1 3.21Å; A22-Y26 WeakPolarHBondContact O-CE2 3.36Å; M23-Y26 WeakPolarHBondContact CA-OH 3.46Å; M23-Y26 HydrophobicContact CB-CD2 4.25Å; M23-Y26 HydrophobicContact CB-CE2 3.2Å; M23-Y26 WeakPolarHBondContact CB-OH 3.3Å; M23-Y26 HydrophobicContact CG-CE2 3.4Å; M23-Y26 VanDerWaalsContact CG-CZ 3.45Å; M23-Y26 WeakPolarHBondContact CG-OH 3.17Å; M23-Y26 PolarHBondContact N-OH 3.02Å; M23-Y26 WeakPolarHBondContact O-CD2 3.48Å; M23-Y26 WeakPolarHBondContact O-CE2 3.4Å; Y26-S30 WeakPolarHBondContact O-CB 3.32Å; Y26-S30 PolarHBondContact O-OG 3.11Å
27M60.4Low60Low162 Ų162120.4 Ų120.480%0.79861%0.611SS**Hα-helixtrans-95.1-22.7176-65.5-169.867.100112.8S24 S25S24-M27 PolarHBondContact O-N 3.08Å; S25-M27 VanDerWaalsContact C-N 3.28Å; S25-M27 PolarHBondContact O-N 3.06Å
28V57.4Low60.3Low108 Ų108120.6 Ų120.666%0.65562%0.617SS**Hα-helixtrans-96.3-24.5-173.5174.30000113.3S24S24-V28 WeakPolarHBondContact O-CG2 3.38Å; S24-V28 PolarHBondContact O-N 3.49Å
29N49.2Very low60.4Low135 Ų135118.9 Ų118.972%0.72262%0.617SS**SBendtrans-117.412.1-179.3-74.877.8000114.3S25 K31S25-N29 PolarHBondContact O-N 3Å; N29-K31 PolarHBondContact O-N 3.33Å
30S51.9Low60Low66 Ų66117.8 Ų117.846%0.46263%0.625SS.*  trans-75115.6172.2-117.50000109.3Y26 Y32Y26-S30 WeakPolarHBondContact O-CB 3.32Å; Y26-S30 PolarHBondContact O-OG 3.11Å; S30-Y32 PolarHBondContact O-N 3.22Å
31K60.2Low59.5Low203 Ų203120.5 Ų120.588%0.88364%0.635SS**  trans-71.468158.124-162.7166.3-1660107.2N29 V33N29-K31 PolarHBondContact O-N 3.33Å; K31-V33 PolarHBondContact O-N 3.33Å
32Y55.5Low58.8Low184 Ų184121 Ų12172%0.72264%0.636SS**  trans-70.899177.7-140.1-94.9000105.6S30 D34S30-Y32 PolarHBondContact O-N 3.22Å; Y32-D34 VanDerWaalsContact C-N 3.31Å; Y32-D34 PolarHBondContact O-N 2.88Å
33V63.3Low58.4Low129 Ų129129.5 Ų129.578%0.78266%0.661SS**  trans-63107.1158.7178.20000103.9K31 P35K31-V33 PolarHBondContact O-N 3.33Å; V33-P35 WeakPolarHBondContact O-CD 3.36Å
34D65.3Low58.3Low125 Ų125128.6 Ų128.667%0.66867%0.665SS**  trans-50115.9170.8-175.529.3000106.6Y32 K36Y32-D34 VanDerWaalsContact C-N 3.31Å; Y32-D34 PolarHBondContact O-N 2.88Å; D34-K36 VanDerWaalsContact C-N 3.34Å; D34-K36 PolarHBondContact O-N 3Å
35P65Low58.3Low66 Ų66132.3 Ų132.343%0.42967%0.674SS.*  trans-60.3105.6-179.222.6-30.5000106.6V33 F37V33-P35 WeakPolarHBondContact O-CD 3.36Å; P35-F37 HydrophobicContact CG-CE2 4.25Å; P35-F37 WeakPolarHBondContact O-CD2 3.37Å; P35-F37 PolarHBondContact O-N 3.31Å
36K75Confident58.3Low189 Ų189136.2 Ų136.282%0.82269%0.69SS**  trans-63.195.1173.4-17573.6177.5179.40105.7D34D34-K36 VanDerWaalsContact C-N 3.34Å; D34-K36 PolarHBondContact O-N 3Å
37F59.1Low57.8Low162 Ų162138.1 Ų138.171%0.71171%0.708SS**PPolyproline II helixtrans-53.8129.4174-76-86.6000107.4P35P35-F37 HydrophobicContact CG-CE2 4.25Å; P35-F37 WeakPolarHBondContact O-CD2 3.37Å; P35-F37 PolarHBondContact O-N 3.31Å
38P70.9Confident57.3Low91 Ų91140.5 Ų140.559%0.59171%0.71SS**PPolyproline II helixtrans-51.3132.8173.8-23.432.7000108.4C40P38-C40 PolarHBondContact O-N 2.99Å
39P63.5Low56.8Low92 Ų92142.6 Ų142.660%0.59772%0.715SS**PPolyproline II helixtrans-49.8128.2172.3-22.831.7000108.9E41P39-E41 PolarHBondContact O-N 3.26Å
40C52.4Low56.5Low113 Ų113141.3 Ų141.376%0.76471%0.714SS**G310 helixtrans-61.8-6.7-174.8-66.60000114.2P38 E42 Y43P38-C40 PolarHBondContact O-N 2.99Å; C40-E42 PolarHBondContact O-N 3.2Å; C40-Y43 PolarHBondContact O-N 2.88Å
41E57.5Low56.4Low171 Ų171146.1 Ų146.180%0.79973%0.73SS**G310 helixtrans-65.1-22.3-178.1-73.9-179.7150.500113.7P39 Y43 S44P39-E41 PolarHBondContact O-N 3.26Å; E41-Y43 VanDerWaalsContact C-N 3.32Å; E41-Y43 PolarHBondContact O-N 3.49Å; E41-S44 PolarHBondContact O-OG 3.19Å
42E52Low55.7Low146 Ų146145.3 Ų145.368%0.68273%0.729SS**G310 helixtrans-82.5-10.2179.3-137.1173.4-166.600113.4C40C40-E42 PolarHBondContact O-N 3.2Å
43Y52.7Low55.2Low218 Ų218139.5 Ų139.586%0.85573%0.725SS**G310 helixtrans-89.1-7.8-179.3-98.5-86.2000114.5C40 E41C40-Y43 PolarHBondContact O-N 2.88Å; E41-Y43 VanDerWaalsContact C-N 3.32Å; E41-Y43 PolarHBondContact O-N 3.49Å
44S54.2Low54.5Low84 Ų84138.2 Ų138.259%0.58772%0.721SS**G310 helixtrans-94.518.7176.764.40000114E41 N46E41-S44 PolarHBondContact O-OG 3.19Å; S44-N46 VanDerWaalsContact C-N 3.27Å; S44-N46 PolarHBondContact O-N 2.82Å; S44-N46 PolarHBondContact O-ND2 3.09Å
45Q53Low53.6Low151 Ų151139.6 Ų139.671%0.70673%0.729SS**  trans-69.488.6170.7-99.4168.3-8.600110.4N47Q45-N47 PolarHBondContact O-N 3.25Å
46N48.8Very low53Low149 Ų149145.2 Ų145.280%0.79775%0.747SS**  trans-59.830.3176.2-87.7-63.1000115.6S44S44-N46 VanDerWaalsContact C-N 3.27Å; S44-N46 PolarHBondContact O-N 2.82Å; S44-N46 PolarHBondContact O-ND2 3.09Å
47N45.5Very low51.4Low156 Ų156146.6 Ų146.683%0.83475%0.748SS**  trans-110.811.1-178.4-78.24.8000114.4Q45Q45-N47 PolarHBondContact O-N 3.25Å
48Y50.3Low50.5Low213 Ų213144.3 Ų144.384%0.83575%0.753SS**SBendtrans-93.80.1179.2-152-99.7000114.8
49I46.6Very low49.1Very low151 Ų151145.4 Ų145.477%0.77476%0.76SS**SBendtrans-109.3108.8171.8-55.9176.8000106.7E51I49-E51 PolarHBondContact O-N 3.27Å; I49-E51 VanDerWaalsContact O-N 3.17Å
50P43.5Very low48Very low108 Ų108145.8 Ų145.870%0.70177%0.77SS**  trans-57.9120.2165.2-16.729.5000107.6Q52P50-Q52 PolarHBondContact O-N 3.43Å
51E49.1Very low47.8Very low168 Ų168148.8 Ų148.879%0.78577%0.774SS**  trans-60.3103.4173.8-152.2-142.8164.100108.3I49I49-E51 PolarHBondContact O-N 3.27Å; I49-E51 VanDerWaalsContact O-N 3.17Å
52Q47.3Very low46.7Very low186 Ų186148.8 Ų148.887%0.86978%0.779SS**  trans-119.6110161.9-69.8-143.721.500107.9P50P50-Q52 PolarHBondContact O-N 3.43Å
53G43.2Very low46.5Very low61 Ų61146 Ų14663%0.62978%0.78SS**  trans68.984.9151.900000116.2D55G53-D55 PolarHBondContact O-N 2.93Å
54S49.7Very low45.9Very low102 Ų102142.4 Ų142.471%0.71378%0.776SS**THydrogen-bonded Turntrans-74.248.7168.641.50000113.6
55D45.8Very low45.2Very low155 Ų155148.5 Ų148.583%0.82979%0.793SS**THydrogen-bonded Turntrans-126-1.9-179.2-73.2-46.2000116.1G53G53-D55 PolarHBondContact O-N 2.93Å
56F52.4Low44.8Very low184 Ų184148.8 Ų148.881%0.80779%0.794SS**SBendtrans-96.8-13.6-166.9-149-101.8000117.4
57Y42.6Very low44.1Very low217 Ų217149.8 Ų149.885%0.85179%0.793SS**  trans-146.282.2177.6-103-89.5000111.4
58S38.6Very low44Very low114 Ų114147.8 Ų147.880%0.79779%0.789SS**  trans-120.3114.9158-148.50000107.9A60S58-A60 PolarHBondContact O-N 2.85Å
59P42.5Very low43.6Very low115 Ų115141.1 Ų141.175%0.74779%0.785SS**  trans-79.9103.4175.430.6-27.1000108Q61P59-Q61 PolarHBondContact O-N 3.38Å
60A39.6Very low43.4Very low99 Ų99140.7 Ų140.782%0.81878%0.783SS**  trans-67.8116.2167.600000108.8S58S58-A60 PolarHBondContact O-N 2.85Å
61Q48.8Very low43.4Very low177 Ų177143.7 Ų143.783%0.82779%0.792SS**  trans-70.1122.7157.4-66.6-179.2-1300106.8P59P59-Q61 PolarHBondContact O-N 3.38Å
62D35.5Very low42.8Very low170 Ų170145.6 Ų145.691%0.90979%0.793SS**  trans-177159.4138.6-93.7-33.2000112
63A46.3Very low42.8Very low87 Ų87142.7 Ų142.772%0.71979%0.791SS**  trans-74.3168.6-15700000116.9
64D40.5Very low42.4Very low143 Ų143151 Ų15177%0.76580%0.803SS**  trans58.4100.9155.9-91.4-42.6000118.1
65F39.3Very low41.8Very low212 Ų212151.4 Ų151.493%0.9381%0.806SS**  trans-158.9116.3139.3-118.8-85.6000110.7
66Q44.1Very low41.3Very low157 Ų157151.5 Ų151.573%0.73481%0.807SS**  trans-71.2150.8168-76.2169.70.200111
67H35.4Very low40.4Very low170 Ų170153.4 Ų153.479%0.78781%0.81SS**  trans137.3162.9150.2-76.6-65000113.6
68P43.3Very low40.4Very low114 Ų114148.9 Ų148.974%0.7481%0.805SS**  -122-175.7-89.424.51000110.8
69G42.5Very low40.1Very low73 Ų73152.1 Ų152.175%0.75381%0.808SS**  trans-55.8148.4-164.300000118.2
70I41.3Very low39.8Very low143 Ų143152.5 Ų152.573%0.73380%0.799SS**  trans-136.4123152.3-69.4-64.8000108.3
71L42.7Very low39.8Very low170 Ų170153 Ų15389%0.8979%0.794SS**  trans-64126.4175.4-68.7146.2000110.7
72Y37Very low39Very low208 Ų208152.6 Ų152.682%0.81679%0.79SS**  trans-105.1126.4157.5-71-77.8000109.1R74Y72-R74 PolarHBondContact O-N 2.99Å; Y72-R74 VanDerWaalsContact O-N 3.17Å
73P47.3Very low38.7Very low126 Ų126150 Ų15082%0.81879%0.785SS**  trans-67.2114.3177.8-16.229.5000110.4S75P73-S75 PolarHBondContact O-N 3.28Å
74R34.9Very low37.9Very low235 Ų235151.4 Ų151.489%0.88779%0.789SS**  trans-72.2111.9167-174.7176.1179.4162.6-1.9107.6Y72 N76Y72-R74 PolarHBondContact O-N 2.99Å; Y72-R74 VanDerWaalsContact O-N 3.17Å; R74-N76 PolarHBondContact O-N 3.12Å
75S37.5Very low37.4Very low110 Ų110149.4 Ų149.477%0.76979%0.786SS**  trans-51.7126.9172.3-61.70000110.5P73 Y77P73-S75 PolarHBondContact O-N 3.28Å; S75-Y77 PolarHBondContact O-N 3.46Å; S75-Y77 VanDerWaalsContact O-N 3.17Å
76N36.3Very low37.1Very low158 Ų158145.8 Ų145.885%0.84578%0.781SS**  trans-50.6112.9177.8-73-46.6000111.4R74R74-N76 PolarHBondContact O-N 3.12Å
77Y33.6Very low36.7Very low223 Ų223144.7 Ų144.788%0.87579%0.785SS**  trans-111111.2155.7-128.5-93000106.7S75 E79S75-Y77 PolarHBondContact O-N 3.46Å; S75-Y77 VanDerWaalsContact O-N 3.17Å; Y77-E79 PolarHBondContact O-N 2.88Å; Y77-E79 VanDerWaalsContact O-N 3.11Å
78T41.4Very low37Very low122 Ų122142.3 Ų142.375%0.74879%0.785SS**  trans-75.295.8174.1-38.70000107.7Q80T78-Q80 HydrophobicContact CG2-CG 4.49Å; T78-Q80 PolarHBondContact O-N 3.5Å
79E33Very low36.2Very low182 Ų182143.8 Ų143.885%0.8579%0.787SS**  trans-69.9114162.1-81.2-112.2116.800107.9Y77Y77-E79 PolarHBondContact O-N 2.88Å; Y77-E79 VanDerWaalsContact O-N 3.11Å
80Q36.3Very low35.7Very low123 Ų123145.2 Ų145.258%0.57579%0.785SS**  trans-108.7122167.3-92.1-7526.600108.7T78 F82T78-Q80 HydrophobicContact CG2-CG 4.49Å; T78-Q80 PolarHBondContact O-N 3.5Å; Q80-F82 HydrophobicContact CB-CD2 4.11Å; Q80-F82 HydrophobicContact CB-CE1 4.48Å; Q80-F82 HydrophobicContact CB-CE2 3.39Å; Q80-F82 HydrophobicContact CB-CZ 3.6Å; Q80-F82 HydrophobicContact CG-CE2 3.95Å; Q80-F82 HydrophobicContact CG-CZ 3.75Å
81P38.7Very low35.2Very low110 Ų110143.3 Ų143.371%0.71479%0.79SS**  trans-86.1113.6178.332-28000109.4
82F31.4Very low34.8Very low168 Ų168141.2 Ų141.274%0.73779%0.785SS**  trans-123.5112.8170.6-54.1-57.7000112.3Q80Q80-F82 HydrophobicContact CB-CD2 4.11Å; Q80-F82 HydrophobicContact CB-CE1 4.48Å; Q80-F82 HydrophobicContact CB-CE2 3.39Å; Q80-F82 HydrophobicContact CB-CZ 3.6Å; Q80-F82 HydrophobicContact CG-CE2 3.95Å; Q80-F82 HydrophobicContact CG-CZ 3.75Å
83S30.6Very low34.8Very low115 Ų115140.3 Ų140.380%0.80479%0.788SS**  trans-56.4145.6169.1150.30000113
84C28.5Very low34.3Very low118 Ų118140 Ų14080%0.79779%0.785SS**  trans-66.1132.1169.5168.90000111.7
85S31.2Very low34.2Very low101 Ų101140.5 Ų140.571%0.70679%0.787SS**  trans-166.9124147.9-77.80000112.3
86T31.8Very low33.7Very low135 Ų135138.3 Ų138.383%0.82878%0.782SS**  trans48.2131.8143.946.40000123.6
87V36.4Very low33.8Very low134 Ų134140 Ų14081%0.81278%0.784SS**  trans-52.6158.8164.3-60.40000113.8
88P41.8Very low33.7Very low121 Ų121134.1 Ų134.179%0.78678%0.783SS**  -140.4143.171.126.8-3.3000114.2
89D26.4Very low33Very low145 Ų145131.2 Ų131.278%0.77578%0.777SS**  96.313093.1-161.826.9000115
90S32.1Very low33.1Very low102 Ų102132 Ų13271%0.71378%0.78SS**  trans10.5134.6163.4-58.60000122.9
91A30.4Very low32.9Very low103 Ų103133 Ų13385%0.85180%0.795SS**  -161.5139.812000000112.5
92V34.1Very low32.6Very low127 Ų127133 Ų13377%0.7780%0.804SS**  trans-81.2148.7-173.91640000111.9
93Q37.2Very low32.5Very low189 Ų189132.1 Ų132.188%0.88380%0.802SS**  trans-131.1139.5147.8-78.2-141.4-8.600111.5
94P37.2Very low32.5Very low118 Ų118134.4 Ų134.477%0.76680%0.798SS**  trans-97.2145.1-177.537.1-30.6000111.8
95R31.6Very low32.5Very low246 Ų246135.5 Ų135.593%0.92880%0.795SS**  trans-143.5112.2160.2-163.4168.9179.6155.3-1.2109.2
96G26.8Very low32.4Very low64 Ų64134.6 Ų134.666%0.6679%0.794SS**  trans-81.6168-18000000113.7
97H39.2Very low32.4Very low193 Ų193137.5 Ų137.589%0.89480%0.799SS**  trans-157125.8139.8-95.1-9.1000109.9
98A31Very low32.3Very low101 Ų101136.8 Ų136.884%0.83579%0.794SS**  trans-55.1153.7154.900000108.9
99G28Very low31.8Very low61 Ų61139.4 Ų139.463%0.62980%0.796SS**  cis123.2107.535.700000105.8
100H33.4Very low32.1Very low197 Ų197140.8 Ų140.891%0.91280%0.798SS**  trans-145.7107.8166.1-74.4-67.4000109.9
101T32.8Very low32Very low145 Ų145139.3 Ų139.389%0.8980%0.799SS**  trans-81.2137.6154.933.90000109.7
102A32.1Very low32.6Very low110 Ų110139.8 Ų139.891%0.90979%0.793SS**  trans-155.6143.9151.900000110
103H29.9Very low32.9Very low149 Ų149139.8 Ų139.869%0.6980%0.796SS**  trans-124.6161.4-163-159.7-59.1000109.5
104F29.8Very low33Very low164 Ų164137 Ų13772%0.71979%0.791SS**  trans73.4150167.4-67.1-71.7000116.8
105D29.6Very low32.9Very low140 Ų140140.1 Ų140.175%0.74980%0.796SS**  cis-155.11658.7-137.8-45.7000110.9
106A29.9Very low33Very low82 Ų82135.1 Ų135.168%0.67879%0.793SS**  trans-87.2136.9170.600000110.4
107Q31.2Very low33.4Very low197 Ų197136.5 Ų136.592%0.92180%0.798SS**  trans-154.4128.9153.9-114.7173.75.400112.6
108T34.2Very low33.7Very low118 Ų118130.3 Ų130.372%0.72479%0.786SS**  trans-59.2136.8164.9-47.80000110.6
109E31.6Very low34.2Very low176 Ų176131.5 Ų131.582%0.82279%0.785SS**  trans-159.9144.9147.8-99.7-63.280.300110.3
110Q31.5Very low35.1Very low175 Ų175140.1 Ų140.182%0.81880%0.799SS**  trans-91.2144-168.1-66.1157.9-0.600111.3
111G30.8Very low35.3Very low71 Ų71136.6 Ų136.673%0.73279%0.792SS**  trans-154.6148.6173.900000112
112P43.2Very low35.5Very low113 Ų113135.6 Ų135.673%0.73479%0.789SS**  trans-82163.2-150.533.7-36.4000114.8V114P112-V114 PolarHBondContact O-N 2.96Å
113P40.6Very low36.1Very low126 Ų126134.1 Ų134.182%0.81879%0.785SS**  trans-78.5109.1-178.331.3-32.2000111.5
114V37.7Very low36.5Very low131 Ų131134.7 Ų134.779%0.79479%0.788SS**  trans-80.5119.7164.9176.50000108.6P112 T116P112-V114 PolarHBondContact O-N 2.96Å; V114-T116 PolarHBondContact O-N 3.32Å
115Q36.7Very low37.3Very low184 Ų184136.1 Ų136.186%0.8680%0.796SS**  trans-66.1111.1177.3-60.8171.723.600109.5A117Q115-A117 PolarHBondContact O-N 3.24Å
116T33.1Very low37.9Very low141 Ų141137.2 Ų137.287%0.86580%0.797SS**  trans-7491.4166.843.90000109.3V114 G118V114-T116 PolarHBondContact O-N 3.32Å; T116-G118 PolarHBondContact O-N 3.14Å
117A35.1Very low38.6Very low93 Ų93140 Ų14077%0.76980%0.801SS**  trans-65.8110.4157.700000108Q115Q115-A117 PolarHBondContact O-N 3.24Å
118G45.3Very low39.2Very low63 Ų63134.8 Ų134.865%0.64979%0.791SS**  trans-66.6139.717000000110T116 R120T116-G118 PolarHBondContact O-N 3.14Å; G118-R120 PolarHBondContact O-N 3.46Å; G118-R120 VanDerWaalsContact O-N 3.13Å
119P42Very low39.7Very low125 Ų125138.4 Ų138.481%0.81280%0.797SS**  trans-76.9104.1164.817.4-6.3000108
120R46.6Very low40.2Very low243 Ų243135.6 Ų135.692%0.91780%0.796SS**  trans-79115.7147.4-58.4-170.1-156.7-155.76.9107G118G118-R120 PolarHBondContact O-N 3.46Å; G118-R120 VanDerWaalsContact O-N 3.13Å
121T38Very low41Very low123 Ų123136.5 Ų136.576%0.75580%0.801SS**  trans-146.1105.1150.952.20000105.7
122C36.1Very low41.5Very low124 Ų124140.9 Ų140.984%0.83881%0.808SS**  59.3117.680.9-164.50000111.4Q124C122-Q124 PolarHBondContact O-N 3.23Å
123G45.3Very low41.7Very low79 Ų79139.2 Ų139.281%0.81481%0.811SS**  trans-55.5120-179.400000111.3
124Q37.8Very low42.2Very low161 Ų161141 Ų14175%0.75281%0.813SS**  trans-98.897.3171.9-161164.224.500108.1C122 Q126C122-Q124 PolarHBondContact O-N 3.23Å; Q124-Q126 HydrophobicContact CG-CG 4.2Å; Q124-Q126 PolarHBondContact O-N 3.11Å
125Q47Very low42.8Very low194 Ų194144.4 Ų144.491%0.90782%0.82SS**  trans-66106.8155.7-82.6177.2-3.200106.9N127Q125-N127 PolarHBondContact O-N 3.44Å
126Q43.1Very low43.7Very low162 Ų162140.1 Ų140.176%0.75782%0.816SS**  trans-80.3104.9166.4-66.7-1794.800107.5Q124 A128Q124-Q126 HydrophobicContact CG-CG 4.2Å; Q124-Q126 PolarHBondContact O-N 3.11Å; Q126-A128 PolarHBondContact O-N 3.18Å
127N43.8Very low45.1Very low141 Ų141142.7 Ų142.775%0.75482%0.815SS**  trans-79.394.3168.4-171.72.7000108Q125Q125-N127 PolarHBondContact O-N 3.44Å
128A43.3Very low46.2Very low88 Ų88146.5 Ų146.573%0.72782%0.817SS**  trans-95.7100.1166.600000108.3Q126 S130Q126-A128 PolarHBondContact O-N 3.18Å; A128-S130 PolarHBondContact O-N 3.37Å
129K45.5Very low47.3Very low194 Ų194148.8 Ų148.884%0.84382%0.82SS**  trans-66.9112.5162.4-89.8169.7172.6173.90107.9
130S41.1Very low49Very low116 Ų116147.1 Ų147.181%0.81182%0.817SS**  trans-128112.4158.9-82.30000108.3A128 N132A128-S130 PolarHBondContact O-N 3.37Å; S130-N132 PolarHBondContact O-N 3.42Å
131Q48.8Very low50.8Low195 Ų195140.6 Ų140.691%0.91180%0.804SS**  trans-71.8102.4165.2-78.2-179.6-19.500107.9
132N41.4Very low53.2Low163 Ų163138.7 Ų138.787%0.87279%0.792SS**  trans-172.5129.3134.7-110.3-40.5000109.3S130 L134S130-N132 PolarHBondContact O-N 3.42Å; N132-L134 PolarHBondContact O-N 2.92Å; N132-L134 VanDerWaalsContact O-N 3.1Å
133G47.7Very low55.7Low78 Ų78139 Ų13980%0.80478%0.777SS**  trans-72.499.4-173.800000112.3
134L50.8Low57.7Low164 Ų164140 Ų14086%0.85977%0.769SS**  trans-132.4118.9149.7-70.9172.8000105.7N132 A136N132-L134 PolarHBondContact O-N 2.92Å; N132-L134 VanDerWaalsContact O-N 3.1Å; L134-A136 PolarHBondContact O-N 2.8Å
135Q50.8Low60.1Low202 Ų202142 Ų14294%0.94477%0.769SS**  trans-60.897.6-178.6-70.91803.700109.3K137Q135-K137 PolarHBondContact O-N 3.06Å
136A55.8Low62Low94 Ų94137.1 Ų137.178%0.77775%0.748SS**  trans-64.2106.9170.400000107.6L134 Q138L134-A136 PolarHBondContact O-N 2.8Å; A136-Q138 PolarHBondContact O-N 3.21Å
137K62.5Low64Low195 Ų195135.5 Ų135.585%0.84874%0.738SS**  trans-49.6124.9168-87.4-178.5172.81780107.9Q135Q135-K137 PolarHBondContact O-N 3.06Å
138Q58.4Low65.7Low173 Ų173135.3 Ų135.381%0.80873%0.731SS**  trans-43.8128.2176.6-68.6-75.47.800109.8A136 A140A136-Q138 PolarHBondContact O-N 3.21Å; Q138-A140 PolarHBondContact O-N 3.08Å
139P67.1Low67.1Low110 Ų110136.5 Ų136.571%0.71473%0.729SS**  trans-61.2128.3177.325.2-32.3000108.6V141P139-V141 PolarHBondContact O-N 3.5Å
140A78.2Confident68Low90 Ų90133.9 Ų133.974%0.74472%0.719SS**  trans-53.5129.7-177.200000111.3Q138 V142Q138-A140 PolarHBondContact O-N 3.08Å; A140-V142 PolarHBondContact O-N 3.08Å; A140-V142 VanDerWaalsContact O-N 3.09Å
141V84.9Confident68.7Low106 Ų106130.6 Ų130.664%0.64269%0.694SS**  trans-71.4105.5-179.8179.90000109.5P139 Y143P139-V141 PolarHBondContact O-N 3.5Å; V141-Y143 HydrophobicContact CG1-CE1 4.15Å; V141-Y143 HydrophobicContact CG1-CE2 4.36Å
142V87.6Confident68.9Low83 Ų83127.5 Ų127.550%0.50369%0.689SS.*  trans-88.9107.6176.1-177.30000110.2A140 M146 K147A140-V142 PolarHBondContact O-N 3.08Å; A140-V142 VanDerWaalsContact O-N 3.09Å; V142-M146 HydrophobicContact CG1-CB 3.9Å; V142-K147 HydrophobicContact CG1-CG 4.08Å
143Y89.4Confident69.6Low132 Ų132125.7 Ų125.752%0.51868%0.684SS.*  trans-70.2152.8178.5-64.8-79.3000112.4V141 W145 M146V141-Y143 HydrophobicContact CG1-CE1 4.15Å; V141-Y143 HydrophobicContact CG1-CE2 4.36Å; Y143-W145 VanDerWaalsContact CB-CD1 3.5Å; Y143-W145 VanDerWaalsContact CB-NE1 3.31Å; Y143-W145 AromaticContact CG-NE1 3.87Å; Y143-W145 PolarHBondContact O-N 3.33Å; Y143-W145 VanDerWaalsContact O-N 3.09Å; Y143-M146 HydrophobicContact CD2-SD 3.73Å; Y143-M146 HydrophobicContact CG-SD 4.39Å; Y143-M146 VanDerWaalsContact O-CB 3.32Å; Y143-M146 WeakPolarHBondContact O-CB 3.44Å; Y143-M146 PolarHBondContact O-N 3.04Å
144P87Confident69.7Low100 Ų100127.5 Ų127.565%0.64968%0.679SS**G310 helixtrans-54.6-32.4-177.7-28.936000115.3M146 K147P144-M146 VanDerWaalsContact C-N 3.31Å; P144-K147 WeakPolarHBondContact O-CB 3.49Å; P144-K147 PolarHBondContact O-N 3.41Å
145W88.1Confident69.7Low201 Ų201125.5 Ų125.576%0.76167%0.669SS**G310 helixtrans-72.8-23.5177.566.9-95000113.4Y143Y143-W145 VanDerWaalsContact CB-CD1 3.5Å; Y143-W145 VanDerWaalsContact CB-NE1 3.31Å; Y143-W145 AromaticContact CG-NE1 3.87Å; Y143-W145 PolarHBondContact O-N 3.33Å; Y143-W145 VanDerWaalsContact O-N 3.09Å
146M87.1Confident70.1Confident92 Ų92122 Ų12245%0.45366%0.664SS.*G310 helixtrans-77.6-13.9176-58.4173.371.800111.5V142 Y143 P144V142-M146 HydrophobicContact CG1-CB 3.9Å; Y143-M146 HydrophobicContact CD2-SD 3.73Å; Y143-M146 HydrophobicContact CG-SD 4.39Å; Y143-M146 VanDerWaalsContact O-CB 3.32Å; Y143-M146 WeakPolarHBondContact O-CB 3.44Å; Y143-M146 PolarHBondContact O-N 3.04Å; P144-M146 VanDerWaalsContact C-N 3.31Å
147K83.6Confident70.1Confident129 Ų129124 Ų12456%0.56166%0.661SS**SBendtrans-79.5130.7177.1-57.8-175.9178.3-175.40109.5V142 P144 V149V142-K147 HydrophobicContact CG1-CG 4.08Å; P144-K147 WeakPolarHBondContact O-CB 3.49Å; P144-K147 PolarHBondContact O-N 3.41Å; K147-V149 PolarHBondContact O-N 2.77Å
148K80.3Confident69.6Low137 Ų137124.4 Ų124.460%0.59666%0.659SS**  trans-7297.9178.9-60.7175.979.8-156.50109.8H150 V151 E162K148-H150 PolarHBondContact O-N 3.49Å; K148-H150 VanDerWaalsContact O-N 3.14Å; K148-V151 HydrophobicContact CB-CB 4.5Å; K148-V151 HydrophobicContact CB-CG2 3.58Å; K148-E162 IonicContact NZ-OE2 3.11Å; K148-E162 PolarHBondContact NZ-OE2 3.38Å
149V72.2Confident69.4Low113 Ų113123.3 Ų123.369%0.68566%0.664SS**THydrogen-bonded Turntrans-62-21.6-174.7179.20000114.3K147 V151K147-V149 PolarHBondContact O-N 2.77Å; V149-V151 VanDerWaalsContact C-N 3.34Å; V149-V151 PolarHBondContact O-N 2.86Å
150H65.4Low68.7Low138 Ų138120 Ų12064%0.63965%0.65SS**THydrogen-bonded Turntrans-88.25.5-172.1-60.992000115K148 R165K148-H150 PolarHBondContact O-N 3.49Å; K148-H150 VanDerWaalsContact O-N 3.14Å; H150-R165 PolarHBondContact O-NH2 3.14Å
151V55.1Low67.9Low47 Ų47121.6 Ų121.629%0.28566%0.656SS.*SBendtrans-111-24.3-160.5178.50000113.7K148 V149 T153 E162K148-V151 HydrophobicContact CB-CB 4.5Å; K148-V151 HydrophobicContact CB-CG2 3.58Å; V149-V151 VanDerWaalsContact C-N 3.34Å; V149-V151 PolarHBondContact O-N 2.86Å; V151-T153 PolarHBondContact O-N 2.96Å; V151-E162 WeakPolarHBondContact CB-OE1 3.43Å; V151-E162 HydrophobicContact CG1-CG 4.23Å; V151-E162 WeakPolarHBondContact CG1-OE1 3.29Å; V151-E162 VanDerWaalsContact CG2-CD 3.47Å; V151-E162 WeakPolarHBondContact CG2-OE1 3.44Å; V151-E162 WeakPolarHBondContact CG2-OE2 3.49Å
152T53.8Low66.6Low130 Ų130120.4 Ų120.480%0.79864%0.643SS**THydrogen-bonded Turntrans-844.3-163.119.10000116.8
153T56.1Low65.3Low126 Ų126121.8 Ų121.877%0.77365%0.654SS**THydrogen-bonded Turntrans-97.5-0.9-172.30.50000115.5V151V151-T153 PolarHBondContact O-N 2.96Å
154V50.2Low64.5Low115 Ų115124.4 Ų124.470%0.69767%0.668SS**SBendtrans-138.5100.9176.5-74.60000110.8
155N49.2Very low63.9Low122 Ų122128.8 Ų128.865%0.65267%0.672SS**  trans67.1113.6166.8-58.8-45.4000117.9D157N155-D157 PolarHBondContact O-N 3.25Å
156P60.4Low63.7Low128 Ų128124.5 Ų124.583%0.83167%0.672SS**THydrogen-bonded Turntrans-64-16.4171.6-19.632.2000114.9
157D56.4Low63.8Low137 Ų137131.3 Ų131.373%0.73369%0.693SS**THydrogen-bonded Turntrans-98.42.1-165-49.4-36.6000114.3N155 T159N155-D157 PolarHBondContact O-N 3.25Å; D157-T159 PolarHBondContact O-N 2.9Å
158Y50.4Low64.2Low204 Ų204130.9 Ų130.980%0.870%0.701SS**  trans-89.885.5179.8-115.7-94.8000111.8G160Y158-G160 PolarHBondContact O-N 3.29Å; Y158-G160 VanDerWaalsContact O-N 3.07Å
159T55.4Low64.9Low149 Ų149128.5 Ų128.591%0.91471%0.707SS**  trans-76.968.5162.848.40000110.1D157D157-T159 PolarHBondContact O-N 2.9Å
160G52.6Low66.1Low40 Ų40126.5 Ų126.541%0.41269%0.688SS.*SBendtrans-150.6125.4178.600000110.9Y158 E162Y158-G160 PolarHBondContact O-N 3.29Å; Y158-G160 VanDerWaalsContact O-N 3.07Å; G160-E162 PolarHBondContact O-N 2.71Å
161S60.3Low67.7Low125 Ų125123.6 Ų123.687%0.87468%0.68SS**  trans-21.3102.3176.2580000114
162E57.7Low69.7Low80 Ų80130.9 Ų130.937%0.37470%0.702SS.*  trans-65.8134.3-167.4-140.1-144.6152.300112.4K148 V151 G160 K164K148-E162 IonicContact NZ-OE2 3.11Å; K148-E162 PolarHBondContact NZ-OE2 3.38Å; V151-E162 WeakPolarHBondContact CB-OE1 3.43Å; V151-E162 HydrophobicContact CG1-CG 4.23Å; V151-E162 WeakPolarHBondContact CG1-OE1 3.29Å; V151-E162 VanDerWaalsContact CG2-CD 3.47Å; V151-E162 WeakPolarHBondContact CG2-OE1 3.44Å; V151-E162 WeakPolarHBondContact CG2-OE2 3.49Å; G160-E162 PolarHBondContact O-N 2.71Å; E162-K164 PolarHBondContact O-N 2.96Å
163P61.6Low71.8Confident113 Ų113131.4 Ų131.473%0.73470%0.696SS**  trans-65.3105.6174.7-18.731000110.5R165P163-R165 PolarHBondContact O-N 2.8Å
164K72.3Confident73.8Confident187 Ų187126.9 Ų126.981%0.81367%0.665SS**  trans-52.5115.1164-71.7150-177.6168.90106.7E162 S166E162-K164 PolarHBondContact O-N 2.96Å; K164-S166 PolarHBondContact O-N 3.48Å
165R74.2Confident76.1Confident192 Ų192123.6 Ų123.673%0.72565%0.646SS**  trans-51.1104175.8-74.8-175.9-172.6175.23.4108.4H150 P163 R167H150-R165 PolarHBondContact O-NH2 3.14Å; P163-R165 PolarHBondContact O-N 2.8Å; R165-R167 PolarHBondContact O-N 3.44Å
166S83.6Confident78.4Confident110 Ų110121.6 Ų121.677%0.76963%0.634SS**PPolyproline II helixtrans-66.1132.7-177.4-175.70000108.7K164 T168K164-S166 PolarHBondContact O-N 3.48Å; S166-T168 PolarHBondContact O-N 3Å
167R88.6Confident80.2Confident236 Ų236118.5 Ų118.589%0.89161%0.609SS**PPolyproline II helixtrans-83.2116.9176.2-74.7-178.4178-90.61.1108.4R165R165-R167 PolarHBondContact O-N 3.44Å
168T92.6Very high82.2Confident120 Ų120112 Ų11274%0.73657%0.574SS**PPolyproline II helixtrans-74.3126.8168.4-41.90000109.7S166S166-T168 PolarHBondContact O-N 3Å
169A95.3Very high84.5Confident86 Ų86105.5 Ų105.571%0.71155%0.551SS**PPolyproline II helixtrans-83147.5172.100000110.6
170Y97.8Very high86.5Confident71 Ų71104.3 Ų104.328%0.27853%0.533SS..PPolyproline II helixtrans-81.9145.5170.5-60.4-47.9000110.1L202 Q206 W210Y170-L202 HydrophobicContact CD1-CD1 4.07Å; Y170-L202 HydrophobicContact CD1-CD2 3.87Å; Y170-L202 HydrophobicContact CE1-CD1 3.97Å; Y170-L202 HydrophobicContact CE1-CD2 3.68Å; Y170-L202 HydrophobicContact CE1-CG 4.49Å; Y170-Q206 WeakPolarHBondContact OH-CB 3.4Å; Y170-W210 AromaticContact CD2-CD1 3.89Å; Y170-W210 AromaticContact CE2-CD1 3.66Å
171T98.3Very high88.7Confident77 Ų77103.1 Ų103.147%0.47252%0.517SS..PPolyproline II helixtrans-68.5159.6174.973.90000110.6Q173 Q174 V175T171-Q173 VanDerWaalsContact C-N 3.28Å; T171-Q173 PolarHBondContact O-N 3.32Å; T171-Q174 PolarHBondContact O-N 3.31Å; T171-Q174 VanDerWaalsContact OG1-CG 3.3Å; T171-Q174 WeakPolarHBondContact OG1-CG 3.23Å; T171-Q174 PolarHBondContact OG1-N 3.25Å; T171-V175 WeakPolarHBondContact O-CG2 3.35Å; T171-V175 PolarHBondContact O-N 3.09Å
172R97.7Very high90.5Very high200 Ų20097.3 Ų97.376%0.75548%0.476SS*.Hα-helixtrans-56.3-43.4177.4-174.7173.5-178.9-88.1-0.2112V175 L176R172-V175 PolarHBondContact O-N 3.27Å; R172-L176 HydrophobicContact CG-CD1 4.21Å; R172-L176 WeakPolarHBondContact O-CG 3.36Å; R172-L176 PolarHBondContact O-N 2.84Å
173Q97.9Very high92.3Very high142 Ų14299.1 Ų99.166%0.66448%0.484SS*.Hα-helixtrans-60.6-45.2177.4-178.6-177.5-16.800111.9T171 V175 L176 E177T171-Q173 VanDerWaalsContact C-N 3.28Å; T171-Q173 PolarHBondContact O-N 3.32Å; Q173-V175 VanDerWaalsContact C-N 3.32Å; Q173-V175 PolarHBondContact O-N 3.3Å; Q173-L176 PolarHBondContact O-N 3.18Å; Q173-E177 PolarHBondContact O-N 3Å; Q173-E177 VanDerWaalsContact O-N 3.08Å
174Q98Very high94Very high30 Ų30101.6 Ų101.614%0.1448%0.484CS..Hα-helixtrans-59.5-44.1177.2-72.8171.8-25.300111.5T171 L178 L200T171-Q174 PolarHBondContact O-N 3.31Å; T171-Q174 VanDerWaalsContact OG1-CG 3.3Å; T171-Q174 WeakPolarHBondContact OG1-CG 3.23Å; T171-Q174 PolarHBondContact OG1-N 3.25Å; Q174-L178 WeakPolarHBondContact O-CB 3.33Å; Q174-L178 WeakPolarHBondContact O-CD1 3.44Å; Q174-L178 WeakPolarHBondContact O-CG 3.19Å; Q174-L178 PolarHBondContact O-N 3.06Å; Q174-L200 HydrophobicContact CG-CB 4.33Å; Q174-L200 PolarHBondContact NE2-O 3.03Å
175V98.3Very high95.2Very high47 Ų4796 Ų9629%0.28546%0.463SS..Hα-helixtrans-63-44.8178.4176.80000111.2T171 R172 Q173 L178 E179T171-V175 WeakPolarHBondContact O-CG2 3.35Å; T171-V175 PolarHBondContact O-N 3.09Å; R172-V175 PolarHBondContact O-N 3.27Å; Q173-V175 VanDerWaalsContact C-N 3.32Å; Q173-V175 PolarHBondContact O-N 3.3Å; V175-L178 PolarHBondContact O-N 3.39Å; V175-E179 HydrophobicContact CG1-CG 4.37Å; V175-E179 WeakPolarHBondContact O-CG 3.48Å; V175-E179 PolarHBondContact O-N 3.32Å
176L98.1Very high96.2Very high79 Ų7991.7 Ų91.741%0.41445%0.446SS..Hα-helixtrans-62-46.2-179.4-71.3173000112.4R172 Q173 L178 E179 K180R172-L176 HydrophobicContact CG-CD1 4.21Å; R172-L176 WeakPolarHBondContact O-CG 3.36Å; R172-L176 PolarHBondContact O-N 2.84Å; Q173-L176 PolarHBondContact O-N 3.18Å; L176-L178 PolarHBondContact O-N 2.9Å; L176-E179 PolarHBondContact O-N 3.37Å; L176-K180 WeakPolarHBondContact O-CB 3.35Å; L176-K180 PolarHBondContact O-N 2.83Å
177E97.8Very high96.9Very high64 Ų6493.2 Ų93.230%0.29944%0.436SS..Hα-helixtrans-65.6-38.9177.4-72.9-62.414500111.7Q173 E179 K180 E181 L200Q173-E177 PolarHBondContact O-N 3Å; Q173-E177 VanDerWaalsContact O-N 3.08Å; E177-E179 VanDerWaalsContact C-N 3.34Å; E177-E179 PolarHBondContact O-N 2.85Å; E177-K180 PolarHBondContact O-N 3.11Å; E177-K180 IonicContact OE1-NZ 3.67Å; E177-K180 IonicContact OE2-NZ 2.76Å; E177-K180 PolarHBondContact OE2-NZ 2.67Å; E177-E181 WeakPolarHBondContact O-CB 3.49Å; E177-E181 WeakPolarHBondContact O-CG 3.41Å; E177-E181 PolarHBondContact O-N 3.37Å; E177-L200 HydrophobicContact CB-CD1 4.13Å; E177-L200 HydrophobicContact CB-CD2 3.68Å; E177-L200 HydrophobicContact CB-CG 4.47Å; E177-L200 HydrophobicContact CG-CD2 3.96Å
178L98.4Very high97.4Very high0 Ų083.5 Ų83.50%040%0.402CS..Hα-helixtrans-63-40.1174.1-71.7167.5000112.2Q174 V175 L176 F182 I196 L200 L202 I207 W210 F211Q174-L178 WeakPolarHBondContact O-CB 3.33Å; Q174-L178 WeakPolarHBondContact O-CD1 3.44Å; Q174-L178 WeakPolarHBondContact O-CG 3.19Å; Q174-L178 PolarHBondContact O-N 3.06Å; V175-L178 PolarHBondContact O-N 3.39Å; L176-L178 PolarHBondContact O-N 2.9Å; L178-F182 WeakPolarHBondContact O-CB 3.47Å; L178-F182 PolarHBondContact O-N 3.47Å; L178-I196 HydrophobicContact CD2-CG2 4.19Å; L178-L200 HydrophobicContact CD1-CD1 4.4Å; L178-L200 HydrophobicContact CD2-CD1 3.85Å; L178-L200 HydrophobicContact CG-CD1 3.68Å; L178-L202 HydrophobicContact CD1-CD1 4.31Å; L178-I207 HydrophobicContact CD2-CD1 3.74Å; L178-W210 VanDerWaalsContact C-CH2 3.48Å; L178-W210 HydrophobicContact CB-CD2 3.93Å; L178-W210 HydrophobicContact CB-CE3 3.93Å; L178-W210 HydrophobicContact CB-CH2 3.62Å; L178-W210 HydrophobicContact CB-CZ2 3.59Å; L178-W210 HydrophobicContact CB-CZ3 3.78Å; L178-W210 HydrophobicContact CD1-CD2 3.86Å; L178-W210 HydrophobicContact CD1-CG 3.83Å; L178-W210 HydrophobicContact CD1-CZ2 4.5Å; L178-W210 HydrophobicContact CD2-CD2 4.35Å; L178-W210 HydrophobicContact CD2-CE3 4.27Å; L178-W210 HydrophobicContact CG-CD2 4.27Å; L178-W210 HydrophobicContact CG-CE3 4.48Å; L178-W210 WeakPolarHBondContact O-CH2 3.31Å; L178-W210 WeakPolarHBondContact O-CZ3 3.38Å; L178-F211 HydrophobicContact CD2-CE2 4.05Å
179E98.3Very high97.6Very high67 Ų6781.8 Ų81.831%0.31339%0.391SS..Hα-helixtrans-67-45.4175.3-74.8-167.3168.600111.8V175 L176 E177 E181 F182 H183 W210V175-E179 HydrophobicContact CG1-CG 4.37Å; V175-E179 WeakPolarHBondContact O-CG 3.48Å; V175-E179 PolarHBondContact O-N 3.32Å; L176-E179 PolarHBondContact O-N 3.37Å; E177-E179 VanDerWaalsContact C-N 3.34Å; E177-E179 PolarHBondContact O-N 2.85Å; E179-E181 VanDerWaalsContact C-N 3.33Å; E179-E181 PolarHBondContact O-N 2.9Å; E179-F182 WeakPolarHBondContact O-CB 3.34Å; E179-F182 PolarHBondContact O-N 3.16Å; E179-F182 VanDerWaalsContact O-N 3.12Å; E179-H183 PolarHBondContact O-N 3.42Å; E179-H183 PolarHBondContact O-ND1 3.1Å; E179-W210 HydrophobicContact CG-CH2 3.92Å; E179-W210 HydrophobicContact CG-CZ2 3.97Å
180K97.8Very high97.8Very high124 Ų12484.1 Ų84.154%0.53938%0.382SS..Hα-helixtrans-54.2-49.9174.4176-175.6166.5-164.10111.3L176 E177 F182 H183 F184L176-K180 WeakPolarHBondContact O-CB 3.35Å; L176-K180 PolarHBondContact O-N 2.83Å; E177-K180 PolarHBondContact O-N 3.11Å; E177-K180 IonicContact OE1-NZ 3.67Å; E177-K180 IonicContact OE2-NZ 2.76Å; E177-K180 PolarHBondContact OE2-NZ 2.67Å; K180-F182 VanDerWaalsContact C-N 3.31Å; K180-F182 PolarHBondContact O-N 3.23Å; K180-H183 PolarHBondContact O-N 2.84Å; K180-F184 PolarHBondContact O-N 3.41Å
181E97.9Very high97.8Very high16 Ų1689.6 Ų89.68%0.07540%0.402CS..Hα-helixtrans-63-36.6176.8-72.6-63.613300112.7E177 E179 F184 N185 R192 I196 F211E177-E181 WeakPolarHBondContact O-CB 3.49Å; E177-E181 WeakPolarHBondContact O-CG 3.41Å; E177-E181 PolarHBondContact O-N 3.37Å; E179-E181 VanDerWaalsContact C-N 3.33Å; E179-E181 PolarHBondContact O-N 2.9Å; E181-F184 PolarHBondContact O-N 3.13Å; E181-N185 PolarHBondContact O-N 3.32Å; E181-R192 IonicContact OE1-CZ 2.84Å; E181-R192 IonicContact OE1-NE 3.98Å; E181-R192 IonicContact OE1-NH2 3.02Å; E181-R192 PolarHBondContact OE1-NH2 3.47Å; E181-R192 IonicContact OE2-CZ 3.91Å; E181-R192 IonicContact OE2-NE 2.67Å; E181-R192 PolarHBondContact OE2-NE 3.48Å; E181-R192 IonicContact OE2-NH2 3.81Å; E181-R192 PolarHBondContact OE2-NH2 3.09Å; E181-R192 VanDerWaalsContact OE2-NH2 3.11Å; E181-I196 HydrophobicContact CB-CD1 4.02Å; E181-I196 HydrophobicContact CG-CD1 3.65Å; E181-I196 HydrophobicContact CG-CG1 4.05Å; E181-F211 HydrophobicContact CB-CZ 4.01Å
182F98.1Very high97.8Very high2 Ų289.9 Ų89.91%0.00939%0.394CS..Hα-helixtrans-65.9-37.5177.5-176.8-100000113L178 E179 K180 N185 R186 W210 F211 R214 R215 W218L178-F182 WeakPolarHBondContact O-CB 3.47Å; L178-F182 PolarHBondContact O-N 3.47Å; E179-F182 WeakPolarHBondContact O-CB 3.34Å; E179-F182 PolarHBondContact O-N 3.16Å; E179-F182 VanDerWaalsContact O-N 3.12Å; K180-F182 VanDerWaalsContact C-N 3.31Å; K180-F182 PolarHBondContact O-N 3.23Å; F182-N185 CarbonylContact O-C 3.27Å; F182-N185 VanDerWaalsContact O-C 3.27Å; F182-R186 HydrophobicContact CE1-CG 4.22Å; F182-R186 HydrophobicContact CE2-CB 4.04Å; F182-R186 HydrophobicContact CE2-CG 4.14Å; F182-R186 HydrophobicContact CZ-CB 4.25Å; F182-R186 HydrophobicContact CZ-CG 3.9Å; F182-R186 PolarHBondContact O-N 2.9Å; F182-W210 HydrophobicContact CB-CH2 4.34Å; F182-W210 HydrophobicContact CB-CZ3 4.07Å; F182-F211 HydrophobicContact CB-CE1 4.21Å; F182-F211 HydrophobicContact CB-CZ 4.32Å; F182-F211 AromaticContact CD2-CD1 3.96Å; F182-F211 HydrophobicContact CD2-CD1 3.96Å; F182-F211 AromaticContact CD2-CE1 3.91Å; F182-F211 HydrophobicContact CD2-CE1 3.91Å; F182-R214 HydrophobicContact CB-CG 4.4Å; F182-R214 HydrophobicContact CD1-CG 3.69Å; F182-R214 HydrophobicContact CD2-CB 4.21Å; F182-R214 HydrophobicContact CD2-CG 3.6Å; F182-R214 HydrophobicContact CE1-CG 3.77Å; F182-R214 HydrophobicContact CE2-CB 4.2Å; F182-R214 HydrophobicContact CE2-CG 3.69Å; F182-R214 HydrophobicContact CG-CG 3.6Å; F182-R214 HydrophobicContact CZ-CG 3.77Å; F182-R215 HydrophobicContact CE2-CG 3.7Å; F182-R215 HydrophobicContact CZ-CG 4.21Å; F182-W218 HydrophobicContact CE1-CB 4.22Å; F182-W218 HydrophobicContact CE1-CG 4.18Å; F182-W218 HydrophobicContact CZ-CB 3.99Å; F182-W218 HydrophobicContact CZ-CG 4.14Å
183H96.9Very high97.8Very high119 Ų11982.9 Ų82.955%0.55137%0.368SS*.Hα-helixtrans-68.6-40.3174.4-69.791.3000111.1E179 K180E179-H183 PolarHBondContact O-N 3.42Å; E179-H183 PolarHBondContact O-ND1 3.1Å; K180-H183 PolarHBondContact O-N 2.84Å
184F97.4Very high97.9Very high165 Ų16578.8 Ų78.872%0.72435%0.35SS*.Hα-helixtrans-61.4-50174.4-179.7-104.9000111.7K180 E181K180-F184 PolarHBondContact O-N 3.41Å; E181-F184 PolarHBondContact O-N 3.13Å
185N95.6Very high97.9Very high69 Ų6980.4 Ų80.437%0.36936%0.358SS..  trans-148.3118.8174.9-170.2-9.6000111.8E181 F182 Y187E181-N185 PolarHBondContact O-N 3.32Å; F182-N185 CarbonylContact O-C 3.27Å; F182-N185 VanDerWaalsContact O-C 3.27Å; N185-Y187 PolarHBondContact ND2-O 3.35Å; N185-Y187 PolarHBondContact O-N 3.41Å; N185-Y187 PolarHBondContact OD1-N 3.24Å; N185-Y187 PolarHBondContact OD1-O 3.45Å
186R96.9Very high97.9Very high101 Ų10178.5 Ų78.538%0.38135%0.346SS..SBendtrans-63.2-15.1179.6-68.1172.217073.5-2.1113.5F182 R215F182-R186 HydrophobicContact CE1-CG 4.22Å; F182-R186 HydrophobicContact CE2-CB 4.04Å; F182-R186 HydrophobicContact CE2-CG 4.14Å; F182-R186 HydrophobicContact CZ-CB 4.25Å; F182-R186 HydrophobicContact CZ-CG 3.9Å; F182-R186 PolarHBondContact O-N 2.9Å; R186-R215 WeakPolarHBondContact O-CD 3.41Å
187Y97.9Very high97.9Very high143 Ų14374.9 Ų74.956%0.56133%0.327SS*.SBendtrans-134.4126.3-179.7-63.6-102.9000111.1N185N185-Y187 PolarHBondContact ND2-O 3.35Å; N185-Y187 PolarHBondContact O-N 3.41Å; N185-Y187 PolarHBondContact OD1-N 3.24Å; N185-Y187 PolarHBondContact OD1-O 3.45Å
188L97.9Very high97.9Very high31 Ų3178.6 Ų78.616%0.16234%0.344CS..  trans-85.7142.9178.5-61.1178.8000112.9R192 R193 I196 I207 F211L188-R192 HydrophobicContact CD2-CG 3.92Å; L188-R193 HydrophobicContact CB-CB 4.45Å; L188-R193 HydrophobicContact CD1-CB 4.32Å; L188-I196 HydrophobicContact CD1-CD1 3.95Å; L188-I196 HydrophobicContact CD2-CD1 3.73Å; L188-I207 HydrophobicContact CD1-CG2 3.46Å; L188-I207 VanDerWaalsContact CD1-CG2 3.46Å; L188-F211 HydrophobicContact CD1-CD1 4.13Å; L188-F211 HydrophobicContact CD1-CD2 3.6Å; L188-F211 HydrophobicContact CD1-CE1 4Å; L188-F211 HydrophobicContact CD1-CE2 3.48Å; L188-F211 VanDerWaalsContact CD1-CE2 3.48Å; L188-F211 HydrophobicContact CD1-CG 3.95Å; L188-F211 HydrophobicContact CD1-CZ 3.68Å; L188-F211 HydrophobicContact CD2-CD1 4.44Å; L188-F211 HydrophobicContact CD2-CE1 3.71Å; L188-F211 HydrophobicContact CD2-CE2 4.32Å; L188-F211 HydrophobicContact CD2-CZ 3.65Å; L188-F211 HydrophobicContact CG-CD1 3.77Å; L188-F211 HydrophobicContact CG-CD2 4.18Å; L188-F211 HydrophobicContact CG-CE1 3.53Å; L188-F211 HydrophobicContact CG-CE2 4Å; L188-F211 HydrophobicContact CG-CG 4.09Å; L188-F211 HydrophobicContact CG-CZ 3.67Å
189T98.4Very high97.9Very high84 Ų8483.7 Ų83.752%0.51538%0.375SS..  trans-76.8168.5162.364.90000110.7R192 R193T189-R192 WeakPolarHBondContact OG1-CB 3.39Å; T189-R192 PolarHBondContact OG1-N 3.02Å; T189-R193 WeakPolarHBondContact O-CB 3.48Å; T189-R193 PolarHBondContact O-N 2.81Å; T189-R193 VanDerWaalsContact O-N 3.13Å
190R98.1Very high97.9Very high136 Ų13680.9 Ų80.951%0.51336%0.362SS..Hα-helixtrans-60.1-48.5177.1179.466.8177.291.1-11.5111.7R193 I194 E204R190-R193 PolarHBondContact O-N 2.8Å; R190-I194 WeakPolarHBondContact O-CG1 3.46Å; R190-I194 PolarHBondContact O-N 2.79Å; R190-E204 IonicContact CZ-OE1 2.81Å; R190-E204 IonicContact CZ-OE2 3.14Å; R190-E204 IonicContact NE-OE2 3.87Å; R190-E204 IonicContact NH1-OE1 3.55Å; R190-E204 PolarHBondContact NH1-OE1 3.48Å; R190-E204 IonicContact NH1-OE2 2.69Å; R190-E204 PolarHBondContact NH1-OE2 3.04Å; R190-E204 IonicContact NH2-OE1 2.8Å; R190-E204 PolarHBondContact NH2-OE1 2.69Å; R190-E204 IonicContact NH2-OE2 3.48Å; R190-E204 PolarHBondContact NH2-OE2 3.05Å
191R98.1Very high97.9Very high186 Ų18680.4 Ų80.470%0.70237%0.374SS*.Hα-helixtrans-60.9-50.8179.9178.1177.1168.31662111.4R193 I194 E195R191-R193 VanDerWaalsContact C-N 3.26Å; R191-R193 PolarHBondContact O-N 3.41Å; R191-I194 WeakPolarHBondContact O-CB 3.44Å; R191-I194 PolarHBondContact O-N 3.49Å; R191-E195 WeakPolarHBondContact CG-OE1 3.37Å; R191-E195 IonicContact CZ-OE1 3.95Å; R191-E195 IonicContact NE-OE1 3.93Å; R191-E195 PolarHBondContact NE-OE1 2.97Å; R191-E195 IonicContact NH2-OE1 3.18Å; R191-E195 PolarHBondContact O-N 3.44Å
192R98.3Very high97.9Very high83 Ų8380.5 Ų80.531%0.31337%0.374SS..Hα-helixtrans-61-35.3-179.1-171.256.2175.4177.2-0.5112.8E181 L188 T189 I194 E195 I196E181-R192 IonicContact OE1-CZ 2.84Å; E181-R192 IonicContact OE1-NE 3.98Å; E181-R192 IonicContact OE1-NH2 3.02Å; E181-R192 PolarHBondContact OE1-NH2 3.47Å; E181-R192 IonicContact OE2-CZ 3.91Å; E181-R192 IonicContact OE2-NE 2.67Å; E181-R192 PolarHBondContact OE2-NE 3.48Å; E181-R192 IonicContact OE2-NH2 3.81Å; E181-R192 PolarHBondContact OE2-NH2 3.09Å; E181-R192 VanDerWaalsContact OE2-NH2 3.11Å; L188-R192 HydrophobicContact CD2-CG 3.92Å; T189-R192 WeakPolarHBondContact OG1-CB 3.39Å; T189-R192 PolarHBondContact OG1-N 3.02Å; R192-I194 VanDerWaalsContact C-N 3.33Å; R192-I194 PolarHBondContact O-N 3.2Å; R192-E195 VanDerWaalsContact CD-OE2 3.23Å; R192-E195 WeakPolarHBondContact CD-OE2 3.31Å; R192-E195 IonicContact CZ-OE2 3.63Å; R192-E195 IonicContact NE-OE2 3.38Å; R192-E195 IonicContact NH1-OE2 3.24Å; R192-E195 PolarHBondContact NH1-OE2 3.37Å; R192-E195 PolarHBondContact O-N 2.99Å; R192-I196 HydrophobicContact CG-CD1 3.88Å; R192-I196 HydrophobicContact CG-CG1 4.44Å; R192-I196 WeakPolarHBondContact O-CG1 3.39Å; R192-I196 PolarHBondContact O-N 3.34Å; R192-I196 VanDerWaalsContact O-N 3.1Å
193R98.4Very high97.9Very high52 Ų5283.1 Ų83.120%0.19639%0.393CS..Hα-helixtrans-62.2-36.8174.4169.4168.445.6-122.6-11.1113L188 T189 R190 R191 A197 E204 I207L188-R193 HydrophobicContact CB-CB 4.45Å; L188-R193 HydrophobicContact CD1-CB 4.32Å; T189-R193 WeakPolarHBondContact O-CB 3.48Å; T189-R193 PolarHBondContact O-N 2.81Å; T189-R193 VanDerWaalsContact O-N 3.13Å; R190-R193 PolarHBondContact O-N 2.8Å; R191-R193 VanDerWaalsContact C-N 3.26Å; R191-R193 PolarHBondContact O-N 3.41Å; R193-A197 WeakPolarHBondContact O-CB 3.34Å; R193-A197 PolarHBondContact O-N 3.23Å; R193-A197 VanDerWaalsContact O-N 3.11Å; R193-E204 WeakPolarHBondContact CD-O 2.78Å; R193-E204 HydrophobicContact CG-CB 4.13Å; R193-E204 HydrophobicContact CG-CG 4.16Å; R193-E204 IonicContact NE-OE2 2.83Å; R193-I207 HydrophobicContact CG-CB 4.33Å; R193-I207 HydrophobicContact CG-CG2 4.19Å
194I98.5Very high98Very high57 Ų5780.4 Ų80.429%0.29238%0.381SS..Hα-helixtrans-65.7-48.6175.7-57.1167.9000109.8R190 R191 R192 I196 A197 H198R190-I194 WeakPolarHBondContact O-CG1 3.46Å; R190-I194 PolarHBondContact O-N 2.79Å; R191-I194 WeakPolarHBondContact O-CB 3.44Å; R191-I194 PolarHBondContact O-N 3.49Å; R192-I194 VanDerWaalsContact C-N 3.33Å; R192-I194 PolarHBondContact O-N 3.2Å; I194-I196 PolarHBondContact O-N 2.93Å; I194-A197 WeakPolarHBondContact O-CB 3.01Å; I194-A197 PolarHBondContact O-N 2.92Å; I194-H198 PolarHBondContact O-CD2 3.11Å; I194-H198 PolarHBondContact O-N 3.43Å
195E98.4Very high98Very high63 Ų6381 Ų8129%0.29438%0.378SS..Hα-helixtrans-55.7-51.7-177.9-66168.9-174.500111R191 R192 A197 H198 T199R191-E195 WeakPolarHBondContact CG-OE1 3.37Å; R191-E195 IonicContact CZ-OE1 3.95Å; R191-E195 IonicContact NE-OE1 3.93Å; R191-E195 PolarHBondContact NE-OE1 2.97Å; R191-E195 IonicContact NH2-OE1 3.18Å; R191-E195 PolarHBondContact O-N 3.44Å; R192-E195 VanDerWaalsContact CD-OE2 3.23Å; R192-E195 WeakPolarHBondContact CD-OE2 3.31Å; R192-E195 IonicContact CZ-OE2 3.63Å; R192-E195 IonicContact NE-OE2 3.38Å; R192-E195 IonicContact NH1-OE2 3.24Å; R192-E195 PolarHBondContact NH1-OE2 3.37Å; R192-E195 PolarHBondContact O-N 2.99Å; E195-A197 PolarHBondContact O-N 3.43Å; E195-H198 PolarHBondContact O-N 3.12Å; E195-T199 PolarHBondContact O-N 3.39Å; E195-T199 VanDerWaalsContact O-N 3.08Å; E195-T199 PolarHBondContact O-OG1 3.18Å; E195-T199 VanDerWaalsContact O-OG1 3.08Å
196I98.1Very high98.1Very high8 Ų880.6 Ų80.64%0.04137%0.374CS..Hα-helixtrans-65.1-39.3179.5-60.6164.4000111.6L178 E181 L188 R192 I194 H198 T199 L200 I207L178-I196 HydrophobicContact CD2-CG2 4.19Å; E181-I196 HydrophobicContact CB-CD1 4.02Å; E181-I196 HydrophobicContact CG-CD1 3.65Å; E181-I196 HydrophobicContact CG-CG1 4.05Å; L188-I196 HydrophobicContact CD1-CD1 3.95Å; L188-I196 HydrophobicContact CD2-CD1 3.73Å; R192-I196 HydrophobicContact CG-CD1 3.88Å; R192-I196 HydrophobicContact CG-CG1 4.44Å; R192-I196 WeakPolarHBondContact O-CG1 3.39Å; R192-I196 PolarHBondContact O-N 3.34Å; R192-I196 VanDerWaalsContact O-N 3.1Å; I194-I196 PolarHBondContact O-N 2.93Å; I196-H198 VanDerWaalsContact C-N 3.3Å; I196-H198 PolarHBondContact O-N 2.98Å; I196-T199 PolarHBondContact O-N 3Å; I196-L200 HydrophobicContact CG2-CD1 3.64Å; I196-L200 HydrophobicContact CG2-CG 4.11Å; I196-L200 WeakPolarHBondContact O-CB 2.93Å; I196-L200 WeakPolarHBondContact O-CG 3.43Å; I196-L200 PolarHBondContact O-N 3.27Å; I196-I207 HydrophobicContact CG2-CD1 3.91Å
197A98.4Very high98.2Very high3 Ų375.8 Ų75.83%0.02536%0.356CS..Hα-helixtrans-57.6-45.3178.300000111.4R193 I194 E195 C201 L202 E204 I207R193-A197 WeakPolarHBondContact O-CB 3.34Å; R193-A197 PolarHBondContact O-N 3.23Å; R193-A197 VanDerWaalsContact O-N 3.11Å; I194-A197 WeakPolarHBondContact O-CB 3.01Å; I194-A197 PolarHBondContact O-N 2.92Å; E195-A197 PolarHBondContact O-N 3.43Å; A197-C201 PolarHBondContact O-N 3.09Å; A197-C201 VanDerWaalsContact O-N 3.11Å; A197-L202 CarbonylContact C-O 3.46Å; A197-L202 VanDerWaalsContact CA-O 3.32Å; A197-L202 WeakPolarHBondContact CA-O 3.47Å; A197-L202 WeakPolarHBondContact CB-O 3.2Å; A197-L202 PolarHBondContact O-N 3.2Å; A197-L202 VanDerWaalsContact O-O 3.09Å; A197-E204 HydrophobicContact CB-CG 4.24Å; A197-I207 HydrophobicContact CB-CG1 4.05Å
198H98.4Very high98.2Very high142 Ų14275 Ų7566%0.65736%0.355SS*.Hα-helixtrans-67.6-46.5178.3-66.5-174.2000111.6I194 E195 I196 L200 C201I194-H198 PolarHBondContact O-CD2 3.11Å; I194-H198 PolarHBondContact O-N 3.43Å; E195-H198 PolarHBondContact O-N 3.12Å; I196-H198 VanDerWaalsContact C-N 3.3Å; I196-H198 PolarHBondContact O-N 2.98Å; H198-L200 VanDerWaalsContact C-N 3.28Å; H198-L200 PolarHBondContact O-N 3.33Å; H198-C201 PolarHBondContact O-N 3.05Å
199T97.8Very high98.2Very high106 Ų10676.3 Ų76.365%0.6536%0.362SS*.Hα-helixtrans-61.4-35-179.8-55.60000113.1E195 I196E195-T199 PolarHBondContact O-N 3.39Å; E195-T199 VanDerWaalsContact O-N 3.08Å; E195-T199 PolarHBondContact O-OG1 3.18Å; E195-T199 VanDerWaalsContact O-OG1 3.08Å; I196-T199 PolarHBondContact O-N 3Å
200L97.8Very high98.2Very high8 Ų873.8 Ų73.84%0.04234%0.343CS..Hα-helixtrans-98.20.6-176.3-59.4-173.8000114.1Q174 E177 L178 I196 H198 L202Q174-L200 HydrophobicContact CG-CB 4.33Å; Q174-L200 PolarHBondContact NE2-O 3.03Å; E177-L200 HydrophobicContact CB-CD1 4.13Å; E177-L200 HydrophobicContact CB-CD2 3.68Å; E177-L200 HydrophobicContact CB-CG 4.47Å; E177-L200 HydrophobicContact CG-CD2 3.96Å; L178-L200 HydrophobicContact CD1-CD1 4.4Å; L178-L200 HydrophobicContact CD2-CD1 3.85Å; L178-L200 HydrophobicContact CG-CD1 3.68Å; I196-L200 HydrophobicContact CG2-CD1 3.64Å; I196-L200 HydrophobicContact CG2-CG 4.11Å; I196-L200 WeakPolarHBondContact O-CB 2.93Å; I196-L200 WeakPolarHBondContact O-CG 3.43Å; I196-L200 PolarHBondContact O-N 3.27Å; H198-L200 VanDerWaalsContact C-N 3.28Å; H198-L200 PolarHBondContact O-N 3.33Å; L200-L202 HydrophobicContact CB-CD1 4.19Å; L200-L202 HydrophobicContact CB-CG 4.15Å; L200-L202 PolarHBondContact O-N 3.05Å
201C98.2Very high98.2Very high114 Ų11467.6 Ų67.677%0.7732%0.32SS*.THydrogen-bonded Turntrans51.542.5-172.4-54.50000112.5A197 H198A197-C201 PolarHBondContact O-N 3.09Å; A197-C201 VanDerWaalsContact O-N 3.11Å; H198-C201 PolarHBondContact O-N 3.05Å
202L97.6Very high98.2Very high18 Ų1862.9 Ų62.99%0.09431%0.306CS..  trans-117.7149.4177.4-66.4179.1000109.9Y170 L178 A197 L200 Q206 I207Y170-L202 HydrophobicContact CD1-CD1 4.07Å; Y170-L202 HydrophobicContact CD1-CD2 3.87Å; Y170-L202 HydrophobicContact CE1-CD1 3.97Å; Y170-L202 HydrophobicContact CE1-CD2 3.68Å; Y170-L202 HydrophobicContact CE1-CG 4.49Å; L178-L202 HydrophobicContact CD1-CD1 4.31Å; A197-L202 CarbonylContact C-O 3.46Å; A197-L202 VanDerWaalsContact CA-O 3.32Å; A197-L202 WeakPolarHBondContact CA-O 3.47Å; A197-L202 WeakPolarHBondContact CB-O 3.2Å; A197-L202 PolarHBondContact O-N 3.2Å; A197-L202 VanDerWaalsContact O-O 3.09Å; L200-L202 HydrophobicContact CB-CD1 4.19Å; L200-L202 HydrophobicContact CB-CG 4.15Å; L200-L202 PolarHBondContact O-N 3.05Å; L202-Q206 HydrophobicContact CB-CB 4.35Å; L202-I207 HydrophobicContact CB-CD1 3.89Å; L202-I207 HydrophobicContact CB-CG1 4.39Å; L202-I207 HydrophobicContact CD1-CD1 3.91Å
203S98.4Very high98.2Very high58 Ų5863.8 Ų63.841%0.40632%0.317SS..  trans-67.2149.6172.465.20000111.6R205 Q206 I207S203-R205 PolarHBondContact O-N 2.99Å; S203-Q206 WeakPolarHBondContact O-CB 3.23Å; S203-Q206 PolarHBondContact O-N 2.99Å; S203-Q206 VanDerWaalsContact OG-CG 3.3Å; S203-Q206 WeakPolarHBondContact OG-CG 3.37Å; S203-Q206 PolarHBondContact OG-N 3.31Å; S203-Q206 PolarHBondContact OG-OE1 3.36Å; S203-I207 PolarHBondContact O-N 2.82Å; S203-I207 VanDerWaalsContact O-N 3.09Å
204E98.4Very high98.2Very high62 Ų6263.1 Ų63.129%0.2931%0.314SS..Hα-helixtrans-51.6-34.3172.2-70.9-159.4-128.800113.2R190 R193 A197 I207 K208R190-E204 IonicContact CZ-OE1 2.81Å; R190-E204 IonicContact CZ-OE2 3.14Å; R190-E204 IonicContact NE-OE2 3.87Å; R190-E204 IonicContact NH1-OE1 3.55Å; R190-E204 PolarHBondContact NH1-OE1 3.48Å; R190-E204 IonicContact NH1-OE2 2.69Å; R190-E204 PolarHBondContact NH1-OE2 3.04Å; R190-E204 IonicContact NH2-OE1 2.8Å; R190-E204 PolarHBondContact NH2-OE1 2.69Å; R190-E204 IonicContact NH2-OE2 3.48Å; R190-E204 PolarHBondContact NH2-OE2 3.05Å; R193-E204 WeakPolarHBondContact CD-O 2.78Å; R193-E204 HydrophobicContact CG-CB 4.13Å; R193-E204 HydrophobicContact CG-CG 4.16Å; R193-E204 IonicContact NE-OE2 2.83Å; A197-E204 HydrophobicContact CB-CG 4.24Å; E204-I207 PolarHBondContact O-N 3.32Å; E204-K208 WeakPolarHBondContact O-CB 3.39Å; E204-K208 PolarHBondContact O-N 3.04Å
205R97.9Very high98.1Very high177 Ų17763.1 Ų63.167%0.66831%0.311SS*.Hα-helixtrans-64.7-44.3176.6-175.2178.7-175.5-84.4-0.2111.2S203 K208 I209S203-R205 PolarHBondContact O-N 2.99Å; R205-K208 PolarHBondContact O-N 2.99Å; R205-I209 HydrophobicContact CG-CD1 3.9Å; R205-I209 VanDerWaalsContact NH1-CD1 3.27Å; R205-I209 WeakPolarHBondContact O-CB 3.42Å; R205-I209 VanDerWaalsContact O-CG1 3.29Å; R205-I209 WeakPolarHBondContact O-CG1 3Å; R205-I209 PolarHBondContact O-N 3.41Å
206Q98.1Very high98.1Very high60 Ų6064.5 Ų64.528%0.2832%0.318SS..Hα-helixtrans-62.1-46.7176.1-76.6163.4-53.300110.8Y170 L202 S203 K208 I209 W210Y170-Q206 WeakPolarHBondContact OH-CB 3.4Å; L202-Q206 HydrophobicContact CB-CB 4.35Å; S203-Q206 WeakPolarHBondContact O-CB 3.23Å; S203-Q206 PolarHBondContact O-N 2.99Å; S203-Q206 VanDerWaalsContact OG-CG 3.3Å; S203-Q206 WeakPolarHBondContact OG-CG 3.37Å; S203-Q206 PolarHBondContact OG-N 3.31Å; S203-Q206 PolarHBondContact OG-OE1 3.36Å; Q206-K208 VanDerWaalsContact C-N 3.32Å; Q206-K208 PolarHBondContact O-N 3.44Å; Q206-I209 PolarHBondContact O-N 3.22Å; Q206-W210 WeakPolarHBondContact O-CB 3.29Å; Q206-W210 PolarHBondContact O-N 3.39Å
207I98.4Very high97.9Very high0 Ų069.9 Ų69.90%034%0.341CS..Hα-helixtrans-56.9-46.6174.9-56-58.2000110.7L178 L188 R193 I196 A197 L202 S203 E204 I209 W210 F211L178-I207 HydrophobicContact CD2-CD1 3.74Å; L188-I207 HydrophobicContact CD1-CG2 3.46Å; L188-I207 VanDerWaalsContact CD1-CG2 3.46Å; R193-I207 HydrophobicContact CG-CB 4.33Å; R193-I207 HydrophobicContact CG-CG2 4.19Å; I196-I207 HydrophobicContact CG2-CD1 3.91Å; A197-I207 HydrophobicContact CB-CG1 4.05Å; L202-I207 HydrophobicContact CB-CD1 3.89Å; L202-I207 HydrophobicContact CB-CG1 4.39Å; L202-I207 HydrophobicContact CD1-CD1 3.91Å; S203-I207 PolarHBondContact O-N 2.82Å; S203-I207 VanDerWaalsContact O-N 3.09Å; E204-I207 PolarHBondContact O-N 3.32Å; I207-I209 PolarHBondContact O-N 3.47Å; I207-W210 PolarHBondContact O-N 2.73Å; I207-F211 HydrophobicContact CG2-CD2 4.1Å; I207-F211 HydrophobicContact CG2-CE2 4.31Å; I207-F211 WeakPolarHBondContact O-CD2 3.42Å; I207-F211 PolarHBondContact O-N 3.2Å
208K98.1Very high97.7Very high126 Ų12673.4 Ų73.455%0.54835%0.354SS..Hα-helixtrans-60.3-45.9178.1-176.8179.4120.5179.20112.3E204 R205 Q206 Q212E204-K208 WeakPolarHBondContact O-CB 3.39Å; E204-K208 PolarHBondContact O-N 3.04Å; R205-K208 PolarHBondContact O-N 2.99Å; Q206-K208 VanDerWaalsContact C-N 3.32Å; Q206-K208 PolarHBondContact O-N 3.44Å; K208-Q212 WeakPolarHBondContact O-CB 3.3Å; K208-Q212 PolarHBondContact O-N 3.04Å
209I98.2Very high97.5Very high59 Ų5971 Ų7130%0.30334%0.342SS..Hα-helixtrans-66-43.8179.4-71169.4000110.3R205 Q206 I207 F211 Q212 N213R205-I209 HydrophobicContact CG-CD1 3.9Å; R205-I209 VanDerWaalsContact NH1-CD1 3.27Å; R205-I209 WeakPolarHBondContact O-CB 3.42Å; R205-I209 VanDerWaalsContact O-CG1 3.29Å; R205-I209 WeakPolarHBondContact O-CG1 3Å; R205-I209 PolarHBondContact O-N 3.41Å; Q206-I209 PolarHBondContact O-N 3.22Å; I207-I209 PolarHBondContact O-N 3.47Å; I209-F211 PolarHBondContact O-N 2.88Å; I209-Q212 WeakPolarHBondContact O-CB 2.8Å; I209-Q212 PolarHBondContact O-N 3.5Å; I209-Q212 VanDerWaalsContact O-N 3.16Å; I209-N213 PolarHBondContact O-N 3.38Å
210W98.4Very high97.2Very high32 Ų3274.2 Ų74.212%0.12135%0.347CS..Hα-helixtrans-59.6-48.6178.5-169.4101.1000111.2Y170 L178 E179 F182 Q206 I207 Q212 N213 R214Y170-W210 AromaticContact CD2-CD1 3.89Å; Y170-W210 AromaticContact CE2-CD1 3.66Å; L178-W210 VanDerWaalsContact C-CH2 3.48Å; L178-W210 HydrophobicContact CB-CD2 3.93Å; L178-W210 HydrophobicContact CB-CE3 3.93Å; L178-W210 HydrophobicContact CB-CH2 3.62Å; L178-W210 HydrophobicContact CB-CZ2 3.59Å; L178-W210 HydrophobicContact CB-CZ3 3.78Å; L178-W210 HydrophobicContact CD1-CD2 3.86Å; L178-W210 HydrophobicContact CD1-CG 3.83Å; L178-W210 HydrophobicContact CD1-CZ2 4.5Å; L178-W210 HydrophobicContact CD2-CD2 4.35Å; L178-W210 HydrophobicContact CD2-CE3 4.27Å; L178-W210 HydrophobicContact CG-CD2 4.27Å; L178-W210 HydrophobicContact CG-CE3 4.48Å; L178-W210 WeakPolarHBondContact O-CH2 3.31Å; L178-W210 WeakPolarHBondContact O-CZ3 3.38Å; E179-W210 HydrophobicContact CG-CH2 3.92Å; E179-W210 HydrophobicContact CG-CZ2 3.97Å; F182-W210 HydrophobicContact CB-CH2 4.34Å; F182-W210 HydrophobicContact CB-CZ3 4.07Å; Q206-W210 WeakPolarHBondContact O-CB 3.29Å; Q206-W210 PolarHBondContact O-N 3.39Å; I207-W210 PolarHBondContact O-N 2.73Å; W210-Q212 VanDerWaalsContact C-N 3.28Å; W210-Q212 PolarHBondContact O-N 2.83Å; W210-N213 PolarHBondContact O-N 3.13Å; W210-R214 HydrophobicContact CE3-CB 3.94Å; W210-R214 HydrophobicContact CE3-CG 4.49Å; W210-R214 HydrophobicContact CH2-CB 4.03Å; W210-R214 HydrophobicContact CH2-CG 3.74Å; W210-R214 HydrophobicContact CZ3-CB 3.68Å; W210-R214 HydrophobicContact CZ3-CG 3.73Å; W210-R214 WeakPolarHBondContact O-CB 3.38Å; W210-R214 PolarHBondContact O-N 3.35Å
211F98.6Very high96.7Very high6 Ų678.4 Ų78.43%0.02637%0.369CS..Hα-helixtrans-64.7-29.8176.8-91.5-103.2000113.2L178 E181 F182 L188 I207 I209 R215L178-F211 HydrophobicContact CD2-CE2 4.05Å; E181-F211 HydrophobicContact CB-CZ 4.01Å; F182-F211 HydrophobicContact CB-CE1 4.21Å; F182-F211 HydrophobicContact CB-CZ 4.32Å; F182-F211 AromaticContact CD2-CD1 3.96Å; F182-F211 HydrophobicContact CD2-CD1 3.96Å; F182-F211 AromaticContact CD2-CE1 3.91Å; F182-F211 HydrophobicContact CD2-CE1 3.91Å; L188-F211 HydrophobicContact CD1-CD1 4.13Å; L188-F211 HydrophobicContact CD1-CD2 3.6Å; L188-F211 HydrophobicContact CD1-CE1 4Å; L188-F211 HydrophobicContact CD1-CE2 3.48Å; L188-F211 VanDerWaalsContact CD1-CE2 3.48Å; L188-F211 HydrophobicContact CD1-CG 3.95Å; L188-F211 HydrophobicContact CD1-CZ 3.68Å; L188-F211 HydrophobicContact CD2-CD1 4.44Å; L188-F211 HydrophobicContact CD2-CE1 3.71Å; L188-F211 HydrophobicContact CD2-CE2 4.32Å; L188-F211 HydrophobicContact CD2-CZ 3.65Å; L188-F211 HydrophobicContact CG-CD1 3.77Å; L188-F211 HydrophobicContact CG-CD2 4.18Å; L188-F211 HydrophobicContact CG-CE1 3.53Å; L188-F211 HydrophobicContact CG-CE2 4Å; L188-F211 HydrophobicContact CG-CG 4.09Å; L188-F211 HydrophobicContact CG-CZ 3.67Å; I207-F211 HydrophobicContact CG2-CD2 4.1Å; I207-F211 HydrophobicContact CG2-CE2 4.31Å; I207-F211 WeakPolarHBondContact O-CD2 3.42Å; I207-F211 PolarHBondContact O-N 3.2Å; I209-F211 PolarHBondContact O-N 2.88Å; F211-R215 WeakPolarHBondContact O-CB 3.48Å; F211-R215 VanDerWaalsContact O-CG 3.31Å; F211-R215 WeakPolarHBondContact O-CG 3.42Å; F211-R215 PolarHBondContact O-N 2.85Å; F211-R215 PolarHBondContact O-NE 3.41Å; F211-R215 VanDerWaalsContact O-NE 3.09Å
212Q98.4Very high96Very high87 Ų8779 Ų7941%0.40736%0.36SS..Hα-helixtrans-67.7-49.3172.3-174.163.249.300110.9K208 I209 W210 R214 R215 M216K208-Q212 WeakPolarHBondContact O-CB 3.3Å; K208-Q212 PolarHBondContact O-N 3.04Å; I209-Q212 WeakPolarHBondContact O-CB 2.8Å; I209-Q212 PolarHBondContact O-N 3.5Å; I209-Q212 VanDerWaalsContact O-N 3.16Å; W210-Q212 VanDerWaalsContact C-N 3.28Å; W210-Q212 PolarHBondContact O-N 2.83Å; Q212-R214 PolarHBondContact O-N 3.48Å; Q212-R215 PolarHBondContact O-N 2.93Å; Q212-M216 WeakPolarHBondContact O-CG 3.16Å; Q212-M216 PolarHBondContact O-N 2.94Å; Q212-M216 VanDerWaalsContact O-N 3.11Å
213N97.9Very high94.6Very high101 Ų10184.8 Ų84.854%0.5439%0.385SS..Hα-helixtrans-62.1-43.7178.4-68.5-15.2000111.4I209 W210 R215 M216 K217I209-N213 PolarHBondContact O-N 3.38Å; W210-N213 PolarHBondContact O-N 3.13Å; N213-R215 PolarHBondContact O-N 3.32Å; N213-M216 WeakPolarHBondContact O-CB 3.38Å; N213-M216 PolarHBondContact O-N 3Å; N213-M216 VanDerWaalsContact O-N 3.14Å; N213-K217 PolarHBondContact O-N 3.38Å
214R98.1Very high92.6Very high39 Ų3989 Ų8915%0.14740%0.402CS..Hα-helixtrans-62-41.6179.5-174.764.8-172.6106.5-8112.2F182 W210 Q212 K217 W218F182-R214 HydrophobicContact CB-CG 4.4Å; F182-R214 HydrophobicContact CD1-CG 3.69Å; F182-R214 HydrophobicContact CD2-CB 4.21Å; F182-R214 HydrophobicContact CD2-CG 3.6Å; F182-R214 HydrophobicContact CE1-CG 3.77Å; F182-R214 HydrophobicContact CE2-CB 4.2Å; F182-R214 HydrophobicContact CE2-CG 3.69Å; F182-R214 HydrophobicContact CG-CG 3.6Å; F182-R214 HydrophobicContact CZ-CG 3.77Å; W210-R214 HydrophobicContact CE3-CB 3.94Å; W210-R214 HydrophobicContact CE3-CG 4.49Å; W210-R214 HydrophobicContact CH2-CB 4.03Å; W210-R214 HydrophobicContact CH2-CG 3.74Å; W210-R214 HydrophobicContact CZ3-CB 3.68Å; W210-R214 HydrophobicContact CZ3-CG 3.73Å; W210-R214 WeakPolarHBondContact O-CB 3.38Å; W210-R214 PolarHBondContact O-N 3.35Å; Q212-R214 PolarHBondContact O-N 3.48Å; R214-K217 PolarHBondContact O-N 2.84Å; R214-W218 WeakPolarHBondContact O-CB 3.42Å; R214-W218 PolarHBondContact O-N 3.05Å
215R97.5Very high90.6Very high56 Ų5692.1 Ų92.121%0.21143%0.427CS..Hα-helixtrans-64.1-38.3173.5-76.2-178.2-71.4148.32.1112.6F182 R186 F211 Q212 N213 W218 K219F182-R215 HydrophobicContact CE2-CG 3.7Å; F182-R215 HydrophobicContact CZ-CG 4.21Å; R186-R215 WeakPolarHBondContact O-CD 3.41Å; F211-R215 WeakPolarHBondContact O-CB 3.48Å; F211-R215 VanDerWaalsContact O-CG 3.31Å; F211-R215 WeakPolarHBondContact O-CG 3.42Å; F211-R215 PolarHBondContact O-N 2.85Å; F211-R215 PolarHBondContact O-NE 3.41Å; F211-R215 VanDerWaalsContact O-NE 3.09Å; Q212-R215 PolarHBondContact O-N 2.93Å; N213-R215 PolarHBondContact O-N 3.32Å; R215-W218 PolarHBondContact O-N 3.03Å; R215-K219 WeakPolarHBondContact O-CB 3.3Å; R215-K219 PolarHBondContact O-N 3.44Å
216M96.7Very high87.8Confident92 Ų9289.9 Ų89.945%0.45343%0.429SS..Hα-helixtrans-64.2-44176-66-63.3-89.200111.3Q212 N213 K219 K220Q212-M216 WeakPolarHBondContact O-CG 3.16Å; Q212-M216 PolarHBondContact O-N 2.94Å; Q212-M216 VanDerWaalsContact O-N 3.11Å; N213-M216 WeakPolarHBondContact O-CB 3.38Å; N213-M216 PolarHBondContact O-N 3Å; N213-M216 VanDerWaalsContact O-N 3.14Å; M216-K219 PolarHBondContact O-N 2.9Å; M216-K220 PolarHBondContact O-N 3.25Å; M216-K220 VanDerWaalsContact O-N 3.12Å
217K95.3Very high85.5Confident121 Ų12193.2 Ų93.253%0.52645%0.453SS..Hα-helixtrans-61.3-51.4173.6-177177.4178-1730111.4N213 R214 K219 K220 D221N213-K217 PolarHBondContact O-N 3.38Å; R214-K217 PolarHBondContact O-N 2.84Å; K217-K219 VanDerWaalsContact C-N 3.28Å; K217-K219 PolarHBondContact O-N 3.33Å; K217-K220 WeakPolarHBondContact O-CA 3.16Å; K217-K220 WeakPolarHBondContact O-CB 3.32Å; K217-K220 PolarHBondContact O-N 3.4Å; K217-D221 WeakPolarHBondContact CG-OD2 3.41Å; K217-D221 PolarHBondContact O-N 2.93Å
218W94.3Very high83Confident77 Ų77103 Ų10329%0.29250%0.496SS..Hα-helixtrans-55.1-42.7177.3-17782000112.3F182 R214 R215 K220 D221 H222F182-W218 HydrophobicContact CE1-CB 4.22Å; F182-W218 HydrophobicContact CE1-CG 4.18Å; F182-W218 HydrophobicContact CZ-CB 3.99Å; F182-W218 HydrophobicContact CZ-CG 4.14Å; R214-W218 WeakPolarHBondContact O-CB 3.42Å; R214-W218 PolarHBondContact O-N 3.05Å; R215-W218 PolarHBondContact O-N 3.03Å; W218-K220 VanDerWaalsContact C-N 3.33Å; W218-K220 PolarHBondContact O-N 3.43Å; W218-D221 PolarHBondContact O-N 3.32Å; W218-H222 AromaticContact CD1-CD2 3.21Å; W218-H222 AromaticContact CD1-NE2 3.33Å; W218-H222 VanDerWaalsContact CD1-NE2 3.33Å; W218-H222 AromaticContact CD2-CD2 3.89Å; W218-H222 AromaticContact CE2-CD2 3.48Å; W218-H222 VanDerWaalsContact CE2-CD2 3.48Å; W218-H222 AromaticContact CE2-CG 3.91Å; W218-H222 AromaticContact CE2-NE2 3.86Å; W218-H222 AromaticContact CG-CD2 3.73Å; W218-H222 HydrophobicContact CZ2-CB 4.43Å; W218-H222 AromaticContact NE1-CD2 3Å; W218-H222 PolarHBondContact NE1-CD2 2.93Å; W218-H222 AromaticContact NE1-CE1 3.83Å; W218-H222 AromaticContact NE1-CG 3.8Å; W218-H222 AromaticContact NE1-NE2 2.98Å; W218-H222 PolarHBondContact NE1-NE2 2.93Å; W218-H222 WeakPolarHBondContact O-CB 3.42Å; W218-H222 PolarHBondContact O-CD2 3.35Å; W218-H222 VanDerWaalsContact O-CD2 3.23Å; W218-H222 PolarHBondContact O-N 3.44Å
219K93.3Very high80.7Confident92 Ų92100.6 Ų100.640%0.451%0.506SS..Hα-helixtrans-63.1-37.4176-175.6-174.867.3174.10112.5R215 M216 K217 K223R215-K219 WeakPolarHBondContact O-CB 3.3Å; R215-K219 PolarHBondContact O-N 3.44Å; M216-K219 PolarHBondContact O-N 2.9Å; K217-K219 VanDerWaalsContact C-N 3.28Å; K217-K219 PolarHBondContact O-N 3.33Å; K219-K223 HydrophobicContact CG-CD 3.8Å; K219-K223 WeakPolarHBondContact O-CB 3.19Å; K219-K223 WeakPolarHBondContact O-CG 3.46Å; K219-K223 PolarHBondContact O-N 2.93Å
220K92.3Very high77.9Confident174 Ų174109.3 Ų109.376%0.75754%0.536SS*.Hα-helixtrans-67.8-43.7176.9-175.1-178.4176.6-177.50110.7M216 K217 W218M216-K220 PolarHBondContact O-N 3.25Å; M216-K220 VanDerWaalsContact O-N 3.12Å; K217-K220 WeakPolarHBondContact O-CA 3.16Å; K217-K220 WeakPolarHBondContact O-CB 3.32Å; K217-K220 PolarHBondContact O-N 3.4Å; W218-K220 VanDerWaalsContact C-N 3.33Å; W218-K220 PolarHBondContact O-N 3.43Å
221D87Confident75.4Confident95 Ų95113.7 Ų113.751%0.50857%0.571SS.*Hα-helixtrans-73.1-30.9-176-55.3-17.5000112.2K217 W218K217-D221 WeakPolarHBondContact CG-OD2 3.41Å; K217-D221 PolarHBondContact O-N 2.93Å; W218-D221 PolarHBondContact O-N 3.32Å
222H82.8Confident72.9Confident126 Ų126117.7 Ų117.758%0.58361%0.605SS**THydrogen-bonded Turntrans-101.613.5-176.6-71.5-86.5000115.1W218W218-H222 AromaticContact CD1-CD2 3.21Å; W218-H222 AromaticContact CD1-NE2 3.33Å; W218-H222 VanDerWaalsContact CD1-NE2 3.33Å; W218-H222 AromaticContact CD2-CD2 3.89Å; W218-H222 AromaticContact CE2-CD2 3.48Å; W218-H222 VanDerWaalsContact CE2-CD2 3.48Å; W218-H222 AromaticContact CE2-CG 3.91Å; W218-H222 AromaticContact CE2-NE2 3.86Å; W218-H222 AromaticContact CG-CD2 3.73Å; W218-H222 HydrophobicContact CZ2-CB 4.43Å; W218-H222 AromaticContact NE1-CD2 3Å; W218-H222 PolarHBondContact NE1-CD2 2.93Å; W218-H222 AromaticContact NE1-CE1 3.83Å; W218-H222 AromaticContact NE1-CG 3.8Å; W218-H222 AromaticContact NE1-NE2 2.98Å; W218-H222 PolarHBondContact NE1-NE2 2.93Å; W218-H222 WeakPolarHBondContact O-CB 3.42Å; W218-H222 PolarHBondContact O-CD2 3.35Å; W218-H222 VanDerWaalsContact O-CD2 3.23Å; W218-H222 PolarHBondContact O-N 3.44Å
223K67.6Low70.5Confident141 Ų141119.4 Ų119.461%0.61362%0.624SS**SBendtrans-127101.7174-67.7-176.4176.9-69.30109.8K219K219-K223 HydrophobicContact CG-CD 3.8Å; K219-K223 WeakPolarHBondContact O-CB 3.19Å; K219-K223 WeakPolarHBondContact O-CG 3.46Å; K219-K223 PolarHBondContact O-N 2.93Å
224L57.3Low68Low145 Ų145119.3 Ų119.376%0.75964%0.637SS**  trans100117.8169.6-58.7165.2000116.7N226L224-N226 HydrophobicContact CB-CB 4.31Å; L224-N226 PolarHBondContact O-N 3.48Å
225P55.7Low65.3Low128 Ų128123.4 Ų123.483%0.83167%0.671SS**  trans-71.1103.3130.431.3-26.6000107.7
226N40.2Very low62.6Low131 Ų131124.4 Ų124.470%0.70170%0.699SS**  trans-12379.1159-17324.8000108.4L224 K228L224-N226 HydrophobicContact CB-CB 4.31Å; L224-N226 PolarHBondContact O-N 3.48Å; N226-K228 PolarHBondContact O-N 3.27Å
227T48.6Very low59.8Low130 Ų130129 Ų12980%0.79872%0.72SS**  trans-71.8108.8158.747.40000109
228K47.7Very low57.3Low206 Ų206130 Ų13090%0.89673%0.729SS**  trans-145.887.5137.9-159.886.8176.4-1720107.7N226N226-K228 PolarHBondContact O-N 3.27Å
229G48.9Very low54.7Low74 Ų74133.9 Ų133.976%0.76375%0.751SS**SBendtrans-177.523.1-178.900000115.7
230R40.3Very low51.7Low243 Ų243136.5 Ų136.592%0.91777%0.769SS**  trans-173.998.7151.2-117.1175.2-168.1-124.6-0.2109.2A232R230-A232 PolarHBondContact O-N 3.04Å
231S45.8Very low49.3Very low124 Ų124134.7 Ų134.787%0.86777%0.766SS**  trans-60.1119154.333.10000108.8
232A44.9Very low46.9Very low89 Ų89138.2 Ų138.274%0.73678%0.78SS**  trans-119.6127.814700000105.6R230R230-A232 PolarHBondContact O-N 3.04Å
233P48.3Very low44.9Very low123 Ų123141.8 Ų141.880%0.79979%0.794SS**  trans-73.3144.7-175.230.1-31.9000110.3S235P233-S235 PolarHBondContact O-N 3.24Å
234A45.3Very low43.6Very low99 Ų99142.2 Ų142.282%0.81880%0.803SS**  trans-57.5133.3165.500000110.2
235S41.9Very low42.5Very low125 Ų125142.3 Ų142.387%0.87480%0.804SS**  trans-123.8116.1147.1-77.80000105.9P233P233-S235 PolarHBondContact O-N 3.24Å
236G40.4Very low41.7Very low77 Ų77142.9 Ų142.979%0.79480%0.796SS**  trans-78.1152.6-178.400000112
237H37.8Very low42.1Very low190 Ų190143.8 Ų143.888%0.8881%0.806SS**  trans-148.4121.5142.9-163.968.1000108.2
238L42.1Very low41.8Very low140 Ų140143.2 Ų143.273%0.73380%0.798SS**  trans-96.4151.9-178-157.391.9000108.4
239Q41.2Very low41.5Very low159 Ų159140.4 Ų140.474%0.74379%0.791SS**  trans96.1111.6156.5-48.1-170.918.200118.7
240N30.4Very low41.4Very low147 Ų147143.3 Ų143.379%0.78680%0.795SS**  -166.399.3120.4-141-27.6000108
241I41.7Very low41.6Very low136 Ų136135.9 Ų135.970%0.69779%0.785SS**  32.8114104-57.5-173.9000113.2
242Q36.5Very low41.4Very low170 Ų170141.8 Ų141.879%0.79481%0.806SS**  150.7118.5123.8-133.2160.7-25.800110.4
243K41.3Very low41.2Very low200 Ų200144.5 Ų144.587%0.8781%0.809SS**  trans170.876.4133.3-90.6167.6-172.2-174.40109.7
244D40.1Very low40.8Very low151 Ų151145.6 Ų145.681%0.80781%0.81SS**  trans-70.4130.3135.7-64.6-51.7000106.7
245N33.4Very low40.6Very low147 Ų147148.2 Ų148.279%0.78681%0.809SS**  trans172.9131.2130.8-85.2-9.6000112
246Q39.8Very low40.5Very low140 Ų140149.5 Ų149.565%0.65481%0.806SS**  trans79.982.9149.8-124.173.32400119D248Q246-D248 HydrophobicContact CG-CB 4.36Å; Q246-D248 VanDerWaalsContact CG-OD2 3.23Å; Q246-D248 WeakPolarHBondContact CG-OD2 3.22Å; Q246-D248 PolarHBondContact NE2-OD2 3.24Å
247T47.9Very low40.5Very low150 Ų150154.1 Ų154.192%0.9281%0.806SS**  trans-86.298.913946.50000108
248D41.3Very low40.7Very low118 Ų118151.7 Ų151.763%0.63180%0.802SS**  trans-100.2153.8161.7-97.2-46.8000109.6Q246Q246-D248 HydrophobicContact CG-CB 4.36Å; Q246-D248 VanDerWaalsContact CG-OD2 3.23Å; Q246-D248 WeakPolarHBondContact CG-OD2 3.22Å; Q246-D248 PolarHBondContact NE2-OD2 3.24Å
249I41.9Very low40.6Very low146 Ų146152.5 Ų152.575%0.74981%0.806SS**  trans105.8111.6156.6-44.3-172.5000117.4
250T47.1Very low40.6Very low136 Ų136152 Ų15283%0.83481%0.811SS**  trans81.5136.3150.428.10000119.8
251A44.6Very low41.4Very low87 Ų87152.4 Ų152.472%0.71981%0.813SS**  cis-158.9158.411.900000111.3
252L41.5Very low41.4Very low248 Ų248153.9 Ų153.9100%1.29882%0.824SS**  trans-56.50151.1-75.8160.8000111.3

Retrieved 252 of 252 residues in 1093.7 ms (Link to these results)

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