A0A087Y3R2_POEFO Loading...

Chromosome 1 open reading frame 35

AlphaFold DB , UniProt , Accession A0A087Y3R2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 271 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
1M50Low66.6Low240 Ų240140.4 Ų140.4100%1.18276%0.759SS**  099.60-12987.679.700108.1
2A53.3Low68.2Low91 Ų91133.2 Ų133.275%0.75272%0.719SS**PPolyproline II helixtrans-72.3132.917300000108.2V4A2-V4 PolarHBondContact O-N 3.39Å; A2-V4 VanDerWaalsContact O-N 3.14Å
3P60.6Low69Low123 Ų123129.2 Ų129.280%0.79970%0.697SS**PPolyproline II helixtrans-62.8122-174.424.8-31.9000109.2G5P3-G5 PolarHBondContact O-N 3.31Å
4V57.8Low69.4Low149 Ų149123.7 Ų123.790%0.90367%0.67SS**PPolyproline II helixtrans-49.4124.8176.7-174.10000108.1A2A2-V4 PolarHBondContact O-N 3.39Å; A2-V4 VanDerWaalsContact O-N 3.14Å
5G65.1Low69.6Low51 Ų51127.7 Ų127.753%0.52667%0.672SS.*PPolyproline II helixtrans-48.2150.2-156.100000116.4P3 W7P3-G5 PolarHBondContact O-N 3.31Å; G5-W7 PolarHBondContact O-N 3.14Å
6R72.1Confident69.3Low185 Ų185128.7 Ų128.770%0.69867%0.665SS**SBendtrans-61.2-1.9172.1-66.5176.9177.5-85.9-0.4114L13R6-L13 PolarHBondContact O-N 3.21Å; R6-L13 VanDerWaalsContact O-N 3.08Å
7W74.4Confident69.2Low198 Ų198124.6 Ų124.675%0.7565%0.654SS**EExtended strand (participates in β ladder)trans-113.3110.4-178.2-69.61.1000109G5 D12G5-W7 PolarHBondContact O-N 3.14Å; W7-D12 PolarHBondContact NE1-OD2 3.17Å
8Q76.7Confident68.9Low107 Ų107125.8 Ų125.850%0.565%0.653SS.*EExtended strand (participates in β ladder)trans-115.9126.8176.7-168.3-176.913.300108G10 K11 L13Q8-G10 VanDerWaalsContact C-N 3.31Å; Q8-G10 PolarHBondContact O-N 3Å; Q8-K11 PolarHBondContact N-O 2.94Å; Q8-K11 PolarHBondContact O-N 3.28Å; Q8-L13 HydrophobicContact CB-CD1 3.64Å; Q8-L13 HydrophobicContact CB-CG 4.07Å
9K72Confident68.4Low198 Ų198127.2 Ų127.286%0.86166%0.662SS**THydrogen-bonded Turntrans53.542.8178.2-61172.7179.9177.70113.6K11K9-K11 PolarHBondContact O-N 2.96Å; K9-K11 VanDerWaalsContact O-N 3.17Å
10G77.2Confident68Low83 Ų83129.5 Ų129.586%0.85667%0.666SS**THydrogen-bonded Turntrans65.317.2-179.600000114.2Q8Q8-G10 VanDerWaalsContact C-N 3.31Å; Q8-G10 PolarHBondContact O-N 3Å
11K73.9Confident67.5Low119 Ų119132.3 Ų132.352%0.51767%0.674SS.*EExtended strand (participates in β ladder)trans-126.1132.5178.4-145.376.2174.1-175.40109.3Q8 K9 L13 Y16Q8-K11 PolarHBondContact N-O 2.94Å; Q8-K11 PolarHBondContact O-N 3.28Å; K9-K11 PolarHBondContact O-N 2.96Å; K9-K11 VanDerWaalsContact O-N 3.17Å; K11-L13 PolarHBondContact O-N 3.45Å; K11-Y16 HydrophobicContact CG-CE2 3.92Å
12D85.1Confident67.8Low54 Ų54126.5 Ų126.529%0.28965%0.652SS.*EExtended strand (participates in β ladder)trans-75.1120.3173.8-165.1-33.2000109.3W7 T14 W15W7-D12 PolarHBondContact NE1-OD2 3.17Å; D12-T14 VanDerWaalsContact C-N 3.26Å; D12-T14 PolarHBondContact O-N 3.08Å; D12-T14 WeakPolarHBondContact OD1-CB 3.48Å; D12-T14 WeakPolarHBondContact OD1-CG2 3.32Å; D12-T14 PolarHBondContact OD1-N 3.25Å; D12-T14 PolarHBondContact OD1-OG1 3.4Å; D12-T14 PolarHBondContact OD2-OG1 2.63Å; D12-W15 VanDerWaalsContact O-CB 3.31Å; D12-W15 WeakPolarHBondContact O-CB 3.31Å; D12-W15 PolarHBondContact O-N 3.13Å
13L79Confident67.7Low82 Ų82125.2 Ų125.243%0.42965%0.647SS.*G310 helixtrans-68.7-26.7179-78.1158.7000112R6 Q8 K11 W15 Y16R6-L13 PolarHBondContact O-N 3.21Å; R6-L13 VanDerWaalsContact O-N 3.08Å; Q8-L13 HydrophobicContact CB-CD1 3.64Å; Q8-L13 HydrophobicContact CB-CG 4.07Å; K11-L13 PolarHBondContact O-N 3.45Å; L13-W15 PolarHBondContact O-N 3.29Å; L13-Y16 PolarHBondContact O-N 2.85Å; L13-Y16 VanDerWaalsContact O-N 3.13Å
14T74.4Confident67.4Low52 Ų52129 Ų12932%0.31965%0.651SS.*G310 helixtrans-66.1-25178.666.20000112.5D12 Y16 A17 K18D12-T14 VanDerWaalsContact C-N 3.26Å; D12-T14 PolarHBondContact O-N 3.08Å; D12-T14 WeakPolarHBondContact OD1-CB 3.48Å; D12-T14 WeakPolarHBondContact OD1-CG2 3.32Å; D12-T14 PolarHBondContact OD1-N 3.25Å; D12-T14 PolarHBondContact OD1-OG1 3.4Å; D12-T14 PolarHBondContact OD2-OG1 2.63Å; T14-Y16 PolarHBondContact O-N 3.41Å; T14-A17 PolarHBondContact O-N 3.39Å; T14-A17 VanDerWaalsContact O-N 3.13Å; T14-K18 PolarHBondContact O-N 3.41Å
15W72.3Confident67.3Low184 Ų184127.1 Ų127.170%0.69764%0.642SS**G310 helixtrans-58.7-34.8173.3-173.9-97.9000112.3D12 L13D12-W15 VanDerWaalsContact O-CB 3.31Å; D12-W15 WeakPolarHBondContact O-CB 3.31Å; D12-W15 PolarHBondContact O-N 3.13Å; L13-W15 PolarHBondContact O-N 3.29Å
16Y65.1Low66.7Low143 Ų143130.6 Ų130.656%0.56165%0.648SS**G310 helixtrans-86.6-10.7179.4-65-74000114K11 L13 T14K11-Y16 HydrophobicContact CG-CE2 3.92Å; L13-Y16 PolarHBondContact O-N 2.85Å; L13-Y16 VanDerWaalsContact O-N 3.13Å; T14-Y16 PolarHBondContact O-N 3.41Å
17A67.5Low66.2Low59 Ų59124.2 Ų124.249%0.48863%0.632SS.*THydrogen-bonded Turntrans-97.2-17.7-179.200000113.3T14 D19 K20T14-A17 PolarHBondContact O-N 3.39Å; T14-A17 VanDerWaalsContact O-N 3.13Å; A17-D19 PolarHBondContact O-N 3.24Å; A17-K20 PolarHBondContact O-N 3.3Å
18K63.1Low65.9Low146 Ų146123 Ų12364%0.63563%0.632SS**THydrogen-bonded Turntrans-64.7-26.4-171.3-147.5150.2178.7172.60113.9T14T14-K18 PolarHBondContact O-N 3.41Å
19D59.9Low65.8Low152 Ų152124.7 Ų124.781%0.81364%0.64SS**THydrogen-bonded Turntrans-100.1-3.6-175.9-56.5-21.2000113.4A17A17-D19 PolarHBondContact O-N 3.24Å
20K61.2Low66Low173 Ų173119.1 Ų119.175%0.75262%0.619SS**THydrogen-bonded Turntrans-101.2-18.1-170.6-68.2-170.7175.1-171.60114.9A17A17-K20 PolarHBondContact O-N 3.3Å
21K57.8Low65.6Low189 Ų189121 Ų12182%0.82261%0.606SS**SBendtrans-143.8-1.3-170.1-62.9-170.7179.7-175.80117.2
22T55.4Low65.6Low119 Ų119121.3 Ų121.373%0.7361%0.612SS**SBendtrans-140.954.2-173.557.50000113.4
23G52Low65.4Low63 Ų63121.5 Ų121.565%0.64962%0.622SS**  trans179.379.3173.800000110.5P25G23-P25 VanDerWaalsContact O-CD 3.3Å; G23-P25 WeakPolarHBondContact O-CD 3.41Å; G23-P25 VanDerWaalsContact O-N 3.13Å
24K54.3Low65.5Low203 Ų203120.7 Ų120.788%0.88363%0.626SS**  trans-53.1117.6150.4-130.2-179.1-179.7-166.30104L26K24-L26 PolarHBondContact O-N 3.13Å; K24-L26 VanDerWaalsContact O-N 3.09Å
25P54.3Low65.9Low110 Ų110122 Ų12271%0.71463%0.634SS**  trans-55125.3163.626.5-31.2000104.1G23 S27G23-P25 VanDerWaalsContact O-CD 3.3Å; G23-P25 WeakPolarHBondContact O-CD 3.41Å; G23-P25 VanDerWaalsContact O-N 3.13Å; P25-S27 PolarHBondContact O-N 3.42Å
26L53.7Low66.7Low124 Ų124120.1 Ų120.165%0.64963%0.631SS**  trans-42.8123.5162.9-70.4160.5000105.1K24 K28 D30K24-L26 PolarHBondContact O-N 3.13Å; K24-L26 VanDerWaalsContact O-N 3.09Å; L26-K28 PolarHBondContact O-N 3.06Å; L26-D30 HydrophobicContact CB-CB 3.96Å; L26-D30 HydrophobicContact CD2-CB 4.42Å
27S61.7Low67.6Low50 Ų50116 Ų11635%0.3563%0.626SS.*  trans-52.8148.2-172.4-177.80000107P25 E29 D30 E31P25-S27 PolarHBondContact O-N 3.42Å; S27-E29 CarbonylContact O-C 3.56Å; S27-E29 PolarHBondContact O-N 3.3Å; S27-E29 PolarHBondContact OG-OE2 2.91Å; S27-D30 PolarHBondContact N-OD2 3.08Å; S27-D30 WeakPolarHBondContact O-CA 3.45Å; S27-D30 WeakPolarHBondContact O-CB 3.36Å; S27-D30 PolarHBondContact O-N 3.2Å; S27-E31 PolarHBondContact O-N 2.87Å
28K68.5Low68.4Low174 Ų174115.8 Ų115.876%0.75763%0.625SS**Hα-helixtrans-49.7-27.1176.4-68.5175.3-179.8172.80111.9L26 L32L26-K28 PolarHBondContact O-N 3.06Å; K28-L32 VanDerWaalsContact O-CG 3.29Å; K28-L32 WeakPolarHBondContact O-CG 3.36Å; K28-L32 PolarHBondContact O-N 3.18Å; K28-L32 VanDerWaalsContact O-N 3.09Å
29E72.8Confident69.5Low142 Ų142114.5 Ų114.566%0.66462%0.621SS**Hα-helixtrans-63.1-41.1172.4-65155.2167.300113.6S27 E31 L32 A33S27-E29 CarbonylContact O-C 3.56Å; S27-E29 PolarHBondContact O-N 3.3Å; S27-E29 PolarHBondContact OG-OE2 2.91Å; E29-E31 VanDerWaalsContact C-N 3.35Å; E29-L32 PolarHBondContact O-N 3.25Å; E29-A33 VanDerWaalsContact O-CB 3.3Å; E29-A33 WeakPolarHBondContact O-CB 3.47Å; E29-A33 PolarHBondContact O-N 3.09Å
30D76.2Confident70.7Confident81 Ų81112.8 Ų112.843%0.43361%0.608SS.*Hα-helixtrans-67.3-37.6177.1-61.7-32.9000111L26 S27 A33 A34L26-D30 HydrophobicContact CB-CB 3.96Å; L26-D30 HydrophobicContact CD2-CB 4.42Å; S27-D30 PolarHBondContact N-OD2 3.08Å; S27-D30 WeakPolarHBondContact O-CA 3.45Å; S27-D30 WeakPolarHBondContact O-CB 3.36Å; S27-D30 PolarHBondContact O-N 3.2Å; D30-A33 PolarHBondContact O-N 3.26Å; D30-A34 WeakPolarHBondContact O-CB 3.4Å; D30-A34 PolarHBondContact O-N 2.85Å
31E70.4Confident71.6Confident122 Ų122108.7 Ų108.757%0.5759%0.592SS**Hα-helixtrans-65.6-42.8174.4-63.7-175.8167.700111.3S27 E29 A34 V35S27-E31 PolarHBondContact O-N 2.87Å; E29-E31 VanDerWaalsContact C-N 3.35Å; E31-A34 PolarHBondContact O-N 2.87Å; E31-V35 WeakPolarHBondContact O-CG2 3.3Å; E31-V35 PolarHBondContact O-N 3.36Å
32L72.6Confident72.9Confident125 Ų125102.6 Ų102.665%0.65458%0.576SS**Hα-helixtrans-67.7-38.5176-70.3172.8000112.3K28 E29 V35 K36K28-L32 VanDerWaalsContact O-CG 3.29Å; K28-L32 WeakPolarHBondContact O-CG 3.36Å; K28-L32 PolarHBondContact O-N 3.18Å; K28-L32 VanDerWaalsContact O-N 3.09Å; E29-L32 PolarHBondContact O-N 3.25Å; L32-V35 PolarHBondContact O-N 3.33Å; L32-K36 WeakPolarHBondContact O-CB 3.01Å; L32-K36 PolarHBondContact O-N 3.16Å
33A81.9Confident74.4Confident59 Ų59103 Ų10349%0.48857%0.573SS.*Hα-helixtrans-65.2-40.4176.800000111.7E29 D30 K36 A37E29-A33 VanDerWaalsContact O-CB 3.3Å; E29-A33 WeakPolarHBondContact O-CB 3.47Å; E29-A33 PolarHBondContact O-N 3.09Å; D30-A33 PolarHBondContact O-N 3.26Å; A33-K36 PolarHBondContact O-N 2.85Å; A33-A37 WeakPolarHBondContact O-CB 3.29Å; A33-A37 PolarHBondContact O-N 3.21Å
34A81Confident75.8Confident64 Ų64104 Ų10453%0.52956%0.562SS.*Hα-helixtrans-63.6-41.2176.300000112.3D30 E31 A38D30-A34 WeakPolarHBondContact O-CB 3.4Å; D30-A34 PolarHBondContact O-N 2.85Å; E31-A34 PolarHBondContact O-N 2.87Å; A34-A38 WeakPolarHBondContact O-CB 3.33Å; A34-A38 PolarHBondContact O-N 3.01Å; A34-A38 VanDerWaalsContact O-N 3.09Å
35V81.9Confident77.1Confident79 Ų7996.5 Ų96.548%0.47954%0.538SS..Hα-helixtrans-64.9-46.6175.7173.30000110.8E31 L32 A37 A38 E39E31-V35 WeakPolarHBondContact O-CG2 3.3Å; E31-V35 PolarHBondContact O-N 3.36Å; L32-V35 PolarHBondContact O-N 3.33Å; V35-A37 VanDerWaalsContact C-N 3.34Å; V35-A37 PolarHBondContact O-N 3.07Å; V35-A38 PolarHBondContact O-N 2.78Å; V35-E39 HydrophobicContact CG1-CG 4.46Å; V35-E39 WeakPolarHBondContact O-CG 3.43Å; V35-E39 PolarHBondContact O-N 3.09Å
36K89.1Confident78.3Confident146 Ų14695.3 Ų95.364%0.63554%0.538SS*.Hα-helixtrans-62.3-40179.6-169.4174.7-178.6178.90112.5L32 A33 E39 E40L32-K36 WeakPolarHBondContact O-CB 3.01Å; L32-K36 PolarHBondContact O-N 3.16Å; A33-K36 PolarHBondContact O-N 2.85Å; K36-E39 PolarHBondContact O-N 3.43Å; K36-E40 WeakPolarHBondContact O-CB 3.41Å; K36-E40 PolarHBondContact O-N 2.95Å
37A84.9Confident79.9Confident56 Ų5696 Ų9646%0.46354%0.541SS..Hα-helixtrans-63.9-40.817500000112A33 V35 E39 E40 E41A33-A37 WeakPolarHBondContact O-CB 3.29Å; A33-A37 PolarHBondContact O-N 3.21Å; V35-A37 VanDerWaalsContact C-N 3.34Å; V35-A37 PolarHBondContact O-N 3.07Å; A37-E39 VanDerWaalsContact C-N 3.35Å; A37-E40 PolarHBondContact O-N 3.3Å; A37-E41 WeakPolarHBondContact O-CB 3.46Å; A37-E41 PolarHBondContact O-N 3.32Å
38A82.8Confident80.8Confident55 Ų5596.4 Ų96.446%0.45555%0.554SS.*Hα-helixtrans-66.5-36.2176.200000112.5A34 V35 A42A34-A38 WeakPolarHBondContact O-CB 3.33Å; A34-A38 PolarHBondContact O-N 3.01Å; A34-A38 VanDerWaalsContact O-N 3.09Å; V35-A38 PolarHBondContact O-N 2.78Å; A38-A42 WeakPolarHBondContact O-CB 3.46Å; A38-A42 PolarHBondContact O-N 3.07Å
39E87.5Confident81.1Confident119 Ų11993.4 Ų93.456%0.55654%0.542SS*.Hα-helixtrans-68-42.5175.1-72.5175.4177.600112.1V35 K36 A37 A42 L43V35-E39 HydrophobicContact CG1-CG 4.46Å; V35-E39 WeakPolarHBondContact O-CG 3.43Å; V35-E39 PolarHBondContact O-N 3.09Å; K36-E39 PolarHBondContact O-N 3.43Å; A37-E39 VanDerWaalsContact C-N 3.35Å; E39-A42 PolarHBondContact O-N 3.49Å; E39-L43 PolarHBondContact O-N 3.47Å
40E84.1Confident81.1Confident115 Ų11596.1 Ų96.154%0.53755%0.551SS.*Hα-helixtrans-63.2-43.5175.8-173.6178.3170.400111.4K36 A37 A42 L43 M44K36-E40 WeakPolarHBondContact O-CB 3.41Å; K36-E40 PolarHBondContact O-N 2.95Å; A37-E40 PolarHBondContact O-N 3.3Å; E40-A42 VanDerWaalsContact C-N 3.31Å; E40-A42 PolarHBondContact O-N 3.49Å; E40-L43 PolarHBondContact O-N 3.14Å; E40-M44 HydrophobicContact CG-CE 4.37Å; E40-M44 WeakPolarHBondContact O-CG 3.09Å; E40-M44 PolarHBondContact O-N 3.28Å
41E81.6Confident80.4Confident88 Ų8895.1 Ų95.141%0.41155%0.548SS..Hα-helixtrans-60.3-40.7173.8-174.4-179.3-176.300111.7A37 M44 A45 V51A37-E41 WeakPolarHBondContact O-CB 3.46Å; A37-E41 PolarHBondContact O-N 3.32Å; E41-M44 PolarHBondContact O-N 2.86Å; E41-A45 WeakPolarHBondContact O-CB 3.49Å; E41-A45 PolarHBondContact O-N 3.39Å; E41-V51 HydrophobicContact CG-CG1 4.22Å; E41-V51 HydrophobicContact CG-CG2 4.05Å; E41-V51 WeakPolarHBondContact OE1-CG1 3.48Å
42A83.6Confident80.1Confident60 Ų6096 Ų9650%0.49656%0.555SS.*Hα-helixtrans-65.5-38.5176.600000112.6A38 E39 E40 A45 A46A38-A42 WeakPolarHBondContact O-CB 3.46Å; A38-A42 PolarHBondContact O-N 3.07Å; E39-A42 PolarHBondContact O-N 3.49Å; E40-A42 VanDerWaalsContact C-N 3.31Å; E40-A42 PolarHBondContact O-N 3.49Å; A42-A45 WeakPolarHBondContact O-CB 3.36Å; A42-A45 PolarHBondContact O-N 2.75Å; A42-A46 WeakPolarHBondContact O-CB 3.45Å; A42-A46 PolarHBondContact O-N 3.19Å
43L86.8Confident79.6Confident128 Ų12898 Ų9867%0.6756%0.559SS**Hα-helixtrans-67.7-41.8173.9-79.7175.9000112.1E39 E40 A45 A46 L47E39-L43 PolarHBondContact O-N 3.47Å; E40-L43 PolarHBondContact O-N 3.14Å; L43-A45 VanDerWaalsContact C-N 3.3Å; L43-A45 PolarHBondContact O-N 3.09Å; L43-A46 PolarHBondContact O-N 2.85Å; L43-L47 WeakPolarHBondContact O-CB 3.43Å; L43-L47 PolarHBondContact O-N 2.99Å
44M82.9Confident78.7Confident85 Ų85106 Ų10642%0.41958%0.576SS.*Hα-helixtrans-60.1-42.1173.2-74.4-165.5-71.900111.3E40 E41 L47 G48 H49E40-M44 HydrophobicContact CG-CE 4.37Å; E40-M44 WeakPolarHBondContact O-CG 3.09Å; E40-M44 PolarHBondContact O-N 3.28Å; E41-M44 PolarHBondContact O-N 2.86Å; M44-L47 PolarHBondContact O-N 3.22Å; M44-G48 PolarHBondContact O-N 2.85Å; M44-H49 HydrophobicContact CB-CB 4.19Å; M44-H49 VanDerWaalsContact O-CB 3.29Å; M44-H49 WeakPolarHBondContact O-CB 3.33Å; M44-H49 PolarHBondContact O-CD2 2.96Å; M44-H49 PolarHBondContact O-N 2.9Å
45A80.4Confident77.7Confident44 Ų44109 Ų10936%0.36458%0.579SS.*Hα-helixtrans-61.8-43.7175.600000112.5E41 A42 L43 L47 G48 V51E41-A45 WeakPolarHBondContact O-CB 3.49Å; E41-A45 PolarHBondContact O-N 3.39Å; A42-A45 WeakPolarHBondContact O-CB 3.36Å; A42-A45 PolarHBondContact O-N 2.75Å; L43-A45 VanDerWaalsContact C-N 3.3Å; L43-A45 PolarHBondContact O-N 3.09Å; A45-L47 VanDerWaalsContact C-N 3.31Å; A45-L47 PolarHBondContact O-N 3.47Å; A45-G48 WeakPolarHBondContact O-CA 3.2Å; A45-G48 PolarHBondContact O-N 3.48Å; A45-V51 HydrophobicContact CB-CG2 3.44Å; A45-V51 VanDerWaalsContact CB-CG2 3.44Å
46A80.4Confident76.3Confident86 Ų86111.4 Ų111.471%0.71160%0.597SS**Hα-helixtrans-66.2-34.6179.100000112.2A42 L43 G48A42-A46 WeakPolarHBondContact O-CB 3.45Å; A42-A46 PolarHBondContact O-N 3.19Å; L43-A46 PolarHBondContact O-N 2.85Å; A46-G48 PolarHBondContact O-N 3.25Å
47L87.3Confident74.4Confident137 Ų137109.3 Ų109.372%0.71760%0.596SS**THydrogen-bonded Turntrans-72.7-3172.5-166.561.4000112.7L43 M44 A45L43-L47 WeakPolarHBondContact O-CB 3.43Å; L43-L47 PolarHBondContact O-N 2.99Å; M44-L47 PolarHBondContact O-N 3.22Å; A45-L47 VanDerWaalsContact C-N 3.31Å; A45-L47 PolarHBondContact O-N 3.47Å
48G80.6Confident73Confident60 Ų60109.9 Ų109.962%0.61961%0.607SS**THydrogen-bonded Turntrans89.29.5176.400000114.4M44 A45 A46 K50M44-G48 PolarHBondContact O-N 2.85Å; A45-G48 WeakPolarHBondContact O-CA 3.2Å; A45-G48 PolarHBondContact O-N 3.48Å; A46-G48 PolarHBondContact O-N 3.25Å; G48-K50 PolarHBondContact O-N 3.15Å
49H75.4Confident72Confident110 Ų110113.5 Ų113.551%0.50962%0.618SS.*  trans-68.5132.6169.3-63.4-76.8000109.6M44 V51M44-H49 HydrophobicContact CB-CB 4.19Å; M44-H49 VanDerWaalsContact O-CB 3.29Å; M44-H49 WeakPolarHBondContact O-CB 3.33Å; M44-H49 PolarHBondContact O-CD2 2.96Å; M44-H49 PolarHBondContact O-N 2.9Å; H49-V51 PolarHBondContact O-N 3.32Å
50K71.4Confident70.6Confident199 Ų199111 Ų11187%0.86561%0.612SS**  trans-66.2103.5-178.1-62.9175.1-175.2174.20109.3G48 I52G48-K50 PolarHBondContact O-N 3.15Å; K50-I52 PolarHBondContact O-N 3.14Å
51V62.3Low69.8Low61 Ų61114.4 Ų114.437%0.3763%0.625SS.*  trans-67.499.3167.6174.90000108.4E41 A45 H49 K53E41-V51 HydrophobicContact CG-CG1 4.22Å; E41-V51 HydrophobicContact CG-CG2 4.05Å; E41-V51 WeakPolarHBondContact OE1-CG1 3.48Å; A45-V51 HydrophobicContact CB-CG2 3.44Å; A45-V51 VanDerWaalsContact CB-CG2 3.44Å; H49-V51 PolarHBondContact O-N 3.32Å; V51-K53 PolarHBondContact O-N 3Å
52I63.9Low68.9Low139 Ų139117.4 Ų117.471%0.71364%0.639SS**  trans-67.7105.4171.2-58.6169.8000105.6K50 R54K50-I52 PolarHBondContact O-N 3.14Å; I52-R54 WeakPolarHBondContact O-CG 3.2Å; I52-R54 PolarHBondContact O-N 3.4Å
53K61.4Low68.4Low168 Ų168117.5 Ų117.573%0.7363%0.631SS**  trans-54.7102.2173.1-68.1-179.8179.2179.40108V51 Q55V51-K53 PolarHBondContact O-N 3Å; K53-Q55 PolarHBondContact O-N 3.11Å
54R64.1Low67.8Low226 Ų226117.1 Ų117.185%0.85363%0.629SS**  trans-70.880175.4-58-171.978.291.6-0.5107.8I52I52-R54 WeakPolarHBondContact O-CG 3.2Å; I52-R54 PolarHBondContact O-N 3.4Å
55Q58.8Low67.3Low128 Ų128116.9 Ų116.960%0.59863%0.632SS**  trans-59.5146.6159.6-65.7-62.5-54.300107.1K53 T57K53-Q55 PolarHBondContact O-N 3.11Å; Q55-T57 HydrophobicContact CB-CG2 4.3Å; Q55-T57 PolarHBondContact O-N 3.4Å; Q55-T57 PolarHBondContact O-OG1 2.79Å
56P53.4Low66.9Low129 Ų129120.5 Ų120.584%0.83864%0.641SS**  trans-71.560.8166.832.3-34.4000109.2G58P56-G58 PolarHBondContact O-N 2.91Å
57T49.4Very low66.2Low102 Ų102120.7 Ų120.763%0.62663%0.634SS**  trans-70.1106.9163.632.80000105.7Q55 L59Q55-T57 HydrophobicContact CB-CG2 4.3Å; Q55-T57 PolarHBondContact O-N 3.4Å; Q55-T57 PolarHBondContact O-OG1 2.79Å; T57-L59 VanDerWaalsContact C-N 3.32Å; T57-L59 PolarHBondContact O-N 2.87Å
58G54.6Low65.2Low68 Ų68117.9 Ų117.970%0.70162%0.624SS**  trans-56.3101.3169.500000108P56 T60P56-G58 PolarHBondContact O-N 2.91Å; G58-T60 PolarHBondContact O-N 3.21Å; G58-T60 VanDerWaalsContact O-N 3.16Å
59L61.8Low64.5Low131 Ų131124.3 Ų124.369%0.68663%0.63SS**  trans-60.7119173.9-66.1170.4000106.5T57 D63T57-L59 VanDerWaalsContact C-N 3.32Å; T57-L59 PolarHBondContact O-N 2.87Å; L59-D63 HydrophobicContact CB-CB 4.4Å; L59-D63 HydrophobicContact CD2-CB 4.26Å
60T58Low63.4Low67 Ų67127 Ų12741%0.41164%0.635SS.*  trans-72.2158.9179.262.80000108.7G58 E62 D63 L64G58-T60 PolarHBondContact O-N 3.21Å; G58-T60 VanDerWaalsContact O-N 3.16Å; T60-E62 PolarHBondContact O-N 2.81Å; T60-E62 VanDerWaalsContact O-N 3.09Å; T60-D63 PolarHBondContact N-OD2 2.91Å; T60-D63 WeakPolarHBondContact O-CB 3.45Å; T60-D63 PolarHBondContact O-N 2.89Å; T60-D63 VanDerWaalsContact OG1-CG 3.3Å; T60-D63 PolarHBondContact OG1-OD2 3.39Å; T60-L64 PolarHBondContact O-N 3.47Å
61K66.8Low62.3Low187 Ų187125.3 Ų125.381%0.81363%0.631SS**Hα-helixtrans-58.2-25.6178.7-65.3178.8-179.4178.70111.9V65K61-V65 WeakPolarHBondContact O-CG2 3.49Å; K61-V65 PolarHBondContact O-N 2.77Å
62E64.3Low61.4Low150 Ų150131.2 Ų131.270%0.70165%0.654SS**Hα-helixtrans-69.1-42.2175.5-69.6148.5-157.600111.6T60 L64 V65 E66T60-E62 PolarHBondContact O-N 2.81Å; T60-E62 VanDerWaalsContact O-N 3.09Å; E62-L64 VanDerWaalsContact C-N 3.28Å; E62-L64 PolarHBondContact O-N 2.92Å; E62-V65 PolarHBondContact O-N 3.04Å; E62-E66 WeakPolarHBondContact O-CB 3.45Å; E62-E66 PolarHBondContact O-N 3.48Å
63D72.3Confident60.8Low63 Ų63128.5 Ų128.534%0.33765%0.653SS.*Hα-helixtrans-62-35.6176.2-60.5-46.8000112.1L59 T60 E66 V67L59-D63 HydrophobicContact CB-CB 4.4Å; L59-D63 HydrophobicContact CD2-CB 4.26Å; T60-D63 PolarHBondContact N-OD2 2.91Å; T60-D63 WeakPolarHBondContact O-CB 3.45Å; T60-D63 PolarHBondContact O-N 2.89Å; T60-D63 VanDerWaalsContact OG1-CG 3.3Å; T60-D63 PolarHBondContact OG1-OD2 3.39Å; D63-E66 PolarHBondContact O-N 3.02Å; D63-V67 WeakPolarHBondContact O-CG2 3.44Å; D63-V67 PolarHBondContact O-N 3.47Å
64L74Confident59.9Low120 Ų120126.9 Ų126.963%0.62865%0.652SS**Hα-helixtrans-70.8-37.8177.6-165.367.4000111.8T60 E62 V67 C68T60-L64 PolarHBondContact O-N 3.47Å; E62-L64 VanDerWaalsContact C-N 3.28Å; E62-L64 PolarHBondContact O-N 2.92Å; L64-V67 PolarHBondContact O-N 3.36Å; L64-C68 PolarHBondContact O-N 3.12Å; L64-C68 VanDerWaalsContact O-N 3.14Å; L64-C68 PolarHBondContact O-SG 3.49Å
65V73.5Confident59.4Low80 Ų80120 Ų12049%0.48565%0.651SS.*Hα-helixtrans-70-35.81751720000111.1K61 E62 C68 R69K61-V65 WeakPolarHBondContact O-CG2 3.49Å; K61-V65 PolarHBondContact O-N 2.77Å; E62-V65 PolarHBondContact O-N 3.04Å; V65-C68 PolarHBondContact O-N 2.89Å; V65-R69 WeakPolarHBondContact O-CB 3.03Å; V65-R69 PolarHBondContact O-N 2.96Å
66E70.4Confident58.4Low120 Ų120121 Ų12156%0.56166%0.656SS**Hα-helixtrans-68.9-34176.9-167165.4-170.400112E62 D63 R70E62-E66 WeakPolarHBondContact O-CB 3.45Å; E62-E66 PolarHBondContact O-N 3.48Å; D63-E66 PolarHBondContact O-N 3.02Å; E66-R70 WeakPolarHBondContact O-CB 3.48Å; E66-R70 PolarHBondContact O-N 3.35Å
67V65.8Low58Low90 Ų90120.7 Ų120.755%0.54564%0.643SS.*Hα-helixtrans-67.3-44.8171.1172.20000111.5D63 L64 R69 R70 E71D63-V67 WeakPolarHBondContact O-CG2 3.44Å; D63-V67 PolarHBondContact O-N 3.47Å; L64-V67 PolarHBondContact O-N 3.36Å; V67-R69 VanDerWaalsContact C-N 3.35Å; V67-R69 PolarHBondContact O-N 3.02Å; V67-R70 PolarHBondContact O-N 3.49Å; V67-E71 PolarHBondContact O-N 3.33Å
68C66.3Low57.6Low77 Ų77124.6 Ų124.652%0.5265%0.647SS.*Hα-helixtrans-64.4-37.7175.8-69.20000112.5L64 V65L64-C68 PolarHBondContact O-N 3.12Å; L64-C68 VanDerWaalsContact O-N 3.14Å; L64-C68 PolarHBondContact O-SG 3.49Å; V65-C68 PolarHBondContact O-N 2.89Å
69R67.6Low57.1Low195 Ų195126.1 Ų126.174%0.73665%0.646SS**Hα-helixtrans-70.9-29.3173.8-86.3-176.3165.4168.3-3.4113.3V65 V67V65-R69 WeakPolarHBondContact O-CB 3.03Å; V65-R69 PolarHBondContact O-N 2.96Å; V67-R69 VanDerWaalsContact C-N 3.35Å; V67-R69 PolarHBondContact O-N 3.02Å
70R51.5Low56.5Low166 Ų166127.2 Ų127.263%0.62666%0.659SS**Hα-helixtrans-79.9-34.4179-179.7174.7-109.1160.8-0.1112.4E66 V67 E72 A73 D74E66-R70 WeakPolarHBondContact O-CB 3.48Å; E66-R70 PolarHBondContact O-N 3.35Å; V67-R70 PolarHBondContact O-N 3.49Å; R70-E72 VanDerWaalsContact C-N 3.26Å; R70-E72 PolarHBondContact O-N 3.46Å; R70-A73 PolarHBondContact O-N 3.08Å; R70-D74 PolarHBondContact O-N 3.08Å
71E47.2Very low56.5Low165 Ų165130.1 Ų130.177%0.77167%0.672SS**Hα-helixtrans-66.1-28.7177.4-165.7177.6-164.800112.3V67V67-E71 PolarHBondContact O-N 3.33Å
72E45Very low56Low184 Ų184132.4 Ų132.486%0.8668%0.675SS**THydrogen-bonded Turntrans-81.3-11.3174.7-65.5-162.917400114.4R70R70-E72 VanDerWaalsContact C-N 3.26Å; R70-E72 PolarHBondContact O-N 3.46Å
73A51.2Low55.5Low82 Ų82133 Ų13368%0.67868%0.682SS**THydrogen-bonded Turntrans-113.2-5.1-169.900000115.6R70R70-A73 PolarHBondContact O-N 3.08Å
74D42.4Very low54.5Low134 Ų134135.2 Ų135.272%0.71770%0.702SS**  trans-130.746.9-170.6-131.9-20.6000113R70R70-D74 PolarHBondContact O-N 3.08Å
75G52.2Low54.1Low81 Ų81132.7 Ų132.784%0.83570%0.704SS**SBendtrans-105.29.8173.500000115
76E39Very low53.2Low149 Ų149137.4 Ų137.470%0.69673%0.726SS**SBendtrans-149.5109.8-175.2-166.7178.1-176.600113.1
77E43.9Very low52.5Low124 Ų124135.1 Ų135.158%0.57973%0.734SS**  trans52.1128137.7-148-161.8154.200120.5
78R42.2Very low51.9Low183 Ų183136.8 Ų136.869%0.69175%0.75SS**  trans82.8114.8162.6-52.8111.6162.1160.19.1118.1
79S42.8Very low51Low100 Ų100138.7 Ų138.770%0.69977%0.765SS**  16699.390.945.10000110.4D81S79-D81 PolarHBondContact O-N 3Å; S79-D81 VanDerWaalsContact O-N 3.16Å
80V50.3Low50.2Low155 Ų155134.7 Ų134.794%0.93977%0.767SS**  trans-64.7101.8149.5-92.70000106.9
81D57.2Low50.2Low128 Ų128134 Ų13468%0.68478%0.78SS**  trans160.199.7147.7-171.732.6000110.5S79S79-D81 PolarHBondContact O-N 3Å; S79-D81 VanDerWaalsContact O-N 3.16Å
82R57.2Low50.5Low234 Ų234129.6 Ų129.688%0.88378%0.78SS**  trans-166.876.7152.9-114.5175.9-90.2177.9-5.8110.3S84R82-S84 PolarHBondContact O-N 3.28Å
83I53.7Low50.9Low164 Ų164125.7 Ų125.784%0.84177%0.772SS**  trans-69.2114.1153.3-59.2160.2000106.3
84S50.1Low51.1Low109 Ų109132.8 Ų132.876%0.76278%0.782SS**  trans-171.8126.7151.1-159.20000110.3R82R82-S84 PolarHBondContact O-N 3.28Å
85G65.9Low51.7Low66 Ų66136 Ų13668%0.6879%0.789SS**  trans-74156.7-174.700000114.7
86L56.2Low52.2Low179 Ų179136.9 Ų136.994%0.93777%0.774SS**  trans-166.6103.1160-88.6127.7000103.7
87G53.8Low53.6Low72 Ų72137.7 Ų137.774%0.74278%0.782SS**  94.692.953.100000109
88S54.2Low54.8Low125 Ų125134.3 Ų134.387%0.87477%0.768SS**  trans-154.3108.7154.8-86.30000111
89S47.4Very low56.4Low118 Ų118128.8 Ų128.883%0.82576%0.757SS**PPolyproline II helixtrans-59.7130.6175.445.40000112.5V91S89-V91 PolarHBondContact O-N 3.29Å
90S49.8Very low58.2Low111 Ų111131 Ų13178%0.77676%0.756SS**PPolyproline II helixtrans-72.7119.9165.863.20000109.9
91V53Low59.4Low150 Ų150131.5 Ų131.591%0.90975%0.746SS**PPolyproline II helixtrans-96.5118.5164.31020000107.4S89S89-V91 PolarHBondContact O-N 3.29Å
92G53.8Low60.4Low74 Ų74129.1 Ų129.176%0.76373%0.731SS**SBendtrans115.71.215500000120.3R94G92-R94 PolarHBondContact O-N 3.28Å
93S51.7Low61.6Low101 Ų101124.2 Ų124.271%0.70672%0.716SS**  trans-94.397.8175.1-55.30000110.3K95S93-K95 PolarHBondContact O-N 3.39Å; S93-K95 VanDerWaalsContact O-N 3.07Å
94R57.2Low62.8Low232 Ų232121.7 Ų121.788%0.87570%0.7SS**  trans-44.5121.7162.4-73.7-178.8-73.2-141.7-2.9107.5G92 I96G92-R94 PolarHBondContact O-N 3.28Å; R94-I96 VanDerWaalsContact C-N 3.27Å; R94-I96 PolarHBondContact O-N 2.96Å
95K54.3Low64.4Low200 Ų200117.7 Ų117.787%0.8767%0.674SS**  trans-66.787.1-176.9-62.2175.5-173.6175.80108.5S93 L97S93-K95 PolarHBondContact O-N 3.39Å; S93-K95 VanDerWaalsContact O-N 3.07Å; K95-L97 PolarHBondContact O-N 3.19Å
96I63.6Low65.2Low100 Ų100117.1 Ų117.151%0.51366%0.663SS.*  trans-71.2110168.7-53.2167.7000105.1R94 L98 T114R94-I96 VanDerWaalsContact C-N 3.27Å; R94-I96 PolarHBondContact O-N 2.96Å; I96-L98 HydrophobicContact CG2-CG 4.39Å; I96-L98 PolarHBondContact O-N 3.31Å; I96-T114 HydrophobicContact CG2-CG2 4.1Å
97L68Low66.6Low166 Ų166117.3 Ų117.387%0.86966%0.656SS**  trans-69.386.8175-70.7174.1000108.6K95K95-L97 PolarHBondContact O-N 3.19Å
98L68.9Low68Low53 Ų53120.9 Ų120.928%0.27766%0.655SS.*  trans-69.5129.6175.1-70.4133.8000109.7I96 E102 K103 I112 T114I96-L98 HydrophobicContact CG2-CG 4.39Å; I96-L98 PolarHBondContact O-N 3.31Å; L98-E102 VanDerWaalsContact CA-OE2 3.29Å; L98-E102 WeakPolarHBondContact CA-OE2 3.39Å; L98-E102 HydrophobicContact CB-CB 4.09Å; L98-E102 HydrophobicContact CD2-CB 3.72Å; L98-K103 HydrophobicContact CB-CG 3.83Å; L98-K103 WeakPolarHBondContact O-CE 3.29Å; L98-I112 HydrophobicContact CD2-CD1 3.47Å; L98-I112 VanDerWaalsContact CD2-CD1 3.47Å; L98-I112 HydrophobicContact CD2-CG2 3.87Å; L98-T114 HydrophobicContact CD2-CG2 4.48Å
99S74.7Confident69.2Low67 Ų67118.1 Ų118.147%0.46965%0.646SS.*  trans-62.5157.5171.8178.60000110.6K101 E102 K103S99-K101 PolarHBondContact O-N 3.12Å; S99-K101 VanDerWaalsContact O-N 3.12Å; S99-E102 PolarHBondContact N-OE2 3.37Å; S99-E102 WeakPolarHBondContact O-CA 3.3Å; S99-E102 WeakPolarHBondContact O-CB 3.46Å; S99-E102 PolarHBondContact O-N 3.4Å; S99-K103 PolarHBondContact O-N 3.34Å
100Q80.4Confident70.9Confident146 Ų146117.5 Ų117.568%0.68263%0.633SS**Hα-helixtrans-52.7-38.1-179.4-173.4172.8-1.200112.3K103 E104Q100-K103 PolarHBondContact O-N 3.41Å; Q100-E104 WeakPolarHBondContact O-CG 3.4Å; Q100-E104 PolarHBondContact O-N 3.01Å
101K75.6Confident71.9Confident167 Ų167118.1 Ų118.173%0.72664%0.635SS**Hα-helixtrans-67.3-34.8176.6-63.1178.1-178.8172.60112.9S99 A105S99-K101 PolarHBondContact O-N 3.12Å; S99-K101 VanDerWaalsContact O-N 3.12Å; K101-A105 WeakPolarHBondContact O-CB 3.47Å; K101-A105 PolarHBondContact O-N 3.21Å
102E79.1Confident72.8Confident77 Ų77113.4 Ų113.436%0.3660%0.604SS.*Hα-helixtrans-75-38.5177.1-63.9173170.100110.5L98 S99 E104 A105 A106 I112L98-E102 VanDerWaalsContact CA-OE2 3.29Å; L98-E102 WeakPolarHBondContact CA-OE2 3.39Å; L98-E102 HydrophobicContact CB-CB 4.09Å; L98-E102 HydrophobicContact CD2-CB 3.72Å; S99-E102 PolarHBondContact N-OE2 3.37Å; S99-E102 WeakPolarHBondContact O-CA 3.3Å; S99-E102 WeakPolarHBondContact O-CB 3.46Å; S99-E102 PolarHBondContact O-N 3.4Å; E102-E104 VanDerWaalsContact C-N 3.29Å; E102-E104 PolarHBondContact O-N 3.2Å; E102-A105 WeakPolarHBondContact O-CB 3.36Å; E102-A105 PolarHBondContact O-N 3.06Å; E102-A105 VanDerWaalsContact O-N 3.11Å; E102-A106 PolarHBondContact O-N 3.2Å; E102-I112 HydrophobicContact CB-CD1 4.22Å; E102-I112 HydrophobicContact CB-CG2 4.34Å; E102-I112 HydrophobicContact CG-CG2 4.44Å; E102-I112 WeakPolarHBondContact O-CD1 3.37Å
103K82.4Confident73.5Confident131 Ų131117.3 Ų117.357%0.5760%0.6SS**Hα-helixtrans-59.9-41172.1-68.1176.2177.2170.40111.8L98 S99 Q100 K107L98-K103 HydrophobicContact CB-CG 3.83Å; L98-K103 WeakPolarHBondContact O-CE 3.29Å; S99-K103 PolarHBondContact O-N 3.34Å; Q100-K103 PolarHBondContact O-N 3.41Å; K103-K107 WeakPolarHBondContact O-CB 3.49Å; K103-K107 PolarHBondContact O-N 3.12Å
104E79Confident74.2Confident111 Ų111115 Ų11552%0.51958%0.582SS.*Hα-helixtrans-64.6-42.7172.5-74.3175.7-173.600111.5Q100 E102 A106 K107 M108Q100-E104 WeakPolarHBondContact O-CG 3.4Å; Q100-E104 PolarHBondContact O-N 3.01Å; E102-E104 VanDerWaalsContact C-N 3.29Å; E102-E104 PolarHBondContact O-N 3.2Å; E104-A106 PolarHBondContact O-N 3.39Å; E104-K107 WeakPolarHBondContact O-CB 3.39Å; E104-K107 PolarHBondContact O-N 3.26Å; E104-M108 WeakPolarHBondContact O-CB 3.46Å; E104-M108 WeakPolarHBondContact O-CG 3.4Å; E104-M108 PolarHBondContact O-N 3.49Å
105A83.4Confident74Confident26 Ų26111.4 Ų111.422%0.21558%0.575CS.*Hα-helixtrans-60.9-44.2175.600000112.8K101 E102 K107 M108 G109 L110 I112K101-A105 WeakPolarHBondContact O-CB 3.47Å; K101-A105 PolarHBondContact O-N 3.21Å; E102-A105 WeakPolarHBondContact O-CB 3.36Å; E102-A105 PolarHBondContact O-N 3.06Å; E102-A105 VanDerWaalsContact O-N 3.11Å; A105-K107 VanDerWaalsContact C-N 3.34Å; A105-K107 PolarHBondContact O-N 3.3Å; A105-M108 CarbonylContact O-C 3.41Å; A105-M108 PolarHBondContact O-N 3.23Å; A105-M108 VanDerWaalsContact O-N 3.14Å; A105-G109 PolarHBondContact O-N 3.06Å; A105-G109 VanDerWaalsContact O-N 3.15Å; A105-L110 HydrophobicContact CB-CB 4.12Å; A105-L110 HydrophobicContact CB-CD1 4.3Å; A105-L110 WeakPolarHBondContact O-CB 3.48Å; A105-L110 PolarHBondContact O-N 3.11Å; A105-I112 HydrophobicContact CB-CG1 4.34Å
106A82.4Confident73.8Confident54 Ų54108.8 Ų108.845%0.44657%0.565SS.*Hα-helixtrans-60.8-43.9173.800000111.3E102 E104 M108 G109 I112E102-A106 PolarHBondContact O-N 3.2Å; E104-A106 PolarHBondContact O-N 3.39Å; A106-M108 PolarHBondContact O-N 2.97Å; A106-G109 PolarHBondContact O-N 3.41Å; A106-I112 HydrophobicContact CB-CD1 3.38Å; A106-I112 HydrophobicContact CB-CG1 4.29Å
107K85.4Confident73Confident183 Ų183113.8 Ų113.880%0.79658%0.584SS**Hα-helixtrans-62.8-30.3177.2-173.4175.8179.5-177.80112K103 E104 A105 G109K103-K107 WeakPolarHBondContact O-CB 3.49Å; K103-K107 PolarHBondContact O-N 3.12Å; E104-K107 WeakPolarHBondContact O-CB 3.39Å; E104-K107 PolarHBondContact O-N 3.26Å; A105-K107 VanDerWaalsContact C-N 3.34Å; A105-K107 PolarHBondContact O-N 3.3Å; K107-G109 VanDerWaalsContact C-N 3.28Å
108M83.2Confident71.7Confident146 Ų146111.6 Ų111.672%0.71958%0.577SS**THydrogen-bonded Turntrans-86.56.5174.2-63.3-60-72.900113.2E104 A105 A106 L110E104-M108 WeakPolarHBondContact O-CB 3.46Å; E104-M108 WeakPolarHBondContact O-CG 3.4Å; E104-M108 PolarHBondContact O-N 3.49Å; A105-M108 CarbonylContact O-C 3.41Å; A105-M108 PolarHBondContact O-N 3.23Å; A105-M108 VanDerWaalsContact O-N 3.14Å; A106-M108 PolarHBondContact O-N 2.97Å; M108-L110 HydrophobicContact CB-CD1 4.04Å; M108-L110 HydrophobicContact CB-CG 4.43Å; M108-L110 PolarHBondContact O-N 3.42Å
109G80.5Confident70.5Confident67 Ų67118.3 Ų118.369%0.69161%0.607SS**THydrogen-bonded Turntrans68.114.9179.200000114.2A105 A106 K107A105-G109 PolarHBondContact O-N 3.06Å; A105-G109 VanDerWaalsContact O-N 3.15Å; A106-G109 PolarHBondContact O-N 3.41Å; K107-G109 VanDerWaalsContact C-N 3.28Å
110L82Confident68.7Low105 Ų105118.9 Ų118.955%0.5562%0.624SS.*  trans-76.5134.1175.9-70.9155.4000109.1A105 M108 I112A105-L110 HydrophobicContact CB-CB 4.12Å; A105-L110 HydrophobicContact CB-CD1 4.3Å; A105-L110 WeakPolarHBondContact O-CB 3.48Å; A105-L110 PolarHBondContact O-N 3.11Å; M108-L110 HydrophobicContact CB-CD1 4.04Å; M108-L110 HydrophobicContact CB-CG 4.43Å; M108-L110 PolarHBondContact O-N 3.42Å; L110-I112 PolarHBondContact O-N 3.35Å; L110-I112 VanDerWaalsContact O-N 3.09Å
111P72Confident66.3Low125 Ų125123.5 Ų123.581%0.81264%0.635SS**  trans-65.4114.6179.726.2-32.9000109.6F113P111-F113 PolarHBondContact O-N 3.34Å
112I71.9Confident64.9Low50 Ų50123.9 Ų123.926%0.25664%0.639SS.*  trans-84.7102.1175.1-50.5179.4000107.6L98 E102 A105 A106 L110 T114L98-I112 HydrophobicContact CD2-CD1 3.47Å; L98-I112 VanDerWaalsContact CD2-CD1 3.47Å; L98-I112 HydrophobicContact CD2-CG2 3.87Å; E102-I112 HydrophobicContact CB-CD1 4.22Å; E102-I112 HydrophobicContact CB-CG2 4.34Å; E102-I112 HydrophobicContact CG-CG2 4.44Å; E102-I112 WeakPolarHBondContact O-CD1 3.37Å; A105-I112 HydrophobicContact CB-CG1 4.34Å; A106-I112 HydrophobicContact CB-CD1 3.38Å; A106-I112 HydrophobicContact CB-CG1 4.29Å; L110-I112 PolarHBondContact O-N 3.35Å; L110-I112 VanDerWaalsContact O-N 3.09Å; I112-T114 HydrophobicContact CG2-CG2 3.68Å; I112-T114 PolarHBondContact O-N 3.28Å
113F67.6Low62.9Low157 Ų157128.8 Ų128.869%0.68966%0.662SS**  trans-78.279175.1-159.7-94.2000109.3P111 H115P111-F113 PolarHBondContact O-N 3.34Å; F113-H115 AromaticContact CD1-CD2 3.62Å; F113-H115 AromaticContact CD1-CE1 3.66Å; F113-H115 AromaticContact CD1-CG 3.98Å; F113-H115 AromaticContact CD1-ND1 3.99Å; F113-H115 AromaticContact CD1-NE2 3.41Å; F113-H115 WeakPolarHBondContact CD1-NE2 3.44Å; F113-H115 AromaticContact CE1-CE1 3.36Å; F113-H115 WeakPolarHBondContact CE1-CE1 3.45Å; F113-H115 AromaticContact CE1-CG 4Å; F113-H115 AromaticContact CE1-ND1 3.58Å; F113-H115 AromaticContact CE1-NE2 3.64Å; F113-H115 PolarHBondContact O-N 3.03Å; F113-H115 VanDerWaalsContact O-N 3.08Å
114T67.2Low60.5Low53 Ų53128.6 Ų128.633%0.32567%0.672SS.*  trans-70.9104.5172.260.30000107.6I96 L98 I112 H116I96-T114 HydrophobicContact CG2-CG2 4.1Å; L98-T114 HydrophobicContact CD2-CG2 4.48Å; I112-T114 HydrophobicContact CG2-CG2 3.68Å; I112-T114 PolarHBondContact O-N 3.28Å; T114-H116 PolarHBondContact O-N 3.16Å
115H53.1Low59Low155 Ų155128.8 Ų128.872%0.71869%0.686SS**  trans-63.499.3172.5-76.2-91.9000108.8F113 K117F113-H115 AromaticContact CD1-CD2 3.62Å; F113-H115 AromaticContact CD1-CE1 3.66Å; F113-H115 AromaticContact CD1-CG 3.98Å; F113-H115 AromaticContact CD1-ND1 3.99Å; F113-H115 AromaticContact CD1-NE2 3.41Å; F113-H115 WeakPolarHBondContact CD1-NE2 3.44Å; F113-H115 AromaticContact CE1-CE1 3.36Å; F113-H115 WeakPolarHBondContact CE1-CE1 3.45Å; F113-H115 AromaticContact CE1-CG 4Å; F113-H115 AromaticContact CE1-ND1 3.58Å; F113-H115 AromaticContact CE1-NE2 3.64Å; F113-H115 PolarHBondContact O-N 3.03Å; F113-H115 VanDerWaalsContact O-N 3.08Å; H115-K117 PolarHBondContact O-N 3.01Å
116H49.4Very low56.5Low145 Ų145132.2 Ų132.267%0.67171%0.714SS**  trans-68.7110.1166.449-80.8000106.9T114 T118T114-H116 PolarHBondContact O-N 3.16Å; H116-T118 VanDerWaalsContact C-N 3.32Å; H116-T118 PolarHBondContact O-N 2.94Å
117K46.8Very low54.2Low206 Ų206135.6 Ų135.690%0.89673%0.73SS**  trans-71.896.8162.9-69.5-178.3175.4-177.70106.1H115H115-K117 PolarHBondContact O-N 3.01Å
118T40Very low51.8Low119 Ų119136.5 Ų136.573%0.7373%0.733SS**  trans-65.3141.5164.338.90000109H116H116-T118 VanDerWaalsContact C-N 3.32Å; H116-T118 PolarHBondContact O-N 2.94Å
119E44.2Very low49.5Very low194 Ų194136.2 Ų136.291%0.90774%0.74SS**  trans-64.4157.6-168.3-62.5162.2157.900113.7
120G37.7Very low47.3Very low80 Ų80138.3 Ų138.383%0.82574%0.744SS**  trans104.392.315100000117
121R29.6Very low45.2Very low243 Ų243142.4 Ų142.492%0.91776%0.76SS**  176.2127.2126-169.1156.4-180-132.3-2.2109.7
122Q45.8Very low43.1Very low175 Ų175141.9 Ų141.982%0.81876%0.76SS**  trans-65.8166174.1-66.5174.1-60.400111.3
123E37.3Very low41.5Very low179 Ų179145.6 Ų145.684%0.83678%0.784SS**  trans84.8121.9170.6-49.9-178.1-176.100113.5
124T32Very low40.1Very low128 Ų128146.1 Ų146.179%0.78579%0.789SS**  cis-149.5146.62548.70000111.4
125S46.8Very low38.6Very low114 Ų114152.2 Ų152.280%0.79781%0.811SS**  trans-37130.4163.749.80000116.2
126A32.7Very low38.1Very low98 Ų98149.8 Ų149.881%0.8181%0.809SS**  trans-147.996.5139.300000108.8
127T33.6Very low38Very low126 Ų126148.3 Ų148.377%0.77380%0.802SS**  trans-31.2133.9157.142.90000113.5
128K35Very low38Very low202 Ų202146.7 Ų146.788%0.87880%0.798SS**  -175.4105.2124.7-95.2160.5-169.2-1700110.2
129T35Very low38.6Very low139 Ų139147.3 Ų147.385%0.85380%0.796SS**  trans-68.5129.3155.442.80000109.5
130S34.2Very low38.9Very low111 Ų111145.1 Ų145.178%0.77679%0.785SS**  trans179.4115.1137.754.40000110.5
131E36.6Very low39.7Very low192 Ų192147.6 Ų147.690%0.89777%0.773SS**  trans-2.9124134.3-172.6176.3-169.600116.7
132S28.3Very low40.8Very low114 Ų114138.2 Ų138.280%0.79775%0.753SS**  trans-172.6126.2138.260.30000111.7
133V39.2Very low41.2Very low128 Ų128134.6 Ų134.678%0.77674%0.738SS**  trans-63.4157.7164.4178.20000110
134E38.8Very low41.9Very low168 Ų168132.7 Ų132.779%0.78573%0.729SS**  trans87.1108.9168.5-46-162.9162.800120.4
135K34.4Very low43.1Very low180 Ų180131.6 Ų131.678%0.78372%0.715SS**  174.2114.4107.7-98.2177.3176.3175.10112.8
136P42.6Very low43.6Very low105 Ų105129.2 Ų129.268%0.68270%0.698SS**  trans-88.33.9172.232.2-31.4000115.2
137E46.6Very low45Very low113 Ų113131.5 Ų131.553%0.52869%0.69SS.*Hα-helixtrans-81.1-18.8-166.2-66-158.5173.200117.2K141E137-K141 WeakPolarHBondContact O-CG 3.44Å; E137-K141 IonicContact OE2-NZ 3.63Å
138E48.8Very low46.5Very low173 Ų173132.4 Ų132.481%0.80868%0.683SS**Hα-helixtrans-80.6-28.7-177.3-83.1-171.2150.900113.4
139I51.3Low47.8Very low132 Ų132129 Ų12968%0.67767%0.668SS**Hα-helixtrans-74.9-33.6-176.9-59.3173.9000110.9L143I139-L143 HydrophobicContact CG2-CD1 4.32Å; I139-L143 PolarHBondContact O-N 3.23Å
140E51.6Low49.2Very low148 Ų148130.4 Ų130.469%0.69266%0.663SS**Hα-helixtrans-70.3-35.6177.5-75.1-159.4138.500113.3G142 L143 H144E140-G142 PolarHBondContact O-N 2.98Å; E140-L143 PolarHBondContact O-N 3.16Å; E140-H144 PolarHBondContact O-N 3.14Å; E140-H144 VanDerWaalsContact O-N 3.08Å
141K52.8Low50.8Low131 Ų131133.2 Ų133.257%0.5766%0.661SS**Hα-helixtrans-64.9-41.3-179.6-68.3173.6-171.11700111.6E137 L143 H144 E145E137-K141 WeakPolarHBondContact O-CG 3.44Å; E137-K141 IonicContact OE2-NZ 3.63Å; K141-L143 PolarHBondContact O-N 3.44Å; K141-H144 PolarHBondContact O-N 3.08Å; K141-E145 PolarHBondContact O-N 3.18Å
142G53.1Low52Low47 Ų47130.6 Ų130.649%0.48565%0.649SS.*Hα-helixtrans-67.4-33.9176.900000114.5E140 S146E140-G142 PolarHBondContact O-N 2.98Å; G142-S146 PolarHBondContact O-N 3.48Å; G142-S146 PolarHBondContact O-OG 3.41Å
143L55.4Low53.8Low98 Ų98133.4 Ų133.451%0.51365%0.647SS.*Hα-helixtrans-74.4-33.7176.8-81.6162.3000112.7I139 E140 K141 S146 K147I139-L143 HydrophobicContact CG2-CD1 4.32Å; I139-L143 PolarHBondContact O-N 3.23Å; E140-L143 PolarHBondContact O-N 3.16Å; K141-L143 PolarHBondContact O-N 3.44Å; L143-S146 PolarHBondContact O-OG 3.25Å; L143-S146 VanDerWaalsContact O-OG 3.08Å; L143-K147 WeakPolarHBondContact O-CG 3.44Å; L143-K147 PolarHBondContact O-N 3.42Å
144H51.3Low55.3Low139 Ų139134.9 Ų134.964%0.64464%0.643SS**Hα-helixtrans-72.7-38.1178.1-170.4-111.6000112.1E140 K141 K147 K148E140-H144 PolarHBondContact O-N 3.14Å; E140-H144 VanDerWaalsContact O-N 3.08Å; K141-H144 PolarHBondContact O-N 3.08Å; H144-K147 PolarHBondContact O-N 3.05Å; H144-K148 WeakPolarHBondContact O-CB 3.4Å; H144-K148 PolarHBondContact O-N 3.48Å
145E56.7Low56.6Low106 Ų106132.1 Ų132.150%0.49563%0.633SS.*Hα-helixtrans-72.9-37.3-178.6-160.2174.1162.800113.1K141 K148 K149K141-E145 PolarHBondContact O-N 3.18Å; E145-K148 PolarHBondContact O-N 3.36Å; E145-K149 PolarHBondContact O-N 3.02Å; E145-K149 IonicContact OE1-NZ 3.4Å; E145-K149 PolarHBondContact OE1-NZ 3.19Å
146S57.4Low58.4Low64 Ų64131.8 Ų131.845%0.44863%0.632SS.*Hα-helixtrans-66.3-37.2173.957.50000112.5G142 L143 K150G142-S146 PolarHBondContact O-N 3.48Å; G142-S146 PolarHBondContact O-OG 3.41Å; L143-S146 PolarHBondContact O-OG 3.25Å; L143-S146 VanDerWaalsContact O-OG 3.08Å; S146-K150 WeakPolarHBondContact O-CB 3.48Å; S146-K150 PolarHBondContact O-N 3.45Å; S146-K150 VanDerWaalsContact O-N 3.08Å
147K63Low59.8Low146 Ų146134.9 Ų134.964%0.63564%0.635SS**Hα-helixtrans-65.9-40.3171.4-76.6176.3-178.4173.40112.1L143 H144 K150 K151L143-K147 WeakPolarHBondContact O-CG 3.44Å; L143-K147 PolarHBondContact O-N 3.42Å; H144-K147 PolarHBondContact O-N 3.05Å; K147-K150 PolarHBondContact O-N 3.02Å; K147-K151 WeakPolarHBondContact O-CB 3.29Å; K147-K151 PolarHBondContact O-N 2.96Å
148K64.1Low60.8Low144 Ų144135.7 Ų135.763%0.62664%0.638SS**Hα-helixtrans-62.8-47.6176.5-167176.1178.8-177.40111.5H144 E145 K150 K151 E152H144-K148 WeakPolarHBondContact O-CB 3.4Å; H144-K148 PolarHBondContact O-N 3.48Å; E145-K148 PolarHBondContact O-N 3.36Å; K148-K150 VanDerWaalsContact C-N 3.35Å; K148-K150 PolarHBondContact O-N 3.4Å; K148-K151 PolarHBondContact O-N 3.04Å; K148-E152 PolarHBondContact O-N 3.09Å
149K62.3Low62.1Low131 Ų131134.9 Ų134.957%0.5763%0.632SS**Hα-helixtrans-62.4-36.4176.1-74.1177.7-178.9167.90112.8E145 K153E145-K149 PolarHBondContact O-N 3.02Å; E145-K149 IonicContact OE1-NZ 3.4Å; E145-K149 PolarHBondContact OE1-NZ 3.19Å; K149-K153 PolarHBondContact O-N 3.47Å
150K64.5Low63.2Low169 Ų169136.5 Ų136.574%0.73563%0.634SS**Hα-helixtrans-69.8-39.9176.1-169.8175.9-178.9178.30112.8S146 K147 K148 K154S146-K150 WeakPolarHBondContact O-CB 3.48Å; S146-K150 PolarHBondContact O-N 3.45Å; S146-K150 VanDerWaalsContact O-N 3.08Å; K147-K150 PolarHBondContact O-N 3.02Å; K148-K150 VanDerWaalsContact C-N 3.35Å; K148-K150 PolarHBondContact O-N 3.4Å; K150-K154 PolarHBondContact O-N 3.45Å
151K68.2Low64.2Low170 Ų170137.4 Ų137.474%0.73964%0.636SS**Hα-helixtrans-65.9-39.2177.2-170.5174.2-179.9179.30111.5K147 K148 K154 N155K147-K151 WeakPolarHBondContact O-CB 3.29Å; K147-K151 PolarHBondContact O-N 2.96Å; K148-K151 PolarHBondContact O-N 3.04Å; K151-K154 PolarHBondContact O-N 3.48Å; K151-N155 PolarHBondContact O-N 3.35Å
152E61.9Low65.2Low137 Ų137139.2 Ų139.264%0.6464%0.644SS**Hα-helixtrans-66.9-44.2178.2-164.9-177.6161.500112.7K148 K154 N155 K156K148-E152 PolarHBondContact O-N 3.09Å; E152-K154 VanDerWaalsContact C-N 3.27Å; E152-K154 PolarHBondContact O-N 2.83Å; E152-N155 PolarHBondContact O-N 2.99Å; E152-K156 PolarHBondContact O-N 3.48Å; E152-K156 VanDerWaalsContact O-N 3.12Å
153K65.4Low66.1Low173 Ų173141.9 Ų141.975%0.75264%0.644SS**Hα-helixtrans-62.8-32.2176.8-164171.3-176.6174.40112.6K149 K157K149-K153 PolarHBondContact O-N 3.47Å; K153-K157 PolarHBondContact O-N 3.19Å
154K69.9Low66.8Low159 Ų159143.5 Ų143.569%0.69165%0.646SS**Hα-helixtrans-68.5-43.3175.2-168.5178.5178.2-175.70111.7K150 K151 E152 K157 E158K150-K154 PolarHBondContact O-N 3.45Å; K151-K154 PolarHBondContact O-N 3.48Å; E152-K154 VanDerWaalsContact C-N 3.27Å; E152-K154 PolarHBondContact O-N 2.83Å; K154-K157 PolarHBondContact O-N 3.09Å; K154-E158 PolarHBondContact O-N 2.73Å
155N67.2Low67.7Low110 Ų110143.8 Ų143.859%0.58865%0.646SS**Hα-helixtrans-67.3-40-179-157.6-23000112.1K151 E152 K157 E158 K159K151-N155 PolarHBondContact O-N 3.35Å; E152-N155 PolarHBondContact O-N 2.99Å; N155-K157 VanDerWaalsContact C-N 3.34Å; N155-K157 PolarHBondContact O-N 3.33Å; N155-E158 PolarHBondContact O-N 2.86Å; N155-K159 PolarHBondContact O-N 2.88Å
156K72.3Confident68.4Low173 Ų173144.9 Ų144.975%0.75265%0.649SS**Hα-helixtrans-61.9-37.9175.3-168.4170.7-176.5172.30112.9E152 K160E152-K156 PolarHBondContact O-N 3.48Å; E152-K156 VanDerWaalsContact O-N 3.12Å; K156-K160 PolarHBondContact O-N 3.16Å
157K71.8Confident68.8Low170 Ų170147.9 Ų147.974%0.73965%0.654SS**Hα-helixtrans-67.9-36.3176.8-171.1174.4-178.5177.50112K153 K154 N155 K161K153-K157 PolarHBondContact O-N 3.19Å; K154-K157 PolarHBondContact O-N 3.09Å; N155-K157 VanDerWaalsContact C-N 3.34Å; N155-K157 PolarHBondContact O-N 3.33Å; K157-K161 PolarHBondContact O-N 3.08Å
158E68.8Low68.6Low129 Ų129148.5 Ų148.560%0.60365%0.652SS**Hα-helixtrans-71.8-43.1178.9-166.4172.8170.100112.3K154 N155 K160 K161 K162K154-E158 PolarHBondContact O-N 2.73Å; N155-E158 PolarHBondContact O-N 2.86Å; E158-K160 VanDerWaalsContact C-N 3.34Å; E158-K160 PolarHBondContact O-N 2.99Å; E158-K161 PolarHBondContact O-N 3.43Å; E158-K161 VanDerWaalsContact O-N 3.12Å; E158-K162 PolarHBondContact O-N 3.38Å
159K75.2Confident68.4Low157 Ų157148 Ų14868%0.68365%0.65SS**Hα-helixtrans-58.1-43.7174.9-167.8173.5179.9178.30112N155 K161 K162 E163N155-K159 PolarHBondContact O-N 2.88Å; K159-K161 VanDerWaalsContact C-N 3.34Å; K159-K161 PolarHBondContact O-N 2.98Å; K159-K162 PolarHBondContact O-N 3.38Å; K159-E163 PolarHBondContact O-N 3.21Å
160K73.3Confident68.2Low166 Ų166150 Ų15072%0.72265%0.654SS**Hα-helixtrans-64.7-34176.7-166171.1-176.5173.60112.7K156 E158 K164K156-K160 PolarHBondContact O-N 3.16Å; E158-K160 VanDerWaalsContact C-N 3.34Å; E158-K160 PolarHBondContact O-N 2.99Å; K160-K164 PolarHBondContact O-N 3.25Å; K160-K164 VanDerWaalsContact O-N 3.16Å
161K74.4Confident67.7Low166 Ų166151.4 Ų151.472%0.72266%0.655SS**Hα-helixtrans-71.6-39.8176-168179.6178.7-174.90111.7K157 E158 K159 K164 K165K157-K161 PolarHBondContact O-N 3.08Å; E158-K161 PolarHBondContact O-N 3.43Å; E158-K161 VanDerWaalsContact O-N 3.12Å; K159-K161 VanDerWaalsContact C-N 3.34Å; K159-K161 PolarHBondContact O-N 2.98Å; K161-K164 PolarHBondContact O-N 3.49Å; K161-K165 PolarHBondContact O-N 2.88Å
162K73.9Confident66.9Low170 Ų170148.5 Ų148.574%0.73965%0.647SS**Hα-helixtrans-65.1-41.3176.5-166173.7-178.11770111.6E158 K159 K165 K166E158-K162 PolarHBondContact O-N 3.38Å; K159-K162 PolarHBondContact O-N 3.38Å; K162-K165 PolarHBondContact O-N 2.97Å; K162-K166 PolarHBondContact O-N 3.42Å
163E70.9Confident66.2Low103 Ų103146.4 Ų146.448%0.48165%0.648SS.*Hα-helixtrans-65.3-44.5176.2-162.7-162.3142.600112.3K159 K165 K166 K167K159-E163 PolarHBondContact O-N 3.21Å; E163-K165 VanDerWaalsContact C-N 3.28Å; E163-K165 PolarHBondContact O-N 3.44Å; E163-K166 PolarHBondContact O-N 3.41Å; E163-K166 VanDerWaalsContact O-N 3.14Å; E163-K167 PolarHBondContact O-N 2.93Å; E163-K167 IonicContact OE1-NZ 2.79Å; E163-K167 PolarHBondContact OE1-NZ 3.34Å
164K69.6Low65.4Low131 Ų131142.9 Ų142.957%0.5765%0.645SS**Hα-helixtrans-62.6-34.7176.2-166.9172.8-177.4174.10112.1K160 K161 R168K160-K164 PolarHBondContact O-N 3.25Å; K160-K164 VanDerWaalsContact O-N 3.16Å; K161-K164 PolarHBondContact O-N 3.49Å; K164-R168 WeakPolarHBondContact O-CG 3.46Å; K164-R168 PolarHBondContact O-N 3.03Å
165K70.9Confident64.1Low146 Ų146139.1 Ų139.164%0.63564%0.644SS**Hα-helixtrans-68.5-39.3174-166.6177.2-179-178.20111.8K161 K162 E163 R168 K169K161-K165 PolarHBondContact O-N 2.88Å; K162-K165 PolarHBondContact O-N 2.97Å; E163-K165 VanDerWaalsContact C-N 3.28Å; E163-K165 PolarHBondContact O-N 3.44Å; K165-R168 PolarHBondContact O-N 2.96Å; K165-K169 PolarHBondContact O-N 3.17Å; K165-K169 VanDerWaalsContact O-N 3.11Å
166K70.8Confident62.7Low128 Ų128137.9 Ų137.956%0.55764%0.643SS**Hα-helixtrans-67.5-40.5176.5-166.8176.6-179.1178.60112.2K162 E163 R168 K169 R170K162-K166 PolarHBondContact O-N 3.42Å; E163-K166 PolarHBondContact O-N 3.41Å; E163-K166 VanDerWaalsContact O-N 3.14Å; K166-R168 VanDerWaalsContact C-N 3.34Å; K166-R168 PolarHBondContact O-N 3.38Å; K166-K169 PolarHBondContact O-N 3.41Å; K166-R170 PolarHBondContact O-N 2.92Å; K166-R170 VanDerWaalsContact O-N 3.16Å
167K66.4Low61.2Low128 Ų128138.6 Ų138.656%0.55765%0.65SS**Hα-helixtrans-64.3-34.5174.6-80.9177.7170.1157.10112.9E163 R171E163-K167 PolarHBondContact O-N 2.93Å; E163-K167 IonicContact OE1-NZ 2.79Å; E163-K167 PolarHBondContact OE1-NZ 3.34Å; K167-R171 PolarHBondContact O-N 3.01Å
168R59.2Low59.5Low159 Ų159135.8 Ų135.860%0.665%0.651SS**Hα-helixtrans-68.6-47.6174.3-75.8179.8173.6-175.4-5.9112.2K164 K165 K166 R170 R171 D172K164-R168 WeakPolarHBondContact O-CG 3.46Å; K164-R168 PolarHBondContact O-N 3.03Å; K165-R168 PolarHBondContact O-N 2.96Å; K166-R168 VanDerWaalsContact C-N 3.34Å; K166-R168 PolarHBondContact O-N 3.38Å; R168-R170 VanDerWaalsContact C-N 3.26Å; R168-R170 PolarHBondContact O-N 3.47Å; R168-R171 PolarHBondContact O-N 3.26Å; R168-D172 PolarHBondContact O-N 2.99Å; R168-D172 VanDerWaalsContact O-N 3.08Å
169K59.1Low58Low133 Ų133136.3 Ų136.358%0.57866%0.663SS**Hα-helixtrans-56.8-38176.4-74.6-162.8170-1590113.2K165 K166 R171 D172 S173K165-K169 PolarHBondContact O-N 3.17Å; K165-K169 VanDerWaalsContact O-N 3.11Å; K166-K169 PolarHBondContact O-N 3.41Å; K169-R171 VanDerWaalsContact C-N 3.3Å; K169-R171 PolarHBondContact O-N 3.31Å; K169-D172 PolarHBondContact O-N 3.35Å; K169-S173 WeakPolarHBondContact O-CB 3.42Å; K169-S173 PolarHBondContact O-N 2.96Å; K169-S173 PolarHBondContact O-OG 2.95Å
170R58.8Low56.1Low174 Ų174134.6 Ų134.666%0.65767%0.671SS**Hα-helixtrans-67.6-25.1176.4-75.8-176.4168.6169.3-7114.5K166 R168K166-R170 PolarHBondContact O-N 2.92Å; K166-R170 VanDerWaalsContact O-N 3.16Å; R168-R170 VanDerWaalsContact C-N 3.26Å; R168-R170 PolarHBondContact O-N 3.47Å
171R54.7Low54.2Low197 Ų197131.4 Ų131.474%0.74367%0.67SS**Hα-helixtrans-84.8-31.1176.1-73.3-177.4178.8179.8-2.9112.4K167 R168 K169 S174K167-R171 PolarHBondContact O-N 3.01Å; R168-R171 PolarHBondContact O-N 3.26Å; K169-R171 VanDerWaalsContact C-N 3.3Å; K169-R171 PolarHBondContact O-N 3.31Å; R171-S174 PolarHBondContact O-OG 3.49Å; R171-S174 VanDerWaalsContact O-OG 3.05Å
172D49.7Very low52.4Low110 Ų110130.4 Ų130.459%0.58867%0.672SS**Hα-helixtrans-75.6-33.9175.4-65.3-39.6000111.3R168 K169 S174 A175 S176R168-D172 PolarHBondContact O-N 2.99Å; R168-D172 VanDerWaalsContact O-N 3.08Å; K169-D172 PolarHBondContact O-N 3.35Å; D172-S174 VanDerWaalsContact C-N 3.27Å; D172-S174 PolarHBondContact O-N 3.44Å; D172-A175 PolarHBondContact O-N 2.95Å; D172-S176 PolarHBondContact O-OG 3.26Å
173S47.9Very low50.7Low92 Ų92129.1 Ų129.164%0.64367%0.674SS**THydrogen-bonded Turntrans-72.2-12.9175.5-59.30000114.8K169K169-S173 WeakPolarHBondContact O-CB 3.42Å; K169-S173 PolarHBondContact O-N 2.96Å; K169-S173 PolarHBondContact O-OG 2.95Å
174S47.9Very low49.2Very low99 Ų99130.6 Ų130.669%0.69269%0.685SS**THydrogen-bonded Turntrans-96.30.7173.260.20000113.1R171 D172R171-S174 PolarHBondContact O-OG 3.49Å; R171-S174 VanDerWaalsContact O-OG 3.05Å; D172-S174 VanDerWaalsContact C-N 3.27Å; D172-S174 PolarHBondContact O-N 3.44Å
175A43.7Very low47.8Very low81 Ų81135.9 Ų135.967%0.66970%0.701SS**SBendtrans-116.66.2-177.100000113D172D172-A175 PolarHBondContact O-N 2.95Å
176S37.8Very low46.6Very low83 Ų83137.8 Ų137.858%0.5871%0.709SS**  trans-138.758.4-177.269.60000112.1D172D172-S176 PolarHBondContact O-OG 3.26Å
177E40.1Very low45.5Very low189 Ų189142.5 Ų142.588%0.88372%0.724SS**  trans-140.775.7155.1-76.2-158159.400108.6
178S37.6Very low44.6Very low110 Ų110145.2 Ų145.277%0.76974%0.738SS**  trans-167.158.2161.355.30000112.8
179T36.3Very low43.9Very low141 Ų141148.7 Ų148.787%0.86575%0.751SS**SBendtrans-150.4123.5151.660.20000111.1
180S34.6Very low43Very low120 Ų120150 Ų15084%0.83976%0.757SS**  trans85.394.8164.5-162.20000116.7
181S34Very low42.2Very low99 Ų99146.1 Ų146.169%0.69275%0.749SS**  -174.9144.6101.7-143.80000112.1
182D37Very low42.2Very low145 Ų145144.6 Ų144.678%0.77575%0.75SS**  trans86116.4152.5-70.2-73.1000121.8
183D38.3Very low42.3Very low144 Ų144147.3 Ų147.377%0.7776%0.759SS**  trans-54160.9162-143.1-46.1000112.8
184N39.8Very low42.3Very low133 Ų133151.5 Ų151.571%0.71177%0.768SS**  trans68.1103.9170.4-94.8-39000119.3
185R40Very low42.1Very low242 Ų242155.8 Ų155.891%0.91378%0.776SS**  -174.6104122.8-95154.2-156.6-150.78.7112.7
186K44.1Very low42.2Very low186 Ų186158.8 Ų158.881%0.80978%0.781SS**  trans34.3121.7137.2-62.4-171178.71790120.3
187R48.6Very low43Very low228 Ų228159.9 Ų159.986%0.8679%0.786SS**  trans46.7110.8133.8-64.5-179-178.6-175.7-0.4118.3
188H48.3Very low42.9Very low185 Ų185155.6 Ų155.686%0.85678%0.777SS**  trans-163.798.8133.1-96.1-77.3000107.2
189R42.8Very low43Very low232 Ų232159.3 Ų159.388%0.87578%0.776SS**  62.7111.199.5-80.4-158.2-179-168.72.6115.1
190K41Very low43.5Very low160 Ų160160 Ų16070%0.69677%0.769SS**  82.6116.5113.5-157.266.5167.4145.10117.9
191D42.2Very low43.9Very low93 Ų93159.5 Ų159.550%0.49777%0.766SS.*  trans60.7135.5150.9-55.1-19.9000116.4
192H53.9Low44.4Very low165 Ų165163.3 Ų163.376%0.76477%0.773SS**  -155.8129.965.9-71.1-81.9000112.4
193H52.9Low44.3Very low166 Ų166161.8 Ų161.877%0.76977%0.773SS**  trans-57.8141.3151.8-61.8-81.8000109.9
194H46.7Very low44.5Very low181 Ų181158.8 Ų158.884%0.83878%0.776SS**  trans-156.3142.5140.1-76.2-51.7000111
195H44.8Very low44.5Very low188 Ų188157.4 Ų157.487%0.8778%0.783SS**  trans-75155.3-166.3-80.7-70.6000116
196N44.5Very low44.4Very low144 Ų144157.1 Ų157.177%0.7778%0.782SS**  trans-34149.6150.5-159.619.9000113.3
197P56.4Low44.5Very low106 Ų106154.1 Ų154.169%0.68878%0.781SS**  -156.1-173.68737.5-16.1000114
198S36.4Very low44.1Very low99 Ų99151.3 Ų151.369%0.69278%0.778SS**  trans107.3120.1159.1-171.80000114.1
199Y40.4Very low43.6Very low188 Ų188149.5 Ų149.574%0.73778%0.775SS**  cis-179156.7-2.9-122.4-72000105.8
200H46.7Very low43.6Very low155 Ų155141.2 Ų141.272%0.71875%0.752SS**  trans76.679.4157.5-64.6103.8000119.5
201S42.1Very low43.4Very low111 Ų111141.6 Ų141.678%0.77676%0.756SS**  -1.8130.9118-44.10000117.3
202Q45.2Very low43.4Very low179 Ų179142.1 Ų142.184%0.83677%0.767SS**  179.1101.5116.1-94.2-172.94.400107.7
203S35.7Very low42.7Very low112 Ų112144.7 Ų144.778%0.78377%0.77SS**  62.7110.492.473.30000113.2
204G41Very low41.8Very low81 Ų81144.5 Ų144.584%0.83577%0.769SS**  trans-171.7100.8168.900000110.5
205A39.9Very low41.2Very low104 Ų104139.4 Ų139.486%0.8677%0.765SS**  trans-65.3155.1-174.800000113.9
206R39.5Very low40.8Very low236 Ų236135 Ų13589%0.89176%0.762SS**  trans-50.9161.8160.6-73.7-179.7164.9-158.7-4.1111.2
207P46.2Very low40.5Very low123 Ų123138.2 Ų138.280%0.79977%0.769SS**  cis-152.1178.144.638.4-14.4000118.7
208H40.5Very low39.6Very low169 Ų169138.1 Ų138.178%0.78278%0.778SS**  trans-53.5131.8167.5-164.9-75.3000111.7S210H208-S210 PolarHBondContact CE1-OG 2.9Å; H208-S210 VanDerWaalsContact CE1-OG 3.31Å; H208-S210 PolarHBondContact ND1-OG 3.42Å
209D36.7Very low39.7Very low148 Ų148141.7 Ų141.779%0.79178%0.783SS**  trans-114127.1172.4-170.520.6000109.9
210S42.6Very low39.5Very low57 Ų57140.8 Ų140.840%0.39979%0.786SS.*  trans-131.4150.6173.4-66.20000106.3H208H208-S210 PolarHBondContact CE1-OG 2.9Å; H208-S210 VanDerWaalsContact CE1-OG 3.31Å; H208-S210 PolarHBondContact ND1-OG 3.42Å
211H36.8Very low38.9Very low168 Ų168141.4 Ų141.478%0.77879%0.789SS**  trans87.4143.2169.6-41.5-55.2000114.1
212S42.3Very low39.1Very low104 Ų104141.6 Ų141.673%0.72779%0.788SS**  cis178.5150.1-8.7-900000105.3
213R38.9Very low38.7Very low219 Ų219138.4 Ų138.483%0.82679%0.785SS**  trans-164.7103.7142.4-107.4-167.1148.2-174.7-0.9108.8
214E34.8Very low38.9Very low163 Ų163141.6 Ų141.676%0.76278%0.78SS**  90.6125.196.1-106.5176153.100110.4
215G33.2Very low39.1Very low73 Ų73144.1 Ų144.175%0.75378%0.781SS**  cis-178.4-167.29.400000111.9
216A37.7Very low39.1Very low97 Ų97146.4 Ų146.480%0.80277%0.768SS**  trans88.787.6-179.500000115.5
217K38.1Very low39.1Very low210 Ų210142.7 Ų142.791%0.91376%0.76SS**  69.299.281.1-61.6-96.4-174.9174.20113.4
218A37.2Very low38.8Very low105 Ų105148.1 Ų148.187%0.86877%0.765SS**  trans-161.7149.6146.100000109.1
219E38.3Very low38.7Very low173 Ų173150.4 Ų150.481%0.80877%0.766SS**  trans-82.3176.4-153.7-60.9-173.1136.400116.6
220Q35.6Very low38.8Very low170 Ų170150.7 Ų150.779%0.79476%0.763SS**  trans95.9108.8154.8-73.5166.222.700118.5
221Q33.9Very low38.6Very low168 Ų168158.3 Ų158.379%0.78578%0.783SS**  trans-118.5160.8154.6-73-66.5-32.700105.4
222P47.9Very low38.7Very low115 Ų115159.1 Ų159.175%0.74779%0.787SS**  cis-146.3158.133.838-17.1000117.1
223S36.2Very low38.7Very low111 Ų111161.4 Ų161.478%0.77679%0.791SS**  169.8125.8120.545.80000111.4
224R40.1Very low38.9Very low180 Ų180157.7 Ų157.768%0.67979%0.793SS**  trans-104.8165.1158-63.6-176.5163.2-174.84.2107.4
225P45.8Very low39.1Very low133 Ų133156.9 Ų156.986%0.86479%0.793SS**  -134.4161.978.919.92000114.4
226R39.9Very low39.5Very low153 Ų153159 Ų15958%0.57780%0.797SS**  trans-98.9164.7-178.7-71.3-171.4173.4-104.11.7112.4
227H38.2Very low39.7Very low158 Ų158159.2 Ų159.273%0.73179%0.793SS**  trans106.6120.4137.6-62.2-63.9000120.1
228R39.8Very low39.9Very low237 Ų237157 Ų15789%0.89479%0.79SS**  172.4115.8119.7-101.5179169178.4-2.7108.6
229R39.8Very low40Very low216 Ų216155.4 Ų155.482%0.81579%0.785SS**  64.9127.480.3-76.6-166.8-179.7-119.22.7115.9
230Q37.8Very low39.9Very low154 Ų154150.3 Ų150.372%0.7278%0.779SS**  trans78.1131147.9-125.6108.917.800115.5
231R39.3Very low40.1Very low218 Ų218148.3 Ų148.382%0.82378%0.783SS**  -160.4160.652.2-75.5163.9-179.8-103.9-1.7112
232H37.3Very low40.9Very low185 Ų185146.1 Ų146.186%0.85678%0.784SS**  trans-77.2132.9162.1-67.2-87.9000109
233D42.3Very low40.4Very low151 Ų151144.8 Ų144.881%0.80778%0.783SS**  trans-112.9110163.8-66.5-42000108.4D235D233-D235 PolarHBondContact O-N 3.24Å
234T44.1Very low40.7Very low142 Ų142150 Ų15087%0.87179%0.785SS**  trans-69.2107.315544.90000107
235D39.8Very low40.8Very low145 Ų145147.2 Ų147.278%0.77579%0.793SS**  trans-104.2109.8160-164.230.4000109.3D233D233-D235 PolarHBondContact O-N 3.24Å
236S39.7Very low40.7Very low118 Ų118147.4 Ų147.483%0.82579%0.787SS**  trans-87.2103170.5-179.90000106
237S42.7Very low40.8Very low102 Ų102145.4 Ų145.471%0.71380%0.796SS**  trans-129106.1165-162.40000109.9
238D43.1Very low41Very low162 Ų162141.5 Ų141.587%0.86679%0.792SS**  trans-52.3126.4161.8-167.37.9000109.7
239G39.2Very low41.1Very low73 Ų73139.4 Ų139.475%0.75379%0.789SS**  trans-162.758.4-165.500000113.8
240G35.7Very low41.5Very low66 Ų66138 Ų13868%0.6879%0.791SS**  trans6694.1144.500000117.8
241S38.8Very low42Very low127 Ų127139.9 Ų139.989%0.88880%0.798SS**  trans-73.8138.4150.6-65.80000110.3
242P50.9Low42.6Very low122 Ų122139.2 Ų139.279%0.79280%0.8SS**  trans-119.3120.314032.4-23000111.5
243A37Very low43Very low88 Ų88134.6 Ų134.673%0.72780%0.795SS**  trans33.1110.114000000120.2
244R43.5Very low43.4Very low221 Ų221133.6 Ų133.683%0.83480%0.796SS**  34.2113.1120.3-54.2177.5106.6-121.96.1117.6
245S42.5Very low43.5Very low121 Ų121131.9 Ų131.985%0.84680%0.797SS**  trans-140.1119.4133.271.10000110.6
246N42.6Very low43.8Very low136 Ų136128.3 Ų128.373%0.72779%0.794SS**  trans-67.8133.8174.6-70-38.3000111.3
247S42.6Very low44.2Very low111 Ų111127.4 Ų127.478%0.77679%0.794SS**  trans-178.9105.5133.348.30000108.2
248A41.6Very low44.5Very low77 Ų77129 Ų12964%0.63680%0.799SS**  83.8119.488.200000113.3
249F43.1Very low45Very low192 Ų192130.9 Ų130.984%0.84280%0.803SS**  trans85.183159.2-51.8-67.8000119.1K251F249-K251 PolarHBondContact O-N 2.99Å
250H47.1Very low45.4Very low186 Ų186132.2 Ų132.286%0.86180%0.801SS**  trans-58.6118.2141.5-68.6-63.7000110.8
251K48.3Very low46.3Very low195 Ų195137.6 Ų137.685%0.84881%0.808SS**  trans-138.2103.1145.9-73.6-165.1-179.9168.40110.6F249F249-K251 PolarHBondContact O-N 2.99Å
252K52.6Low46.9Very low203 Ų203142.8 Ų142.888%0.88381%0.808SS**PPolyproline II helixtrans-65.1143.3159.4-68-174.6174.9-174.60109.5
253A45.1Very low47.1Very low89 Ų89147.4 Ų147.474%0.73681%0.81SS**PPolyproline II helixtrans-61.3162.5175.200000113.3
254P51.1Low48.1Very low130 Ų130153.9 Ų153.984%0.84482%0.815SS**PPolyproline II helixtrans-80.9118.6171.831.8-29.9000110.5
255A46.7Very low48.3Very low106 Ų106151.3 Ų151.388%0.87681%0.812SS**PPolyproline II helixtrans-89120.8162.500000108.6
256G46Very low49.2Very low70 Ų70152.2 Ų152.272%0.72281%0.808SS**PPolyproline II helixtrans-84.5156.2168.300000111.9
257A47.6Very low49.9Very low99 Ų99151.9 Ų151.982%0.81881%0.811SS**  trans55.595.3154.900000118.4
258T49.3Very low50.3Low135 Ų135153.6 Ų153.683%0.82881%0.811SS**  trans-114.5109.4137.753.20000108.3
259Q54.6Low50.6Low201 Ų201155.5 Ų155.594%0.93982%0.82SS**  trans-66.7122.9154.9-77178-46.600106.9
260S47.3Very low51.3Low102 Ų102154 Ų15471%0.71382%0.82SS**  trans-142.4102.3159.565.60000109
261H53.7Low51.4Low179 Ų179156.4 Ų156.483%0.82984%0.84SS**  trans-44.3122.4166.3-176.979.3000113
262R53Low51.5Low236 Ų236154.5 Ų154.589%0.89184%0.84SS**  trans-148.2112.6153.2-73-163-179.2124.52.4111.5
263R53.6Low51.5Low219 Ų219151.9 Ų151.983%0.82684%0.837SS**  trans30114.9146.5-75179.9165.8-175.4-5.9118.7
264R58.1Low51.8Low223 Ų223155.4 Ų155.484%0.84284%0.843SS**  trans-77135.2156.2-62.2178.6177.7-133.90.2108.1
265H47.2Very low51.9Low167 Ų167156.9 Ų156.977%0.77384%0.843SS**  trans-95.6113.3153.4-75.3-81.4000105.3
266D62.3Low52.2Low140 Ų140160.1 Ų160.175%0.74984%0.841SS**  trans-79.3118.3164.4-62-46.2000106.5
267T56.5Low52.6Low129 Ų129166.1 Ų166.179%0.79185%0.849SS**  trans-125.698.615649.30000105.7
268D52.4Low53Low148 Ų148170.9 Ų170.979%0.79185%0.851SS**  trans-65.6132.8163.1-153.8-3.3000108.2
269S47.3Very low53.3Low117 Ų117173.7 Ų173.782%0.81885%0.853SS**  trans-160.481.7168-74.90000107.8
270D57.4Low53.1Low159 Ų159171.4 Ų171.485%0.8585%0.846SS**  trans-111.1105.2151.1-109.5-72.1000105.7
271D49.1Very low53.7Low238 Ų238177.7 Ų177.7100%1.27386%0.858SS**  175.30130-157.250.9000109.5

Retrieved 271 of 271 residues in 150.2 ms (Link to these results)