A0A087X3Z8_POEFO Loading...

RING-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A087X3Z8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 402 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
1T39.7Very low47Very low190 Ų190141.2 Ų141.2100%1.16684%0.837SS**  099.70-48.10000108.1
2T39.7Very low48.5Very low146 Ų146136.6 Ų136.690%0.89681%0.806SS**  trans-72.2125.7175.3160000108.8
3M42.1Very low50.4Low182 Ų182138 Ų13890%0.89779%0.789SS**  trans-108.6119.9165.6-72.3-167.793.500108.3
4D43.2Very low52.4Low163 Ų163137.7 Ų137.787%0.87278%0.777SS**  trans-79.2117.8-174.5-160.915.9000109G6D4-G6 PolarHBondContact O-N 3.35Å
5T48.1Very low54.4Low135 Ų135133.5 Ų133.583%0.82876%0.76SS**  trans-82.298.7178.11.70000108.7
6G47Very low56.1Low73 Ų73132.1 Ų132.175%0.75375%0.745SS**  trans-55.5132.4177.900000113D4 N8D4-G6 PolarHBondContact O-N 3.35Å; G6-N8 PolarHBondContact O-N 3.15Å
7V49.5Very low57.8Low128 Ų128128.5 Ų128.578%0.77673%0.726SS**  trans-72.3122.1178.4-166.50000109.1T9V7-T9 PolarHBondContact O-N 3.19Å; V7-T9 VanDerWaalsContact O-N 3.09Å; V7-T9 PolarHBondContact O-OG1 3.48Å
8N45.1Very low59.3Low152 Ų152124 Ų12481%0.81371%0.708SS**  trans-58.4108.1174.4-173.717.7000110.1G6G6-N8 PolarHBondContact O-N 3.15Å
9T52.8Low60.7Low120 Ų120119.4 Ų119.474%0.73669%0.686SS**  trans-110.996176.326.80000107.7V7V7-T9 PolarHBondContact O-N 3.19Å; V7-T9 VanDerWaalsContact O-N 3.09Å; V7-T9 PolarHBondContact O-OG1 3.48Å
10E51.2Low62.1Low132 Ų132118.6 Ų118.662%0.61768%0.683SS**  trans-65.2127.9175.3-137-168.6-166.600109.5D12E10-D12 VanDerWaalsContact C-N 3.33Å; E10-D12 PolarHBondContact O-N 3.09Å
11P58.4Low63.5Low132 Ų132120.5 Ų120.586%0.85768%0.684SS**THydrogen-bonded Turntrans-798.1-167.1-1732000117.7
12D66Low65.9Low86 Ų86117.4 Ų117.446%0.4666%0.656SS.*THydrogen-bonded Turntrans-129.411.1-167.4-163.938.2000114.9E10 E14 S15 Q16E10-D12 VanDerWaalsContact C-N 3.33Å; E10-D12 PolarHBondContact O-N 3.09Å; D12-E14 VanDerWaalsContact C-N 3.31Å; D12-E14 PolarHBondContact O-N 3.49Å; D12-S15 PolarHBondContact O-N 3.33Å; D12-S15 WeakPolarHBondContact OD1-CB 3.17Å; D12-Q16 PolarHBondContact O-N 3.24Å; D12-Q16 VanDerWaalsContact O-N 3.15Å
13W73.1Confident68.4Low155 Ų155117.4 Ų117.459%0.58764%0.644SS**Hα-helixtrans-65.1-32.6-177.868.2-91.2000112.7Q16 V17W13-Q16 PolarHBondContact O-N 2.9Å; W13-V17 HydrophobicContact CE3-CG2 4.32Å; W13-V17 WeakPolarHBondContact O-CB 3.02Å; W13-V17 WeakPolarHBondContact O-CG2 3.38Å; W13-V17 PolarHBondContact O-N 3.37Å
14E78.2Confident70.8Confident134 Ų134110.6 Ų110.663%0.62662%0.621SS**Hα-helixtrans-66.1-41.1177.9-68.7-174.1173.600112D12 V17 A18D12-E14 VanDerWaalsContact C-N 3.31Å; D12-E14 PolarHBondContact O-N 3.49Å; E14-V17 PolarHBondContact O-N 3.35Å; E14-A18 WeakPolarHBondContact O-CB 3.37Å; E14-A18 PolarHBondContact O-N 2.9Å
15S81.7Confident73.2Confident74 Ų74106.5 Ų106.552%0.51761%0.605SS.*Hα-helixtrans-68.5-40178.8-138.40000111.1D12 A18 A19D12-S15 PolarHBondContact O-N 3.33Å; D12-S15 WeakPolarHBondContact OD1-CB 3.17Å; S15-A18 PolarHBondContact O-N 2.86Å; S15-A19 WeakPolarHBondContact O-CB 3.25Å; S15-A19 PolarHBondContact O-N 2.91Å
16Q82.6Confident75.5Confident112 Ų112104.3 Ų104.352%0.52359%0.585SS.*Hα-helixtrans-63.5-42.9172.3-77.9-17913.600112.4D12 W13 A19 V20D12-Q16 PolarHBondContact O-N 3.24Å; D12-Q16 VanDerWaalsContact O-N 3.15Å; W13-Q16 PolarHBondContact O-N 2.9Å; Q16-A19 PolarHBondContact O-N 3.31Å; Q16-V20 VanDerWaalsContact O-CG2 3.25Å; Q16-V20 WeakPolarHBondContact O-CG2 3.5Å; Q16-V20 PolarHBondContact O-N 3.48Å
17V84.4Confident77.8Confident70 Ų70106.7 Ų106.742%0.42458%0.58SS.*Hα-helixtrans-64.8-42.1176.8170.80000111.1W13 E14 V20 F21W13-V17 HydrophobicContact CE3-CG2 4.32Å; W13-V17 WeakPolarHBondContact O-CB 3.02Å; W13-V17 WeakPolarHBondContact O-CG2 3.38Å; W13-V17 PolarHBondContact O-N 3.37Å; E14-V17 PolarHBondContact O-N 3.35Å; V17-V20 PolarHBondContact O-N 2.96Å; V17-F21 HydrophobicContact CG1-CD2 4.08Å; V17-F21 HydrophobicContact CG1-CE2 4.31Å; V17-F21 PolarHBondContact O-N 3.4Å
18A84.1Confident79.9Confident48 Ų48106.9 Ų106.940%0.39757%0.57SS.*Hα-helixtrans-62.1-42.4174.900000112.1E14 S15 F21 Q22E14-A18 WeakPolarHBondContact O-CB 3.37Å; E14-A18 PolarHBondContact O-N 2.9Å; S15-A18 PolarHBondContact O-N 2.86Å; A18-F21 PolarHBondContact O-N 3.42Å; A18-Q22 WeakPolarHBondContact O-CG 3.39Å; A18-Q22 PolarHBondContact O-N 2.97Å
19A86.3Confident82.3Confident36 Ų36105.1 Ų105.130%0.29856%0.557SS.*Hα-helixtrans-62.3-44.4174.600000111.7S15 Q16 F21 Q22 F23S15-A19 WeakPolarHBondContact O-CB 3.25Å; S15-A19 PolarHBondContact O-N 2.91Å; Q16-A19 PolarHBondContact O-N 3.31Å; A19-F21 VanDerWaalsContact C-N 3.32Å; A19-F21 PolarHBondContact O-N 3.43Å; A19-Q22 PolarHBondContact O-N 3.31Å; A19-F23 WeakPolarHBondContact O-CB 3.22Å; A19-F23 WeakPolarHBondContact O-CD2 3.36Å; A19-F23 PolarHBondContact O-N 2.95Å
20V88.7Confident84.4Confident103 Ų103107.9 Ų107.962%0.62455%0.554SS**Hα-helixtrans-60.4-41.1175.9169.80000111.5Q16 V17 F23 G24Q16-V20 VanDerWaalsContact O-CG2 3.25Å; Q16-V20 WeakPolarHBondContact O-CG2 3.5Å; Q16-V20 PolarHBondContact O-N 3.48Å; V17-V20 PolarHBondContact O-N 2.96Å; V20-F23 PolarHBondContact O-N 3.33Å; V20-G24 PolarHBondContact O-N 2.87Å
21F90.9Very high86.5Confident159 Ų159108.6 Ų108.670%0.69755%0.552SS**Hα-helixtrans-63.9-43.2174.5-100.8-83.8000112.6V17 A18 A19 G24 S25V17-F21 HydrophobicContact CG1-CD2 4.08Å; V17-F21 HydrophobicContact CG1-CE2 4.31Å; V17-F21 PolarHBondContact O-N 3.4Å; A18-F21 PolarHBondContact O-N 3.42Å; A19-F21 VanDerWaalsContact C-N 3.32Å; A19-F21 PolarHBondContact O-N 3.43Å; F21-G24 PolarHBondContact O-N 3.35Å; F21-S25 WeakPolarHBondContact O-CB 3.47Å; F21-S25 PolarHBondContact O-N 3.22Å
22Q90.3Very high88.2Confident125 Ų125106.9 Ų106.958%0.58453%0.533SS*.Hα-helixtrans-64.5-43.7176.8-72.4177.85.500111.8A18 A19 S25 Q26A18-Q22 WeakPolarHBondContact O-CG 3.39Å; A18-Q22 PolarHBondContact O-N 2.97Å; A19-Q22 PolarHBondContact O-N 3.31Å; Q22-S25 PolarHBondContact O-N 2.87Å; Q22-Q26 WeakPolarHBondContact O-CG 3.49Å; Q22-Q26 PolarHBondContact O-N 3.49Å
23F92.1Very high89.7Confident147 Ų147107.7 Ų107.765%0.64554%0.537SS*.Hα-helixtrans-61.6-42.5172.9-84.7-68.3000111.7A19 V20 Q26 L27A19-F23 WeakPolarHBondContact O-CB 3.22Å; A19-F23 WeakPolarHBondContact O-CD2 3.36Å; A19-F23 PolarHBondContact O-N 2.95Å; V20-F23 PolarHBondContact O-N 3.33Å; F23-Q26 PolarHBondContact O-N 2.96Å; F23-L27 VanDerWaalsContact O-CB 3.3Å; F23-L27 WeakPolarHBondContact O-CB 3.23Å; F23-L27 PolarHBondContact O-N 3.14Å
24G93.5Very high90.8Very high39 Ų39105.7 Ų105.740%0.40254%0.537SS..Hα-helixtrans-61.7-41.8175.600000113V20 F21 L27 K28V20-G24 PolarHBondContact O-N 2.87Å; F21-G24 PolarHBondContact O-N 3.35Å; G24-L27 PolarHBondContact O-N 3.45Å; G24-K28 WeakPolarHBondContact O-CB 3.4Å; G24-K28 PolarHBondContact O-N 2.94Å
25S94Very high91.7Very high77 Ų77103.4 Ų103.454%0.53853%0.527SS..Hα-helixtrans-64.2-47.1175.1-168.80000111.8F21 Q22 L27 K28 E29F21-S25 WeakPolarHBondContact O-CB 3.47Å; F21-S25 PolarHBondContact O-N 3.22Å; Q22-S25 PolarHBondContact O-N 2.87Å; S25-L27 VanDerWaalsContact C-N 3.32Å; S25-L27 PolarHBondContact O-N 3.44Å; S25-K28 PolarHBondContact O-N 2.85Å; S25-E29 PolarHBondContact O-N 3.46Å
26Q94.9Very high92.4Very high89 Ų89103.2 Ų103.242%0.41652%0.517SS..Hα-helixtrans-63.4-37.9176.8-73.1178.133.200112.1Q22 F23 R30Q22-Q26 WeakPolarHBondContact O-CG 3.49Å; Q22-Q26 PolarHBondContact O-N 3.49Å; F23-Q26 PolarHBondContact O-N 2.96Å; Q26-R30 WeakPolarHBondContact O-CB 3.3Å; Q26-R30 VanDerWaalsContact O-CG 3.23Å; Q26-R30 WeakPolarHBondContact O-CG 3.34Å; Q26-R30 PolarHBondContact O-N 3.4Å
27L95.9Very high93.1Very high123 Ų12399.5 Ų99.564%0.64451%0.51SS*.Hα-helixtrans-68.1-41177.6-17366000111.5F23 G24 S25 R30 Y31F23-L27 VanDerWaalsContact O-CB 3.3Å; F23-L27 WeakPolarHBondContact O-CB 3.23Å; F23-L27 PolarHBondContact O-N 3.14Å; G24-L27 PolarHBondContact O-N 3.45Å; S25-L27 VanDerWaalsContact C-N 3.32Å; S25-L27 PolarHBondContact O-N 3.44Å; L27-R30 PolarHBondContact O-N 3.46Å; L27-Y31 WeakPolarHBondContact O-CB 3.36Å; L27-Y31 PolarHBondContact O-N 3.33Å
28K94.7Very high93.6Very high131 Ų131100.4 Ų100.457%0.5751%0.511SS*.Hα-helixtrans-60.8-48.1174.7-176.9-178.2174.1-172.60111.2G24 S25 R30 Y31 E32G24-K28 WeakPolarHBondContact O-CB 3.4Å; G24-K28 PolarHBondContact O-N 2.94Å; S25-K28 PolarHBondContact O-N 2.85Å; K28-R30 PolarHBondContact O-N 2.98Å; K28-Y31 PolarHBondContact O-N 3.45Å; K28-E32 WeakPolarHBondContact CE-OE1 3.38Å; K28-E32 IonicContact NZ-OE1 3.77Å; K28-E32 WeakPolarHBondContact O-CG 3.38Å; K28-E32 PolarHBondContact O-N 2.92Å
29E95.3Very high94.3Very high115 Ų115103.7 Ų103.754%0.53751%0.513SS..Hα-helixtrans-61.5-42.6176.9-175.3-180-167.700111.7S25 Y31 E32 N33S25-E29 PolarHBondContact O-N 3.46Å; E29-Y31 VanDerWaalsContact C-N 3.34Å; E29-Y31 PolarHBondContact O-N 3.37Å; E29-E32 PolarHBondContact O-N 2.95Å; E29-N33 WeakPolarHBondContact O-CB 3.36Å; E29-N33 VanDerWaalsContact O-CG 3.29Å; E29-N33 PolarHBondContact O-N 3.18Å; E29-N33 PolarHBondContact O-ND2 2.95Å; E29-N33 VanDerWaalsContact O-ND2 3.14Å
30R95.5Very high94.8Very high178 Ų178107.3 Ų107.367%0.67252%0.524SS*.Hα-helixtrans-61.5-40.6174-75.4175.8-175-162.24.1112.3Q26 L27 K28 L34Q26-R30 WeakPolarHBondContact O-CB 3.3Å; Q26-R30 VanDerWaalsContact O-CG 3.23Å; Q26-R30 WeakPolarHBondContact O-CG 3.34Å; Q26-R30 PolarHBondContact O-N 3.4Å; L27-R30 PolarHBondContact O-N 3.46Å; K28-R30 PolarHBondContact O-N 2.98Å; R30-L34 WeakPolarHBondContact O-CB 3.36Å; R30-L34 PolarHBondContact O-N 3.16Å
31Y95.1Very high95.1Very high148 Ų148107.9 Ų107.958%0.5852%0.52SS*.Hα-helixtrans-67.4-43.8177.5-178.5-94000111.9L27 K28 E29 L34 Q35L27-Y31 WeakPolarHBondContact O-CB 3.36Å; L27-Y31 PolarHBondContact O-N 3.33Å; K28-Y31 PolarHBondContact O-N 3.45Å; E29-Y31 VanDerWaalsContact C-N 3.34Å; E29-Y31 PolarHBondContact O-N 3.37Å; Y31-L34 PolarHBondContact O-N 3.25Å; Y31-Q35 WeakPolarHBondContact O-CB 3Å; Y31-Q35 PolarHBondContact O-N 2.89Å
32E95.9Very high95.5Very high95 Ų95105.4 Ų105.444%0.44451%0.51SS..Hα-helixtrans-62.3-43.9176.2-73.6173.2171.700111.6K28 E29 Q35 E36K28-E32 WeakPolarHBondContact CE-OE1 3.38Å; K28-E32 IonicContact NZ-OE1 3.77Å; K28-E32 WeakPolarHBondContact O-CG 3.38Å; K28-E32 PolarHBondContact O-N 2.92Å; E29-E32 PolarHBondContact O-N 2.95Å; E32-Q35 PolarHBondContact O-N 2.97Å; E32-E36 WeakPolarHBondContact O-CB 3.34Å; E32-E36 PolarHBondContact O-N 3.28Å
33N96.3Very high95.8Very high104 Ų104102 Ų10256%0.55650%0.504SS*.Hα-helixtrans-63-41.1174.6-76.5-34.3000112.4E29 E36 G37E29-N33 WeakPolarHBondContact O-CB 3.36Å; E29-N33 VanDerWaalsContact O-CG 3.29Å; E29-N33 PolarHBondContact O-N 3.18Å; E29-N33 PolarHBondContact O-ND2 2.95Å; E29-N33 VanDerWaalsContact O-ND2 3.14Å; N33-E36 PolarHBondContact O-N 2.88Å; N33-G37 PolarHBondContact O-N 2.86Å
34L96.7Very high96.1Very high112 Ų112100 Ų10059%0.58650%0.499SS*.Hα-helixtrans-64-43175.3-177.264.7000111.2R30 Y31 G37 I38R30-L34 WeakPolarHBondContact O-CB 3.36Å; R30-L34 PolarHBondContact O-N 3.16Å; Y31-L34 PolarHBondContact O-N 3.25Å; L34-G37 PolarHBondContact O-N 3.34Å; L34-I38 HydrophobicContact CG-CD1 4.26Å; L34-I38 WeakPolarHBondContact O-CG1 3.43Å; L34-I38 PolarHBondContact O-N 2.91Å
35Q96.4Very high96.3Very high86 Ų86102.5 Ų102.540%0.40250%0.503SS..Hα-helixtrans-67.6-35.7179.1-167.8178.4-26.300112.1Y31 E32 R39Y31-Q35 WeakPolarHBondContact O-CB 3Å; Y31-Q35 PolarHBondContact O-N 2.89Å; E32-Q35 PolarHBondContact O-N 2.97Å; Q35-R39 WeakPolarHBondContact O-CG 3.37Å; Q35-R39 PolarHBondContact O-N 3.17Å; Q35-R39 VanDerWaalsContact O-N 3.09Å
36E96.4Very high96.5Very high70 Ų70105.3 Ų105.333%0.32751%0.507SS..Hα-helixtrans-64.6-44.3170.1-175.860.7-136.700111.3E32 N33 I38 R39 Q40E32-E36 WeakPolarHBondContact O-CB 3.34Å; E32-E36 PolarHBondContact O-N 3.28Å; N33-E36 PolarHBondContact O-N 2.88Å; E36-I38 VanDerWaalsContact C-N 3.34Å; E36-I38 PolarHBondContact O-N 3.41Å; E36-R39 PolarHBondContact O-N 2.87Å; E36-R39 IonicContact OE1-NH1 2.7Å; E36-R39 IonicContact OE2-CZ 3.95Å; E36-R39 IonicContact OE2-NH1 2.97Å; E36-R39 PolarHBondContact OE2-NH1 2.93Å; E36-R39 IonicContact OE2-NH2 3.92Å; E36-R39 PolarHBondContact OE2-NH2 3.09Å; E36-Q40 WeakPolarHBondContact O-CG 3.46Å; E36-Q40 PolarHBondContact O-N 3.3Å; E36-Q40 PolarHBondContact OE1-NE2 2.97Å; E36-Q40 VanDerWaalsContact OE1-NE2 3.16Å
37G97Very high96.6Very high35 Ų35107.9 Ų107.936%0.36152%0.517SS..Hα-helixtrans-59.7-40.8174.800000113.4N33 L34 Q40 H41N33-G37 PolarHBondContact O-N 2.86Å; L34-G37 PolarHBondContact O-N 3.34Å; G37-Q40 PolarHBondContact O-N 2.88Å; G37-H41 WeakPolarHBondContact O-CB 3.34Å; G37-H41 PolarHBondContact O-N 3.44Å
38I96.6Very high96.7Very high88 Ų88107.3 Ų107.345%0.45151%0.514SS..Hα-helixtrans-63.1-44174.4-68.8165.8000110.9L34 E36 H41 Q42L34-I38 HydrophobicContact CG-CD1 4.26Å; L34-I38 WeakPolarHBondContact O-CG1 3.43Å; L34-I38 PolarHBondContact O-N 2.91Å; E36-I38 VanDerWaalsContact C-N 3.34Å; E36-I38 PolarHBondContact O-N 3.41Å; I38-H41 PolarHBondContact O-N 2.72Å; I38-Q42 WeakPolarHBondContact O-CG 3.5Å; I38-Q42 PolarHBondContact O-N 2.91Å
39R96.9Very high96.9Very high118 Ų118107.4 Ų107.445%0.44552%0.516SS..Hα-helixtrans-63.1-43.8177.1-79-174.8-80.6125.6-0.7112.1Q35 E36 Q42 A43Q35-R39 WeakPolarHBondContact O-CG 3.37Å; Q35-R39 PolarHBondContact O-N 3.17Å; Q35-R39 VanDerWaalsContact O-N 3.09Å; E36-R39 PolarHBondContact O-N 2.87Å; E36-R39 IonicContact OE1-NH1 2.7Å; E36-R39 IonicContact OE2-CZ 3.95Å; E36-R39 IonicContact OE2-NH1 2.97Å; E36-R39 PolarHBondContact OE2-NH1 2.93Å; E36-R39 IonicContact OE2-NH2 3.92Å; E36-R39 PolarHBondContact OE2-NH2 3.09Å; R39-Q42 PolarHBondContact O-N 2.68Å; R39-A43 WeakPolarHBondContact O-CB 3.35Å; R39-A43 PolarHBondContact O-N 3.36Å
40Q96.8Very high97Very high111 Ų111104.3 Ų104.352%0.51951%0.508SS..Hα-helixtrans-63.8-41.6176-70.6175.67.900111.8E36 G37 A43 L44E36-Q40 WeakPolarHBondContact O-CG 3.46Å; E36-Q40 PolarHBondContact O-N 3.3Å; E36-Q40 PolarHBondContact OE1-NE2 2.97Å; E36-Q40 VanDerWaalsContact OE1-NE2 3.16Å; G37-Q40 PolarHBondContact O-N 2.88Å; Q40-A43 PolarHBondContact O-N 3.04Å; Q40-L44 WeakPolarHBondContact O-CG 3.49Å; Q40-L44 PolarHBondContact O-N 3.37Å
41H97Very high97.1Very high115 Ų115100.4 Ų100.453%0.53250%0.5SS..Hα-helixtrans-63.1-44175.8-171.571.4000111.9G37 I38 L44 L45G37-H41 WeakPolarHBondContact O-CB 3.34Å; G37-H41 PolarHBondContact O-N 3.44Å; I38-H41 PolarHBondContact O-N 2.72Å; H41-L44 PolarHBondContact O-N 3.21Å; H41-L45 WeakPolarHBondContact O-CG 3.36Å; H41-L45 PolarHBondContact O-N 3.38Å
42Q97.5Very high97.3Very high108 Ų108101.5 Ų101.551%0.50550%0.503SS..Hα-helixtrans-59.2-46.9173.8-80.6175.2-25.300112I38 R39 L44 L45 E46I38-Q42 WeakPolarHBondContact O-CG 3.5Å; I38-Q42 PolarHBondContact O-N 2.91Å; R39-Q42 PolarHBondContact O-N 2.68Å; Q42-L44 VanDerWaalsContact C-N 3.28Å; Q42-L44 PolarHBondContact O-N 2.9Å; Q42-L45 PolarHBondContact O-N 2.9Å; Q42-L45 VanDerWaalsContact O-N 3.14Å; Q42-E46 PolarHBondContact O-N 3.32Å
43A97.8Very high97.4Very high54 Ų54100.9 Ų100.945%0.44651%0.505SS..Hα-helixtrans-61.2-35.9177.100000112.7R39 Q40 K47R39-A43 WeakPolarHBondContact O-CB 3.35Å; R39-A43 PolarHBondContact O-N 3.36Å; Q40-A43 PolarHBondContact O-N 3.04Å; A43-K47 WeakPolarHBondContact O-CB 3.34Å; A43-K47 PolarHBondContact O-N 2.89Å
44L97.9Very high97.5Very high105 Ų105101.7 Ų101.755%0.5550%0.504SS..Hα-helixtrans-67.5-41.4174.4-74.8172.6000112.2Q40 H41 Q42 K47 L48Q40-L44 WeakPolarHBondContact O-CG 3.49Å; Q40-L44 PolarHBondContact O-N 3.37Å; H41-L44 PolarHBondContact O-N 3.21Å; Q42-L44 VanDerWaalsContact C-N 3.28Å; Q42-L44 PolarHBondContact O-N 2.9Å; L44-K47 PolarHBondContact O-N 2.98Å; L44-L48 WeakPolarHBondContact O-CB 3.41Å; L44-L48 WeakPolarHBondContact O-CG 3.42Å; L44-L48 PolarHBondContact O-N 2.96Å
45L97.6Very high97.5Very high90 Ų90102.4 Ų102.447%0.47151%0.507SS..Hα-helixtrans-62.6-46.4176.3-70.7175.6000111.5H41 Q42 K47 L48 E49H41-L45 WeakPolarHBondContact O-CG 3.36Å; H41-L45 PolarHBondContact O-N 3.38Å; Q42-L45 PolarHBondContact O-N 2.9Å; Q42-L45 VanDerWaalsContact O-N 3.14Å; L45-K47 VanDerWaalsContact C-N 3.3Å; L45-K47 PolarHBondContact O-N 3.14Å; L45-L48 PolarHBondContact O-N 3.37Å; L45-E49 PolarHBondContact O-N 2.99Å
46E97.8Very high97.6Very high137 Ų137103.7 Ų103.764%0.6451%0.513SS*.Hα-helixtrans-59.9-40.5175.3-71.8178.1179.300111.9Q42 E49 S50Q42-E46 PolarHBondContact O-N 3.32Å; E46-E49 PolarHBondContact O-N 3.47Å; E46-S50 WeakPolarHBondContact O-CB 3.34Å; E46-S50 PolarHBondContact O-N 3.32Å
47K98.2Very high97.6Very high142 Ų142109.2 Ų109.262%0.61753%0.532SS*.Hα-helixtrans-66.6-40.1177.2-166.9173.4-175.6178.50112A43 L44 L45 S50 L51A43-K47 WeakPolarHBondContact O-CB 3.34Å; A43-K47 PolarHBondContact O-N 2.89Å; L44-K47 PolarHBondContact O-N 2.98Å; L45-K47 VanDerWaalsContact C-N 3.3Å; L45-K47 PolarHBondContact O-N 3.14Å; K47-S50 PolarHBondContact O-N 3.33Å; K47-L51 WeakPolarHBondContact O-CB 3.44Å; K47-L51 WeakPolarHBondContact O-CG 3.4Å; K47-L51 PolarHBondContact O-N 3.24Å
48L97.9Very high97.7Very high111 Ų111111.8 Ų111.858%0.58154%0.537SS*.Hα-helixtrans-64.1-42.4174.6-76.7171.3000111.5L44 L45 L51 R52L44-L48 WeakPolarHBondContact O-CB 3.41Å; L44-L48 WeakPolarHBondContact O-CG 3.42Å; L44-L48 PolarHBondContact O-N 2.96Å; L45-L48 PolarHBondContact O-N 3.37Å; L48-L51 PolarHBondContact O-N 3.08Å; L48-R52 WeakPolarHBondContact O-CB 3.48Å; L48-R52 PolarHBondContact O-N 2.95Å
49E97.9Very high97.8Very high133 Ų133116 Ų11662%0.62155%0.547SS*.Hα-helixtrans-64.9-43.9176-171.7167.9-157.900111.6L45 E46 L51 R52 V53L45-E49 PolarHBondContact O-N 2.99Å; E46-E49 PolarHBondContact O-N 3.47Å; E49-L51 VanDerWaalsContact C-N 3.33Å; E49-L51 PolarHBondContact O-N 3.35Å; E49-R52 WeakPolarHBondContact O-CB 3.45Å; E49-R52 PolarHBondContact O-N 3.01Å; E49-V53 WeakPolarHBondContact O-CG2 3.46Å; E49-V53 PolarHBondContact O-N 3.49Å
50S98.1Very high97.8Very high51 Ų51113.3 Ų113.336%0.35755%0.55SS.*Hα-helixtrans-57.9-44.2173.6-1740000112.2E46 K47 V53 K54E46-S50 WeakPolarHBondContact O-CB 3.34Å; E46-S50 PolarHBondContact O-N 3.32Å; K47-S50 PolarHBondContact O-N 3.33Å; S50-V53 PolarHBondContact O-N 3.36Å; S50-K54 WeakPolarHBondContact O-CB 3.4Å; S50-K54 VanDerWaalsContact O-CG 3.26Å; S50-K54 WeakPolarHBondContact O-CG 3.37Å; S50-K54 PolarHBondContact O-N 2.96Å
51L98.1Very high97.9Very high96 Ų96111.1 Ų111.150%0.50354%0.54SS..Hα-helixtrans-65.3-41.4176.5-76.9170.9000111.8K47 L48 E49 K54 L55K47-L51 WeakPolarHBondContact O-CB 3.44Å; K47-L51 WeakPolarHBondContact O-CG 3.4Å; K47-L51 PolarHBondContact O-N 3.24Å; L48-L51 PolarHBondContact O-N 3.08Å; E49-L51 VanDerWaalsContact C-N 3.33Å; E49-L51 PolarHBondContact O-N 3.35Å; L51-K54 PolarHBondContact O-N 3.5Å; L51-L55 WeakPolarHBondContact O-CB 3.3Å; L51-L55 PolarHBondContact O-N 2.91Å
52R97.9Very high97.9Very high171 Ų171112 Ų11265%0.64554%0.544SS*.Hα-helixtrans-59.5-48.6175.8179.1-179.1175.71640.1111.2L48 E49 L55 Q56L48-R52 WeakPolarHBondContact O-CB 3.48Å; L48-R52 PolarHBondContact O-N 2.95Å; E49-R52 WeakPolarHBondContact O-CB 3.45Å; E49-R52 PolarHBondContact O-N 3.01Å; R52-L55 PolarHBondContact O-N 3.19Å; R52-Q56 WeakPolarHBondContact O-CG 3.37Å; R52-Q56 PolarHBondContact O-N 3.39Å
53V98.3Very high98Very high82 Ų82111 Ų11150%0.49754%0.539SS..Hα-helixtrans-63.6-42.4178.4172.90000110.9E49 S50 L55 Q56 R57E49-V53 WeakPolarHBondContact O-CG2 3.46Å; E49-V53 PolarHBondContact O-N 3.49Å; S50-V53 PolarHBondContact O-N 3.36Å; V53-L55 PolarHBondContact O-N 3.34Å; V53-Q56 PolarHBondContact O-N 3.09Å; V53-R57 WeakPolarHBondContact O-CB 3.48Å; V53-R57 PolarHBondContact O-N 3.49Å
54K97.9Very high98Very high121 Ų121115.6 Ų115.653%0.52655%0.545SS..Hα-helixtrans-60.3-45.3176-77.3171.1-177.2171.40112.2S50 L51 R57 N58S50-K54 WeakPolarHBondContact O-CB 3.4Å; S50-K54 VanDerWaalsContact O-CG 3.26Å; S50-K54 WeakPolarHBondContact O-CG 3.37Å; S50-K54 PolarHBondContact O-N 2.96Å; L51-K54 PolarHBondContact O-N 3.5Å; K54-R57 PolarHBondContact O-N 2.91Å; K54-N58 PolarHBondContact O-N 3.48Å
55L97.9Very high98Very high126 Ų126113.9 Ų113.966%0.6654%0.536SS*.Hα-helixtrans-63.3-44177.2-177.865.4000111.4L51 R52 V53 R57 N58 R59L51-L55 WeakPolarHBondContact O-CB 3.3Å; L51-L55 PolarHBondContact O-N 2.91Å; R52-L55 PolarHBondContact O-N 3.19Å; V53-L55 PolarHBondContact O-N 3.34Å; L55-R57 PolarHBondContact O-N 2.95Å; L55-N58 PolarHBondContact O-N 3.39Å; L55-R59 PolarHBondContact O-N 2.86Å
56Q97.6Very high98.1Very high113 Ų113116.4 Ų116.453%0.52854%0.54SS..Hα-helixtrans-61.5-43.1176.3-76.1-173.5-3400112.2R52 V53 R59 A60R52-Q56 WeakPolarHBondContact O-CG 3.37Å; R52-Q56 PolarHBondContact O-N 3.39Å; V53-Q56 PolarHBondContact O-N 3.09Å; Q56-R59 PolarHBondContact O-N 2.88Å; Q56-A60 WeakPolarHBondContact O-CB 3.43Å; Q56-A60 PolarHBondContact O-N 3.36Å
57R98Very high98.1Very high187 Ų187114.9 Ų114.971%0.70654%0.536SS*.Hα-helixtrans-61.1-46.3175.2174179.7153169.3-4.4111.8V53 K54 L55 R59 A60 E61V53-R57 WeakPolarHBondContact O-CB 3.48Å; V53-R57 PolarHBondContact O-N 3.49Å; K54-R57 PolarHBondContact O-N 2.91Å; L55-R57 PolarHBondContact O-N 2.95Å; R57-R59 VanDerWaalsContact C-N 3.32Å; R57-R59 PolarHBondContact O-N 3.23Å; R57-A60 PolarHBondContact O-N 3.04Å; R57-E61 VanDerWaalsContact O-CB 3.29Å; R57-E61 WeakPolarHBondContact O-CB 3.45Å; R57-E61 PolarHBondContact O-N 3.21Å
58N97.8Very high98.1Very high89 Ų89110.8 Ų110.848%0.47653%0.528SS..Hα-helixtrans-61.4-42.7178.8-72.6-10.1000111.4K54 L55 A60 E61 E62K54-N58 PolarHBondContact O-N 3.48Å; L55-N58 PolarHBondContact O-N 3.39Å; N58-A60 PolarHBondContact O-N 3.35Å; N58-E61 WeakPolarHBondContact O-CB 3.33Å; N58-E61 PolarHBondContact O-N 3.45Å; N58-E62 WeakPolarHBondContact O-CG 3.36Å; N58-E62 PolarHBondContact O-N 3.44Å
59R98.1Very high98.2Very high177 Ų177112.5 Ų112.567%0.66853%0.531SS*.Hα-helixtrans-62.2-44175.7-172.4176-176.6161.61.7112.4L55 Q56 R57 E61 E62 E63L55-R59 PolarHBondContact O-N 2.86Å; Q56-R59 PolarHBondContact O-N 2.88Å; R57-R59 VanDerWaalsContact C-N 3.32Å; R57-R59 PolarHBondContact O-N 3.23Å; R59-E61 VanDerWaalsContact C-N 3.31Å; R59-E61 PolarHBondContact O-N 3.24Å; R59-E62 PolarHBondContact O-N 3.44Å; R59-E63 WeakPolarHBondContact O-CG 3.26Å; R59-E63 PolarHBondContact O-N 2.9Å
60A98.1Very high98.2Very high61 Ų61110 Ų11050%0.50452%0.519SS..Hα-helixtrans-64.9-37.6176.900000112.1Q56 R57 N58 E63 R64Q56-A60 WeakPolarHBondContact O-CB 3.43Å; Q56-A60 PolarHBondContact O-N 3.36Å; R57-A60 PolarHBondContact O-N 3.04Å; N58-A60 PolarHBondContact O-N 3.35Å; A60-E63 PolarHBondContact O-N 3.06Å; A60-R64 WeakPolarHBondContact O-CB 3.41Å; A60-R64 PolarHBondContact O-N 3.48Å
61E98.2Very high98.2Very high65 Ų65113.6 Ų113.630%0.30453%0.534SS..Hα-helixtrans-65.1-42.9176.1-178.658-141.100111.7R57 N58 R59 R64 N65R57-E61 VanDerWaalsContact O-CB 3.29Å; R57-E61 WeakPolarHBondContact O-CB 3.45Å; R57-E61 PolarHBondContact O-N 3.21Å; N58-E61 WeakPolarHBondContact O-CB 3.33Å; N58-E61 PolarHBondContact O-N 3.45Å; R59-E61 VanDerWaalsContact C-N 3.31Å; R59-E61 PolarHBondContact O-N 3.24Å; E61-R64 PolarHBondContact O-N 2.82Å; E61-R64 IonicContact OE1-CZ 3.29Å; E61-R64 IonicContact OE1-NE 3.73Å; E61-R64 PolarHBondContact OE1-NE 2.85Å; E61-R64 IonicContact OE1-NH2 3.22Å; E61-R64 PolarHBondContact OE1-NH2 3.39Å; E61-R64 IonicContact OE2-CZ 2.64Å; E61-R64 IonicContact OE2-NE 3.21Å; E61-R64 PolarHBondContact OE2-NE 2.93Å; E61-R64 IonicContact OE2-NH1 2.87Å; E61-R64 IonicContact OE2-NH2 2.72Å; E61-R64 PolarHBondContact OE2-NH2 3Å; E61-N65 WeakPolarHBondContact O-CB 3.47Å; E61-N65 PolarHBondContact O-N 3.29Å; E61-N65 PolarHBondContact O-ND2 3.42Å; E61-N65 VanDerWaalsContact O-ND2 3.07Å; E61-N65 PolarHBondContact OE1-ND2 3Å; E61-N65 PolarHBondContact OE1-OD1 3.47Å
62E98.3Very high98.2Very high133 Ų133113.8 Ų113.862%0.62153%0.532SS*.Hα-helixtrans-61.5-47.2174.3-74.2169-173.200112N58 R59 R64 N65 R66N58-E62 WeakPolarHBondContact O-CG 3.36Å; N58-E62 PolarHBondContact O-N 3.44Å; R59-E62 PolarHBondContact O-N 3.44Å; E62-R64 PolarHBondContact O-N 3.07Å; E62-N65 PolarHBondContact O-N 3.46Å; E62-R66 WeakPolarHBondContact O-CB 3.33Å; E62-R66 PolarHBondContact O-N 3.45Å
63E98.3Very high98.3Very high86 Ų86110.3 Ų110.340%0.40252%0.523SS..Hα-helixtrans-62.8-41.3176.2-70.7-62.6159.800111.9R59 A60 N65 R66 L67R59-E63 WeakPolarHBondContact O-CG 3.26Å; R59-E63 PolarHBondContact O-N 2.9Å; A60-E63 PolarHBondContact O-N 3.06Å; E63-N65 VanDerWaalsContact C-N 3.34Å; E63-N65 PolarHBondContact O-N 3.08Å; E63-R66 WeakPolarHBondContact O-CB 3.5Å; E63-R66 PolarHBondContact O-N 2.92Å; E63-L67 WeakPolarHBondContact O-CG 3.46Å; E63-L67 PolarHBondContact O-N 3.37Å
64R98.4Very high98.3Very high151 Ų151109.2 Ų109.257%0.5752%0.519SS*.Hα-helixtrans-59-46.6174.6-174.6-171.673.9164.35.1111.3A60 E61 E62 R66 L67 A68A60-R64 WeakPolarHBondContact O-CB 3.41Å; A60-R64 PolarHBondContact O-N 3.48Å; E61-R64 PolarHBondContact O-N 2.82Å; E61-R64 IonicContact OE1-CZ 3.29Å; E61-R64 IonicContact OE1-NE 3.73Å; E61-R64 PolarHBondContact OE1-NE 2.85Å; E61-R64 IonicContact OE1-NH2 3.22Å; E61-R64 PolarHBondContact OE1-NH2 3.39Å; E61-R64 IonicContact OE2-CZ 2.64Å; E61-R64 IonicContact OE2-NE 3.21Å; E61-R64 PolarHBondContact OE2-NE 2.93Å; E61-R64 IonicContact OE2-NH1 2.87Å; E61-R64 IonicContact OE2-NH2 2.72Å; E61-R64 PolarHBondContact OE2-NH2 3Å; E62-R64 PolarHBondContact O-N 3.07Å; R64-R66 VanDerWaalsContact C-N 3.3Å; R64-R66 PolarHBondContact O-N 3.41Å; R64-L67 PolarHBondContact O-N 3.3Å; R64-A68 WeakPolarHBondContact O-CB 3.43Å; R64-A68 PolarHBondContact O-N 2.99Å
65N98.5Very high98.3Very high69 Ų69108.1 Ų108.137%0.36952%0.519SS..Hα-helixtrans-67.4-33.3-179.7-69.9-28.3000112.1E61 E62 E63 K69E61-N65 WeakPolarHBondContact O-CB 3.47Å; E61-N65 PolarHBondContact O-N 3.29Å; E61-N65 PolarHBondContact O-ND2 3.42Å; E61-N65 VanDerWaalsContact O-ND2 3.07Å; E61-N65 PolarHBondContact OE1-ND2 3Å; E61-N65 PolarHBondContact OE1-OD1 3.47Å; E62-N65 PolarHBondContact O-N 3.46Å; E63-N65 VanDerWaalsContact C-N 3.34Å; E63-N65 PolarHBondContact O-N 3.08Å; N65-K69 WeakPolarHBondContact O-CG 3.42Å; N65-K69 PolarHBondContact O-N 3.45Å
66R98.6Very high98.3Very high144 Ų144109 Ų10954%0.54351%0.514SS..Hα-helixtrans-64.8-53.1172.7-179.2-174.3170.5179.32.2111.4E62 E63 R64 A68 K69 E70E62-R66 WeakPolarHBondContact O-CB 3.33Å; E62-R66 PolarHBondContact O-N 3.45Å; E63-R66 WeakPolarHBondContact O-CB 3.5Å; E63-R66 PolarHBondContact O-N 2.92Å; R64-R66 VanDerWaalsContact C-N 3.3Å; R64-R66 PolarHBondContact O-N 3.41Å; R66-A68 VanDerWaalsContact C-N 3.26Å; R66-A68 PolarHBondContact O-N 3.27Å; R66-K69 PolarHBondContact O-N 3.49Å; R66-K69 VanDerWaalsContact O-N 3.12Å; R66-E70 IonicContact CZ-OE1 3.94Å; R66-E70 IonicContact NE-OE1 3.08Å; R66-E70 PolarHBondContact NE-OE1 2.96Å; R66-E70 IonicContact NH2-OE1 3.95Å; R66-E70 PolarHBondContact O-N 2.97Å
67L98.4Very high98.4Very high105 Ų105109 Ų10955%0.5551%0.512SS..Hα-helixtrans-60.7-37.3179.4-69.6173.5000111.9E63 R64 K69 E70 L71E63-L67 WeakPolarHBondContact O-CG 3.46Å; E63-L67 PolarHBondContact O-N 3.37Å; R64-L67 PolarHBondContact O-N 3.3Å; L67-K69 VanDerWaalsContact C-N 3.34Å; L67-K69 PolarHBondContact O-N 2.92Å; L67-E70 PolarHBondContact O-N 3.28Å; L67-L71 WeakPolarHBondContact O-CB 3.35Å; L67-L71 PolarHBondContact O-N 3.49Å
68A98.4Very high98.4Very high55 Ų55105.7 Ų105.746%0.45551%0.507SS..Hα-helixtrans-60.3-42.4175.300000112.2R64 R66 L71 E72R64-A68 WeakPolarHBondContact O-CB 3.43Å; R64-A68 PolarHBondContact O-N 2.99Å; R66-A68 VanDerWaalsContact C-N 3.26Å; R66-A68 PolarHBondContact O-N 3.27Å; A68-L71 PolarHBondContact O-N 3.46Å; A68-E72 WeakPolarHBondContact O-CB 3.42Å; A68-E72 PolarHBondContact O-N 2.88Å
69K98.6Very high98.4Very high147 Ų147104 Ų10464%0.63950%0.502SS*.Hα-helixtrans-66.7-41.4175.8-71.6175.4-179-179.20112.3N65 R66 L67 L71 E72 E73N65-K69 WeakPolarHBondContact O-CG 3.42Å; N65-K69 PolarHBondContact O-N 3.45Å; R66-K69 PolarHBondContact O-N 3.49Å; R66-K69 VanDerWaalsContact O-N 3.12Å; L67-K69 VanDerWaalsContact C-N 3.34Å; L67-K69 PolarHBondContact O-N 2.92Å; K69-L71 VanDerWaalsContact C-N 3.32Å; K69-E72 PolarHBondContact O-N 3.5Å; K69-E73 WeakPolarHBondContact O-CB 3.37Å; K69-E73 PolarHBondContact O-N 3.05Å
70E98.5Very high98.4Very high81 Ų8198.1 Ų98.138%0.37949%0.492SS..Hα-helixtrans-64-39177.5-70.7176.6-170.300111.3R66 L67 S74R66-E70 IonicContact CZ-OE1 3.94Å; R66-E70 IonicContact NE-OE1 3.08Å; R66-E70 PolarHBondContact NE-OE1 2.96Å; R66-E70 IonicContact NH2-OE1 3.95Å; R66-E70 PolarHBondContact O-N 2.97Å; L67-E70 PolarHBondContact O-N 3.28Å; E70-S74 WeakPolarHBondContact O-CB 3.37Å; E70-S74 PolarHBondContact O-N 2.93Å; E70-S74 PolarHBondContact O-OG 3.5Å
71L98.5Very high98.4Very high127 Ų127100.2 Ų100.267%0.66549%0.494SS*.Hα-helixtrans-66-45.6174.5-17663.5000111.4L67 A68 K69 E73 S74 D75L67-L71 WeakPolarHBondContact O-CB 3.35Å; L67-L71 PolarHBondContact O-N 3.49Å; A68-L71 PolarHBondContact O-N 3.46Å; K69-L71 VanDerWaalsContact C-N 3.32Å; L71-E73 PolarHBondContact O-N 2.88Å; L71-S74 PolarHBondContact O-N 3.44Å; L71-D75 WeakPolarHBondContact O-CB 3.47Å; L71-D75 PolarHBondContact O-N 3.39Å
72E98.4Very high98.4Very high99 Ų99100.5 Ų100.546%0.46350%0.503SS..Hα-helixtrans-62.9-41.3177.9-167.1-174.8-178.400111.7A68 K69 S74 D75 R76A68-E72 WeakPolarHBondContact O-CB 3.42Å; A68-E72 PolarHBondContact O-N 2.88Å; K69-E72 PolarHBondContact O-N 3.5Å; E72-S74 VanDerWaalsContact C-N 3.35Å; E72-D75 PolarHBondContact O-N 2.9Å; E72-R76 WeakPolarHBondContact O-CB 3.32Å; E72-R76 VanDerWaalsContact O-CG 3.26Å; E72-R76 WeakPolarHBondContact O-CG 3.47Å; E72-R76 PolarHBondContact O-N 2.88Å; E72-R76 IonicContact OE1-CZ 2.68Å; E72-R76 IonicContact OE1-NE 2.92Å; E72-R76 IonicContact OE1-NH2 3.5Å; E72-R76 PolarHBondContact OE1-NH2 3.22Å; E72-R76 IonicContact OE2-NH2 3.64Å; E72-R76 PolarHBondContact OE2-NH2 2.89Å
73E98.6Very high98.4Very high98 Ų98100 Ų10046%0.45850%0.501SS..Hα-helixtrans-65-39.8174.8-170.7-174.815700111.9K69 L71 K77K69-E73 WeakPolarHBondContact O-CB 3.37Å; K69-E73 PolarHBondContact O-N 3.05Å; L71-E73 PolarHBondContact O-N 2.88Å; E73-K77 WeakPolarHBondContact O-CG 3.42Å; E73-K77 PolarHBondContact O-N 3.23Å; E73-K77 WeakPolarHBondContact OE1-CE 3.33Å; E73-K77 IonicContact OE1-NZ 3.82Å; E73-K77 PolarHBondContact OE1-NZ 3.41Å
74S98.3Very high98.4Very high60 Ų60101.5 Ų101.542%0.4251%0.508SS..Hα-helixtrans-66.2-42.5177-59.40000111.5E70 L71 E72 K77 L78E70-S74 WeakPolarHBondContact O-CB 3.37Å; E70-S74 PolarHBondContact O-N 2.93Å; E70-S74 PolarHBondContact O-OG 3.5Å; L71-S74 PolarHBondContact O-N 3.44Å; E72-S74 VanDerWaalsContact C-N 3.35Å; S74-K77 PolarHBondContact O-N 3.18Å; S74-L78 WeakPolarHBondContact O-CG 3.39Å; S74-L78 PolarHBondContact O-N 3.25Å
75D98.4Very high98.4Very high98 Ų98100 Ų10052%0.52451%0.508SS..Hα-helixtrans-60.6-48.3175.3-172.666.2000111L71 E72 K77 L78 S79L71-D75 WeakPolarHBondContact O-CB 3.47Å; L71-D75 PolarHBondContact O-N 3.39Å; E72-D75 PolarHBondContact O-N 2.9Å; D75-K77 VanDerWaalsContact C-N 3.31Å; D75-K77 PolarHBondContact O-N 3.16Å; D75-L78 WeakPolarHBondContact O-CB 3.44Å; D75-L78 PolarHBondContact O-N 2.91Å; D75-L78 VanDerWaalsContact O-N 3.1Å; D75-S79 PolarHBondContact O-N 3.35Å; D75-S79 PolarHBondContact O-OG 2.84Å
76R98.7Very high98.4Very high144 Ų14499 Ų9954%0.54351%0.506SS..Hα-helixtrans-57.2-41.8174.5-71.2176.6-160.8154.5-0.1112.7E72 S79 A80E72-R76 WeakPolarHBondContact O-CB 3.32Å; E72-R76 VanDerWaalsContact O-CG 3.26Å; E72-R76 WeakPolarHBondContact O-CG 3.47Å; E72-R76 PolarHBondContact O-N 2.88Å; E72-R76 IonicContact OE1-CZ 2.68Å; E72-R76 IonicContact OE1-NE 2.92Å; E72-R76 IonicContact OE1-NH2 3.5Å; E72-R76 PolarHBondContact OE1-NH2 3.22Å; E72-R76 IonicContact OE2-NH2 3.64Å; E72-R76 PolarHBondContact OE2-NH2 2.89Å; R76-S79 PolarHBondContact O-N 3.32Å; R76-A80 WeakPolarHBondContact O-CB 3.41Å; R76-A80 PolarHBondContact O-N 2.98Å
77K98.7Very high98.4Very high113 Ų11396 Ų9649%0.49150%0.498SS..Hα-helixtrans-64.4-41.7176.6-75.5171.3-175.2165.80111.6E73 S74 D75 A80 L81E73-K77 WeakPolarHBondContact O-CG 3.42Å; E73-K77 PolarHBondContact O-N 3.23Å; E73-K77 WeakPolarHBondContact OE1-CE 3.33Å; E73-K77 IonicContact OE1-NZ 3.82Å; E73-K77 PolarHBondContact OE1-NZ 3.41Å; S74-K77 PolarHBondContact O-N 3.18Å; D75-K77 VanDerWaalsContact C-N 3.31Å; D75-K77 PolarHBondContact O-N 3.16Å; K77-A80 PolarHBondContact O-N 2.66Å; K77-L81 WeakPolarHBondContact O-CG 3.48Å; K77-L81 PolarHBondContact O-N 3.07Å
78L97.9Very high98.4Very high117 Ų11793.7 Ų93.761%0.61348%0.484SS*.Hα-helixtrans-64.9-43.5177.1-71.5172.6000111.4S74 D75 L81 S82S74-L78 WeakPolarHBondContact O-CG 3.39Å; S74-L78 PolarHBondContact O-N 3.25Å; D75-L78 WeakPolarHBondContact O-CB 3.44Å; D75-L78 PolarHBondContact O-N 2.91Å; D75-L78 VanDerWaalsContact O-N 3.1Å; L78-L81 PolarHBondContact O-N 2.92Å; L78-S82 VanDerWaalsContact O-CB 3.28Å; L78-S82 WeakPolarHBondContact O-CB 3.34Å; L78-S82 PolarHBondContact O-N 3.49Å
79S98.3Very high98.3Very high53 Ų5396.2 Ų96.237%0.37149%0.486SS..Hα-helixtrans-60.2-46.8174.9-56.50000111.7D75 R76 L81 S82 E83D75-S79 PolarHBondContact O-N 3.35Å; D75-S79 PolarHBondContact O-OG 2.84Å; R76-S79 PolarHBondContact O-N 3.32Å; S79-L81 PolarHBondContact O-N 3.28Å; S79-S82 WeakPolarHBondContact O-CB 3.37Å; S79-S82 PolarHBondContact O-N 2.63Å; S79-E83 WeakPolarHBondContact O-CG 3.2Å; S79-E83 PolarHBondContact O-N 3.28Å
80A98.5Very high98.3Very high54 Ų5495.6 Ų95.645%0.44648%0.48SS..Hα-helixtrans-60.3-45178.700000112.4R76 K77 S82 E83 E84R76-A80 WeakPolarHBondContact O-CB 3.41Å; R76-A80 PolarHBondContact O-N 2.98Å; K77-A80 PolarHBondContact O-N 2.66Å; A80-S82 VanDerWaalsContact C-N 3.35Å; A80-E83 PolarHBondContact O-N 2.95Å; A80-E84 WeakPolarHBondContact O-CB 3.49Å; A80-E84 PolarHBondContact O-N 3.39Å
81L98.2Very high98.3Very high106 Ų10697.4 Ų97.456%0.55548%0.484SS*.Hα-helixtrans-67.3-35.7176.6-70.9173.1000112.4K77 L78 S79 Q85K77-L81 WeakPolarHBondContact O-CG 3.48Å; K77-L81 PolarHBondContact O-N 3.07Å; L78-L81 PolarHBondContact O-N 2.92Å; S79-L81 PolarHBondContact O-N 3.28Å; L81-Q85 WeakPolarHBondContact O-CB 3.42Å; L81-Q85 PolarHBondContact O-N 3.34Å
82S97.6Very high98.3Very high70 Ų7098.6 Ų98.649%0.4948%0.479SS..Hα-helixtrans-65-41.3175.1178.40000111.4L78 S79 A80 S86L78-S82 VanDerWaalsContact O-CB 3.28Å; L78-S82 WeakPolarHBondContact O-CB 3.34Å; L78-S82 PolarHBondContact O-N 3.49Å; S79-S82 WeakPolarHBondContact O-CB 3.37Å; S79-S82 PolarHBondContact O-N 2.63Å; A80-S82 VanDerWaalsContact C-N 3.35Å; S82-S86 WeakPolarHBondContact O-CB 3.29Å; S82-S86 PolarHBondContact O-N 3.48Å
83E98.3Very high98.3Very high124 Ų12496.7 Ų96.758%0.57948%0.481SS*.Hα-helixtrans-63.9-49.2175-75175.6-17500110.7S79 A80 Q85 S86 E87S79-E83 WeakPolarHBondContact O-CG 3.2Å; S79-E83 PolarHBondContact O-N 3.28Å; A80-E83 PolarHBondContact O-N 2.95Å; E83-Q85 VanDerWaalsContact C-N 3.33Å; E83-Q85 PolarHBondContact O-N 3.04Å; E83-S86 WeakPolarHBondContact O-CB 3.35Å; E83-S86 PolarHBondContact O-N 3.47Å; E83-S86 PolarHBondContact O-OG 3.27Å; E83-E87 WeakPolarHBondContact O-CG 3.49Å; E83-E87 PolarHBondContact O-N 3.45Å
84E98.4Very high98.3Very high117 Ų11797.7 Ų97.755%0.54749%0.485SS..Hα-helixtrans-56.8-45.8176.7-174.8177.6-177.800111.6A80 S86 E87 E88A80-E84 WeakPolarHBondContact O-CB 3.49Å; A80-E84 PolarHBondContact O-N 3.39Å; E84-S86 VanDerWaalsContact C-N 3.32Å; E84-S86 PolarHBondContact O-N 3.41Å; E84-E87 PolarHBondContact O-N 2.93Å; E84-E88 PolarHBondContact O-N 3.12Å
85Q98.4Very high98.3Very high120 Ų120100.3 Ų100.356%0.56149%0.491SS*.Hα-helixtrans-59.6-43.3175.2-175.6-170.567.700111.7L81 E83 E87 E88 Q89L81-Q85 WeakPolarHBondContact O-CB 3.42Å; L81-Q85 PolarHBondContact O-N 3.34Å; E83-Q85 VanDerWaalsContact C-N 3.33Å; E83-Q85 PolarHBondContact O-N 3.04Å; Q85-E87 VanDerWaalsContact C-N 3.3Å; Q85-E87 PolarHBondContact O-N 2.92Å; Q85-E88 PolarHBondContact O-N 3.43Å; Q85-Q89 WeakPolarHBondContact O-CB 3.39Å; Q85-Q89 WeakPolarHBondContact O-CG 3.21Å; Q85-Q89 PolarHBondContact O-N 3.19Å
86S97.9Very high98.3Very high47 Ų4799.9 Ų99.933%0.32949%0.488SS..Hα-helixtrans-66.6-33179.881.70000112.6S82 E83 E84 R90S82-S86 WeakPolarHBondContact O-CB 3.29Å; S82-S86 PolarHBondContact O-N 3.48Å; E83-S86 WeakPolarHBondContact O-CB 3.35Å; E83-S86 PolarHBondContact O-N 3.47Å; E83-S86 PolarHBondContact O-OG 3.27Å; E84-S86 VanDerWaalsContact C-N 3.32Å; E84-S86 PolarHBondContact O-N 3.41Å; S86-R90 WeakPolarHBondContact O-CB 3.32Å; S86-R90 PolarHBondContact O-N 3.11Å
87E98.6Very high98.3Very high80 Ų8097.7 Ų97.737%0.37448%0.484SS..Hα-helixtrans-69.8-45.5175.4-72.9-170.9176.500111.4E83 E84 Q85 Q89 R90 R91E83-E87 WeakPolarHBondContact O-CG 3.49Å; E83-E87 PolarHBondContact O-N 3.45Å; E84-E87 PolarHBondContact O-N 2.93Å; Q85-E87 VanDerWaalsContact C-N 3.3Å; Q85-E87 PolarHBondContact O-N 2.92Å; E87-Q89 VanDerWaalsContact C-N 3.34Å; E87-Q89 PolarHBondContact O-N 2.9Å; E87-R90 WeakPolarHBondContact O-CB 3.38Å; E87-R90 PolarHBondContact O-N 3.42Å; E87-R90 VanDerWaalsContact O-N 3.12Å; E87-R91 WeakPolarHBondContact O-CG 3.41Å; E87-R91 PolarHBondContact O-N 3.4Å; E87-R91 IonicContact OE2-NH2 3.33Å; E87-R91 PolarHBondContact OE2-NH2 3.2Å
88E98.5Very high98.3Very high57 Ų5796.9 Ų96.927%0.26648%0.482SS..Hα-helixtrans-61.7-42.3175.3-73.1-60.1137.600111.6E84 Q85 R90 R91 W92E84-E88 PolarHBondContact O-N 3.12Å; Q85-E88 PolarHBondContact O-N 3.43Å; E88-R90 VanDerWaalsContact C-N 3.27Å; E88-R90 PolarHBondContact O-N 3.41Å; E88-R91 PolarHBondContact O-N 2.76Å; E88-R91 IonicContact OE1-CZ 2.63Å; E88-R91 IonicContact OE1-NE 3.48Å; E88-R91 IonicContact OE1-NH1 2.66Å; E88-R91 PolarHBondContact OE1-NH1 3.38Å; E88-W92 HydrophobicContact CB-CH2 4.4Å; E88-W92 HydrophobicContact CB-CZ2 4.41Å; E88-W92 PolarHBondContact O-N 2.76Å
89Q97.3Very high98.3Very high108 Ų10896.2 Ų96.251%0.50548%0.478SS..Hα-helixtrans-58.3-40.1173-76.7177.86.100112.1Q85 E87 A93Q85-Q89 WeakPolarHBondContact O-CB 3.39Å; Q85-Q89 WeakPolarHBondContact O-CG 3.21Å; Q85-Q89 PolarHBondContact O-N 3.19Å; E87-Q89 VanDerWaalsContact C-N 3.34Å; E87-Q89 PolarHBondContact O-N 2.9Å; Q89-A93 WeakPolarHBondContact O-CB 3.3Å; Q89-A93 PolarHBondContact O-N 3.46Å
90R98.6Very high98.3Very high135 Ų135100.7 Ų100.751%0.50949%0.487SS..Hα-helixtrans-67.7-44.4176.9-164.3-171.7-46.8143.113111.6S86 E87 E88 A93 E94S86-R90 WeakPolarHBondContact O-CB 3.32Å; S86-R90 PolarHBondContact O-N 3.11Å; E87-R90 WeakPolarHBondContact O-CB 3.38Å; E87-R90 PolarHBondContact O-N 3.42Å; E87-R90 VanDerWaalsContact O-N 3.12Å; E88-R90 VanDerWaalsContact C-N 3.27Å; E88-R90 PolarHBondContact O-N 3.41Å; R90-A93 WeakPolarHBondContact O-CB 3.44Å; R90-A93 PolarHBondContact O-N 2.96Å; R90-E94 WeakPolarHBondContact O-CG 3.36Å; R90-E94 PolarHBondContact O-N 3.44Å
91R98.7Very high98.3Very high119 Ų119105 Ų10545%0.44949%0.492SS..Hα-helixtrans-58.7-49176.6-70.9173.3-168.4170.56.2111E87 E88 A93 E94 E95E87-R91 WeakPolarHBondContact O-CG 3.41Å; E87-R91 PolarHBondContact O-N 3.4Å; E87-R91 IonicContact OE2-NH2 3.33Å; E87-R91 PolarHBondContact OE2-NH2 3.2Å; E88-R91 PolarHBondContact O-N 2.76Å; E88-R91 IonicContact OE1-CZ 2.63Å; E88-R91 IonicContact OE1-NE 3.48Å; E88-R91 IonicContact OE1-NH1 2.66Å; E88-R91 PolarHBondContact OE1-NH1 3.38Å; R91-A93 VanDerWaalsContact C-N 3.31Å; R91-A93 PolarHBondContact O-N 2.85Å; R91-E94 PolarHBondContact O-N 3.49Å; R91-E95 WeakPolarHBondContact O-CG 3.19Å; R91-E95 PolarHBondContact O-N 3Å
92W98.1Very high98.3Very high152 Ų152103.9 Ų103.958%0.57648%0.484SS*.Hα-helixtrans-63.6-36.3176.6-64.6-27.3000112.8E88 L96E88-W92 HydrophobicContact CB-CH2 4.4Å; E88-W92 HydrophobicContact CB-CZ2 4.41Å; E88-W92 PolarHBondContact O-N 2.76Å; W92-L96 VanDerWaalsContact O-CB 3.23Å; W92-L96 WeakPolarHBondContact O-CB 3.31Å; W92-L96 PolarHBondContact O-N 3.27Å
93A98.4Very high98.3Very high59 Ų59107 Ų10749%0.48849%0.492SS..Hα-helixtrans-64.8-42.7174.900000112Q89 R90 R91 L96 E97Q89-A93 WeakPolarHBondContact O-CB 3.3Å; Q89-A93 PolarHBondContact O-N 3.46Å; R90-A93 WeakPolarHBondContact O-CB 3.44Å; R90-A93 PolarHBondContact O-N 2.96Å; R91-A93 VanDerWaalsContact C-N 3.31Å; R91-A93 PolarHBondContact O-N 2.85Å; A93-L96 PolarHBondContact O-N 2.9Å; A93-E97 PolarHBondContact O-N 2.84Å
94E98.7Very high98.3Very high119 Ų119105.1 Ų105.156%0.55648%0.484SS*.Hα-helixtrans-65.2-45176.5-73.3172.5-168.800112.1R90 R91 L96 E97 Q98R90-E94 WeakPolarHBondContact O-CG 3.36Å; R90-E94 PolarHBondContact O-N 3.44Å; R91-E94 PolarHBondContact O-N 3.49Å; E94-L96 PolarHBondContact O-N 2.93Å; E94-E97 PolarHBondContact O-N 3.36Å; E94-Q98 WeakPolarHBondContact O-CB 3.47Å; E94-Q98 PolarHBondContact O-N 3.17Å
95E98.5Very high98.3Very high114 Ų114105.4 Ų105.453%0.53348%0.479SS..Hα-helixtrans-61.2-43.3175.2-75.1-178.9-178.700111.7R91 E97 Q98 L99R91-E95 WeakPolarHBondContact O-CG 3.19Å; R91-E95 PolarHBondContact O-N 3Å; E95-E97 VanDerWaalsContact C-N 3.33Å; E95-E97 PolarHBondContact O-N 3.19Å; E95-Q98 PolarHBondContact O-N 3.45Å; E95-L99 WeakPolarHBondContact O-CB 3.34Å; E95-L99 WeakPolarHBondContact O-CG 3.44Å; E95-L99 PolarHBondContact O-N 2.83Å
96L98.3Very high98.3Very high90 Ų90103.1 Ų103.147%0.47147%0.474SS..Hα-helixtrans-62.4-42.1177.2-177.263.3000111.3W92 A93 E94 L99 R100W92-L96 VanDerWaalsContact O-CB 3.23Å; W92-L96 WeakPolarHBondContact O-CB 3.31Å; W92-L96 PolarHBondContact O-N 3.27Å; A93-L96 PolarHBondContact O-N 2.9Å; E94-L96 PolarHBondContact O-N 2.93Å; L96-L99 PolarHBondContact O-N 3.37Å; L96-R100 WeakPolarHBondContact O-CB 3.29Å; L96-R100 VanDerWaalsContact O-CG 3.22Å; L96-R100 WeakPolarHBondContact O-CG 3.46Å; L96-R100 PolarHBondContact O-N 3.06Å
97E98.6Very high98.2Very high98 Ų98107 Ų10746%0.45849%0.485SS..Hα-helixtrans-69.1-36.4176.7-175.852.9-146.300111.9A93 E94 E95 R100 R101A93-E97 PolarHBondContact O-N 2.84Å; E94-E97 PolarHBondContact O-N 3.36Å; E95-E97 VanDerWaalsContact C-N 3.33Å; E95-E97 PolarHBondContact O-N 3.19Å; E97-R100 PolarHBondContact O-N 3.45Å; E97-R101 WeakPolarHBondContact O-CB 3.4Å; E97-R101 WeakPolarHBondContact O-CG 3.28Å; E97-R101 PolarHBondContact O-N 2.8Å; E97-R101 PolarHBondContact O-NE 3.36Å
98Q98.7Very high98.2Very high95 Ų95109.3 Ų109.344%0.44449%0.493SS..Hα-helixtrans-61.6-49.8172.2-179.7176.6-20.100111.5E94 E95 R100 R101 E102E94-Q98 WeakPolarHBondContact O-CB 3.47Å; E94-Q98 PolarHBondContact O-N 3.17Å; E95-Q98 PolarHBondContact O-N 3.45Å; Q98-R100 VanDerWaalsContact C-N 3.3Å; Q98-R100 PolarHBondContact O-N 3.21Å; Q98-R101 WeakPolarHBondContact O-CB 3.48Å; Q98-R101 PolarHBondContact O-N 2.82Å; Q98-R101 VanDerWaalsContact O-N 3.15Å; Q98-E102 HydrophobicContact CG-CG 4.49Å; Q98-E102 PolarHBondContact NE2-OE1 2.82Å; Q98-E102 WeakPolarHBondContact O-CG 3.3Å; Q98-E102 PolarHBondContact O-N 3.46Å
99L98.3Very high98.1Very high103 Ų103111.1 Ų111.154%0.53950%0.502SS..Hα-helixtrans-61.6-39.3178.9-72.4172.8000111.6E95 L96 E102 M103E95-L99 WeakPolarHBondContact O-CB 3.34Å; E95-L99 WeakPolarHBondContact O-CG 3.44Å; E95-L99 PolarHBondContact O-N 2.83Å; L96-L99 PolarHBondContact O-N 3.37Å; L99-E102 PolarHBondContact O-N 3.3Å; L99-M103 WeakPolarHBondContact O-CB 3.27Å; L99-M103 VanDerWaalsContact O-CG 3.26Å; L99-M103 WeakPolarHBondContact O-CG 3.41Å; L99-M103 PolarHBondContact O-N 2.91Å
100R98.2Very high98Very high147 Ų147108.2 Ų108.256%0.55550%0.496SS*.Hα-helixtrans-60.5-46173.4-75.3171.1-173.2-94.20.9111.8L96 E97 Q98 M103 E104L96-R100 WeakPolarHBondContact O-CB 3.29Å; L96-R100 VanDerWaalsContact O-CG 3.22Å; L96-R100 WeakPolarHBondContact O-CG 3.46Å; L96-R100 PolarHBondContact O-N 3.06Å; E97-R100 PolarHBondContact O-N 3.45Å; Q98-R100 VanDerWaalsContact C-N 3.3Å; Q98-R100 PolarHBondContact O-N 3.21Å; R100-M103 PolarHBondContact O-N 3.32Å; R100-E104 PolarHBondContact O-N 3.2Å
101R98.8Very high97.9Very high146 Ų146104.2 Ų104.255%0.55149%0.492SS*.Hα-helixtrans-61.7-42.8176.3-75.6-180-73.4138.6-6.7111.9E97 Q98 E104 R105E97-R101 WeakPolarHBondContact O-CB 3.4Å; E97-R101 WeakPolarHBondContact O-CG 3.28Å; E97-R101 PolarHBondContact O-N 2.8Å; E97-R101 PolarHBondContact O-NE 3.36Å; Q98-R101 WeakPolarHBondContact O-CB 3.48Å; Q98-R101 PolarHBondContact O-N 2.82Å; Q98-R101 VanDerWaalsContact O-N 3.15Å; R101-E104 PolarHBondContact O-N 3.07Å; R101-R105 WeakPolarHBondContact O-CB 3.39Å; R101-R105 PolarHBondContact O-N 2.91Å
102E98.1Very high97.8Very high81 Ų81105.8 Ų105.838%0.37950%0.502SS..Hα-helixtrans-65.1-44.1177.5-74.6-179.9-166.100112.1Q98 L99 E104 R105 V106Q98-E102 HydrophobicContact CG-CG 4.49Å; Q98-E102 PolarHBondContact NE2-OE1 2.82Å; Q98-E102 WeakPolarHBondContact O-CG 3.3Å; Q98-E102 PolarHBondContact O-N 3.46Å; L99-E102 PolarHBondContact O-N 3.3Å; E102-E104 VanDerWaalsContact C-N 3.34Å; E102-E104 PolarHBondContact O-N 3.17Å; E102-R105 WeakPolarHBondContact O-CB 3.42Å; E102-R105 PolarHBondContact O-N 3.11Å; E102-V106 WeakPolarHBondContact O-CG2 3.19Å; E102-V106 PolarHBondContact O-N 3.31Å
103M97.6Very high97.6Very high135 Ų135101.4 Ų101.467%0.66550%0.498SS*.Hα-helixtrans-58.2-45.2174.8-77.2-64.4-61.200111.8L99 R100 V106 K107L99-M103 WeakPolarHBondContact O-CB 3.27Å; L99-M103 VanDerWaalsContact O-CG 3.26Å; L99-M103 WeakPolarHBondContact O-CG 3.41Å; L99-M103 PolarHBondContact O-N 2.91Å; R100-M103 PolarHBondContact O-N 3.32Å; M103-V106 PolarHBondContact O-N 3.03Å; M103-K107 VanDerWaalsContact O-CB 3.25Å; M103-K107 WeakPolarHBondContact O-CB 3.47Å; M103-K107 PolarHBondContact O-N 2.97Å
104E98.4Very high97.2Very high86 Ų86105.4 Ų105.440%0.40251%0.507SS..Hα-helixtrans-68.5-35.2177.2-79.6-61.8135.900112.8R100 R101 E102 K107 K108R100-E104 PolarHBondContact O-N 3.2Å; R101-E104 PolarHBondContact O-N 3.07Å; E102-E104 VanDerWaalsContact C-N 3.34Å; E102-E104 PolarHBondContact O-N 3.17Å; E104-K107 IonicContact OE1-NZ 3.03Å; E104-K107 PolarHBondContact OE1-NZ 2.96Å; E104-K108 WeakPolarHBondContact O-CB 3.33Å; E104-K108 VanDerWaalsContact O-CG 3.27Å; E104-K108 WeakPolarHBondContact O-CG 3.35Å; E104-K108 PolarHBondContact O-N 2.8Å
105R98.4Very high97Very high122 Ų122103.8 Ų103.846%0.4650%0.502SS..Hα-helixtrans-61.3-52.3172.5-175.8-170.56575.73.8110.8R101 E102 K107 K108 E109R101-R105 WeakPolarHBondContact O-CB 3.39Å; R101-R105 PolarHBondContact O-N 2.91Å; E102-R105 WeakPolarHBondContact O-CB 3.42Å; E102-R105 PolarHBondContact O-N 3.11Å; R105-K107 VanDerWaalsContact C-N 3.32Å; R105-K107 PolarHBondContact O-N 3.01Å; R105-K108 PolarHBondContact O-N 2.87Å; R105-E109 WeakPolarHBondContact CG-OE1 3.41Å; R105-E109 IonicContact CZ-OE1 2.81Å; R105-E109 IonicContact CZ-OE2 3.72Å; R105-E109 IonicContact NH1-OE1 3.14Å; R105-E109 PolarHBondContact NH1-OE1 2.83Å; R105-E109 IonicContact NH1-OE2 3.26Å; R105-E109 PolarHBondContact NH1-OE2 3.46Å; R105-E109 WeakPolarHBondContact O-CG 3.36Å; R105-E109 PolarHBondContact O-N 3.35Å
106V97.6Very high96.7Very high73 Ų73102.5 Ų102.544%0.44250%0.496SS..Hα-helixtrans-61.5-41.6-179.9171.90000110.8E102 M103 K108 E109 A110E102-V106 WeakPolarHBondContact O-CG2 3.19Å; E102-V106 PolarHBondContact O-N 3.31Å; M103-V106 PolarHBondContact O-N 3.03Å; V106-K108 PolarHBondContact O-N 2.75Å; V106-E109 PolarHBondContact O-N 3.23Å; V106-A110 WeakPolarHBondContact O-CB 3.44Å; V106-A110 PolarHBondContact O-N 2.9Å
107K96.4Very high96.2Very high128 Ų12899.8 Ų99.856%0.55749%0.486SS*.Hα-helixtrans-60.8-44.6175.7-177.9-178.9172.4-170.90112.3M103 E104 R105 A110 A111M103-K107 VanDerWaalsContact O-CB 3.25Å; M103-K107 WeakPolarHBondContact O-CB 3.47Å; M103-K107 PolarHBondContact O-N 2.97Å; E104-K107 IonicContact OE1-NZ 3.03Å; E104-K107 PolarHBondContact OE1-NZ 2.96Å; R105-K107 VanDerWaalsContact C-N 3.32Å; R105-K107 PolarHBondContact O-N 3.01Å; K107-A110 PolarHBondContact O-N 3.31Å; K107-A111 WeakPolarHBondContact O-CB 3.49Å; K107-A111 PolarHBondContact O-N 3.48Å
108K98.1Very high95.7Very high128 Ų12897.3 Ų97.356%0.55748%0.476SS*.Hα-helixtrans-63.4-42.1175.7-74.6171.5-175.8175.20111.8E104 R105 V106 A111 K112E104-K108 WeakPolarHBondContact O-CB 3.33Å; E104-K108 VanDerWaalsContact O-CG 3.27Å; E104-K108 WeakPolarHBondContact O-CG 3.35Å; E104-K108 PolarHBondContact O-N 2.8Å; R105-K108 PolarHBondContact O-N 2.87Å; V106-K108 PolarHBondContact O-N 2.75Å; K108-A111 PolarHBondContact O-N 3.44Å; K108-K112 VanDerWaalsContact O-CG 3.3Å; K108-K112 WeakPolarHBondContact O-CG 3.26Å; K108-K112 PolarHBondContact O-N 3.27Å
109E96.9Very high95.3Very high96 Ų9699.5 Ų99.545%0.44948%0.48SS..Hα-helixtrans-65-44.4176.9-74.8170.1-168.900111.9R105 V106 A111 K112 A113R105-E109 WeakPolarHBondContact CG-OE1 3.41Å; R105-E109 IonicContact CZ-OE1 2.81Å; R105-E109 IonicContact CZ-OE2 3.72Å; R105-E109 IonicContact NH1-OE1 3.14Å; R105-E109 PolarHBondContact NH1-OE1 2.83Å; R105-E109 IonicContact NH1-OE2 3.26Å; R105-E109 PolarHBondContact NH1-OE2 3.46Å; R105-E109 WeakPolarHBondContact O-CG 3.36Å; R105-E109 PolarHBondContact O-N 3.35Å; V106-E109 PolarHBondContact O-N 3.23Å; E109-A111 PolarHBondContact O-N 3.38Å; E109-K112 PolarHBondContact O-N 3.33Å; E109-A113 WeakPolarHBondContact O-CB 3.5Å; E109-A113 PolarHBondContact O-N 3.05Å
110A95.4Very high94.7Very high46 Ų4698.9 Ų98.938%0.3848%0.477SS..Hα-helixtrans-60.9-44.6175.700000111.7V106 K107 K112 A113 Q114V106-A110 WeakPolarHBondContact O-CB 3.44Å; V106-A110 PolarHBondContact O-N 2.9Å; K107-A110 PolarHBondContact O-N 3.31Å; A110-K112 PolarHBondContact O-N 3.46Å; A110-A113 PolarHBondContact O-N 3Å; A110-Q114 WeakPolarHBondContact O-CB 3.44Å; A110-Q114 VanDerWaalsContact O-CG 3.3Å; A110-Q114 WeakPolarHBondContact O-CG 3.47Å; A110-Q114 PolarHBondContact O-N 2.96Å
111A95.8Very high94.1Very high51 Ų5193.9 Ų93.942%0.42146%0.46SS..Hα-helixtrans-62.7-41.5176.700000112.2K107 K108 E109 Q114 L115K107-A111 WeakPolarHBondContact O-CB 3.49Å; K107-A111 PolarHBondContact O-N 3.48Å; K108-A111 PolarHBondContact O-N 3.44Å; E109-A111 PolarHBondContact O-N 3.38Å; A111-Q114 PolarHBondContact O-N 2.84Å; A111-L115 WeakPolarHBondContact O-CB 3.38Å; A111-L115 PolarHBondContact O-N 3.48Å
112K96.6Very high93.4Very high153 Ų15388.1 Ų88.167%0.66544%0.44SS*.Hα-helixtrans-62.3-44.1174.1-74.7174.6-177.9-178.40111.6K108 E109 A110 L115 Q116K108-K112 VanDerWaalsContact O-CG 3.3Å; K108-K112 WeakPolarHBondContact O-CG 3.26Å; K108-K112 PolarHBondContact O-N 3.27Å; E109-K112 PolarHBondContact O-N 3.33Å; A110-K112 PolarHBondContact O-N 3.46Å; K112-L115 PolarHBondContact O-N 3.26Å; K112-Q116 WeakPolarHBondContact O-CB 3.44Å; K112-Q116 PolarHBondContact O-N 2.67Å
113A93.9Very high93Very high60 Ų6086.6 Ų86.650%0.49644%0.441SS..Hα-helixtrans-64.6-41178.300000112E109 A110 Q116 A117E109-A113 WeakPolarHBondContact O-CB 3.5Å; E109-A113 PolarHBondContact O-N 3.05Å; A110-A113 PolarHBondContact O-N 3Å; A113-Q116 PolarHBondContact O-N 3.19Å; A113-A117 WeakPolarHBondContact O-CB 3.49Å; A113-A117 PolarHBondContact O-N 3.28Å
114Q89.8Confident92.4Very high142 Ų14282.6 Ų82.666%0.66443%0.43SS*.Hα-helixtrans-62.3-46.8174.5-75.2173.3-19.100111.8A110 A111 Q116 A117 L118A110-Q114 WeakPolarHBondContact O-CB 3.44Å; A110-Q114 VanDerWaalsContact O-CG 3.3Å; A110-Q114 WeakPolarHBondContact O-CG 3.47Å; A110-Q114 PolarHBondContact O-N 2.96Å; A111-Q114 PolarHBondContact O-N 2.84Å; Q114-Q116 VanDerWaalsContact C-N 3.32Å; Q114-Q116 PolarHBondContact O-N 2.87Å; Q114-A117 PolarHBondContact O-N 3.22Å; Q114-L118 PolarHBondContact O-N 2.94Å
115L94.2Very high91.8Very high85 Ų8578.8 Ų78.845%0.44541%0.412SS..Hα-helixtrans-62.2-40.8177.1179.261.3000111.7A111 K112 L118 R119A111-L115 WeakPolarHBondContact O-CB 3.38Å; A111-L115 PolarHBondContact O-N 3.48Å; K112-L115 PolarHBondContact O-N 3.26Å; L115-L118 PolarHBondContact O-N 3.01Å; L115-R119 WeakPolarHBondContact O-CG 3.41Å; L115-R119 PolarHBondContact O-N 3.45Å
116Q92.6Very high91.3Very high88 Ų8876.4 Ų76.441%0.41141%0.407SS..Hα-helixtrans-66.1-45.3177.5-172.657.846.400111.4K112 A113 Q114 L118 R119 D120K112-Q116 WeakPolarHBondContact O-CB 3.44Å; K112-Q116 PolarHBondContact O-N 2.67Å; A113-Q116 PolarHBondContact O-N 3.19Å; Q114-Q116 VanDerWaalsContact C-N 3.32Å; Q114-Q116 PolarHBondContact O-N 2.87Å; Q116-L118 VanDerWaalsContact C-N 3.28Å; Q116-L118 PolarHBondContact O-N 2.94Å; Q116-R119 WeakPolarHBondContact O-CB 3.37Å; Q116-R119 PolarHBondContact O-N 2.96Å; Q116-R119 VanDerWaalsContact O-N 3.12Å; Q116-D120 PolarHBondContact NE2-OD1 3.03Å; Q116-D120 VanDerWaalsContact O-CG 3.25Å; Q116-D120 PolarHBondContact O-N 3.27Å
117A87.8Confident90.7Very high33 Ų3380.9 Ų80.927%0.27342%0.42SS..Hα-helixtrans-58.3-41.6176.200000111.8A113 Q114 D120 E121A113-A117 WeakPolarHBondContact O-CB 3.49Å; A113-A117 PolarHBondContact O-N 3.28Å; Q114-A117 PolarHBondContact O-N 3.22Å; A117-D120 PolarHBondContact O-N 3.33Å; A117-E121 WeakPolarHBondContact O-CB 3.34Å; A117-E121 WeakPolarHBondContact O-CG 3.13Å; A117-E121 PolarHBondContact O-N 3.43Å
118L88.5Confident90.1Very high46 Ų4678.2 Ų78.224%0.24141%0.41CS..Hα-helixtrans-62.9-42.5175.8178.960.1000112.1Q114 L115 Q116 D120 E121 I122 L190Q114-L118 PolarHBondContact O-N 2.94Å; L115-L118 PolarHBondContact O-N 3.01Å; Q116-L118 VanDerWaalsContact C-N 3.28Å; Q116-L118 PolarHBondContact O-N 2.94Å; L118-D120 VanDerWaalsContact C-N 3.32Å; L118-D120 PolarHBondContact O-N 3.29Å; L118-E121 PolarHBondContact O-N 3.45Å; L118-I122 HydrophobicContact CD1-CD1 4.17Å; L118-I122 HydrophobicContact CD1-CG1 4.36Å; L118-I122 HydrophobicContact CG-CD1 4.08Å; L118-I122 WeakPolarHBondContact O-CG1 3.49Å; L118-I122 PolarHBondContact O-N 2.94Å; L118-L190 HydrophobicContact CD1-CB 4.32Å; L118-L190 WeakPolarHBondContact CD1-O 3.44Å
119R89.5Confident89.7Confident140 Ų14074.8 Ų74.853%0.52839%0.393SS..Hα-helixtrans-61.2-42.4175.4-73.9173.3179.1165.5-2.1111.7L115 Q116 I122 A123L115-R119 WeakPolarHBondContact O-CG 3.41Å; L115-R119 PolarHBondContact O-N 3.45Å; Q116-R119 WeakPolarHBondContact O-CB 3.37Å; Q116-R119 PolarHBondContact O-N 2.96Å; Q116-R119 VanDerWaalsContact O-N 3.12Å; R119-I122 PolarHBondContact O-N 2.65Å; R119-A123 WeakPolarHBondContact O-CB 3.44Å; R119-A123 PolarHBondContact O-N 3.31Å
120D85.3Confident89.2Confident91 Ų9173.9 Ų73.949%0.48739%0.391SS..Hα-helixtrans-67.2-39.5179.1-62.9-20.1000111.3Q116 A117 L118 A123 A124Q116-D120 PolarHBondContact NE2-OD1 3.03Å; Q116-D120 VanDerWaalsContact O-CG 3.25Å; Q116-D120 PolarHBondContact O-N 3.27Å; A117-D120 PolarHBondContact O-N 3.33Å; L118-D120 VanDerWaalsContact C-N 3.32Å; L118-D120 PolarHBondContact O-N 3.29Å; D120-A123 PolarHBondContact O-N 3.03Å; D120-A124 WeakPolarHBondContact O-CB 3.46Å; D120-A124 PolarHBondContact O-N 3.44Å
121E86Confident88.8Confident41 Ų4173.3 Ų73.319%0.19239%0.39CS..Hα-helixtrans-61.7-46.2173.7-74.9177.2-166.600111.5A117 L118 A124 V125 R266A117-E121 WeakPolarHBondContact O-CB 3.34Å; A117-E121 WeakPolarHBondContact O-CG 3.13Å; A117-E121 PolarHBondContact O-N 3.43Å; L118-E121 PolarHBondContact O-N 3.45Å; E121-A124 PolarHBondContact O-N 3.27Å; E121-V125 WeakPolarHBondContact O-CG2 3.28Å; E121-V125 PolarHBondContact O-N 3.1Å; E121-V125 VanDerWaalsContact O-N 3.13Å; E121-R266 IonicContact OE1-CZ 3.14Å; E121-R266 IonicContact OE1-NH1 3.43Å; E121-R266 IonicContact OE1-NH2 3.73Å; E121-R266 PolarHBondContact OE1-NH2 3.41Å; E121-R266 VanDerWaalsContact OE1-NH2 3.08Å
122I85.5Confident88.3Confident25 Ų2570.9 Ų70.913%0.12837%0.37CS..Hα-helixtrans-60.4-50.4175.3-71169.6000110.6L118 R119 A124 V125 E126 L187 L190 Q191L118-I122 HydrophobicContact CD1-CD1 4.17Å; L118-I122 HydrophobicContact CD1-CG1 4.36Å; L118-I122 HydrophobicContact CG-CD1 4.08Å; L118-I122 WeakPolarHBondContact O-CG1 3.49Å; L118-I122 PolarHBondContact O-N 2.94Å; R119-I122 PolarHBondContact O-N 2.65Å; I122-A124 VanDerWaalsContact C-N 3.26Å; I122-A124 PolarHBondContact O-N 3.47Å; I122-V125 PolarHBondContact O-N 2.96Å; I122-V125 VanDerWaalsContact O-N 3.11Å; I122-E126 HydrophobicContact CG2-CG 4.35Å; I122-E126 WeakPolarHBondContact O-CG 3.33Å; I122-E126 PolarHBondContact O-N 3.15Å; I122-L187 HydrophobicContact CG2-CD2 4.02Å; I122-L190 HydrophobicContact CD1-CB 4.48Å; I122-L190 HydrophobicContact CG1-CB 3.94Å; I122-L190 HydrophobicContact CG1-CD1 4.27Å; I122-Q191 HydrophobicContact CD1-CG 3.92Å
123A88.4Confident87.9Confident49 Ų4964.6 Ų64.641%0.40534%0.343SS..Hα-helixtrans-60.9-35.7-179.100000112.4R119 D120 K127R119-A123 WeakPolarHBondContact O-CB 3.44Å; R119-A123 PolarHBondContact O-N 3.31Å; D120-A123 PolarHBondContact O-N 3.03Å; A123-K127 WeakPolarHBondContact O-CB 3.37Å; A123-K127 PolarHBondContact O-N 2.87Å
124A84.8Confident87.7Confident52 Ų5265.1 Ų65.143%0.4334%0.343SS..Hα-helixtrans-65.2-43.7174.900000112.1D120 E121 I122 K127 Q128D120-A124 WeakPolarHBondContact O-CB 3.46Å; D120-A124 PolarHBondContact O-N 3.44Å; E121-A124 PolarHBondContact O-N 3.27Å; I122-A124 VanDerWaalsContact C-N 3.26Å; I122-A124 PolarHBondContact O-N 3.47Å; A124-K127 PolarHBondContact O-N 3.45Å; A124-Q128 PolarHBondContact O-N 2.98Å
125V87Confident87.7Confident5 Ų565.4 Ų65.43%0.0334%0.338CS..Hα-helixtrans-66.5-40.2176.8174.70000111.3E121 I122 Q128 R129 F183 V186 L187 L190 L196 I202E121-V125 WeakPolarHBondContact O-CG2 3.28Å; E121-V125 PolarHBondContact O-N 3.1Å; E121-V125 VanDerWaalsContact O-N 3.13Å; I122-V125 PolarHBondContact O-N 2.96Å; I122-V125 VanDerWaalsContact O-N 3.11Å; V125-Q128 WeakPolarHBondContact O-CB 3.37Å; V125-Q128 PolarHBondContact O-N 3.31Å; V125-R129 PolarHBondContact O-N 3.08Å; V125-F183 HydrophobicContact CG1-CD1 3.97Å; V125-F183 HydrophobicContact CG1-CE1 4.42Å; V125-V186 HydrophobicContact CG1-CG1 4.17Å; V125-L187 HydrophobicContact CB-CD2 3.88Å; V125-L187 HydrophobicContact CG1-CD2 3.66Å; V125-L187 HydrophobicContact CG1-CG 3.96Å; V125-L190 HydrophobicContact CB-CD1 4.49Å; V125-L190 HydrophobicContact CG2-CD1 3.96Å; V125-L196 HydrophobicContact CG2-CD1 3.9Å; V125-I202 HydrophobicContact CG1-CD1 4.48Å
126E87.2Confident87.5Confident73 Ų7361.6 Ų61.634%0.34132%0.318SS..Hα-helixtrans-60.9-45.5174-70.7-179.1141.900111.5I122 Q128 R129 D130 L187I122-E126 HydrophobicContact CG2-CG 4.35Å; I122-E126 WeakPolarHBondContact O-CG 3.33Å; I122-E126 PolarHBondContact O-N 3.15Å; E126-Q128 VanDerWaalsContact C-N 3.27Å; E126-Q128 PolarHBondContact O-N 3.26Å; E126-R129 WeakPolarHBondContact O-CB 3.38Å; E126-R129 PolarHBondContact O-N 3.41Å; E126-D130 PolarHBondContact O-N 3.25Å; E126-L187 HydrophobicContact CG-CD1 3.99Å; E126-L187 HydrophobicContact CG-CD2 3.71Å
127K85.1Confident87.4Confident166 Ų16661.6 Ų61.672%0.72232%0.318SS*.Hα-helixtrans-62-36.8175.6-172.2176.4-178.1178.60112.1A123 A124 G131A123-K127 WeakPolarHBondContact O-CB 3.37Å; A123-K127 PolarHBondContact O-N 2.87Å; A124-K127 PolarHBondContact O-N 3.45Å; K127-G131 PolarHBondContact O-N 3.46Å
128Q84.5Confident87.5Confident73 Ų7362 Ų6234%0.34132%0.322SS..Hα-helixtrans-65.3-45175-173.2-173.8-2.200111.5A124 V125 E126 G131 A132 F183A124-Q128 PolarHBondContact O-N 2.98Å; V125-Q128 WeakPolarHBondContact O-CB 3.37Å; V125-Q128 PolarHBondContact O-N 3.31Å; E126-Q128 VanDerWaalsContact C-N 3.27Å; E126-Q128 PolarHBondContact O-N 3.26Å; Q128-G131 PolarHBondContact O-N 3.25Å; Q128-A132 WeakPolarHBondContact O-CB 3.45Å; Q128-A132 PolarHBondContact O-N 2.94Å; Q128-F183 HydrophobicContact CB-CE1 4.15Å; Q128-F183 HydrophobicContact CG-CE1 3.97Å; Q128-F183 HydrophobicContact CG-CZ 3.98Å
129R88.6Confident87.8Confident56 Ų5660.5 Ų60.521%0.21131%0.313CS..Hα-helixtrans-55.2-54173.6177.9-161.367.1-154.7-6.9110V125 E126 G131 A132 M133 F183V125-R129 PolarHBondContact O-N 3.08Å; E126-R129 WeakPolarHBondContact O-CB 3.38Å; E126-R129 PolarHBondContact O-N 3.41Å; R129-G131 VanDerWaalsContact C-N 3.33Å; R129-G131 PolarHBondContact O-N 2.67Å; R129-A132 PolarHBondContact O-N 3.34Å; R129-A132 VanDerWaalsContact O-N 3.11Å; R129-M133 HydrophobicContact CG-CG 4.23Å; R129-M133 VanDerWaalsContact O-CG 3.27Å; R129-M133 WeakPolarHBondContact O-CG 3.39Å; R129-M133 PolarHBondContact O-N 3Å; R129-F183 HydrophobicContact CB-CB 4.15Å; R129-F183 HydrophobicContact CB-CD1 3.69Å; R129-F183 HydrophobicContact CB-CD2 3.95Å; R129-F183 HydrophobicContact CB-CE1 4.02Å; R129-F183 HydrophobicContact CB-CE2 4.24Å; R129-F183 HydrophobicContact CB-CG 3.68Å; R129-F183 HydrophobicContact CB-CZ 4.29Å; R129-F183 HydrophobicContact CG-CB 3.94Å; R129-F183 HydrophobicContact CG-CD1 4.37Å; R129-F183 HydrophobicContact CG-CD2 3.9Å; R129-F183 HydrophobicContact CG-CG 3.83Å
130D86.4Confident87.9Confident76 Ų7654.8 Ų54.841%0.40629%0.293SS..Hα-helixtrans-62.8-40.2-175-62.9-12.8000111.7E126 S134E126-D130 PolarHBondContact O-N 3.25Å; D130-S134 VanDerWaalsContact O-CB 3.27Å; D130-S134 WeakPolarHBondContact O-CB 3.47Å; D130-S134 PolarHBondContact O-N 3.08Å; D130-S134 PolarHBondContact O-OG 3.25Å
131G86.6Confident88.2Confident34 Ų3456.8 Ų56.835%0.35130%0.297SS..Hα-helixtrans-65-39.9173.900000113.3K127 Q128 R129 R135K127-G131 PolarHBondContact O-N 3.46Å; Q128-G131 PolarHBondContact O-N 3.25Å; R129-G131 VanDerWaalsContact C-N 3.33Å; R129-G131 PolarHBondContact O-N 2.67Å; G131-R135 WeakPolarHBondContact O-CG 3.48Å; G131-R135 PolarHBondContact O-N 3.24Å
132A85.4Confident88.5Confident0 Ų059.7 Ų59.70%031%0.311CS..Hα-helixtrans-67.2-46.7175.500000111.9Q128 R129 R135 I136 L179 F183 V204Q128-A132 WeakPolarHBondContact O-CB 3.45Å; Q128-A132 PolarHBondContact O-N 2.94Å; R129-A132 PolarHBondContact O-N 3.34Å; R129-A132 VanDerWaalsContact O-N 3.11Å; A132-R135 PolarHBondContact O-N 3.4Å; A132-I136 WeakPolarHBondContact O-CG1 3.37Å; A132-I136 PolarHBondContact O-N 2.97Å; A132-I136 VanDerWaalsContact O-N 3.08Å; A132-L179 HydrophobicContact CB-CD2 4.2Å; A132-F183 HydrophobicContact CB-CE2 4.23Å; A132-F183 HydrophobicContact CB-CZ 4.46Å; A132-V204 HydrophobicContact CB-CG1 4.12Å; A132-V204 HydrophobicContact CB-CG2 4.24Å
133M88.9Confident88.7Confident21 Ų2158.5 Ų58.510%0.10331%0.305CS..Hα-helixtrans-61.1-45.9178.1-65.1-59.8-83.900111.1R129 R135 I136 E137 Q176 Q180R129-M133 HydrophobicContact CG-CG 4.23Å; R129-M133 VanDerWaalsContact O-CG 3.27Å; R129-M133 WeakPolarHBondContact O-CG 3.39Å; R129-M133 PolarHBondContact O-N 3Å; M133-R135 VanDerWaalsContact C-N 3.31Å; M133-R135 PolarHBondContact O-N 2.9Å; M133-I136 PolarHBondContact O-N 3Å; M133-E137 WeakPolarHBondContact O-CB 3.36Å; M133-E137 WeakPolarHBondContact O-CG 3.4Å; M133-E137 PolarHBondContact O-N 3.36Å; M133-Q176 HydrophobicContact CE-CG 3.82Å; M133-Q176 HydrophobicContact SD-CG 3.91Å; M133-Q180 HydrophobicContact CE-CB 4.18Å; M133-Q180 HydrophobicContact CE-CG 4.21Å; M133-Q180 HydrophobicContact SD-CB 4.43Å
134S90.5Very high88.9Confident71 Ų7158.3 Ų58.350%0.49730%0.303SS..Hα-helixtrans-59.2-39.9177.5-60.80000112.7D130 A138D130-S134 VanDerWaalsContact O-CB 3.27Å; D130-S134 WeakPolarHBondContact O-CB 3.47Å; D130-S134 PolarHBondContact O-N 3.08Å; D130-S134 PolarHBondContact O-OG 3.25Å; S134-A138 WeakPolarHBondContact O-CB 3.46Å; S134-A138 PolarHBondContact O-N 3.2Å
135R89.1Confident89.2Confident149 Ų14962 Ų6256%0.56231%0.312SS*.Hα-helixtrans-66.1-43.3176.2-75.7-174-60.6-151.60.8112.2G131 A132 M133 A138 W139G131-R135 WeakPolarHBondContact O-CG 3.48Å; G131-R135 PolarHBondContact O-N 3.24Å; A132-R135 PolarHBondContact O-N 3.4Å; M133-R135 VanDerWaalsContact C-N 3.31Å; M133-R135 PolarHBondContact O-N 2.9Å; R135-A138 PolarHBondContact O-N 2.88Å; R135-W139 WeakPolarHBondContact O-CB 3.36Å; R135-W139 PolarHBondContact O-N 3.38Å
136I89.4Confident89.3Confident4 Ų463.2 Ų63.22%0.02132%0.316CS..Hα-helixtrans-64.8-44.1177.5-66169.3000110.4A132 M133 W139 L140 V172 Q176 L179 L207A132-I136 WeakPolarHBondContact O-CG1 3.37Å; A132-I136 PolarHBondContact O-N 2.97Å; A132-I136 VanDerWaalsContact O-N 3.08Å; M133-I136 PolarHBondContact O-N 3Å; I136-W139 WeakPolarHBondContact O-CB 3.34Å; I136-W139 PolarHBondContact O-N 2.85Å; I136-L140 HydrophobicContact CG2-CD1 3.99Å; I136-L140 HydrophobicContact CG2-CG 4.3Å; I136-L140 WeakPolarHBondContact O-CG 3.41Å; I136-L140 PolarHBondContact O-N 2.82Å; I136-V172 HydrophobicContact CG2-CG1 3.73Å; I136-Q176 HydrophobicContact CD1-CB 4.33Å; I136-Q176 HydrophobicContact CD1-CG 4.28Å; I136-Q176 HydrophobicContact CG2-CB 4.01Å; I136-Q176 HydrophobicContact CG2-CG 3.92Å; I136-L179 HydrophobicContact CD1-CD2 3.97Å; I136-L207 HydrophobicContact CG1-CD1 4.04Å; I136-L207 HydrophobicContact CG1-CD2 4.27Å
137E90.9Very high89.4Confident88 Ų8860 Ų6041%0.41130%0.301SS..Hα-helixtrans-63.8-41.1177.9-74.1174.1-169.300112.7M133 W139 L140 K141M133-E137 WeakPolarHBondContact O-CB 3.36Å; M133-E137 WeakPolarHBondContact O-CG 3.4Å; M133-E137 PolarHBondContact O-N 3.36Å; E137-W139 VanDerWaalsContact C-N 3.35Å; E137-L140 PolarHBondContact O-N 3.2Å; E137-K141 WeakPolarHBondContact O-CG 3.49Å; E137-K141 PolarHBondContact O-N 2.88Å
138A90.4Very high89.6Confident43 Ų4356.1 Ų56.136%0.35529%0.288SS..Hα-helixtrans-60.3-46.8173.700000111S134 R135 L140 K141 E142S134-A138 WeakPolarHBondContact O-CB 3.46Å; S134-A138 PolarHBondContact O-N 3.2Å; R135-A138 PolarHBondContact O-N 2.88Å; A138-L140 PolarHBondContact O-N 2.87Å; A138-K141 WeakPolarHBondContact O-CB 3.49Å; A138-K141 PolarHBondContact O-N 3.48Å; A138-E142 WeakPolarHBondContact O-CG 3.11Å; A138-E142 PolarHBondContact O-N 3.36Å
139W93.7Very high89.8Confident13 Ų1354.3 Ų54.35%0.04928%0.282CS..Hα-helixtrans-61.5-42.6176.2-178.787.2000112.9R135 I136 E137 K141 E142 V143 W165 V172 L207 P208R135-W139 WeakPolarHBondContact O-CB 3.36Å; R135-W139 PolarHBondContact O-N 3.38Å; I136-W139 WeakPolarHBondContact O-CB 3.34Å; I136-W139 PolarHBondContact O-N 2.85Å; E137-W139 VanDerWaalsContact C-N 3.35Å; W139-K141 VanDerWaalsContact C-N 3.28Å; W139-K141 PolarHBondContact O-N 3.06Å; W139-E142 PolarHBondContact O-N 2.8Å; W139-V143 HydrophobicContact CD2-CG2 3.84Å; W139-V143 HydrophobicContact CE3-CG2 3.99Å; W139-V143 HydrophobicContact CH2-CG2 3.68Å; W139-V143 HydrophobicContact CZ2-CG2 3.5Å; W139-V143 HydrophobicContact CZ3-CG2 3.9Å; W139-V143 WeakPolarHBondContact O-CG2 3.39Å; W139-V143 PolarHBondContact O-N 3.13Å; W139-W165 HydrophobicContact CZ2-CZ3 4.17Å; W139-V172 HydrophobicContact CE3-CB 4.07Å; W139-V172 HydrophobicContact CE3-CG1 3.67Å; W139-V172 HydrophobicContact CE3-CG2 4.18Å; W139-V172 HydrophobicContact CH2-CB 3.91Å; W139-V172 HydrophobicContact CH2-CG1 4.41Å; W139-V172 HydrophobicContact CH2-CG2 3.5Å; W139-V172 VanDerWaalsContact CH2-CG2 3.5Å; W139-V172 HydrophobicContact CZ2-CG2 4.14Å; W139-V172 HydrophobicContact CZ3-CB 3.44Å; W139-V172 VanDerWaalsContact CZ3-CB 3.44Å; W139-V172 HydrophobicContact CZ3-CG1 3.59Å; W139-V172 HydrophobicContact CZ3-CG2 3.54Å; W139-L207 HydrophobicContact CB-CD1 3.71Å; W139-L207 HydrophobicContact CD2-CD2 4.38Å; W139-L207 HydrophobicContact CG-CB 4.13Å; W139-L207 HydrophobicContact CG-CD1 3.99Å; W139-L207 HydrophobicContact CG-CD2 4.48Å; W139-L207 HydrophobicContact CG-CG 4.43Å; W139-P208 HydrophobicContact CZ2-CB 4.41Å; W139-P208 HydrophobicContact CZ2-CG 4.2Å; W139-P208 PolarHBondContact NE1-O 3.28Å
140L91.2Very high89.6Confident20 Ų2052 Ų5211%0.10527%0.274CS..Hα-helixtrans-61.6-37.9176.2-74.2171.5000111.4I136 E137 A138 A144 E169 V172 R173I136-L140 HydrophobicContact CG2-CD1 3.99Å; I136-L140 HydrophobicContact CG2-CG 4.3Å; I136-L140 WeakPolarHBondContact O-CG 3.41Å; I136-L140 PolarHBondContact O-N 2.82Å; E137-L140 PolarHBondContact O-N 3.2Å; A138-L140 PolarHBondContact O-N 2.87Å; L140-A144 VanDerWaalsContact O-CB 3.26Å; L140-A144 WeakPolarHBondContact O-CB 3.48Å; L140-A144 PolarHBondContact O-N 3.38Å; L140-E169 HydrophobicContact CD2-CG 3.71Å; L140-V172 HydrophobicContact CD2-CG1 4.4Å; L140-R173 HydrophobicContact CD1-CG 4.13Å; L140-R173 HydrophobicContact CD2-CG 3.83Å
141K92.9Very high89.6Confident134 Ų13454.5 Ų54.558%0.58328%0.277SS*.Hα-helixtrans-64.6-44173.8-71.2169.4-175.6172.40111.6E137 A138 W139 A144 Q145E137-K141 WeakPolarHBondContact O-CG 3.49Å; E137-K141 PolarHBondContact O-N 2.88Å; A138-K141 WeakPolarHBondContact O-CB 3.49Å; A138-K141 PolarHBondContact O-N 3.48Å; W139-K141 VanDerWaalsContact C-N 3.28Å; W139-K141 PolarHBondContact O-N 3.06Å; K141-A144 PolarHBondContact O-N 3.33Å; K141-Q145 VanDerWaalsContact O-CG 3.3Å; K141-Q145 WeakPolarHBondContact O-CG 3.38Å; K141-Q145 PolarHBondContact O-N 2.94Å
142E91.8Very high89.6Confident102 Ų10257.6 Ų57.648%0.47729%0.29SS..Hα-helixtrans-61.5-45.5176.5-71.5173.4-160.700111.9A138 W139 Q145 Y146 V210A138-E142 WeakPolarHBondContact O-CG 3.11Å; A138-E142 PolarHBondContact O-N 3.36Å; W139-E142 PolarHBondContact O-N 2.8Å; E142-Q145 PolarHBondContact O-N 3.01Å; E142-Y146 WeakPolarHBondContact O-CB 3.48Å; E142-Y146 PolarHBondContact O-N 3.42Å; E142-V210 HydrophobicContact CB-CG2 4.15Å
143V90.7Very high89.4Confident0 Ų062 Ų620%031%0.31CS..Hα-helixtrans-64.9-41.6176.7173.80000111.6W139 Q145 Y146 L147 W165 E169 V210W139-V143 HydrophobicContact CD2-CG2 3.84Å; W139-V143 HydrophobicContact CE3-CG2 3.99Å; W139-V143 HydrophobicContact CH2-CG2 3.68Å; W139-V143 HydrophobicContact CZ2-CG2 3.5Å; W139-V143 HydrophobicContact CZ3-CG2 3.9Å; W139-V143 WeakPolarHBondContact O-CG2 3.39Å; W139-V143 PolarHBondContact O-N 3.13Å; V143-Q145 VanDerWaalsContact C-N 3.32Å; V143-Q145 PolarHBondContact O-N 3.36Å; V143-Y146 PolarHBondContact O-N 3.4Å; V143-L147 HydrophobicContact CG1-CD1 3.81Å; V143-L147 HydrophobicContact CG1-CG 4.15Å; V143-L147 WeakPolarHBondContact O-CB 3.4Å; V143-L147 VanDerWaalsContact O-CG 3.32Å; V143-L147 WeakPolarHBondContact O-CG 3.49Å; V143-L147 PolarHBondContact O-N 3.12Å; V143-W165 HydrophobicContact CG2-CE3 4.31Å; V143-W165 HydrophobicContact CG2-CZ3 4.41Å; V143-E169 HydrophobicContact CG1-CB 4.01Å; V143-E169 HydrophobicContact CG1-CG 4.01Å; V143-V210 HydrophobicContact CG2-CG1 4.36Å; V143-V210 HydrophobicContact CG2-CG2 3.45Å; V143-V210 VanDerWaalsContact CG2-CG2 3.45Å
144A91.9Very high88.9Confident45 Ų4563.7 Ų63.737%0.37232%0.317SS..Hα-helixtrans-61.5-41.8176.900000111.6L140 K141 N148L140-A144 VanDerWaalsContact O-CB 3.26Å; L140-A144 WeakPolarHBondContact O-CB 3.48Å; L140-A144 PolarHBondContact O-N 3.38Å; K141-A144 PolarHBondContact O-N 3.33Å; A144-N148 VanDerWaalsContact O-CB 3.3Å; A144-N148 WeakPolarHBondContact O-CB 3.48Å; A144-N148 PolarHBondContact O-N 3.07Å
145Q91.6Very high88.2Confident130 Ų13063.8 Ų63.861%0.60732%0.316SS*.Hα-helixtrans-62.5-47.9173.9-72.5170.74.700111.3K141 E142 V143 L147 N148 T149K141-Q145 VanDerWaalsContact O-CG 3.3Å; K141-Q145 WeakPolarHBondContact O-CG 3.38Å; K141-Q145 PolarHBondContact O-N 2.94Å; E142-Q145 PolarHBondContact O-N 3.01Å; V143-Q145 VanDerWaalsContact C-N 3.32Å; V143-Q145 PolarHBondContact O-N 3.36Å; Q145-L147 PolarHBondContact O-N 3.33Å; Q145-N148 WeakPolarHBondContact O-CB 3.23Å; Q145-N148 PolarHBondContact O-N 3.42Å; Q145-N148 VanDerWaalsContact O-N 3.15Å; Q145-T149 PolarHBondContact O-N 2.91Å; Q145-T149 PolarHBondContact O-OG1 3.04Å
146Y88.9Confident87.6Confident29 Ų2964.8 Ų64.811%0.11433%0.327CS..Hα-helixtrans-57.8-49177.7174.8-100.2000112.6E142 V143 N148 T149 L150 W165 V210 P211 V213E142-Y146 WeakPolarHBondContact O-CB 3.48Å; E142-Y146 PolarHBondContact O-N 3.42Å; V143-Y146 PolarHBondContact O-N 3.4Å; Y146-N148 VanDerWaalsContact C-N 3.27Å; Y146-N148 PolarHBondContact O-N 2.91Å; Y146-T149 PolarHBondContact O-N 2.86Å; Y146-L150 HydrophobicContact CD1-CD1 4.11Å; Y146-L150 HydrophobicContact CE1-CD1 3.41Å; Y146-L150 VanDerWaalsContact CE1-CD1 3.41Å; Y146-L150 HydrophobicContact CE1-CG 4.17Å; Y146-L150 HydrophobicContact CE2-CD1 4.42Å; Y146-L150 HydrophobicContact CE2-CG 4.46Å; Y146-L150 PolarHBondContact O-N 3.23Å; Y146-W165 HydrophobicContact CD1-CG 4.29Å; Y146-W165 HydrophobicContact CE1-CB 4.43Å; Y146-W165 AromaticContact CE1-CD1 3.53Å; Y146-W165 HydrophobicContact CE1-CD2 4.3Å; Y146-W165 AromaticContact CE1-CG 3.84Å; Y146-W165 HydrophobicContact CE1-CG 3.84Å; Y146-W165 AromaticContact CE1-NE1 3.83Å; Y146-V210 HydrophobicContact CD2-CG1 4.35Å; Y146-V210 HydrophobicContact CG-CG1 3.98Å; Y146-P211 WeakPolarHBondContact CD2-O 3.49Å; Y146-P211 HydrophobicContact CE2-CB 4.18Å; Y146-P211 WeakPolarHBondContact CE2-O 3.46Å; Y146-V213 HydrophobicContact CD2-CG2 3.63Å; Y146-V213 HydrophobicContact CE2-CG2 3.43Å; Y146-V213 VanDerWaalsContact CE2-CG2 3.43Å
147L89.1Confident86.8Confident7 Ų771.3 Ų71.34%0.03736%0.357CS..Hα-helixtrans-62.2-35.2177-72.4174.3000112V143 Q145 R151 R162 W165 E166V143-L147 HydrophobicContact CG1-CD1 3.81Å; V143-L147 HydrophobicContact CG1-CG 4.15Å; V143-L147 WeakPolarHBondContact O-CB 3.4Å; V143-L147 VanDerWaalsContact O-CG 3.32Å; V143-L147 WeakPolarHBondContact O-CG 3.49Å; V143-L147 PolarHBondContact O-N 3.12Å; Q145-L147 PolarHBondContact O-N 3.33Å; L147-R151 WeakPolarHBondContact O-CB 3.36Å; L147-R151 PolarHBondContact O-N 2.78Å; L147-R151 VanDerWaalsContact O-N 3.08Å; L147-R162 HydrophobicContact CD2-CG 3.75Å; L147-W165 HydrophobicContact CD2-CB 3.69Å; L147-W165 HydrophobicContact CG-CB 4.41Å; L147-E166 HydrophobicContact CD1-CG 3.88Å; L147-E166 HydrophobicContact CD2-CG 4.04Å
148N89.2Confident86.2Confident84 Ų8471.2 Ų71.245%0.44935%0.354SS..Hα-helixtrans-68.3-44175.5-170.562.2000111.9A144 Q145 Y146 L150 R151 V152A144-N148 VanDerWaalsContact O-CB 3.3Å; A144-N148 WeakPolarHBondContact O-CB 3.48Å; A144-N148 PolarHBondContact O-N 3.07Å; Q145-N148 WeakPolarHBondContact O-CB 3.23Å; Q145-N148 PolarHBondContact O-N 3.42Å; Q145-N148 VanDerWaalsContact O-N 3.15Å; Y146-N148 VanDerWaalsContact C-N 3.27Å; Y146-N148 PolarHBondContact O-N 2.91Å; N148-L150 PolarHBondContact O-N 2.96Å; N148-R151 WeakPolarHBondContact O-CB 3.33Å; N148-R151 PolarHBondContact O-N 2.95Å; N148-R151 VanDerWaalsContact O-N 3.1Å; N148-V152 WeakPolarHBondContact O-CG2 3.36Å; N148-V152 PolarHBondContact O-N 3.48Å
149T88.1Confident85.7Confident35 Ų3573.8 Ų73.822%0.21536%0.358CS..Hα-helixtrans-58.2-48.3174.2-59.30000111.1Q145 Y146 R151 V152 E153 V213Q145-T149 PolarHBondContact O-N 2.91Å; Q145-T149 PolarHBondContact O-OG1 3.04Å; Y146-T149 PolarHBondContact O-N 2.86Å; T149-R151 PolarHBondContact O-N 3.44Å; T149-V152 PolarHBondContact O-N 3.46Å; T149-E153 HydrophobicContact CG2-CG 4.35Å; T149-E153 WeakPolarHBondContact O-CB 3.02Å; T149-E153 PolarHBondContact O-N 2.71Å; T149-V213 HydrophobicContact CG2-CB 4.38Å; T149-V213 HydrophobicContact CG2-CG1 4.38Å; T149-V213 HydrophobicContact CG2-CG2 4.27Å
150L85.3Confident85.2Confident6 Ų679.6 Ų79.63%0.03139%0.386CS..Hα-helixtrans-59.9-32.9175.9-69-175.7000112.8Y146 N148 F154 Y158 V213Y146-L150 HydrophobicContact CD1-CD1 4.11Å; Y146-L150 HydrophobicContact CE1-CD1 3.41Å; Y146-L150 VanDerWaalsContact CE1-CD1 3.41Å; Y146-L150 HydrophobicContact CE1-CG 4.17Å; Y146-L150 HydrophobicContact CE2-CD1 4.42Å; Y146-L150 HydrophobicContact CE2-CG 4.46Å; Y146-L150 PolarHBondContact O-N 3.23Å; N148-L150 PolarHBondContact O-N 2.96Å; L150-F154 HydrophobicContact CD2-CD2 4.47Å; L150-F154 CarbonylContact O-C 3.36Å; L150-F154 PolarHBondContact O-N 3.36Å; L150-F154 VanDerWaalsContact O-O 3.05Å; L150-Y158 HydrophobicContact CD2-CD2 3.93Å; L150-Y158 HydrophobicContact CD2-CG 4.06Å; L150-V213 HydrophobicContact CD2-CG2 4.42Å
151R86.5Confident84.9Confident129 Ų12981.4 Ų81.449%0.48740%0.395SS..Hα-helixtrans-73.9-42.3179.7-173.6-175.9-62.7163.20.1112.6L147 N148 T149L147-R151 WeakPolarHBondContact O-CB 3.36Å; L147-R151 PolarHBondContact O-N 2.78Å; L147-R151 VanDerWaalsContact O-N 3.08Å; N148-R151 WeakPolarHBondContact O-CB 3.33Å; N148-R151 PolarHBondContact O-N 2.95Å; N148-R151 VanDerWaalsContact O-N 3.1Å; T149-R151 PolarHBondContact O-N 3.44Å
152V87Confident84.5Confident100 Ų10077.9 Ų77.961%0.60638%0.379SS*.Hα-helixtrans-83.6-44.2-174.4175.90000111.4N148 T149N148-V152 WeakPolarHBondContact O-CG2 3.36Å; N148-V152 PolarHBondContact O-N 3.48Å; T149-V152 PolarHBondContact O-N 3.46Å
153E80.1Confident84.3Confident92 Ų9274.1 Ų74.143%0.4337%0.367SS..Hα-helixtrans-92.3-26.6-172-62.8-171.4-159.900113.8T149 H215T149-E153 HydrophobicContact CG2-CG 4.35Å; T149-E153 WeakPolarHBondContact O-CB 3.02Å; T149-E153 PolarHBondContact O-N 2.71Å; E153-H215 IonicContact OE1-CE1 3.34Å; E153-H215 PolarHBondContact OE1-CE1 2.99Å; E153-H215 IonicContact OE1-ND1 3.85Å; E153-H215 IonicContact OE2-CE1 3.56Å; E153-H215 PolarHBondContact OE2-CE1 2.96Å; E153-H215 IonicContact OE2-ND1 3.98Å; E153-H215 PolarHBondContact OE2-ND1 2.81Å
154F78.8Confident84.3Confident56 Ų5678.5 Ų78.525%0.24639%0.386CS..  trans-133.562-177-54.6-78.1000112.7L150 Q156 Q157 Y158 V213L150-F154 HydrophobicContact CD2-CD2 4.47Å; L150-F154 CarbonylContact O-C 3.36Å; L150-F154 PolarHBondContact O-N 3.36Å; L150-F154 VanDerWaalsContact O-O 3.05Å; F154-Q156 PolarHBondContact O-N 3.38Å; F154-Q157 HydrophobicContact CB-CB 4.36Å; F154-Q157 PolarHBondContact O-N 3.26Å; F154-Y158 HydrophobicContact CB-CD2 3.51Å; F154-Y158 HydrophobicContact CB-CE2 3.87Å; F154-Y158 HydrophobicContact CD1-CD2 4.47Å; F154-Y158 AromaticContact CD1-CE2 3.95Å; F154-Y158 HydrophobicContact CD1-CE2 3.95Å; F154-Y158 HydrophobicContact CD2-CD2 4.35Å; F154-Y158 HydrophobicContact CD2-CE2 4.19Å; F154-Y158 AromaticContact CG-CD2 3.87Å; F154-Y158 HydrophobicContact CG-CD2 3.87Å; F154-Y158 AromaticContact CG-CE2 3.72Å; F154-Y158 HydrophobicContact CG-CE2 3.72Å; F154-V213 HydrophobicContact CE2-CG1 4.06Å
155P76.1Confident84.3Confident74 Ų7477.3 Ų77.348%0.48137%0.372SS..THydrogen-bonded Turntrans-59.5-28.7-167.5-23.533.9000114.7H159P155-H159 PolarHBondContact O-CE1 3.49Å; P155-H159 PolarHBondContact O-NE2 3.45Å
156Q76.1Confident84.3Confident169 Ų16974.7 Ų74.779%0.7936%0.359SS*.THydrogen-bonded Turntrans-113.8-14.5-176.5-60.4-156.85.200115.7F154 H159F154-Q156 PolarHBondContact O-N 3.38Å; Q156-H159 WeakPolarHBondContact CA-NE2 3.47Å; Q156-H159 PolarHBondContact O-CD2 3.18Å; Q156-H159 VanDerWaalsContact O-CD2 3.24Å
157Q72.9Confident84.5Confident141 Ų14180.8 Ų80.866%0.65939%0.387SS*.THydrogen-bonded Turntrans-89.6-21.4-166.3-164.2168.6-11.100114.1F154F154-Q157 HydrophobicContact CB-CB 4.36Å; F154-Q157 PolarHBondContact O-N 3.26Å
158Y77.7Confident84.6Confident86 Ų8684.1 Ų84.134%0.33740%0.401SS..  trans-127.630.6-174-62.3-77.9000114.5L150 F154 H160 D161 R162L150-Y158 HydrophobicContact CD2-CD2 3.93Å; L150-Y158 HydrophobicContact CD2-CG 4.06Å; F154-Y158 HydrophobicContact CB-CD2 3.51Å; F154-Y158 HydrophobicContact CB-CE2 3.87Å; F154-Y158 HydrophobicContact CD1-CD2 4.47Å; F154-Y158 AromaticContact CD1-CE2 3.95Å; F154-Y158 HydrophobicContact CD1-CE2 3.95Å; F154-Y158 HydrophobicContact CD2-CD2 4.35Å; F154-Y158 HydrophobicContact CD2-CE2 4.19Å; F154-Y158 AromaticContact CG-CD2 3.87Å; F154-Y158 HydrophobicContact CG-CD2 3.87Å; F154-Y158 AromaticContact CG-CE2 3.72Å; F154-Y158 HydrophobicContact CG-CE2 3.72Å; Y158-H160 VanDerWaalsContact C-N 3.29Å; Y158-H160 PolarHBondContact O-N 3.28Å; Y158-D161 PolarHBondContact O-N 3.08Å; Y158-R162 WeakPolarHBondContact O-CB 3.47Å; Y158-R162 PolarHBondContact O-N 3.04Å
159H80Confident84.7Confident98 Ų9881.2 Ų81.245%0.45438%0.384SS..Hα-helixtrans-54.3-41.7-178.5-75.6-61.8000113.9P155 Q156 G163P155-H159 PolarHBondContact O-CE1 3.49Å; P155-H159 PolarHBondContact O-NE2 3.45Å; Q156-H159 WeakPolarHBondContact CA-NE2 3.47Å; Q156-H159 PolarHBondContact O-CD2 3.18Å; Q156-H159 VanDerWaalsContact O-CD2 3.24Å; H159-G163 PolarHBondContact O-N 2.98Å; H159-G163 VanDerWaalsContact O-N 3.14Å
160H83.9Confident84.8Confident134 Ų13480.9 Ų80.962%0.6239%0.388SS*.Hα-helixtrans-69.2-42.9-178.5-176.865.9000112.4Y158 G163 K164Y158-H160 VanDerWaalsContact C-N 3.29Å; Y158-H160 PolarHBondContact O-N 3.28Å; H160-G163 PolarHBondContact O-N 3.4Å; H160-K164 VanDerWaalsContact CD2-CE 3.41Å; H160-K164 WeakPolarHBondContact CD2-CE 3.22Å; H160-K164 PolarHBondContact CD2-NZ 2.92Å; H160-K164 WeakPolarHBondContact NE2-CE 3.48Å; H160-K164 PolarHBondContact NE2-NZ 2.89Å; H160-K164 WeakPolarHBondContact O-CG 3.45Å; H160-K164 PolarHBondContact O-N 3.4Å
161D83.4Confident85.1Confident58 Ų5886.1 Ų86.131%0.3142%0.416SS..Hα-helixtrans-72.1-34.1178.9-68.2-29.8000111.9Y158 K164 W165Y158-D161 PolarHBondContact O-N 3.08Å; D161-K164 WeakPolarHBondContact O-CB 3.38Å; D161-K164 PolarHBondContact O-N 3.25Å; D161-K164 IonicContact OD1-NZ 3.52Å; D161-K164 PolarHBondContact OD1-NZ 2.85Å; D161-W165 PolarHBondContact O-N 3.29Å
162R84.4Confident85.4Confident61 Ų6180.7 Ų80.723%0.2340%0.397CS..Hα-helixtrans-57.4-50.4170.6-166179.670.8-165.6-0.2111.1L147 Y158 K164 W165 E166L147-R162 HydrophobicContact CD2-CG 3.75Å; Y158-R162 WeakPolarHBondContact O-CB 3.47Å; Y158-R162 PolarHBondContact O-N 3.04Å; R162-K164 VanDerWaalsContact C-N 3.31Å; R162-K164 PolarHBondContact O-N 2.65Å; R162-W165 PolarHBondContact O-N 3.5Å; R162-E166 IonicContact NE-OE1 2.74Å; R162-E166 WeakPolarHBondContact O-CB 3.47Å; R162-E166 VanDerWaalsContact O-CG 3.31Å; R162-E166 WeakPolarHBondContact O-CG 3.35Å; R162-E166 PolarHBondContact O-N 3.24Å
163G88.3Confident85.7Confident22 Ų2281.4 Ų81.423%0.22739%0.389CS..Hα-helixtrans-62.9-32.9176.900000113.8H159 H160 K167H159-G163 PolarHBondContact O-N 2.98Å; H159-G163 VanDerWaalsContact O-N 3.14Å; H160-G163 PolarHBondContact O-N 3.4Å; G163-K167 VanDerWaalsContact O-CG 3.29Å; G163-K167 WeakPolarHBondContact O-CG 3.26Å; G163-K167 PolarHBondContact O-N 3.3Å; G163-K167 VanDerWaalsContact O-N 3.14Å
164K91Very high86.2Confident92 Ų9284 Ų8440%0.440%0.399SS..Hα-helixtrans-65.5-45.8172.6-75.9175.9-177.2155.10112.1H160 D161 R162 K167 K168H160-K164 VanDerWaalsContact CD2-CE 3.41Å; H160-K164 WeakPolarHBondContact CD2-CE 3.22Å; H160-K164 PolarHBondContact CD2-NZ 2.92Å; H160-K164 WeakPolarHBondContact NE2-CE 3.48Å; H160-K164 PolarHBondContact NE2-NZ 2.89Å; H160-K164 WeakPolarHBondContact O-CG 3.45Å; H160-K164 PolarHBondContact O-N 3.4Å; D161-K164 WeakPolarHBondContact O-CB 3.38Å; D161-K164 PolarHBondContact O-N 3.25Å; D161-K164 IonicContact OD1-NZ 3.52Å; D161-K164 PolarHBondContact OD1-NZ 2.85Å; R162-K164 VanDerWaalsContact C-N 3.31Å; R162-K164 PolarHBondContact O-N 2.65Å; K164-K167 PolarHBondContact O-N 3.33Å; K164-K168 WeakPolarHBondContact O-CG 3.46Å; K164-K168 PolarHBondContact O-N 2.93Å
165W91.1Very high86.7Confident20 Ų2083 Ų838%0.07640%0.399CS..Hα-helixtrans-71.4-36.1-178.7-80.5103.5000112.2W139 V143 Y146 L147 D161 R162 K167 K168 E169 P208 H209 P211W139-W165 HydrophobicContact CZ2-CZ3 4.17Å; V143-W165 HydrophobicContact CG2-CE3 4.31Å; V143-W165 HydrophobicContact CG2-CZ3 4.41Å; Y146-W165 HydrophobicContact CD1-CG 4.29Å; Y146-W165 HydrophobicContact CE1-CB 4.43Å; Y146-W165 AromaticContact CE1-CD1 3.53Å; Y146-W165 HydrophobicContact CE1-CD2 4.3Å; Y146-W165 AromaticContact CE1-CG 3.84Å; Y146-W165 HydrophobicContact CE1-CG 3.84Å; Y146-W165 AromaticContact CE1-NE1 3.83Å; L147-W165 HydrophobicContact CD2-CB 3.69Å; L147-W165 HydrophobicContact CG-CB 4.41Å; D161-W165 PolarHBondContact O-N 3.29Å; R162-W165 PolarHBondContact O-N 3.5Å; W165-K167 VanDerWaalsContact C-N 3.32Å; W165-K167 PolarHBondContact O-N 3.23Å; W165-K168 HydrophobicContact CD2-CD 4.21Å; W165-K168 HydrophobicContact CE3-CB 4.42Å; W165-K168 HydrophobicContact CE3-CD 3.9Å; W165-K168 HydrophobicContact CH2-CD 4.22Å; W165-K168 HydrophobicContact CZ3-CD 3.93Å; W165-K168 PolarHBondContact O-N 2.9Å; W165-E169 WeakPolarHBondContact O-CB 3.39Å; W165-E169 PolarHBondContact O-N 3.39Å; W165-P208 HydrophobicContact CH2-CB 4.31Å; W165-P208 HydrophobicContact CZ3-CB 4.38Å; W165-H209 WeakPolarHBondContact CH2-O 3.47Å; W165-P211 HydrophobicContact CH2-CG 4.45Å; W165-P211 HydrophobicContact CZ2-CG 3.64Å
166E92.9Very high87.4Confident75 Ų7581 Ų8135%0.3538%0.383SS..Hα-helixtrans-59-41.7169.6-73.5167.8173.400111.6L147 R162 E169 G170L147-E166 HydrophobicContact CD1-CG 3.88Å; L147-E166 HydrophobicContact CD2-CG 4.04Å; R162-E166 IonicContact NE-OE1 2.74Å; R162-E166 WeakPolarHBondContact O-CB 3.47Å; R162-E166 VanDerWaalsContact O-CG 3.31Å; R162-E166 WeakPolarHBondContact O-CG 3.35Å; R162-E166 PolarHBondContact O-N 3.24Å; E166-E169 PolarHBondContact O-N 3.45Å; E166-G170 PolarHBondContact O-N 3.2Å
167K93.4Very high88.2Confident158 Ų15875.6 Ų75.669%0.68737%0.367SS*.Hα-helixtrans-63.8-44.7173.6-74.1174.3-176.8-177.20112.3G163 K164 W165 E169 G170 L171G163-K167 VanDerWaalsContact O-CG 3.29Å; G163-K167 WeakPolarHBondContact O-CG 3.26Å; G163-K167 PolarHBondContact O-N 3.3Å; G163-K167 VanDerWaalsContact O-N 3.14Å; K164-K167 PolarHBondContact O-N 3.33Å; W165-K167 VanDerWaalsContact C-N 3.32Å; W165-K167 PolarHBondContact O-N 3.23Å; K167-E169 VanDerWaalsContact C-N 3.34Å; K167-G170 PolarHBondContact O-N 3.46Å; K167-L171 WeakPolarHBondContact O-CG 3.44Å; K167-L171 PolarHBondContact O-N 3.02Å
168K89.4Confident89Confident77 Ų7774.3 Ų74.334%0.33536%0.361SS..Hα-helixtrans-62-42.2176.8-72.9178.1-179.9179.90111.7K164 W165 L171 V172K164-K168 WeakPolarHBondContact O-CG 3.46Å; K164-K168 PolarHBondContact O-N 2.93Å; W165-K168 HydrophobicContact CD2-CD 4.21Å; W165-K168 HydrophobicContact CE3-CB 4.42Å; W165-K168 HydrophobicContact CE3-CD 3.9Å; W165-K168 HydrophobicContact CH2-CD 4.22Å; W165-K168 HydrophobicContact CZ3-CD 3.93Å; W165-K168 PolarHBondContact O-N 2.9Å; K168-L171 PolarHBondContact O-N 3.01Å; K168-V172 WeakPolarHBondContact O-CG2 3.49Å; K168-V172 PolarHBondContact O-N 3.42Å
169E91.5Very high89.6Confident22 Ų2270.5 Ų70.510%0.10335%0.347CS..Hα-helixtrans-59.8-46.6175.5-164.8-162.4-161.700111.2L140 V143 W165 E166 K167 L171 V172 R173L140-E169 HydrophobicContact CD2-CG 3.71Å; V143-E169 HydrophobicContact CG1-CB 4.01Å; V143-E169 HydrophobicContact CG1-CG 4.01Å; W165-E169 WeakPolarHBondContact O-CB 3.39Å; W165-E169 PolarHBondContact O-N 3.39Å; E166-E169 PolarHBondContact O-N 3.45Å; K167-E169 VanDerWaalsContact C-N 3.34Å; E169-L171 VanDerWaalsContact C-N 3.35Å; E169-L171 PolarHBondContact O-N 3.44Å; E169-V172 PolarHBondContact O-N 3.32Å; E169-R173 VanDerWaalsContact CD-CZ 3.44Å; E169-R173 VanDerWaalsContact CD-NH2 3.27Å; E169-R173 VanDerWaalsContact CG-NH1 3.33Å; E169-R173 WeakPolarHBondContact O-CG 3.33Å; E169-R173 PolarHBondContact O-N 2.87Å; E169-R173 IonicContact OE1-CZ 3.77Å; E169-R173 VanDerWaalsContact OE1-CZ 3.26Å; E169-R173 IonicContact OE1-NH1 2.67Å; E169-R173 PolarHBondContact OE1-NH1 3.07Å; E169-R173 IonicContact OE1-NH2 3.27Å; E169-R173 PolarHBondContact OE1-NH2 2.95Å; E169-R173 IonicContact OE2-CZ 3.77Å; E169-R173 IonicContact OE2-NH1 3.73Å; E169-R173 PolarHBondContact OE2-NH1 3.37Å; E169-R173 IonicContact OE2-NH2 2.65Å
170G90.4Very high90.2Very high29 Ų2970.8 Ų70.830%0.29935%0.348SS..Hα-helixtrans-61-39175.100000113.6E166 K167 K174E166-G170 PolarHBondContact O-N 3.2Å; K167-G170 PolarHBondContact O-N 3.46Å; G170-K174 WeakPolarHBondContact O-CG 3.43Å; G170-K174 PolarHBondContact O-N 3.21Å; G170-K174 VanDerWaalsContact O-N 3.11Å
171L93.1Very high90.7Very high116 Ų11667.2 Ų67.261%0.60734%0.338SS*.Hα-helixtrans-65.2-45.1175-73.1170.9000112K167 K168 E169 R173 K174 S175K167-L171 WeakPolarHBondContact O-CG 3.44Å; K167-L171 PolarHBondContact O-N 3.02Å; K168-L171 PolarHBondContact O-N 3.01Å; E169-L171 VanDerWaalsContact C-N 3.35Å; E169-L171 PolarHBondContact O-N 3.44Å; L171-R173 VanDerWaalsContact C-N 3.34Å; L171-R173 PolarHBondContact O-N 3.25Å; L171-K174 PolarHBondContact O-N 3.41Å; L171-S175 WeakPolarHBondContact O-CB 3.41Å; L171-S175 PolarHBondContact O-N 3.15Å
172V91.9Very high91.1Very high15 Ų1570.7 Ų70.79%0.09135%0.347CS..Hα-helixtrans-64.9-38.3177.9171.10000111.2I136 W139 L140 K168 E169 K174 S175 Q176 L207I136-V172 HydrophobicContact CG2-CG1 3.73Å; W139-V172 HydrophobicContact CE3-CB 4.07Å; W139-V172 HydrophobicContact CE3-CG1 3.67Å; W139-V172 HydrophobicContact CE3-CG2 4.18Å; W139-V172 HydrophobicContact CH2-CB 3.91Å; W139-V172 HydrophobicContact CH2-CG1 4.41Å; W139-V172 HydrophobicContact CH2-CG2 3.5Å; W139-V172 VanDerWaalsContact CH2-CG2 3.5Å; W139-V172 HydrophobicContact CZ2-CG2 4.14Å; W139-V172 HydrophobicContact CZ3-CB 3.44Å; W139-V172 VanDerWaalsContact CZ3-CB 3.44Å; W139-V172 HydrophobicContact CZ3-CG1 3.59Å; W139-V172 HydrophobicContact CZ3-CG2 3.54Å; L140-V172 HydrophobicContact CD2-CG1 4.4Å; K168-V172 WeakPolarHBondContact O-CG2 3.49Å; K168-V172 PolarHBondContact O-N 3.42Å; E169-V172 PolarHBondContact O-N 3.32Å; V172-K174 PolarHBondContact O-N 2.87Å; V172-S175 PolarHBondContact O-N 3.38Å; V172-Q176 WeakPolarHBondContact O-CB 3.27Å; V172-Q176 PolarHBondContact O-N 3.25Å; V172-L207 HydrophobicContact CB-CD2 4.47Å; V172-L207 HydrophobicContact CG1-CD2 3.62Å; V172-L207 HydrophobicContact CG2-CD2 3.95Å
173R92.4Very high91.3Very high115 Ų11567.8 Ų67.843%0.43434%0.336SS..Hα-helixtrans-62.1-41.1173.5-75.3-167.7-177100.63.7113.1L140 E169 L171 Q176 A177L140-R173 HydrophobicContact CD1-CG 4.13Å; L140-R173 HydrophobicContact CD2-CG 3.83Å; E169-R173 VanDerWaalsContact CD-CZ 3.44Å; E169-R173 VanDerWaalsContact CD-NH2 3.27Å; E169-R173 VanDerWaalsContact CG-NH1 3.33Å; E169-R173 WeakPolarHBondContact O-CG 3.33Å; E169-R173 PolarHBondContact O-N 2.87Å; E169-R173 IonicContact OE1-CZ 3.77Å; E169-R173 VanDerWaalsContact OE1-CZ 3.26Å; E169-R173 IonicContact OE1-NH1 2.67Å; E169-R173 PolarHBondContact OE1-NH1 3.07Å; E169-R173 IonicContact OE1-NH2 3.27Å; E169-R173 PolarHBondContact OE1-NH2 2.95Å; E169-R173 IonicContact OE2-CZ 3.77Å; E169-R173 IonicContact OE2-NH1 3.73Å; E169-R173 PolarHBondContact OE2-NH1 3.37Å; E169-R173 IonicContact OE2-NH2 2.65Å; L171-R173 VanDerWaalsContact C-N 3.34Å; L171-R173 PolarHBondContact O-N 3.25Å; R173-Q176 WeakPolarHBondContact O-CB 3.45Å; R173-Q176 PolarHBondContact O-N 3.26Å; R173-A177 PolarHBondContact O-N 3.15Å
174K90.9Very high91.6Very high147 Ų14771.9 Ų71.964%0.63935%0.349SS*.Hα-helixtrans-64-46.6174.6-72.3178.5-179.4-174.90111.1G170 L171 V172 Q176 A177 E178G170-K174 WeakPolarHBondContact O-CG 3.43Å; G170-K174 PolarHBondContact O-N 3.21Å; G170-K174 VanDerWaalsContact O-N 3.11Å; L171-K174 PolarHBondContact O-N 3.41Å; V172-K174 PolarHBondContact O-N 2.87Å; K174-Q176 VanDerWaalsContact C-N 3.29Å; K174-Q176 PolarHBondContact O-N 3.33Å; K174-A177 PolarHBondContact O-N 3.43Å; K174-E178 WeakPolarHBondContact O-CG 3.33Å; K174-E178 PolarHBondContact O-N 3.41Å
175S90.7Very high91.7Very high35 Ų3571.8 Ų71.825%0.24535%0.35CS..Hα-helixtrans-61.9-35.8177-172.60000112.6L171 V172 E178 L179 P205L171-S175 WeakPolarHBondContact O-CB 3.41Å; L171-S175 PolarHBondContact O-N 3.15Å; V172-S175 PolarHBondContact O-N 3.38Å; S175-E178 PolarHBondContact O-N 2.87Å; S175-L179 VanDerWaalsContact O-CB 3.23Å; S175-L179 WeakPolarHBondContact O-CB 3.01Å; S175-L179 PolarHBondContact O-N 3.36Å; S175-P205 WeakPolarHBondContact OG-CG 3.35Å
176Q89.9Confident91.6Very high30 Ų3071.3 Ų71.314%0.1435%0.35CS..Hα-helixtrans-59.7-48173.2-174.2-1752.900111.5M133 I136 V172 R173 K174 L179 Q180M133-Q176 HydrophobicContact CE-CG 3.82Å; M133-Q176 HydrophobicContact SD-CG 3.91Å; I136-Q176 HydrophobicContact CD1-CB 4.33Å; I136-Q176 HydrophobicContact CD1-CG 4.28Å; I136-Q176 HydrophobicContact CG2-CB 4.01Å; I136-Q176 HydrophobicContact CG2-CG 3.92Å; V172-Q176 WeakPolarHBondContact O-CB 3.27Å; V172-Q176 PolarHBondContact O-N 3.25Å; R173-Q176 WeakPolarHBondContact O-CB 3.45Å; R173-Q176 PolarHBondContact O-N 3.26Å; K174-Q176 VanDerWaalsContact C-N 3.29Å; K174-Q176 PolarHBondContact O-N 3.33Å; Q176-L179 PolarHBondContact O-N 2.89Å; Q176-Q180 WeakPolarHBondContact O-CB 3.25Å; Q176-Q180 PolarHBondContact O-N 3.22Å
177A92.4Very high91.6Very high57 Ų5768 Ų6847%0.47133%0.334SS..Hα-helixtrans-63.8-42.717900000111.9R173 K174 Q180 S181R173-A177 PolarHBondContact O-N 3.15Å; K174-A177 PolarHBondContact O-N 3.43Å; A177-Q180 PolarHBondContact O-N 3.48Å; A177-S181 PolarHBondContact O-N 3.48Å
178E91Very high91.7Very high114 Ų11465.5 Ų65.553%0.53333%0.325SS..Hα-helixtrans-62.9-44.6175.5-70.2171.3-164.700112K174 S175 Q180 S181 R182K174-E178 WeakPolarHBondContact O-CG 3.33Å; K174-E178 PolarHBondContact O-N 3.41Å; S175-E178 PolarHBondContact O-N 2.87Å; E178-Q180 VanDerWaalsContact C-N 3.33Å; E178-Q180 PolarHBondContact O-N 2.96Å; E178-S181 PolarHBondContact O-N 2.81Å; E178-R182 WeakPolarHBondContact O-CG 3.39Å; E178-R182 PolarHBondContact O-N 3.46Å
179L89.8Confident91.9Very high6 Ų664.3 Ų64.33%0.03132%0.321CS..Hα-helixtrans-63-40.9177.6-178.263.5000111.4A132 I136 S175 Q176 R182 F183 I202 P205A132-L179 HydrophobicContact CB-CD2 4.2Å; I136-L179 HydrophobicContact CD1-CD2 3.97Å; S175-L179 VanDerWaalsContact O-CB 3.23Å; S175-L179 WeakPolarHBondContact O-CB 3.01Å; S175-L179 PolarHBondContact O-N 3.36Å; Q176-L179 PolarHBondContact O-N 2.89Å; L179-R182 PolarHBondContact O-N 2.99Å; L179-F183 HydrophobicContact CD1-CD2 4.01Å; L179-F183 HydrophobicContact CD1-CE2 3.61Å; L179-F183 HydrophobicContact CD1-CZ 4.45Å; L179-F183 HydrophobicContact CD2-CE2 4.03Å; L179-F183 HydrophobicContact CG-CD2 3.85Å; L179-F183 HydrophobicContact CG-CE2 3.6Å; L179-F183 VanDerWaalsContact O-CD2 3.24Å; L179-F183 WeakPolarHBondContact O-CD2 3.42Å; L179-F183 PolarHBondContact O-N 3.02Å; L179-I202 HydrophobicContact CD1-CG2 3.53Å; L179-P205 HydrophobicContact CD2-CG 4.48Å
180Q92.9Very high91.8Very high103 Ų10363.3 Ų63.348%0.48132%0.316SS..Hα-helixtrans-61.2-43.5175.6-173.6175.8100111.7M133 Q176 A177 E178 F183 Q184M133-Q180 HydrophobicContact CE-CB 4.18Å; M133-Q180 HydrophobicContact CE-CG 4.21Å; M133-Q180 HydrophobicContact SD-CB 4.43Å; Q176-Q180 WeakPolarHBondContact O-CB 3.25Å; Q176-Q180 PolarHBondContact O-N 3.22Å; A177-Q180 PolarHBondContact O-N 3.48Å; E178-Q180 VanDerWaalsContact C-N 3.33Å; E178-Q180 PolarHBondContact O-N 2.96Å; Q180-F183 PolarHBondContact O-N 2.86Å; Q180-Q184 PolarHBondContact O-N 2.74Å
181S94.4Very high91.9Very high59 Ų5967.9 Ų67.941%0.41333%0.329SS..Hα-helixtrans-59.4-46.4173.8-168.10000111.8A177 E178 F183 Q184 E185A177-S181 PolarHBondContact O-N 3.48Å; E178-S181 PolarHBondContact O-N 2.81Å; S181-F183 PolarHBondContact O-N 3.17Å; S181-Q184 WeakPolarHBondContact O-CB 3.3Å; S181-Q184 PolarHBondContact O-N 2.7Å; S181-Q184 VanDerWaalsContact O-N 3.08Å; S181-E185 WeakPolarHBondContact O-CG 3.47Å; S181-E185 PolarHBondContact O-N 3.02Å; S181-E185 PolarHBondContact OG-OE1 3.07Å
182R90.8Very high91.9Very high131 Ų13168.8 Ų68.849%0.49433%0.331SS..Hα-helixtrans-60.8-42.2178.9-71176.9-178.4-118.23.3112.9E178 L179 Q184 E185 V186E178-R182 WeakPolarHBondContact O-CG 3.39Å; E178-R182 PolarHBondContact O-N 3.46Å; L179-R182 PolarHBondContact O-N 2.99Å; R182-Q184 VanDerWaalsContact C-N 3.33Å; R182-E185 PolarHBondContact O-N 2.89Å; R182-V186 WeakPolarHBondContact O-CG2 3.3Å; R182-V186 PolarHBondContact O-N 3.45Å; R182-V186 VanDerWaalsContact O-N 3.07Å
183F88.6Confident91.6Very high0 Ų070.7 Ų70.70%035%0.353CS..Hα-helixtrans-61.9-42.2173.5-83.6-68.1000111.4V125 Q128 R129 A132 L179 Q180 S181 V186 L187 I202V125-F183 HydrophobicContact CG1-CD1 3.97Å; V125-F183 HydrophobicContact CG1-CE1 4.42Å; Q128-F183 HydrophobicContact CB-CE1 4.15Å; Q128-F183 HydrophobicContact CG-CE1 3.97Å; Q128-F183 HydrophobicContact CG-CZ 3.98Å; R129-F183 HydrophobicContact CB-CB 4.15Å; R129-F183 HydrophobicContact CB-CD1 3.69Å; R129-F183 HydrophobicContact CB-CD2 3.95Å; R129-F183 HydrophobicContact CB-CE1 4.02Å; R129-F183 HydrophobicContact CB-CE2 4.24Å; R129-F183 HydrophobicContact CB-CG 3.68Å; R129-F183 HydrophobicContact CB-CZ 4.29Å; R129-F183 HydrophobicContact CG-CB 3.94Å; R129-F183 HydrophobicContact CG-CD1 4.37Å; R129-F183 HydrophobicContact CG-CD2 3.9Å; R129-F183 HydrophobicContact CG-CG 3.83Å; A132-F183 HydrophobicContact CB-CE2 4.23Å; A132-F183 HydrophobicContact CB-CZ 4.46Å; L179-F183 HydrophobicContact CD1-CD2 4.01Å; L179-F183 HydrophobicContact CD1-CE2 3.61Å; L179-F183 HydrophobicContact CD1-CZ 4.45Å; L179-F183 HydrophobicContact CD2-CE2 4.03Å; L179-F183 HydrophobicContact CG-CD2 3.85Å; L179-F183 HydrophobicContact CG-CE2 3.6Å; L179-F183 VanDerWaalsContact O-CD2 3.24Å; L179-F183 WeakPolarHBondContact O-CD2 3.42Å; L179-F183 PolarHBondContact O-N 3.02Å; Q180-F183 PolarHBondContact O-N 2.86Å; S181-F183 PolarHBondContact O-N 3.17Å; F183-V186 PolarHBondContact O-N 3.41Å; F183-L187 WeakPolarHBondContact O-CB 3.42Å; F183-L187 VanDerWaalsContact O-CG 3.23Å; F183-L187 WeakPolarHBondContact O-CG 3.44Å; F183-L187 PolarHBondContact O-N 2.96Å; F183-I202 HydrophobicContact CD1-CD1 3.24Å; F183-I202 HydrophobicContact CD1-CG2 4.35Å; F183-I202 HydrophobicContact CD2-CG2 4.32Å; F183-I202 HydrophobicContact CE1-CB 4.36Å; F183-I202 HydrophobicContact CE1-CD1 3.41Å; F183-I202 VanDerWaalsContact CE1-CD1 3.41Å; F183-I202 HydrophobicContact CE1-CG1 4.48Å; F183-I202 HydrophobicContact CE1-CG2 3.9Å; F183-I202 HydrophobicContact CE2-CG2 3.88Å; F183-I202 HydrophobicContact CG-CD1 3.96Å; F183-I202 HydrophobicContact CZ-CB 4.48Å; F183-I202 HydrophobicContact CZ-CD1 4.26Å; F183-I202 HydrophobicContact CZ-CG2 3.64Å
184Q94.7Very high91.4Very high109 Ų10972.4 Ų72.451%0.50936%0.359SS..Hα-helixtrans-63.6-41.8178.8-170.360.451.200112.3Q180 S181 R182 L187 Q188Q180-Q184 PolarHBondContact O-N 2.74Å; S181-Q184 WeakPolarHBondContact O-CB 3.3Å; S181-Q184 PolarHBondContact O-N 2.7Å; S181-Q184 VanDerWaalsContact O-N 3.08Å; R182-Q184 VanDerWaalsContact C-N 3.33Å; Q184-L187 PolarHBondContact O-N 3.29Å; Q184-Q188 WeakPolarHBondContact O-CB 3.5Å; Q184-Q188 PolarHBondContact O-N 3.42Å
185E92.9Very high91Very high90 Ų9072 Ų7242%0.42136%0.36SS..Hα-helixtrans-63.5-44.1176.7-72.1162.3-143.400112S181 R182 Q188 Q189S181-E185 WeakPolarHBondContact O-CG 3.47Å; S181-E185 PolarHBondContact O-N 3.02Å; S181-E185 PolarHBondContact OG-OE1 3.07Å; R182-E185 PolarHBondContact O-N 2.89Å; E185-Q188 PolarHBondContact O-N 2.9Å; E185-Q189 WeakPolarHBondContact O-CB 3.37Å; E185-Q189 VanDerWaalsContact O-CG 3.28Å; E185-Q189 WeakPolarHBondContact O-CG 3.35Å; E185-Q189 PolarHBondContact O-N 3.21Å; E185-Q189 PolarHBondContact O-NE2 2.91Å
186V90.5Very high90.4Very high10 Ų1073.6 Ų73.66%0.06137%0.365CS..Hα-helixtrans-64.6-45.5177167.30000110.9V125 R182 F183 Q188 Q189 L190 L196 L199 I202V125-V186 HydrophobicContact CG1-CG1 4.17Å; R182-V186 WeakPolarHBondContact O-CG2 3.3Å; R182-V186 PolarHBondContact O-N 3.45Å; R182-V186 VanDerWaalsContact O-N 3.07Å; F183-V186 PolarHBondContact O-N 3.41Å; V186-Q188 VanDerWaalsContact C-N 3.31Å; V186-Q188 PolarHBondContact O-N 3.45Å; V186-Q189 PolarHBondContact O-N 2.82Å; V186-L190 HydrophobicContact CG1-CD1 4.17Å; V186-L190 HydrophobicContact CG1-CG 4.46Å; V186-L190 WeakPolarHBondContact O-CG 3.45Å; V186-L190 PolarHBondContact O-N 2.99Å; V186-L196 HydrophobicContact CG1-CD1 4.44Å; V186-L199 HydrophobicContact CG1-CD1 3.82Å; V186-I202 HydrophobicContact CB-CD1 4.01Å; V186-I202 HydrophobicContact CG1-CD1 4.16Å; V186-I202 HydrophobicContact CG2-CD1 3.87Å; V186-I202 HydrophobicContact CG2-CG1 4.01Å
187L92.2Very high90Very high4 Ų479.1 Ų79.12%0.02139%0.391CS..Hα-helixtrans-59.9-41.6176.7-71.9170.4000111.8I122 V125 E126 F183 Q184 L190 Q191I122-L187 HydrophobicContact CG2-CD2 4.02Å; V125-L187 HydrophobicContact CB-CD2 3.88Å; V125-L187 HydrophobicContact CG1-CD2 3.66Å; V125-L187 HydrophobicContact CG1-CG 3.96Å; E126-L187 HydrophobicContact CG-CD1 3.99Å; E126-L187 HydrophobicContact CG-CD2 3.71Å; F183-L187 WeakPolarHBondContact O-CB 3.42Å; F183-L187 VanDerWaalsContact O-CG 3.23Å; F183-L187 WeakPolarHBondContact O-CG 3.44Å; F183-L187 PolarHBondContact O-N 2.96Å; Q184-L187 PolarHBondContact O-N 3.29Å; L187-L190 PolarHBondContact O-N 3.42Å; L187-Q191 VanDerWaalsContact O-CG 3.3Å; L187-Q191 WeakPolarHBondContact O-CG 3.44Å; L187-Q191 PolarHBondContact O-N 3.49Å
188Q95.3Very high89.5Confident106 Ų10680 Ų8050%0.49539%0.393SS..Hα-helixtrans-64.7-41.2176.2-176.517664.800111.9Q184 E185 V186 Q191 Q192Q184-Q188 WeakPolarHBondContact O-CB 3.5Å; Q184-Q188 PolarHBondContact O-N 3.42Å; E185-Q188 PolarHBondContact O-N 2.9Å; V186-Q188 VanDerWaalsContact C-N 3.31Å; V186-Q188 PolarHBondContact O-N 3.45Å; Q188-Q191 PolarHBondContact O-N 3.22Å; Q188-Q192 WeakPolarHBondContact O-CG 3.39Å; Q188-Q192 PolarHBondContact O-N 2.97Å; Q188-Q192 VanDerWaalsContact O-N 3.11Å
189Q93.1Very high89.1Confident53 Ų5375.3 Ų75.325%0.24837%0.372CS..Hα-helixtrans-67.2-39.1177.9-73.6176.462.600112.3E185 V186 Q192 G193 R194 L199E185-Q189 WeakPolarHBondContact O-CB 3.37Å; E185-Q189 VanDerWaalsContact O-CG 3.28Å; E185-Q189 WeakPolarHBondContact O-CG 3.35Å; E185-Q189 PolarHBondContact O-N 3.21Å; E185-Q189 PolarHBondContact O-NE2 2.91Å; V186-Q189 PolarHBondContact O-N 2.82Å; Q189-Q192 WeakPolarHBondContact O-CB 3.49Å; Q189-Q192 PolarHBondContact O-N 2.94Å; Q189-G193 PolarHBondContact O-N 3.25Å; Q189-R194 HydrophobicContact CB-CB 4.31Å; Q189-R194 HydrophobicContact CB-CG 4.23Å; Q189-R194 VanDerWaalsContact O-CB 3.31Å; Q189-R194 WeakPolarHBondContact O-CB 3.33Å; Q189-R194 PolarHBondContact O-N 2.9Å; Q189-R194 VanDerWaalsContact O-N 3.11Å; Q189-L199 HydrophobicContact CB-CD1 4.12Å; Q189-L199 HydrophobicContact CB-CD2 3.87Å; Q189-L199 HydrophobicContact CG-CD2 4.47Å
190L90Very high88.5Confident0 Ų079.6 Ų79.60%040%0.401CS..Hα-helixtrans-61.6-44172.5-69.3173.1000111.2L118 I122 V125 V186 L187 Q192 G193 R194 L196 L199L118-L190 HydrophobicContact CD1-CB 4.32Å; L118-L190 WeakPolarHBondContact CD1-O 3.44Å; I122-L190 HydrophobicContact CD1-CB 4.48Å; I122-L190 HydrophobicContact CG1-CB 3.94Å; I122-L190 HydrophobicContact CG1-CD1 4.27Å; V125-L190 HydrophobicContact CB-CD1 4.49Å; V125-L190 HydrophobicContact CG2-CD1 3.96Å; V186-L190 HydrophobicContact CG1-CD1 4.17Å; V186-L190 HydrophobicContact CG1-CG 4.46Å; V186-L190 WeakPolarHBondContact O-CG 3.45Å; V186-L190 PolarHBondContact O-N 2.99Å; L187-L190 PolarHBondContact O-N 3.42Å; L190-Q192 PolarHBondContact O-N 3.08Å; L190-G193 WeakPolarHBondContact O-CA 3.45Å; L190-G193 PolarHBondContact O-N 3.42Å; L190-R194 WeakPolarHBondContact CD2-O 3.39Å; L190-L196 HydrophobicContact CD1-CD1 4.13Å; L190-L196 HydrophobicContact CD2-CB 3.9Å; L190-L196 HydrophobicContact CD2-CD1 4.16Å; L190-L199 HydrophobicContact CD2-CD1 3.7Å; L190-L199 HydrophobicContact CG-CD1 3.8Å
191Q92.2Very high87.7Confident125 Ų12580 Ų8058%0.58440%0.397SS*.Hα-helixtrans-60.6-28.4175.4-73.8174-10.400113.1I122 L187 Q188 G193I122-Q191 HydrophobicContact CD1-CG 3.92Å; L187-Q191 VanDerWaalsContact O-CG 3.3Å; L187-Q191 WeakPolarHBondContact O-CG 3.44Å; L187-Q191 PolarHBondContact O-N 3.49Å; Q188-Q191 PolarHBondContact O-N 3.22Å; Q191-G193 PolarHBondContact O-N 3.23Å
192Q92.9Very high87.1Confident136 Ų13678.4 Ų78.464%0.63638%0.384SS*.THydrogen-bonded Turntrans-79-0.7173.3-67.4168.512.900113.5Q188 Q189 L190Q188-Q192 WeakPolarHBondContact O-CG 3.39Å; Q188-Q192 PolarHBondContact O-N 2.97Å; Q188-Q192 VanDerWaalsContact O-N 3.11Å; Q189-Q192 WeakPolarHBondContact O-CB 3.49Å; Q189-Q192 PolarHBondContact O-N 2.94Å; L190-Q192 PolarHBondContact O-N 3.08Å
193G86.8Confident86.5Confident54 Ų5477.5 Ų77.556%0.55739%0.389SS*.THydrogen-bonded Turntrans87.215.8178.300000114.8Q189 L190 Q191Q189-G193 PolarHBondContact O-N 3.25Å; L190-G193 WeakPolarHBondContact O-CA 3.45Å; L190-G193 PolarHBondContact O-N 3.42Å; Q191-G193 PolarHBondContact O-N 3.23Å
194R88.1Confident86Confident151 Ų15179.7 Ų79.757%0.5740%0.403SS*.  trans-69.3143.7167.5-70.8-90.6-159.9-151.1-0.1109.7Q189 L190 L199Q189-R194 HydrophobicContact CB-CB 4.31Å; Q189-R194 HydrophobicContact CB-CG 4.23Å; Q189-R194 VanDerWaalsContact O-CB 3.31Å; Q189-R194 WeakPolarHBondContact O-CB 3.33Å; Q189-R194 PolarHBondContact O-N 2.9Å; Q189-R194 VanDerWaalsContact O-N 3.11Å; L190-R194 WeakPolarHBondContact CD2-O 3.39Å; R194-L199 HydrophobicContact CB-CD2 3.96Å; R194-L199 HydrophobicContact CG-CD2 4.38Å
195E82.4Confident85.1Confident139 Ų13976.7 Ų76.765%0.6539%0.392SS*.  trans-77137174.8-62179.9159.900110.6E197 S198E195-E197 PolarHBondContact O-N 3.26Å; E195-E197 VanDerWaalsContact O-N 3.16Å; E195-S198 WeakPolarHBondContact O-CB 3.41Å; E195-S198 PolarHBondContact O-N 3.35Å; E195-S198 PolarHBondContact O-OG 3.39Å
196L78.4Confident84.6Confident68 Ų6878.8 Ų78.836%0.35641%0.411SS..G310 helixtrans-55.1-34.7179.2-17663.1000113.5V125 V186 L190 S198 L199V125-L196 HydrophobicContact CG2-CD1 3.9Å; V186-L196 HydrophobicContact CG1-CD1 4.44Å; L190-L196 HydrophobicContact CD1-CD1 4.13Å; L190-L196 HydrophobicContact CD2-CB 3.9Å; L190-L196 HydrophobicContact CD2-CD1 4.16Å; L196-S198 PolarHBondContact O-N 2.87Å; L196-L199 PolarHBondContact O-N 3.44Å
197E81.4Confident84.3Confident147 Ų14780.6 Ų80.669%0.68742%0.421SS*.G310 helixtrans-67.1-26180-62.6-175.9-172.800113.1E195 L199 R266E195-E197 PolarHBondContact O-N 3.26Å; E195-E197 VanDerWaalsContact O-N 3.16Å; E197-L199 VanDerWaalsContact C-N 3.34Å; E197-R266 IonicContact OE1-NH1 2.84Å
198S80.8Confident84Confident74 Ų7482.7 Ų82.752%0.51744%0.435SS..G310 helixtrans-84.1-11.6179.173.50000113.2E195 L196E195-S198 WeakPolarHBondContact O-CB 3.41Å; E195-S198 PolarHBondContact O-N 3.35Å; E195-S198 PolarHBondContact O-OG 3.39Å; L196-S198 PolarHBondContact O-N 2.87Å
199L83.8Confident83.6Confident16 Ų1685.3 Ų85.38%0.08445%0.446CS..SBendtrans-86.5148.1-174.5-61.5-178000111.9V186 Q189 L190 R194 L196 E197 R201V186-L199 HydrophobicContact CG1-CD1 3.82Å; Q189-L199 HydrophobicContact CB-CD1 4.12Å; Q189-L199 HydrophobicContact CB-CD2 3.87Å; Q189-L199 HydrophobicContact CG-CD2 4.47Å; L190-L199 HydrophobicContact CD2-CD1 3.7Å; L190-L199 HydrophobicContact CG-CD1 3.8Å; R194-L199 HydrophobicContact CB-CD2 3.96Å; R194-L199 HydrophobicContact CG-CD2 4.38Å; L196-L199 PolarHBondContact O-N 3.44Å; E197-L199 VanDerWaalsContact C-N 3.34Å; L199-R201 PolarHBondContact O-N 2.88Å
200P77.3Confident83.3Confident97 Ų9783.4 Ų83.463%0.6344%0.438SS*.PPolyproline II helixtrans-56.7128.9173.6-22.632.9000110.9I202P200-I202 PolarHBondContact O-N 3.41Å
201R75.4Confident83Confident110 Ų11085.9 Ų85.942%0.41546%0.455SS..PPolyproline II helixtrans-61.4135.1179.3-65.6-171.3-168.9-152.47.8110.9L199 N203 N249L199-R201 PolarHBondContact O-N 2.88Å; R201-N203 PolarHBondContact O-N 3.48Å; R201-N249 WeakPolarHBondContact CD-OD1 3.36Å; R201-N249 PolarHBondContact NE-ND2 3.45Å; R201-N249 PolarHBondContact NE-OD1 3.29Å; R201-N249 VanDerWaalsContact NE-OD1 3.08Å; R201-N249 VanDerWaalsContact NH1-CB 3.28Å; R201-N249 VanDerWaalsContact NH1-CG 3.27Å; R201-N249 VanDerWaalsContact NH1-N 3.19Å; R201-N249 PolarHBondContact NH1-OD1 2.92Å; R201-N249 VanDerWaalsContact NH2-CB 3.28Å; R201-N249 PolarHBondContact NH2-ND2 2.95Å
202I80.9Confident81.9Confident27 Ų2787.4 Ų87.414%0.13846%0.463CS..  trans-82.4112.9175.4-53.3178.5000108.6V125 L179 F183 V186 P200V125-I202 HydrophobicContact CG1-CD1 4.48Å; L179-I202 HydrophobicContact CD1-CG2 3.53Å; F183-I202 HydrophobicContact CD1-CD1 3.24Å; F183-I202 HydrophobicContact CD1-CG2 4.35Å; F183-I202 HydrophobicContact CD2-CG2 4.32Å; F183-I202 HydrophobicContact CE1-CB 4.36Å; F183-I202 HydrophobicContact CE1-CD1 3.41Å; F183-I202 VanDerWaalsContact CE1-CD1 3.41Å; F183-I202 HydrophobicContact CE1-CG1 4.48Å; F183-I202 HydrophobicContact CE1-CG2 3.9Å; F183-I202 HydrophobicContact CE2-CG2 3.88Å; F183-I202 HydrophobicContact CG-CD1 3.96Å; F183-I202 HydrophobicContact CZ-CB 4.48Å; F183-I202 HydrophobicContact CZ-CD1 4.26Å; F183-I202 HydrophobicContact CZ-CG2 3.64Å; V186-I202 HydrophobicContact CB-CD1 4.01Å; V186-I202 HydrophobicContact CG1-CD1 4.16Å; V186-I202 HydrophobicContact CG2-CD1 3.87Å; V186-I202 HydrophobicContact CG2-CG1 4.01Å; P200-I202 PolarHBondContact O-N 3.41Å
203N78Confident80.4Confident111 Ų11182.9 Ų82.959%0.59445%0.445SS*.PPolyproline II helixtrans-88.2120.5174.7-68.1-61.1000109.5R201R201-N203 PolarHBondContact O-N 3.48Å
204V78.8Confident78.8Confident47 Ų4791.2 Ų91.229%0.28546%0.46SS..PPolyproline II helixtrans-86.2120.8173.5-177.70000108.2A132A132-V204 HydrophobicContact CB-CG1 4.12Å; A132-V204 HydrophobicContact CB-CG2 4.24Å
205P76.3Confident77.1Confident45 Ų4588.4 Ų88.429%0.29245%0.453SS..PPolyproline II helixtrans-66.7139-179.328.6-34.7000111.1S175 L179S175-P205 WeakPolarHBondContact OG-CG 3.35Å; L179-P205 HydrophobicContact CD2-CG 4.48Å
206T81.1Confident75Confident134 Ų13487.5 Ų87.582%0.82247%0.469SS*.PPolyproline II helixtrans-74.3132.5174.9-23.30000109.9
207L85.3Confident73.4Confident49 Ų4987.3 Ų87.326%0.25748%0.483SS..PPolyproline II helixtrans-91.8135.3-177.4-63.4171.8000111.1I136 W139 V172I136-L207 HydrophobicContact CG1-CD1 4.04Å; I136-L207 HydrophobicContact CG1-CD2 4.27Å; W139-L207 HydrophobicContact CB-CD1 3.71Å; W139-L207 HydrophobicContact CD2-CD2 4.38Å; W139-L207 HydrophobicContact CG-CB 4.13Å; W139-L207 HydrophobicContact CG-CD1 3.99Å; W139-L207 HydrophobicContact CG-CD2 4.48Å; W139-L207 HydrophobicContact CG-CG 4.43Å; V172-L207 HydrophobicContact CB-CD2 4.47Å; V172-L207 HydrophobicContact CG1-CD2 3.62Å; V172-L207 HydrophobicContact CG2-CD2 3.95Å
208P85.6Confident71.4Confident48 Ų4883.8 Ų83.831%0.31249%0.486SS..PPolyproline II helixtrans-61.7142.6176.2-21.531.7000112.2W139 W165 V210W139-P208 HydrophobicContact CZ2-CB 4.41Å; W139-P208 HydrophobicContact CZ2-CG 4.2Å; W139-P208 PolarHBondContact NE1-O 3.28Å; W165-P208 HydrophobicContact CH2-CB 4.31Å; W165-P208 HydrophobicContact CZ3-CB 4.38Å; P208-V210 PolarHBondContact O-N 3.01Å
209H86.5Confident69.6Low160 Ų16088.6 Ų88.674%0.74151%0.506SS*.PPolyproline II helixtrans-70.9127.2176.2-174.363.7000111.8W165 P211W165-H209 WeakPolarHBondContact CH2-O 3.47Å; H209-P211 WeakPolarHBondContact O-CD 3.31Å
210V86.7Confident67.4Low13 Ų1396.2 Ų96.28%0.07955%0.546CS..PPolyproline II helixtrans-78.5121.7177.9-171.10000109.5E142 V143 Y146 P208E142-V210 HydrophobicContact CB-CG2 4.15Å; V143-V210 HydrophobicContact CG2-CG1 4.36Å; V143-V210 HydrophobicContact CG2-CG2 3.45Å; V143-V210 VanDerWaalsContact CG2-CG2 3.45Å; Y146-V210 HydrophobicContact CD2-CG1 4.35Å; Y146-V210 HydrophobicContact CG-CG1 3.98Å; P208-V210 PolarHBondContact O-N 3.01Å
211P83.4Confident65.4Low53 Ų5394.2 Ų94.234%0.34454%0.542SS..PPolyproline II helixtrans-63.2138.5178.4-22.232.8000111.6Y146 W165 H209Y146-P211 WeakPolarHBondContact CD2-O 3.49Å; Y146-P211 HydrophobicContact CE2-CB 4.18Å; Y146-P211 WeakPolarHBondContact CE2-O 3.46Å; W165-P211 HydrophobicContact CH2-CG 4.45Å; W165-P211 HydrophobicContact CZ2-CG 3.64Å; H209-P211 WeakPolarHBondContact O-CD 3.31Å
212M70.9Confident63.7Low156 Ų15695 Ų9577%0.76856%0.562SS**PPolyproline II helixtrans-80123.6168.3-63.8-171.4-66.100109.4R214M212-R214 PolarHBondContact O-N 3.48Å
213V61.3Low61.5Low41 Ų41100.6 Ų100.625%0.24860%0.597CS.*  trans-71.2112.4169.4-174.50000107.6Y146 T149 L150 F154 H215Y146-V213 HydrophobicContact CD2-CG2 3.63Å; Y146-V213 HydrophobicContact CE2-CG2 3.43Å; Y146-V213 VanDerWaalsContact CE2-CG2 3.43Å; T149-V213 HydrophobicContact CG2-CB 4.38Å; T149-V213 HydrophobicContact CG2-CG1 4.38Å; T149-V213 HydrophobicContact CG2-CG2 4.27Å; L150-V213 HydrophobicContact CD2-CG2 4.42Å; F154-V213 HydrophobicContact CE2-CG1 4.06Å; V213-H215 PolarHBondContact O-N 3.5Å
214R53.5Low59.4Low230 Ų23098.8 Ų98.887%0.86860%0.604SS**  trans-82.1106.9173-72.7-174.1171-176.5-1.8108.4M212M212-R214 PolarHBondContact O-N 3.48Å
215H50.6Low57.2Low92 Ų92102.1 Ų102.143%0.42663%0.63SS.*  trans-71.6138.7168.7-53.1-90.9000109.3E153 V213 G217E153-H215 IonicContact OE1-CE1 3.34Å; E153-H215 PolarHBondContact OE1-CE1 2.99Å; E153-H215 IonicContact OE1-ND1 3.85Å; E153-H215 IonicContact OE2-CE1 3.56Å; E153-H215 PolarHBondContact OE2-CE1 2.96Å; E153-H215 IonicContact OE2-ND1 3.98Å; E153-H215 PolarHBondContact OE2-ND1 2.81Å; V213-H215 PolarHBondContact O-N 3.5Å; H215-G217 PolarHBondContact O-N 3.34Å
216A39.8Very low55.3Low120 Ų120111.5 Ų111.599%0.99266%0.66SS**SBendtrans-71.376.716600000109
217G43.4Very low53Low63 Ų63116.6 Ų116.665%0.64966%0.664SS**SBendtrans147.287.1176.100000114.2H215H215-G217 PolarHBondContact O-N 3.34Å
218G39.5Very low50.4Low73 Ų73118.1 Ų118.175%0.75369%0.691SS**  trans89127.2156.200000116.9L220G218-L220 PolarHBondContact O-N 2.97Å
219L43.8Very low47.7Very low176 Ų176119.2 Ų119.292%0.92171%0.712SS**  trans-70.4111.7174.7-72.6160.4000110.9
220L37.7Very low45Very low176 Ų176120.2 Ų120.292%0.92172%0.721SS**  trans-116.188.9148.7-76.1168.6000107G218G218-L220 PolarHBondContact O-N 2.97Å
221G36.1Very low42.5Very low54 Ų54123.6 Ų123.656%0.55776%0.759SS**  trans-67.7145.6167.800000109.7T223G221-T223 PolarHBondContact O-N 3.02Å
222P38.3Very low39.9Very low128 Ų128125 Ų12583%0.83177%0.77SS**  trans-60.5130.2166.626.7-31.6000107.8G224P222-G224 PolarHBondContact O-N 3.29Å
223T35.8Very low38.2Very low144 Ų144127.2 Ų127.288%0.88378%0.775SS**  trans-51.9105.5174.345.60000109.4G221 S225G221-T223 PolarHBondContact O-N 3.02Å; T223-S225 PolarHBondContact O-N 3.08Å
224G34.1Very low36.6Very low72 Ų72134.6 Ų134.674%0.74280%0.8SS**  trans-64.9114.8178.400000110.4P222 R226P222-G224 PolarHBondContact O-N 3.29Å; G224-R226 VanDerWaalsContact C-N 3.32Å; G224-R226 PolarHBondContact O-N 3.25Å; G224-R226 VanDerWaalsContact O-N 3.07Å
225S31.1Very low35.2Very low118 Ų118133.6 Ų133.683%0.82580%0.803SS**  trans-72.194.6156.8-162.10000107.2T223 R227T223-S225 PolarHBondContact O-N 3.08Å; S225-R227 PolarHBondContact O-N 3.16Å
226R37.3Very low34.2Very low242 Ų242136.6 Ų136.691%0.91382%0.82SS**  trans-56.2120.6164-87.6179.7-162.7-145.42.3108.4G224G224-R226 VanDerWaalsContact C-N 3.32Å; G224-R226 PolarHBondContact O-N 3.25Å; G224-R226 VanDerWaalsContact O-N 3.07Å
227R33.3Very low33.4Very low240 Ų240138.3 Ų138.391%0.90681%0.813SS**  trans-141116.8141.6-145.7173.1-74.1-122.43.6107.9S225S225-R227 PolarHBondContact O-N 3.16Å
228G30.8Very low33Very low81 Ų81139.9 Ų139.984%0.83581%0.813SS**  trans-72.6168.4-165.300000114.6
229G27.3Very low32.4Very low72 Ų72145.4 Ų145.474%0.74282%0.82SS**  trans166.190170.500000112.6
230L31.2Very low32.3Very low180 Ų180140.7 Ų140.794%0.94281%0.814SS**  trans53.1112.3149.7-63.1163.2000118
231G33.9Very low32Very low85 Ų85138.1 Ų138.188%0.87681%0.805SS**  trans-58.2139.2179.700000113.3
232S27.6Very low31.6Very low81 Ų81141 Ų14157%0.56681%0.812SS**  trans-123.9112.9156.5-144.60000107.7Y234S232-Y234 VanDerWaalsContact CB-CE2 3.47Å; S232-Y234 PolarHBondContact O-N 3.36Å; S232-Y234 WeakPolarHBondContact OG-CE2 3.37Å; S232-Y234 PolarHBondContact OG-OH 2.68Å
233K36.4Very low31.1Very low203 Ų203142.2 Ų142.288%0.88381%0.812SS**  trans-66.3120.5170.9-85.4177.3171.8177.10107.5
234Y27Very low30.7Very low197 Ų197140 Ų14077%0.77380%0.798SS**  trans-134.6127.1160.1-66-69.5000111.3S232S232-Y234 VanDerWaalsContact CB-CE2 3.47Å; S232-Y234 PolarHBondContact O-N 3.36Å; S232-Y234 WeakPolarHBondContact OG-CE2 3.37Å; S232-Y234 PolarHBondContact OG-OH 2.68Å
235F24.4Very low30.4Very low209 Ų209141.2 Ų141.292%0.91779%0.79SS**  trans-61.3147.3164.7-91.5-109.1000110.1
236I29.6Very low30.4Very low155 Ų155139.9 Ų139.980%0.79578%0.777SS**  trans-82.9131.5167.7-60173.5000106.7
237D23Very low30.1Very low156 Ų156135.2 Ų135.283%0.83477%0.765SS**  trans-129.9147.9153.1-146.4-5.4000111.2
238S35.1Very low30.5Very low95 Ų95130.2 Ų130.266%0.66475%0.751SS**  trans-102.391.8-166.6-420000107.5
239E27.8Very low30.8Very low189 Ų189130.2 Ų130.288%0.88373%0.732SS**SBendtrans-176.3134.5144.1-103.3174.2-158.200110.2T241E239-T241 PolarHBondContact O-N 3Å; E239-T241 VanDerWaalsContact O-N 3.13Å
240G39.8Very low31.3Very low77 Ų77136.6 Ų136.679%0.79473%0.733SS**SBendtrans-65113.4-173.500000111.1
241T32Very low31.4Very low122 Ų122133.5 Ų133.575%0.74872%0.717SS**  177.7114.3126.7-62.60000105.7E239E239-T241 PolarHBondContact O-N 3Å; E239-T241 VanDerWaalsContact O-N 3.13Å
242V27.3Very low31.2Very low116 Ų116138.1 Ų138.170%0.70372%0.716SS**  trans-125.294.9174.9-1590000109.8V244V242-V244 HydrophobicContact CG1-CG2 3.29Å; V242-V244 PolarHBondContact O-N 3.29Å
243N29.2Very low31.2Very low153 Ų153142.3 Ų142.382%0.81872%0.724SS**  trans-77.496.3154.6-79.3-43.3000107.2
244V27.5Very low30.9Very low98 Ų98138.3 Ų138.359%0.59472%0.719SS**  trans-96.9102.2159.6-170.90000107.1V242 T246V242-V244 HydrophobicContact CG1-CG2 3.29Å; V242-V244 PolarHBondContact O-N 3.29Å; V244-T246 VanDerWaalsContact C-N 3.29Å; V244-T246 HydrophobicContact CG1-CG2 4.14Å; V244-T246 PolarHBondContact O-N 2.83Å
245V27.6Very low31.2Very low97 Ų97135.3 Ų135.359%0.58872%0.721SS**  trans-68.896.1159.4178.50000105.9H247V245-H247 VanDerWaalsContact C-N 3.29Å; V245-H247 PolarHBondContact O-N 2.9Å
246T30.6Very low31.9Very low89 Ų89133.8 Ų133.855%0.54672%0.717SS.*  trans-68.299.416049.80000106.2V244 F248V244-T246 VanDerWaalsContact C-N 3.29Å; V244-T246 HydrophobicContact CG1-CG2 4.14Å; V244-T246 PolarHBondContact O-N 2.83Å; T246-F248 VanDerWaalsContact C-N 3.27Å; T246-F248 HydrophobicContact CG2-CE2 4.47Å; T246-F248 PolarHBondContact O-N 3.36Å
247H31.4Very low32.2Very low144 Ų144133.7 Ų133.767%0.66772%0.716SS**  trans-58.993.1169.7-85.3-99.2000108.5V245 N249V245-H247 VanDerWaalsContact C-N 3.29Å; V245-H247 PolarHBondContact O-N 2.9Å; H247-N249 VanDerWaalsContact C-N 3.31Å
248F41Very low32.6Very low136 Ų136135.4 Ų135.460%0.59672%0.717SS**  trans-97.444.6168.5-90.2-81.4000110.6T246 L251T246-F248 VanDerWaalsContact C-N 3.27Å; T246-F248 HydrophobicContact CG2-CE2 4.47Å; T246-F248 PolarHBondContact O-N 3.36Å; F248-L251 HydrophobicContact CD1-CD2 4.28Å; F248-L251 HydrophobicContact CE1-CD2 4.14Å
249N37.7Very low32.5Very low81 Ų81136.3 Ų136.343%0.43372%0.723SS.*SBendtrans-104125154.4-85.520.5000106.6R201 H247R201-N249 WeakPolarHBondContact CD-OD1 3.36Å; R201-N249 PolarHBondContact NE-ND2 3.45Å; R201-N249 PolarHBondContact NE-OD1 3.29Å; R201-N249 VanDerWaalsContact NE-OD1 3.08Å; R201-N249 VanDerWaalsContact NH1-CB 3.28Å; R201-N249 VanDerWaalsContact NH1-CG 3.27Å; R201-N249 VanDerWaalsContact NH1-N 3.19Å; R201-N249 PolarHBondContact NH1-OD1 2.92Å; R201-N249 VanDerWaalsContact NH2-CB 3.28Å; R201-N249 PolarHBondContact NH2-ND2 2.95Å; H247-N249 VanDerWaalsContact C-N 3.31Å
250R36.3Very low32.7Very low206 Ų206131.1 Ų131.178%0.77771%0.707SS**SBendtrans76.586.6-176.2-161.9175.3-87.9-125.5-1.6112.1E252R250-E252 PolarHBondContact O-N 3.48Å
251L34.6Very low32.6Very low114 Ų114133.9 Ų133.960%0.59770%0.704SS**  trans-52.9110.5155.8-74.9162.6000107.3F248 F253F248-L251 HydrophobicContact CD1-CD2 4.28Å; F248-L251 HydrophobicContact CE1-CD2 4.14Å; L251-F253 PolarHBondContact O-N 2.93Å; L251-F253 VanDerWaalsContact O-N 3.17Å
252E28.7Very low33.2Very low183 Ų183131.7 Ų131.786%0.85569%0.693SS**  trans-62.2110.2154.6-69.5-147.9145.500106.8R250R250-E252 PolarHBondContact O-N 3.48Å
253F28.5Very low33.6Very low168 Ų168131.1 Ų131.174%0.73769%0.693SS**  trans-65.4132.7169.2-76-93.5000108.1L251 T255L251-F253 PolarHBondContact O-N 2.93Å; L251-F253 VanDerWaalsContact O-N 3.17Å; F253-T255 PolarHBondContact O-N 3.12Å; F253-T255 VanDerWaalsContact O-N 3.07Å
254P29.1Very low33.9Very low119 Ų119129.1 Ų129.177%0.77369%0.686SS**  trans-56.2118.8164.9-18.630.2000108.2Q256P254-Q256 PolarHBondContact O-N 3.35Å
255T33.2Very low34.6Very low135 Ų135130.2 Ų130.283%0.82869%0.687SS**SBendtrans-62.584.9168.541.80000109F253F253-T255 PolarHBondContact O-N 3.12Å; F253-T255 VanDerWaalsContact O-N 3.07Å
256Q39.3Very low35.1Very low176 Ų176133.8 Ų133.882%0.82269%0.69SS**  trans-177.2125.6150.1-102160.943.300108.8P254P254-Q256 PolarHBondContact O-N 3.35Å
257I36.9Very low35.4Very low153 Ų153136.1 Ų136.179%0.78570%0.699SS**SBendtrans100.8110.1168.6-51.6163.1000113.8
258F30.4Very low35.3Very low192 Ų192139.6 Ų139.684%0.84271%0.706SS**  trans78.294.3-178.5-65.1-74.9000117.6C260F258-C260 VanDerWaalsContact C-N 3.28Å; F258-C260 PolarHBondContact O-N 3.06Å
259S34.2Very low34.9Very low114 Ų114144.3 Ų144.380%0.79772%0.72SS**  trans-57.688.7157.2-173.40000109.8
260C31.6Very low34.5Very low81 Ų81143.5 Ų143.555%0.54772%0.719SS.*  trans-87.6104.4164.8-173.10000107.9F258 S262 C263F258-C260 VanDerWaalsContact C-N 3.28Å; F258-C260 PolarHBondContact O-N 3.06Å; C260-S262 PolarHBondContact O-N 3.45Å; C260-S262 WeakPolarHBondContact SG-CB 3.42Å; C260-C263 PolarHBondContact O-N 3.44Å
261N38.2Very low34.4Very low135 Ų135139.3 Ų139.372%0.72272%0.719SS**THydrogen-bonded Turntrans-60.40.2174.5-81.6-7.2000113.8
262S43.5Very low34.3Very low76 Ų76139.7 Ų139.753%0.53173%0.725SS.*THydrogen-bonded Turntrans-88.4-21.6-176.9-1560000114.3C260 V264 I265C260-S262 PolarHBondContact O-N 3.45Å; C260-S262 WeakPolarHBondContact SG-CB 3.42Å; S262-V264 VanDerWaalsContact C-N 3.32Å; S262-V264 PolarHBondContact O-N 2.96Å; S262-I265 PolarHBondContact O-N 3.13Å
263C35.5Very low34.9Very low103 Ų103141.5 Ų141.570%0.69672%0.724SS**G310 helixtrans-76.2-15.8180-85.80000114.2C260 I265C260-C263 PolarHBondContact O-N 3.44Å; C263-I265 PolarHBondContact O-N 3.39Å
264V36.9Very low35.1Very low111 Ų111139.9 Ų139.967%0.67373%0.728SS**G310 helixtrans-72-15.1176-161.60000111.6S262S262-V264 VanDerWaalsContact C-N 3.32Å; S262-V264 PolarHBondContact O-N 2.96Å
265I40.6Very low35.6Very low121 Ų121139.8 Ų139.862%0.62173%0.725SS**G310 helixtrans-80.4-18.8-172.3-57-169.9000113.1S262 C263S262-I265 PolarHBondContact O-N 3.13Å; C263-I265 PolarHBondContact O-N 3.39Å
266R39.6Very low35.7Very low173 Ų173138.7 Ų138.765%0.65372%0.721SS**G310 helixtrans-83.3-5.6177.9-74.1-160.3-173.6-170.89.1115.1E121 E197E121-R266 IonicContact OE1-CZ 3.14Å; E121-R266 IonicContact OE1-NH1 3.43Å; E121-R266 IonicContact OE1-NH2 3.73Å; E121-R266 PolarHBondContact OE1-NH2 3.41Å; E121-R266 VanDerWaalsContact OE1-NH2 3.08Å; E197-R266 IonicContact OE1-NH1 2.84Å
267L35.9Very low35.5Very low138 Ų138135.9 Ų135.972%0.72372%0.717SS**G310 helixtrans-103.63.3173.7-98148.6000114
268W29Very low35.6Very low216 Ų216134.3 Ų134.382%0.81872%0.717SS**  trans-120.575.6172.3-11545.8000110.3P270W268-P270 WeakPolarHBondContact O-CD 3.43Å
269R33.7Very low35.8Very low235 Ų235130.2 Ų130.289%0.88771%0.712SS**  trans-103.884.5148.1-175.1-178-75.3-100.14.7107.1
270P29.1Very low35.8Very low64 Ų64133.4 Ų133.442%0.41672%0.719SS.*  trans-65.7147.115819.6-11.4000107.5W268 V272W268-P270 WeakPolarHBondContact O-CD 3.43Å; P270-V272 PolarHBondContact O-N 3.45Å
271P34.3Very low36.1Very low119 Ų119133.5 Ų133.577%0.77372%0.721SS**  trans-61110.3164.526.9-29.1000106.1R273P271-R273 PolarHBondContact O-N 2.92Å
272V32.3Very low36Very low121 Ų121133.3 Ų133.373%0.73373%0.727SS**  trans-68.485.6170.7-178.80000106.5P270 V274P270-V272 PolarHBondContact O-N 3.45Å; V272-V274 HydrophobicContact CG1-CG2 4.08Å; V272-V274 PolarHBondContact O-N 3.43Å
273R40.8Very low35.4Very low222 Ų222134.5 Ų134.584%0.83874%0.735SS**  trans-67.9118.2142.4-80.3-172.5-166.7-135.41.7104.9P271 T275P271-R273 PolarHBondContact O-N 2.92Å; R273-T275 VanDerWaalsContact C-N 3.26Å; R273-T275 PolarHBondContact O-N 2.87Å
274V33.2Very low35.7Very low133 Ų133134.6 Ų134.681%0.80674%0.735SS**  trans-65.792.9171.5-173.80000106.9V272V272-V274 HydrophobicContact CG1-CG2 4.08Å; V272-V274 PolarHBondContact O-N 3.43Å
275T39.6Very low35.6Very low117 Ų117135.1 Ų135.172%0.71874%0.741SS**PPolyproline II helixtrans-95.3129.1156.746.70000107.2R273R273-T275 VanDerWaalsContact C-N 3.26Å; R273-T275 PolarHBondContact O-N 2.87Å
276P34.9Very low35.4Very low113 Ų113135.9 Ų135.973%0.73475%0.75SS**PPolyproline II helixtrans-65.6144.9-178.626.5-31.8000111
277P35.8Very low35.4Very low116 Ų116134.7 Ų134.775%0.75376%0.757SS**PPolyproline II helixtrans-71.1152178.428.7-32.3000111.7S279P277-S279 PolarHBondContact O-N 3.41Å
278P38.1Very low35.6Very low121 Ų121133.8 Ų133.879%0.78676%0.759SS**PPolyproline II helixtrans-68.7129.3173.729.4-31.1000109.6L280P278-L280 PolarHBondContact O-N 3.13Å
279S35.3Very low36.2Very low105 Ų105130.1 Ų130.173%0.73475%0.754SS**PPolyproline II helixtrans-66.7117.1174.544.50000110.3P277 S281P277-S279 PolarHBondContact O-N 3.41Å; S279-S281 VanDerWaalsContact C-N 3.32Å; S279-S281 PolarHBondContact O-N 3.22Å
280L33.3Very low36.6Very low181 Ų181120.8 Ų120.895%0.94873%0.731SS**  trans-88.578.7162.7-73.1172.9000108.3P278P278-L280 PolarHBondContact O-N 3.13Å
281S39.3Very low37.7Very low83 Ų83123 Ų12358%0.5875%0.746SS**  trans-103.5145.9156.6-61.80000107.8S279 S283S279-S281 VanDerWaalsContact C-N 3.32Å; S279-S281 PolarHBondContact O-N 3.22Å; S281-S283 PolarHBondContact O-N 3.11Å
282P34.6Very low38.5Very low132 Ų132124.8 Ų124.886%0.85774%0.744SS**  trans-63.3106171.726.8-30.2000107.6
283S32.5Very low40.1Very low100 Ų100125.4 Ų125.470%0.69974%0.737SS**PPolyproline II helixtrans-74.3135.6176.2-62.50000109.1S281S281-S283 PolarHBondContact O-N 3.11Å
284P40.4Very low41.7Very low106 Ų106118.8 Ų118.869%0.68872%0.717SS**PPolyproline II helixtrans-63.3156.8162.329.6-32.4000109V286P284-V286 PolarHBondContact O-N 2.99Å; P284-V286 VanDerWaalsContact O-N 3.16Å
285P35.1Very low43.7Very low122 Ų122118.7 Ų118.779%0.79271%0.708SS**PPolyproline II helixtrans-57.4125-172.623-31.8000110.5L287P285-L287 PolarHBondContact O-N 3.17Å
286V36.8Very low45.6Very low136 Ų136120.2 Ų120.282%0.82471%0.705SS**  trans-62.6103.6173.7175.80000108P284P284-V286 PolarHBondContact O-N 2.99Å; P284-V286 VanDerWaalsContact O-N 3.16Å
287L39.6Very low47.8Very low149 Ų149116.2 Ų116.278%0.7868%0.679SS**  trans-87.4135.7159.2-77.1165.7000108.3P285 L289P285-L287 PolarHBondContact O-N 3.17Å; L287-L289 PolarHBondContact O-N 3.39Å
288P39.9Very low49.9Very low119 Ų119111.6 Ų111.677%0.77365%0.647SS**  trans-58.7129179.921.5-30.1000110.8G290P288-G290 PolarHBondContact O-N 2.97Å; P288-G290 VanDerWaalsContact O-N 3.09Å
289L41.7Very low52Low138 Ų138112.5 Ų112.572%0.72364%0.641SS**  trans-70.5101.9-178.3-152.975000109L287 K293L287-L289 PolarHBondContact O-N 3.39Å; L289-K293 HydrophobicContact CD1-CD 3.72Å; L289-K293 HydrophobicContact CG-CD 4.23Å
290G41.8Very low54.2Low39 Ų39113.2 Ų113.240%0.40263%0.631SS.*  trans-68.2162.3-17900000114.4P288 E292P288-G290 PolarHBondContact O-N 2.97Å; P288-G290 VanDerWaalsContact O-N 3.09Å; G290-E292 PolarHBondContact O-N 2.96Å; G290-E292 VanDerWaalsContact O-N 3.08Å
291P53.1Low56.6Low112 Ų112104.6 Ų104.673%0.72759%0.586SS**THydrogen-bonded Turntrans-58.7-19.1-177.421.9-32.7000115.1K293 L294P291-K293 VanDerWaalsContact C-N 3.35Å; P291-K293 PolarHBondContact O-N 3.38Å; P291-L294 PolarHBondContact O-N 3.42Å
292E51Low58.5Low156 Ų156101.9 Ų101.973%0.72957%0.571SS**Hα-helixtrans-67.7-26.2-175.9-61.5-173.6156.500114.8G290 K296G290-E292 PolarHBondContact O-N 2.96Å; G290-E292 VanDerWaalsContact O-N 3.08Å; E292-K296 PolarHBondContact O-N 3.29Å
293K65.6Low60.8Low134 Ų13499.7 Ų99.758%0.58356%0.564SS**Hα-helixtrans-78.8-31.9-178.7-74.8-176.7179.2-179.80112.8L289 P291 V297L289-K293 HydrophobicContact CD1-CD 3.72Å; L289-K293 HydrophobicContact CG-CD 4.23Å; P291-K293 VanDerWaalsContact C-N 3.35Å; P291-K293 PolarHBondContact O-N 3.38Å; K293-V297 WeakPolarHBondContact O-CG2 3.41Å; K293-V297 PolarHBondContact O-N 2.92Å
294L74.1Confident63Low82 Ų82103 Ų10343%0.42956%0.561SS.*Hα-helixtrans-68.1-39176.7-17864.2000110.6P291 V297 L298 M314P291-L294 PolarHBondContact O-N 3.42Å; L294-V297 PolarHBondContact O-N 3.19Å; L294-L298 HydrophobicContact CG-CD1 4.06Å; L294-L298 HydrophobicContact CG-CG 4.43Å; L294-L298 WeakPolarHBondContact O-CB 3.45Å; L294-L298 VanDerWaalsContact O-CG 3.3Å; L294-L298 WeakPolarHBondContact O-CG 3.24Å; L294-L298 PolarHBondContact O-N 3.21Å; L294-M314 HydrophobicContact CD1-SD 4.43Å; L294-M314 HydrophobicContact CD2-CE 4.32Å; L294-M314 HydrophobicContact CD2-SD 4.09Å; L294-M314 HydrophobicContact CG-SD 4.49Å
295E74.7Confident64.9Low131 Ų13199.2 Ų99.261%0.61253%0.534SS*.Hα-helixtrans-62.7-43.8176.3-71.3-164144.400112.4V297 L298 E299E295-V297 VanDerWaalsContact C-N 3.29Å; E295-V297 PolarHBondContact O-N 3.35Å; E295-L298 PolarHBondContact O-N 2.9Å; E295-E299 WeakPolarHBondContact O-CB 3.23Å; E295-E299 PolarHBondContact O-N 2.89Å
296K80.4Confident66.9Low149 Ų14998.6 Ų98.665%0.64853%0.53SS*.Hα-helixtrans-61.3-35.5174.3-83.4179.4176.3173.60113.4E292 K300E292-K296 PolarHBondContact O-N 3.29Å; K296-K300 PolarHBondContact O-N 2.96Å
297V79.9Confident68.4Low30 Ų3098.3 Ų98.318%0.18252%0.519CS..Hα-helixtrans-71-43.2175.9171.50000110.6K293 L294 E295 E299 K300 L301 V332 L335K293-V297 WeakPolarHBondContact O-CG2 3.41Å; K293-V297 PolarHBondContact O-N 2.92Å; L294-V297 PolarHBondContact O-N 3.19Å; E295-V297 VanDerWaalsContact C-N 3.29Å; E295-V297 PolarHBondContact O-N 3.35Å; V297-E299 VanDerWaalsContact C-N 3.29Å; V297-E299 PolarHBondContact O-N 3.11Å; V297-K300 PolarHBondContact O-N 3.41Å; V297-L301 HydrophobicContact CG1-CD1 3.83Å; V297-L301 HydrophobicContact CG1-CG 4.48Å; V297-L301 WeakPolarHBondContact O-CB 3.3Å; V297-L301 WeakPolarHBondContact O-CG 3.41Å; V297-L301 PolarHBondContact O-N 3.4Å; V297-V332 HydrophobicContact CG2-CG2 4.45Å; V297-L335 HydrophobicContact CG1-CD1 4.47Å
298L80.5Confident70.1Confident19 Ų1991.8 Ų91.810%0.09949%0.486CS..Hα-helixtrans-63.4-35.7175.1-71.9170000112.2L294 E295 G302 L313 M314 L317L294-L298 HydrophobicContact CG-CD1 4.06Å; L294-L298 HydrophobicContact CG-CG 4.43Å; L294-L298 WeakPolarHBondContact O-CB 3.45Å; L294-L298 VanDerWaalsContact O-CG 3.3Å; L294-L298 WeakPolarHBondContact O-CG 3.24Å; L294-L298 PolarHBondContact O-N 3.21Å; E295-L298 PolarHBondContact O-N 2.9Å; L298-G302 PolarHBondContact O-N 3.01Å; L298-L313 HydrophobicContact CD2-CB 3.93Å; L298-M314 HydrophobicContact CD1-CG 4.14Å; L298-M314 HydrophobicContact CD1-SD 3.85Å; L298-M314 HydrophobicContact CD2-CG 3.94Å; L298-M314 HydrophobicContact CD2-SD 3.96Å; L298-M314 HydrophobicContact CG-SD 4.4Å; L298-L317 HydrophobicContact CD2-CD1 3.64Å
299E81.9Confident71.9Confident139 Ų13987.9 Ų87.965%0.6547%0.468SS*.Hα-helixtrans-69.4-45.3176.6-165.9175.2-160.600111.5E295 V297 L301 G302 A303E295-E299 WeakPolarHBondContact O-CB 3.23Å; E295-E299 PolarHBondContact O-N 2.89Å; V297-E299 VanDerWaalsContact C-N 3.29Å; V297-E299 PolarHBondContact O-N 3.11Å; E299-L301 PolarHBondContact O-N 2.96Å; E299-G302 PolarHBondContact O-N 3.19Å; E299-A303 PolarHBondContact O-N 3.47Å
300K82.4Confident73.6Confident121 Ų12188.5 Ų88.553%0.52646%0.464SS..Hα-helixtrans-63.5-38.1173.7-81.3-171.3171.5-164.30113K296 V297 R304 V332K296-K300 PolarHBondContact O-N 2.96Å; V297-K300 PolarHBondContact O-N 3.41Å; K300-R304 WeakPolarHBondContact O-CG 3.44Å; K300-R304 PolarHBondContact O-N 3.4Å; K300-V332 HydrophobicContact CB-CG1 4.37Å; K300-V332 HydrophobicContact CD-CG1 3.93Å
301L82.4Confident75.3Confident0 Ų091.6 Ų91.60%048%0.477CS..Hα-helixtrans-68.5-41.6174.4-76.7166.8000111.3V297 E299 A303 R304 F305 L313 L317 I336 V339V297-L301 HydrophobicContact CG1-CD1 3.83Å; V297-L301 HydrophobicContact CG1-CG 4.48Å; V297-L301 WeakPolarHBondContact O-CB 3.3Å; V297-L301 WeakPolarHBondContact O-CG 3.41Å; V297-L301 PolarHBondContact O-N 3.4Å; E299-L301 PolarHBondContact O-N 2.96Å; L301-A303 VanDerWaalsContact C-N 3.33Å; L301-A303 PolarHBondContact O-N 3.4Å; L301-R304 PolarHBondContact O-N 2.96Å; L301-F305 HydrophobicContact CD2-CD2 4.32Å; L301-F305 HydrophobicContact CD2-CE2 4.1Å; L301-F305 WeakPolarHBondContact O-CD2 3.42Å; L301-F305 PolarHBondContact O-N 3.41Å; L301-L313 HydrophobicContact CB-CD1 4.01Å; L301-L313 HydrophobicContact CB-CD2 4.14Å; L301-L317 HydrophobicContact CD1-CD1 3.85Å; L301-L317 HydrophobicContact CD1-CD2 4.26Å; L301-L317 HydrophobicContact CD1-CG 4.2Å; L301-I336 HydrophobicContact CD2-CB 4.32Å; L301-I336 HydrophobicContact CD2-CG1 3.65Å; L301-V339 HydrophobicContact CD2-CB 4.2Å; L301-V339 HydrophobicContact CD2-CG1 4.42Å; L301-V339 HydrophobicContact CD2-CG2 4.14Å
302G80.2Confident76.4Confident26 Ų2690.6 Ų90.627%0.26846%0.463SS..Hα-helixtrans-63.5-35.5175.800000113.3L298 E299 R304 F305L298-G302 PolarHBondContact O-N 3.01Å; E299-G302 PolarHBondContact O-N 3.19Å; G302-R304 VanDerWaalsContact C-N 3.31Å; G302-R304 PolarHBondContact O-N 3.34Å; G302-F305 CarbonylContact O-C 3.36Å
303A83Confident78Confident85 Ų8583.2 Ų83.270%0.70243%0.429SS*.Hα-helixtrans-67.1-29.9174.600000113.2E299 L301E299-A303 PolarHBondContact O-N 3.47Å; L301-A303 VanDerWaalsContact C-N 3.33Å; L301-A303 PolarHBondContact O-N 3.4Å
304R78.6Confident78.8Confident170 Ų17080.5 Ų80.564%0.64242%0.419SS*.Hα-helixtrans-87-28.3178.4-69-96-174-169.70.6112.8K300 L301 G302 P306 I336K300-R304 WeakPolarHBondContact O-CG 3.44Å; K300-R304 PolarHBondContact O-N 3.4Å; L301-R304 PolarHBondContact O-N 2.96Å; G302-R304 VanDerWaalsContact C-N 3.31Å; G302-R304 PolarHBondContact O-N 3.34Å; R304-P306 VanDerWaalsContact C-CD 3.5Å; R304-I336 HydrophobicContact CB-CG2 4.4Å; R304-I336 HydrophobicContact CG-CD1 4.03Å; R304-I336 HydrophobicContact CG-CG1 4.36Å; R304-I336 HydrophobicContact CG-CG2 4.31Å
305F80.7Confident79.1Confident27 Ų2780 Ų8012%0.11842%0.423CS..  trans-127.669.9-178.3-55.6-72.8000110.8L301 G302 Q307 C308 I336 V339 L343L301-F305 HydrophobicContact CD2-CD2 4.32Å; L301-F305 HydrophobicContact CD2-CE2 4.1Å; L301-F305 WeakPolarHBondContact O-CD2 3.42Å; L301-F305 PolarHBondContact O-N 3.41Å; G302-F305 CarbonylContact O-C 3.36Å; F305-Q307 VanDerWaalsContact C-OE1 3.27Å; F305-Q307 PolarHBondContact O-N 3.42Å; F305-Q307 VanDerWaalsContact O-N 3.08Å; F305-C308 HydrophobicContact CB-CB 4.34Å; F305-C308 PolarHBondContact O-N 3.07Å; F305-I336 HydrophobicContact CE2-CB 4.45Å; F305-I336 HydrophobicContact CE2-CG2 3.85Å; F305-I336 HydrophobicContact CZ-CG2 3.91Å; F305-I336 VanDerWaalsContact CZ-O 3.3Å; F305-I336 WeakPolarHBondContact CZ-O 3.35Å; F305-V339 HydrophobicContact CD2-CG1 4.11Å; F305-V339 HydrophobicContact CE2-CB 4.29Å; F305-V339 HydrophobicContact CE2-CG1 3.99Å; F305-L343 HydrophobicContact CB-CD1 4.27Å; F305-L343 HydrophobicContact CD1-CD1 3.68Å; F305-L343 HydrophobicContact CD2-CD1 4.49Å; F305-L343 HydrophobicContact CE1-CD1 4.12Å; F305-L343 HydrophobicContact CG-CD1 3.9Å
306P77Confident79.5Confident109 Ų10974.1 Ų74.171%0.70840%0.395SS*.THydrogen-bonded Turntrans-61.5-17.7-178.824.1-33.7000113.7R304 C308R304-P306 VanDerWaalsContact C-CD 3.5Å; P306-C308 PolarHBondContact O-N 3.45Å
307Q68.4Low79.7Confident130 Ų13067.4 Ų67.461%0.60737%0.366SS*.THydrogen-bonded Turntrans-74.8-5.8173.865.5-89.339.700114.4F305F305-Q307 VanDerWaalsContact C-OE1 3.27Å; F305-Q307 PolarHBondContact O-N 3.42Å; F305-Q307 VanDerWaalsContact O-N 3.08Å
308C74.7Confident79.7Confident11 Ų1172 Ų727%0.07439%0.386CS..SBendtrans-118.9122.3-175.9-62.10000112.3F305 P306 L313 L343F305-C308 HydrophobicContact CB-CB 4.34Å; F305-C308 PolarHBondContact O-N 3.07Å; P306-C308 PolarHBondContact O-N 3.45Å; C308-L313 HydrophobicContact CB-CD2 3.88Å; C308-L313 HydrophobicContact CB-CG 4.02Å; C308-L343 WeakPolarHBondContact SG-CD2 3.43Å
309G78.3Confident79.6Confident38 Ų3875.5 Ų75.539%0.39240%0.402SS..  trans-70.4156.6174.800000112.8P311 Q312 L313G309-P311 VanDerWaalsContact C-CD 3.41Å; G309-P311 VanDerWaalsContact C-N 3.34Å; G309-Q312 WeakPolarHBondContact O-CA 3.28Å; G309-Q312 WeakPolarHBondContact O-CB 3.37Å; G309-Q312 PolarHBondContact O-N 3.07Å; G309-L313 PolarHBondContact O-N 3.32Å
310K76.9Confident79.6Confident150 Ų15068.9 Ų68.965%0.65237%0.371SS*.Hα-helixtrans-44.2-45.9173.8-69.8-174.9178.4-178.20114.7Q312 L313 M314K310-Q312 VanDerWaalsContact C-N 3.32Å; K310-Q312 PolarHBondContact O-N 3.26Å; K310-L313 PolarHBondContact O-N 2.97Å; K310-M314 WeakPolarHBondContact O-CG 3.33Å; K310-M314 PolarHBondContact O-N 3.27Å; K310-M314 VanDerWaalsContact O-N 3.07Å
311P77Confident79.5Confident104 Ų10468.5 Ų68.568%0.67537%0.369SS*.Hα-helixtrans-68.3-29.7177.826.4-35.1000113.4G309 S315G309-P311 VanDerWaalsContact C-CD 3.41Å; G309-P311 VanDerWaalsContact C-N 3.34Å; P311-S315 PolarHBondContact O-N 3.11Å
312Q77.1Confident79.1Confident91 Ų9173.2 Ų73.243%0.42540%0.402SS..Hα-helixtrans-73-41.8177.5-167.5174.914.400111.2G309 K310 M314 S315 L316G309-Q312 WeakPolarHBondContact O-CA 3.28Å; G309-Q312 WeakPolarHBondContact O-CB 3.37Å; G309-Q312 PolarHBondContact O-N 3.07Å; K310-Q312 VanDerWaalsContact C-N 3.32Å; K310-Q312 PolarHBondContact O-N 3.26Å; Q312-M314 VanDerWaalsContact C-N 3.31Å; Q312-M314 PolarHBondContact O-N 3.2Å; Q312-S315 WeakPolarHBondContact O-CB 3.38Å; Q312-S315 PolarHBondContact O-N 3.36Å; Q312-L316 HydrophobicContact CG-CD1 4.32Å; Q312-L316 WeakPolarHBondContact O-CD1 3.38Å; Q312-L316 WeakPolarHBondContact O-CG 3.44Å; Q312-L316 PolarHBondContact O-N 3.4Å
313L84.6Confident78.7Confident1 Ų175.8 Ų75.81%0.00542%0.416CS..Hα-helixtrans-61-40.4172.3-69.3173.9000111.8L298 L301 C308 G309 K310 L316 L317 V339L298-L313 HydrophobicContact CD2-CB 3.93Å; L301-L313 HydrophobicContact CB-CD1 4.01Å; L301-L313 HydrophobicContact CB-CD2 4.14Å; C308-L313 HydrophobicContact CB-CD2 3.88Å; C308-L313 HydrophobicContact CB-CG 4.02Å; G309-L313 PolarHBondContact O-N 3.32Å; K310-L313 PolarHBondContact O-N 2.97Å; L313-L316 PolarHBondContact O-N 2.67Å; L313-L317 WeakPolarHBondContact O-CB 3.21Å; L313-L317 WeakPolarHBondContact O-CD1 3.4Å; L313-L317 WeakPolarHBondContact O-CG 3.45Å; L313-L317 PolarHBondContact O-N 3.17Å; L313-V339 HydrophobicContact CD2-CG1 4.08Å
314M81.9Confident78Confident77 Ų7777.4 Ų77.438%0.37940%0.404SS..Hα-helixtrans-61-43.6173.6-80.1-67.6-66.500112.5L294 L298 K310 Q312 L316 L317 Q318L294-M314 HydrophobicContact CD1-SD 4.43Å; L294-M314 HydrophobicContact CD2-CE 4.32Å; L294-M314 HydrophobicContact CD2-SD 4.09Å; L294-M314 HydrophobicContact CG-SD 4.49Å; L298-M314 HydrophobicContact CD1-CG 4.14Å; L298-M314 HydrophobicContact CD1-SD 3.85Å; L298-M314 HydrophobicContact CD2-CG 3.94Å; L298-M314 HydrophobicContact CD2-SD 3.96Å; L298-M314 HydrophobicContact CG-SD 4.4Å; K310-M314 WeakPolarHBondContact O-CG 3.33Å; K310-M314 PolarHBondContact O-N 3.27Å; K310-M314 VanDerWaalsContact O-N 3.07Å; Q312-M314 VanDerWaalsContact C-N 3.31Å; Q312-M314 PolarHBondContact O-N 3.2Å; M314-L316 PolarHBondContact O-N 2.75Å; M314-L317 PolarHBondContact O-N 2.91Å; M314-Q318 WeakPolarHBondContact O-CB 3.27Å; M314-Q318 PolarHBondContact O-N 3.04Å
315S80.8Confident77.9Confident73 Ų7372 Ų7251%0.5140%0.401SS..Hα-helixtrans-61.8-42.7175.7-173.10000111.8P311 Q312 Q318 Q319P311-S315 PolarHBondContact O-N 3.11Å; Q312-S315 WeakPolarHBondContact O-CB 3.38Å; Q312-S315 PolarHBondContact O-N 3.36Å; S315-Q318 WeakPolarHBondContact O-CB 3.36Å; S315-Q318 PolarHBondContact O-N 2.85Å; S315-Q319 WeakPolarHBondContact O-CB 3.27Å; S315-Q319 PolarHBondContact O-N 3.47Å
316L83.3Confident77.5Confident7 Ų774.4 Ų74.44%0.03742%0.418CS..Hα-helixtrans-67.3-42.6178.4-69.3159000112.1Q312 L313 M314 Q318 Q319 V320 V339 K342 L343Q312-L316 HydrophobicContact CG-CD1 4.32Å; Q312-L316 WeakPolarHBondContact O-CD1 3.38Å; Q312-L316 WeakPolarHBondContact O-CG 3.44Å; Q312-L316 PolarHBondContact O-N 3.4Å; L313-L316 PolarHBondContact O-N 2.67Å; M314-L316 PolarHBondContact O-N 2.75Å; L316-Q318 VanDerWaalsContact C-N 3.28Å; L316-Q318 PolarHBondContact O-N 3.11Å; L316-Q319 WeakPolarHBondContact O-CB 3.46Å; L316-Q319 PolarHBondContact O-N 2.89Å; L316-V320 WeakPolarHBondContact O-CB 3.36Å; L316-V320 VanDerWaalsContact O-CG2 3.29Å; L316-V320 WeakPolarHBondContact O-CG2 3.45Å; L316-V320 PolarHBondContact O-N 2.91Å; L316-V339 HydrophobicContact CB-CG1 4.39Å; L316-V339 HydrophobicContact CB-CG2 4.47Å; L316-V339 HydrophobicContact CD1-CG1 4.14Å; L316-K342 HydrophobicContact CD2-CB 3.84Å; L316-L343 HydrophobicContact CD1-CD1 4.34Å; L316-L343 HydrophobicContact CD1-CD2 3.39Å; L316-L343 HydrophobicContact CD1-CG 3.75Å; L316-L343 HydrophobicContact CD2-CD2 4.33Å; L316-L343 HydrophobicContact CD2-CG 4.48Å; L316-L343 HydrophobicContact CG-CD2 4.5Å
317L83.1Confident77.1Confident8 Ų871.7 Ų71.74%0.04240%0.397CS..Hα-helixtrans-58.9-40.4171.9-83.7158.4000111.6L298 L301 L313 M314 V320 K321 L327 L335L298-L317 HydrophobicContact CD2-CD1 3.64Å; L301-L317 HydrophobicContact CD1-CD1 3.85Å; L301-L317 HydrophobicContact CD1-CD2 4.26Å; L301-L317 HydrophobicContact CD1-CG 4.2Å; L313-L317 WeakPolarHBondContact O-CB 3.21Å; L313-L317 WeakPolarHBondContact O-CD1 3.4Å; L313-L317 WeakPolarHBondContact O-CG 3.45Å; L313-L317 PolarHBondContact O-N 3.17Å; M314-L317 PolarHBondContact O-N 2.91Å; L317-V320 PolarHBondContact O-N 3.08Å; L317-K321 VanDerWaalsContact O-CB 3.3Å; L317-K321 WeakPolarHBondContact O-CB 3.4Å; L317-K321 PolarHBondContact O-N 2.99Å; L317-L327 HydrophobicContact CD2-CD1 4.34Å; L317-L335 HydrophobicContact CD2-CD2 3.47Å; L317-L335 VanDerWaalsContact CD2-CD2 3.47Å
318Q80.9Confident77.3Confident127 Ų12769.1 Ų69.159%0.59340%0.398SS*.Hα-helixtrans-69.9-34.2176.8-170.4165.3-11.600112.2M314 S315 L316 K321 S322M314-Q318 WeakPolarHBondContact O-CB 3.27Å; M314-Q318 PolarHBondContact O-N 3.04Å; S315-Q318 WeakPolarHBondContact O-CB 3.36Å; S315-Q318 PolarHBondContact O-N 2.85Å; L316-Q318 VanDerWaalsContact C-N 3.28Å; L316-Q318 PolarHBondContact O-N 3.11Å; Q318-K321 PolarHBondContact O-N 3.08Å; Q318-S322 WeakPolarHBondContact O-CB 3.48Å; Q318-S322 PolarHBondContact O-N 3.33Å; Q318-S322 PolarHBondContact O-OG 3.45Å
319Q77.8Confident77.1Confident91 Ų9172.3 Ų72.343%0.42543%0.433SS..Hα-helixtrans-68.9-42.2174.1-163.6176.9-1.600110.9S315 L316 S322 S323S315-Q319 WeakPolarHBondContact O-CB 3.27Å; S315-Q319 PolarHBondContact O-N 3.47Å; L316-Q319 WeakPolarHBondContact O-CB 3.46Å; L316-Q319 PolarHBondContact O-N 2.89Å; Q319-S322 PolarHBondContact O-N 2.92Å; Q319-S323 PolarHBondContact O-N 3.05Å; Q319-S323 PolarHBondContact O-OG 3.38Å
320V82.2Confident76.8Confident1 Ų171.5 Ų71.51%0.00642%0.419CS..Hα-helixtrans-59.9-47.4172.3168.60000110.5L316 L317 S322 S323 R324 L327 M330 Q338 K342L316-V320 WeakPolarHBondContact O-CB 3.36Å; L316-V320 VanDerWaalsContact O-CG2 3.29Å; L316-V320 WeakPolarHBondContact O-CG2 3.45Å; L316-V320 PolarHBondContact O-N 2.91Å; L317-V320 PolarHBondContact O-N 3.08Å; V320-S322 VanDerWaalsContact C-N 3.3Å; V320-S322 PolarHBondContact O-N 2.88Å; V320-S323 WeakPolarHBondContact CA-OG 3.23Å; V320-S323 PolarHBondContact O-N 3.37Å; V320-S323 PolarHBondContact O-OG 3.28Å; V320-R324 PolarHBondContact O-N 3.42Å; V320-L327 HydrophobicContact CG1-CD2 3.9Å; V320-M330 HydrophobicContact CG1-SD 4.27Å; V320-Q338 HydrophobicContact CG1-CB 4.42Å; V320-Q338 HydrophobicContact CG2-CB 4.11Å; V320-K342 HydrophobicContact CG2-CG 4.09Å
321K80.5Confident77Confident113 Ų11366.5 Ų66.549%0.49140%0.403SS..Hα-helixtrans-57.9-41.1173.8-175179.2176.7179.70112L317 Q318 G325 L327L317-K321 VanDerWaalsContact O-CB 3.3Å; L317-K321 WeakPolarHBondContact O-CB 3.4Å; L317-K321 PolarHBondContact O-N 2.99Å; Q318-K321 PolarHBondContact O-N 3.08Å; K321-G325 CarbonylContact O-C 3.2Å; K321-G325 WeakPolarHBondContact O-CA 3.42Å; K321-G325 PolarHBondContact O-N 3.05Å; K321-L327 HydrophobicContact CB-CD1 4.14Å; K321-L327 HydrophobicContact CB-CD2 3.93Å; K321-L327 HydrophobicContact CB-CG 3.85Å; K321-L327 HydrophobicContact CD-CD1 4.38Å; K321-L327 HydrophobicContact CD-CG 4.4Å; K321-L327 HydrophobicContact CG-CG 4.09Å
322S73.5Confident77.1Confident98 Ų9863.2 Ų63.269%0.68538%0.381SS*.Hα-helixtrans-69.9-33.4179.1-570000112.4Q318 Q319 V320Q318-S322 WeakPolarHBondContact O-CB 3.48Å; Q318-S322 PolarHBondContact O-N 3.33Å; Q318-S322 PolarHBondContact O-OG 3.45Å; Q319-S322 PolarHBondContact O-N 2.92Å; V320-S322 VanDerWaalsContact C-N 3.3Å; V320-S322 PolarHBondContact O-N 2.88Å
323S73.4Confident77.3Confident80 Ų8063.9 Ų63.956%0.55938%0.384SS*.Hα-helixtrans-76.5-31.5177430000114.3Q319 V320Q319-S323 PolarHBondContact O-N 3.05Å; Q319-S323 PolarHBondContact O-OG 3.38Å; V320-S323 WeakPolarHBondContact CA-OG 3.23Å; V320-S323 PolarHBondContact O-N 3.37Å; V320-S323 PolarHBondContact O-OG 3.28Å
324R67.1Low77.2Confident120 Ų12067.1 Ų67.145%0.45340%0.401SS..Hα-helixtrans-107.3-13.5-175.2-172.7176.6170162.5-1.3113.7V320 T326 M330V320-R324 PolarHBondContact O-N 3.42Å; R324-T326 PolarHBondContact O-N 2.8Å; R324-M330 PolarHBondContact NH1-SD 3.48Å
325G75.9Confident77.3Confident56 Ų5664 Ų6458%0.57739%0.386SS*.SBendtrans88.3-58.3-176.700000113.7K321K321-G325 CarbonylContact O-C 3.2Å; K321-G325 WeakPolarHBondContact O-CA 3.42Å; K321-G325 PolarHBondContact O-N 3.05Å
326T74.1Confident77.5Confident77 Ų7761.7 Ų61.747%0.47237%0.368SS..  trans-125.8145.7179.9-1690000112.5R324 A328R324-T326 PolarHBondContact O-N 2.8Å; T326-A328 WeakPolarHBondContact OG1-CB 3.35Å; T326-A328 PolarHBondContact OG1-N 3.05Å
327L66.9Low77.5Confident53 Ų5368.2 Ų68.228%0.27740%0.398SS..  trans-90.2-9.4171-61.1178.4000112L317 V320 K321 G329 M330 L335L317-L327 HydrophobicContact CD2-CD1 4.34Å; V320-L327 HydrophobicContact CG1-CD2 3.9Å; K321-L327 HydrophobicContact CB-CD1 4.14Å; K321-L327 HydrophobicContact CB-CD2 3.93Å; K321-L327 HydrophobicContact CB-CG 3.85Å; K321-L327 HydrophobicContact CD-CD1 4.38Å; K321-L327 HydrophobicContact CD-CG 4.4Å; K321-L327 HydrophobicContact CG-CG 4.09Å; L327-G329 PolarHBondContact O-N 3.3Å; L327-M330 HydrophobicContact CD2-SD 4.29Å; L327-M330 PolarHBondContact O-N 3.05Å; L327-L335 HydrophobicContact CD2-CD2 4.29Å
328A72.4Confident77.4Confident75 Ų7570.8 Ų70.862%0.6241%0.41SS*.THydrogen-bonded Turntrans-67.7128.9177.600000110.1T326T326-A328 WeakPolarHBondContact OG1-CB 3.35Å; T326-A328 PolarHBondContact OG1-N 3.05Å
329G70.6Confident77.5Confident78 Ų7864.7 Ų64.780%0.80438%0.382SS*.THydrogen-bonded Turntrans88.68.4-177.900000115.2L327L327-G329 PolarHBondContact O-N 3.3Å
330M72.6Confident77.7Confident21 Ų2161.5 Ų61.510%0.10337%0.373CS..  trans-89.6134.4166.3-67.2-16463.200110.9V320 R324 L327 D334 L335 Q338V320-M330 HydrophobicContact CG1-SD 4.27Å; R324-M330 PolarHBondContact NH1-SD 3.48Å; L327-M330 HydrophobicContact CD2-SD 4.29Å; L327-M330 PolarHBondContact O-N 3.05Å; M330-D334 HydrophobicContact CE-CB 3.84Å; M330-L335 HydrophobicContact CB-CD1 4.22Å; M330-L335 HydrophobicContact CB-CG 4.07Å; M330-L335 HydrophobicContact CE-CD2 4.23Å; M330-L335 HydrophobicContact CE-CG 4.06Å; M330-L335 HydrophobicContact SD-CD2 4.32Å; M330-L335 HydrophobicContact SD-CG 4.43Å; M330-Q338 HydrophobicContact CE-CB 4.49Å; M330-Q338 HydrophobicContact CE-CG 4.1Å
331S81.9Confident77.5Confident46 Ų4667.5 Ų67.532%0.32240%0.399SS..  trans-71.3162.5167.470.30000110.4E333 D334 L335S331-E333 PolarHBondContact O-N 3.38Å; S331-D334 WeakPolarHBondContact CB-OD2 3.48Å; S331-D334 PolarHBondContact N-OD2 3.46Å; S331-D334 PolarHBondContact O-N 2.9Å; S331-D334 PolarHBondContact OG-N 3.23Å; S331-D334 PolarHBondContact OG-OD2 2.96Å; S331-L335 PolarHBondContact O-N 2.9Å; S331-L335 VanDerWaalsContact O-N 3.11Å
332V79.3Confident77.4Confident35 Ų3564.1 Ų64.121%0.21238%0.384CS..Hα-helixtrans-66.2-32176.8177.90000110V297 K300 L335 I336V297-V332 HydrophobicContact CG2-CG2 4.45Å; K300-V332 HydrophobicContact CB-CG1 4.37Å; K300-V332 HydrophobicContact CD-CG1 3.93Å; V332-L335 WeakPolarHBondContact O-CB 3.37Å; V332-L335 PolarHBondContact O-N 2.87Å; V332-I336 HydrophobicContact CG1-CD1 4.03Å; V332-I336 WeakPolarHBondContact O-CD1 3.43Å; V332-I336 WeakPolarHBondContact O-CG1 3.21Å; V332-I336 PolarHBondContact O-N 3.21Å
333E80.9Confident77.4Confident105 Ų10560.2 Ų60.249%0.49136%0.356SS..Hα-helixtrans-66.6-46.2176.8-66.564-142.800111.3S331 L335 I336 E337S331-E333 PolarHBondContact O-N 3.38Å; E333-L335 VanDerWaalsContact C-N 3.28Å; E333-L335 PolarHBondContact O-N 3.49Å; E333-I336 WeakPolarHBondContact O-CB 3.33Å; E333-I336 PolarHBondContact O-N 3.39Å; E333-E337 PolarHBondContact O-N 2.89Å
334D83.3Confident77.1Confident68 Ų6859 Ų5936%0.36435%0.347SS..Hα-helixtrans-63.2-35.7174.4-61.4-44000112.1M330 S331 E337 Q338M330-D334 HydrophobicContact CE-CB 3.84Å; S331-D334 WeakPolarHBondContact CB-OD2 3.48Å; S331-D334 PolarHBondContact N-OD2 3.46Å; S331-D334 PolarHBondContact O-N 2.9Å; S331-D334 PolarHBondContact OG-N 3.23Å; S331-D334 PolarHBondContact OG-OD2 2.96Å; D334-E337 PolarHBondContact O-N 2.98Å; D334-Q338 WeakPolarHBondContact O-CB 3.42Å; D334-Q338 WeakPolarHBondContact O-CG 3.35Å; D334-Q338 PolarHBondContact O-N 3.18Å
335L83.8Confident76.7Confident13 Ų1356.7 Ų56.77%0.06834%0.341CS..Hα-helixtrans-66.1-41.6175.5-88.5162.4000111.4V297 L317 L327 M330 S331 V332 E333 Q338 V339V297-L335 HydrophobicContact CG1-CD1 4.47Å; L317-L335 HydrophobicContact CD2-CD2 3.47Å; L317-L335 VanDerWaalsContact CD2-CD2 3.47Å; L327-L335 HydrophobicContact CD2-CD2 4.29Å; M330-L335 HydrophobicContact CB-CD1 4.22Å; M330-L335 HydrophobicContact CB-CG 4.07Å; M330-L335 HydrophobicContact CE-CD2 4.23Å; M330-L335 HydrophobicContact CE-CG 4.06Å; M330-L335 HydrophobicContact SD-CD2 4.32Å; M330-L335 HydrophobicContact SD-CG 4.43Å; S331-L335 PolarHBondContact O-N 2.9Å; S331-L335 VanDerWaalsContact O-N 3.11Å; V332-L335 WeakPolarHBondContact O-CB 3.37Å; V332-L335 PolarHBondContact O-N 2.87Å; E333-L335 VanDerWaalsContact C-N 3.28Å; E333-L335 PolarHBondContact O-N 3.49Å; L335-Q338 PolarHBondContact O-N 3.38Å; L335-V339 VanDerWaalsContact O-CB 3.31Å; L335-V339 WeakPolarHBondContact O-CB 3.44Å; L335-V339 WeakPolarHBondContact O-CG2 3.32Å; L335-V339 PolarHBondContact O-N 2.84Å
336I83.4Confident75.6Confident23 Ų2357 Ų5712%0.11834%0.335CS..Hα-helixtrans-61.5-46.4175.1-71.5159.7000109.9L301 R304 F305 V332 E333 V339 G340L301-I336 HydrophobicContact CD2-CB 4.32Å; L301-I336 HydrophobicContact CD2-CG1 3.65Å; R304-I336 HydrophobicContact CB-CG2 4.4Å; R304-I336 HydrophobicContact CG-CD1 4.03Å; R304-I336 HydrophobicContact CG-CG1 4.36Å; R304-I336 HydrophobicContact CG-CG2 4.31Å; F305-I336 HydrophobicContact CE2-CB 4.45Å; F305-I336 HydrophobicContact CE2-CG2 3.85Å; F305-I336 HydrophobicContact CZ-CG2 3.91Å; F305-I336 VanDerWaalsContact CZ-O 3.3Å; F305-I336 WeakPolarHBondContact CZ-O 3.35Å; V332-I336 HydrophobicContact CG1-CD1 4.03Å; V332-I336 WeakPolarHBondContact O-CD1 3.43Å; V332-I336 WeakPolarHBondContact O-CG1 3.21Å; V332-I336 PolarHBondContact O-N 3.21Å; E333-I336 WeakPolarHBondContact O-CB 3.33Å; E333-I336 PolarHBondContact O-N 3.39Å; I336-V339 PolarHBondContact O-N 3.01Å; I336-G340 PolarHBondContact O-N 2.84Å
337E84.8Confident74.4Confident144 Ų14461.1 Ų61.167%0.67335%0.348SS*.Hα-helixtrans-64.2-44.4178.7-72.5-172.7175.700112.6E333 D334 G340 F341E333-E337 PolarHBondContact O-N 2.89Å; D334-E337 PolarHBondContact O-N 2.98Å; E337-G340 PolarHBondContact O-N 3.29Å; E337-F341 WeakPolarHBondContact O-CB 3.47Å; E337-F341 PolarHBondContact O-N 3.01Å
338Q81.1Confident73.4Confident62 Ų6268.8 Ų68.829%0.2937%0.374SS..Hα-helixtrans-68.2-36.3179.1-73.9-169.76.800112.8V320 M330 D334 L335 F341 K342V320-Q338 HydrophobicContact CG1-CB 4.42Å; V320-Q338 HydrophobicContact CG2-CB 4.11Å; M330-Q338 HydrophobicContact CE-CB 4.49Å; M330-Q338 HydrophobicContact CE-CG 4.1Å; D334-Q338 WeakPolarHBondContact O-CB 3.42Å; D334-Q338 WeakPolarHBondContact O-CG 3.35Å; D334-Q338 PolarHBondContact O-N 3.18Å; L335-Q338 PolarHBondContact O-N 3.38Å; Q338-F341 PolarHBondContact O-N 3.2Å; Q338-K342 WeakPolarHBondContact O-CB 3.47Å; Q338-K342 WeakPolarHBondContact O-CG 3.4Å; Q338-K342 PolarHBondContact O-N 3.28Å
339V83Confident71.8Confident0 Ų069.1 Ų69.10%037%0.371CS..Hα-helixtrans-66.1-42.4172.5170.30000110.3L301 F305 L313 L316 L335 I336 F341 K342 L343L301-V339 HydrophobicContact CD2-CB 4.2Å; L301-V339 HydrophobicContact CD2-CG1 4.42Å; L301-V339 HydrophobicContact CD2-CG2 4.14Å; F305-V339 HydrophobicContact CD2-CG1 4.11Å; F305-V339 HydrophobicContact CE2-CB 4.29Å; F305-V339 HydrophobicContact CE2-CG1 3.99Å; L313-V339 HydrophobicContact CD2-CG1 4.08Å; L316-V339 HydrophobicContact CB-CG1 4.39Å; L316-V339 HydrophobicContact CB-CG2 4.47Å; L316-V339 HydrophobicContact CD1-CG1 4.14Å; L335-V339 VanDerWaalsContact O-CB 3.31Å; L335-V339 WeakPolarHBondContact O-CB 3.44Å; L335-V339 WeakPolarHBondContact O-CG2 3.32Å; L335-V339 PolarHBondContact O-N 2.84Å; I336-V339 PolarHBondContact O-N 3.01Å; V339-F341 PolarHBondContact O-N 2.85Å; V339-K342 PolarHBondContact O-N 3.45Å; V339-L343 HydrophobicContact CG1-CD1 3.91Å; V339-L343 HydrophobicContact CG1-CG 4.34Å; V339-L343 WeakPolarHBondContact O-CB 3.41Å; V339-L343 VanDerWaalsContact O-CG 3.28Å; V339-L343 WeakPolarHBondContact O-CG 2.97Å; V339-L343 PolarHBondContact O-N 3.22Å
340G80.9Confident70Confident23 Ų2369.6 Ų69.624%0.23737%0.368CS..Hα-helixtrans-60.9-40.4174.100000113.3I336 E337 L343 S344I336-G340 PolarHBondContact O-N 2.84Å; E337-G340 PolarHBondContact O-N 3.29Å; G340-L343 PolarHBondContact O-N 3.31Å; G340-S344 PolarHBondContact O-N 3.44Å; G340-S344 PolarHBondContact O-OG 3.14Å
341F78.6Confident68.7Low128 Ų12875.3 Ų75.356%0.56141%0.407SS*.Hα-helixtrans-69-32.4175.1-176.7-112.8000113.1E337 Q338 V339 S344 Q345E337-F341 WeakPolarHBondContact O-CB 3.47Å; E337-F341 PolarHBondContact O-N 3.01Å; Q338-F341 PolarHBondContact O-N 3.2Å; V339-F341 PolarHBondContact O-N 2.85Å; F341-S344 PolarHBondContact O-OG 3.28Å; F341-Q345 WeakPolarHBondContact O-CG 3.3Å; F341-Q345 PolarHBondContact O-N 2.97Å; F341-Q345 PolarHBondContact O-NE2 2.95Å
342K77.6Confident67.3Low41 Ų4175.3 Ų75.318%0.17841%0.413CS..Hα-helixtrans-78.1-32.8174.8-73.9-68.5176.9-164.10112.4L316 V320 Q338 V339 Q345 S346L316-K342 HydrophobicContact CD2-CB 3.84Å; V320-K342 HydrophobicContact CG2-CG 4.09Å; Q338-K342 WeakPolarHBondContact O-CB 3.47Å; Q338-K342 WeakPolarHBondContact O-CG 3.4Å; Q338-K342 PolarHBondContact O-N 3.28Å; V339-K342 PolarHBondContact O-N 3.45Å; K342-Q345 PolarHBondContact O-N 3.02Å; K342-S346 VanDerWaalsContact O-CB 3.27Å; K342-S346 WeakPolarHBondContact O-CB 3.46Å; K342-S346 PolarHBondContact O-N 3.35Å
343L74.1Confident65.8Low17 Ų1779.4 Ų79.49%0.08944%0.441CS..Hα-helixtrans-63.7-46.7172.4-77.3170000111.4F305 C308 L316 V339 G340 Q345 S346 E347F305-L343 HydrophobicContact CB-CD1 4.27Å; F305-L343 HydrophobicContact CD1-CD1 3.68Å; F305-L343 HydrophobicContact CD2-CD1 4.49Å; F305-L343 HydrophobicContact CE1-CD1 4.12Å; F305-L343 HydrophobicContact CG-CD1 3.9Å; C308-L343 WeakPolarHBondContact SG-CD2 3.43Å; L316-L343 HydrophobicContact CD1-CD1 4.34Å; L316-L343 HydrophobicContact CD1-CD2 3.39Å; L316-L343 HydrophobicContact CD1-CG 3.75Å; L316-L343 HydrophobicContact CD2-CD2 4.33Å; L316-L343 HydrophobicContact CD2-CG 4.48Å; L316-L343 HydrophobicContact CG-CD2 4.5Å; V339-L343 HydrophobicContact CG1-CD1 3.91Å; V339-L343 HydrophobicContact CG1-CG 4.34Å; V339-L343 WeakPolarHBondContact O-CB 3.41Å; V339-L343 VanDerWaalsContact O-CG 3.28Å; V339-L343 WeakPolarHBondContact O-CG 2.97Å; V339-L343 PolarHBondContact O-N 3.22Å; G340-L343 PolarHBondContact O-N 3.31Å; L343-Q345 VanDerWaalsContact C-N 3.27Å; L343-Q345 PolarHBondContact O-N 2.97Å; L343-S346 PolarHBondContact O-N 3.45Å; L343-S346 VanDerWaalsContact O-N 3.11Å; L343-E347 PolarHBondContact O-N 3.5Å
344S66.6Low64.9Low53 Ų5380.2 Ų80.237%0.37145%0.447SS..Hα-helixtrans-65.8-27.3176.760.10000113.6G340 F341 R348G340-S344 PolarHBondContact O-N 3.44Å; G340-S344 PolarHBondContact O-OG 3.14Å; F341-S344 PolarHBondContact O-OG 3.28Å; S344-R348 WeakPolarHBondContact O-CG 3.48Å
345Q59.8Low64.5Low73 Ų7382.3 Ų82.334%0.34145%0.453SS..Hα-helixtrans-77.9-35.6170-80.3174.29100113.4F341 K342 L343 R348 S349F341-Q345 WeakPolarHBondContact O-CG 3.3Å; F341-Q345 PolarHBondContact O-N 2.97Å; F341-Q345 PolarHBondContact O-NE2 2.95Å; K342-Q345 PolarHBondContact O-N 3.02Å; L343-Q345 VanDerWaalsContact C-N 3.27Å; L343-Q345 PolarHBondContact O-N 2.97Å; Q345-R348 PolarHBondContact O-N 3.27Å; Q345-S349 WeakPolarHBondContact O-CB 3.33Å; Q345-S349 PolarHBondContact O-N 2.99Å; Q345-S349 PolarHBondContact O-OG 3.19Å
346S52.9Low64.4Low62 Ų6285.8 Ų85.843%0.43447%0.472SS..Hα-helixtrans-72.3-35.1179.8-170.50000111.8K342 L343 R348 S349K342-S346 VanDerWaalsContact O-CB 3.27Å; K342-S346 WeakPolarHBondContact O-CB 3.46Å; K342-S346 PolarHBondContact O-N 3.35Å; L343-S346 PolarHBondContact O-N 3.45Å; L343-S346 VanDerWaalsContact O-N 3.11Å; S346-R348 PolarHBondContact O-N 3.11Å; S346-S349 PolarHBondContact O-N 3.33Å; S346-S349 VanDerWaalsContact O-N 3.17Å
347E47.2Very low64.6Low163 Ų16384.8 Ų84.876%0.76247%0.466SS*.THydrogen-bonded Turntrans-67.3-21.4172.7-73.2-174.7131.300112.5L343L343-E347 PolarHBondContact O-N 3.5Å
348R46.5Very low64.6Low214 Ų21481.8 Ų81.881%0.80845%0.454SS*.THydrogen-bonded Turntrans-91.6-1.3173.2-68.6-177.9-172.8-166.81.4114.3S344 Q345 S346S344-R348 WeakPolarHBondContact O-CG 3.48Å; Q345-R348 PolarHBondContact O-N 3.27Å; S346-R348 PolarHBondContact O-N 3.11Å
349S38.2Very low64.7Low82 Ų8283.5 Ų83.557%0.57346%0.464SS*.  trans-121.175.3-173.4-56.80000111.4Q345 S346Q345-S349 WeakPolarHBondContact O-CB 3.33Å; Q345-S349 PolarHBondContact O-N 2.99Å; Q345-S349 PolarHBondContact O-OG 3.19Å; S346-S349 PolarHBondContact O-N 3.33Å; S346-S349 VanDerWaalsContact O-N 3.17Å
350A33.5Very low64.9Low88 Ų8885.6 Ų85.673%0.72748%0.478SS*.  trans-75.8138.9148.400000107.9G352A350-G352 VanDerWaalsContact C-N 3.26Å; A350-G352 PolarHBondContact O-N 3.48Å
351P45.9Very low65Low142 Ų14292 Ų9292%0.92250%0.502SS*.  trans-75.380-176.830.8-32.3000110.1
352G50.9Low65.1Low45 Ų4590.7 Ų90.746%0.46450%0.501SS..  trans-102.9151.4163.100000110.4A350 I354A350-G352 VanDerWaalsContact C-N 3.26Å; A350-G352 PolarHBondContact O-N 3.48Å; G352-I354 PolarHBondContact O-N 3.18Å; G352-I354 VanDerWaalsContact O-N 3.07Å
353P49.7Very low65.1Low122 Ų12294.4 Ų94.479%0.79252%0.518SS*.  trans-59.9115.7178.522.8-30.6000110.2K355P353-K355 PolarHBondContact O-N 3.34Å
354I62Low65.2Low122 Ų12294.4 Ų94.463%0.62652%0.519SS*.PPolyproline II helixtrans-61.3116.3177.5-63.5172.4000108.6G352 L356 H363G352-I354 PolarHBondContact O-N 3.18Å; G352-I354 VanDerWaalsContact O-N 3.07Å; I354-L356 HydrophobicContact CG2-CD2 4.44Å; I354-H363 WeakPolarHBondContact CG2-CD2 3.44Å
355K73.8Confident65.8Low112 Ų11296.2 Ų96.249%0.48753%0.525SS..PPolyproline II helixtrans-94125.7175.7-63.3-173.5-176.5178.20109.9P353 V364 T377P353-K355 PolarHBondContact O-N 3.34Å; K355-V364 PolarHBondContact O-N 3.47Å; K355-T377 HydrophobicContact CB-CG2 3.87Å; K355-T377 WeakPolarHBondContact CD-OG1 3.41Å
356L82.8Confident66.4Low86 Ų8698.4 Ų98.445%0.4555%0.545SS..BIsolated β-bridgetrans-88.4149.5176.2-60.9177.4000111.2I354I354-L356 HydrophobicContact CG2-CD2 4.44Å
357C85.8Confident67.4Low1 Ų1103.8 Ų103.81%0.00756%0.563CS.*PPolyproline II helixtrans-69.2125.3172.7-176.10000109.7M359 C360 Q361 N362 V364 T377 H379C357-M359 PolarHBondContact O-N 3.31Å; C357-C360 VanDerWaalsContact CB-SG 3.5Å; C357-Q361 WeakPolarHBondContact O-CA 3.29Å; C357-Q361 PolarHBondContact O-N 2.88Å; C357-N362 WeakPolarHBondContact CB-O 3.31Å; C357-N362 PolarHBondContact N-O 3.02Å; C357-V364 HydrophobicContact CB-CG2 3.44Å; C357-V364 VanDerWaalsContact CB-CG2 3.44Å; C357-T377 WeakPolarHBondContact CA-O 3.32Å; C357-H379 WeakPolarHBondContact CB-ND1 3.26Å; C357-H379 PolarHBondContact SG-ND1 2.64Å
358L84.6Confident69Low81 Ų81100 Ų10042%0.42455%0.549SS..THydrogen-bonded Turntrans-68.8-14.9178.6-66.3179.7000114.3H376 T377 I378 F397L358-H376 HydrophobicContact CD1-CB 3.87Å; L358-H376 VanDerWaalsContact CD1-CD2 3.45Å; L358-H376 WeakPolarHBondContact CD1-CD2 3.4Å; L358-T377 PolarHBondContact N-O 3.41Å; L358-T377 VanDerWaalsContact N-O 3.13Å; L358-I378 HydrophobicContact CB-CG1 4.46Å; L358-F397 HydrophobicContact CB-CD2 3.99Å; L358-F397 HydrophobicContact CB-CE2 3.78Å; L358-F397 HydrophobicContact CB-CZ 4.32Å; L358-F397 HydrophobicContact CD1-CB 4.47Å; L358-F397 HydrophobicContact CD1-CD2 4.04Å; L358-F397 HydrophobicContact CD1-CG 4.37Å
359M84.7Confident70.7Confident98 Ų9893.8 Ų93.848%0.48353%0.525SS..THydrogen-bonded Turntrans-95.3-39-175.9-162.5152.7164.300112.9C357 I378 C382C357-M359 PolarHBondContact O-N 3.31Å; M359-I378 HydrophobicContact CB-CG2 4.22Å; M359-C382 HydrophobicContact CB-CB 3.99Å; M359-C382 WeakPolarHBondContact CE-O 3.48Å; M359-C382 HydrophobicContact CG-CB 4.22Å; M359-C382 HydrophobicContact SD-CB 4.08Å
360C86.6Confident72.8Confident45 Ų4590.6 Ų90.630%0.30450%0.501SS..THydrogen-bonded Turntrans-117.6-2.1-178.470.70000114C357 N362 H379C357-C360 VanDerWaalsContact CB-SG 3.5Å; C360-N362 PolarHBondContact O-N 3.19Å; C360-N362 PolarHBondContact O-ND2 3.27Å; C360-H379 VanDerWaalsContact SG-CE1 3.57Å; C360-H379 PolarHBondContact SG-ND1 2.87Å; C360-H379 VanDerWaalsContact SG-ND1 3.38Å
361Q83.2Confident75.1Confident158 Ų15889.9 Ų89.974%0.73849%0.489SS*.  trans60.611.1-179.7-57.4176.646.100115.1C357C357-Q361 WeakPolarHBondContact O-CA 3.29Å; C357-Q361 PolarHBondContact O-N 2.88Å
362N79.9Confident76.7Confident100 Ų10084.1 Ų84.154%0.53545%0.45SS..SBendtrans-91.5163.3176.6-64.6-45.1000112.3C357 C360C357-N362 WeakPolarHBondContact CB-O 3.31Å; C357-N362 PolarHBondContact N-O 3.02Å; C360-N362 PolarHBondContact O-N 3.19Å; C360-N362 PolarHBondContact O-ND2 3.27Å
363H78.1Confident77.9Confident118 Ų11886.8 Ų86.855%0.54646%0.462SS..BIsolated β-bridgetrans-64137.3179.4-6558.8000110.7I354 H379I354-H363 WeakPolarHBondContact CG2-CD2 3.44Å; H363-H379 PolarHBondContact O-CE1 3.37Å; H363-H379 PolarHBondContact O-NE2 2.86Å
364V77.3Confident79.5Confident18 Ų1882.4 Ų82.411%0.10943%0.434CS..  trans-110.5110.6177.8-174.30000109.2K355 C357 R369 T377K355-V364 PolarHBondContact O-N 3.47Å; C357-V364 HydrophobicContact CB-CG2 3.44Å; C357-V364 VanDerWaalsContact CB-CG2 3.44Å; V364-R369 HydrophobicContact CG1-CB 3.8Å; V364-R369 HydrophobicContact CG1-CG 4.37Å; V364-T377 HydrophobicContact CB-CG2 3.7Å; V364-T377 HydrophobicContact CG1-CG2 3.92Å; V364-T377 HydrophobicContact CG2-CG2 3.83Å
365D77.5Confident80.4Confident91 Ų9181.2 Ų81.249%0.48744%0.436SS..  trans-62.7142.7169.5-69-46.5000110.1E367 N368 R369D365-E367 PolarHBondContact O-N 3.27Å; D365-E367 VanDerWaalsContact O-N 3.08Å; D365-N368 PolarHBondContact O-N 2.92Å; D365-R369 PolarHBondContact O-N 3.45Å
366P73.6Confident81Confident118 Ų11878.6 Ų78.677%0.76643%0.426SS*.G310 helixtrans-54.1-31.9-178.6-25.833.4000114
367E74.6Confident81.2Confident176 Ų17674.9 Ų74.982%0.82241%0.407SS*.G310 helixtrans-73.8-30.3178.3-61.6-171.6159.600113D365D365-E367 PolarHBondContact O-N 3.27Å; D365-E367 VanDerWaalsContact O-N 3.08Å
368N79.1Confident81.2Confident84 Ų8474.9 Ų74.945%0.44941%0.406SS..G310 helixtrans-94.75.8-178.4-73.6-25.1000113.3D365 H379 R380D365-N368 PolarHBondContact O-N 2.92Å; N368-H379 WeakPolarHBondContact O-CA 3.43Å; N368-R380 PolarHBondContact O-N 3.21Å
369R83.1Confident81.5Confident82 Ų8272.4 Ų72.431%0.30939%0.393SS..BIsolated β-bridgetrans-80.1132.4177.8-177.1173176.6-105.9-9.2111.3V364 D365 H376 T377V364-R369 HydrophobicContact CG1-CB 3.8Å; V364-R369 HydrophobicContact CG1-CG 4.37Å; D365-R369 PolarHBondContact O-N 3.45Å; R369-H376 PolarHBondContact NH2-O 2.92Å; R369-H376 VanDerWaalsContact NH2-O 3.08Å; R369-T377 HydrophobicContact CG-CG2 4.16Å; R369-T377 PolarHBondContact NE-OG1 3.24Å
370H82.4Confident81.5Confident15 Ų1574 Ų747%0.06939%0.394CS..  trans-76.9133.8170.3-164.480.1000111.1L372 I378 R380 I383 L387H370-L372 PolarHBondContact O-N 3.35Å; H370-I378 PolarHBondContact N-O 2.92Å; H370-R380 HydrophobicContact CB-CG 4.02Å; H370-I383 HydrophobicContact CB-CG2 3.77Å; H370-L387 WeakPolarHBondContact CE1-CD1 3.48Å
371P80.9Confident81.4Confident74 Ų7477.6 Ų77.648%0.48141%0.409SS..  trans-73.7111.9177.229.3-32.7000110.5
372L80.1Confident81.6Confident20 Ų2071.6 Ų71.611%0.10539%0.385CS..  trans-110.9152.7173-67.2169.1000109.9H370 C374 H376 I378 I383 N393 C395H370-L372 PolarHBondContact O-N 3.35Å; L372-C374 PolarHBondContact O-N 2.98Å; L372-H376 HydrophobicContact CD1-CB 4.47Å; L372-I378 HydrophobicContact CD1-CD1 4.03Å; L372-I378 HydrophobicContact CD1-CG1 4.37Å; L372-I383 HydrophobicContact CD1-CD1 4.26Å; L372-I383 HydrophobicContact CD2-CD1 3.82Å; L372-I383 HydrophobicContact CG-CD1 4.46Å; L372-N393 WeakPolarHBondContact CD2-O 3.41Å; L372-C395 HydrophobicContact CD1-CB 4.08Å; L372-C395 HydrophobicContact CD2-CB 4.23Å
373S76.8Confident81.8Confident102 Ų10266.8 Ų66.871%0.71336%0.359SS*.SBendtrans-70.7-5.8173.454.50000113.8Q401S373-Q401 PolarHBondContact OG-NE2 2.96Å
374C83.2Confident82.1Confident29 Ų2966.1 Ų66.120%0.19636%0.356CS..SBendtrans-111.3170.8176.7650000112.3L372 H376 C395 C398L372-C374 PolarHBondContact O-N 2.98Å; C374-H376 PolarHBondContact O-N 3.38Å; C374-C395 WeakPolarHBondContact SG-CB 3.46Å; C374-C395 VanDerWaalsContact SG-SG 3.6Å; C374-C398 VanDerWaalsContact SG-SG 3.69Å
375S80.3Confident82.1Confident98 Ų9871.6 Ų71.669%0.68538%0.382SS*.SBendtrans-73.3-6.2179.258.20000115.1
376H86.3Confident82.3Confident57 Ų5772.6 Ų72.626%0.26438%0.379SS..  trans-65.5153.9180-63.4131.5000113.2L358 R369 L372 C374 C395 C398L358-H376 HydrophobicContact CD1-CB 3.87Å; L358-H376 VanDerWaalsContact CD1-CD2 3.45Å; L358-H376 WeakPolarHBondContact CD1-CD2 3.4Å; R369-H376 PolarHBondContact NH2-O 2.92Å; R369-H376 VanDerWaalsContact NH2-O 3.08Å; L372-H376 HydrophobicContact CD1-CB 4.47Å; C374-H376 PolarHBondContact O-N 3.38Å; H376-C395 PolarHBondContact ND1-SG 3.41Å; H376-C395 VanDerWaalsContact ND1-SG 3.36Å; H376-C398 PolarHBondContact ND1-SG 3.27Å; H376-C398 VanDerWaalsContact ND1-SG 3.42Å
377T87.4Confident82.5Confident8 Ų869.1 Ų69.15%0.04935%0.354CS..  trans-127.7120.5-175.2-59.60000109.1K355 C357 L358 V364 R369K355-T377 HydrophobicContact CB-CG2 3.87Å; K355-T377 WeakPolarHBondContact CD-OG1 3.41Å; C357-T377 WeakPolarHBondContact CA-O 3.32Å; L358-T377 PolarHBondContact N-O 3.41Å; L358-T377 VanDerWaalsContact N-O 3.13Å; V364-T377 HydrophobicContact CB-CG2 3.7Å; V364-T377 HydrophobicContact CG1-CG2 3.92Å; V364-T377 HydrophobicContact CG2-CG2 3.83Å; R369-T377 HydrophobicContact CG-CG2 4.16Å; R369-T377 PolarHBondContact NE-OG1 3.24Å
378I86.2Confident82.5Confident0 Ų067.2 Ų67.20%035%0.345CS..  trans-142.9141.4-177.7-50.9174.6000107L358 M359 H370 L372 C382 I383 P396 F397L358-I378 HydrophobicContact CB-CG1 4.46Å; M359-I378 HydrophobicContact CB-CG2 4.22Å; H370-I378 PolarHBondContact N-O 2.92Å; L372-I378 HydrophobicContact CD1-CD1 4.03Å; L372-I378 HydrophobicContact CD1-CG1 4.37Å; I378-C382 HydrophobicContact CG2-CB 3.91Å; I378-I383 HydrophobicContact CD1-CD1 4.12Å; I378-I383 HydrophobicContact CG2-CB 3.86Å; I378-P396 HydrophobicContact CD1-CG 4.05Å; I378-F397 HydrophobicContact CD1-CD2 3.85Å; I378-F397 HydrophobicContact CD1-CE2 3.81Å
379H90.1Very high82.2Confident29 Ų2968.3 Ų68.313%0.13436%0.359CS..BIsolated β-bridgetrans-62.7147.4172.5-63107.5000110.9C357 C360 H363 N368 D381 C382 I383C357-H379 WeakPolarHBondContact CB-ND1 3.26Å; C357-H379 PolarHBondContact SG-ND1 2.64Å; C360-H379 VanDerWaalsContact SG-CE1 3.57Å; C360-H379 PolarHBondContact SG-ND1 2.87Å; C360-H379 VanDerWaalsContact SG-ND1 3.38Å; H363-H379 PolarHBondContact O-CE1 3.37Å; H363-H379 PolarHBondContact O-NE2 2.86Å; N368-H379 WeakPolarHBondContact O-CA 3.43Å; H379-D381 PolarHBondContact O-N 3.14Å; H379-C382 HydrophobicContact CB-CB 4.06Å; H379-C382 PolarHBondContact O-N 3.35Å; H379-I383 PolarHBondContact O-N 3.23Å
380R84.9Confident81.3Confident133 Ų13365.5 Ų65.550%0.50235%0.352SS..Hα-helixtrans-53.2-40.3171.8-77.9-171.4161.4-111.90.2112.4N368 H370 I383 Q384N368-R380 PolarHBondContact O-N 3.21Å; H370-R380 HydrophobicContact CB-CG 4.02Å; R380-I383 WeakPolarHBondContact O-CG2 3.38Å; R380-Q384 PolarHBondContact O-N 2.98Å
381D84.6Confident80.3Confident119 Ų11974.9 Ų74.964%0.63639%0.393SS*.Hα-helixtrans-75.1-38.6-177.7-52.9-25.9000111.8H379 I383 Q384H379-D381 PolarHBondContact O-N 3.14Å; D381-I383 PolarHBondContact O-N 3.04Å; D381-Q384 WeakPolarHBondContact O-CB 3.43Å; D381-Q384 PolarHBondContact O-N 2.81Å
382C86.4Confident79.5Confident32 Ų3276.9 Ų76.922%0.21640%0.399CS..Hα-helixtrans-64.9-40.2179.6-68.20000111.9M359 I378 H379 Q384M359-C382 HydrophobicContact CB-CB 3.99Å; M359-C382 WeakPolarHBondContact CE-O 3.48Å; M359-C382 HydrophobicContact CG-CB 4.22Å; M359-C382 HydrophobicContact SD-CB 4.08Å; I378-C382 HydrophobicContact CG2-CB 3.91Å; H379-C382 HydrophobicContact CB-CB 4.06Å; H379-C382 PolarHBondContact O-N 3.35Å; C382-Q384 VanDerWaalsContact C-N 3.32Å; C382-Q384 PolarHBondContact O-N 3.14Å
383I85.5Confident79Confident0 Ų080.9 Ų80.90%042%0.421CS..Hα-helixtrans-81.7-10-177.9-157.4175.1000113.5H370 L372 I378 H379 R380 D381 M385 W386 L387H370-I383 HydrophobicContact CB-CG2 3.77Å; L372-I383 HydrophobicContact CD1-CD1 4.26Å; L372-I383 HydrophobicContact CD2-CD1 3.82Å; L372-I383 HydrophobicContact CG-CD1 4.46Å; I378-I383 HydrophobicContact CD1-CD1 4.12Å; I378-I383 HydrophobicContact CG2-CB 3.86Å; H379-I383 PolarHBondContact O-N 3.23Å; R380-I383 WeakPolarHBondContact O-CG2 3.38Å; D381-I383 PolarHBondContact O-N 3.04Å; I383-M385 VanDerWaalsContact C-N 3.31Å; I383-M385 PolarHBondContact O-N 3.14Å; I383-W386 HydrophobicContact CG1-CB 4.22Å; I383-W386 WeakPolarHBondContact O-CB 3.3Å; I383-W386 PolarHBondContact O-N 3.41Å; I383-L387 HydrophobicContact CG1-CG 4.23Å; I383-L387 HydrophobicContact CG2-CD1 3.79Å; I383-L387 HydrophobicContact CG2-CG 4.35Å; I383-L387 PolarHBondContact O-N 2.9Å
384Q83.3Confident79Confident104 Ų10477 Ų7749%0.48639%0.394SS..Hα-helixtrans-57.4-41.1-172.5-174.1174.5-13.400113.2R380 D381 C382 W386 L387 Q388R380-Q384 PolarHBondContact O-N 2.98Å; D381-Q384 WeakPolarHBondContact O-CB 3.43Å; D381-Q384 PolarHBondContact O-N 2.81Å; C382-Q384 VanDerWaalsContact C-N 3.32Å; C382-Q384 PolarHBondContact O-N 3.14Å; Q384-W386 VanDerWaalsContact C-N 3.29Å; Q384-W386 PolarHBondContact O-N 3.21Å; Q384-L387 PolarHBondContact O-N 3.35Å; Q384-Q388 WeakPolarHBondContact O-CG 3.42Å; Q384-Q388 PolarHBondContact O-N 2.84Å
385M78Confident79Confident133 Ų13375.9 Ų75.966%0.65539%0.386SS*.Hα-helixtrans-64.9-33.2177.5-70.3-62.5-63.300112.5I383I383-M385 VanDerWaalsContact C-N 3.31Å; I383-M385 PolarHBondContact O-N 3.14Å
386W80.8Confident78.9Confident112 Ų11273 Ų7342%0.42437%0.365SS..Hα-helixtrans-73-44.5177.8178.9-99.6000111.6I383 Q384 Q388 S389 S390 S394 P396I383-W386 HydrophobicContact CG1-CB 4.22Å; I383-W386 WeakPolarHBondContact O-CB 3.3Å; I383-W386 PolarHBondContact O-N 3.41Å; Q384-W386 VanDerWaalsContact C-N 3.29Å; Q384-W386 PolarHBondContact O-N 3.21Å; W386-Q388 PolarHBondContact O-N 3.25Å; W386-S389 PolarHBondContact O-N 3.1Å; W386-S390 PolarHBondContact O-N 3.49Å; W386-S390 VanDerWaalsContact O-N 3.07Å; W386-S390 PolarHBondContact O-OG 2.91Å; W386-S394 PolarHBondContact NE1-O 3.15Å; W386-P396 HydrophobicContact CD2-CB 3.76Å; W386-P396 HydrophobicContact CD2-CG 4.4Å; W386-P396 HydrophobicContact CE3-CB 4.23Å; W386-P396 HydrophobicContact CG-CB 4.11Å; W386-P396 HydrophobicContact CG-CG 4.23Å; W386-P396 HydrophobicContact CH2-CB 4.39Å; W386-P396 HydrophobicContact CZ2-CB 3.94Å
387L79.3Confident78.6Confident44 Ų4474.9 Ų74.923%0.2337%0.373CS..Hα-helixtrans-62.4-25.6179.3-68.6172.3000113.8H370 I383 Q384 S389H370-L387 WeakPolarHBondContact CE1-CD1 3.48Å; I383-L387 HydrophobicContact CG1-CG 4.23Å; I383-L387 HydrophobicContact CG2-CD1 3.79Å; I383-L387 HydrophobicContact CG2-CG 4.35Å; I383-L387 PolarHBondContact O-N 2.9Å; Q384-L387 PolarHBondContact O-N 3.35Å; L387-S389 PolarHBondContact O-N 3.08Å
388Q74.5Confident78.3Confident137 Ų13776.1 Ų76.164%0.6438%0.381SS*.THydrogen-bonded Turntrans-66.6-25.2173.8-72.31748.700112.5Q384 W386Q384-Q388 WeakPolarHBondContact O-CG 3.42Å; Q384-Q388 PolarHBondContact O-N 2.84Å; W386-Q388 PolarHBondContact O-N 3.25Å
389S71.7Confident77.4Confident107 Ų10782.1 Ų82.175%0.74842%0.42SS*.THydrogen-bonded Turntrans-98.7-29-178.5-56.20000112.7W386 L387W386-S389 PolarHBondContact O-N 3.1Å; L387-S389 PolarHBondContact O-N 3.08Å
390S64.8Low75.8Confident22 Ų2287.7 Ų87.715%0.15445%0.451CS..  trans-102.1116.4179.564.10000111.5W386 N392W386-S390 PolarHBondContact O-N 3.49Å; W386-S390 VanDerWaalsContact O-N 3.07Å; W386-S390 PolarHBondContact O-OG 2.91Å; S390-N392 PolarHBondContact O-N 3.33Å; S390-N392 VanDerWaalsContact O-N 3.15Å; S390-N392 PolarHBondContact OG-O 2.91Å
391K61.8Low74.5Confident213 Ų21385.5 Ų85.593%0.92645%0.446SS*.SBendtrans-65.1-17.5-177.8-74-177.8177.8178.20115.1
392N64.3Low72.3Confident116 Ų11688.4 Ų88.462%0.6248%0.476SS*.SBendtrans-112.2150.1177.3-63.8-19.6000108S390 S394S390-N392 PolarHBondContact O-N 3.33Å; S390-N392 VanDerWaalsContact O-N 3.15Å; S390-N392 PolarHBondContact OG-O 2.91Å; N392-S394 PolarHBondContact O-N 2.96Å; N392-S394 PolarHBondContact O-OG 3Å
393N69.2Low71.6Confident104 Ų10491.3 Ų91.356%0.55649%0.489SS*.  trans-66.853.5175.7-62.4-45.9000111.6L372L372-N393 WeakPolarHBondContact CD2-O 3.41Å
394S76.9Confident70.9Confident21 Ų2196.1 Ų96.115%0.14752%0.515CS..  trans-84.6138.8-173.160.30000109.9W386 N392W386-S394 PolarHBondContact NE1-O 3.15Å; N392-S394 PolarHBondContact O-N 2.96Å; N392-S394 PolarHBondContact O-OG 3Å
395C81.7Confident70.2Confident5 Ų595.6 Ų95.63%0.03452%0.516CS..  trans-77127.3179.4-179.60000109.6L372 C374 H376 F397 C398L372-C395 HydrophobicContact CD1-CB 4.08Å; L372-C395 HydrophobicContact CD2-CB 4.23Å; C374-C395 WeakPolarHBondContact SG-CB 3.46Å; C374-C395 VanDerWaalsContact SG-SG 3.6Å; H376-C395 PolarHBondContact ND1-SG 3.41Å; H376-C395 VanDerWaalsContact ND1-SG 3.36Å; C395-F397 PolarHBondContact O-N 3.04Å; C395-F397 VanDerWaalsContact O-N 3.08Å; C395-C398 HydrophobicContact CB-CB 4.21Å; C395-C398 PolarHBondContact O-N 3.24Å
396P79.4Confident69.8Low36 Ų3693.4 Ų93.423%0.23451%0.508CS..THydrogen-bonded Turntrans-64-14.3179.219.7-28.7000114.4I378 W386I378-P396 HydrophobicContact CD1-CG 4.05Å; W386-P396 HydrophobicContact CD2-CB 3.76Å; W386-P396 HydrophobicContact CD2-CG 4.4Å; W386-P396 HydrophobicContact CE3-CB 4.23Å; W386-P396 HydrophobicContact CG-CB 4.11Å; W386-P396 HydrophobicContact CG-CG 4.23Å; W386-P396 HydrophobicContact CH2-CB 4.39Å; W386-P396 HydrophobicContact CZ2-CB 3.94Å
397F79.8Confident69.1Low98 Ų9892.3 Ų92.343%0.4351%0.513SS..THydrogen-bonded Turntrans-110.77.6-174.7-55.4-74000113.3L358 I378 C395L358-F397 HydrophobicContact CB-CD2 3.99Å; L358-F397 HydrophobicContact CB-CE2 3.78Å; L358-F397 HydrophobicContact CB-CZ 4.32Å; L358-F397 HydrophobicContact CD1-CB 4.47Å; L358-F397 HydrophobicContact CD1-CD2 4.04Å; L358-F397 HydrophobicContact CD1-CG 4.37Å; I378-F397 HydrophobicContact CD1-CD2 3.85Å; I378-F397 HydrophobicContact CD1-CE2 3.81Å; C395-F397 PolarHBondContact O-N 3.04Å; C395-F397 VanDerWaalsContact O-N 3.08Å
398C81.3Confident68.4Low34 Ų3495.5 Ų95.523%0.2353%0.532CS..  trans-94.5130.4174.4-70.60000110.5C374 H376 C395 D400C374-C398 VanDerWaalsContact SG-SG 3.69Å; H376-C398 PolarHBondContact ND1-SG 3.27Å; H376-C398 VanDerWaalsContact ND1-SG 3.42Å; C395-C398 HydrophobicContact CB-CB 4.21Å; C395-C398 PolarHBondContact O-N 3.24Å; C398-D400 VanDerWaalsContact C-N 3.31Å; C398-D400 PolarHBondContact O-N 3.21Å
399P67.4Low68Low126 Ų12692.5 Ų92.582%0.81853%0.525SS*.SBendtrans-73.4-13.8-179.324.9-30.6000115
400D56.8Low67.7Low145 Ų14591.4 Ų91.478%0.77551%0.507SS*.  trans-131.485-177.2-77.3-48.4000112.9C398C398-D400 VanDerWaalsContact C-N 3.31Å; C398-D400 PolarHBondContact O-N 3.21Å
401Q56.3Low67.9Low87 Ų8797.2 Ų97.241%0.40754%0.537SS..  trans-138.768.6159.8-67.6-162.724.500110.1S373S373-Q401 PolarHBondContact OG-NE2 2.96Å
402S40Very low68.5Low181 Ų18186.6 Ų86.6100%1.26650%0.501SS*.  trans-83.70153.459.90000109.9

Retrieved 402 of 402 residues in 444.8 ms (Link to these results)