A0A3Q0KSC7_SCHMA Loading...

Putative ubinuclein/yemanuclein

AlphaFold DB (A0A5K4EW09), UniProt , Accession A0A3Q0KSC7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 880 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
1M38.7Very low55.7Low230 Ų230145 Ų145100%1.13378%0.781SS**  0145.30-81.3177.7148.100107.9
2H39.7Very low57.5Low155 Ų155137.5 Ų137.572%0.71874%0.736SS**  trans37.188.9173.2-60.2-72.5000117.3E4H2-E4 HydrophobicContact CB-CG 4.38Å; H2-E4 PolarHBondContact O-N 3.18Å
3S39.2Very low59Low133 Ų133141.2 Ų141.293%0.9375%0.746SS**  trans-81.385.2150.2-57.10000108A5S3-A5 PolarHBondContact O-N 2.9Å
4E40.7Very low60.1Low165 Ų165137 Ų13777%0.77172%0.723SS**  trans-80.3102.1169.6-77.3176.1146.200109H2H2-E4 HydrophobicContact CB-CG 4.38Å; H2-E4 PolarHBondContact O-N 3.18Å
5A45.4Very low60.8Low84 Ų84135 Ų13569%0.69472%0.724SS**  trans-74.1130.7163.100000108.1S3 E7S3-A5 PolarHBondContact O-N 2.9Å; A5-E7 VanDerWaalsContact C-N 3.29Å; A5-E7 PolarHBondContact O-N 3.02Å
6N48.1Very low61.5Low157 Ų157133.9 Ų133.984%0.8472%0.717SS**  trans-71.585.4174.9-78.7-44.5000110.1K8N6-K8 PolarHBondContact O-N 3.4Å
7E55.2Low62Low183 Ų183130.1 Ų130.186%0.85570%0.702SS**  trans-65.597167.9-69.5-170.1142.900109.4A5 T9A5-E7 VanDerWaalsContact C-N 3.29Å; A5-E7 PolarHBondContact O-N 3.02Å; E7-T9 PolarHBondContact O-N 3.34Å
8K73.4Confident62.5Low187 Ų187132.9 Ų132.981%0.81372%0.716SS**  trans-77.598169.3-71.8-172.6175.5-173.30109N6 V10N6-K8 PolarHBondContact O-N 3.4Å; K8-V10 PolarHBondContact O-N 3.48Å
9T78.2Confident62.8Low129 Ų129132.6 Ų132.679%0.79172%0.715SS**  trans-60.3122.3168-480000109.7E7 V11E7-T9 PolarHBondContact O-N 3.34Å; T9-V11 HydrophobicContact CG2-CG2 4.49Å
10V74.3Confident62.9Low42 Ų42136.3 Ų136.326%0.25573%0.727SS.*  trans-101.2128.4170.1-178.70000107.9K8 F12 H34K8-V10 PolarHBondContact O-N 3.48Å; V10-F12 HydrophobicContact CB-CE2 4.23Å; V10-F12 HydrophobicContact CB-CZ 4.11Å; V10-F12 HydrophobicContact CG1-CD1 4.2Å; V10-F12 HydrophobicContact CG1-CD2 4.39Å; V10-F12 HydrophobicContact CG1-CE1 3.6Å; V10-F12 HydrophobicContact CG1-CE2 3.81Å; V10-F12 HydrophobicContact CG1-CZ 3.39Å; V10-H34 HydrophobicContact CG1-CB 4.45Å
11V79.5Confident62.8Low130 Ų130131.6 Ų131.679%0.78871%0.711SS**  trans-106.8129.3174.4-178.30000107.9T9T9-V11 HydrophobicContact CG2-CG2 4.49Å
12F78.2Confident63.5Low55 Ų55126.3 Ų126.324%0.24170%0.696CS.*  trans-107.9126.4176.3-55.8-79.8000109.1V10 I14 Y27 L30 F31 H34V10-F12 HydrophobicContact CB-CE2 4.23Å; V10-F12 HydrophobicContact CB-CZ 4.11Å; V10-F12 HydrophobicContact CG1-CD1 4.2Å; V10-F12 HydrophobicContact CG1-CD2 4.39Å; V10-F12 HydrophobicContact CG1-CE1 3.6Å; V10-F12 HydrophobicContact CG1-CE2 3.81Å; V10-F12 HydrophobicContact CG1-CZ 3.39Å; F12-I14 HydrophobicContact CB-CG1 4.36Å; F12-I14 PolarHBondContact O-N 2.75Å; F12-Y27 HydrophobicContact CE2-CD2 4.14Å; F12-Y27 AromaticContact CE2-CE2 3.91Å; F12-Y27 HydrophobicContact CE2-CE2 3.91Å; F12-Y27 HydrophobicContact CZ-CE2 4.37Å; F12-L30 HydrophobicContact CB-CD1 4.3Å; F12-L30 HydrophobicContact CD1-CB 3.73Å; F12-L30 VanDerWaalsContact CE1-C 3.46Å; F12-L30 HydrophobicContact CE1-CB 3.85Å; F12-L30 WeakPolarHBondContact CE1-O 3.34Å; F12-L30 HydrophobicContact CG-CB 4.21Å; F12-L30 HydrophobicContact CG-CD1 4.41Å; F12-L30 HydrophobicContact CZ-CB 4.43Å; F12-F31 HydrophobicContact CZ-CB 4.11Å; F12-F31 HydrophobicContact CZ-CD2 4.17Å; F12-H34 HydrophobicContact CE1-CB 3.91Å
13E76.9Confident64.7Low185 Ų185123 Ų12386%0.86468%0.68SS**  trans-87.6105.2171.9-170.6163.9-14000108.1S15E13-S15 PolarHBondContact O-N 3.33Å
14I74.5Confident66Low83 Ų83125 Ų12543%0.42668%0.675SS.*  trans-96.694-176.4-54176.5000108.2F12 L16 C25 L30F12-I14 HydrophobicContact CB-CG1 4.36Å; F12-I14 PolarHBondContact O-N 2.75Å; I14-L16 VanDerWaalsContact C-N 3.29Å; I14-L16 HydrophobicContact CG2-CD2 4.27Å; I14-L16 HydrophobicContact CG2-CG 4.22Å; I14-L16 PolarHBondContact O-N 2.79Å; I14-C25 HydrophobicContact CG2-CB 4.3Å; I14-L30 HydrophobicContact CD1-CD1 4.08Å; I14-L30 HydrophobicContact CG1-CD1 4.14Å
15S70.6Confident67.3Low107 Ų107120.2 Ų120.275%0.74866%0.659SS**  trans-70.683.3173-54.60000110.6E13 P17E13-S15 PolarHBondContact O-N 3.33Å; S15-P17 WeakPolarHBondContact O-CD 3.4Å
16L70.8Confident68.6Low117 Ų117118.7 Ų118.761%0.61364%0.644SS**  trans-66.3122.9166.3-67.2170.2000108.8I14 H23I14-L16 VanDerWaalsContact C-N 3.29Å; I14-L16 HydrophobicContact CG2-CD2 4.27Å; I14-L16 HydrophobicContact CG2-CG 4.22Å; I14-L16 PolarHBondContact O-N 2.79Å; L16-H23 HydrophobicContact CD2-CB 3.88Å
17P71Confident70Confident70 Ų70118 Ų11846%0.45563%0.63SS.*  trans-64.3152.8166.1-19.133.7000110.8S15 D19S15-P17 WeakPolarHBondContact O-CD 3.4Å; P17-D19 HydrophobicContact CB-CB 4.27Å; P17-D19 PolarHBondContact O-N 2.76Å
18D71.5Confident71.2Confident180 Ų180115.2 Ų115.296%0.96362%0.621SS**SBendtrans-73.514.8171.4-61.2-56.6000113.4
19D67.9Low71.4Confident128 Ų128112.9 Ų112.968%0.68461%0.613SS**SBendtrans-86.6136.3176.5-143-9000108P17 G21P17-D19 HydrophobicContact CB-CB 4.27Å; P17-D19 PolarHBondContact O-N 2.76Å; D19-G21 PolarHBondContact O-N 3.17Å
20E64.4Low71.6Confident205 Ų205108.6 Ų108.696%0.95859%0.585SS**  trans-74.730.5-178.2-64.8-163.916500113.3
21G61.8Low71.9Confident39 Ų39110.1 Ų110.140%0.40259%0.588SS.*SBendtrans-71.6143.1171.200000111.8D19 H23D19-G21 PolarHBondContact O-N 3.17Å; G21-H23 VanDerWaalsContact C-N 3.28Å; G21-H23 PolarHBondContact O-CD2 3.29Å; G21-H23 PolarHBondContact O-N 3.24Å
22C52Low71.8Confident119 Ų119109.4 Ų109.480%0.80458%0.576SS**  trans-73.485.3171-163.80000109.5E24C22-E24 VanDerWaalsContact C-N 3.3Å; C22-E24 PolarHBondContact O-N 3.08Å
23H64.5Low71.7Confident84 Ų84113 Ų11339%0.38959%0.593SS.*  trans-76.376.1-177.4-70.9-67.5000111.8L16 G21 C25L16-H23 HydrophobicContact CD2-CB 3.88Å; G21-H23 VanDerWaalsContact C-N 3.28Å; G21-H23 PolarHBondContact O-CD2 3.29Å; G21-H23 PolarHBondContact O-N 3.24Å; H23-C25 PolarHBondContact O-N 3.16Å
24E67Low71.8Confident175 Ų175107.1 Ų107.182%0.81857%0.566SS**  trans-65.996.6174.1-68.9-171.7-178.800111.6C22C22-E24 VanDerWaalsContact C-N 3.3Å; C22-E24 PolarHBondContact O-N 3.08Å
25C67.5Low71.9Confident65 Ų65107.5 Ų107.544%0.43957%0.568SS.*  trans-92.5108.7173.154.40000111.1I14 H23 Y27 L30I14-C25 HydrophobicContact CG2-CB 4.3Å; H23-C25 PolarHBondContact O-N 3.16Å; C25-Y27 PolarHBondContact O-N 3.46Å; C25-L30 HydrophobicContact CB-CD1 4.35Å
26S74.1Confident72.1Confident53 Ų53107.4 Ų107.437%0.37156%0.556SS.*  trans-73.3120.2178.5177.20000111.7L28 E29 L30S26-L28 PolarHBondContact O-N 2.88Å; S26-L28 PolarHBondContact OG-N 3Å; S26-E29 PolarHBondContact O-N 3.22Å; S26-L30 PolarHBondContact O-N 3.16Å
27Y76.9Confident71.9Confident142 Ų142104.6 Ų104.656%0.55755%0.546SS*.Hα-helixtrans-54.4-37.1172.2164.4-96.8000112.3F12 C25 E29 F31F12-Y27 HydrophobicContact CE2-CD2 4.14Å; F12-Y27 AromaticContact CE2-CE2 3.91Å; F12-Y27 HydrophobicContact CE2-CE2 3.91Å; F12-Y27 HydrophobicContact CZ-CE2 4.37Å; C25-Y27 PolarHBondContact O-N 3.46Å; Y27-E29 VanDerWaalsContact C-N 3.32Å; Y27-E29 PolarHBondContact O-N 3Å; Y27-F31 HydrophobicContact CE2-CB 4.45Å; Y27-F31 WeakPolarHBondContact O-CB 3.3Å; Y27-F31 PolarHBondContact O-N 3.2Å
28L79.7Confident71.9Confident125 Ų125105.8 Ų105.865%0.65455%0.548SS*.Hα-helixtrans-64.7-38.6178.3-72.7166.7000111.6S26 Q32S26-L28 PolarHBondContact O-N 2.88Å; S26-L28 PolarHBondContact OG-N 3Å; L28-Q32 WeakPolarHBondContact O-CB 3.45Å; L28-Q32 PolarHBondContact O-N 2.83Å
29E79Confident71.4Confident138 Ų138104 Ų10465%0.64554%0.538SS*.Hα-helixtrans-74.5-43.7-179.5-168.8165.6-148.600111.5S26 Y27 F31 Q32 Q33S26-E29 PolarHBondContact O-N 3.22Å; Y27-E29 VanDerWaalsContact C-N 3.32Å; Y27-E29 PolarHBondContact O-N 3Å; E29-F31 PolarHBondContact O-N 2.89Å; E29-Q32 PolarHBondContact O-N 2.79Å; E29-Q33 WeakPolarHBondContact O-CB 3.34Å; E29-Q33 PolarHBondContact O-N 3.12Å
30L81.8Confident71Confident39 Ų39104.1 Ų104.120%0.20454%0.539CS..Hα-helixtrans-58.6-45.7171.1-70.6173.4000111.7F12 I14 C25 S26 Q32 Q33 H34F12-L30 HydrophobicContact CB-CD1 4.3Å; F12-L30 HydrophobicContact CD1-CB 3.73Å; F12-L30 VanDerWaalsContact CE1-C 3.46Å; F12-L30 HydrophobicContact CE1-CB 3.85Å; F12-L30 WeakPolarHBondContact CE1-O 3.34Å; F12-L30 HydrophobicContact CG-CB 4.21Å; F12-L30 HydrophobicContact CG-CD1 4.41Å; F12-L30 HydrophobicContact CZ-CB 4.43Å; I14-L30 HydrophobicContact CD1-CD1 4.08Å; I14-L30 HydrophobicContact CG1-CD1 4.14Å; C25-L30 HydrophobicContact CB-CD1 4.35Å; S26-L30 PolarHBondContact O-N 3.16Å; L30-Q32 VanDerWaalsContact C-N 3.35Å; L30-Q33 PolarHBondContact O-N 3.32Å; L30-H34 WeakPolarHBondContact O-CB 3.26Å; L30-H34 PolarHBondContact O-N 3.11Å
31F81.1Confident70.5Confident73 Ų73102 Ų10232%0.3253%0.529SS..Hα-helixtrans-66-36.5176.7-172.9-96.3000112F12 Y27 E29 H34 L35F12-F31 HydrophobicContact CZ-CB 4.11Å; F12-F31 HydrophobicContact CZ-CD2 4.17Å; Y27-F31 HydrophobicContact CE2-CB 4.45Å; Y27-F31 WeakPolarHBondContact O-CB 3.3Å; Y27-F31 PolarHBondContact O-N 3.2Å; E29-F31 PolarHBondContact O-N 2.89Å; F31-H34 PolarHBondContact O-N 3.25Å; F31-L35 HydrophobicContact CD1-CD1 3.96Å; F31-L35 HydrophobicContact CD1-CG 4.24Å; F31-L35 HydrophobicContact CE1-CD1 3.67Å; F31-L35 HydrophobicContact CE1-CD2 4.37Å; F31-L35 HydrophobicContact CE1-CG 4Å; F31-L35 WeakPolarHBondContact O-CG 3.3Å; F31-L35 PolarHBondContact O-N 3.36Å
32Q76.9Confident69.4Low115 Ų115107.1 Ų107.154%0.53754%0.54SS..Hα-helixtrans-67.5-42.2174.7-173.8165.4-10.600111.7L28 E29 L30 H34 L35 E36L28-Q32 WeakPolarHBondContact O-CB 3.45Å; L28-Q32 PolarHBondContact O-N 2.83Å; E29-Q32 PolarHBondContact O-N 2.79Å; L30-Q32 VanDerWaalsContact C-N 3.35Å; Q32-H34 VanDerWaalsContact C-N 3.27Å; Q32-H34 PolarHBondContact O-N 3.37Å; Q32-L35 PolarHBondContact O-N 2.95Å; Q32-E36 WeakPolarHBondContact O-CG 3.37Å; Q32-E36 PolarHBondContact O-N 3.46Å
33Q75.6Confident69.1Low130 Ų130106.1 Ų106.161%0.60753%0.532SS*.Hα-helixtrans-63.7-31.8172.3-165.8-179.617.600112.1E29 L30 S37E29-Q33 WeakPolarHBondContact O-CB 3.34Å; E29-Q33 PolarHBondContact O-N 3.12Å; L30-Q33 PolarHBondContact O-N 3.32Å; Q33-S37 WeakPolarHBondContact O-CB 3.33Å; Q33-S37 PolarHBondContact O-N 3.39Å; Q33-S37 PolarHBondContact O-OG 3.09Å
34H78.6Confident68.2Low62 Ų62107.9 Ų107.929%0.28754%0.541SS..Hα-helixtrans-70.1-42.3171.7-170.572000112.5V10 F12 L30 F31 Q32 E36 S37 I38V10-H34 HydrophobicContact CG1-CB 4.45Å; F12-H34 HydrophobicContact CE1-CB 3.91Å; L30-H34 WeakPolarHBondContact O-CB 3.26Å; L30-H34 PolarHBondContact O-N 3.11Å; F31-H34 PolarHBondContact O-N 3.25Å; Q32-H34 VanDerWaalsContact C-N 3.27Å; Q32-H34 PolarHBondContact O-N 3.37Å; H34-E36 PolarHBondContact O-N 3.35Å; H34-S37 WeakPolarHBondContact CA-OG 3.43Å; H34-S37 PolarHBondContact O-N 3.47Å; H34-S37 PolarHBondContact O-OG 3.47Å; H34-S37 VanDerWaalsContact O-OG 3.12Å; H34-I38 WeakPolarHBondContact NE2-CD1 3.31Å; H34-I38 VanDerWaalsContact O-CG1 3.29Å; H34-I38 WeakPolarHBondContact O-CG1 3.35Å; H34-I38 PolarHBondContact O-N 2.86Å
35L77.1Confident67.3Low92 Ų92107.3 Ų107.348%0.48254%0.543SS..Hα-helixtrans-61.6-42.3171.8-71.8176.9000111.9F31 Q32 I38 N39F31-L35 HydrophobicContact CD1-CD1 3.96Å; F31-L35 HydrophobicContact CD1-CG 4.24Å; F31-L35 HydrophobicContact CE1-CD1 3.67Å; F31-L35 HydrophobicContact CE1-CD2 4.37Å; F31-L35 HydrophobicContact CE1-CG 4Å; F31-L35 WeakPolarHBondContact O-CG 3.3Å; F31-L35 PolarHBondContact O-N 3.36Å; Q32-L35 PolarHBondContact O-N 2.95Å; L35-I38 PolarHBondContact O-N 3.49Å; L35-N39 VanDerWaalsContact O-CB 3.3Å; L35-N39 WeakPolarHBondContact O-CB 3.38Å; L35-N39 PolarHBondContact O-N 2.87Å
36E74.1Confident66.6Low105 Ų105108.9 Ų108.949%0.49155%0.547SS..Hα-helixtrans-67-38.8177-74.1-178.9-169.700112.2Q32 H34 N39 N40Q32-E36 WeakPolarHBondContact O-CG 3.37Å; Q32-E36 PolarHBondContact O-N 3.46Å; H34-E36 PolarHBondContact O-N 3.35Å; E36-N39 PolarHBondContact O-N 3.39Å; E36-N40 VanDerWaalsContact O-CB 3.29Å; E36-N40 WeakPolarHBondContact O-CB 3.27Å; E36-N40 PolarHBondContact O-N 3.08Å; E36-N40 PolarHBondContact O-ND2 3.29Å
37S68.2Low65.8Low58 Ų58111.2 Ų111.241%0.40656%0.561SS.*Hα-helixtrans-72-33.9175.750.40000113Q33 H34 N40 Q41Q33-S37 WeakPolarHBondContact O-CB 3.33Å; Q33-S37 PolarHBondContact O-N 3.39Å; Q33-S37 PolarHBondContact O-OG 3.09Å; H34-S37 WeakPolarHBondContact CA-OG 3.43Å; H34-S37 PolarHBondContact O-N 3.47Å; H34-S37 PolarHBondContact O-OG 3.47Å; H34-S37 VanDerWaalsContact O-OG 3.12Å; S37-N40 PolarHBondContact O-N 2.92Å; S37-Q41 PolarHBondContact O-N 3.03Å; S37-Q41 VanDerWaalsContact O-N 3.14Å
38I70.6Confident64.6Low95 Ų95112.3 Ų112.349%0.48757%0.569SS.*Hα-helixtrans-60.6-48.3166.8-70166.1000110.3H34 L35 N40 Q41H34-I38 WeakPolarHBondContact NE2-CD1 3.31Å; H34-I38 VanDerWaalsContact O-CG1 3.29Å; H34-I38 WeakPolarHBondContact O-CG1 3.35Å; H34-I38 PolarHBondContact O-N 2.86Å; L35-I38 PolarHBondContact O-N 3.49Å; I38-N40 VanDerWaalsContact C-N 3.27Å; I38-N40 PolarHBondContact O-N 3.49Å; I38-Q41 PolarHBondContact O-N 2.68Å; I38-Q41 VanDerWaalsContact O-N 3.13Å
39N60Low63.5Low141 Ų141108.6 Ų108.675%0.75456%0.556SS**Hα-helixtrans-70.3-23.8-176.3-157.630.1000112.9L35 E36L35-N39 VanDerWaalsContact O-CB 3.3Å; L35-N39 WeakPolarHBondContact O-CB 3.38Å; L35-N39 PolarHBondContact O-N 2.87Å; E36-N39 PolarHBondContact O-N 3.39Å
40N59.3Low62.4Low132 Ų132107 Ų10771%0.70656%0.56SS**Hα-helixtrans-88.1-6.2172.8-74.9-58.3000113.9E36 S37 I38 K42E36-N40 VanDerWaalsContact O-CB 3.29Å; E36-N40 WeakPolarHBondContact O-CB 3.27Å; E36-N40 PolarHBondContact O-N 3.08Å; E36-N40 PolarHBondContact O-ND2 3.29Å; S37-N40 PolarHBondContact O-N 2.92Å; I38-N40 VanDerWaalsContact C-N 3.27Å; I38-N40 PolarHBondContact O-N 3.49Å; N40-K42 VanDerWaalsContact C-N 3.27Å; N40-K42 PolarHBondContact O-N 3Å
41Q53.7Low61.6Low160 Ų160109 Ų10975%0.74857%0.571SS**SBendtrans-73.186.3168.5-80.6-165.811.700110.7S37 I38S37-Q41 PolarHBondContact O-N 3.03Å; S37-Q41 VanDerWaalsContact O-N 3.14Å; I38-Q41 PolarHBondContact O-N 2.68Å; I38-Q41 VanDerWaalsContact O-N 3.13Å
42K39.1Very low61.3Low146 Ų146112.5 Ų112.564%0.63559%0.588SS**  trans-3.599.3161.5-165.7-165.5-166.6-147.70114.1N40 E44N40-K42 VanDerWaalsContact C-N 3.27Å; N40-K42 PolarHBondContact O-N 3Å; K42-E44 VanDerWaalsContact C-N 3.27Å; K42-E44 HydrophobicContact CD-CG 4.1Å; K42-E44 WeakPolarHBondContact CD-OE1 3.35Å; K42-E44 WeakPolarHBondContact CE-OE1 3.26Å; K42-E44 HydrophobicContact CG-CG 4.44Å; K42-E44 IonicContact NZ-OE1 3.51Å; K42-E44 PolarHBondContact NZ-OE1 3.36Å; K42-E44 IonicContact NZ-OE2 2.69Å; K42-E44 PolarHBondContact NZ-OE2 2.71Å; K42-E44 PolarHBondContact O-N 3.43Å
43P46.1Very low61.3Low98 Ų98110.6 Ų110.664%0.63659%0.593SS**  trans-73.482.5172.229.9-34.4000110.4
44E45.9Very low61.4Low122 Ų122106.5 Ų106.557%0.5758%0.581SS**THydrogen-bonded Turntrans-58.5146.7158.8-58-77.379.600108.9K42 N46K42-E44 VanDerWaalsContact C-N 3.27Å; K42-E44 HydrophobicContact CD-CG 4.1Å; K42-E44 WeakPolarHBondContact CD-OE1 3.35Å; K42-E44 WeakPolarHBondContact CE-OE1 3.26Å; K42-E44 HydrophobicContact CG-CG 4.44Å; K42-E44 IonicContact NZ-OE1 3.51Å; K42-E44 PolarHBondContact NZ-OE1 3.36Å; K42-E44 IonicContact NZ-OE2 2.69Å; K42-E44 PolarHBondContact NZ-OE2 2.71Å; K42-E44 PolarHBondContact O-N 3.43Å; E44-N46 PolarHBondContact O-N 2.76Å; E44-N46 VanDerWaalsContact O-N 3.15Å
45D48.4Very low61.6Low163 Ų163108.1 Ų108.187%0.87259%0.588SS**THydrogen-bonded Turntrans55.630.5164.4-60.4-18.9000119P47D45-P47 WeakPolarHBondContact O-CD 3.48Å
46N52.7Low62Low98 Ų98110.4 Ų110.452%0.52460%0.597SS.*  trans-113.492.6167.4-155.9-12.5000112.9E44 F48 A49E44-N46 PolarHBondContact O-N 2.76Å; E44-N46 VanDerWaalsContact O-N 3.15Å; N46-F48 PolarHBondContact O-N 3.08Å; N46-A49 PolarHBondContact O-N 2.86Å
47P57.7Low62.6Low101 Ų101112.1 Ų112.166%0.65660%0.603SS**THydrogen-bonded Turntrans-67.9-12.1-166.626.2-35.1000115.2D45D45-P47 WeakPolarHBondContact O-CD 3.48Å
48F50.3Low63.6Low166 Ų166115.2 Ų115.273%0.72861%0.609SS**THydrogen-bonded Turntrans-88.3-24.4179.8-60.7-77.8000113.8N46 S50 N51N46-F48 PolarHBondContact O-N 3.08Å; F48-S50 PolarHBondContact O-N 3.22Å; F48-S50 VanDerWaalsContact O-N 3.12Å; F48-N51 PolarHBondContact O-N 2.92Å; F48-N51 VanDerWaalsContact O-N 3.15Å
49A57.3Low64.5Low47 Ų47116.1 Ų116.139%0.38861%0.614SS.*Hα-helixtrans-60.8-28.1-173.200000113.5N46 N51 E52N46-A49 PolarHBondContact O-N 2.86Å; A49-N51 PolarHBondContact O-N 3.21Å; A49-N51 VanDerWaalsContact O-N 3.16Å; A49-E52 PolarHBondContact O-N 3.11Å
50S56.5Low65.8Low104 Ų104111.7 Ų111.773%0.72759%0.594SS**Hα-helixtrans-62.4-19.1178.765.70000115F48F48-S50 PolarHBondContact O-N 3.22Å; F48-S50 VanDerWaalsContact O-N 3.12Å
51N64Low67.2Low80 Ų80109.5 Ų109.543%0.42858%0.583SS.*Hα-helixtrans-98.2-23.7-177.3-124.235.1000113.7F48 A49 A54 E55F48-N51 PolarHBondContact O-N 2.92Å; F48-N51 VanDerWaalsContact O-N 3.15Å; A49-N51 PolarHBondContact O-N 3.21Å; A49-N51 VanDerWaalsContact O-N 3.16Å; N51-A54 CarbonylContact O-C 3.54Å; N51-A54 WeakPolarHBondContact O-CA 3.28Å; N51-A54 WeakPolarHBondContact O-CB 3.2Å; N51-A54 PolarHBondContact O-N 2.97Å; N51-A54 VanDerWaalsContact O-N 3.08Å; N51-E55 PolarHBondContact ND2-OE1 2.98Å; N51-E55 WeakPolarHBondContact O-CG 3.45Å; N51-E55 PolarHBondContact O-N 3.43Å
52E74.9Confident69Low147 Ų147106.6 Ų106.669%0.68757%0.572SS**Hα-helixtrans-64-51.7-165.2-172.3162.4-155.800112.8A49 A54 E55 E56A49-E52 PolarHBondContact O-N 3.11Å; E52-A54 PolarHBondContact O-N 3.36Å; E52-E55 CarbonylContact O-C 3.59Å; E52-E55 WeakPolarHBondContact O-CA 3.49Å; E52-E55 PolarHBondContact O-N 2.91Å; E52-E56 PolarHBondContact O-N 2.88Å
53A76.4Confident71.3Confident76 Ų76102.3 Ų102.363%0.62856%0.563SS**Hα-helixtrans-60.9-28.3174.200000113.3K57A53-K57 WeakPolarHBondContact O-CB 3.39Å; A53-K57 PolarHBondContact O-N 3.15Å
54A78.9Confident73.3Confident43 Ų43101.7 Ų101.736%0.35555%0.551SS.*Hα-helixtrans-78-24.9174.300000112.5N51 E52 K58N51-A54 CarbonylContact O-C 3.54Å; N51-A54 WeakPolarHBondContact O-CA 3.28Å; N51-A54 WeakPolarHBondContact O-CB 3.2Å; N51-A54 PolarHBondContact O-N 2.97Å; N51-A54 VanDerWaalsContact O-N 3.08Å; E52-A54 PolarHBondContact O-N 3.36Å; A54-K58 VanDerWaalsContact O-CD 3.27Å; A54-K58 WeakPolarHBondContact O-CD 3.48Å; A54-K58 WeakPolarHBondContact O-CE 3.19Å; A54-K58 WeakPolarHBondContact O-CG 3.39Å; A54-K58 PolarHBondContact O-N 2.79Å
55E82.7Confident75.2Confident96 Ų9698.3 Ų98.345%0.44954%0.543SS..Hα-helixtrans-83.4-40.6174.3-73.1-177.1-155.300112.2N51 E52 K57 K58 L59N51-E55 PolarHBondContact ND2-OE1 2.98Å; N51-E55 WeakPolarHBondContact O-CG 3.45Å; N51-E55 PolarHBondContact O-N 3.43Å; E52-E55 CarbonylContact O-C 3.59Å; E52-E55 WeakPolarHBondContact O-CA 3.49Å; E52-E55 PolarHBondContact O-N 2.91Å; E55-K57 VanDerWaalsContact C-N 3.3Å; E55-K57 PolarHBondContact O-N 3.17Å; E55-K58 WeakPolarHBondContact O-CB 3.25Å; E55-K58 PolarHBondContact O-N 2.9Å; E55-K58 VanDerWaalsContact O-N 3.14Å; E55-L59 WeakPolarHBondContact O-CG 3.49Å; E55-L59 PolarHBondContact O-N 3.41Å
56E85.3Confident76.8Confident141 Ų14194.5 Ų94.566%0.65952%0.523SS*.Hα-helixtrans-57.9-44.1170.1-170.9-172.6-168.500111E52 K58 L59 S60E52-E56 PolarHBondContact O-N 2.88Å; E56-K58 PolarHBondContact O-N 3.07Å; E56-L59 WeakPolarHBondContact O-CB 3.45Å; E56-L59 PolarHBondContact O-N 2.94Å; E56-L59 VanDerWaalsContact O-N 3.15Å; E56-S60 WeakPolarHBondContact O-CB 3.49Å; E56-S60 PolarHBondContact O-N 3.01Å
57K87.5Confident78Confident141 Ų14196.1 Ų96.161%0.61353%0.527SS*.Hα-helixtrans-59.8-44174.9-174.3172.9179.9177.20112.3A53 E55 L59 S60 D61A53-K57 WeakPolarHBondContact O-CB 3.39Å; A53-K57 PolarHBondContact O-N 3.15Å; E55-K57 VanDerWaalsContact C-N 3.3Å; E55-K57 PolarHBondContact O-N 3.17Å; K57-L59 VanDerWaalsContact C-N 3.33Å; K57-L59 PolarHBondContact O-N 3.45Å; K57-S60 PolarHBondContact O-N 2.9Å; K57-D61 WeakPolarHBondContact O-CB 3.29Å; K57-D61 PolarHBondContact O-N 3.49Å
58K88.9Confident79Confident122 Ų122100.5 Ų100.553%0.5353%0.53SS..Hα-helixtrans-61.5-40174.5-69.6161.1-158.5154.90111.5A54 E55 E56 L62A54-K58 VanDerWaalsContact O-CD 3.27Å; A54-K58 WeakPolarHBondContact O-CD 3.48Å; A54-K58 WeakPolarHBondContact O-CE 3.19Å; A54-K58 WeakPolarHBondContact O-CG 3.39Å; A54-K58 PolarHBondContact O-N 2.79Å; E55-K58 WeakPolarHBondContact O-CB 3.25Å; E55-K58 PolarHBondContact O-N 2.9Å; E55-K58 VanDerWaalsContact O-N 3.14Å; E56-K58 PolarHBondContact O-N 3.07Å; K58-L62 WeakPolarHBondContact O-CB 3.18Å; K58-L62 PolarHBondContact O-N 2.85Å
59L88Confident80.4Confident114 Ų11498.7 Ų98.760%0.59752%0.522SS*.Hα-helixtrans-65.3-43.3176.2-74.6162.5000111.6E55 E56 K57 L62 A63E55-L59 WeakPolarHBondContact O-CG 3.49Å; E55-L59 PolarHBondContact O-N 3.41Å; E56-L59 WeakPolarHBondContact O-CB 3.45Å; E56-L59 PolarHBondContact O-N 2.94Å; E56-L59 VanDerWaalsContact O-N 3.15Å; K57-L59 VanDerWaalsContact C-N 3.33Å; K57-L59 PolarHBondContact O-N 3.45Å; L59-L62 PolarHBondContact O-N 3.44Å; L59-A63 WeakPolarHBondContact O-CB 3.37Å; L59-A63 PolarHBondContact O-N 3.02Å
60S88Confident81.3Confident49 Ų49100.8 Ų100.834%0.34352%0.521SS..Hα-helixtrans-64.2-44.7176.6-162.90000112.1E56 K57 A63 K64E56-S60 WeakPolarHBondContact O-CB 3.49Å; E56-S60 PolarHBondContact O-N 3.01Å; K57-S60 PolarHBondContact O-N 2.9Å; S60-A63 PolarHBondContact O-N 3.18Å; S60-K64 WeakPolarHBondContact O-CB 3.47Å; S60-K64 WeakPolarHBondContact O-CD 3.23Å; S60-K64 VanDerWaalsContact O-CG 3.27Å; S60-K64 WeakPolarHBondContact O-CG 3.39Å; S60-K64 PolarHBondContact O-N 3.12Å; S60-K64 PolarHBondContact OG-NZ 2.86Å
61D89.9Confident82Confident86 Ų8697.6 Ų97.646%0.4650%0.504SS..Hα-helixtrans-68.9-35.6176.9-75.2-27.9000111.9K57 A65K57-D61 WeakPolarHBondContact O-CB 3.29Å; K57-D61 PolarHBondContact O-N 3.49Å; D61-A65 VanDerWaalsContact O-CB 3.28Å; D61-A65 WeakPolarHBondContact O-CB 3.47Å; D61-A65 PolarHBondContact O-N 3.23Å
62L90Very high82.4Confident99 Ų9996.2 Ų96.252%0.51850%0.499SS..Hα-helixtrans-65.2-43.3172.1179.662.6000112K58 L59 A65 L66K58-L62 WeakPolarHBondContact O-CB 3.18Å; K58-L62 PolarHBondContact O-N 2.85Å; L59-L62 PolarHBondContact O-N 3.44Å; L62-A65 WeakPolarHBondContact O-CB 3.14Å; L62-A65 PolarHBondContact O-N 2.95Å; L62-L66 HydrophobicContact CD1-CD1 4.49Å; L62-L66 HydrophobicContact CD1-CG 4.47Å; L62-L66 HydrophobicContact CG-CD1 4.3Å; L62-L66 WeakPolarHBondContact O-CG 3.2Å; L62-L66 PolarHBondContact O-N 2.75Å
63A87.3Confident82.4Confident56 Ų5691.6 Ų91.646%0.46348%0.478SS..Hα-helixtrans-60.2-49.9175.500000111L59 S60 A65 L66 E67L59-A63 WeakPolarHBondContact O-CB 3.37Å; L59-A63 PolarHBondContact O-N 3.02Å; S60-A63 PolarHBondContact O-N 3.18Å; A63-A65 PolarHBondContact O-N 3.3Å; A63-L66 PolarHBondContact O-N 3.2Å; A63-L66 VanDerWaalsContact O-N 3.14Å; A63-E67 WeakPolarHBondContact O-CB 3.27Å; A63-E67 PolarHBondContact O-N 3.1Å
64K88.4Confident82.2Confident85 Ų8589 Ų8937%0.3745%0.454SS..Hα-helixtrans-62.9-27174.8-68161.7-179145.60112.9S60 R68S60-K64 WeakPolarHBondContact O-CB 3.47Å; S60-K64 WeakPolarHBondContact O-CD 3.23Å; S60-K64 VanDerWaalsContact O-CG 3.27Å; S60-K64 WeakPolarHBondContact O-CG 3.39Å; S60-K64 PolarHBondContact O-N 3.12Å; S60-K64 PolarHBondContact OG-NZ 2.86Å; K64-R68 VanDerWaalsContact O-CG 3.3Å; K64-R68 WeakPolarHBondContact O-CG 3.33Å; K64-R68 PolarHBondContact O-N 3.38Å; K64-R68 PolarHBondContact O-NH1 3.33Å
65A85.7Confident82Confident50 Ų5088 Ų8841%0.41344%0.443SS..Hα-helixtrans-75.9-38.7173.700000112.1D61 L62 A63 K69D61-A65 VanDerWaalsContact O-CB 3.28Å; D61-A65 WeakPolarHBondContact O-CB 3.47Å; D61-A65 PolarHBondContact O-N 3.23Å; L62-A65 WeakPolarHBondContact O-CB 3.14Å; L62-A65 PolarHBondContact O-N 2.95Å; A63-A65 PolarHBondContact O-N 3.3Å; A65-K69 VanDerWaalsContact O-CB 3.23Å; A65-K69 WeakPolarHBondContact O-CB 3.44Å; A65-K69 PolarHBondContact O-N 3.46Å
66L81.6Confident81.4Confident84 Ų8484.4 Ų84.444%0.4443%0.427SS..Hα-helixtrans-68-41174.2-70.5170.3000111.6L62 A63 K69 Y70L62-L66 HydrophobicContact CD1-CD1 4.49Å; L62-L66 HydrophobicContact CD1-CG 4.47Å; L62-L66 HydrophobicContact CG-CD1 4.3Å; L62-L66 WeakPolarHBondContact O-CG 3.2Å; L62-L66 PolarHBondContact O-N 2.75Å; A63-L66 PolarHBondContact O-N 3.2Å; A63-L66 VanDerWaalsContact O-N 3.14Å; L66-K69 PolarHBondContact O-N 3.37Å; L66-Y70 HydrophobicContact CD2-CD2 4.15Å; L66-Y70 HydrophobicContact CD2-CE2 3.92Å; L66-Y70 WeakPolarHBondContact O-CB 3.4Å; L66-Y70 PolarHBondContact O-N 2.73Å
67E78.2Confident80.7Confident131 Ų13182.5 Ų82.561%0.61242%0.416SS*.Hα-helixtrans-60.4-52.7175-176.2176.2-139.900111.7A63 K69 Y70 G71A63-E67 WeakPolarHBondContact O-CB 3.27Å; A63-E67 PolarHBondContact O-N 3.1Å; E67-K69 PolarHBondContact O-N 3.17Å; E67-K69 VanDerWaalsContact O-N 3.11Å; E67-Y70 PolarHBondContact O-N 3.38Å; E67-G71 WeakPolarHBondContact O-CA 3.37Å; E67-G71 PolarHBondContact O-N 2.85Å
68R78.5Confident79.7Confident194 Ų19478.7 Ų78.773%0.73240%0.403SS*.Hα-helixtrans-61.3-22.2175.3-70-177.4-160100.5-10.2114.1K64K64-R68 VanDerWaalsContact O-CG 3.3Å; K64-R68 WeakPolarHBondContact O-CG 3.33Å; K64-R68 PolarHBondContact O-N 3.38Å; K64-R68 PolarHBondContact O-NH1 3.33Å
69K79.8Confident78.3Confident128 Ų12877.3 Ų77.356%0.55741%0.409SS*.Hα-helixtrans-91.1-25.8-178.5-168.2-179.1-179.4-163.30113.3A65 L66 E67A65-K69 VanDerWaalsContact O-CB 3.23Å; A65-K69 WeakPolarHBondContact O-CB 3.44Å; A65-K69 PolarHBondContact O-N 3.46Å; L66-K69 PolarHBondContact O-N 3.37Å; E67-K69 PolarHBondContact O-N 3.17Å; E67-K69 VanDerWaalsContact O-N 3.11Å
70Y77.7Confident77.3Confident91 Ų9174.6 Ų74.636%0.35741%0.408SS..Hα-helixtrans-140.6-11.4-168.9-58.2-52.9000115.7L66 E67 M73L66-Y70 HydrophobicContact CD2-CD2 4.15Å; L66-Y70 HydrophobicContact CD2-CE2 3.92Å; L66-Y70 WeakPolarHBondContact O-CB 3.4Å; L66-Y70 PolarHBondContact O-N 2.73Å; E67-Y70 PolarHBondContact O-N 3.38Å; Y70-M73 HydrophobicContact CD1-SD 4.15Å; Y70-M73 WeakPolarHBondContact O-CB 3.3Å; Y70-M73 PolarHBondContact O-N 3.36Å; Y70-M73 VanDerWaalsContact O-N 3.14Å
71G69.6Low76.2Confident36 Ų3679.9 Ų79.937%0.37143%0.425SS..THydrogen-bonded Turntrans-63.2-51.5-175.100000112.8E67 M73E67-G71 WeakPolarHBondContact O-CA 3.37Å; E67-G71 PolarHBondContact O-N 2.85Å; G71-M73 PolarHBondContact O-N 3.41Å
72T72.7Confident75.3Confident52 Ų5281.2 Ų81.232%0.31943%0.428SS..THydrogen-bonded Turntrans-78.39.8174.460.50000113.4R86 I87 D88T72-R86 CarbonylContact O-C 3.51Å; T72-R86 VanDerWaalsContact O-CA 3.22Å; T72-R86 WeakPolarHBondContact O-CA 3.23Å; T72-I87 PolarHBondContact O-N 3.49Å; T72-D88 WeakPolarHBondContact CB-OD1 3.25Å; T72-D88 VanDerWaalsContact CB-OD2 3.29Å; T72-D88 WeakPolarHBondContact CB-OD2 3.41Å; T72-D88 VanDerWaalsContact CG2-OD1 3.25Å; T72-D88 WeakPolarHBondContact CG2-OD1 3.44Å; T72-D88 PolarHBondContact OG1-OD2 2.73Å
73M75.6Confident74.5Confident50 Ų5082.7 Ų82.725%0.24643%0.43CS..EExtended strand (participates in β ladder)trans-98.9104.7177.7-64.1-161.383.200113.2Y70 G71 R84 V85Y70-M73 HydrophobicContact CD1-SD 4.15Å; Y70-M73 WeakPolarHBondContact O-CB 3.3Å; Y70-M73 PolarHBondContact O-N 3.36Å; Y70-M73 VanDerWaalsContact O-N 3.14Å; G71-M73 PolarHBondContact O-N 3.41Å; M73-R84 HydrophobicContact CE-CB 4.01Å; M73-R84 PolarHBondContact SD-NH2 3.42Å; M73-V85 CarbonylContact C-O 3.47Å; M73-V85 WeakPolarHBondContact CA-O 3.39Å
74V72.7Confident74Confident20 Ų2086 Ų8612%0.12143%0.431CS..EExtended strand (participates in β ladder)trans-97.5155.1177.3-172.70000110.6R84 V85 I87 I142 E143V74-R84 WeakPolarHBondContact O-CA 3.5Å; V74-V85 PolarHBondContact N-O 3.11Å; V74-V85 PolarHBondContact O-N 3.23Å; V74-I87 HydrophobicContact CG2-CD1 3.72Å; V74-I87 HydrophobicContact CG2-CG1 3.63Å; V74-I142 HydrophobicContact CG1-CG2 3.43Å; V74-I142 VanDerWaalsContact CG1-CG2 3.43Å; V74-E143 WeakPolarHBondContact CG1-O 3.5Å
75T73.3Confident73.3Confident23 Ų2382.7 Ų82.714%0.14142%0.418CS..EExtended strand (participates in β ladder)trans-105.2109.6177.5-55.60000110.1H82 E143T75-H82 HydrophobicContact CG2-CB 4.44Å; T75-E143 PolarHBondContact N-O 2.73Å; T75-E143 WeakPolarHBondContact O-CA 3.35Å; T75-E143 VanDerWaalsContact O-CB 3.27Å; T75-E143 WeakPolarHBondContact O-CB 3.07Å; T75-E143 PolarHBondContact O-N 3.28Å
76M70.5Confident72.9Confident21 Ų2185.9 Ų85.910%0.10342%0.419CS..EExtended strand (participates in β ladder)trans-81.6135.5172.4-63-60.4-81.500109.9H82 K83 V85 P116 N117 I142M76-H82 WeakPolarHBondContact O-CA 3.4Å; M76-K83 PolarHBondContact N-O 2.87Å; M76-K83 PolarHBondContact O-N 2.88Å; M76-V85 HydrophobicContact CG-CG2 3.95Å; M76-P116 HydrophobicContact CE-CB 3.99Å; M76-P116 HydrophobicContact CE-CG 4.34Å; M76-N117 HydrophobicContact CE-CB 4.25Å; M76-I142 HydrophobicContact CE-CG1 4.06Å; M76-I142 HydrophobicContact SD-CB 4.31Å; M76-I142 HydrophobicContact SD-CG1 3.83Å; M76-I142 HydrophobicContact SD-CG2 4.31Å
77K71.8Confident72.6Confident100 Ų10085.6 Ų85.644%0.43542%0.417SS..EExtended strand (participates in β ladder)trans-118.7107.8167-169.4-175.3-173.4179.80109.8H82 K141K77-H82 WeakPolarHBondContact CE-NE2 3.49Å; K77-K141 PolarHBondContact N-O 2.86Å; K77-K141 VanDerWaalsContact N-O 3.15Å; K77-K141 PolarHBondContact O-N 3.49Å
78N64.7Low72.4Confident61 Ų6183 Ų8333%0.32641%0.407SS..EExtended strand (participates in β ladder)trans-126.8140.1171.3179.3-49.3000107.7G80 K81N78-G80 PolarHBondContact O-N 2.86Å; N78-K81 PolarHBondContact N-O 3.08Å; N78-K81 PolarHBondContact O-N 2.82Å
79S61Low72.4Confident94 Ų9477.2 Ų77.266%0.65739%0.391SS*.THydrogen-bonded Turntrans46.137.517649.50000115.2K81S79-K81 PolarHBondContact O-N 2.7Å
80G66Low72Confident57 Ų5773.8 Ų73.859%0.58838%0.376SS*.THydrogen-bonded Turntrans75.8-8.3-17900000115.6N78N78-G80 PolarHBondContact O-N 2.86Å
81K65.8Low71.8Confident159 Ų15974.9 Ų74.969%0.69139%0.388SS*.EExtended strand (participates in β ladder)trans-87.1130.9176.9-64.8169.4-174.3165.70109.7N78 S79N78-K81 PolarHBondContact N-O 3.08Å; N78-K81 PolarHBondContact O-N 2.82Å; S79-K81 PolarHBondContact O-N 2.7Å
82H70.3Confident71.9Confident114 Ų11476.5 Ų76.553%0.52839%0.388SS..EExtended strand (participates in β ladder)trans-96.6116.8173.1-72.8-101.4000109.5T75 M76 K77T75-H82 HydrophobicContact CG2-CB 4.44Å; M76-H82 WeakPolarHBondContact O-CA 3.4Å; K77-H82 WeakPolarHBondContact CE-NE2 3.49Å
83K74.4Confident71.6Confident131 Ų13179.5 Ų79.557%0.5741%0.408SS*.EExtended strand (participates in β ladder)trans-116.6124.2174.6-169.8-169.5174.6-170.10108.7M76 V85M76-K83 PolarHBondContact N-O 2.87Å; M76-K83 PolarHBondContact O-N 2.88Å; K83-V85 HydrophobicContact CB-CG2 4.4Å; K83-V85 HydrophobicContact CD-CG2 3.79Å; K83-V85 HydrophobicContact CG-CG2 3.9Å
84R75.6Confident71.4Confident126 Ų12678.9 Ų78.948%0.47542%0.415SS..EExtended strand (participates in β ladder)trans-80.9131.6165.8-61.5-173.770.3-160.23.4108.4M73 V74M73-R84 HydrophobicContact CE-CB 4.01Å; M73-R84 PolarHBondContact SD-NH2 3.42Å; V74-R84 WeakPolarHBondContact O-CA 3.5Å
85V73.3Confident71.4Confident14 Ų1484.7 Ų84.79%0.08545%0.445CS..EExtended strand (participates in β ladder)trans-136.6154.3178.2-147.80000109.5M73 V74 M76 K83 F90M73-V85 CarbonylContact C-O 3.47Å; M73-V85 WeakPolarHBondContact CA-O 3.39Å; V74-V85 PolarHBondContact N-O 3.11Å; V74-V85 PolarHBondContact O-N 3.23Å; M76-V85 HydrophobicContact CG-CG2 3.95Å; K83-V85 HydrophobicContact CB-CG2 4.4Å; K83-V85 HydrophobicContact CD-CG2 3.79Å; K83-V85 HydrophobicContact CG-CG2 3.9Å; V85-F90 HydrophobicContact CB-CE2 3.91Å; V85-F90 HydrophobicContact CB-CZ 4.48Å; V85-F90 HydrophobicContact CG1-CD2 4.5Å; V85-F90 HydrophobicContact CG1-CE2 3.41Å; V85-F90 VanDerWaalsContact CG1-CE2 3.41Å; V85-F90 HydrophobicContact CG1-CZ 3.68Å; V85-F90 HydrophobicContact CG2-CE2 4.47Å
86R78.3Confident71.3Confident117 Ų11787.3 Ų87.344%0.44248%0.477SS..EExtended strand (participates in β ladder)trans-84.5140.5173.5-169.6-171-71.8114.1-4.6108.9T72 D88 D89T72-R86 CarbonylContact O-C 3.51Å; T72-R86 VanDerWaalsContact O-CA 3.22Å; T72-R86 WeakPolarHBondContact O-CA 3.23Å; R86-D88 VanDerWaalsContact C-N 3.3Å; R86-D88 WeakPolarHBondContact CD-OD2 3.47Å; R86-D88 HydrophobicContact CG-CB 3.83Å; R86-D88 WeakPolarHBondContact CG-OD2 3.1Å; R86-D89 HydrophobicContact CB-CB 4.34Å; R86-D89 WeakPolarHBondContact CB-OD2 3.45Å; R86-D89 WeakPolarHBondContact CD-OD1 3.48Å; R86-D89 IonicContact CZ-OD1 3.7Å; R86-D89 IonicContact NH1-OD1 2.66Å; R86-D89 PolarHBondContact NH1-OD1 2.89Å; R86-D89 IonicContact NH1-OD2 3.36Å; R86-D89 PolarHBondContact NH1-OD2 3.5Å; R86-D89 PolarHBondContact O-N 2.95Å
87I74.6Confident71.5Confident78 Ų7893.9 Ų93.940%0.450%0.502SS..G310 helixtrans-62-45.7173.2-59.7168.1000109.1T72 V74 D89 F90 L91T72-I87 PolarHBondContact O-N 3.49Å; V74-I87 HydrophobicContact CG2-CD1 3.72Å; V74-I87 HydrophobicContact CG2-CG1 3.63Å; I87-D89 PolarHBondContact O-N 3.41Å; I87-F90 PolarHBondContact O-N 3.47Å; I87-L91 HydrophobicContact CG2-CD1 4.5Å; I87-L91 HydrophobicContact CG2-CG 4.42Å; I87-L91 PolarHBondContact O-N 3.44Å
88D74Confident71.7Confident76 Ų7693.8 Ų93.841%0.40651%0.506SS..G310 helixtrans-59.7-7.1177.9-22.4-39.8000114.5T72 R86T72-D88 WeakPolarHBondContact CB-OD1 3.25Å; T72-D88 VanDerWaalsContact CB-OD2 3.29Å; T72-D88 WeakPolarHBondContact CB-OD2 3.41Å; T72-D88 VanDerWaalsContact CG2-OD1 3.25Å; T72-D88 WeakPolarHBondContact CG2-OD1 3.44Å; T72-D88 PolarHBondContact OG1-OD2 2.73Å; R86-D88 VanDerWaalsContact C-N 3.3Å; R86-D88 WeakPolarHBondContact CD-OD2 3.47Å; R86-D88 HydrophobicContact CG-CB 3.83Å; R86-D88 WeakPolarHBondContact CG-OD2 3.1Å
89D77.9Confident72Confident73 Ų7395.6 Ų95.639%0.3952%0.519SS..G310 helixtrans-87.5-3.8171.2-63-13.6000112.6R86 I87R86-D89 HydrophobicContact CB-CB 4.34Å; R86-D89 WeakPolarHBondContact CB-OD2 3.45Å; R86-D89 WeakPolarHBondContact CD-OD1 3.48Å; R86-D89 IonicContact CZ-OD1 3.7Å; R86-D89 IonicContact NH1-OD1 2.66Å; R86-D89 PolarHBondContact NH1-OD1 2.89Å; R86-D89 IonicContact NH1-OD2 3.36Å; R86-D89 PolarHBondContact NH1-OD2 3.5Å; R86-D89 PolarHBondContact O-N 2.95Å; I87-D89 PolarHBondContact O-N 3.41Å
90F73Confident72.5Confident56 Ų5698.2 Ų98.225%0.24652%0.521CS..SBendtrans-132.49.2-179.1-55.5-67.2000113.7V85 I87 F113 A115 P116V85-F90 HydrophobicContact CB-CE2 3.91Å; V85-F90 HydrophobicContact CB-CZ 4.48Å; V85-F90 HydrophobicContact CG1-CD2 4.5Å; V85-F90 HydrophobicContact CG1-CE2 3.41Å; V85-F90 VanDerWaalsContact CG1-CE2 3.41Å; V85-F90 HydrophobicContact CG1-CZ 3.68Å; V85-F90 HydrophobicContact CG2-CE2 4.47Å; I87-F90 PolarHBondContact O-N 3.47Å; F90-F113 HydrophobicContact CD1-CB 4.49Å; F90-A115 HydrophobicContact CB-CB 4.27Å; F90-A115 HydrophobicContact CG-CB 4.36Å; F90-P116 HydrophobicContact CE1-CG 3.7Å; F90-P116 HydrophobicContact CE2-CG 3.79Å; F90-P116 HydrophobicContact CZ-CG 3.22Å
91L72Confident73.2Confident114 Ų11498.9 Ų98.960%0.59751%0.511SS*.SBendtrans-86.9129.6167.3-65.4175.9000107.7I87 P93I87-L91 HydrophobicContact CG2-CD1 4.5Å; I87-L91 HydrophobicContact CG2-CG 4.42Å; I87-L91 PolarHBondContact O-N 3.44Å; L91-P93 WeakPolarHBondContact O-CD 3.41Å
92D71.8Confident73.8Confident71 Ų7197.3 Ų97.338%0.3852%0.52SS..  trans-68.8121.5177-169.3-26000109.4G94 D95D92-G94 PolarHBondContact O-N 3.44Å; D92-G94 PolarHBondContact OD1-N 2.87Å; D92-D95 HydrophobicContact CB-CB 4.29Å; D92-D95 WeakPolarHBondContact O-CB 3.38Å; D92-D95 PolarHBondContact O-N 3Å
93P66.9Low73.9Confident114 Ų114100.9 Ų100.974%0.7454%0.535SS*.THydrogen-bonded Turntrans-68.1-12.1177.330.1-36.6000113.8L91 Y97L91-P93 WeakPolarHBondContact O-CD 3.41Å; P93-Y97 WeakPolarHBondContact O-CE2 3.41Å
94G70.8Confident73.7Confident38 Ų3897.5 Ų97.539%0.39252%0.522SS..THydrogen-bonded Turntrans-87.9-10.1172.100000114.7D92 G96 Y97D92-G94 PolarHBondContact O-N 3.44Å; D92-G94 PolarHBondContact OD1-N 2.87Å; G94-G96 PolarHBondContact O-N 3.48Å; G94-Y97 PolarHBondContact O-N 3.33Å
95D73.1Confident73.6Confident142 Ų14296.8 Ų96.876%0.75953%0.528SS*.THydrogen-bonded Turntrans-64.5127.5-177.8-171.420.2000111.7D92D92-D95 HydrophobicContact CB-CB 4.29Å; D92-D95 WeakPolarHBondContact O-CB 3.38Å; D92-D95 PolarHBondContact O-N 3Å
96G72.3Confident73.5Confident78 Ų78100.7 Ų100.780%0.80455%0.548SS*.THydrogen-bonded Turntrans84.74.4-17600000116.4G94G94-G96 PolarHBondContact O-N 3.48Å
97Y74.5Confident73.2Confident159 Ų159100 Ų10062%0.62456%0.561SS**  trans-78.4160.8163.7-76.4-87.9000111.6P93 G94 I104P93-Y97 WeakPolarHBondContact O-CE2 3.41Å; G94-Y97 PolarHBondContact O-N 3.33Å; Y97-I104 HydrophobicContact CD1-CD1 3.37Å; Y97-I104 HydrophobicContact CE1-CD1 4.1Å; Y97-I104 HydrophobicContact CG-CD1 3.9Å
98D74.8Confident73Confident98 Ų98103.7 Ų103.752%0.52458%0.577SS.*  trans-93.1121.6179.9-168.2-25.4000109.6Q100 D101D98-Q100 PolarHBondContact O-N 2.73Å; D98-Q100 WeakPolarHBondContact OD1-CB 3.14Å; D98-Q100 PolarHBondContact OD1-N 3.02Å; D98-D101 HydrophobicContact CB-CB 4.43Å; D98-D101 WeakPolarHBondContact O-CB 3.32Å; D98-D101 PolarHBondContact O-N 2.74Å
99T72.2Confident72.7Confident99 Ų99104.7 Ų104.761%0.60760%0.596SS**THydrogen-bonded Turntrans-68.6-1.8179.361.80000113.3D106T99-D106 WeakPolarHBondContact CB-OD2 3.37Å
100Q71.4Confident72.2Confident149 Ų149106.7 Ų106.770%0.69661%0.605SS**THydrogen-bonded Turntrans-105.81.8172.2-52-58.4-78.500112.8D98 S102D98-Q100 PolarHBondContact O-N 2.73Å; D98-Q100 WeakPolarHBondContact OD1-CB 3.14Å; D98-Q100 PolarHBondContact OD1-N 3.02Å; Q100-S102 PolarHBondContact O-N 3.03Å; Q100-S102 VanDerWaalsContact O-N 3.1Å
101D80.8Confident72.2Confident70 Ų70109.5 Ų109.537%0.37462%0.622SS.*  trans-68.4106.9175.6-173.6-6.2000110.4D98 F103 I104D98-D101 HydrophobicContact CB-CB 4.43Å; D98-D101 WeakPolarHBondContact O-CB 3.32Å; D98-D101 PolarHBondContact O-N 2.74Å; D101-F103 PolarHBondContact O-N 2.66Å; D101-F103 VanDerWaalsContact OD1-CB 3.31Å; D101-F103 WeakPolarHBondContact OD1-CB 3.13Å; D101-F103 PolarHBondContact OD1-N 3.26Å; D101-I104 HydrophobicContact CB-CB 4.5Å; D101-I104 HydrophobicContact CB-CD1 4.1Å; D101-I104 HydrophobicContact CB-CG1 4.19Å; D101-I104 PolarHBondContact O-N 3.48Å
102S76.9Confident72Confident127 Ų127108.1 Ų108.189%0.88862%0.619SS**THydrogen-bonded Turntrans-66.70.6-179.7-48.20000114.6Q100Q100-S102 PolarHBondContact O-N 3.03Å; Q100-S102 VanDerWaalsContact O-N 3.1Å
103F73.5Confident72Confident189 Ų189111.7 Ų111.783%0.82963%0.631SS**THydrogen-bonded Turntrans-88.5-13.5167.5-175.3-110.4000113.3D101D101-F103 PolarHBondContact O-N 2.66Å; D101-F103 VanDerWaalsContact OD1-CB 3.31Å; D101-F103 WeakPolarHBondContact OD1-CB 3.13Å; D101-F103 PolarHBondContact OD1-N 3.26Å
104I71.1Confident72Confident60 Ų60109.1 Ų109.131%0.30861%0.613SS.*SBendtrans-110.6125.3-177.3-56.9179.2000108.5Y97 D101 D106Y97-I104 HydrophobicContact CD1-CD1 3.37Å; Y97-I104 HydrophobicContact CE1-CD1 4.1Å; Y97-I104 HydrophobicContact CG-CD1 3.9Å; D101-I104 HydrophobicContact CB-CB 4.5Å; D101-I104 HydrophobicContact CB-CD1 4.1Å; D101-I104 HydrophobicContact CB-CG1 4.19Å; D101-I104 PolarHBondContact O-N 3.48Å; I104-D106 PolarHBondContact O-N 2.92Å
105D73.6Confident72Confident111 Ų111108.5 Ų108.559%0.59460%0.604SS**  trans-97.985.6-177.4-167.3-10.7000110.8S107 E108D105-S107 PolarHBondContact O-N 3.19Å; D105-S107 VanDerWaalsContact OD1-CB 3.23Å; D105-S107 WeakPolarHBondContact OD1-CB 3.41Å; D105-S107 PolarHBondContact OD1-N 2.86Å; D105-S107 PolarHBondContact OD1-OG 3.28Å; D105-E108 PolarHBondContact O-N 3.32Å
106D70.5Confident71.8Confident96 Ų96104.3 Ų104.351%0.51359%0.585SS.*THydrogen-bonded Turntrans-61.21174.1-79.74.8000113.6T99 I104T99-D106 WeakPolarHBondContact CB-OD2 3.37Å; I104-D106 PolarHBondContact O-N 2.92Å
107S71.2Confident71.7Confident101 Ų101101.4 Ų101.471%0.70655%0.551SS**THydrogen-bonded Turntrans-89.7-11.2173.682.20000114.7D105D105-S107 PolarHBondContact O-N 3.19Å; D105-S107 VanDerWaalsContact OD1-CB 3.23Å; D105-S107 WeakPolarHBondContact OD1-CB 3.41Å; D105-S107 PolarHBondContact OD1-N 2.86Å; D105-S107 PolarHBondContact OD1-OG 3.28Å
108E69.9Low71.6Confident157 Ų15797.1 Ų97.173%0.73454%0.538SS*.SBendtrans-79139.7170.6-171.9165.7-147.500111.5D105 I110D105-E108 PolarHBondContact O-N 3.32Å; E108-I110 PolarHBondContact O-N 3.1Å
109A67.9Low71.5Confident97 Ų9795.2 Ų95.280%0.80253%0.532SS*.  trans-78.3107.3-178.200000111.9
110I67.8Low71.5Confident114 Ų11491.2 Ų91.259%0.58551%0.508SS*.  trans-86127.3-179.1-56.1177.1000111.4E108 V112E108-I110 PolarHBondContact O-N 3.1Å; I110-V112 PolarHBondContact O-N 2.63Å
111D73.3Confident71.6Confident115 Ų11589.1 Ų89.162%0.61550%0.496SS*.  trans-72.189.1170.7-94-18.8000110.7F113D111-F113 WeakPolarHBondContact O-CD2 3.43Å; D111-F113 PolarHBondContact O-N 3.49Å
112V68.3Low70.9Confident85 Ų8595 Ų9552%0.51552%0.519SS..  trans-72.1114.8178.4-1790000111.4I110 V114I110-V112 PolarHBondContact O-N 2.63Å; V112-V114 PolarHBondContact O-N 2.88Å
113F71.1Confident70.6Confident147 Ų14790.3 Ų90.365%0.64549%0.491SS*.  trans-77.980.1179.2-74.6-81.7000112.8F90 D111 A115F90-F113 HydrophobicContact CD1-CB 4.49Å; D111-F113 WeakPolarHBondContact O-CD2 3.43Å; D111-F113 PolarHBondContact O-N 3.49Å; F113-A115 PolarHBondContact O-N 2.84Å
114V68.3Low70.5Confident60 Ų6084.6 Ų84.636%0.36449%0.485SS..  trans-55.6131.9174.7-174.60000111.4V112 I118 T120V112-V114 PolarHBondContact O-N 2.88Å; V114-I118 HydrophobicContact CG1-CB 3.67Å; V114-I118 HydrophobicContact CG1-CG2 3.68Å; V114-I118 VanDerWaalsContact CG1-O 3.28Å; V114-I118 WeakPolarHBondContact CG1-O 3.36Å; V114-T120 HydrophobicContact CG2-CG2 4.48Å
115A69Low70.4Confident24 Ų2493 Ų9320%0.19851%0.514CS..  trans-63.3147.8-17900000112.2F90 F113 N117 I118F90-A115 HydrophobicContact CB-CB 4.27Å; F90-A115 HydrophobicContact CG-CB 4.36Å; F113-A115 PolarHBondContact O-N 2.84Å; A115-N117 WeakPolarHBondContact CB-OD1 3.22Å; A115-N117 PolarHBondContact O-N 3.05Å; A115-I118 PolarHBondContact O-N 3.25Å; A115-I118 VanDerWaalsContact O-O 3.07Å
116P68.8Low70.1Confident55 Ų5592.1 Ų92.136%0.35751%0.506SS..THydrogen-bonded Turntrans-75.42.6-167.2-1531000116M76 F90M76-P116 HydrophobicContact CE-CB 3.99Å; M76-P116 HydrophobicContact CE-CG 4.34Å; F90-P116 HydrophobicContact CE1-CG 3.7Å; F90-P116 HydrophobicContact CE2-CG 3.79Å; F90-P116 HydrophobicContact CZ-CG 3.22Å
117N70.8Confident70.1Confident17 Ų1794.7 Ų94.79%0.09152%0.524CS..THydrogen-bonded Turntrans-95.6-7.2166.356.7-55.5000112.4M76 A115 E136 D137 A140M76-N117 HydrophobicContact CE-CB 4.25Å; A115-N117 WeakPolarHBondContact CB-OD1 3.22Å; A115-N117 PolarHBondContact O-N 3.05Å; N117-E136 HydrophobicContact CB-CG 4.44Å; N117-E136 PolarHBondContact ND2-OE1 2.9Å; N117-E136 CarbonylContact O-C 3.47Å; N117-E136 WeakPolarHBondContact O-CA 3.46Å; N117-E136 WeakPolarHBondContact O-CG 3.25Å; N117-D137 PolarHBondContact O-N 2.89Å; N117-A140 HydrophobicContact CB-CB 3.87Å
118I72.6Confident70Confident68 Ų6895 Ų9535%0.34951%0.514SS..EExtended strand (participates in β ladder)trans-115.5130.6-179.8-56.8174.2000108.2V114 A115 L135V114-I118 HydrophobicContact CG1-CB 3.67Å; V114-I118 HydrophobicContact CG1-CG2 3.68Å; V114-I118 VanDerWaalsContact CG1-O 3.28Å; V114-I118 WeakPolarHBondContact CG1-O 3.36Å; A115-I118 PolarHBondContact O-N 3.25Å; A115-I118 VanDerWaalsContact O-O 3.07Å; I118-L135 WeakPolarHBondContact CA-O 3.46Å
119S71.8Confident69.9Low58 Ų5896.7 Ų96.741%0.40652%0.522SS..EExtended strand (participates in β ladder)trans-116.4146.9166.4177.40000108.2L135S119-L135 PolarHBondContact N-O 2.95Å; S119-L135 PolarHBondContact O-N 3.15Å
120T74Confident69.9Low15 Ų1595 Ų959%0.09251%0.514CS..EExtended strand (participates in β ladder)trans-70.2154.8171.1630000110.6V114 F122 G123 F126 V132V114-T120 HydrophobicContact CG2-CG2 4.48Å; T120-F122 PolarHBondContact O-N 3.09Å; T120-G123 PolarHBondContact O-N 3.48Å; T120-F126 HydrophobicContact CG2-CD1 4.08Å; T120-F126 HydrophobicContact CG2-CE1 3.31Å; T120-F126 HydrophobicContact CG2-CZ 3.63Å; T120-V132 HydrophobicContact CG2-CG1 3.62Å
121K72.3Confident69.9Low106 Ų10697.4 Ų97.446%0.46153%0.526SS..THydrogen-bonded Turntrans-46.8-33.8-170.9-165.9179.9-160160.80115.9E133K121-E133 VanDerWaalsContact CD-OE2 3.26Å; K121-E133 WeakPolarHBondContact CD-OE2 3.46Å; K121-E133 VanDerWaalsContact CE-OE2 3.24Å; K121-E133 WeakPolarHBondContact CE-OE2 3.22Å; K121-E133 PolarHBondContact N-O 3.32Å; K121-E133 IonicContact NZ-OE1 3.66Å; K121-E133 IonicContact NZ-OE2 2.64Å; K121-E133 PolarHBondContact NZ-OE2 2.68Å
122F67.5Low69.5Low194 Ų19494.8 Ų94.885%0.85152%0.515SS*.THydrogen-bonded Turntrans-109.6-6.9-178.9-56.6-72.5000113.7T120T120-F122 PolarHBondContact O-N 3.09Å
123G69Low69.6Low28 Ų2896.5 Ų96.529%0.28952%0.517SS..  trans69.6172.3-175.200000114.5T120T120-G123 PolarHBondContact O-N 3.48Å
124G71.7Confident69.4Low69 Ų6991.6 Ų91.671%0.71151%0.508SS*.SBendtrans71.4-160.517900000114.1
125Y68.7Low69.5Low236 Ų23693.5 Ų93.593%0.92552%0.516SS*.  trans-88.9138.2172.6-55.7-85.6000109.5
126F68.4Low69.4Low93 Ų9398.6 Ų98.641%0.40854%0.535SS..  trans-147.6154.2-178.667.8-71.1000107.3T120 H128 V132T120-F126 HydrophobicContact CG2-CD1 4.08Å; T120-F126 HydrophobicContact CG2-CE1 3.31Å; T120-F126 HydrophobicContact CG2-CZ 3.63Å; F126-H128 HydrophobicContact CD2-CB 3.91Å; F126-H128 HydrophobicContact CE2-CB 3.72Å; F126-V132 HydrophobicContact CE2-CB 4.47Å; F126-V132 HydrophobicContact CE2-CG1 3.79Å; F126-V132 HydrophobicContact CE2-CG2 3.82Å; F126-V132 HydrophobicContact CZ-CB 4.4Å; F126-V132 HydrophobicContact CZ-CG1 3.54Å; F126-V132 HydrophobicContact CZ-CG2 3.88Å
127V70.3Confident69.2Low150 Ų15099.1 Ų99.191%0.90954%0.535SS*.  trans-112.1131.6172.8-178.70000107.2
128H67.9Low68.8Low107 Ų107107.4 Ų107.450%0.49557%0.573SS.*  trans-143147.1-178.2-178.863.8000109.9F126 G130 I131F126-H128 HydrophobicContact CD2-CB 3.91Å; F126-H128 HydrophobicContact CE2-CB 3.72Å; H128-G130 PolarHBondContact CD2-O 3.15Å; H128-G130 VanDerWaalsContact CD2-O 3.29Å; H128-I131 PolarHBondContact NE2-O 3.03Å
129Q68.3Low68.3Low193 Ų193107.6 Ų107.690%0.90258%0.581SS**SBendtrans-113.6112.2172.7-175.2-179.614.900107.4
130G68.8Low67.8Low61 Ų61105.1 Ų105.163%0.62956%0.564SS**SBendtrans118.1-165.4-173.500000113.4H128H128-G130 PolarHBondContact CD2-O 3.15Å; H128-G130 VanDerWaalsContact CD2-O 3.29Å
131I66.4Low67.4Low164 Ų164112.1 Ų112.184%0.84159%0.593SS**  trans-81.2121.9-175.1-57.8175.2000110.3H128H128-I131 PolarHBondContact NE2-O 3.03Å
132V66.3Low67Low61 Ų61111.2 Ų111.237%0.3759%0.592SS.*  trans-75123.5-176.8179.30000112T120 F126 G134T120-V132 HydrophobicContact CG2-CG1 3.62Å; F126-V132 HydrophobicContact CE2-CB 4.47Å; F126-V132 HydrophobicContact CE2-CG1 3.79Å; F126-V132 HydrophobicContact CE2-CG2 3.82Å; F126-V132 HydrophobicContact CZ-CB 4.4Å; F126-V132 HydrophobicContact CZ-CG1 3.54Å; F126-V132 HydrophobicContact CZ-CG2 3.88Å; V132-G134 PolarHBondContact O-N 2.92Å; V132-G134 VanDerWaalsContact O-N 3.12Å
133E69.1Low66.9Low120 Ų120105.2 Ų105.256%0.56157%0.567SS**  trans-69.3104.6168.6-72.9-171.9-166.500111.9K121K121-E133 VanDerWaalsContact CD-OE2 3.26Å; K121-E133 WeakPolarHBondContact CD-OE2 3.46Å; K121-E133 VanDerWaalsContact CE-OE2 3.24Å; K121-E133 WeakPolarHBondContact CE-OE2 3.22Å; K121-E133 PolarHBondContact N-O 3.32Å; K121-E133 IonicContact NZ-OE1 3.66Å; K121-E133 IonicContact NZ-OE2 2.64Å; K121-E133 PolarHBondContact NZ-OE2 2.68Å
134G68Low66.4Low44 Ų44106.2 Ų106.245%0.45457%0.572SS.*EExtended strand (participates in β ladder)trans-89.8132.1169.700000112.9V132V132-G134 PolarHBondContact O-N 2.92Å; V132-G134 VanDerWaalsContact O-N 3.12Å
135L68.9Low65.8Low101 Ų101104.6 Ų104.653%0.52955%0.549SS..EExtended strand (participates in β ladder)trans-94.1125.3164.9-64.6176.6000109.2I118 S119 D137I118-L135 WeakPolarHBondContact CA-O 3.46Å; S119-L135 PolarHBondContact N-O 2.95Å; S119-L135 PolarHBondContact O-N 3.15Å; L135-D137 PolarHBondContact O-N 3.38Å
136E67Low65Low130 Ų130103 Ų10361%0.60754%0.542SS*.EExtended strand (participates in β ladder)trans-81.3116.2174.7-165172.6-158.600111.3N117 Q138N117-E136 HydrophobicContact CB-CG 4.44Å; N117-E136 PolarHBondContact ND2-OE1 2.9Å; N117-E136 CarbonylContact O-C 3.47Å; N117-E136 WeakPolarHBondContact O-CA 3.46Å; N117-E136 WeakPolarHBondContact O-CG 3.25Å; E136-Q138 PolarHBondContact O-N 3.02Å; E136-Q138 VanDerWaalsContact O-N 3.14Å
137D65.4Low64.4Low67 Ų67102.3 Ų102.336%0.35855%0.548SS..  trans-74.895.6173.51790.5000110N117 L135 S139 A140N117-D137 PolarHBondContact O-N 2.89Å; L135-D137 PolarHBondContact O-N 3.38Å; D137-S139 PolarHBondContact O-N 3.15Å; D137-S139 WeakPolarHBondContact OD1-CB 3.4Å; D137-S139 PolarHBondContact OD1-N 3.16Å; D137-S139 PolarHBondContact OD1-OG 3.41Å; D137-S139 PolarHBondContact OD2-OG 3.47Å; D137-S139 VanDerWaalsContact OD2-OG 3.09Å; D137-A140 WeakPolarHBondContact O-CB 3.49Å; D137-A140 PolarHBondContact O-N 2.93Å
138Q62.4Low63.7Low191 Ų19197.2 Ų97.289%0.89352%0.522SS*.THydrogen-bonded Turntrans-57.3-11.5178.4-58.7-17814.400114.3E136 A140E136-Q138 PolarHBondContact O-N 3.02Å; E136-Q138 VanDerWaalsContact O-N 3.14Å; Q138-A140 VanDerWaalsContact C-N 3.34Å
139S62.4Low62.9Low72 Ų7296.2 Ų96.250%0.50351%0.514SS..THydrogen-bonded Turntrans-75.8-20173.582.30000113.6D137 K141D137-S139 PolarHBondContact O-N 3.15Å; D137-S139 WeakPolarHBondContact OD1-CB 3.4Å; D137-S139 PolarHBondContact OD1-N 3.16Å; D137-S139 PolarHBondContact OD1-OG 3.41Å; D137-S139 PolarHBondContact OD2-OG 3.47Å; D137-S139 VanDerWaalsContact OD2-OG 3.09Å; S139-K141 PolarHBondContact O-N 3Å; S139-K141 VanDerWaalsContact O-N 3.14Å
140A61.1Low62Low6 Ų692.5 Ų92.55%0.0550%0.499CS..  trans-86.774.6-17500000112.5N117 D137 Q138 I142N117-A140 HydrophobicContact CB-CB 3.87Å; D137-A140 WeakPolarHBondContact O-CB 3.49Å; D137-A140 PolarHBondContact O-N 2.93Å; Q138-A140 VanDerWaalsContact C-N 3.34Å; A140-I142 PolarHBondContact O-N 2.84Å; A140-I142 VanDerWaalsContact O-N 3.1Å
141K65.1Low61.1Low161 Ų16196.7 Ų96.770%0.751%0.506SS*.EExtended strand (participates in β ladder)trans-69.4112.7-177.6-167.7159.2-171.8162.30112.4K77 S139 E143K77-K141 PolarHBondContact N-O 2.86Å; K77-K141 VanDerWaalsContact N-O 3.15Å; K77-K141 PolarHBondContact O-N 3.49Å; S139-K141 PolarHBondContact O-N 3Å; S139-K141 VanDerWaalsContact O-N 3.14Å; K141-E143 PolarHBondContact O-N 3.31Å
142I63.7Low60.4Low87 Ų8794.1 Ų94.145%0.44650%0.499SS..EExtended strand (participates in β ladder)trans-70.5119.2169.5-50.9-172.1000108.8V74 M76 A140V74-I142 HydrophobicContact CG1-CG2 3.43Å; V74-I142 VanDerWaalsContact CG1-CG2 3.43Å; M76-I142 HydrophobicContact CE-CG1 4.06Å; M76-I142 HydrophobicContact SD-CB 4.31Å; M76-I142 HydrophobicContact SD-CG1 3.83Å; M76-I142 HydrophobicContact SD-CG2 4.31Å; A140-I142 PolarHBondContact O-N 2.84Å; A140-I142 VanDerWaalsContact O-N 3.1Å
143E65.5Low59.1Low68 Ų6895.8 Ų95.832%0.31851%0.505SS..EExtended strand (participates in β ladder)trans-109.4113-178.8-154.3-167.6-149.700111.2V74 T75 K141 R149V74-E143 WeakPolarHBondContact CG1-O 3.5Å; T75-E143 PolarHBondContact N-O 2.73Å; T75-E143 WeakPolarHBondContact O-CA 3.35Å; T75-E143 VanDerWaalsContact O-CB 3.27Å; T75-E143 WeakPolarHBondContact O-CB 3.07Å; T75-E143 PolarHBondContact O-N 3.28Å; K141-E143 PolarHBondContact O-N 3.31Å; E143-R149 IonicContact OE1-CZ 2.68Å; E143-R149 IonicContact OE1-NH1 3.12Å; E143-R149 PolarHBondContact OE1-NH1 2.93Å; E143-R149 IonicContact OE1-NH2 3.16Å; E143-R149 IonicContact OE2-CZ 3.98Å; E143-R149 IonicContact OE2-NH1 3.57Å; E143-R149 PolarHBondContact OE2-NH1 3.21Å; E143-R149 IonicContact OE2-NH2 3.09Å; E143-R149 PolarHBondContact OE2-NH2 2.96Å
144A60.1Low58Low49 Ų4995.7 Ų95.741%0.40551%0.513SS..  trans-52.7150.9-174.900000113.5A148 R149A144-A148 HydrophobicContact CB-CB 4.39Å; A144-R149 VanDerWaalsContact O-CZ 3.31Å; A144-R149 PolarHBondContact O-NE 3.27Å; A144-R149 PolarHBondContact O-NH2 3.27Å
145P57.9Low57.1Low36 Ų36100.8 Ų100.823%0.23453%0.53CS..  trans-49.8148.3179.3-29.436.4000113.8S147 A148P145-S147 PolarHBondContact O-N 3.42Å; P145-S147 VanDerWaalsContact O-N 3.09Å; P145-A148 PolarHBondContact O-N 3.47Å
146W52.4Low55.9Low201 Ų20197.6 Ų97.676%0.76152%0.516SS*.Hα-helixtrans-53.5-32.9-176.4168.5-80.4000113.5R149 I150W146-R149 PolarHBondContact O-N 3.06Å; W146-I150 PolarHBondContact O-N 3.01Å
147S55.6Low55Low79 Ų7995.7 Ų95.755%0.55252%0.517SS*.Hα-helixtrans-57.4-49.6174.941.90000112.8P145 R149 I150P145-S147 PolarHBondContact O-N 3.42Å; P145-S147 VanDerWaalsContact O-N 3.09Å; S147-R149 PolarHBondContact O-N 3.08Å; S147-I150 PolarHBondContact O-N 3.1Å; S147-I150 VanDerWaalsContact O-N 3.14Å
148A54.6Low54.4Low43 Ų4398.9 Ų98.936%0.35553%0.53SS..Hα-helixtrans-62.8-30.9179.600000112.4A144 P145 I150 T152A144-A148 HydrophobicContact CB-CB 4.39Å; P145-A148 PolarHBondContact O-N 3.47Å; A148-I150 VanDerWaalsContact C-N 3.33Å; A148-I150 PolarHBondContact O-N 3.37Å; A148-T152 WeakPolarHBondContact O-CG2 3.5Å; A148-T152 PolarHBondContact O-N 3.45Å; A148-T152 PolarHBondContact O-OG1 2.96Å
149R51.2Low53.9Low87 Ų8794.1 Ų94.133%0.32851%0.511SS..Hα-helixtrans-76.3-12.2177.7-80.5-178-85.6175.5-18.2115.1E143 A144 W146 S147E143-R149 IonicContact OE1-CZ 2.68Å; E143-R149 IonicContact OE1-NH1 3.12Å; E143-R149 PolarHBondContact OE1-NH1 2.93Å; E143-R149 IonicContact OE1-NH2 3.16Å; E143-R149 IonicContact OE2-CZ 3.98Å; E143-R149 IonicContact OE2-NH1 3.57Å; E143-R149 PolarHBondContact OE2-NH1 3.21Å; E143-R149 IonicContact OE2-NH2 3.09Å; E143-R149 PolarHBondContact OE2-NH2 2.96Å; A144-R149 VanDerWaalsContact O-CZ 3.31Å; A144-R149 PolarHBondContact O-NE 3.27Å; A144-R149 PolarHBondContact O-NH2 3.27Å; W146-R149 PolarHBondContact O-N 3.06Å; S147-R149 PolarHBondContact O-N 3.08Å
150I51.1Low53.5Low114 Ų11495.7 Ų95.759%0.58552%0.517SS*.Hα-helixtrans-83.6-42.1171.1-71.5-179.9000110.7W146 S147 A148 T152W146-I150 PolarHBondContact O-N 3.01Å; S147-I150 PolarHBondContact O-N 3.1Å; S147-I150 VanDerWaalsContact O-N 3.14Å; A148-I150 VanDerWaalsContact C-N 3.33Å; A148-I150 PolarHBondContact O-N 3.37Å; I150-T152 VanDerWaalsContact C-N 3.33Å; I150-T152 PolarHBondContact O-N 3.3Å
151L49.5Very low53.2Low150 Ų150100.4 Ų100.479%0.78554%0.54SS*.Hα-helixtrans-73.9-20.6-176.4-66.8170.3000114.1
152T51Low52.7Low110 Ų110100.6 Ų100.668%0.67554%0.536SS*.THydrogen-bonded Turntrans-100.82.5-171.547.90000115A148 I150A148-T152 WeakPolarHBondContact O-CG2 3.5Å; A148-T152 PolarHBondContact O-N 3.45Å; A148-T152 PolarHBondContact O-OG1 2.96Å; I150-T152 VanDerWaalsContact C-N 3.33Å; I150-T152 PolarHBondContact O-N 3.3Å
153N39.5Very low52.5Low95 Ų95104.6 Ų104.651%0.50855%0.55SS.*  trans-117.760.7-172.2-166.67.8000113.7N155N153-N155 PolarHBondContact O-N 3.41Å
154T45.6Very low52.5Low118 Ų118109 Ų10972%0.72457%0.569SS**THydrogen-bonded Turntrans-67-15.6174.8450000113.9S156T154-S156 PolarHBondContact O-N 3.37Å
155N49.9Very low53Low151 Ų151111.8 Ų111.881%0.80758%0.577SS**THydrogen-bonded Turntrans-95.324.8-171.5-69.3-27.8000115N153N153-N155 PolarHBondContact O-N 3.41Å
156S42.9Very low53.7Low34 Ų34116.1 Ų116.124%0.23859%0.592CS.*  trans-120.430.4-171.8-135.40000116.8T154 Q158 N159T154-S156 PolarHBondContact O-N 3.37Å; S156-Q158 PolarHBondContact O-N 3.3Å; S156-N159 PolarHBondContact O-N 2.98Å; S156-N159 PolarHBondContact OG-ND2 2.89Å
157S47.1Very low54.8Low90 Ų90109.8 Ų109.863%0.62958%0.578SS**Hα-helixtrans-51.5-33.4-179.1-49.60000114.5N159S157-N159 VanDerWaalsContact C-N 3.34Å; S157-N159 PolarHBondContact O-N 2.95Å
158Q54.5Low56.1Low135 Ų135112.4 Ų112.463%0.63158%0.58SS**Hα-helixtrans-65.1-30.4177.1-72.4-160.61.800114.3S156 R162S156-Q158 PolarHBondContact O-N 3.3Å; Q158-R162 PolarHBondContact O-N 3.31Å
159N51.3Low57.4Low91 Ų91114.5 Ų114.549%0.48758%0.582SS.*Hα-helixtrans-75.1-29.8-177.4-82.8-47.1000112.8S156 S157 K163S156-N159 PolarHBondContact O-N 2.98Å; S156-N159 PolarHBondContact OG-ND2 2.89Å; S157-N159 VanDerWaalsContact C-N 3.34Å; S157-N159 PolarHBondContact O-N 2.95Å; N159-K163 PolarHBondContact O-N 3.22Å
160V52.8Low58.8Low105 Ų105115.6 Ų115.664%0.63659%0.594SS**Hα-helixtrans-66.3-43.7176.2-174.50000110.5R162 K163 K164V160-R162 PolarHBondContact O-N 3.14Å; V160-K163 PolarHBondContact O-N 3.26Å; V160-K164 PolarHBondContact O-N 3.28Å
161I55.1Low60.4Low104 Ų104115.2 Ų115.253%0.53359%0.593SS.*Hα-helixtrans-59.2-46.2178.1-61.1169.8000110.8K163 K164 N165I161-K163 VanDerWaalsContact C-N 3.34Å; I161-K163 PolarHBondContact O-N 3.13Å; I161-K164 PolarHBondContact O-N 3.03Å; I161-N165 PolarHBondContact O-N 2.86Å; I161-N165 VanDerWaalsContact O-N 3.17Å
162R55.5Low62Low166 Ų166112.5 Ų112.563%0.62658%0.579SS**Hα-helixtrans-61.8-37.4178.5-67.7178.1-173.7-178.64.3112.6Q158 V160 K166Q158-R162 PolarHBondContact O-N 3.31Å; V160-R162 PolarHBondContact O-N 3.14Å; R162-K166 PolarHBondContact O-N 3.33Å
163K59.3Low63.6Low170 Ų170113.2 Ų113.274%0.73957%0.572SS**Hα-helixtrans-68.5-42.9173.7-86.9-174.5173.31800112.8N159 V160 I161 N165 K166 S167N159-K163 PolarHBondContact O-N 3.22Å; V160-K163 PolarHBondContact O-N 3.26Å; I161-K163 VanDerWaalsContact C-N 3.34Å; I161-K163 PolarHBondContact O-N 3.13Å; K163-N165 PolarHBondContact O-N 3.14Å; K163-K166 PolarHBondContact O-N 3.33Å; K163-S167 PolarHBondContact O-N 3.19Å; K163-S167 VanDerWaalsContact O-N 3.14Å
164K64.8Low65.5Low162 Ų162111 Ų11170%0.70457%0.568SS**Hα-helixtrans-60.8-43.6-178.9-165.5171.7-176.6176.70111.8V160 I161 K166 S167 K168V160-K164 PolarHBondContact O-N 3.28Å; I161-K164 PolarHBondContact O-N 3.03Å; K164-K166 PolarHBondContact O-N 3.33Å; K164-S167 PolarHBondContact O-N 3.36Å; K164-K168 PolarHBondContact O-N 2.71Å; K164-K168 VanDerWaalsContact O-N 3.14Å
165N70.7Confident67.3Low107 Ų107109.4 Ų109.457%0.57256%0.558SS**Hα-helixtrans-64.4-40.9177.1-71.4-1.2000112.7I161 K163 S167 K168 E169I161-N165 PolarHBondContact O-N 2.86Å; I161-N165 VanDerWaalsContact O-N 3.17Å; K163-N165 PolarHBondContact O-N 3.14Å; N165-S167 VanDerWaalsContact C-N 3.31Å; N165-S167 PolarHBondContact O-N 3.47Å; N165-K168 PolarHBondContact O-N 3.05Å; N165-E169 PolarHBondContact O-N 2.8Å
166K74Confident68.9Low126 Ų126110 Ų11055%0.54855%0.553SS.*Hα-helixtrans-63.8-35.9178.6-155.276.3-179.6164.70112.6R162 K163 K164 E169 L170R162-K166 PolarHBondContact O-N 3.33Å; K163-K166 PolarHBondContact O-N 3.33Å; K164-K166 PolarHBondContact O-N 3.33Å; K166-E169 IonicContact NZ-OE2 2.83Å; K166-L170 WeakPolarHBondContact O-CG 3.45Å; K166-L170 PolarHBondContact O-N 3.06Å
167S75.6Confident70.4Confident69 Ų69118.4 Ų118.448%0.48358%0.579SS.*Hα-helixtrans-68.6-43.7175.1-178.40000111.8K163 K164 N165 L170 L171K163-S167 PolarHBondContact O-N 3.19Å; K163-S167 VanDerWaalsContact O-N 3.14Å; K164-S167 PolarHBondContact O-N 3.36Å; N165-S167 VanDerWaalsContact C-N 3.31Å; N165-S167 PolarHBondContact O-N 3.47Å; S167-L170 PolarHBondContact O-N 3.12Å; S167-L171 PolarHBondContact O-N 3.03Å
168K82.9Confident71.6Confident134 Ų134121.1 Ų121.158%0.58359%0.586SS**Hα-helixtrans-61.9-45.2174.9-168.8-176175.1-173.70112K164 N165 L170 L171 D172K164-K168 PolarHBondContact O-N 2.71Å; K164-K168 VanDerWaalsContact O-N 3.14Å; N165-K168 PolarHBondContact O-N 3.05Å; K168-L170 VanDerWaalsContact C-N 3.29Å; K168-L170 PolarHBondContact O-N 2.81Å; K168-L171 PolarHBondContact O-N 3.31Å; K168-L171 VanDerWaalsContact O-N 3.13Å; K168-D172 WeakPolarHBondContact CE-OD2 3.23Å; K168-D172 PolarHBondContact O-N 3.32Å
169E80.8Confident72.4Confident87 Ų87118.9 Ų118.941%0.40759%0.586SS.*Hα-helixtrans-56.9-41.8177.6-164.3-150.9145.700111.7N165 K166 K173N165-E169 PolarHBondContact O-N 2.8Å; K166-E169 IonicContact NZ-OE2 2.83Å; E169-K173 WeakPolarHBondContact O-CB 3.33Å; E169-K173 PolarHBondContact O-N 3.27Å; E169-K173 VanDerWaalsContact O-N 3.09Å; E169-K173 IonicContact OE1-NZ 2.66Å; E169-K173 PolarHBondContact OE1-NZ 3.47Å
170L81.8Confident72.9Confident110 Ų110119 Ų11958%0.57659%0.589SS**Hα-helixtrans-70-36.4177.3-72.9171.9000112.8K166 S167 K168 A174K166-L170 WeakPolarHBondContact O-CG 3.45Å; K166-L170 PolarHBondContact O-N 3.06Å; S167-L170 PolarHBondContact O-N 3.12Å; K168-L170 VanDerWaalsContact C-N 3.29Å; K168-L170 PolarHBondContact O-N 2.81Å; L170-A174 WeakPolarHBondContact O-CB 3.36Å; L170-A174 PolarHBondContact O-N 2.95Å
171L82.7Confident72.7Confident106 Ų106119.7 Ų119.756%0.55560%0.596SS**Hα-helixtrans-67.2-49.9175-77.1166000111.8S167 K168 K173 A174 V175S167-L171 PolarHBondContact O-N 3.03Å; K168-L171 PolarHBondContact O-N 3.31Å; K168-L171 VanDerWaalsContact O-N 3.13Å; L171-K173 PolarHBondContact O-N 3.33Å; L171-A174 PolarHBondContact O-N 2.85Å; L171-V175 WeakPolarHBondContact O-CG2 3.29Å; L171-V175 PolarHBondContact O-N 2.68Å
172D83.6Confident72.3Confident92 Ų92122.2 Ų122.249%0.49261%0.611SS.*Hα-helixtrans-58.3-37.1176.6-73.1-28.8000111.1K168 K176K168-D172 WeakPolarHBondContact CE-OD2 3.23Å; K168-D172 PolarHBondContact O-N 3.32Å; D172-K176 VanDerWaalsContact O-CB 3.23Å; D172-K176 WeakPolarHBondContact O-CB 3.47Å; D172-K176 PolarHBondContact O-N 2.99Å
173K85Confident71.6Confident125 Ų125118.9 Ų118.954%0.54362%0.619SS.*Hα-helixtrans-74.6-25.8177.7-159171.7-152.5157.60113.4E169 L171 R177E169-K173 WeakPolarHBondContact O-CB 3.33Å; E169-K173 PolarHBondContact O-N 3.27Å; E169-K173 VanDerWaalsContact O-N 3.09Å; E169-K173 IonicContact OE1-NZ 2.66Å; E169-K173 PolarHBondContact OE1-NZ 3.47Å; L171-K173 PolarHBondContact O-N 3.33Å; K173-R177 WeakPolarHBondContact O-CG 3.26Å; K173-R177 PolarHBondContact O-N 3.24Å
174A79Confident70.7Confident49 Ų49119.9 Ų119.941%0.40562%0.623SS.*Hα-helixtrans-78.2-45.8171.100000111.6L170 L171 K176 R177 L178L170-A174 WeakPolarHBondContact O-CB 3.36Å; L170-A174 PolarHBondContact O-N 2.95Å; L171-A174 PolarHBondContact O-N 2.85Å; A174-K176 PolarHBondContact O-N 3.13Å; A174-R177 WeakPolarHBondContact O-CA 3.38Å; A174-R177 WeakPolarHBondContact O-CB 3.43Å; A174-R177 PolarHBondContact O-N 2.92Å; A174-L178 PolarHBondContact O-N 2.95Å
175V83.4Confident69.9Low85 Ų85121 Ų12152%0.51563%0.628SS.*Hα-helixtrans-58.2-48174.6173.50000110.2L171 R177 L178 S179L171-V175 WeakPolarHBondContact O-CG2 3.29Å; L171-V175 PolarHBondContact O-N 2.68Å; V175-R177 PolarHBondContact O-N 3.23Å; V175-R177 VanDerWaalsContact O-N 3.12Å; V175-L178 PolarHBondContact O-N 2.97Å; V175-S179 PolarHBondContact O-N 3.17Å; V175-S179 PolarHBondContact O-OG 3.32Å; V175-S179 VanDerWaalsContact O-OG 3.11Å
176K83.7Confident68.4Low164 Ų164121.8 Ų121.871%0.71364%0.639SS**Hα-helixtrans-65.2-14.9176.5-166.3164.1-174.3169.60114.3D172 A174D172-K176 VanDerWaalsContact O-CB 3.23Å; D172-K176 WeakPolarHBondContact O-CB 3.47Å; D172-K176 PolarHBondContact O-N 2.99Å; A174-K176 PolarHBondContact O-N 3.13Å
177R74.6Confident66.7Low209 Ų209125.6 Ų125.679%0.78966%0.656SS**Hα-helixtrans-87.2-17.2170.3-78.9-79.8178.6161-3.1113.5K173 A174 V175K173-R177 WeakPolarHBondContact O-CG 3.26Å; K173-R177 PolarHBondContact O-N 3.24Å; A174-R177 WeakPolarHBondContact O-CA 3.38Å; A174-R177 WeakPolarHBondContact O-CB 3.43Å; A174-R177 PolarHBondContact O-N 2.92Å; V175-R177 PolarHBondContact O-N 3.23Å; V175-R177 VanDerWaalsContact O-N 3.12Å
178L71.6Confident64.9Low148 Ų148130.3 Ų130.378%0.77568%0.675SS**Hα-helixtrans-95.5-28.8177-66.4169000112.3A174 V175 T180A174-L178 PolarHBondContact O-N 2.95Å; V175-L178 PolarHBondContact O-N 2.97Å; L178-T180 VanDerWaalsContact C-N 3.32Å; L178-T180 PolarHBondContact O-N 3.12Å
179S73Confident62.8Low88 Ų88133.7 Ų133.762%0.61569%0.69SS**SBendtrans-76.3-6.6-177.7-52.60000115.8V175 P181V175-S179 PolarHBondContact O-N 3.17Å; V175-S179 PolarHBondContact O-OG 3.32Å; V175-S179 VanDerWaalsContact O-OG 3.11Å; S179-P181 WeakPolarHBondContact O-CD 3.37Å
180T61.4Low61Low92 Ų92137.1 Ų137.156%0.56471%0.71SS**  trans-102.8106.5-179.454.10000111.4L178L178-T180 VanDerWaalsContact C-N 3.32Å; L178-T180 PolarHBondContact O-N 3.12Å
181P48.1Very low58.9Low120 Ų120135.9 Ų135.978%0.77971%0.711SS**  trans-69.5148.7171.129.5-33.8000111.3S179S179-P181 WeakPolarHBondContact O-CD 3.37Å
182N45.9Very low57.2Low157 Ų157139 Ų13984%0.8472%0.722SS**SBendtrans64.663.4163.8-158.119.7000118.3
183A41.9Very low55.2Low96 Ų96140 Ų14079%0.79373%0.734SS**  trans-144.7127.9157.600000112.5
184F40.8Very low52.7Low191 Ų191145.2 Ų145.284%0.83875%0.75SS**  trans-71.5161.5-169.1-105.5-106.7000116.2
185K46.5Very low50.9Low185 Ų185147.5 Ų147.580%0.80476%0.756SS**  trans77.491.5163.1-63161.3-174174.90118.3
186P40.8Very low49.2Very low125 Ų125151 Ų15181%0.81277%0.766SS**  trans-79.6121.6162.531.9-31.6000112.1
187K37.4Very low47.3Very low205 Ų205150.1 Ų150.189%0.89177%0.767SS**  trans-109.3108.9155.4-97.7-173.6176178.80107.6
188L39.1Very low46.3Very low168 Ų168147.7 Ų147.788%0.8876%0.757SS**  trans-136126.9169-73.5177.2000110.3
189F38.2Very low45.6Very low206 Ų206145.2 Ų145.290%0.90475%0.745SS**  trans-88.8138.2157.4-73.9-107.6000107.4
190L42.9Very low45.2Very low159 Ų159145.6 Ų145.683%0.83274%0.74SS**  163.2139.2112.8-162.263.6000111.6
191S37Very low45.4Very low84 Ų84144.1 Ų144.159%0.58773%0.729SS**  trans29.6116.7160.961.30000122
192E47.5Very low46.3Very low170 Ų170142.1 Ų142.179%0.79472%0.717SS**  -153.6-169.1116.1-133.943.9-86.600107.6
193P41.4Very low47.3Very low114 Ų114138.6 Ų138.674%0.7470%0.698SS**  trans-91.2161-136-4.627.8000115.6N195P193-N195 PolarHBondContact O-N 3.41Å
194R31.7Very low48.3Very low234 Ų234140.1 Ų140.188%0.88369%0.687SS**  trans-72.8106.8-172.7-59.4170.4-177.2147.9-0.3112.9
195N43.2Very low49.4Very low97 Ų97134.3 Ų134.352%0.51966%0.664SS.*  trans-153.614.5159.7-133.4-17.5000117.6P193P193-N195 PolarHBondContact O-N 3.41Å
196Q46.7Very low50.5Low158 Ų158131.5 Ų131.574%0.73865%0.654SS**  trans-124.817.9-176.6-70.7-167.3-3.600116R198 N199Q196-R198 PolarHBondContact O-N 2.93Å; Q196-N199 PolarHBondContact O-N 3.28Å; Q196-N199 VanDerWaalsContact O-N 3.15Å
197M43.6Very low51.7Low147 Ų147130.6 Ų130.672%0.72465%0.646SS**Hα-helixtrans-58.5-25.3-177.1-69.2-177.867.200114.2N199 L200M197-N199 VanDerWaalsContact C-N 3.3Å; M197-N199 PolarHBondContact O-N 3.17Å; M197-L200 PolarHBondContact O-N 3.5Å
198R53.3Low52.9Low157 Ų157125.1 Ų125.159%0.59263%0.626SS**Hα-helixtrans-68.2-15178.458-179.3165.4110.1-4.2115.9Q196Q196-R198 PolarHBondContact O-N 2.93Å
199N57.3Low53.9Low96 Ų96118.3 Ų118.351%0.51359%0.592SS.*Hα-helixtrans-89.8-33.1176.4-175.7-99.9000112.8Q196 M197 D201 S202 L203Q196-N199 PolarHBondContact O-N 3.28Å; Q196-N199 VanDerWaalsContact O-N 3.15Å; M197-N199 VanDerWaalsContact C-N 3.3Å; M197-N199 PolarHBondContact O-N 3.17Å; N199-D201 PolarHBondContact O-N 3.43Å; N199-S202 PolarHBondContact O-N 3.37Å; N199-L203 PolarHBondContact O-N 3.14Å
200L64.2Low54.3Low96 Ų96113.2 Ų113.250%0.50358%0.578SS.*Hα-helixtrans-61.7-32.6178.3-67.2176.7000112.4M197 S202 L203 F204M197-L200 PolarHBondContact O-N 3.5Å; L200-S202 VanDerWaalsContact C-N 3.34Å; L200-S202 PolarHBondContact O-N 3.26Å; L200-L203 HydrophobicContact CD2-CD1 4.35Å; L200-L203 PolarHBondContact O-N 3.16Å; L200-F204 HydrophobicContact CB-CD2 4.41Å; L200-F204 HydrophobicContact CB-CE2 4.34Å; L200-F204 WeakPolarHBondContact O-CD2 3.33Å; L200-F204 PolarHBondContact O-N 2.93Å
201D65.4Low54.5Low62 Ų62110.4 Ų110.433%0.33257%0.57SS.*Hα-helixtrans-63.8-36.6177.4-103.5-45000113N199 F204 D205 R330N199-D201 PolarHBondContact O-N 3.43Å; D201-F204 PolarHBondContact O-N 3.11Å; D201-D205 PolarHBondContact O-N 3.15Å; D201-R330 IonicContact OD1-CZ 2.82Å; D201-R330 IonicContact OD1-NH1 3.41Å; D201-R330 PolarHBondContact OD1-NH1 3.05Å; D201-R330 IonicContact OD1-NH2 2.72Å; D201-R330 PolarHBondContact OD1-NH2 2.77Å; D201-R330 IonicContact OD2-CZ 2.7Å; D201-R330 IonicContact OD2-NH1 3.42Å; D201-R330 IonicContact OD2-NH2 3.31Å; D201-R330 PolarHBondContact OD2-NH2 2.93Å
202S66.8Low54.4Low77 Ų77113.2 Ų113.254%0.53858%0.584SS.*Hα-helixtrans-66.2-41172.6-61.30000111.9N199 L200 F204 D205 E206N199-S202 PolarHBondContact O-N 3.37Å; L200-S202 VanDerWaalsContact C-N 3.34Å; L200-S202 PolarHBondContact O-N 3.26Å; S202-F204 VanDerWaalsContact C-N 3.31Å; S202-F204 PolarHBondContact O-N 3.37Å; S202-D205 PolarHBondContact O-N 3.47Å; S202-E206 WeakPolarHBondContact O-CB 3.28Å; S202-E206 PolarHBondContact O-N 3.21Å
203L68.8Low53.9Low84 Ų84110 Ų11044%0.4459%0.586SS.*Hα-helixtrans-64.8-34.3174.5-71.7166000112N199 L200 V207N199-L203 PolarHBondContact O-N 3.14Å; L200-L203 HydrophobicContact CD2-CD1 4.35Å; L200-L203 PolarHBondContact O-N 3.16Å; L203-V207 WeakPolarHBondContact O-CB 2.92Å; L203-V207 VanDerWaalsContact O-CG2 3.3Å; L203-V207 WeakPolarHBondContact O-CG2 3.44Å; L203-V207 PolarHBondContact O-N 3.16Å
204F61.9Low53.7Low127 Ų127110 Ų11056%0.55759%0.589SS**Hα-helixtrans-70-41.7173.8-81.1-61.4000112.7L200 D201 S202 E206 V207 L208L200-F204 HydrophobicContact CB-CD2 4.41Å; L200-F204 HydrophobicContact CB-CE2 4.34Å; L200-F204 WeakPolarHBondContact O-CD2 3.33Å; L200-F204 PolarHBondContact O-N 2.93Å; D201-F204 PolarHBondContact O-N 3.11Å; S202-F204 VanDerWaalsContact C-N 3.31Å; S202-F204 PolarHBondContact O-N 3.37Å; F204-E206 VanDerWaalsContact C-N 3.3Å; F204-E206 PolarHBondContact O-N 2.93Å; F204-V207 PolarHBondContact O-N 2.88Å; F204-L208 VanDerWaalsContact O-CB 3.26Å; F204-L208 WeakPolarHBondContact O-CB 3.46Å; F204-L208 WeakPolarHBondContact O-CG 3.25Å; F204-L208 PolarHBondContact O-N 3.04Å
205D64.3Low54Low69 Ų69108.1 Ų108.137%0.36959%0.59SS.*Hα-helixtrans-68.1-29.7174.5-83.9-17.5000112D201 S202 S209D201-D205 PolarHBondContact O-N 3.15Å; S202-D205 PolarHBondContact O-N 3.47Å; D205-S209 VanDerWaalsContact O-CB 3.27Å; D205-S209 WeakPolarHBondContact O-CB 3.4Å; D205-S209 PolarHBondContact O-N 3.25Å; D205-S209 VanDerWaalsContact O-N 3.09Å; D205-S209 PolarHBondContact O-OG 2.91Å
206E69.3Low53.6Low127 Ų127113.1 Ų113.159%0.59361%0.611SS**Hα-helixtrans-70.8-45.7173.2-170.5163.2-159.600112S202 F204 L208 S209 T210S202-E206 WeakPolarHBondContact O-CB 3.28Å; S202-E206 PolarHBondContact O-N 3.21Å; F204-E206 VanDerWaalsContact C-N 3.3Å; F204-E206 PolarHBondContact O-N 2.93Å; E206-L208 VanDerWaalsContact C-N 3.34Å; E206-L208 PolarHBondContact O-N 3.5Å; E206-S209 VanDerWaalsContact O-CB 3.31Å; E206-S209 WeakPolarHBondContact O-CB 3.21Å; E206-S209 PolarHBondContact O-N 3.21Å; E206-T210 PolarHBondContact O-N 3.37Å
207V66.8Low52.9Low105 Ų105109.4 Ų109.464%0.63662%0.615SS**Hα-helixtrans-67.8-31.5174.1170.10000112.5L203 F204 S209 T210L203-V207 WeakPolarHBondContact O-CB 2.92Å; L203-V207 VanDerWaalsContact O-CG2 3.3Å; L203-V207 WeakPolarHBondContact O-CG2 3.44Å; L203-V207 PolarHBondContact O-N 3.16Å; F204-V207 PolarHBondContact O-N 2.88Å; V207-S209 PolarHBondContact O-N 3.27Å; V207-T210 PolarHBondContact O-OG1 3.39Å
208L61.8Low52.7Low90 Ų90108.5 Ų108.547%0.47162%0.622SS.*THydrogen-bonded Turntrans-75.3-12.5171.2-72.4171.9000113F204 E206F204-L208 VanDerWaalsContact O-CB 3.26Å; F204-L208 WeakPolarHBondContact O-CB 3.46Å; F204-L208 WeakPolarHBondContact O-CG 3.25Å; F204-L208 PolarHBondContact O-N 3.04Å; E206-L208 VanDerWaalsContact C-N 3.34Å; E206-L208 PolarHBondContact O-N 3.5Å
209S60.7Low51.7Low25 Ų25109.2 Ų109.218%0.17564%0.638CS.*THydrogen-bonded Turntrans-88.2-38.1-179.9-73.60000113.7D205 E206 V207 P211 R279D205-S209 VanDerWaalsContact O-CB 3.27Å; D205-S209 WeakPolarHBondContact O-CB 3.4Å; D205-S209 PolarHBondContact O-N 3.25Å; D205-S209 VanDerWaalsContact O-N 3.09Å; D205-S209 PolarHBondContact O-OG 2.91Å; E206-S209 VanDerWaalsContact O-CB 3.31Å; E206-S209 WeakPolarHBondContact O-CB 3.21Å; E206-S209 PolarHBondContact O-N 3.21Å; V207-S209 PolarHBondContact O-N 3.27Å; S209-P211 VanDerWaalsContact O-CD 3.3Å; S209-P211 WeakPolarHBondContact O-CD 3.19Å; S209-P211 VanDerWaalsContact O-N 3.08Å; S209-R279 PolarHBondContact O-NH1 2.7Å; S209-R279 PolarHBondContact O-NH2 3.31Å
210T46.2Very low51Low99 Ų99109.5 Ų109.561%0.60765%0.654SS**  trans-54.3114.2-171.552.30000112.6E206 V207E206-T210 PolarHBondContact O-N 3.37Å; V207-T210 PolarHBondContact O-OG1 3.39Å
211P46.3Very low49.8Very low101 Ų101115.2 Ų115.266%0.65668%0.675SS**  trans-75.1139175.531.7-32000109.6S209 A213S209-P211 VanDerWaalsContact O-CD 3.3Å; S209-P211 WeakPolarHBondContact O-CD 3.19Å; S209-P211 VanDerWaalsContact O-N 3.08Å; P211-A213 PolarHBondContact O-N 3.44Å
212T36Very low48.5Very low143 Ų143115.6 Ų115.688%0.87769%0.693SS**  trans-75.4102.7175.6460000110.1
213A35.3Very low47.4Very low102 Ų102117.8 Ų117.884%0.84370%0.703SS**  trans-79.9121.1166.100000109.5P211P211-A213 PolarHBondContact O-N 3.44Å
214S37.7Very low46Very low115 Ų115122.1 Ų122.180%0.80472%0.721SS**  trans-105.7125.2168.253.90000109
215E37.9Very low44.8Very low194 Ų194120.3 Ų120.391%0.90772%0.724SS**  trans-74.6134-174.9-57.9174.4131.300112.3
216Q35Very low43.5Very low202 Ų202125.5 Ų125.594%0.94474%0.744SS**  trans-149.6139.1155.1-75.2-163.5-18.100109.6
217G32.1Very low42.1Very low80 Ų80126.8 Ų126.883%0.82575%0.75SS**  trans129.378.416100000117.7
218S39.9Very low41Very low127 Ų127127.9 Ų127.989%0.88875%0.752SS**  trans-157.9148.9141.249.80000110.7
219N33.2Very low40.1Very low173 Ų173129.1 Ų129.193%0.92577%0.766SS**  trans-98.6141.1-171.7-92.5-53.8000112.7
220A41.8Very low39.1Very low102 Ų102135.7 Ų135.784%0.84380%0.799SS**  trans-148.3158.4159.600000110.3
221K38Very low38.8Very low216 Ų216133.8 Ų133.894%0.93980%0.799SS**  trans-101.5154-166.6-58.7174.2-179.61770113.5
222G39.5Very low38.7Very low70 Ų70138.4 Ų138.472%0.72281%0.809SS**  trans149.893.6169.800000110.7
223V43.9Very low38.9Very low122 Ų122136 Ų13674%0.73980%0.797SS**  95.3119.566.7165.10000111.9
224E38.4Very low39.2Very low175 Ų175137.8 Ų137.882%0.81879%0.793SS**  trans64154.5164.8-74.4163.1-14300119.9
225S36.7Very low39.4Very low89 Ų89137.6 Ų137.662%0.62279%0.792SS**  cis-171.8173.1-31.9-1030000110.7
226F37.5Very low39.5Very low178 Ų178132.7 Ų132.778%0.78178%0.779SS**  trans73.7122.3175.9-54.6-77.4000115.5
227E39.5Very low39.9Very low155 Ų155130.8 Ų130.872%0.72477%0.773SS**  77.313956.1-70.2-159.4133.200113.9
228N42.8Very low40.1Very low128 Ų128130.7 Ų130.768%0.68476%0.764SS**  cis-151.4167.8-1.8-115-33.4000111
229P44.6Very low39.7Very low116 Ų116131 Ų13175%0.75376%0.761SS**  trans-105.8-177.4-17141.4-37.1000115.3
230N38Very low39.9Very low163 Ų163129.4 Ų129.487%0.87276%0.758SS**  trans147.8154.4131.2-161.74.8000114.5
231G40.7Very low39.7Very low59 Ų59134.7 Ų134.761%0.60876%0.762SS**  trans112.7103.8179.500000112.8
232K43.4Very low39.5Very low198 Ų198129.8 Ų129.886%0.86176%0.755SS**  60.8129.274.7-65.5-176.7178.2-179.70114.4
233S40.9Very low39.2Very low91 Ų91132.2 Ų132.264%0.63676%0.758SS**  cis-164.1175.7-14.648.60000110.4
234D41.2Very low38.6Very low140 Ų140132.5 Ų132.575%0.74976%0.764SS**  trans73.4109.7156.8-50.2-51.1000121.7
235S42.3Very low38.6Very low112 Ų112129.9 Ų129.978%0.78376%0.756SS**  44.4123.8115-158.50000118.9
236S39.1Very low38.9Very low91 Ų91134.2 Ų134.264%0.63677%0.77SS**  cis-173.4172.314.649.20000112.6
237I43.2Very low39Very low162 Ų162129 Ų12983%0.83177%0.767SS**  trans66.8134.4158.4-67.4157.7000117.6
238A36.5Very low39.4Very low77 Ų77130 Ų13064%0.63677%0.768SS**  cis-163.8153.4-2400000111.6
239T33.2Very low39.8Very low134 Ų134129 Ų12982%0.82277%0.769SS**  trans62.880.4150.9-46.60000120.2
240T37.2Very low40.3Very low140 Ų140128.8 Ų128.886%0.85976%0.756SS**  trans-134.788.6151.934.80000113
241K36.9Very low41.2Very low212 Ų212127.1 Ų127.192%0.92275%0.752SS**  trans31.296.2152.1-61.2174.8-1771720118
242S32.7Very low42.4Very low113 Ų113126 Ų12679%0.7973%0.732SS**  trans-110.9145.1160.9-173.30000110.7
243P35.3Very low43.3Very low121 Ų121118.7 Ų118.779%0.78670%0.704SS**  trans-101.7106.5-168.636.2-31.4000115.1
244C31.2Very low44Very low129 Ų129123.3 Ų123.387%0.87272%0.716SS**  trans-144.2126168.7-79.10000112.4
245D37.4Very low45.1Very low120 Ų120123.9 Ų123.964%0.64272%0.719SS**  -172.6112.8122-170.1-4.9000108.7G247D245-G247 PolarHBondContact OD1-N 3.24Å
246I43Very low46.5Very low180 Ų180119.1 Ų119.192%0.92369%0.685SS**  trans-127.796.7169.5-58175.7000105.6
247G40.7Very low48.4Very low69 Ų69116.7 Ų116.771%0.71167%0.666SS**  trans-179.7-29.817900000118.2D245D245-G247 PolarHBondContact OD1-N 3.24Å
248K47.2Very low50.1Low175 Ų175113.5 Ų113.576%0.76166%0.656SS**  trans-100.6124.8-173.5-71.5176.2-179.8171.60113.3
249P50Low52.2Low106 Ų106114.2 Ų114.269%0.68865%0.649SS**  trans-66.4134.7169.828.7-33.1000109.5V251P249-V251 PolarHBondContact O-N 3.39Å; P249-V251 VanDerWaalsContact O-N 3.16Å
250K56.1Low54.6Low113 Ų113107.8 Ų107.849%0.49161%0.61SS.*  trans-67.7113.8174.8-69.8179.5178.8175.10108.6Y312K250-Y312 WeakPolarHBondContact O-CD2 3.41Å
251V57.7Low56.8Low128 Ų128104.1 Ų104.178%0.77658%0.584SS**PPolyproline II helixtrans-66.7140.9178.1-175.20000109.4P249P249-V251 PolarHBondContact O-N 3.39Å; P249-V251 VanDerWaalsContact O-N 3.16Å
252L65Low59.1Low36 Ų3697.4 Ų97.419%0.18856%0.562CS.*PPolyproline II helixtrans-70136.3177.8-165.276.1000109.6E254 L256 I261 L264 Y312L252-E254 PolarHBondContact O-N 3.39Å; L252-L256 HydrophobicContact CD1-CD1 3.88Å; L252-L256 HydrophobicContact CD2-CD1 4.1Å; L252-L256 HydrophobicContact CG-CD1 3.69Å; L252-I261 HydrophobicContact CD2-CD1 4.5Å; L252-I261 HydrophobicContact CD2-CG1 4.1Å; L252-L264 HydrophobicContact CD1-CD1 3.78Å; L252-L264 HydrophobicContact CD2-CD1 4.28Å; L252-Y312 HydrophobicContact CB-CD2 4.14Å; L252-Y312 HydrophobicContact CB-CE2 4.2Å; L252-Y312 HydrophobicContact CD1-CD1 3.81Å; L252-Y312 HydrophobicContact CD1-CD2 3.85Å; L252-Y312 HydrophobicContact CD1-CE1 4.3Å; L252-Y312 HydrophobicContact CD1-CE2 4.34Å; L252-Y312 HydrophobicContact CD1-CG 3.57Å
253P62.1Low61.6Low44 Ų4492 Ų9229%0.28652%0.524SS..PPolyproline II helixtrans-54.9123.8174.8-2734.4000111.9N255 L256 D308P253-N255 PolarHBondContact O-N 3.01Å; P253-L256 HydrophobicContact CB-CD1 4.07Å; P253-L256 HydrophobicContact CG-CD1 4.19Å; P253-L256 PolarHBondContact O-N 3.22Å; P253-D308 HydrophobicContact CG-CB 4.16Å
254E56.8Low64Low187 Ų18786.4 Ų86.487%0.87449%0.487SS*.THydrogen-bonded Turntrans-63-18.8-165.8-64.4177.1123.900114.7L252L252-E254 PolarHBondContact O-N 3.39Å
255N63.9Low66.5Low153 Ų15384.2 Ų84.282%0.81847%0.467SS*.THydrogen-bonded Turntrans-104.846.2-176.7-67-75.2000112.8P253P253-N255 PolarHBondContact O-N 3.01Å
256L72.1Confident68.7Low12 Ų1280.7 Ų80.76%0.06345%0.448CS..  trans-99.7127.9177.6-89.9161.8000112.1L252 P253 I260 I261 M301 V305 V309L252-L256 HydrophobicContact CD1-CD1 3.88Å; L252-L256 HydrophobicContact CD2-CD1 4.1Å; L252-L256 HydrophobicContact CG-CD1 3.69Å; P253-L256 HydrophobicContact CB-CD1 4.07Å; P253-L256 HydrophobicContact CG-CD1 4.19Å; P253-L256 PolarHBondContact O-N 3.22Å; L256-I260 HydrophobicContact CD2-CD1 3.91Å; L256-I260 HydrophobicContact CD2-CG2 4.16Å; L256-I261 HydrophobicContact CB-CG1 4.38Å; L256-I261 WeakPolarHBondContact O-CD1 3.36Å; L256-M301 HydrophobicContact CD2-CE 4.45Å; L256-V305 HydrophobicContact CD2-CG1 3.95Å; L256-V305 HydrophobicContact CG-CG1 4.46Å; L256-V309 HydrophobicContact CD1-CG2 3.65Å; L256-V309 HydrophobicContact CD2-CG2 3.89Å; L256-V309 HydrophobicContact CG-CG2 4.46Å
257P78.4Confident70.7Confident39 Ų3972.1 Ų72.125%0.25340%0.404SS..  trans-51.9141177.1-32.737.4000114.1D259 I260 I261 L299P257-D259 PolarHBondContact O-N 3.24Å; P257-D259 VanDerWaalsContact O-N 3.1Å; P257-I260 HydrophobicContact CG-CD1 4.5Å; P257-I260 WeakPolarHBondContact O-CB 3.45Å; P257-I260 PolarHBondContact O-N 3.25Å; P257-I261 PolarHBondContact O-N 3.44Å; P257-L299 HydrophobicContact CB-CD1 4.11Å; P257-L299 HydrophobicContact CG-CD1 4.12Å; P257-L299 HydrophobicContact CG-CD2 4.49Å
258P78.7Confident72.7Confident96 Ų9669.1 Ų69.162%0.62337%0.372SS*.Hα-helixtrans-59.4-29.7-176.424.7-34.7000112.2I260 I261 T262P258-I260 VanDerWaalsContact C-N 3.25Å; P258-I260 PolarHBondContact O-N 3.16Å; P258-I261 PolarHBondContact O-N 2.7Å; P258-T262 WeakPolarHBondContact O-CB 3.23Å; P258-T262 PolarHBondContact O-N 3.08Å; P258-T262 PolarHBondContact O-OG1 2.67Å; P258-T262 VanDerWaalsContact O-OG1 3.07Å
259D81.1Confident74.4Confident91 Ų9165.8 Ų65.849%0.48736%0.359SS..Hα-helixtrans-56.5-32.8173.2-100-57.5000115P257 C263 K295P257-D259 PolarHBondContact O-N 3.24Å; P257-D259 VanDerWaalsContact O-N 3.1Å; D259-C263 PolarHBondContact O-SG 2.82Å; D259-K295 HydrophobicContact CB-CD 4.16Å; D259-K295 WeakPolarHBondContact O-CD 3.32Å; D259-K295 PolarHBondContact O-NZ 2.86Å; D259-K295 IonicContact OD1-NZ 2.74Å; D259-K295 PolarHBondContact OD1-NZ 3.1Å
260I84.2Confident75.8Confident0 Ų063.9 Ų63.90%034%0.343CS..Hα-helixtrans-80.5-47.2174.3-72160.3000109.5L256 P257 P258 T262 C263 L264 L292 L296 L299 V309L256-I260 HydrophobicContact CD2-CD1 3.91Å; L256-I260 HydrophobicContact CD2-CG2 4.16Å; P257-I260 HydrophobicContact CG-CD1 4.5Å; P257-I260 WeakPolarHBondContact O-CB 3.45Å; P257-I260 PolarHBondContact O-N 3.25Å; P258-I260 VanDerWaalsContact C-N 3.25Å; P258-I260 PolarHBondContact O-N 3.16Å; I260-T262 VanDerWaalsContact C-N 3.3Å; I260-T262 PolarHBondContact O-N 3.15Å; I260-C263 PolarHBondContact O-N 3.12Å; I260-L264 HydrophobicContact CG2-CD1 3.91Å; I260-L264 HydrophobicContact CG2-CG 4.18Å; I260-L264 WeakPolarHBondContact O-CG 3.42Å; I260-L264 PolarHBondContact O-N 3.41Å; I260-L292 HydrophobicContact CG2-CD1 3.89Å; I260-L296 HydrophobicContact CD1-CD2 3.62Å; I260-L296 HydrophobicContact CD1-CG 4.49Å; I260-L296 HydrophobicContact CG1-CD2 4.11Å; I260-L296 HydrophobicContact CG2-CD2 4.4Å; I260-L299 HydrophobicContact CD1-CD1 3.56Å; I260-L299 HydrophobicContact CG1-CD1 3.97Å; I260-V309 HydrophobicContact CG2-CG1 4.44Å
261I82.5Confident76.7Confident62 Ų6260.2 Ų60.232%0.31833%0.328SS..Hα-helixtrans-56.3-44.3179.8-60.1176.2000110.8L252 L256 P257 P258 C263 L264 N265L252-I261 HydrophobicContact CD2-CD1 4.5Å; L252-I261 HydrophobicContact CD2-CG1 4.1Å; L256-I261 HydrophobicContact CB-CG1 4.38Å; L256-I261 WeakPolarHBondContact O-CD1 3.36Å; P257-I261 PolarHBondContact O-N 3.44Å; P258-I261 PolarHBondContact O-N 2.7Å; I261-C263 PolarHBondContact O-N 2.89Å; I261-L264 WeakPolarHBondContact O-CB 3.19Å; I261-L264 PolarHBondContact O-N 3.19Å; I261-L264 VanDerWaalsContact O-N 3.17Å; I261-N265 PolarHBondContact O-N 3.46Å
262T85.5Confident77.2Confident72 Ų7260.8 Ų60.844%0.44232%0.32SS..Hα-helixtrans-58.6-43174.2-61.60000112.2P258 I260 N265 N266P258-T262 WeakPolarHBondContact O-CB 3.23Å; P258-T262 PolarHBondContact O-N 3.08Å; P258-T262 PolarHBondContact O-OG1 2.67Å; P258-T262 VanDerWaalsContact O-OG1 3.07Å; I260-T262 VanDerWaalsContact C-N 3.3Å; I260-T262 PolarHBondContact O-N 3.15Å; T262-N265 PolarHBondContact O-N 2.86Å; T262-N266 WeakPolarHBondContact O-CB 3.49Å; T262-N266 PolarHBondContact O-N 3.47Å; T262-N266 PolarHBondContact O-ND2 3.34Å; T262-N266 PolarHBondContact O-OD1 3.37Å
263C84.9Confident76.7Confident0 Ų065.5 Ų65.50%034%0.341CS..Hα-helixtrans-70.1-32.2177.2-61.80000112.4D259 I260 I261 L267 L292 K295D259-C263 PolarHBondContact O-SG 2.82Å; I260-C263 PolarHBondContact O-N 3.12Å; I261-C263 PolarHBondContact O-N 2.89Å; C263-L267 WeakPolarHBondContact O-CB 2.99Å; C263-L267 WeakPolarHBondContact O-CD1 3.48Å; C263-L267 VanDerWaalsContact O-CG 3.25Å; C263-L267 WeakPolarHBondContact O-CG 3.29Å; C263-L267 PolarHBondContact O-N 2.92Å; C263-L292 HydrophobicContact CB-CB 4.32Å; C263-L292 HydrophobicContact CB-CD1 4.24Å; C263-K295 PolarHBondContact SG-NZ 2.72Å
264L84.7Confident76.3Confident2 Ų266.1 Ų66.11%0.0136%0.356CS..Hα-helixtrans-67.4-38.9173.2-65.4175.2000112L252 I260 I261 T268 L292 V309 Y312 L313L252-L264 HydrophobicContact CD1-CD1 3.78Å; L252-L264 HydrophobicContact CD2-CD1 4.28Å; I260-L264 HydrophobicContact CG2-CD1 3.91Å; I260-L264 HydrophobicContact CG2-CG 4.18Å; I260-L264 WeakPolarHBondContact O-CG 3.42Å; I260-L264 PolarHBondContact O-N 3.41Å; I261-L264 WeakPolarHBondContact O-CB 3.19Å; I261-L264 PolarHBondContact O-N 3.19Å; I261-L264 VanDerWaalsContact O-N 3.17Å; L264-T268 VanDerWaalsContact O-CB 3.26Å; L264-T268 WeakPolarHBondContact O-CB 3.36Å; L264-T268 PolarHBondContact O-N 3.43Å; L264-T268 PolarHBondContact O-OG1 3.22Å; L264-L292 HydrophobicContact CD2-CD1 4.35Å; L264-L292 HydrophobicContact CD2-CD2 3.77Å; L264-V309 HydrophobicContact CD1-CG1 4.22Å; L264-V309 HydrophobicContact CD2-CG1 3.87Å; L264-Y312 HydrophobicContact CD1-CD1 4.29Å; L264-L313 HydrophobicContact CD2-CD1 3.82Å; L264-L313 HydrophobicContact CD2-CD2 3.54Å; L264-L313 HydrophobicContact CD2-CG 3.56Å
265N83.7Confident75.7Confident84 Ų8462.3 Ų62.345%0.44935%0.345SS..Hα-helixtrans-66.7-46.7174.3-70.7-15.5000110.9I261 T262 L267 T268 E269I261-N265 PolarHBondContact O-N 3.46Å; T262-N265 PolarHBondContact O-N 2.86Å; N265-L267 PolarHBondContact O-N 3.22Å; N265-T268 WeakPolarHBondContact O-CB 3.44Å; N265-T268 PolarHBondContact O-N 3.07Å; N265-T268 VanDerWaalsContact O-N 3.12Å; N265-E269 WeakPolarHBondContact O-CB 3.33Å; N265-E269 PolarHBondContact O-N 3.32Å
266N85.3Confident74.8Confident45 Ų4561.8 Ų61.824%0.24134%0.342CS..Hα-helixtrans-56.9-46.4174.6-65.2-7.6000111.8T262 T268 E269 L270 E288T262-N266 WeakPolarHBondContact O-CB 3.49Å; T262-N266 PolarHBondContact O-N 3.47Å; T262-N266 PolarHBondContact O-ND2 3.34Å; T262-N266 PolarHBondContact O-OD1 3.37Å; N266-T268 VanDerWaalsContact C-N 3.3Å; N266-T268 PolarHBondContact O-N 3.15Å; N266-E269 PolarHBondContact O-N 3.43Å; N266-L270 VanDerWaalsContact O-CB 3.29Å; N266-L270 WeakPolarHBondContact O-CB 3.36Å; N266-L270 WeakPolarHBondContact O-CD1 3.24Å; N266-L270 WeakPolarHBondContact O-CG 3.29Å; N266-L270 PolarHBondContact O-N 3.33Å; N266-E288 HydrophobicContact CB-CG 4.09Å; N266-E288 PolarHBondContact ND2-OE2 3.37Å
267L84.5Confident73.6Confident0 Ų070.8 Ų70.80%038%0.384CS..Hα-helixtrans-62.7-37.6176.9-76.8166.3000112.6C263 N265 N271 F285 E288 L289 L292 L313 L317C263-L267 WeakPolarHBondContact O-CB 2.99Å; C263-L267 WeakPolarHBondContact O-CD1 3.48Å; C263-L267 VanDerWaalsContact O-CG 3.25Å; C263-L267 WeakPolarHBondContact O-CG 3.29Å; C263-L267 PolarHBondContact O-N 2.92Å; N265-L267 PolarHBondContact O-N 3.22Å; L267-N271 WeakPolarHBondContact O-CB 3.4Å; L267-N271 PolarHBondContact O-N 3.37Å; L267-F285 HydrophobicContact CB-CE2 4.43Å; L267-F285 HydrophobicContact CD2-CD2 3.56Å; L267-F285 HydrophobicContact CD2-CE2 3.54Å; L267-F285 HydrophobicContact CD2-CG 4.13Å; L267-F285 HydrophobicContact CD2-CZ 4.1Å; L267-F285 WeakPolarHBondContact CD2-O 3.46Å; L267-E288 HydrophobicContact CD2-CB 3.97Å; L267-E288 HydrophobicContact CG-CB 4.07Å; L267-L289 HydrophobicContact CD1-CD1 4.47Å; L267-L289 HydrophobicContact CD2-CB 3.92Å; L267-L292 HydrophobicContact CD1-CB 4.35Å; L267-L292 HydrophobicContact CD1-CD2 3.69Å; L267-L313 HydrophobicContact CB-CD2 4.31Å; L267-L313 HydrophobicContact CD1-CD1 4.07Å; L267-L313 HydrophobicContact CD1-CD2 4.33Å; L267-L317 WeakPolarHBondContact O-CD2 3.31Å
268T83.4Confident72Confident7 Ų779.2 Ų79.24%0.04341%0.411CS..Hα-helixtrans-66.9-44.7176.2-68.60000111.8L264 N265 N266 N271 K272 H316L264-T268 VanDerWaalsContact O-CB 3.26Å; L264-T268 WeakPolarHBondContact O-CB 3.36Å; L264-T268 PolarHBondContact O-N 3.43Å; L264-T268 PolarHBondContact O-OG1 3.22Å; N265-T268 WeakPolarHBondContact O-CB 3.44Å; N265-T268 PolarHBondContact O-N 3.07Å; N265-T268 VanDerWaalsContact O-N 3.12Å; N266-T268 VanDerWaalsContact C-N 3.3Å; N266-T268 PolarHBondContact O-N 3.15Å; T268-N271 PolarHBondContact O-N 3.46Å; T268-K272 HydrophobicContact CG2-CD 4.07Å; T268-K272 VanDerWaalsContact CG2-CE 3.47Å; T268-K272 WeakPolarHBondContact O-CG 3.17Å; T268-K272 PolarHBondContact O-N 3.1Å; T268-H316 WeakPolarHBondContact CG2-CD2 3.37Å; T268-H316 WeakPolarHBondContact CG2-NE2 3.37Å
269E81.8Confident70.8Confident105 Ų10579.2 Ų79.249%0.49140%0.398SS..Hα-helixtrans-67.4-46.5178.9-175.3171.1-163.300111.6N265 N266 N271 K272 H273N265-E269 WeakPolarHBondContact O-CB 3.33Å; N265-E269 PolarHBondContact O-N 3.32Å; N266-E269 PolarHBondContact O-N 3.43Å; E269-N271 PolarHBondContact O-N 2.85Å; E269-N271 VanDerWaalsContact O-N 3.16Å; E269-K272 PolarHBondContact O-N 3.36Å; E269-H273 PolarHBondContact O-CD2 3.37Å; E269-H273 VanDerWaalsContact O-CD2 3.25Å; E269-H273 PolarHBondContact O-N 2.91Å
270L78.8Confident69.6Low65 Ų6580.7 Ų80.734%0.3441%0.411SS..Hα-helixtrans-60.5-23.9173.9-70.9168.8000113.2N266 P284 F285 E288N266-L270 VanDerWaalsContact O-CB 3.29Å; N266-L270 WeakPolarHBondContact O-CB 3.36Å; N266-L270 WeakPolarHBondContact O-CD1 3.24Å; N266-L270 WeakPolarHBondContact O-CG 3.29Å; N266-L270 PolarHBondContact O-N 3.33Å; L270-P284 HydrophobicContact CD1-CB 4.23Å; L270-P284 HydrophobicContact CD2-CB 4.01Å; L270-P284 HydrophobicContact CD2-CG 4.21Å; L270-F285 HydrophobicContact CB-CB 4.47Å; L270-E288 HydrophobicContact CD1-CB 4.45Å; L270-E288 HydrophobicContact CD1-CG 4.04Å
271N75.2Confident68.8Low36 Ų3681.9 Ų81.919%0.19342%0.417CS..Hα-helixtrans-82-38.5171.2-16457.3000112.3L267 T268 E269 H273 G274 L317L267-N271 WeakPolarHBondContact O-CB 3.4Å; L267-N271 PolarHBondContact O-N 3.37Å; T268-N271 PolarHBondContact O-N 3.46Å; E269-N271 PolarHBondContact O-N 2.85Å; E269-N271 VanDerWaalsContact O-N 3.16Å; N271-H273 VanDerWaalsContact C-N 3.34Å; N271-H273 PolarHBondContact O-N 3.05Å; N271-G274 PolarHBondContact O-N 3.36Å; N271-L317 HydrophobicContact CB-CD2 3.65Å; N271-L317 WeakPolarHBondContact ND2-CA 3.42Å; N271-L317 PolarHBondContact ND2-O 3.33Å
272K69.4Low68.4Low140 Ų14080.5 Ų80.561%0.60942%0.418SS*.Hα-helixtrans-63.8-34.7177.3-75.2168-179.3173.60113T268 E269 G274T268-K272 HydrophobicContact CG2-CD 4.07Å; T268-K272 VanDerWaalsContact CG2-CE 3.47Å; T268-K272 WeakPolarHBondContact O-CG 3.17Å; T268-K272 PolarHBondContact O-N 3.1Å; E269-K272 PolarHBondContact O-N 3.36Å; K272-G274 PolarHBondContact O-N 3.38Å
273H54.4Low68.2Low136 Ų13685.4 Ų85.463%0.6343%0.433SS*.THydrogen-bonded Turntrans-79.73.9177.1-70.8-70.5000114.7E269 N271 T275E269-H273 PolarHBondContact O-CD2 3.37Å; E269-H273 VanDerWaalsContact O-CD2 3.25Å; E269-H273 PolarHBondContact O-N 2.91Å; N271-H273 VanDerWaalsContact C-N 3.34Å; N271-H273 PolarHBondContact O-N 3.05Å; H273-T275 PolarHBondContact O-N 3Å
274G52.6Low68.2Low57 Ų5789 Ų8959%0.58846%0.457SS*.  trans-74.155.5171.700000113.7N271 K272N271-G274 PolarHBondContact O-N 3.36Å; K272-G274 PolarHBondContact O-N 3.38Å
275T44Very low68.3Low106 Ų10689 Ų8965%0.6546%0.457SS*.  trans-66.4147.1-17957.80000111.9H273H273-T275 PolarHBondContact O-N 3Å
276N44.7Very low68.4Low142 Ų14286.2 Ų86.276%0.75944%0.442SS*.SBendtrans6673.8172.5-53.4-39.6000116.9R278N276-R278 PolarHBondContact O-N 3.1Å
277Q47.8Very low68.5Low202 Ų20288.3 Ų88.394%0.94446%0.456SS*.SBendtrans60.3-12.4149.6-61.4-172.2-5.200120
278R43.8Very low68.7Low216 Ų21689.7 Ų89.782%0.81546%0.462SS*.  trans-105.2101.4175.5-78.8-175.6162-167.3-5.9111.3N276 T280N276-R278 PolarHBondContact O-N 3.1Å; R278-T280 PolarHBondContact O-N 2.99Å
279R54.7Low68.9Low95 Ų9589.3 Ų89.336%0.35846%0.46SS..  trans-78.941-175.9-130173.7-61.4160.810.7114.2S209 L281S209-R279 PolarHBondContact O-NH1 2.7Å; S209-R279 PolarHBondContact O-NH2 3.31Å; R279-L281 PolarHBondContact O-N 2.7Å
280T55.8Low69.2Low122 Ų12285.6 Ų85.675%0.74844%0.443SS*.  trans-73.873.1167.652.70000109.7R278 G282R278-T280 PolarHBondContact O-N 2.99Å; T280-G282 PolarHBondContact O-N 3.42Å; T280-G282 VanDerWaalsContact O-N 3.08Å
281L67.2Low69.7Low26 Ų2686 Ų8614%0.13644%0.442CS..  trans-46.7116.5165.5-72.8154.7000108R279 F285 L319 R327R279-L281 PolarHBondContact O-N 2.7Å; L281-F285 HydrophobicContact CB-CD1 4.09Å; L281-F285 HydrophobicContact CB-CG 4.42Å; L281-F285 HydrophobicContact CD1-CE1 4.4Å; L281-F285 HydrophobicContact CD2-CD1 4.06Å; L281-F285 HydrophobicContact CD2-CD2 3.86Å; L281-F285 HydrophobicContact CD2-CE1 4.22Å; L281-F285 HydrophobicContact CD2-CE2 4.02Å; L281-F285 HydrophobicContact CD2-CG 3.88Å; L281-F285 HydrophobicContact CD2-CZ 4.21Å; L281-L319 HydrophobicContact CD1-CD1 3.67Å; L281-L319 HydrophobicContact CD1-CD2 4.1Å; L281-L319 HydrophobicContact CD1-CG 4.44Å; L281-R327 PolarHBondContact O-NH2 3.44Å
282G74.7Confident70.3Confident32 Ų3284.2 Ų84.233%0.3343%0.433SS..  trans-88.9172.4-167.200000114.4T280 P284 F285 D286T280-G282 PolarHBondContact O-N 3.42Å; T280-G282 VanDerWaalsContact O-N 3.08Å; G282-P284 VanDerWaalsContact C-N 3.28Å; G282-P284 VanDerWaalsContact O-N 3.09Å; G282-F285 WeakPolarHBondContact O-CB 3.42Å; G282-F285 PolarHBondContact O-N 2.87Å; G282-D286 PolarHBondContact O-N 2.93Å
283K81.9Confident71.2Confident176 Ų17678.1 Ų78.177%0.76541%0.407SS*.Hα-helixtrans-42.6-39.2171.9-62.1-177179.4-178.30115.7D286 T287K283-D286 PolarHBondContact O-N 2.93Å; K283-T287 WeakPolarHBondContact O-CB 3.46Å; K283-T287 PolarHBondContact O-N 3.39Å; K283-T287 PolarHBondContact O-OG1 2.87Å
284P83.2Confident72.7Confident75 Ų7574 Ų7449%0.48739%0.389SS..Hα-helixtrans-64-40.7175.223.4-34.7000113.4L270 G282 D286 T287 E288L270-P284 HydrophobicContact CD1-CB 4.23Å; L270-P284 HydrophobicContact CD2-CB 4.01Å; L270-P284 HydrophobicContact CD2-CG 4.21Å; G282-P284 VanDerWaalsContact C-N 3.28Å; G282-P284 VanDerWaalsContact O-N 3.09Å; P284-D286 VanDerWaalsContact C-N 3.34Å; P284-D286 PolarHBondContact O-N 3.26Å; P284-T287 WeakPolarHBondContact O-CB 3.22Å; P284-T287 PolarHBondContact O-N 2.97Å; P284-E288 PolarHBondContact O-N 3.15Å
285F87Confident74.3Confident3 Ų372.7 Ų72.71%0.01337%0.367CS..Hα-helixtrans-62.6-43.1175.6173.4-87.5000110.9L267 L270 L281 G282 T287 E288 L289 L317 L319L267-F285 HydrophobicContact CB-CE2 4.43Å; L267-F285 HydrophobicContact CD2-CD2 3.56Å; L267-F285 HydrophobicContact CD2-CE2 3.54Å; L267-F285 HydrophobicContact CD2-CG 4.13Å; L267-F285 HydrophobicContact CD2-CZ 4.1Å; L267-F285 WeakPolarHBondContact CD2-O 3.46Å; L270-F285 HydrophobicContact CB-CB 4.47Å; L281-F285 HydrophobicContact CB-CD1 4.09Å; L281-F285 HydrophobicContact CB-CG 4.42Å; L281-F285 HydrophobicContact CD1-CE1 4.4Å; L281-F285 HydrophobicContact CD2-CD1 4.06Å; L281-F285 HydrophobicContact CD2-CD2 3.86Å; L281-F285 HydrophobicContact CD2-CE1 4.22Å; L281-F285 HydrophobicContact CD2-CE2 4.02Å; L281-F285 HydrophobicContact CD2-CG 3.88Å; L281-F285 HydrophobicContact CD2-CZ 4.21Å; G282-F285 WeakPolarHBondContact O-CB 3.42Å; G282-F285 PolarHBondContact O-N 2.87Å; F285-T287 VanDerWaalsContact C-N 3.3Å; F285-T287 PolarHBondContact O-N 3.07Å; F285-E288 PolarHBondContact O-N 3.42Å; F285-L289 HydrophobicContact CE1-CD2 3.89Å; F285-L289 HydrophobicContact CZ-CD2 4.42Å; F285-L289 VanDerWaalsContact O-CB 3.23Å; F285-L289 WeakPolarHBondContact O-CB 3.49Å; F285-L289 PolarHBondContact O-N 3.33Å; F285-L317 HydrophobicContact CE2-CD1 3.85Å; F285-L317 HydrophobicContact CE2-CD2 4.03Å; F285-L317 HydrophobicContact CZ-CD1 3.8Å; F285-L319 HydrophobicContact CZ-CD1 4.05Å
286D87.1Confident76.3Confident25 Ų2567.7 Ų67.713%0.13434%0.336CS..Hα-helixtrans-62-38175.6-66.7-43.1000112.7G282 K283 P284 L289 L290 R327 L331G282-D286 PolarHBondContact O-N 2.93Å; K283-D286 PolarHBondContact O-N 2.93Å; P284-D286 VanDerWaalsContact C-N 3.34Å; P284-D286 PolarHBondContact O-N 3.26Å; D286-L289 PolarHBondContact O-N 2.85Å; D286-L290 WeakPolarHBondContact O-CB 2.96Å; D286-L290 PolarHBondContact O-N 3.28Å; D286-R327 IonicContact OD1-CZ 3.19Å; D286-R327 IonicContact OD1-NE 2.7Å; D286-R327 PolarHBondContact OD1-NE 2.85Å; D286-R327 IonicContact OD1-NH2 2.82Å; D286-R327 PolarHBondContact OD1-NH2 3.4Å; D286-R327 IonicContact OD2-CZ 3.91Å; D286-R327 IonicContact OD2-NH2 2.86Å; D286-R327 PolarHBondContact OD2-NH2 3Å; D286-L331 HydrophobicContact CB-CD1 3.69Å; D286-L331 HydrophobicContact CB-CD2 3.67Å; D286-L331 HydrophobicContact CB-CG 4.33Å
287T87.5Confident78.1Confident88 Ų8865.6 Ų65.654%0.5432%0.321SS..Hα-helixtrans-66-49178.6-56.50000111K283 P284 F285 L289 L290 K291K283-T287 WeakPolarHBondContact O-CB 3.46Å; K283-T287 PolarHBondContact O-N 3.39Å; K283-T287 PolarHBondContact O-OG1 2.87Å; P284-T287 WeakPolarHBondContact O-CB 3.22Å; P284-T287 PolarHBondContact O-N 2.97Å; F285-T287 VanDerWaalsContact C-N 3.3Å; F285-T287 PolarHBondContact O-N 3.07Å; T287-L289 PolarHBondContact O-N 3.47Å; T287-L290 PolarHBondContact O-N 3.14Å; T287-K291 VanDerWaalsContact O-CB 3.26Å; T287-K291 WeakPolarHBondContact O-CB 3.28Å; T287-K291 PolarHBondContact O-N 3.4Å
288E87.1Confident79.9Confident29 Ų2962.4 Ų62.414%0.13631%0.306CS..Hα-helixtrans-68.3-32.2176.8-68.6-63.311200112.6N266 L267 L270 P284 F285 K291 L292N266-E288 HydrophobicContact CB-CG 4.09Å; N266-E288 PolarHBondContact ND2-OE2 3.37Å; L267-E288 HydrophobicContact CD2-CB 3.97Å; L267-E288 HydrophobicContact CG-CB 4.07Å; L270-E288 HydrophobicContact CD1-CB 4.45Å; L270-E288 HydrophobicContact CD1-CG 4.04Å; P284-E288 PolarHBondContact O-N 3.15Å; F285-E288 PolarHBondContact O-N 3.42Å; E288-K291 PolarHBondContact O-N 2.88Å; E288-K291 WeakPolarHBondContact OE1-CD 3.5Å; E288-K291 WeakPolarHBondContact OE1-CE 3.44Å; E288-K291 IonicContact OE1-NZ 2.67Å; E288-K291 PolarHBondContact OE1-NZ 3.21Å; E288-K291 WeakPolarHBondContact OE2-CD 3.34Å; E288-K291 IonicContact OE2-NZ 2.77Å; E288-K291 PolarHBondContact OE2-NZ 2.83Å; E288-L292 WeakPolarHBondContact O-CB 3.27Å; E288-L292 PolarHBondContact O-N 2.95Å
289L89.3Confident81.8Confident0 Ų055.9 Ų55.90%029%0.287CS..Hα-helixtrans-67.6-40177.2178.859.1000111.5L267 F285 D286 T287 D293 F310 V324 R327 L328 L331L267-L289 HydrophobicContact CD1-CD1 4.47Å; L267-L289 HydrophobicContact CD2-CB 3.92Å; F285-L289 HydrophobicContact CE1-CD2 3.89Å; F285-L289 HydrophobicContact CZ-CD2 4.42Å; F285-L289 VanDerWaalsContact O-CB 3.23Å; F285-L289 WeakPolarHBondContact O-CB 3.49Å; F285-L289 PolarHBondContact O-N 3.33Å; D286-L289 PolarHBondContact O-N 2.85Å; T287-L289 PolarHBondContact O-N 3.47Å; L289-D293 PolarHBondContact O-N 3.15Å; L289-F310 HydrophobicContact CD1-CE1 4.21Å; L289-V324 HydrophobicContact CD1-CG1 3.81Å; L289-V324 HydrophobicContact CD2-CG1 4.22Å; L289-R327 HydrophobicContact CD2-CG 4.5Å; L289-L328 HydrophobicContact CD2-CB 4.33Å; L289-L328 HydrophobicContact CG-CB 4.41Å; L289-L328 HydrophobicContact CG-CD1 4.31Å; L289-L331 HydrophobicContact CD2-CD1 4.22Å
290L87.4Confident82.8Confident26 Ų2659.7 Ų59.714%0.13631%0.31CS..Hα-helixtrans-72.4-37.9176.3-171.856.7000111.8D286 T287 D293 I294 L328 L331 K332 K335D286-L290 WeakPolarHBondContact O-CB 2.96Å; D286-L290 PolarHBondContact O-N 3.28Å; T287-L290 PolarHBondContact O-N 3.14Å; L290-D293 PolarHBondContact O-N 3.43Å; L290-I294 HydrophobicContact CG-CD1 4.35Å; L290-I294 WeakPolarHBondContact O-CD1 3.2Å; L290-I294 VanDerWaalsContact O-CG1 3.29Å; L290-I294 WeakPolarHBondContact O-CG1 3.4Å; L290-I294 PolarHBondContact O-N 3.36Å; L290-I294 VanDerWaalsContact O-N 3.1Å; L290-L328 HydrophobicContact CD1-CD1 4.09Å; L290-L331 HydrophobicContact CD1-CB 4.49Å; L290-L331 HydrophobicContact CD2-CB 4.39Å; L290-K332 HydrophobicContact CD1-CG 3.72Å; L290-K335 HydrophobicContact CD2-CB 4.08Å; L290-K335 HydrophobicContact CD2-CD 3.63Å; L290-K335 HydrophobicContact CD2-CG 4.44Å; L290-K335 HydrophobicContact CG-CD 4.48Å
291K89Confident83.8Confident73 Ų7355.6 Ų55.632%0.31728%0.283SS..Hα-helixtrans-61.5-39.9172179.1-169-179.2-169.50112.2T287 E288 I294 K295T287-K291 VanDerWaalsContact O-CB 3.26Å; T287-K291 WeakPolarHBondContact O-CB 3.28Å; T287-K291 PolarHBondContact O-N 3.4Å; E288-K291 PolarHBondContact O-N 2.88Å; E288-K291 WeakPolarHBondContact OE1-CD 3.5Å; E288-K291 WeakPolarHBondContact OE1-CE 3.44Å; E288-K291 IonicContact OE1-NZ 2.67Å; E288-K291 PolarHBondContact OE1-NZ 3.21Å; E288-K291 WeakPolarHBondContact OE2-CD 3.34Å; E288-K291 IonicContact OE2-NZ 2.77Å; E288-K291 PolarHBondContact OE2-NZ 2.83Å; K291-I294 PolarHBondContact O-N 3.42Å; K291-K295 WeakPolarHBondContact O-CG 3.25Å; K291-K295 PolarHBondContact O-N 3.48Å
292L88.7Confident84.4Confident0 Ų057.2 Ų57.20%030%0.297CS..Hα-helixtrans-61.1-46.7174.2175.365000111.8I260 C263 L264 L267 E288 I294 K295 L296 V309 F310 L313I260-L292 HydrophobicContact CG2-CD1 3.89Å; C263-L292 HydrophobicContact CB-CB 4.32Å; C263-L292 HydrophobicContact CB-CD1 4.24Å; L264-L292 HydrophobicContact CD2-CD1 4.35Å; L264-L292 HydrophobicContact CD2-CD2 3.77Å; L267-L292 HydrophobicContact CD1-CB 4.35Å; L267-L292 HydrophobicContact CD1-CD2 3.69Å; E288-L292 WeakPolarHBondContact O-CB 3.27Å; E288-L292 PolarHBondContact O-N 2.95Å; L292-I294 VanDerWaalsContact C-N 3.29Å; L292-I294 PolarHBondContact O-N 2.89Å; L292-K295 PolarHBondContact O-N 2.83Å; L292-L296 HydrophobicContact CD1-CD1 3.93Å; L292-L296 HydrophobicContact CD1-CG 4.02Å; L292-L296 HydrophobicContact CD2-CD1 4.49Å; L292-L296 HydrophobicContact CG-CD1 3.82Å; L292-L296 HydrophobicContact CG-CG 4.34Å; L292-L296 WeakPolarHBondContact O-CB 3.48Å; L292-L296 VanDerWaalsContact O-CG 3.23Å; L292-L296 WeakPolarHBondContact O-CG 3.23Å; L292-L296 PolarHBondContact O-N 3.09Å; L292-V309 HydrophobicContact CD1-CG1 4.48Å; L292-V309 HydrophobicContact CD2-CG1 4.44Å; L292-F310 HydrophobicContact CD2-CE1 4.28Å; L292-L313 HydrophobicContact CD2-CD1 3.56Å
293D87.3Confident84.7Confident11 Ų1161.7 Ų61.76%0.05931%0.309CS..Hα-helixtrans-63.5-34.5176.8176.992.8000113.1L289 L290 K297 L328 K332L289-D293 PolarHBondContact O-N 3.15Å; L290-D293 PolarHBondContact O-N 3.43Å; D293-K297 WeakPolarHBondContact O-CD 3.17Å; D293-K297 WeakPolarHBondContact O-CG 3.46Å; D293-K297 PolarHBondContact O-N 3.47Å; D293-K297 IonicContact OD1-NZ 3.21Å; D293-K297 WeakPolarHBondContact OD2-CE 3.38Å; D293-K297 IonicContact OD2-NZ 3.22Å; D293-K297 PolarHBondContact OD2-NZ 3.18Å; D293-L328 HydrophobicContact CB-CD1 3.67Å; D293-L328 HydrophobicContact CB-CD2 3.9Å; D293-L328 HydrophobicContact CB-CG 4.32Å; D293-K332 WeakPolarHBondContact OD1-CE 3.29Å; D293-K332 IonicContact OD1-NZ 3.49Å; D293-K332 PolarHBondContact OD1-NZ 2.95Å; D293-K332 WeakPolarHBondContact OD2-CE 3.37Å; D293-K332 IonicContact OD2-NZ 2.63Å; D293-K332 PolarHBondContact OD2-NZ 3.27Å; D293-K332 VanDerWaalsContact OD2-NZ 3.12Å
294I85.9Confident84.7Confident50 Ų5056.8 Ų56.826%0.25630%0.297SS..Hα-helixtrans-64-55.5174-70.8164.1000109.6L290 K291 L292 L296 K297 E298L290-I294 HydrophobicContact CG-CD1 4.35Å; L290-I294 WeakPolarHBondContact O-CD1 3.2Å; L290-I294 VanDerWaalsContact O-CG1 3.29Å; L290-I294 WeakPolarHBondContact O-CG1 3.4Å; L290-I294 PolarHBondContact O-N 3.36Å; L290-I294 VanDerWaalsContact O-N 3.1Å; K291-I294 PolarHBondContact O-N 3.42Å; L292-I294 VanDerWaalsContact C-N 3.29Å; L292-I294 PolarHBondContact O-N 2.89Å; I294-L296 VanDerWaalsContact C-N 3.33Å; I294-L296 PolarHBondContact O-N 3.21Å; I294-K297 WeakPolarHBondContact O-CB 3.45Å; I294-K297 PolarHBondContact O-N 3.12Å; I294-E298 HydrophobicContact CG2-CG 4.25Å; I294-E298 WeakPolarHBondContact CG2-OE1 3.4Å; I294-E298 WeakPolarHBondContact CG2-OE2 3.37Å; I294-E298 WeakPolarHBondContact O-CG 3.17Å; I294-E298 PolarHBondContact O-N 3.11Å
295K86.7Confident84.7Confident30 Ų3054.8 Ų54.813%0.1328%0.283CS..Hα-helixtrans-56.4-43.1177.2-71.5-173.3178.2-164.50113D259 C263 K291 L292 K297 E298 L299D259-K295 HydrophobicContact CB-CD 4.16Å; D259-K295 WeakPolarHBondContact O-CD 3.32Å; D259-K295 PolarHBondContact O-NZ 2.86Å; D259-K295 IonicContact OD1-NZ 2.74Å; D259-K295 PolarHBondContact OD1-NZ 3.1Å; C263-K295 PolarHBondContact SG-NZ 2.72Å; K291-K295 WeakPolarHBondContact O-CG 3.25Å; K291-K295 PolarHBondContact O-N 3.48Å; L292-K295 PolarHBondContact O-N 2.83Å; K295-K297 PolarHBondContact O-N 2.94Å; K295-E298 PolarHBondContact O-N 2.97Å; K295-L299 WeakPolarHBondContact O-CB 3.34Å; K295-L299 WeakPolarHBondContact O-CG 3.31Å; K295-L299 PolarHBondContact O-N 3.15Å
296L86.2Confident84.6Confident0 Ų057.5 Ų57.50%029%0.294CS..Hα-helixtrans-63-22.4177.8-75171.6000113.3I260 L292 I294 M301 R306 V309 F310I260-L296 HydrophobicContact CD1-CD2 3.62Å; I260-L296 HydrophobicContact CD1-CG 4.49Å; I260-L296 HydrophobicContact CG1-CD2 4.11Å; I260-L296 HydrophobicContact CG2-CD2 4.4Å; L292-L296 HydrophobicContact CD1-CD1 3.93Å; L292-L296 HydrophobicContact CD1-CG 4.02Å; L292-L296 HydrophobicContact CD2-CD1 4.49Å; L292-L296 HydrophobicContact CG-CD1 3.82Å; L292-L296 HydrophobicContact CG-CG 4.34Å; L292-L296 WeakPolarHBondContact O-CB 3.48Å; L292-L296 VanDerWaalsContact O-CG 3.23Å; L292-L296 WeakPolarHBondContact O-CG 3.23Å; L292-L296 PolarHBondContact O-N 3.09Å; I294-L296 VanDerWaalsContact C-N 3.33Å; I294-L296 PolarHBondContact O-N 3.21Å; L296-M301 HydrophobicContact CD2-CB 4.47Å; L296-M301 HydrophobicContact CD2-CG 4.4Å; L296-M301 VanDerWaalsContact O-CB 3.23Å; L296-M301 WeakPolarHBondContact O-CB 3.38Å; L296-M301 PolarHBondContact O-N 3.26Å; L296-R306 HydrophobicContact CB-CG 4.05Å; L296-R306 HydrophobicContact CD1-CG 4.42Å; L296-R306 HydrophobicContact CD2-CG 4.19Å; L296-R306 HydrophobicContact CG-CG 4.46Å; L296-V309 HydrophobicContact CD1-CG1 4.07Å; L296-V309 HydrophobicContact CD2-CG1 4.35Å; L296-V309 HydrophobicContact CD2-CG2 4.37Å; L296-F310 HydrophobicContact CD1-CE2 4.08Å; L296-F310 HydrophobicContact CD1-CZ 4.04Å
297K82.8Confident84.4Confident99 Ų9958.3 Ų58.343%0.4330%0.301SS..Hα-helixtrans-90-41.5173.1-71.5164.1173.7168.20112.7D293 I294 K295 L299 M300D293-K297 WeakPolarHBondContact O-CD 3.17Å; D293-K297 WeakPolarHBondContact O-CG 3.46Å; D293-K297 PolarHBondContact O-N 3.47Å; D293-K297 IonicContact OD1-NZ 3.21Å; D293-K297 WeakPolarHBondContact OD2-CE 3.38Å; D293-K297 IonicContact OD2-NZ 3.22Å; D293-K297 PolarHBondContact OD2-NZ 3.18Å; I294-K297 WeakPolarHBondContact O-CB 3.45Å; I294-K297 PolarHBondContact O-N 3.12Å; K295-K297 PolarHBondContact O-N 2.94Å; K297-L299 VanDerWaalsContact C-N 3.3Å; K297-L299 PolarHBondContact O-N 3.07Å; K297-M300 WeakPolarHBondContact O-CA 3.47Å; K297-M300 PolarHBondContact O-N 3.16Å
298E84.8Confident84.3Confident135 Ų13557 Ų5763%0.63129%0.291SS*.Hα-helixtrans-61.3-40.5178.4-71.3168.2161.300111.1I294 K295 M300I294-E298 HydrophobicContact CG2-CG 4.25Å; I294-E298 WeakPolarHBondContact CG2-OE1 3.4Å; I294-E298 WeakPolarHBondContact CG2-OE2 3.37Å; I294-E298 WeakPolarHBondContact O-CG 3.17Å; I294-E298 PolarHBondContact O-N 3.11Å; K295-E298 PolarHBondContact O-N 2.97Å; E298-M300 PolarHBondContact O-N 2.91Å; E298-M300 VanDerWaalsContact O-N 3.13Å
299L82.6Confident84.2Confident79 Ų7955.7 Ų55.741%0.41429%0.285SS..THydrogen-bonded Turntrans-76.612.8172.7-64.6163.7000113.4P257 I260 K295 K297 M301P257-L299 HydrophobicContact CB-CD1 4.11Å; P257-L299 HydrophobicContact CG-CD1 4.12Å; P257-L299 HydrophobicContact CG-CD2 4.49Å; I260-L299 HydrophobicContact CD1-CD1 3.56Å; I260-L299 HydrophobicContact CG1-CD1 3.97Å; K295-L299 WeakPolarHBondContact O-CB 3.34Å; K295-L299 WeakPolarHBondContact O-CG 3.31Å; K295-L299 PolarHBondContact O-N 3.15Å; K297-L299 VanDerWaalsContact C-N 3.3Å; K297-L299 PolarHBondContact O-N 3.07Å; L299-M301 PolarHBondContact O-N 3.16Å
300M77.3Confident84Confident174 Ų17456.1 Ų56.186%0.85729%0.287SS*.THydrogen-bonded Turntrans47.831.3178.7-56.8-168.275.200114.7K297 E298K297-M300 WeakPolarHBondContact O-CA 3.47Å; K297-M300 PolarHBondContact O-N 3.16Å; E298-M300 PolarHBondContact O-N 2.91Å; E298-M300 VanDerWaalsContact O-N 3.13Å
301M76.5Confident83.8Confident36 Ų3655.7 Ų55.718%0.17729%0.286CS..  trans-68.2140.8-163.7-167.454.769.400112.4L256 L296 L299 V305 R306L256-M301 HydrophobicContact CD2-CE 4.45Å; L296-M301 HydrophobicContact CD2-CB 4.47Å; L296-M301 HydrophobicContact CD2-CG 4.4Å; L296-M301 VanDerWaalsContact O-CB 3.23Å; L296-M301 WeakPolarHBondContact O-CB 3.38Å; L296-M301 PolarHBondContact O-N 3.26Å; L299-M301 PolarHBondContact O-N 3.16Å; M301-V305 HydrophobicContact CG-CB 3.8Å; M301-V305 HydrophobicContact CG-CG1 3.65Å; M301-V305 HydrophobicContact SD-CB 3.79Å; M301-V305 HydrophobicContact SD-CG1 3.57Å; M301-V305 VanDerWaalsContact SD-CG1 3.57Å; M301-V305 HydrophobicContact SD-CG2 4.29Å; M301-R306 HydrophobicContact CB-CG 4Å; M301-R306 HydrophobicContact CG-CG 4.15Å; M301-R306 PolarHBondContact O-NE 3.29Å
302S79.8Confident83.5Confident61 Ų6154.4 Ų54.443%0.42728%0.279SS..  trans-61.4153.7-173.886.20000112.4S304 V305 R306S302-S304 PolarHBondContact O-N 3Å; S302-V305 PolarHBondContact O-N 3.07Å; S302-V305 WeakPolarHBondContact OG-CG2 3.18Å; S302-V305 PolarHBondContact OG-N 3.34Å; S302-R306 WeakPolarHBondContact O-CB 3.41Å; S302-R306 WeakPolarHBondContact O-CG 3.28Å; S302-R306 PolarHBondContact O-N 2.88Å
303Q81.4Confident83.3Confident125 Ų12554.4 Ų54.458%0.58428%0.279SS*.Hα-helixtrans-66.1-24.2-179-175.354.672.600112.7R306 S307Q303-R306 VanDerWaalsContact OE1-CZ 3.32Å; Q303-R306 VanDerWaalsContact OE1-NH2 3.08Å; Q303-S307 WeakPolarHBondContact O-CB 3.41Å; Q303-S307 PolarHBondContact O-N 3.02Å
304S82.1Confident83Confident74 Ų7457 Ų5752%0.51729%0.291SS..Hα-helixtrans-67.6-61.6168.1-166.40000109.9S302 R306 S307 D308S302-S304 PolarHBondContact O-N 3Å; S304-R306 CarbonylContact O-C 3.58Å; S304-R306 PolarHBondContact O-N 3.12Å; S304-R306 VanDerWaalsContact O-N 3.08Å; S304-S307 CarbonylContact O-C 3.58Å; S304-S307 VanDerWaalsContact O-CA 3.25Å; S304-S307 WeakPolarHBondContact O-CA 3.39Å; S304-S307 WeakPolarHBondContact O-CB 3.35Å; S304-S307 PolarHBondContact O-N 2.85Å; S304-D308 VanDerWaalsContact O-CG 3.25Å; S304-D308 PolarHBondContact O-N 3.05Å; S304-D308 PolarHBondContact OG-OD2 2.88Å
305V82.4Confident82.5Confident32 Ų3257.5 Ų57.519%0.19430%0.299CS..Hα-helixtrans-59.3-33.2-173.8177.80000111.8L256 M301 S302 D308 V309L256-V305 HydrophobicContact CD2-CG1 3.95Å; L256-V305 HydrophobicContact CG-CG1 4.46Å; M301-V305 HydrophobicContact CG-CB 3.8Å; M301-V305 HydrophobicContact CG-CG1 3.65Å; M301-V305 HydrophobicContact SD-CB 3.79Å; M301-V305 HydrophobicContact SD-CG1 3.57Å; M301-V305 VanDerWaalsContact SD-CG1 3.57Å; M301-V305 HydrophobicContact SD-CG2 4.29Å; S302-V305 PolarHBondContact O-N 3.07Å; S302-V305 WeakPolarHBondContact OG-CG2 3.18Å; S302-V305 PolarHBondContact OG-N 3.34Å; V305-D308 WeakPolarHBondContact CA-OD2 3.43Å; V305-D308 PolarHBondContact N-OD2 3.03Å; V305-D308 PolarHBondContact O-N 2.69Å; V305-V309 HydrophobicContact CG1-CG2 4.37Å; V305-V309 WeakPolarHBondContact O-CB 3.23Å; V305-V309 VanDerWaalsContact O-CG2 3.25Å; V305-V309 WeakPolarHBondContact O-CG2 3.41Å; V305-V309 PolarHBondContact O-N 3.47Å
306R84.8Confident81.9Confident61 Ų6159.5 Ų59.523%0.2331%0.308CS..Hα-helixtrans-63.4-42.1169.7-71.9-170.4-77.1104.71.9113L296 M301 S302 Q303 S304 D308 F310L296-R306 HydrophobicContact CB-CG 4.05Å; L296-R306 HydrophobicContact CD1-CG 4.42Å; L296-R306 HydrophobicContact CD2-CG 4.19Å; L296-R306 HydrophobicContact CG-CG 4.46Å; M301-R306 HydrophobicContact CB-CG 4Å; M301-R306 HydrophobicContact CG-CG 4.15Å; M301-R306 PolarHBondContact O-NE 3.29Å; S302-R306 WeakPolarHBondContact O-CB 3.41Å; S302-R306 WeakPolarHBondContact O-CG 3.28Å; S302-R306 PolarHBondContact O-N 2.88Å; Q303-R306 VanDerWaalsContact OE1-CZ 3.32Å; Q303-R306 VanDerWaalsContact OE1-NH2 3.08Å; S304-R306 CarbonylContact O-C 3.58Å; S304-R306 PolarHBondContact O-N 3.12Å; S304-R306 VanDerWaalsContact O-N 3.08Å; R306-D308 VanDerWaalsContact C-N 3.33Å; R306-F310 WeakPolarHBondContact O-CD2 3.33Å; R306-F310 PolarHBondContact O-N 2.89Å; R306-F310 VanDerWaalsContact O-N 3.08Å
307S83.4Confident81.3Confident41 Ų4159.6 Ų59.629%0.28731%0.309SS..Hα-helixtrans-65.6-34.7172.8-1690000112.5Q303 S304 S311Q303-S307 WeakPolarHBondContact O-CB 3.41Å; Q303-S307 PolarHBondContact O-N 3.02Å; S304-S307 CarbonylContact O-C 3.58Å; S304-S307 VanDerWaalsContact O-CA 3.25Å; S304-S307 WeakPolarHBondContact O-CA 3.39Å; S304-S307 WeakPolarHBondContact O-CB 3.35Å; S304-S307 PolarHBondContact O-N 2.85Å; S307-S311 VanDerWaalsContact O-CB 3.3Å; S307-S311 WeakPolarHBondContact O-CB 3.11Å; S307-S311 PolarHBondContact O-N 3.04Å; S307-S311 PolarHBondContact O-OG 2.89Å
308D84.6Confident80.8Confident62 Ų6262.3 Ų62.333%0.33232%0.323SS..Hα-helixtrans-71.8-42.8179.4-57.5-43.8000110.7P253 S304 V305 R306 F310 S311 Y312P253-D308 HydrophobicContact CG-CB 4.16Å; S304-D308 VanDerWaalsContact O-CG 3.25Å; S304-D308 PolarHBondContact O-N 3.05Å; S304-D308 PolarHBondContact OG-OD2 2.88Å; V305-D308 WeakPolarHBondContact CA-OD2 3.43Å; V305-D308 PolarHBondContact N-OD2 3.03Å; V305-D308 PolarHBondContact O-N 2.69Å; R306-D308 VanDerWaalsContact C-N 3.33Å; D308-F310 PolarHBondContact O-N 3.34Å; D308-S311 CarbonylContact O-C 3.57Å; D308-S311 WeakPolarHBondContact O-CB 3.26Å; D308-S311 PolarHBondContact O-N 2.95Å; D308-S311 VanDerWaalsContact O-N 3.11Å; D308-Y312 PolarHBondContact O-N 3.14Å
309V85.1Confident80.2Confident0 Ų057.2 Ų57.20%030%0.3CS..Hα-helixtrans-60.1-43.7171.4169.20000112L256 I260 L264 L292 L296 V305 S311 Y312 L313L256-V309 HydrophobicContact CD1-CG2 3.65Å; L256-V309 HydrophobicContact CD2-CG2 3.89Å; L256-V309 HydrophobicContact CG-CG2 4.46Å; I260-V309 HydrophobicContact CG2-CG1 4.44Å; L264-V309 HydrophobicContact CD1-CG1 4.22Å; L264-V309 HydrophobicContact CD2-CG1 3.87Å; L292-V309 HydrophobicContact CD1-CG1 4.48Å; L292-V309 HydrophobicContact CD2-CG1 4.44Å; L296-V309 HydrophobicContact CD1-CG1 4.07Å; L296-V309 HydrophobicContact CD2-CG1 4.35Å; L296-V309 HydrophobicContact CD2-CG2 4.37Å; V305-V309 HydrophobicContact CG1-CG2 4.37Å; V305-V309 WeakPolarHBondContact O-CB 3.23Å; V305-V309 VanDerWaalsContact O-CG2 3.25Å; V305-V309 WeakPolarHBondContact O-CG2 3.41Å; V305-V309 PolarHBondContact O-N 3.47Å; V309-S311 VanDerWaalsContact C-N 3.32Å; V309-Y312 PolarHBondContact O-N 3.21Å; V309-L313 PolarHBondContact O-N 3.15Å; V309-L313 VanDerWaalsContact O-N 3.11Å
310F85.8Confident80.2Confident10 Ų1060.1 Ų60.14%0.04431%0.31CS..Hα-helixtrans-72.3-23.4174.3-71.9-60.4000113.5L289 L292 L296 R306 D308 L313 E314 V324 L325 L328L289-F310 HydrophobicContact CD1-CE1 4.21Å; L292-F310 HydrophobicContact CD2-CE1 4.28Å; L296-F310 HydrophobicContact CD1-CE2 4.08Å; L296-F310 HydrophobicContact CD1-CZ 4.04Å; R306-F310 WeakPolarHBondContact O-CD2 3.33Å; R306-F310 PolarHBondContact O-N 2.89Å; R306-F310 VanDerWaalsContact O-N 3.08Å; D308-F310 PolarHBondContact O-N 3.34Å; F310-L313 HydrophobicContact CD1-CD1 4Å; F310-L313 HydrophobicContact CE1-CD1 4.35Å; F310-E314 PolarHBondContact O-N 3.3Å; F310-V324 HydrophobicContact CD1-CG1 4.15Å; F310-V324 HydrophobicContact CE1-CG1 4.44Å; F310-L325 HydrophobicContact CD2-CD2 4.02Å; F310-L325 HydrophobicContact CE2-CD2 4.18Å; F310-L325 HydrophobicContact CG-CD2 4.31Å; F310-L328 HydrophobicContact CE1-CD2 3.92Å; F310-L328 HydrophobicContact CE2-CD2 4.31Å; F310-L328 HydrophobicContact CZ-CD2 3.5Å
311S83.3Confident80.3Confident16 Ų1653.7 Ų53.711%0.11228%0.277CS..Hα-helixtrans-75.2-33.4171.8-63.80000112.7S307 D308 V309 E314 S315S307-S311 VanDerWaalsContact O-CB 3.3Å; S307-S311 WeakPolarHBondContact O-CB 3.11Å; S307-S311 PolarHBondContact O-N 3.04Å; S307-S311 PolarHBondContact O-OG 2.89Å; D308-S311 CarbonylContact O-C 3.57Å; D308-S311 WeakPolarHBondContact O-CB 3.26Å; D308-S311 PolarHBondContact O-N 2.95Å; D308-S311 VanDerWaalsContact O-N 3.11Å; V309-S311 VanDerWaalsContact C-N 3.32Å; S311-E314 PolarHBondContact O-N 2.84Å; S311-S315 PolarHBondContact O-N 2.88Å
312Y82.6Confident80.6Confident46 Ų4659.6 Ų59.618%0.1830%0.302CS..Hα-helixtrans-62.9-47.8168.7177.7-94.1000110.2K250 L252 L264 D308 V309 E314 S315 H316K250-Y312 WeakPolarHBondContact O-CD2 3.41Å; L252-Y312 HydrophobicContact CB-CD2 4.14Å; L252-Y312 HydrophobicContact CB-CE2 4.2Å; L252-Y312 HydrophobicContact CD1-CD1 3.81Å; L252-Y312 HydrophobicContact CD1-CD2 3.85Å; L252-Y312 HydrophobicContact CD1-CE1 4.3Å; L252-Y312 HydrophobicContact CD1-CE2 4.34Å; L252-Y312 HydrophobicContact CD1-CG 3.57Å; L264-Y312 HydrophobicContact CD1-CD1 4.29Å; D308-Y312 PolarHBondContact O-N 3.14Å; V309-Y312 PolarHBondContact O-N 3.21Å; Y312-E314 VanDerWaalsContact C-N 3.32Å; Y312-E314 PolarHBondContact O-N 3.43Å; Y312-S315 PolarHBondContact O-N 3.44Å; Y312-S315 VanDerWaalsContact O-N 3.08Å; Y312-S315 PolarHBondContact O-OG 3.31Å; Y312-H316 AromaticContact CZ-ND1 3.96Å; Y312-H316 PolarHBondContact O-N 2.89Å; Y312-H316 VanDerWaalsContact O-N 3.08Å
313L83Confident80.9Confident0 Ų058.1 Ų58.10%029%0.293CS..Hα-helixtrans-59.1-37.7173.8-75.6-179.8000113.5L264 L267 L292 V309 F310 S315 H316 L317L264-L313 HydrophobicContact CD2-CD1 3.82Å; L264-L313 HydrophobicContact CD2-CD2 3.54Å; L264-L313 HydrophobicContact CD2-CG 3.56Å; L267-L313 HydrophobicContact CB-CD2 4.31Å; L267-L313 HydrophobicContact CD1-CD1 4.07Å; L267-L313 HydrophobicContact CD1-CD2 4.33Å; L292-L313 HydrophobicContact CD2-CD1 3.56Å; V309-L313 PolarHBondContact O-N 3.15Å; V309-L313 VanDerWaalsContact O-N 3.11Å; F310-L313 HydrophobicContact CD1-CD1 4Å; F310-L313 HydrophobicContact CE1-CD1 4.35Å; L313-S315 VanDerWaalsContact C-N 3.29Å; L313-S315 PolarHBondContact O-N 2.95Å; L313-H316 PolarHBondContact O-N 3.31Å; L313-L317 HydrophobicContact CB-CD1 4.06Å; L313-L317 HydrophobicContact CB-CG 4.44Å; L313-L317 HydrophobicContact CD2-CD1 3.99Å; L313-L317 HydrophobicContact CD2-CG 4.16Å; L313-L317 HydrophobicContact CG-CD1 4.45Å; L313-L317 WeakPolarHBondContact O-CB 3.37Å; L313-L317 VanDerWaalsContact O-CG 3.28Å; L313-L317 WeakPolarHBondContact O-CG 3.46Å; L313-L317 PolarHBondContact O-N 3.05Å
314E81.3Confident81.1Confident67 Ų6752.2 Ų52.231%0.31327%0.266SS..Hα-helixtrans-57-43.1173.4172.3170.3-121.900111.8F310 S311 Y312 L319 K320 H321F310-E314 PolarHBondContact O-N 3.3Å; S311-E314 PolarHBondContact O-N 2.84Å; Y312-E314 VanDerWaalsContact C-N 3.32Å; Y312-E314 PolarHBondContact O-N 3.43Å; E314-L319 WeakPolarHBondContact CA-O 3.43Å; E314-K320 WeakPolarHBondContact OE1-CA 3.42Å; E314-H321 HydrophobicContact CB-CB 4.16Å; E314-H321 VanDerWaalsContact CD-N 3.32Å; E314-H321 HydrophobicContact CG-CB 4.36Å; E314-H321 WeakPolarHBondContact OE1-CB 3.3Å; E314-H321 PolarHBondContact OE1-N 3.05Å
315S76.9Confident81.2Confident60 Ų6052.1 Ų52.142%0.4226%0.259SS..Hα-helixtrans-69.8-34178.674.90000113.9S311 Y312 L313S311-S315 PolarHBondContact O-N 2.88Å; Y312-S315 PolarHBondContact O-N 3.44Å; Y312-S315 VanDerWaalsContact O-N 3.08Å; Y312-S315 PolarHBondContact O-OG 3.31Å; L313-S315 VanDerWaalsContact C-N 3.29Å; L313-S315 PolarHBondContact O-N 2.95Å
316H72.7Confident81.4Confident71 Ų7158.3 Ų58.333%0.32928%0.279SS..Hα-helixtrans-94.2-23.3-174.2-137.4113.8000114T268 Y312 L313T268-H316 WeakPolarHBondContact CG2-CD2 3.37Å; T268-H316 WeakPolarHBondContact CG2-NE2 3.37Å; Y312-H316 AromaticContact CZ-ND1 3.96Å; Y312-H316 PolarHBondContact O-N 2.89Å; Y312-H316 VanDerWaalsContact O-N 3.08Å; L313-H316 PolarHBondContact O-N 3.31Å
317L74.4Confident81.5Confident2 Ų258.1 Ų58.11%0.0128%0.278CS..Hα-helixtrans-95.7-11.8-178.3-61.7-179.3000114.4L267 N271 F285 L313 L319L267-L317 WeakPolarHBondContact O-CD2 3.31Å; N271-L317 HydrophobicContact CB-CD2 3.65Å; N271-L317 WeakPolarHBondContact ND2-CA 3.42Å; N271-L317 PolarHBondContact ND2-O 3.33Å; F285-L317 HydrophobicContact CE2-CD1 3.85Å; F285-L317 HydrophobicContact CE2-CD2 4.03Å; F285-L317 HydrophobicContact CZ-CD1 3.8Å; L313-L317 HydrophobicContact CB-CD1 4.06Å; L313-L317 HydrophobicContact CB-CG 4.44Å; L313-L317 HydrophobicContact CD2-CD1 3.99Å; L313-L317 HydrophobicContact CD2-CG 4.16Å; L313-L317 HydrophobicContact CG-CD1 4.45Å; L313-L317 WeakPolarHBondContact O-CB 3.37Å; L313-L317 VanDerWaalsContact O-CG 3.28Å; L313-L317 WeakPolarHBondContact O-CG 3.46Å; L313-L317 PolarHBondContact O-N 3.05Å; L317-L319 HydrophobicContact CB-CB 4.13Å; L317-L319 HydrophobicContact CB-CD1 4.13Å; L317-L319 HydrophobicContact CB-CG 4.03Å; L317-L319 HydrophobicContact CD1-CD1 4.19Å; L317-L319 PolarHBondContact O-N 3.39Å; L317-L319 VanDerWaalsContact O-N 3.17Å
318Q72.7Confident81.7Confident156 Ų15656.2 Ų56.273%0.72927%0.265SS*.SBendtrans59.413.4-166.1-50.8-1800.600113.9
319L72.5Confident81.9Confident28 Ų2858 Ų5815%0.14727%0.27CS..  trans-100120.8177.8-64176.5000109.7L281 F285 E314 L317 H321 V324L281-L319 HydrophobicContact CD1-CD1 3.67Å; L281-L319 HydrophobicContact CD1-CD2 4.1Å; L281-L319 HydrophobicContact CD1-CG 4.44Å; F285-L319 HydrophobicContact CZ-CD1 4.05Å; E314-L319 WeakPolarHBondContact CA-O 3.43Å; L317-L319 HydrophobicContact CB-CB 4.13Å; L317-L319 HydrophobicContact CB-CD1 4.13Å; L317-L319 HydrophobicContact CB-CG 4.03Å; L317-L319 HydrophobicContact CD1-CD1 4.19Å; L317-L319 PolarHBondContact O-N 3.39Å; L317-L319 VanDerWaalsContact O-N 3.17Å; L319-H321 PolarHBondContact O-N 2.96Å; L319-V324 HydrophobicContact CB-CG2 3.64Å; L319-V324 HydrophobicContact CD1-CG2 4.17Å
320K82.4Confident82Confident141 Ų14163.1 Ų63.161%0.61329%0.289SS*.  trans-50.8136.8174.5-67.8172.3-178.9167.90110.3E314 K322 A323 V324E314-K320 WeakPolarHBondContact OE1-CA 3.42Å; K320-K322 PolarHBondContact O-N 3.45Å; K320-K322 VanDerWaalsContact O-N 3.1Å; K320-A323 HydrophobicContact CB-CB 4.48Å; K320-A323 WeakPolarHBondContact O-CA 3.49Å; K320-A323 VanDerWaalsContact O-CB 3.27Å; K320-A323 WeakPolarHBondContact O-CB 3.43Å; K320-A323 PolarHBondContact O-N 3.21Å; K320-V324 PolarHBondContact O-N 2.86Å; K320-V324 VanDerWaalsContact O-N 3.17Å
321H78.5Confident82.2Confident39 Ų3963.9 Ų63.918%0.18129%0.293CS..Hα-helixtrans-50.4-41.9-177.6172.3-150.4000111.9E314 L319 A323 V324 L325E314-H321 HydrophobicContact CB-CB 4.16Å; E314-H321 VanDerWaalsContact CD-N 3.32Å; E314-H321 HydrophobicContact CG-CB 4.36Å; E314-H321 WeakPolarHBondContact OE1-CB 3.3Å; E314-H321 PolarHBondContact OE1-N 3.05Å; L319-H321 PolarHBondContact O-N 2.96Å; H321-A323 VanDerWaalsContact C-N 3.31Å; H321-A323 PolarHBondContact O-N 3.28Å; H321-V324 PolarHBondContact O-N 3.13Å; H321-L325 WeakPolarHBondContact NE2-CD1 3.38Å; H321-L325 WeakPolarHBondContact O-CG 3.18Å; H321-L325 PolarHBondContact O-N 3.47Å
322K83.9Confident82.5Confident160 Ų16065.5 Ų65.570%0.69630%0.298SS*.Hα-helixtrans-64.8-28175.6-67.2179.8-180174.30113.8K320 R326K320-K322 PolarHBondContact O-N 3.45Å; K320-K322 VanDerWaalsContact O-N 3.1Å; K322-R326 WeakPolarHBondContact O-CB 3.22Å; K322-R326 WeakPolarHBondContact O-CD 3.17Å; K322-R326 WeakPolarHBondContact O-CG 3.33Å; K322-R326 PolarHBondContact O-N 2.99Å; K322-R326 VanDerWaalsContact O-N 3.15Å
323A85Confident82.7Confident29 Ų2966.7 Ų66.724%0.2431%0.305CS..Hα-helixtrans-75.7-45.8174.600000111.2K320 H321 L325 R326 R327K320-A323 HydrophobicContact CB-CB 4.48Å; K320-A323 WeakPolarHBondContact O-CA 3.49Å; K320-A323 VanDerWaalsContact O-CB 3.27Å; K320-A323 WeakPolarHBondContact O-CB 3.43Å; K320-A323 PolarHBondContact O-N 3.21Å; H321-A323 VanDerWaalsContact C-N 3.31Å; H321-A323 PolarHBondContact O-N 3.28Å; A323-L325 VanDerWaalsContact C-N 3.34Å; A323-L325 PolarHBondContact O-N 2.92Å; A323-R326 PolarHBondContact O-N 3.35Å; A323-R326 VanDerWaalsContact O-N 3.16Å; A323-R327 WeakPolarHBondContact O-CB 3.48Å; A323-R327 PolarHBondContact O-N 3.32Å
324V85.2Confident82.9Confident1 Ų170.8 Ų70.81%0.00633%0.327CS..Hα-helixtrans-56.9-47.1174.5-177.50000110.7L289 F310 L319 K320 H321 R326 R327 L328L289-V324 HydrophobicContact CD1-CG1 3.81Å; L289-V324 HydrophobicContact CD2-CG1 4.22Å; F310-V324 HydrophobicContact CD1-CG1 4.15Å; F310-V324 HydrophobicContact CE1-CG1 4.44Å; L319-V324 HydrophobicContact CB-CG2 3.64Å; L319-V324 HydrophobicContact CD1-CG2 4.17Å; K320-V324 PolarHBondContact O-N 2.86Å; K320-V324 VanDerWaalsContact O-N 3.17Å; H321-V324 PolarHBondContact O-N 3.13Å; V324-R326 PolarHBondContact O-N 3.14Å; V324-R327 PolarHBondContact O-N 2.82Å; V324-L328 WeakPolarHBondContact O-CB 3.36Å; V324-L328 PolarHBondContact O-N 3.36Å
325L85.5Confident83.3Confident72 Ų7272.5 Ų72.538%0.37733%0.334SS..Hα-helixtrans-64.9-35.8176.6-71.1-179000113.8F310 H321 A323 L328 K329F310-L325 HydrophobicContact CD2-CD2 4.02Å; F310-L325 HydrophobicContact CE2-CD2 4.18Å; F310-L325 HydrophobicContact CG-CD2 4.31Å; H321-L325 WeakPolarHBondContact NE2-CD1 3.38Å; H321-L325 WeakPolarHBondContact O-CG 3.18Å; H321-L325 PolarHBondContact O-N 3.47Å; A323-L325 VanDerWaalsContact C-N 3.34Å; A323-L325 PolarHBondContact O-N 2.92Å; L325-L328 HydrophobicContact CD2-CD2 4.45Å; L325-K329 PolarHBondContact O-N 2.91Å
326R85Confident83.8Confident163 Ų16370.3 Ų70.362%0.61532%0.317SS*.Hα-helixtrans-65.9-46.3174.2-79.7167-178.9-175.2-0.8111.6K322 A323 V324 K329 R330K322-R326 WeakPolarHBondContact O-CB 3.22Å; K322-R326 WeakPolarHBondContact O-CD 3.17Å; K322-R326 WeakPolarHBondContact O-CG 3.33Å; K322-R326 PolarHBondContact O-N 2.99Å; K322-R326 VanDerWaalsContact O-N 3.15Å; A323-R326 PolarHBondContact O-N 3.35Å; A323-R326 VanDerWaalsContact O-N 3.16Å; V324-R326 PolarHBondContact O-N 3.14Å; R326-K329 WeakPolarHBondContact O-CB 3.48Å; R326-K329 PolarHBondContact O-N 3.5Å; R326-K329 VanDerWaalsContact O-N 3.15Å; R326-R330 PolarHBondContact O-N 2.88Å
327R87.2Confident84.5Confident56 Ų5671.7 Ų71.721%0.21132%0.323CS..Hα-helixtrans-61.4-48.5177-172.2169.8-178.7123.82.8110.6L281 D286 L289 A323 V324 K329 R330 L331L281-R327 PolarHBondContact O-NH2 3.44Å; D286-R327 IonicContact OD1-CZ 3.19Å; D286-R327 IonicContact OD1-NE 2.7Å; D286-R327 PolarHBondContact OD1-NE 2.85Å; D286-R327 IonicContact OD1-NH2 2.82Å; D286-R327 PolarHBondContact OD1-NH2 3.4Å; D286-R327 IonicContact OD2-CZ 3.91Å; D286-R327 IonicContact OD2-NH2 2.86Å; D286-R327 PolarHBondContact OD2-NH2 3Å; L289-R327 HydrophobicContact CD2-CG 4.5Å; A323-R327 WeakPolarHBondContact O-CB 3.48Å; A323-R327 PolarHBondContact O-N 3.32Å; V324-R327 PolarHBondContact O-N 2.82Å; R327-K329 VanDerWaalsContact C-N 3.26Å; R327-K329 PolarHBondContact O-N 2.92Å; R327-R330 WeakPolarHBondContact O-CB 3.44Å; R327-R330 PolarHBondContact O-N 3.2Å; R327-L331 HydrophobicContact CG-CD1 4.41Å; R327-L331 WeakPolarHBondContact O-CG 3.48Å; R327-L331 PolarHBondContact O-N 3.4Å
328L89.1Confident85.2Confident1 Ų178.2 Ų78.21%0.00535%0.354CS..Hα-helixtrans-59.8-31173.4177.360.6000113.3L289 L290 D293 F310 V324 L325 K332L289-L328 HydrophobicContact CD2-CB 4.33Å; L289-L328 HydrophobicContact CG-CB 4.41Å; L289-L328 HydrophobicContact CG-CD1 4.31Å; L290-L328 HydrophobicContact CD1-CD1 4.09Å; D293-L328 HydrophobicContact CB-CD1 3.67Å; D293-L328 HydrophobicContact CB-CD2 3.9Å; D293-L328 HydrophobicContact CB-CG 4.32Å; F310-L328 HydrophobicContact CE1-CD2 3.92Å; F310-L328 HydrophobicContact CE2-CD2 4.31Å; F310-L328 HydrophobicContact CZ-CD2 3.5Å; V324-L328 WeakPolarHBondContact O-CB 3.36Å; V324-L328 PolarHBondContact O-N 3.36Å; L325-L328 HydrophobicContact CD2-CD2 4.45Å; L328-K332 VanDerWaalsContact O-CD 3.28Å; L328-K332 WeakPolarHBondContact O-CD 3.27Å; L328-K332 VanDerWaalsContact O-CG 3.25Å; L328-K332 WeakPolarHBondContact O-CG 3.45Å; L328-K332 PolarHBondContact O-N 2.9Å
329K87.6Confident86Confident100 Ų10077.1 Ų77.144%0.43534%0.343SS..Hα-helixtrans-67.4-47.8170.8-164.2-154.9172.9-118.50111.2L325 R326 R327 L331 K332 E333L325-K329 PolarHBondContact O-N 2.91Å; R326-K329 WeakPolarHBondContact O-CB 3.48Å; R326-K329 PolarHBondContact O-N 3.5Å; R326-K329 VanDerWaalsContact O-N 3.15Å; R327-K329 VanDerWaalsContact C-N 3.26Å; R327-K329 PolarHBondContact O-N 2.92Å; K329-L331 PolarHBondContact O-N 3.44Å; K329-K332 PolarHBondContact O-N 3.18Å; K329-E333 IonicContact NZ-OE2 2.68Å; K329-E333 PolarHBondContact NZ-OE2 2.89Å; K329-E333 PolarHBondContact O-N 3.1Å; K329-E333 VanDerWaalsContact O-N 3.14Å
330R87.6Confident87Confident108 Ų10876 Ų7641%0.40834%0.337SS..Hα-helixtrans-53.5-53.5176-70.9176.8169.4167.2-3.9110.6D201 R326 R327 K332 E333 D334D201-R330 IonicContact OD1-CZ 2.82Å; D201-R330 IonicContact OD1-NH1 3.41Å; D201-R330 PolarHBondContact OD1-NH1 3.05Å; D201-R330 IonicContact OD1-NH2 2.72Å; D201-R330 PolarHBondContact OD1-NH2 2.77Å; D201-R330 IonicContact OD2-CZ 2.7Å; D201-R330 IonicContact OD2-NH1 3.42Å; D201-R330 IonicContact OD2-NH2 3.31Å; D201-R330 PolarHBondContact OD2-NH2 2.93Å; R326-R330 PolarHBondContact O-N 2.88Å; R327-R330 WeakPolarHBondContact O-CB 3.44Å; R327-R330 PolarHBondContact O-N 3.2Å; R330-K332 PolarHBondContact O-N 3.2Å; R330-E333 CarbonylContact O-C 3.47Å; R330-E333 WeakPolarHBondContact O-CA 3.38Å; R330-E333 WeakPolarHBondContact O-CB 3.49Å; R330-E333 PolarHBondContact O-N 2.94Å; R330-D334 PolarHBondContact O-N 2.69Å; R330-D334 VanDerWaalsContact O-OD2 3.11Å
331L90.1Very high87.5Confident26 Ų2672.4 Ų72.414%0.13633%0.325CS..Hα-helixtrans-57.5-28.2-179.8-63.6174.3000114.9D286 L289 L290 R327 K329 D334 K335D286-L331 HydrophobicContact CB-CD1 3.69Å; D286-L331 HydrophobicContact CB-CD2 3.67Å; D286-L331 HydrophobicContact CB-CG 4.33Å; L289-L331 HydrophobicContact CD2-CD1 4.22Å; L290-L331 HydrophobicContact CD1-CB 4.49Å; L290-L331 HydrophobicContact CD2-CB 4.39Å; R327-L331 HydrophobicContact CG-CD1 4.41Å; R327-L331 WeakPolarHBondContact O-CG 3.48Å; R327-L331 PolarHBondContact O-N 3.4Å; K329-L331 PolarHBondContact O-N 3.44Å; L331-D334 PolarHBondContact N-OD2 3.03Å; L331-K335 WeakPolarHBondContact O-CB 3.29Å; L331-K335 PolarHBondContact O-N 2.73Å
332K88.5Confident88.2Confident49 Ų4974.2 Ų74.221%0.21334%0.34CS..Hα-helixtrans-76.2-38.5173.3-68.5161.3-178.4172.70112.1L290 D293 L328 K329 R330 Q336 L439L290-K332 HydrophobicContact CD1-CG 3.72Å; D293-K332 WeakPolarHBondContact OD1-CE 3.29Å; D293-K332 IonicContact OD1-NZ 3.49Å; D293-K332 PolarHBondContact OD1-NZ 2.95Å; D293-K332 WeakPolarHBondContact OD2-CE 3.37Å; D293-K332 IonicContact OD2-NZ 2.63Å; D293-K332 PolarHBondContact OD2-NZ 3.27Å; D293-K332 VanDerWaalsContact OD2-NZ 3.12Å; L328-K332 VanDerWaalsContact O-CD 3.28Å; L328-K332 WeakPolarHBondContact O-CD 3.27Å; L328-K332 VanDerWaalsContact O-CG 3.25Å; L328-K332 WeakPolarHBondContact O-CG 3.45Å; L328-K332 PolarHBondContact O-N 2.9Å; K329-K332 PolarHBondContact O-N 3.18Å; R330-K332 PolarHBondContact O-N 3.2Å; K332-Q336 VanDerWaalsContact O-CB 3.29Å; K332-Q336 WeakPolarHBondContact O-CB 3.46Å; K332-Q336 PolarHBondContact O-N 3.28Å; K332-Q336 VanDerWaalsContact O-N 3.16Å; K332-L439 HydrophobicContact CB-CD2 3.5Å
333E88.1Confident88.7Confident71 Ų7168.6 Ų68.633%0.33232%0.317SS..Hα-helixtrans-66.6-47.5175.8-158.5154.4179.900109.4K329 R330 Q336 E337 L439K329-E333 IonicContact NZ-OE2 2.68Å; K329-E333 PolarHBondContact NZ-OE2 2.89Å; K329-E333 PolarHBondContact O-N 3.1Å; K329-E333 VanDerWaalsContact O-N 3.14Å; R330-E333 CarbonylContact O-C 3.47Å; R330-E333 WeakPolarHBondContact O-CA 3.38Å; R330-E333 WeakPolarHBondContact O-CB 3.49Å; R330-E333 PolarHBondContact O-N 2.94Å; E333-Q336 PolarHBondContact O-N 3.3Å; E333-E337 PolarHBondContact O-N 3.42Å; E333-L439 HydrophobicContact CB-CD1 4.25Å; E333-L439 HydrophobicContact CB-CD2 4.48Å; E333-L439 HydrophobicContact CG-CD1 4.04Å
334D87.7Confident89.2Confident86 Ų8668.3 Ų68.346%0.4631%0.312SS..Hα-helixtrans-59.4-48.3175-53.5-32.9000112.4R330 L331 Q336 E337 Q338R330-D334 PolarHBondContact O-N 2.69Å; R330-D334 VanDerWaalsContact O-OD2 3.11Å; L331-D334 PolarHBondContact N-OD2 3.03Å; D334-Q336 VanDerWaalsContact C-N 3.26Å; D334-Q336 PolarHBondContact O-N 2.91Å; D334-E337 PolarHBondContact O-N 3.28Å; D334-Q338 WeakPolarHBondContact O-CB 3.37Å; D334-Q338 PolarHBondContact O-N 3.23Å
335K88.6Confident89.7Confident103 Ų10372.9 Ų72.945%0.44834%0.336SS..Hα-helixtrans-61.2-35177174.5170.9175.6175.10112.2L290 L331 Q338 R339L290-K335 HydrophobicContact CD2-CB 4.08Å; L290-K335 HydrophobicContact CD2-CD 3.63Å; L290-K335 HydrophobicContact CD2-CG 4.44Å; L290-K335 HydrophobicContact CG-CD 4.48Å; L331-K335 WeakPolarHBondContact O-CB 3.29Å; L331-K335 PolarHBondContact O-N 2.73Å; K335-Q338 PolarHBondContact O-N 3.37Å; K335-R339 PolarHBondContact O-N 3.19Å
336Q87.8Confident90.2Very high14 Ų1471.1 Ų71.17%0.06533%0.332CS..Hα-helixtrans-79.5-31.2-179-174.164.913.300112K332 E333 D334 R339 M340 C431 S435K332-Q336 VanDerWaalsContact O-CB 3.29Å; K332-Q336 WeakPolarHBondContact O-CB 3.46Å; K332-Q336 PolarHBondContact O-N 3.28Å; K332-Q336 VanDerWaalsContact O-N 3.16Å; E333-Q336 PolarHBondContact O-N 3.3Å; D334-Q336 VanDerWaalsContact C-N 3.26Å; D334-Q336 PolarHBondContact O-N 2.91Å; Q336-R339 PolarHBondContact O-N 2.98Å; Q336-M340 PolarHBondContact O-N 2.88Å; Q336-C431 PolarHBondContact NE2-O 2.93Å; Q336-S435 VanDerWaalsContact CG-CB 3.48Å; Q336-S435 WeakPolarHBondContact CG-OG 3.48Å; Q336-S435 PolarHBondContact NE2-OG 3.3Å
337E87.5Confident90.8Very high100 Ų10063.3 Ų63.347%0.46730%0.302SS..Hα-helixtrans-67.1-41.6166.3-173.3152.4-12400111.1E333 D334 R339 M340 N341E333-E337 PolarHBondContact O-N 3.42Å; D334-E337 PolarHBondContact O-N 3.28Å; E337-R339 VanDerWaalsContact C-N 3.27Å; E337-R339 PolarHBondContact O-N 3.36Å; E337-M340 HydrophobicContact CG-CE 4.3Å; E337-M340 CarbonylContact O-C 3.58Å; E337-M340 WeakPolarHBondContact O-CA 3.39Å; E337-M340 WeakPolarHBondContact O-CB 3.27Å; E337-M340 PolarHBondContact O-N 2.78Å; E337-N341 PolarHBondContact O-N 3.01Å; E337-N341 PolarHBondContact O-OD1 3.35Å
338Q89.1Confident91.3Very high140 Ų14061.3 Ų61.365%0.65430%0.299SS*.Hα-helixtrans-60.4-32.3173.8-167.8-178.813.900113.3D334 K335 M340 P342D334-Q338 WeakPolarHBondContact O-CB 3.37Å; D334-Q338 PolarHBondContact O-N 3.23Å; K335-Q338 PolarHBondContact O-N 3.37Å; Q338-M340 VanDerWaalsContact C-N 3.28Å; Q338-P342 WeakPolarHBondContact O-CD 3.48Å
339R89.4Confident91.6Very high132 Ų13268.2 Ų68.250%0.49833%0.331SS..Hα-helixtrans-67.4-26.8170.9178.1-175.616595.1-11.3112.5K335 Q336 E337 E434K335-R339 PolarHBondContact O-N 3.19Å; Q336-R339 PolarHBondContact O-N 2.98Å; E337-R339 VanDerWaalsContact C-N 3.27Å; E337-R339 PolarHBondContact O-N 3.36Å; R339-E434 IonicContact CZ-OE2 3.83Å; R339-E434 IonicContact NE-OE2 2.85Å; R339-E434 PolarHBondContact NE-OE2 2.78Å; R339-E434 IonicContact NH2-OE1 2.9Å; R339-E434 PolarHBondContact NH2-OE1 2.89Å; R339-E434 IonicContact NH2-OE2 3.92Å; R339-E434 PolarHBondContact NH2-OE2 3.32Å
340M92.5Very high92.1Very high4 Ų463.6 Ų63.62%0.0231%0.312CS..Hα-helixtrans-88.1-35-179-172.3177.761.800112.4Q336 E337 Q338 L343 L344 I428 L452Q336-M340 PolarHBondContact O-N 2.88Å; E337-M340 HydrophobicContact CG-CE 4.3Å; E337-M340 CarbonylContact O-C 3.58Å; E337-M340 WeakPolarHBondContact O-CA 3.39Å; E337-M340 WeakPolarHBondContact O-CB 3.27Å; E337-M340 PolarHBondContact O-N 2.78Å; Q338-M340 VanDerWaalsContact C-N 3.28Å; M340-L343 WeakPolarHBondContact O-CA 3.49Å; M340-L343 WeakPolarHBondContact O-CB 3.28Å; M340-L343 PolarHBondContact O-N 3.18Å; M340-L344 HydrophobicContact CE-CD1 4.16Å; M340-L344 HydrophobicContact CG-CD1 4.31Å; M340-L344 HydrophobicContact CG-CG 4.21Å; M340-L344 PolarHBondContact O-N 3.11Å; M340-L344 VanDerWaalsContact O-N 3.1Å; M340-I428 HydrophobicContact CG-CG2 4.25Å; M340-I428 HydrophobicContact SD-CG2 4.24Å; M340-L452 HydrophobicContact CE-CD1 3.88Å; M340-L452 HydrophobicContact SD-CD1 3.89Å; M340-L452 HydrophobicContact SD-CD2 4.09Å
341N93Very high92.5Very high67 Ų6758.6 Ų58.636%0.35829%0.293SS..Hα-helixtrans-48.1-52.8-178.8-69.4-7.3000115.3E337 L343 L344 D345E337-N341 PolarHBondContact O-N 3.01Å; E337-N341 PolarHBondContact O-OD1 3.35Å; N341-L343 PolarHBondContact O-N 2.85Å; N341-L343 VanDerWaalsContact O-N 3.11Å; N341-L344 WeakPolarHBondContact O-CA 3.23Å; N341-L344 WeakPolarHBondContact O-CB 3.42Å; N341-L344 PolarHBondContact O-N 2.83Å; N341-D345 PolarHBondContact O-N 3.49Å
342P94.5Very high92.8Very high77 Ų7761.3 Ų61.350%0.531%0.314SS..Hα-helixtrans-65.4-19.1-179.626.8-35.7000113.6Q338 A346Q338-P342 WeakPolarHBondContact O-CD 3.48Å; P342-A346 WeakPolarHBondContact O-CB 3.34Å; P342-A346 PolarHBondContact O-N 2.94Å
343L94.6Very high93.1Very high41 Ų4163.2 Ų63.222%0.21533%0.334CS..Hα-helixtrans-79.5-35.3171.1-56.1173.4000111.4M340 N341 L347 K427 I428 C431M340-L343 WeakPolarHBondContact O-CA 3.49Å; M340-L343 WeakPolarHBondContact O-CB 3.28Å; M340-L343 PolarHBondContact O-N 3.18Å; N341-L343 PolarHBondContact O-N 2.85Å; N341-L343 VanDerWaalsContact O-N 3.11Å; L343-L347 VanDerWaalsContact O-CB 3.25Å; L343-L347 WeakPolarHBondContact O-CB 3.15Å; L343-L347 PolarHBondContact O-N 3.18Å; L343-K427 HydrophobicContact CD1-CB 4.25Å; L343-I428 HydrophobicContact CB-CD1 4.15Å; L343-I428 HydrophobicContact CB-CG1 3.53Å; L343-I428 HydrophobicContact CD1-CG1 4.29Å; L343-C431 HydrophobicContact CD1-CB 4.26Å
344L95.5Very high93.4Very high24 Ų2460.7 Ų60.713%0.12632%0.324CS..Hα-helixtrans-66-44173.3-64.6174.7000111.3M340 N341 L347 G348 I428 L456M340-L344 HydrophobicContact CE-CD1 4.16Å; M340-L344 HydrophobicContact CG-CD1 4.31Å; M340-L344 HydrophobicContact CG-CG 4.21Å; M340-L344 PolarHBondContact O-N 3.11Å; M340-L344 VanDerWaalsContact O-N 3.1Å; N341-L344 WeakPolarHBondContact O-CA 3.23Å; N341-L344 WeakPolarHBondContact O-CB 3.42Å; N341-L344 PolarHBondContact O-N 2.83Å; L344-L347 PolarHBondContact O-N 2.76Å; L344-G348 PolarHBondContact O-N 3.14Å; L344-I428 HydrophobicContact CD2-CD1 3.98Å; L344-I428 HydrophobicContact CD2-CG1 4.44Å; L344-I428 HydrophobicContact CD2-CG2 4.28Å; L344-L456 HydrophobicContact CD2-CD2 3.42Å; L344-L456 VanDerWaalsContact CD2-CD2 3.42Å
345D95.1Very high93.8Very high97 Ų9757.1 Ų57.152%0.51930%0.304SS..Hα-helixtrans-61.2-50.1177.4-63.3-37.8000110.5N341 L347 G348 E349N341-D345 PolarHBondContact O-N 3.49Å; D345-L347 VanDerWaalsContact C-N 3.35Å; D345-L347 PolarHBondContact O-N 3.11Å; D345-G348 PolarHBondContact O-N 2.82Å; D345-G348 VanDerWaalsContact O-N 3.15Å; D345-E349 PolarHBondContact O-N 3.34Å
346A96.6Very high94.1Very high34 Ų3456 Ų5628%0.28131%0.308SS..Hα-helixtrans-62.8-37176.200000113P342 E349 A350 L424P342-A346 WeakPolarHBondContact O-CB 3.34Å; P342-A346 PolarHBondContact O-N 2.94Å; A346-E349 PolarHBondContact O-N 2.87Å; A346-A350 WeakPolarHBondContact O-CB 3.43Å; A346-A350 PolarHBondContact O-N 3.05Å; A346-L424 HydrophobicContact CB-CD1 4.24Å; A346-L424 HydrophobicContact CB-CD2 4.05Å
347L97Very high94.4Very high0 Ų059 Ų590%033%0.328CS..Hα-helixtrans-65.5-41.2173.7177.561.2000110.9L343 L344 D345 A350 I351 C421 L424 F425 I428 L456 L459 W460L343-L347 VanDerWaalsContact O-CB 3.25Å; L343-L347 WeakPolarHBondContact O-CB 3.15Å; L343-L347 PolarHBondContact O-N 3.18Å; L344-L347 PolarHBondContact O-N 2.76Å; D345-L347 VanDerWaalsContact C-N 3.35Å; D345-L347 PolarHBondContact O-N 3.11Å; L347-A350 PolarHBondContact O-N 3.23Å; L347-I351 HydrophobicContact CD1-CD1 3.84Å; L347-I351 HydrophobicContact CD1-CG1 4.07Å; L347-I351 HydrophobicContact CD2-CD1 4.44Å; L347-I351 HydrophobicContact CG-CD1 3.71Å; L347-I351 HydrophobicContact CG-CG1 4.4Å; L347-I351 WeakPolarHBondContact O-CB 3.36Å; L347-I351 WeakPolarHBondContact O-CD1 3.26Å; L347-I351 WeakPolarHBondContact O-CG1 3.49Å; L347-I351 PolarHBondContact O-N 2.96Å; L347-C421 HydrophobicContact CD1-CB 3.78Å; L347-L424 HydrophobicContact CB-CB 4.19Å; L347-L424 HydrophobicContact CD1-CB 4.13Å; L347-F425 HydrophobicContact CD2-CB 4.48Å; L347-I428 HydrophobicContact CB-CD1 3.96Å; L347-I428 HydrophobicContact CD2-CD1 3.5Å; L347-I428 VanDerWaalsContact CD2-CD1 3.5Å; L347-I428 HydrophobicContact CG-CD1 4.34Å; L347-L456 HydrophobicContact CD2-CD2 4.11Å; L347-L459 HydrophobicContact CB-CD1 4.34Å; L347-L459 HydrophobicContact CD2-CD1 3.82Å; L347-L459 HydrophobicContact CG-CD1 3.98Å; L347-W460 HydrophobicContact CD2-CH2 4.28Å
348G96.9Very high94.8Very high13 Ų1355.4 Ų55.413%0.13431%0.312CS..Hα-helixtrans-62.2-40.4174.900000112.8L344 D345 S352L344-G348 PolarHBondContact O-N 3.14Å; D345-G348 PolarHBondContact O-N 2.82Å; D345-G348 VanDerWaalsContact O-N 3.15Å; G348-S352 VanDerWaalsContact O-CB 3.3Å; G348-S352 WeakPolarHBondContact O-CB 3.32Å; G348-S352 PolarHBondContact O-N 3.48Å; G348-S352 PolarHBondContact O-OG 3.41Å
349E96.6Very high95.1Very high146 Ų14652 Ų5268%0.68230%0.298SS*.Hα-helixtrans-65.8-47.4174.7-173.5169.5-165.800111.8D345 A346 I351 S352 S353D345-E349 PolarHBondContact O-N 3.34Å; A346-E349 PolarHBondContact O-N 2.87Å; E349-I351 PolarHBondContact O-N 3.32Å; E349-S352 WeakPolarHBondContact O-CB 3.42Å; E349-S352 PolarHBondContact O-N 3.14Å; E349-S352 VanDerWaalsContact O-N 3.14Å; E349-S353 WeakPolarHBondContact O-CB 3.27Å; E349-S353 PolarHBondContact O-N 2.7Å
350A96.9Very high95.4Very high4 Ų450.9 Ų50.93%0.03330%0.298CS..Hα-helixtrans-64.5-35.5177.400000113.1A346 L347 S354 E420 C421 L424A346-A350 WeakPolarHBondContact O-CB 3.43Å; A346-A350 PolarHBondContact O-N 3.05Å; L347-A350 PolarHBondContact O-N 3.23Å; A350-S354 WeakPolarHBondContact O-CB 3.39Å; A350-S354 PolarHBondContact O-N 3.14Å; A350-S354 PolarHBondContact O-OG 2.99Å; A350-E420 HydrophobicContact CB-CG 3.83Å; A350-E420 WeakPolarHBondContact CB-OE2 3.26Å; A350-C421 WeakPolarHBondContact CB-SG 3.5Å; A350-L424 HydrophobicContact CB-CD1 3.91Å
351I96.9Very high95.4Very high2 Ų252.3 Ų52.31%0.0131%0.309CS..Hα-helixtrans-66.8-46.5170.5-66.9160.3000109.8L347 E349 S353 S354 M355 L459 W460L347-I351 HydrophobicContact CD1-CD1 3.84Å; L347-I351 HydrophobicContact CD1-CG1 4.07Å; L347-I351 HydrophobicContact CD2-CD1 4.44Å; L347-I351 HydrophobicContact CG-CD1 3.71Å; L347-I351 HydrophobicContact CG-CG1 4.4Å; L347-I351 WeakPolarHBondContact O-CB 3.36Å; L347-I351 WeakPolarHBondContact O-CD1 3.26Å; L347-I351 WeakPolarHBondContact O-CG1 3.49Å; L347-I351 PolarHBondContact O-N 2.96Å; E349-I351 PolarHBondContact O-N 3.32Å; I351-S353 VanDerWaalsContact C-N 3.26Å; I351-S353 PolarHBondContact O-N 3.42Å; I351-S354 WeakPolarHBondContact CA-OG 3.47Å; I351-S354 PolarHBondContact O-N 3.31Å; I351-S354 VanDerWaalsContact O-N 3.15Å; I351-S354 PolarHBondContact O-OG 3.43Å; I351-M355 HydrophobicContact CG2-CE 3.81Å; I351-M355 WeakPolarHBondContact O-CB 3.48Å; I351-M355 PolarHBondContact O-N 3.41Å; I351-L459 HydrophobicContact CD1-CB 3.71Å; I351-L459 HydrophobicContact CD1-CD1 4.4Å; I351-L459 WeakPolarHBondContact CG2-O 3.45Å; I351-W460 HydrophobicContact CD1-CD2 3.73Å; I351-W460 VanDerWaalsContact CD1-CE2 3.48Å; I351-W460 HydrophobicContact CD1-CE3 3.91Å; I351-W460 HydrophobicContact CD1-CG 4.48Å; I351-W460 HydrophobicContact CD1-CH2 3.69Å; I351-W460 HydrophobicContact CD1-CZ2 3.48Å; I351-W460 VanDerWaalsContact CD1-CZ2 3.48Å; I351-W460 HydrophobicContact CD1-CZ3 3.88Å; I351-W460 HydrophobicContact CG1-CZ2 4.06Å; I351-W460 HydrophobicContact CG2-CG 4.29Å
352S95.6Very high95.5Very high83 Ų8351.9 Ų51.958%0.5830%0.302SS*.Hα-helixtrans-60.5-35.4179.4-59.80000112.6G348 E349 P356G348-S352 VanDerWaalsContact O-CB 3.3Å; G348-S352 WeakPolarHBondContact O-CB 3.32Å; G348-S352 PolarHBondContact O-N 3.48Å; G348-S352 PolarHBondContact O-OG 3.41Å; E349-S352 WeakPolarHBondContact O-CB 3.42Å; E349-S352 PolarHBondContact O-N 3.14Å; E349-S352 VanDerWaalsContact O-N 3.14Å; S352-P356 VanDerWaalsContact O-CD 3.27Å; S352-P356 WeakPolarHBondContact O-CD 3.47Å
353S95.2Very high95.6Very high90 Ų9051 Ų5163%0.62930%0.296SS*.Hα-helixtrans-70.9-40.8174.3-176.20000112.9E349 I351E349-S353 WeakPolarHBondContact O-CB 3.27Å; E349-S353 PolarHBondContact O-N 2.7Å; I351-S353 VanDerWaalsContact C-N 3.26Å; I351-S353 PolarHBondContact O-N 3.42Å
354S95.1Very high95.6Very high17 Ų1754.4 Ų54.412%0.11931%0.306CS..Hα-helixtrans-85.5-17.7-177.357.60000115A350 I351 P357 I358 Y415A350-S354 WeakPolarHBondContact O-CB 3.39Å; A350-S354 PolarHBondContact O-N 3.14Å; A350-S354 PolarHBondContact O-OG 2.99Å; I351-S354 WeakPolarHBondContact CA-OG 3.47Å; I351-S354 PolarHBondContact O-N 3.31Å; I351-S354 VanDerWaalsContact O-N 3.15Å; I351-S354 PolarHBondContact O-OG 3.43Å; S354-P357 WeakPolarHBondContact O-CD 3.08Å; S354-P357 WeakPolarHBondContact O-CG 3.43Å; S354-I358 WeakPolarHBondContact O-CD1 3.46Å; S354-I358 WeakPolarHBondContact O-CG1 3.36Å; S354-Y415 PolarHBondContact OG-OH 2.76Å; S354-Y415 VanDerWaalsContact OG-OH 3.05Å
355M95.2Very high95.6Very high11 Ų1156.8 Ų56.85%0.05432%0.318CS..Hα-helixtrans-68.3-42.2-175-169.758.552.300115.2I351 I358 I359 Y415 P461 W464I351-M355 HydrophobicContact CG2-CE 3.81Å; I351-M355 WeakPolarHBondContact O-CB 3.48Å; I351-M355 PolarHBondContact O-N 3.41Å; M355-I358 WeakPolarHBondContact O-CB 3.16Å; M355-I358 PolarHBondContact O-N 2.78Å; M355-I358 VanDerWaalsContact O-N 3.11Å; M355-I359 HydrophobicContact CG-CD1 3.61Å; M355-I359 HydrophobicContact CG-CG1 3.97Å; M355-I359 PolarHBondContact O-N 2.94Å; M355-I359 HydrophobicContact SD-CD1 4.16Å; M355-I359 HydrophobicContact SD-CG1 3.97Å; M355-Y415 HydrophobicContact CE-CD2 3.62Å; M355-Y415 HydrophobicContact CE-CE2 3.77Å; M355-P461 HydrophobicContact CE-CG 4.36Å; M355-P461 HydrophobicContact CG-CG 3.94Å; M355-P461 HydrophobicContact SD-CG 3.98Å; M355-W464 HydrophobicContact SD-CD2 4.36Å; M355-W464 HydrophobicContact SD-CG 4.43Å
356P95.4Very high95.5Very high79 Ų7957.3 Ų57.351%0.51332%0.316SS..Hα-helixtrans-54.5-50.9-176.9-26.335000115.3S352 I358 I359 E360S352-P356 VanDerWaalsContact O-CD 3.27Å; S352-P356 WeakPolarHBondContact O-CD 3.47Å; P356-I358 VanDerWaalsContact C-N 3.26Å; P356-I358 PolarHBondContact O-N 2.78Å; P356-I359 PolarHBondContact O-N 3.21Å; P356-E360 PolarHBondContact O-N 2.87Å
357P94.6Very high95.5Very high77 Ų7760.7 Ų60.750%0.533%0.326SS..Hα-helixtrans-68-24.3178.127.4-35.6000113.2S354 S361S354-P357 WeakPolarHBondContact O-CD 3.08Å; S354-P357 WeakPolarHBondContact O-CG 3.43Å; P357-S361 WeakPolarHBondContact O-CB 3.48Å; P357-S361 PolarHBondContact O-N 3.09Å
358I95.1Very high95.4Very high26 Ų2664 Ų6413%0.13335%0.346CS..Hα-helixtrans-71.6-42174.3-65174.4000110.4S354 M355 P356 Y362 Y415 R416 W464S354-I358 WeakPolarHBondContact O-CD1 3.46Å; S354-I358 WeakPolarHBondContact O-CG1 3.36Å; M355-I358 WeakPolarHBondContact O-CB 3.16Å; M355-I358 PolarHBondContact O-N 2.78Å; M355-I358 VanDerWaalsContact O-N 3.11Å; P356-I358 VanDerWaalsContact C-N 3.26Å; P356-I358 PolarHBondContact O-N 2.78Å; I358-Y362 PolarHBondContact O-N 2.8Å; I358-Y362 VanDerWaalsContact O-N 3.12Å; I358-Y415 HydrophobicContact CD1-CD2 3.75Å; I358-Y415 HydrophobicContact CD1-CE2 3.59Å; I358-R416 HydrophobicContact CD1-CB 4.43Å; I358-W464 HydrophobicContact CG2-CE3 4.04Å; I358-W464 HydrophobicContact CG2-CH2 3.88Å; I358-W464 HydrophobicContact CG2-CZ3 3.45Å; I358-W464 VanDerWaalsContact CG2-CZ3 3.45Å
359I95.1Very high95.2Very high69 Ų6964.5 Ų64.535%0.35435%0.345SS..Hα-helixtrans-64.7-44.1173.8-67.5176000110.8M355 P356 Y362 T363 W464M355-I359 HydrophobicContact CG-CD1 3.61Å; M355-I359 HydrophobicContact CG-CG1 3.97Å; M355-I359 PolarHBondContact O-N 2.94Å; M355-I359 HydrophobicContact SD-CD1 4.16Å; M355-I359 HydrophobicContact SD-CG1 3.97Å; P356-I359 PolarHBondContact O-N 3.21Å; I359-Y362 PolarHBondContact O-N 2.96Å; I359-T363 WeakPolarHBondContact O-CB 3.11Å; I359-T363 PolarHBondContact O-N 3.31Å; I359-T363 PolarHBondContact O-OG1 3.48Å; I359-W464 HydrophobicContact CB-CZ2 4.46Å; I359-W464 HydrophobicContact CG1-CH2 4.45Å; I359-W464 HydrophobicContact CG1-CZ2 3.76Å
360E95.2Very high95.1Very high107 Ų10762.3 Ų62.350%0.534%0.337SS..Hα-helixtrans-60.9-46.3178.1-167.5-144.4111.200111.4P356 Y362 T363 R364P356-E360 PolarHBondContact O-N 2.87Å; E360-Y362 PolarHBondContact O-N 2.99Å; E360-T363 WeakPolarHBondContact O-CB 3.31Å; E360-T363 PolarHBondContact O-N 2.89Å; E360-T363 VanDerWaalsContact O-N 3.11Å; E360-R364 PolarHBondContact O-N 3.05Å; E360-R364 IonicContact OE1-CZ 3.32Å; E360-R364 IonicContact OE1-NE 2.87Å; E360-R364 PolarHBondContact OE1-NE 3.28Å; E360-R364 IonicContact OE1-NH2 2.86Å; E360-R364 PolarHBondContact OE1-NH2 3.29Å
361S93.8Very high95Very high34 Ų3468.5 Ų68.524%0.23837%0.366CS..Hα-helixtrans-60.4-45.5176.9-164.60000112.3P357 T363 R364 D365P357-S361 WeakPolarHBondContact O-CB 3.48Å; P357-S361 PolarHBondContact O-N 3.09Å; S361-T363 PolarHBondContact O-N 3.3Å; S361-R364 PolarHBondContact O-N 2.78Å; S361-D365 WeakPolarHBondContact O-CB 3.48Å; S361-D365 PolarHBondContact O-N 2.91Å
362Y95.6Very high94.7Very high59 Ų5975.6 Ų75.623%0.23139%0.392CS..Hα-helixtrans-63.6-30.5176.2174.6-97.7000113.1I358 I359 E360 K366 P411 K413 W464I358-Y362 PolarHBondContact O-N 2.8Å; I358-Y362 VanDerWaalsContact O-N 3.12Å; I359-Y362 PolarHBondContact O-N 2.96Å; E360-Y362 PolarHBondContact O-N 2.99Å; Y362-K366 WeakPolarHBondContact O-CB 3.31Å; Y362-K366 PolarHBondContact O-N 3.39Å; Y362-P411 HydrophobicContact CD2-CB 4.38Å; Y362-P411 HydrophobicContact CE2-CB 4.07Å; Y362-P411 HydrophobicContact CE2-CG 4.17Å; Y362-P411 WeakPolarHBondContact CE2-O 3.47Å; Y362-K413 HydrophobicContact CD2-CG 4.45Å; Y362-K413 HydrophobicContact CE1-CG 4.2Å; Y362-K413 HydrophobicContact CE2-CG 3.96Å; Y362-W464 HydrophobicContact CD1-CH2 4.19Å; Y362-W464 HydrophobicContact CD1-CZ2 4.26Å; Y362-W464 HydrophobicContact CD2-CH2 4.38Å; Y362-W464 AromaticContact CG-CH2 3.78Å; Y362-W464 HydrophobicContact CG-CH2 3.78Å; Y362-W464 HydrophobicContact CG-CZ2 4.31Å
363T95.4Very high94.5Very high59 Ų5973 Ų7336%0.36237%0.372SS..Hα-helixtrans-68.4-46.2176.1-55.10000110.4I359 E360 S361 K366 E367I359-T363 WeakPolarHBondContact O-CB 3.11Å; I359-T363 PolarHBondContact O-N 3.31Å; I359-T363 PolarHBondContact O-OG1 3.48Å; E360-T363 WeakPolarHBondContact O-CB 3.31Å; E360-T363 PolarHBondContact O-N 2.89Å; E360-T363 VanDerWaalsContact O-N 3.11Å; S361-T363 PolarHBondContact O-N 3.3Å; T363-K366 WeakPolarHBondContact O-CB 3.49Å; T363-K366 PolarHBondContact O-N 2.9Å; T363-E367 WeakPolarHBondContact O-CG 3.39Å; T363-E367 PolarHBondContact O-N 3.38Å
364R95.5Very high94.4Very high112 Ų11275.7 Ų75.742%0.42337%0.372SS..Hα-helixtrans-61.8-42.4171.8-70.4-173.1-83.389.9-4.3112.6E360 S361 K366 E367 V368E360-R364 PolarHBondContact O-N 3.05Å; E360-R364 IonicContact OE1-CZ 3.32Å; E360-R364 IonicContact OE1-NE 2.87Å; E360-R364 PolarHBondContact OE1-NE 3.28Å; E360-R364 IonicContact OE1-NH2 2.86Å; E360-R364 PolarHBondContact OE1-NH2 3.29Å; S361-R364 PolarHBondContact O-N 2.78Å; R364-K366 PolarHBondContact O-N 3.5Å; R364-E367 PolarHBondContact O-N 2.86Å; R364-E367 VanDerWaalsContact O-N 3.14Å; R364-V368 WeakPolarHBondContact O-CG2 3.42Å; R364-V368 PolarHBondContact O-N 3.12Å
365D94.2Very high94.2Very high73 Ų7377.4 Ų77.439%0.3939%0.387SS..Hα-helixtrans-61.4-32.8176.7-64.5-26.8000111.8S361 H369 P411S361-D365 WeakPolarHBondContact O-CB 3.48Å; S361-D365 PolarHBondContact O-N 2.91Å; D365-H369 VanDerWaalsContact O-CB 3.25Å; D365-H369 WeakPolarHBondContact O-CB 3.46Å; D365-H369 PolarHBondContact O-N 3.28Å; D365-H369 VanDerWaalsContact O-N 3.07Å; D365-P411 HydrophobicContact CB-CB 4.14Å
366K94.3Very high93.9Very high109 Ų10979.5 Ų79.547%0.47439%0.394SS..Hα-helixtrans-72.2-38.8174.1-178.9-167.2171.4-160.60112.4Y362 T363 R364 H369 L370 P411Y362-K366 WeakPolarHBondContact O-CB 3.31Å; Y362-K366 PolarHBondContact O-N 3.39Å; T363-K366 WeakPolarHBondContact O-CB 3.49Å; T363-K366 PolarHBondContact O-N 2.9Å; R364-K366 PolarHBondContact O-N 3.5Å; K366-H369 PolarHBondContact O-N 2.85Å; K366-L370 WeakPolarHBondContact O-CG 3.44Å; K366-L370 PolarHBondContact O-N 3.2Å; K366-P411 HydrophobicContact CB-CG 4.15Å
367E95.7Very high93.7Very high104 Ų10480.2 Ų80.249%0.48639%0.391SS..Hα-helixtrans-65-50.8175.6-71.2161.6175.800110.9T363 R364 H369 L370 E371T363-E367 WeakPolarHBondContact O-CG 3.39Å; T363-E367 PolarHBondContact O-N 3.38Å; R364-E367 PolarHBondContact O-N 2.86Å; R364-E367 VanDerWaalsContact O-N 3.14Å; E367-H369 PolarHBondContact O-N 2.74Å; E367-L370 WeakPolarHBondContact O-CB 3.48Å; E367-L370 PolarHBondContact O-N 3.11Å; E367-E371 PolarHBondContact O-N 2.83Å
368V94.3Very high93.4Very high69 Ų6979.9 Ų79.942%0.41839%0.388SS..Hα-helixtrans-58.9-34.6174.7172.80000111.9R364 R372R364-V368 WeakPolarHBondContact O-CG2 3.42Å; R364-V368 PolarHBondContact O-N 3.12Å; V368-R372 WeakPolarHBondContact O-CB 3.44Å; V368-R372 PolarHBondContact O-N 3.14Å
369H93.6Very high92.7Very high24 Ų2483.5 Ų83.511%0.11140%0.404CS..Hα-helixtrans-66.8-39.8173.5166.874.5000113D365 K366 E367 R372 I373 P408 G409 P410 P411D365-H369 VanDerWaalsContact O-CB 3.25Å; D365-H369 WeakPolarHBondContact O-CB 3.46Å; D365-H369 PolarHBondContact O-N 3.28Å; D365-H369 VanDerWaalsContact O-N 3.07Å; K366-H369 PolarHBondContact O-N 2.85Å; E367-H369 PolarHBondContact O-N 2.74Å; H369-R372 PolarHBondContact O-N 3.14Å; H369-I373 VanDerWaalsContact CE1-CD1 3.41Å; H369-I373 WeakPolarHBondContact CE1-CD1 3.4Å; H369-I373 VanDerWaalsContact NE2-CD1 3.32Å; H369-I373 WeakPolarHBondContact NE2-CD1 3.36Å; H369-I373 PolarHBondContact O-N 3.26Å; H369-P408 PolarHBondContact CE1-O 2.92Å; H369-G409 PolarHBondContact CE1-O 3.43Å; H369-G409 VanDerWaalsContact CE1-O 3.24Å; H369-G409 PolarHBondContact ND1-O 3.26Å; H369-P410 WeakPolarHBondContact CE1-CA 3.49Å; H369-P411 HydrophobicContact CB-CG 4.38Å
370L94.7Very high91.9Very high100 Ų10080.9 Ų80.952%0.52439%0.391SS..Hα-helixtrans-66.1-41.2175.4-70.6168000111.5K366 E367 R372 I373 K374K366-L370 WeakPolarHBondContact O-CG 3.44Å; K366-L370 PolarHBondContact O-N 3.2Å; E367-L370 WeakPolarHBondContact O-CB 3.48Å; E367-L370 PolarHBondContact O-N 3.11Å; L370-R372 VanDerWaalsContact C-N 3.35Å; L370-I373 PolarHBondContact O-N 3.21Å; L370-K374 PolarHBondContact O-N 2.81Å
371E93.8Very high90.7Very high134 Ų13482.7 Ų82.763%0.62640%0.403SS*.Hα-helixtrans-60.5-43.4172.2-67.4-176.4149.300111.7E367 K374 A375E367-E371 PolarHBondContact O-N 2.83Å; E371-K374 WeakPolarHBondContact O-CB 3.39Å; E371-K374 PolarHBondContact O-N 2.78Å; E371-A375 PolarHBondContact O-N 2.68Å
372R91.5Very high89.2Confident151 Ų15188.6 Ų88.657%0.5743%0.427SS*.Hα-helixtrans-66.2-37.5177.6-158.5-173.4-60.2170.91.2112.8V368 H369 L370 W376 P408V368-R372 WeakPolarHBondContact O-CB 3.44Å; V368-R372 PolarHBondContact O-N 3.14Å; H369-R372 PolarHBondContact O-N 3.14Å; L370-R372 VanDerWaalsContact C-N 3.35Å; R372-W376 VanDerWaalsContact O-CB 3.27Å; R372-W376 WeakPolarHBondContact O-CB 3.42Å; R372-W376 PolarHBondContact O-N 2.97Å; R372-P408 HydrophobicContact CB-CG 4.29Å; R372-P408 HydrophobicContact CG-CB 4.26Å; R372-P408 HydrophobicContact CG-CG 3.74Å
373I91.4Very high87.4Confident30 Ų3089 Ų8915%0.15444%0.438CS..Hα-helixtrans-62.4-43.9171-78.1-176.2000110.5H369 L370 W376 Q377 P408H369-I373 VanDerWaalsContact CE1-CD1 3.41Å; H369-I373 WeakPolarHBondContact CE1-CD1 3.4Å; H369-I373 VanDerWaalsContact NE2-CD1 3.32Å; H369-I373 WeakPolarHBondContact NE2-CD1 3.36Å; H369-I373 PolarHBondContact O-N 3.26Å; L370-I373 PolarHBondContact O-N 3.21Å; I373-W376 PolarHBondContact O-N 3.2Å; I373-Q377 HydrophobicContact CG2-CG 4.41Å; I373-Q377 VanDerWaalsContact O-CG 3.3Å; I373-Q377 WeakPolarHBondContact O-CG 3.47Å; I373-Q377 PolarHBondContact O-N 3.18Å; I373-P408 HydrophobicContact CG1-CB 4.3Å
374K92.1Very high85Confident146 Ų14688.9 Ų88.964%0.63545%0.449SS*.Hα-helixtrans-62.6-45179-174.3-175.4175.6-171.30111.9L370 E371 Q377 T378L370-K374 PolarHBondContact O-N 2.81Å; E371-K374 WeakPolarHBondContact O-CB 3.39Å; E371-K374 PolarHBondContact O-N 2.78Å; K374-Q377 WeakPolarHBondContact O-CB 3.43Å; K374-Q377 PolarHBondContact O-N 3.12Å; K374-T378 PolarHBondContact O-N 3.22Å; K374-T378 PolarHBondContact O-OG1 3.39Å
375A90.9Very high82.6Confident53 Ų5389 Ų8944%0.43846%0.464SS..Hα-helixtrans-61.2-47.1176.600000111.8E371 Q377 T378 E379E371-A375 PolarHBondContact O-N 2.68Å; A375-Q377 VanDerWaalsContact C-N 3.31Å; A375-Q377 PolarHBondContact O-N 3Å; A375-T378 WeakPolarHBondContact CA-OG1 3.3Å; A375-T378 PolarHBondContact O-N 3.25Å; A375-T378 PolarHBondContact O-OG1 2.97Å; A375-E379 PolarHBondContact O-N 3.16Å
376W90.5Very high80.2Confident54 Ų5493.9 Ų93.921%0.20549%0.49CS..Hα-helixtrans-59.1-39.7174.7176.985.6000112.2R372 I373 N380 P405 K407 P408R372-W376 VanDerWaalsContact O-CB 3.27Å; R372-W376 WeakPolarHBondContact O-CB 3.42Å; R372-W376 PolarHBondContact O-N 2.97Å; I373-W376 PolarHBondContact O-N 3.2Å; W376-N380 PolarHBondContact NE1-ND2 3.45Å; W376-N380 WeakPolarHBondContact O-CB 3.34Å; W376-N380 PolarHBondContact O-N 3.35Å; W376-N380 VanDerWaalsContact O-N 3.08Å; W376-N380 PolarHBondContact O-ND2 2.99Å; W376-P405 PolarHBondContact NE1-O 3.17Å; W376-K407 HydrophobicContact CD2-CB 4.26Å; W376-K407 HydrophobicContact CD2-CG 4.14Å; W376-K407 HydrophobicContact CE3-CB 4.43Å; W376-K407 HydrophobicContact CE3-CD 4.34Å; W376-K407 HydrophobicContact CE3-CG 3.94Å; W376-K407 HydrophobicContact CH2-CB 3.95Å; W376-K407 HydrophobicContact CH2-CD 4.07Å; W376-K407 HydrophobicContact CH2-CG 4.07Å; W376-K407 HydrophobicContact CZ2-CB 3.71Å; W376-K407 HydrophobicContact CZ2-CG 4.23Å; W376-K407 HydrophobicContact CZ3-CB 4.3Å; W376-K407 HydrophobicContact CZ3-CD 3.88Å; W376-K407 HydrophobicContact CZ3-CG 3.92Å; W376-P408 HydrophobicContact CB-CG 4.29Å
377Q89.8Confident77.9Confident95 Ų9596.3 Ų96.344%0.44451%0.507SS..Hα-helixtrans-63.5-44.5174.8-75.6175-55.400112I373 K374 A375 N380 L381I373-Q377 HydrophobicContact CG2-CG 4.41Å; I373-Q377 VanDerWaalsContact O-CG 3.3Å; I373-Q377 WeakPolarHBondContact O-CG 3.47Å; I373-Q377 PolarHBondContact O-N 3.18Å; K374-Q377 WeakPolarHBondContact O-CB 3.43Å; K374-Q377 PolarHBondContact O-N 3.12Å; A375-Q377 VanDerWaalsContact C-N 3.31Å; A375-Q377 PolarHBondContact O-N 3Å; Q377-N380 PolarHBondContact O-N 3.27Å; Q377-L381 WeakPolarHBondContact O-CD1 3.33Å; Q377-L381 PolarHBondContact O-N 3.44Å
378T88Confident75.5Confident70 Ų7097.9 Ų97.943%0.42952%0.519SS..Hα-helixtrans-63.8-42.5178.438.70000112.7K374 A375 N380 L381 Q382K374-T378 PolarHBondContact O-N 3.22Å; K374-T378 PolarHBondContact O-OG1 3.39Å; A375-T378 WeakPolarHBondContact CA-OG1 3.3Å; A375-T378 PolarHBondContact O-N 3.25Å; A375-T378 PolarHBondContact O-OG1 2.97Å; T378-N380 PolarHBondContact O-N 3.18Å; T378-L381 PolarHBondContact O-N 2.88Å; T378-Q382 WeakPolarHBondContact O-CB 3.33Å; T378-Q382 VanDerWaalsContact O-CG 3.25Å; T378-Q382 WeakPolarHBondContact O-CG 3.3Å; T378-Q382 PolarHBondContact O-N 2.98Å; T378-Q382 PolarHBondContact O-OE1 3.13Å
379E81.6Confident73.3Confident101 Ų101100.3 Ų100.347%0.47253%0.53SS..Hα-helixtrans-61.3-43176.7-176.4-177.2-171.800112.1A375 Q382 S383A375-E379 PolarHBondContact O-N 3.16Å; E379-Q382 PolarHBondContact O-N 3.21Å; E379-S383 PolarHBondContact O-OG 3.15Å
380N77.2Confident70.9Confident15 Ų15106.1 Ų106.18%0.0856%0.562CS.*Hα-helixtrans-74.5-23.5179.3-79.9-98.4000113.8W376 Q377 T378 R404W376-N380 PolarHBondContact NE1-ND2 3.45Å; W376-N380 WeakPolarHBondContact O-CB 3.34Å; W376-N380 PolarHBondContact O-N 3.35Å; W376-N380 VanDerWaalsContact O-N 3.08Å; W376-N380 PolarHBondContact O-ND2 2.99Å; Q377-N380 PolarHBondContact O-N 3.27Å; T378-N380 PolarHBondContact O-N 3.18Å; N380-R404 PolarHBondContact O-NH2 2.85Å; N380-R404 WeakPolarHBondContact OD1-CB 3.45Å; N380-R404 VanDerWaalsContact OD1-CD 3.29Å; N380-R404 WeakPolarHBondContact OD1-CD 3.39Å; N380-R404 WeakPolarHBondContact OD1-CG 3.34Å
381L71.2Confident68.7Low144 Ų144110.8 Ų110.875%0.75458%0.581SS**Hα-helixtrans-82.7-26.8173.1-10069.3000113Q377 T378 S383Q377-L381 WeakPolarHBondContact O-CD1 3.33Å; Q377-L381 PolarHBondContact O-N 3.44Å; T378-L381 PolarHBondContact O-N 2.88Å; L381-S383 PolarHBondContact O-N 3Å
382Q61.5Low66.1Low158 Ų158107.6 Ų107.674%0.73858%0.584SS**SBendtrans-77.3-2.9176-72.9164.1-13.800112.9T378 E379T378-Q382 WeakPolarHBondContact O-CB 3.33Å; T378-Q382 VanDerWaalsContact O-CG 3.25Å; T378-Q382 WeakPolarHBondContact O-CG 3.3Å; T378-Q382 PolarHBondContact O-N 2.98Å; T378-Q382 PolarHBondContact O-OE1 3.13Å; E379-Q382 PolarHBondContact O-N 3.21Å
383S58.1Low64.1Low68 Ų68106.5 Ų106.548%0.47659%0.594SS.*SBendtrans-102.574.1-176.1-61.70000112.2E379 L381 R404E379-S383 PolarHBondContact O-OG 3.15Å; L381-S383 PolarHBondContact O-N 3Å; S383-R404 PolarHBondContact O-NH2 3.3Å; S383-R404 VanDerWaalsContact O-NH2 3.09Å
384G45.9Very low61.7Low56 Ų56112.8 Ų112.858%0.57763%0.628SS**  trans109.6150.4171.500000115
385P44.4Very low59.2Low115 Ų115109.4 Ų109.475%0.74763%0.634SS**  cis-124.8107.619.836.2-18.9000114.8L387P385-L387 PolarHBondContact O-N 2.85Å; P385-L387 VanDerWaalsContact O-N 3.12Å
386D43.6Very low57.1Low176 Ų176112.5 Ų112.594%0.94165%0.653SS**  trans-80.786.3162.4-74.2-40.7000109.7
387L47Very low54.7Low159 Ų159114.6 Ų114.683%0.83268%0.675SS**  trans-105.792.2163.6-84.5174.1000108.8P385P385-L387 PolarHBondContact O-N 2.85Å; P385-L387 VanDerWaalsContact O-N 3.12Å
388N44.4Very low52.6Low138 Ų138117.3 Ų117.374%0.73869%0.693SS**  trans-155.1158.2156.7-136.238.5000112.6
389D47.3Very low50.3Low119 Ų119118 Ų11864%0.63671%0.714SS**  trans60.781.2158.4-55.4-38.9000119.8
390N44Very low48.4Very low146 Ų146119.8 Ų119.878%0.78173%0.726SS**  31140.2121-68.4-59000121.1
391Q48.8Very low47.2Very low199 Ų199127 Ų12793%0.9376%0.764SS**  trans78.2133.3-179.2-48.8172.448.300113.2
392G39.7Very low46.1Very low66 Ų66125.3 Ų125.368%0.6876%0.764SS**  cis161.7158.6-6.700000111.9
393V49.8Very low46.1Very low129 Ų129127.2 Ų127.278%0.78277%0.77SS**  trans68.195.2166.2-167.60000117.2
394N40.9Very low46.4Very low162 Ų162131.2 Ų131.287%0.86678%0.775SS**  trans54.8125.4136.9-50.1-12.9000122.3
395G38.9Very low47.5Very low74 Ų74131 Ų13176%0.76376%0.763SS**  trans136.6125.7135.200000117.8
396S47.5Very low49.2Very low119 Ų119131.2 Ų131.283%0.83277%0.765SS**  trans54.7125.3171.5-74.90000117.6
397S39.9Very low51.1Low98 Ų98128.7 Ų128.769%0.68575%0.746SS**  54.289.772.9-156.30000112.9
398D44.7Very low52.9Low152 Ų152122.2 Ų122.281%0.81371%0.713SS**  -168.1157.799.5-84.9-7000110.9
399G39.4Very low54.9Low84 Ų84118.3 Ų118.387%0.86671%0.706SS**  trans-87.3113.4-166.400000114.5
400N42.5Very low57Low138 Ų138117.1 Ų117.174%0.73870%0.704SS**  trans-143.881.4165.5-167.62.8000111.8S402N400-S402 PolarHBondContact O-N 2.97Å
401L51.5Low59.3Low167 Ų167111.7 Ų111.787%0.87468%0.677SS**  trans-75.3102.7170.9-73.7175.2000109.6K403L401-K403 PolarHBondContact O-N 3.31Å
402S49.2Very low61.3Low108 Ų108110.4 Ų110.476%0.75567%0.668SS**  trans-52.791.4-178.6-59.80000113.6N400 R404N400-S402 PolarHBondContact O-N 2.97Å; S402-R404 PolarHBondContact O-N 3.01Å; S402-R404 VanDerWaalsContact O-N 3.1Å
403K60.5Low63.9Low198 Ų198111.5 Ų111.586%0.86165%0.654SS**  trans-63.1109.8168.2-73.2178.1-178.2175.40108.4L401L401-K403 PolarHBondContact O-N 3.31Å
404R63.8Low65.9Low153 Ų153110.7 Ų110.758%0.57764%0.644SS**PPolyproline II helixtrans-49.9138.2171.2-79.9174.2168.7-164.5-3.5109.7N380 S383 S402N380-R404 PolarHBondContact O-NH2 2.85Å; N380-R404 WeakPolarHBondContact OD1-CB 3.45Å; N380-R404 VanDerWaalsContact OD1-CD 3.29Å; N380-R404 WeakPolarHBondContact OD1-CD 3.39Å; N380-R404 WeakPolarHBondContact OD1-CG 3.34Å; S383-R404 PolarHBondContact O-NH2 3.3Å; S383-R404 VanDerWaalsContact O-NH2 3.09Å; S402-R404 PolarHBondContact O-N 3.01Å; S402-R404 VanDerWaalsContact O-N 3.1Å
405P70.2Confident68.5Low50 Ų50103.4 Ų103.433%0.32561%0.605SS.*PPolyproline II helixtrans-59143.8-176.222.7-32.7000110.9W376W376-P405 PolarHBondContact NE1-O 3.17Å
406P79.4Confident71Confident121 Ų121108.6 Ų108.679%0.78660%0.601SS**PPolyproline II helixtrans-66.6140.5-178.926.7-34.1000111.4
407K83.8Confident73.1Confident123 Ų123106.7 Ų106.754%0.53558%0.576SS.*PPolyproline II helixtrans-61.3131-179.1-174.5175.6-179.9176.80111W376 G409W376-K407 HydrophobicContact CD2-CB 4.26Å; W376-K407 HydrophobicContact CD2-CG 4.14Å; W376-K407 HydrophobicContact CE3-CB 4.43Å; W376-K407 HydrophobicContact CE3-CD 4.34Å; W376-K407 HydrophobicContact CE3-CG 3.94Å; W376-K407 HydrophobicContact CH2-CB 3.95Å; W376-K407 HydrophobicContact CH2-CD 4.07Å; W376-K407 HydrophobicContact CH2-CG 4.07Å; W376-K407 HydrophobicContact CZ2-CB 3.71Å; W376-K407 HydrophobicContact CZ2-CG 4.23Å; W376-K407 HydrophobicContact CZ3-CB 4.3Å; W376-K407 HydrophobicContact CZ3-CD 3.88Å; W376-K407 HydrophobicContact CZ3-CG 3.92Å; K407-G409 PolarHBondContact O-N 3.38Å
408P84.5Confident75.7Confident22 Ų22104.4 Ų104.414%0.14356%0.556CS.*PPolyproline II helixtrans-54.7129.4178-28.835.1000114H369 R372 I373 W376H369-P408 PolarHBondContact CE1-O 2.92Å; R372-P408 HydrophobicContact CB-CG 4.29Å; R372-P408 HydrophobicContact CG-CB 4.26Å; R372-P408 HydrophobicContact CG-CG 3.74Å; I373-P408 HydrophobicContact CG1-CB 4.3Å; W376-P408 HydrophobicContact CB-CG 4.29Å
409G87.5Confident78.1Confident57 Ų57102.2 Ų102.259%0.58855%0.549SS*.PPolyproline II helixtrans-76.8150.7173.300000113.2H369 K407H369-G409 PolarHBondContact CE1-O 3.43Å; H369-G409 VanDerWaalsContact CE1-O 3.24Å; H369-G409 PolarHBondContact ND1-O 3.26Å; K407-G409 PolarHBondContact O-N 3.38Å
410P90.6Very high80.7Confident93 Ų93103.2 Ų103.260%0.60453%0.53SS*.PPolyproline II helixtrans-74.2150.6-17830.4-35.7000113.3H369H369-P410 WeakPolarHBondContact CE1-CA 3.49Å
411P91.5Very high83.3Confident33 Ų3396.6 Ų96.621%0.21450%0.495CS..PPolyproline II helixtrans-65.814017628.3-34.9000111.1Y362 D365 K366 H369Y362-P411 HydrophobicContact CD2-CB 4.38Å; Y362-P411 HydrophobicContact CE2-CB 4.07Å; Y362-P411 HydrophobicContact CE2-CG 4.17Å; Y362-P411 WeakPolarHBondContact CE2-O 3.47Å; D365-P411 HydrophobicContact CB-CB 4.14Å; K366-P411 HydrophobicContact CB-CG 4.15Å; H369-P411 HydrophobicContact CB-CG 4.38Å
412K92.5Very high85.4Confident171 Ų17192.6 Ų92.674%0.74347%0.468SS*.PPolyproline II helixtrans-95.4134.5-178.4-62.5175.9-177.3174.40109.7I414K412-I414 HydrophobicContact CB-CD1 4.22Å; K412-I414 HydrophobicContact CB-CG1 4.17Å; K412-I414 PolarHBondContact O-N 3.12Å
413K94.1Very high87.7Confident89 Ų8992.3 Ų92.339%0.38746%0.455SS..PPolyproline II helixtrans-64.4118.4167.2-73-175.6176.1-1790108.8Y362 D462 G463 W464Y362-K413 HydrophobicContact CD2-CG 4.45Å; Y362-K413 HydrophobicContact CE1-CG 4.2Å; Y362-K413 HydrophobicContact CE2-CG 3.96Å; K413-D462 PolarHBondContact NZ-O 3.06Å; K413-G463 WeakPolarHBondContact CB-O 3.5Å; K413-W464 HydrophobicContact CB-CD2 4.12Å; K413-W464 HydrophobicContact CB-CE3 4.01Å; K413-W464 HydrophobicContact CB-CZ3 4.36Å; K413-W464 HydrophobicContact CD-CD2 4.26Å; K413-W464 HydrophobicContact CD-CG 4.39Å; K413-W464 HydrophobicContact CG-CD2 4.27Å; K413-W464 HydrophobicContact CG-CE3 4.45Å; K413-W464 HydrophobicContact CG-CZ2 4.31Å
414I91.6Very high89.4Confident112 Ų11283.8 Ų83.857%0.57442%0.419SS*.  trans-142.1117.5177.5-57.7177.8000108K412 R416K412-I414 HydrophobicContact CB-CD1 4.22Å; K412-I414 HydrophobicContact CB-CG1 4.17Å; K412-I414 PolarHBondContact O-N 3.12Å; I414-R416 PolarHBondContact O-N 3.16Å
415Y94.5Very high91Very high10 Ų1076.5 Ų76.54%0.03939%0.392CS..  trans-67.1124171.2-177.8-110.8000111S354 M355 I358 W417 C421 W460 W464 I465S354-Y415 PolarHBondContact OG-OH 2.76Å; S354-Y415 VanDerWaalsContact OG-OH 3.05Å; M355-Y415 HydrophobicContact CE-CD2 3.62Å; M355-Y415 HydrophobicContact CE-CE2 3.77Å; I358-Y415 HydrophobicContact CD1-CD2 3.75Å; I358-Y415 HydrophobicContact CD1-CE2 3.59Å; Y415-W417 HydrophobicContact CD1-CD2 4.33Å; Y415-W417 HydrophobicContact CE1-CD2 4.23Å; Y415-W417 HydrophobicContact CE1-CE3 4.16Å; Y415-C421 PolarHBondContact OH-SG 3.11Å; Y415-W460 HydrophobicContact CD1-CZ2 4.26Å; Y415-W460 AromaticContact CD1-NE1 3.2Å; Y415-W460 AromaticContact CD2-CD1 3.73Å; Y415-W460 AromaticContact CD2-NE1 3.47Å; Y415-W460 HydrophobicContact CE1-CZ2 4.09Å; Y415-W460 AromaticContact CE1-NE1 3.38Å; Y415-W460 AromaticContact CE2-NE1 3.65Å; Y415-W460 AromaticContact CG-CD1 3.72Å; Y415-W460 AromaticContact CG-NE1 3.24Å; Y415-W460 AromaticContact CZ-NE1 3.61Å; Y415-W464 WeakPolarHBondContact CB-O 3.42Å; Y415-W464 PolarHBondContact N-O 2.97Å; Y415-I465 HydrophobicContact CD1-CD1 4.4Å
416R92Very high92.2Very high183 Ų18375.8 Ų75.869%0.69139%0.385SS*.  trans-88.8115.4173.7-64.8-178.3-177.4-95.64.4108.7I358 I414 N418I358-R416 HydrophobicContact CD1-CB 4.43Å; I414-R416 PolarHBondContact O-N 3.16Å; R416-N418 PolarHBondContact O-N 3.34Å
417W92.5Very high93Very high78 Ų7874.8 Ų74.830%0.29537%0.368SS..  trans-64.7121.1178.8-67.393.5000111.3Y415 C421 R422 F425 W460 I465 L470 T473Y415-W417 HydrophobicContact CD1-CD2 4.33Å; Y415-W417 HydrophobicContact CE1-CD2 4.23Å; Y415-W417 HydrophobicContact CE1-CE3 4.16Å; W417-C421 HydrophobicContact CE3-CB 4.47Å; W417-R422 HydrophobicContact CE3-CB 4.28Å; W417-F425 HydrophobicContact CH2-CB 4.22Å; W417-F425 HydrophobicContact CH2-CD1 4.08Å; W417-F425 HydrophobicContact CH2-CD2 4.08Å; W417-F425 HydrophobicContact CH2-CE1 4.49Å; W417-F425 HydrophobicContact CH2-CE2 4.49Å; W417-F425 AromaticContact CH2-CG 3.85Å; W417-F425 HydrophobicContact CH2-CG 3.85Å; W417-F425 HydrophobicContact CZ3-CB 3.83Å; W417-F425 HydrophobicContact CZ3-CD1 4.29Å; W417-F425 AromaticContact CZ3-CG 3.96Å; W417-F425 HydrophobicContact CZ3-CG 3.96Å; W417-W460 HydrophobicContact CH2-CH2 4.23Å; W417-W460 HydrophobicContact CH2-CZ2 4.07Å; W417-W460 HydrophobicContact CZ3-CZ2 4.24Å; W417-I465 HydrophobicContact CH2-CD1 4.2Å; W417-I465 HydrophobicContact CZ2-CD1 3.79Å; W417-L470 HydrophobicContact CH2-CD2 4.07Å; W417-L470 HydrophobicContact CZ2-CD2 4.24Å; W417-T473 HydrophobicContact CD2-CG2 4.35Å; W417-T473 HydrophobicContact CH2-CG2 4Å; W417-T473 HydrophobicContact CZ2-CG2 3.71Å; W417-T473 VanDerWaalsContact CZ2-OG1 3.26Å; W417-T473 WeakPolarHBondContact CZ2-OG1 3.49Å; W417-T473 HydrophobicContact CZ3-CG2 4.43Å; W417-T473 PolarHBondContact NE1-OG1 2.87Å
418N92.9Very high93.6Very high50 Ų5069 Ų6927%0.26734%0.343SS..  trans-84.6164.916275.2-2.7000110.6R416 E420 C421 R422R416-N418 PolarHBondContact O-N 3.34Å; N418-E420 VanDerWaalsContact C-N 3.28Å; N418-E420 PolarHBondContact O-N 2.95Å; N418-C421 WeakPolarHBondContact OD1-CB 3.42Å; N418-C421 PolarHBondContact OD1-N 3.02Å; N418-C421 PolarHBondContact OD1-SG 3.44Å; N418-R422 VanDerWaalsContact O-CB 3.29Å; N418-R422 WeakPolarHBondContact O-CB 3.35Å; N418-R422 PolarHBondContact O-N 3.36Å; N418-R422 VanDerWaalsContact O-N 3.11Å
419T95.1Very high94.1Very high107 Ų10767.9 Ų67.966%0.65634%0.336SS*.Hα-helixtrans-59.6-38-178.1-48.60000112.6Q423T419-Q423 WeakPolarHBondContact O-CB 3.38Å; T419-Q423 VanDerWaalsContact O-CG 3.31Å; T419-Q423 WeakPolarHBondContact O-CG 3.29Å; T419-Q423 PolarHBondContact O-N 2.94Å
420E95.7Very high94.4Very high104 Ų10469 Ų6949%0.48633%0.328SS..Hα-helixtrans-69.4-56.6-176.6179177.1-134.700112.7A350 N418 R422 Q423 L424A350-E420 HydrophobicContact CB-CG 3.83Å; A350-E420 WeakPolarHBondContact CB-OE2 3.26Å; N418-E420 VanDerWaalsContact C-N 3.28Å; N418-E420 PolarHBondContact O-N 2.95Å; E420-R422 PolarHBondContact O-N 3.12Å; E420-Q423 PolarHBondContact O-N 3.23Å; E420-Q423 VanDerWaalsContact O-N 3.14Å; E420-L424 HydrophobicContact CG-CD1 3.86Å; E420-L424 WeakPolarHBondContact O-CB 3.46Å; E420-L424 WeakPolarHBondContact O-CG 3.27Å; E420-L424 PolarHBondContact O-N 3.3Å
421C96.4Very high94.6Very high0 Ų064.8 Ų64.80%030%0.301CS..Hα-helixtrans-59.8-33.5176.6-63.90000111.1L347 A350 Y415 W417 N418 F425L347-C421 HydrophobicContact CD1-CB 3.78Å; A350-C421 WeakPolarHBondContact CB-SG 3.5Å; Y415-C421 PolarHBondContact OH-SG 3.11Å; W417-C421 HydrophobicContact CE3-CB 4.47Å; N418-C421 WeakPolarHBondContact OD1-CB 3.42Å; N418-C421 PolarHBondContact OD1-N 3.02Å; N418-C421 PolarHBondContact OD1-SG 3.44Å; C421-F425 WeakPolarHBondContact O-CB 3.49Å; C421-F425 PolarHBondContact O-N 2.87Å
422R95.8Very high94.7Very high82 Ų8264.8 Ų64.831%0.30930%0.297SS..Hα-helixtrans-64.5-52.6174.2-177.458.4-172.2-92.411.3111.2W417 N418 E420 L424 F425 D426 T473W417-R422 HydrophobicContact CE3-CB 4.28Å; N418-R422 VanDerWaalsContact O-CB 3.29Å; N418-R422 WeakPolarHBondContact O-CB 3.35Å; N418-R422 PolarHBondContact O-N 3.36Å; N418-R422 VanDerWaalsContact O-N 3.11Å; E420-R422 PolarHBondContact O-N 3.12Å; R422-L424 VanDerWaalsContact C-N 3.3Å; R422-L424 PolarHBondContact O-N 3.33Å; R422-F425 PolarHBondContact O-N 3.29Å; R422-D426 WeakPolarHBondContact CD-OD1 3.2Å; R422-D426 IonicContact CZ-OD1 3.12Å; R422-D426 IonicContact NE-OD1 3.61Å; R422-D426 PolarHBondContact NE-OD1 3.25Å; R422-D426 IonicContact NE-OD2 2.68Å; R422-D426 PolarHBondContact NE-OD2 3.01Å; R422-D426 VanDerWaalsContact NE-OD2 3.16Å; R422-D426 IonicContact NH2-OD1 2.78Å; R422-D426 VanDerWaalsContact O-CB 3.31Å; R422-D426 WeakPolarHBondContact O-CB 3.39Å; R422-D426 PolarHBondContact O-N 3.15Å; R422-T473 PolarHBondContact NH2-O 2.93Å; R422-T473 VanDerWaalsContact NH2-O 3.12Å
423Q96.3Very high94.7Very high102 Ų10256.7 Ų56.748%0.47726%0.261SS..Hα-helixtrans-60.9-36.5177.5-74.1-179.817.100113.2T419 E420 K427T419-Q423 WeakPolarHBondContact O-CB 3.38Å; T419-Q423 VanDerWaalsContact O-CG 3.31Å; T419-Q423 WeakPolarHBondContact O-CG 3.29Å; T419-Q423 PolarHBondContact O-N 2.94Å; E420-Q423 PolarHBondContact O-N 3.23Å; E420-Q423 VanDerWaalsContact O-N 3.14Å; Q423-K427 WeakPolarHBondContact O-CB 3.44Å; Q423-K427 WeakPolarHBondContact O-CD 3.39Å; Q423-K427 WeakPolarHBondContact O-CG 3.25Å; Q423-K427 PolarHBondContact O-N 3.29Å
424L96.7Very high94.6Very high20 Ų2056.2 Ų56.211%0.10526%0.261CS..Hα-helixtrans-69.6-46.3177-71.2167.5000111.4A346 L347 A350 E420 R422 D426 K427 I428A346-L424 HydrophobicContact CB-CD1 4.24Å; A346-L424 HydrophobicContact CB-CD2 4.05Å; L347-L424 HydrophobicContact CB-CB 4.19Å; L347-L424 HydrophobicContact CD1-CB 4.13Å; A350-L424 HydrophobicContact CB-CD1 3.91Å; E420-L424 HydrophobicContact CG-CD1 3.86Å; E420-L424 WeakPolarHBondContact O-CB 3.46Å; E420-L424 WeakPolarHBondContact O-CG 3.27Å; E420-L424 PolarHBondContact O-N 3.3Å; R422-L424 VanDerWaalsContact C-N 3.3Å; R422-L424 PolarHBondContact O-N 3.33Å; L424-D426 PolarHBondContact O-N 3.48Å; L424-K427 PolarHBondContact O-N 2.86Å; L424-I428 WeakPolarHBondContact O-CD1 3.29Å; L424-I428 VanDerWaalsContact O-CG1 3.31Å; L424-I428 WeakPolarHBondContact O-CG1 3.39Å; L424-I428 PolarHBondContact O-N 2.91Å
425F97Very high94.6Very high0 Ų051 Ų510%023%0.234CC..Hα-helixtrans-57.9-47.8172.3174.1-97.6000111.6L347 W417 C421 R422 K427 I428 I429 L456 L470 T473L347-F425 HydrophobicContact CD2-CB 4.48Å; W417-F425 HydrophobicContact CH2-CB 4.22Å; W417-F425 HydrophobicContact CH2-CD1 4.08Å; W417-F425 HydrophobicContact CH2-CD2 4.08Å; W417-F425 HydrophobicContact CH2-CE1 4.49Å; W417-F425 HydrophobicContact CH2-CE2 4.49Å; W417-F425 AromaticContact CH2-CG 3.85Å; W417-F425 HydrophobicContact CH2-CG 3.85Å; W417-F425 HydrophobicContact CZ3-CB 3.83Å; W417-F425 HydrophobicContact CZ3-CD1 4.29Å; W417-F425 AromaticContact CZ3-CG 3.96Å; W417-F425 HydrophobicContact CZ3-CG 3.96Å; C421-F425 WeakPolarHBondContact O-CB 3.49Å; C421-F425 PolarHBondContact O-N 2.87Å; R422-F425 PolarHBondContact O-N 3.29Å; F425-K427 VanDerWaalsContact C-N 3.31Å; F425-K427 PolarHBondContact O-N 3.46Å; F425-I428 WeakPolarHBondContact O-CB 3.22Å; F425-I428 PolarHBondContact O-N 2.84Å; F425-I429 HydrophobicContact CD1-CG1 4.1Å; F425-I429 HydrophobicContact CD2-CG1 4.34Å; F425-I429 HydrophobicContact CE1-CD1 4.22Å; F425-I429 HydrophobicContact CE1-CG1 3.66Å; F425-I429 HydrophobicContact CE2-CD1 3.78Å; F425-I429 HydrophobicContact CE2-CG1 3.92Å; F425-I429 HydrophobicContact CG-CG1 4.42Å; F425-I429 HydrophobicContact CZ-CD1 3.6Å; F425-I429 HydrophobicContact CZ-CG1 3.57Å; F425-I429 WeakPolarHBondContact O-CG1 3.11Å; F425-I429 PolarHBondContact O-N 3.49Å; F425-L456 HydrophobicContact CD2-CD1 4.24Å; F425-L456 HydrophobicContact CE2-CD1 3.93Å; F425-L470 HydrophobicContact CD2-CD2 4.26Å; F425-L470 HydrophobicContact CE2-CB 4.46Å; F425-L470 HydrophobicContact CE2-CD2 3.69Å; F425-L470 HydrophobicContact CZ-CB 4.45Å; F425-L470 HydrophobicContact CZ-CD2 4.24Å; F425-L470 WeakPolarHBondContact CZ-O 3.17Å; F425-T473 HydrophobicContact CD1-CG2 3.72Å; F425-T473 HydrophobicContact CE1-CG2 3.54Å; F425-T473 HydrophobicContact CZ-CG2 4.49Å
426D96.1Very high94.4Very high35 Ų3551.8 Ų51.819%0.18724%0.237CC..Hα-helixtrans-59.5-40.8179.3-67.2-14.2000111.4R422 L424 I429 L430 I477R422-D426 WeakPolarHBondContact CD-OD1 3.2Å; R422-D426 IonicContact CZ-OD1 3.12Å; R422-D426 IonicContact NE-OD1 3.61Å; R422-D426 PolarHBondContact NE-OD1 3.25Å; R422-D426 IonicContact NE-OD2 2.68Å; R422-D426 PolarHBondContact NE-OD2 3.01Å; R422-D426 VanDerWaalsContact NE-OD2 3.16Å; R422-D426 IonicContact NH2-OD1 2.78Å; R422-D426 VanDerWaalsContact O-CB 3.31Å; R422-D426 WeakPolarHBondContact O-CB 3.39Å; R422-D426 PolarHBondContact O-N 3.15Å; L424-D426 PolarHBondContact O-N 3.48Å; D426-I429 PolarHBondContact O-N 2.88Å; D426-L430 WeakPolarHBondContact O-CG 3.33Å; D426-L430 PolarHBondContact O-N 3.48Å; D426-I477 HydrophobicContact CB-CD1 3.43Å; D426-I477 VanDerWaalsContact CB-CD1 3.43Å; D426-I477 VanDerWaalsContact CG-CD1 3.42Å; D426-I477 VanDerWaalsContact OD1-CD1 3.27Å; D426-I477 WeakPolarHBondContact OD1-CD1 3.43Å
427K95.8Very high94.2Very high100 Ų10049.3 Ų49.344%0.43523%0.231SC..Hα-helixtrans-64-39.4171.8-72.3162.7-171.1168.20112.8L343 Q423 L424 F425 C431L343-K427 HydrophobicContact CD1-CB 4.25Å; Q423-K427 WeakPolarHBondContact O-CB 3.44Å; Q423-K427 WeakPolarHBondContact O-CD 3.39Å; Q423-K427 WeakPolarHBondContact O-CG 3.25Å; Q423-K427 PolarHBondContact O-N 3.29Å; L424-K427 PolarHBondContact O-N 2.86Å; F425-K427 VanDerWaalsContact C-N 3.31Å; F425-K427 PolarHBondContact O-N 3.46Å; K427-C431 VanDerWaalsContact O-CB 3.23Å; K427-C431 WeakPolarHBondContact O-CB 3.13Å; K427-C431 PolarHBondContact O-N 2.88Å
428I96.1Very high93.9Very high0 Ų050.9 Ų50.90%025%0.245CC..Hα-helixtrans-65.1-44.8176.4-70.5156.4000110.8M340 L343 L344 L347 L424 F425 C431 R432 L452 L456M340-I428 HydrophobicContact CG-CG2 4.25Å; M340-I428 HydrophobicContact SD-CG2 4.24Å; L343-I428 HydrophobicContact CB-CD1 4.15Å; L343-I428 HydrophobicContact CB-CG1 3.53Å; L343-I428 HydrophobicContact CD1-CG1 4.29Å; L344-I428 HydrophobicContact CD2-CD1 3.98Å; L344-I428 HydrophobicContact CD2-CG1 4.44Å; L344-I428 HydrophobicContact CD2-CG2 4.28Å; L347-I428 HydrophobicContact CB-CD1 3.96Å; L347-I428 HydrophobicContact CD2-CD1 3.5Å; L347-I428 VanDerWaalsContact CD2-CD1 3.5Å; L347-I428 HydrophobicContact CG-CD1 4.34Å; L424-I428 WeakPolarHBondContact O-CD1 3.29Å; L424-I428 VanDerWaalsContact O-CG1 3.31Å; L424-I428 WeakPolarHBondContact O-CG1 3.39Å; L424-I428 PolarHBondContact O-N 2.91Å; F425-I428 WeakPolarHBondContact O-CB 3.22Å; F425-I428 PolarHBondContact O-N 2.84Å; I428-C431 PolarHBondContact O-N 3.23Å; I428-R432 WeakPolarHBondContact O-CB 3.48Å; I428-R432 PolarHBondContact O-N 2.99Å; I428-L452 HydrophobicContact CG2-CD2 3.73Å; I428-L456 HydrophobicContact CD1-CD2 4.48Å; I428-L456 HydrophobicContact CG2-CD2 4.37Å
429I95.5Very high93.5Very high0 Ų049.4 Ų49.40%024%0.237CC..Hα-helixtrans-61.3-46.8177.3-63.6-62.7000110.5F425 D426 R432 L433 L449 F453 I477F425-I429 HydrophobicContact CD1-CG1 4.1Å; F425-I429 HydrophobicContact CD2-CG1 4.34Å; F425-I429 HydrophobicContact CE1-CD1 4.22Å; F425-I429 HydrophobicContact CE1-CG1 3.66Å; F425-I429 HydrophobicContact CE2-CD1 3.78Å; F425-I429 HydrophobicContact CE2-CG1 3.92Å; F425-I429 HydrophobicContact CG-CG1 4.42Å; F425-I429 HydrophobicContact CZ-CD1 3.6Å; F425-I429 HydrophobicContact CZ-CG1 3.57Å; F425-I429 WeakPolarHBondContact O-CG1 3.11Å; F425-I429 PolarHBondContact O-N 3.49Å; D426-I429 PolarHBondContact O-N 2.88Å; I429-R432 PolarHBondContact O-N 3.48Å; I429-L433 HydrophobicContact CG2-CD1 3.94Å; I429-L433 WeakPolarHBondContact O-CG 3.41Å; I429-L433 PolarHBondContact O-N 3.47Å; I429-L449 HydrophobicContact CD1-CD1 3.77Å; I429-L449 HydrophobicContact CD1-CD2 4.46Å; I429-L449 HydrophobicContact CD1-CG 4.39Å; I429-L449 HydrophobicContact CG2-CD1 4.21Å; I429-L449 HydrophobicContact CG2-CD2 3.96Å; I429-F453 HydrophobicContact CD1-CE1 3.81Å; I429-I477 HydrophobicContact CB-CG2 4.41Å; I429-I477 HydrophobicContact CG2-CB 4.08Å; I429-I477 HydrophobicContact CG2-CG2 3.72Å
430L94.4Very high93Very high79 Ų7951 Ų5141%0.41424%0.242SC..Hα-helixtrans-58.7-50.8173.8-76.2170.1000111.8D426 R432 L433 E434 I477D426-L430 WeakPolarHBondContact O-CG 3.33Å; D426-L430 PolarHBondContact O-N 3.48Å; L430-R432 VanDerWaalsContact C-N 3.27Å; L430-R432 PolarHBondContact O-N 3.38Å; L430-L433 PolarHBondContact O-N 2.83Å; L430-E434 WeakPolarHBondContact O-CG 3.34Å; L430-E434 PolarHBondContact O-N 3.2Å; L430-I477 HydrophobicContact CD2-CG2 3.57Å; L430-I477 HydrophobicContact CG-CG2 3.7Å
431C93.6Very high92.6Very high6 Ų647.7 Ų47.74%0.04123%0.227CC..Hα-helixtrans-57.7-39.2178.9-173.60000111.9Q336 L343 K427 I428 E434 S435Q336-C431 PolarHBondContact NE2-O 2.93Å; L343-C431 HydrophobicContact CD1-CB 4.26Å; K427-C431 VanDerWaalsContact O-CB 3.23Å; K427-C431 WeakPolarHBondContact O-CB 3.13Å; K427-C431 PolarHBondContact O-N 2.88Å; I428-C431 PolarHBondContact O-N 3.23Å; C431-E434 WeakPolarHBondContact O-CB 3.46Å; C431-S435 PolarHBondContact O-N 3.36Å; C431-S435 VanDerWaalsContact O-N 3.1Å; C431-S435 PolarHBondContact O-OG 3.2Å
432R94Very high92.1Very high33 Ų3357.4 Ų57.413%0.12527%0.269CS..Hα-helixtrans-68.5-34.8175.8-166.868.5-179.1-173.84.7112.7I428 I429 L430 S435 Y436 Y448 L449 L452I428-R432 WeakPolarHBondContact O-CB 3.48Å; I428-R432 PolarHBondContact O-N 2.99Å; I429-R432 PolarHBondContact O-N 3.48Å; L430-R432 VanDerWaalsContact C-N 3.27Å; L430-R432 PolarHBondContact O-N 3.38Å; R432-S435 WeakPolarHBondContact O-CB 3.39Å; R432-S435 PolarHBondContact O-N 2.66Å; R432-S435 PolarHBondContact O-OG 3.14Å; R432-Y436 PolarHBondContact O-N 3.03Å; R432-Y448 HydrophobicContact CG-CD1 4.43Å; R432-Y448 HydrophobicContact CG-CE1 3.98Å; R432-Y448 PolarHBondContact NH2-OH 3.24Å; R432-Y448 WeakPolarHBondContact O-CE1 3.37Å; R432-L449 HydrophobicContact CB-CD1 4.06Å; R432-L449 HydrophobicContact CG-CD1 4Å; R432-L452 HydrophobicContact CB-CD2 4Å; R432-L452 HydrophobicContact CG-CB 4.48Å; R432-L452 HydrophobicContact CG-CD2 3.88Å
433L93.4Very high91.6Very high0 Ų056.1 Ų56.10%028%0.281CS..Hα-helixtrans-75.8-36.3176.9-69.4169000112I429 L430 S435 Y436 K437 L449 I477 F478 F481I429-L433 HydrophobicContact CG2-CD1 3.94Å; I429-L433 WeakPolarHBondContact O-CG 3.41Å; I429-L433 PolarHBondContact O-N 3.47Å; L430-L433 PolarHBondContact O-N 2.83Å; L433-S435 VanDerWaalsContact C-N 3.25Å; L433-S435 PolarHBondContact O-N 3.19Å; L433-Y436 WeakPolarHBondContact O-CB 3.45Å; L433-Y436 PolarHBondContact O-N 2.86Å; L433-Y436 VanDerWaalsContact O-N 3.15Å; L433-K437 PolarHBondContact O-N 3.27Å; L433-L449 HydrophobicContact CD1-CD2 4.26Å; L433-L449 HydrophobicContact CD2-CB 4.39Å; L433-L449 HydrophobicContact CD2-CD2 4.23Å; L433-L449 HydrophobicContact CG-CD1 4.45Å; L433-L449 HydrophobicContact CG-CD2 4.39Å; L433-I477 HydrophobicContact CD1-CG2 4.48Å; L433-F478 HydrophobicContact CD1-CD2 4.36Å; L433-F478 HydrophobicContact CD2-CD2 3.96Å; L433-F478 HydrophobicContact CD2-CE2 4.32Å; L433-F481 HydrophobicContact CB-CD1 3.81Å; L433-F481 HydrophobicContact CB-CD2 3.72Å; L433-F481 HydrophobicContact CB-CE1 3.82Å; L433-F481 HydrophobicContact CB-CE2 3.73Å; L433-F481 HydrophobicContact CB-CG 3.76Å; L433-F481 HydrophobicContact CB-CZ 3.79Å; L433-F481 HydrophobicContact CD1-CB 3.87Å; L433-F481 HydrophobicContact CD1-CD1 4.27Å; L433-F481 HydrophobicContact CD1-CD2 4.48Å; L433-F481 HydrophobicContact CD1-CG 3.96Å; L433-F481 HydrophobicContact CD2-CD1 4.24Å; L433-F481 HydrophobicContact CG-CD1 4.33Å; L433-F481 HydrophobicContact CG-CG 4.35Å; L433-F481 WeakPolarHBondContact O-CZ 3.37Å
434E91.8Very high91.3Very high80 Ų8053 Ų5337%0.37427%0.271SS..Hα-helixtrans-54.1-43165.8-69.5175.4161.700111.2R339 L430 C431 Y436 K437 L438R339-E434 IonicContact CZ-OE2 3.83Å; R339-E434 IonicContact NE-OE2 2.85Å; R339-E434 PolarHBondContact NE-OE2 2.78Å; R339-E434 IonicContact NH2-OE1 2.9Å; R339-E434 PolarHBondContact NH2-OE1 2.89Å; R339-E434 IonicContact NH2-OE2 3.92Å; R339-E434 PolarHBondContact NH2-OE2 3.32Å; L430-E434 WeakPolarHBondContact O-CG 3.34Å; L430-E434 PolarHBondContact O-N 3.2Å; C431-E434 WeakPolarHBondContact O-CB 3.46Å; E434-Y436 VanDerWaalsContact C-N 3.32Å; E434-Y436 PolarHBondContact O-N 2.95Å; E434-K437 PolarHBondContact O-N 3.14Å; E434-L438 VanDerWaalsContact O-CB 3.28Å; E434-L438 WeakPolarHBondContact O-CB 3.37Å; E434-L438 PolarHBondContact O-N 2.85Å
435S91.1Very high91.1Very high3 Ų352.3 Ų52.32%0.02127%0.268CS..Hα-helixtrans-54.9-45.8175.7-430000112.5Q336 C431 R432 L433 K437 L438 L439Q336-S435 VanDerWaalsContact CG-CB 3.48Å; Q336-S435 WeakPolarHBondContact CG-OG 3.48Å; Q336-S435 PolarHBondContact NE2-OG 3.3Å; C431-S435 PolarHBondContact O-N 3.36Å; C431-S435 VanDerWaalsContact O-N 3.1Å; C431-S435 PolarHBondContact O-OG 3.2Å; R432-S435 WeakPolarHBondContact O-CB 3.39Å; R432-S435 PolarHBondContact O-N 2.66Å; R432-S435 PolarHBondContact O-OG 3.14Å; L433-S435 VanDerWaalsContact C-N 3.25Å; L433-S435 PolarHBondContact O-N 3.19Å; S435-K437 VanDerWaalsContact C-N 3.34Å; S435-K437 PolarHBondContact O-N 3.05Å; S435-L438 PolarHBondContact O-N 3.42Å; S435-L439 VanDerWaalsContact O-CB 3.24Å; S435-L439 WeakPolarHBondContact O-CB 3.44Å; S435-L439 VanDerWaalsContact O-CG 3.29Å; S435-L439 WeakPolarHBondContact O-CG 3.48Å; S435-L439 PolarHBondContact O-N 2.98Å
436Y91Very high90.9Very high26 Ų2655.5 Ų55.510%0.10228%0.283CS..Hα-helixtrans-59.1-46-177.1176.9-93.1000111.6R432 L433 E434 N440 I441 G443 A445 Y448 L487R432-Y436 PolarHBondContact O-N 3.03Å; L433-Y436 WeakPolarHBondContact O-CB 3.45Å; L433-Y436 PolarHBondContact O-N 2.86Å; L433-Y436 VanDerWaalsContact O-N 3.15Å; E434-Y436 VanDerWaalsContact C-N 3.32Å; E434-Y436 PolarHBondContact O-N 2.95Å; Y436-N440 PolarHBondContact O-N 2.65Å; Y436-I441 HydrophobicContact CD2-CB 3.79Å; Y436-I441 HydrophobicContact CD2-CG2 4.24Å; Y436-I441 HydrophobicContact CE2-CB 3.97Å; Y436-I441 HydrophobicContact CE2-CG2 4.23Å; Y436-I441 WeakPolarHBondContact CE2-O 3.45Å; Y436-I441 PolarHBondContact O-N 2.93Å; Y436-I441 PolarHBondContact OH-O 3.1Å; Y436-G443 PolarHBondContact OH-O 3Å; Y436-G443 VanDerWaalsContact OH-O 3.09Å; Y436-A445 HydrophobicContact CD1-CB 3.92Å; Y436-A445 HydrophobicContact CD2-CB 4.24Å; Y436-A445 HydrophobicContact CE1-CB 3.74Å; Y436-A445 HydrophobicContact CE2-CB 4.07Å; Y436-A445 HydrophobicContact CG-CB 4.18Å; Y436-Y448 AromaticContact CD2-CD1 3.94Å; Y436-Y448 HydrophobicContact CD2-CD1 3.94Å; Y436-Y448 AromaticContact CD2-CG 3.9Å; Y436-Y448 HydrophobicContact CD2-CG 3.9Å; Y436-Y448 HydrophobicContact CG-CD1 4.36Å; Y436-L487 HydrophobicContact CD1-CD1 4.17Å; Y436-L487 HydrophobicContact CE1-CD1 3.98Å; Y436-L487 HydrophobicContact CE1-CD2 4.38Å
437K87.6Confident90.7Very high130 Ų13058.8 Ų58.857%0.56530%0.297SS*.Hα-helixtrans-69.3-47.4176.9-171.3178.2-175.7-178.30111.8L433 E434 S435 L439 N440 F481 N485L433-K437 PolarHBondContact O-N 3.27Å; E434-K437 PolarHBondContact O-N 3.14Å; S435-K437 VanDerWaalsContact C-N 3.34Å; S435-K437 PolarHBondContact O-N 3.05Å; K437-L439 PolarHBondContact O-N 2.96Å; K437-N440 PolarHBondContact O-N 3.09Å; K437-F481 HydrophobicContact CB-CZ 4.31Å; K437-N485 VanDerWaalsContact CD-OD1 3.26Å; K437-N485 WeakPolarHBondContact CD-OD1 3.23Å; K437-N485 WeakPolarHBondContact CE-OD1 3.31Å; K437-N485 PolarHBondContact NZ-OD1 2.75Å
438L85.9Confident90.6Very high112 Ų11255 Ų5559%0.58628%0.28SS*.Hα-helixtrans-66.9-33.8-175.1-176.561.9000113.4E434 S435E434-L438 VanDerWaalsContact O-CB 3.28Å; E434-L438 WeakPolarHBondContact O-CB 3.37Å; E434-L438 PolarHBondContact O-N 2.85Å; S435-L438 PolarHBondContact O-N 3.42Å
439L84.7Confident90.5Very high18 Ų1855 Ų559%0.09428%0.28CS..THydrogen-bonded Turntrans-89.7-2.7178.2-61.4170.7000113.1K332 E333 S435 K437 I441K332-L439 HydrophobicContact CB-CD2 3.5Å; E333-L439 HydrophobicContact CB-CD1 4.25Å; E333-L439 HydrophobicContact CB-CD2 4.48Å; E333-L439 HydrophobicContact CG-CD1 4.04Å; S435-L439 VanDerWaalsContact O-CB 3.24Å; S435-L439 WeakPolarHBondContact O-CB 3.44Å; S435-L439 VanDerWaalsContact O-CG 3.29Å; S435-L439 WeakPolarHBondContact O-CG 3.48Å; S435-L439 PolarHBondContact O-N 2.98Å; K437-L439 PolarHBondContact O-N 2.96Å; L439-I441 HydrophobicContact CB-CD1 4.01Å; L439-I441 HydrophobicContact CB-CG1 3.68Å; L439-I441 HydrophobicContact CD1-CD1 4.15Å; L439-I441 PolarHBondContact O-N 2.93Å
440N85.2Confident90.4Very high141 Ų14159.5 Ų59.575%0.75430%0.298SS*.THydrogen-bonded Turntrans47.456.2-176.4-167.212.9000112.5Y436 K437Y436-N440 PolarHBondContact O-N 2.65Å; K437-N440 PolarHBondContact O-N 3.09Å
441I87.3Confident90.3Very high35 Ų3562.6 Ų62.618%0.17930%0.304CS..  trans-77.7129.6-172.9-56-174.2000109.9Y436 L439 Y448Y436-I441 HydrophobicContact CD2-CB 3.79Å; Y436-I441 HydrophobicContact CD2-CG2 4.24Å; Y436-I441 HydrophobicContact CE2-CB 3.97Å; Y436-I441 HydrophobicContact CE2-CG2 4.23Å; Y436-I441 WeakPolarHBondContact CE2-O 3.45Å; Y436-I441 PolarHBondContact O-N 2.93Å; Y436-I441 PolarHBondContact OH-O 3.1Å; L439-I441 HydrophobicContact CB-CD1 4.01Å; L439-I441 HydrophobicContact CB-CG1 3.68Å; L439-I441 HydrophobicContact CD1-CD1 4.15Å; L439-I441 PolarHBondContact O-N 2.93Å; I441-Y448 HydrophobicContact CD1-CD2 3.74Å; I441-Y448 HydrophobicContact CD1-CE1 4.09Å; I441-Y448 HydrophobicContact CD1-CE2 3.21Å; I441-Y448 HydrophobicContact CD1-CG 4.37Å; I441-Y448 HydrophobicContact CG2-CD2 4.27Å
442K84.8Confident90.3Very high203 Ų20362.5 Ų62.588%0.88330%0.303SS*.  trans-81.9128.2173.9-60.8-171177.6-168.10110.4
443G85.8Confident90.4Very high55 Ų5561 Ų6157%0.56730%0.297SS*.SBendtrans148.5-155.8176.200000111.4Y436Y436-G443 PolarHBondContact OH-O 3Å; Y436-G443 VanDerWaalsContact OH-O 3.09Å
444S90.1Very high90.5Very high37 Ų3764.4 Ų64.426%0.25932%0.319SS..  trans-93.7133.5162.4-178.60000110E446 E447 Y448S444-E446 PolarHBondContact O-N 2.91Å; S444-E446 WeakPolarHBondContact OG-CB 3.16Å; S444-E446 PolarHBondContact OG-N 3.39Å; S444-E447 PolarHBondContact O-N 2.97Å; S444-Y448 PolarHBondContact O-N 2.96Å; S444-Y448 VanDerWaalsContact O-N 3.11Å
445A91.6Very high90.5Very high6 Ų663.3 Ų63.35%0.0532%0.318CS..Hα-helixtrans-57.9-31.8171.300000111.7Y436 Y448 L449 F478Y436-A445 HydrophobicContact CD1-CB 3.92Å; Y436-A445 HydrophobicContact CD2-CB 4.24Å; Y436-A445 HydrophobicContact CE1-CB 3.74Å; Y436-A445 HydrophobicContact CE2-CB 4.07Å; Y436-A445 HydrophobicContact CG-CB 4.18Å; A445-Y448 PolarHBondContact O-N 3.39Å; A445-L449 WeakPolarHBondContact O-CB 3.32Å; A445-L449 PolarHBondContact O-N 3Å; A445-F478 HydrophobicContact CB-CE2 3.89Å; A445-F478 HydrophobicContact CB-CZ 4.45Å
446E92.9Very high90.7Very high67 Ų6763.1 Ų63.131%0.31332%0.317SS..Hα-helixtrans-59.7-46.7176.8-161.7-163.4165.100111.8S444 L449 R450 W471 F478S444-E446 PolarHBondContact O-N 2.91Å; S444-E446 WeakPolarHBondContact OG-CB 3.16Å; S444-E446 PolarHBondContact OG-N 3.39Å; E446-L449 PolarHBondContact O-N 3.06Å; E446-R450 VanDerWaalsContact CD-NH1 3.28Å; E446-R450 WeakPolarHBondContact O-CG 3.41Å; E446-R450 PolarHBondContact O-N 3.23Å; E446-R450 IonicContact OE1-CZ 2.71Å; E446-R450 IonicContact OE1-NH1 3.75Å; E446-R450 PolarHBondContact OE1-NH1 3.39Å; E446-R450 IonicContact OE1-NH2 3.93Å; E446-R450 PolarHBondContact OE1-NH2 2.99Å; E446-W471 HydrophobicContact CB-CH2 4.48Å; E446-W471 HydrophobicContact CG-CH2 3.51Å; E446-W471 HydrophobicContact CG-CZ2 3.95Å; E446-W471 HydrophobicContact CG-CZ3 4.26Å; E446-F478 HydrophobicContact CB-CE1 4.32Å; E446-F478 HydrophobicContact CB-CE2 4.17Å; E446-F478 HydrophobicContact CB-CZ 3.65Å; E446-F478 HydrophobicContact CG-CE1 4.26Å; E446-F478 HydrophobicContact CG-CZ 4.07Å
447E92.6Very high90.9Very high103 Ų10364 Ų6448%0.48132%0.322SS..Hα-helixtrans-74.2-36.6179.7-162.1-151.2119.200111.4S444 L449 R451S444-E447 PolarHBondContact O-N 2.97Å; E447-L449 VanDerWaalsContact C-N 3.3Å; E447-L449 PolarHBondContact O-N 3.43Å; E447-R451 WeakPolarHBondContact O-CB 3.37Å; E447-R451 PolarHBondContact O-N 2.89Å; E447-R451 VanDerWaalsContact O-N 3.1Å; E447-R451 PolarHBondContact O-NH1 2.98Å; E447-R451 IonicContact OE1-CZ 2.94Å; E447-R451 IonicContact OE1-NH1 2.78Å; E447-R451 PolarHBondContact OE1-NH1 3.5Å; E447-R451 IonicContact OE1-NH2 2.92Å; E447-R451 PolarHBondContact OE1-NH2 3Å
448Y92.4Very high91.2Very high20 Ų2063.5 Ų63.58%0.07832%0.322CS..Hα-helixtrans-63.2-36.7172.8-177.6-100000112.2R432 Y436 I441 S444 A445R432-Y448 HydrophobicContact CG-CD1 4.43Å; R432-Y448 HydrophobicContact CG-CE1 3.98Å; R432-Y448 PolarHBondContact NH2-OH 3.24Å; R432-Y448 WeakPolarHBondContact O-CE1 3.37Å; Y436-Y448 AromaticContact CD2-CD1 3.94Å; Y436-Y448 HydrophobicContact CD2-CD1 3.94Å; Y436-Y448 AromaticContact CD2-CG 3.9Å; Y436-Y448 HydrophobicContact CD2-CG 3.9Å; Y436-Y448 HydrophobicContact CG-CD1 4.36Å; I441-Y448 HydrophobicContact CD1-CD2 3.74Å; I441-Y448 HydrophobicContact CD1-CE1 4.09Å; I441-Y448 HydrophobicContact CD1-CE2 3.21Å; I441-Y448 HydrophobicContact CD1-CG 4.37Å; I441-Y448 HydrophobicContact CG2-CD2 4.27Å; S444-Y448 PolarHBondContact O-N 2.96Å; S444-Y448 VanDerWaalsContact O-N 3.11Å; A445-Y448 PolarHBondContact O-N 3.39Å
449L94.5Very high91.6Very high0 Ų060.4 Ų60.40%031%0.306CS..Hα-helixtrans-72.6-48.1175.3-174.359.4000112I429 R432 L433 A445 E446 E447 R451 L452 F453 W471 F478I429-L449 HydrophobicContact CD1-CD1 3.77Å; I429-L449 HydrophobicContact CD1-CD2 4.46Å; I429-L449 HydrophobicContact CD1-CG 4.39Å; I429-L449 HydrophobicContact CG2-CD1 4.21Å; I429-L449 HydrophobicContact CG2-CD2 3.96Å; R432-L449 HydrophobicContact CB-CD1 4.06Å; R432-L449 HydrophobicContact CG-CD1 4Å; L433-L449 HydrophobicContact CD1-CD2 4.26Å; L433-L449 HydrophobicContact CD2-CB 4.39Å; L433-L449 HydrophobicContact CD2-CD2 4.23Å; L433-L449 HydrophobicContact CG-CD1 4.45Å; L433-L449 HydrophobicContact CG-CD2 4.39Å; A445-L449 WeakPolarHBondContact O-CB 3.32Å; A445-L449 PolarHBondContact O-N 3Å; E446-L449 PolarHBondContact O-N 3.06Å; E447-L449 VanDerWaalsContact C-N 3.3Å; E447-L449 PolarHBondContact O-N 3.43Å; L449-R451 PolarHBondContact O-N 3.37Å; L449-R451 VanDerWaalsContact O-N 3.15Å; L449-L452 VanDerWaalsContact O-CB 3.28Å; L449-L452 WeakPolarHBondContact O-CB 3.45Å; L449-L452 PolarHBondContact O-N 2.92Å; L449-F453 HydrophobicContact CG-CE1 4.19Å; L449-F453 HydrophobicContact CG-CZ 4.33Å; L449-W471 HydrophobicContact CD2-CZ3 4.14Å; L449-F478 HydrophobicContact CD2-CB 4.22Å; L449-F478 HydrophobicContact CD2-CD2 3.93Å; L449-F478 HydrophobicContact CD2-CG 4.41Å
450R93.7Very high92.1Very high96 Ų9660.2 Ų60.236%0.36230%0.304SS..Hα-helixtrans-58.3-29.4177.6-75.5-174-172.9122.79113.2E446 L452 F453 P454 W471E446-R450 VanDerWaalsContact CD-NH1 3.28Å; E446-R450 WeakPolarHBondContact O-CG 3.41Å; E446-R450 PolarHBondContact O-N 3.23Å; E446-R450 IonicContact OE1-CZ 2.71Å; E446-R450 IonicContact OE1-NH1 3.75Å; E446-R450 PolarHBondContact OE1-NH1 3.39Å; E446-R450 IonicContact OE1-NH2 3.93Å; E446-R450 PolarHBondContact OE1-NH2 2.99Å; R450-L452 PolarHBondContact O-N 3.34Å; R450-F453 HydrophobicContact CG-CD2 4.38Å; R450-F453 HydrophobicContact CG-CE2 4.12Å; R450-F453 PolarHBondContact O-N 3.07Å; R450-F453 VanDerWaalsContact O-N 3.07Å; R450-P454 WeakPolarHBondContact O-CD 3.36Å; R450-W471 HydrophobicContact CG-CE3 3.91Å; R450-W471 HydrophobicContact CG-CZ3 4.15Å; R450-W471 VanDerWaalsContact NH2-CZ2 3.3Å
451R92.8Very high92.5Very high143 Ų14356.2 Ų56.254%0.5429%0.286SS..THydrogen-bonded Turntrans-62.7-16.5175.2-174.1169.7-80107.2-5.1113.9E447 L449E447-R451 WeakPolarHBondContact O-CB 3.37Å; E447-R451 PolarHBondContact O-N 2.89Å; E447-R451 VanDerWaalsContact O-N 3.1Å; E447-R451 PolarHBondContact O-NH1 2.98Å; E447-R451 IonicContact OE1-CZ 2.94Å; E447-R451 IonicContact OE1-NH1 2.78Å; E447-R451 PolarHBondContact OE1-NH1 3.5Å; E447-R451 IonicContact OE1-NH2 2.92Å; E447-R451 PolarHBondContact OE1-NH2 3Å; L449-R451 PolarHBondContact O-N 3.37Å; L449-R451 VanDerWaalsContact O-N 3.15Å
452L94.1Very high92.8Very high5 Ų561.7 Ų61.73%0.02632%0.315CS..THydrogen-bonded Turntrans-80.3-28.4172.3-178.962.8000113.2M340 I428 R432 L449 R450 T455 L456M340-L452 HydrophobicContact CE-CD1 3.88Å; M340-L452 HydrophobicContact SD-CD1 3.89Å; M340-L452 HydrophobicContact SD-CD2 4.09Å; I428-L452 HydrophobicContact CG2-CD2 3.73Å; R432-L452 HydrophobicContact CB-CD2 4Å; R432-L452 HydrophobicContact CG-CB 4.48Å; R432-L452 HydrophobicContact CG-CD2 3.88Å; L449-L452 VanDerWaalsContact O-CB 3.28Å; L449-L452 WeakPolarHBondContact O-CB 3.45Å; L449-L452 PolarHBondContact O-N 2.92Å; R450-L452 PolarHBondContact O-N 3.34Å; L452-T455 WeakPolarHBondContact O-CB 3.38Å; L452-T455 PolarHBondContact O-N 3.34Å; L452-T455 VanDerWaalsContact O-N 3.07Å; L452-L456 HydrophobicContact CD2-CD1 3.99Å; L452-L456 HydrophobicContact CD2-CG 4.49Å; L452-L456 HydrophobicContact CG-CD1 3.91Å; L452-L456 HydrophobicContact CG-CG 4.05Å; L452-L456 PolarHBondContact O-N 2.95Å; L452-L456 VanDerWaalsContact O-N 3.16Å
453F95.7Very high93.2Very high2 Ų254.5 Ų54.51%0.00930%0.299CS..Hα-helixtrans-64.7-36.9-168.8-62.4-7.5000114.7I429 L449 R450 T455 L456 I457 N467 L470 W471I429-F453 HydrophobicContact CD1-CE1 3.81Å; L449-F453 HydrophobicContact CG-CE1 4.19Å; L449-F453 HydrophobicContact CG-CZ 4.33Å; R450-F453 HydrophobicContact CG-CD2 4.38Å; R450-F453 HydrophobicContact CG-CE2 4.12Å; R450-F453 PolarHBondContact O-N 3.07Å; R450-F453 VanDerWaalsContact O-N 3.07Å; F453-T455 PolarHBondContact O-N 3.14Å; F453-L456 HydrophobicContact CD1-CD1 4.2Å; F453-L456 PolarHBondContact O-N 3.25Å; F453-L456 VanDerWaalsContact O-N 3.12Å; F453-I457 VanDerWaalsContact O-CG1 3.31Å; F453-I457 WeakPolarHBondContact O-CG1 3.41Å; F453-I457 PolarHBondContact O-N 3.26Å; F453-N467 WeakPolarHBondContact CB-OD1 3.25Å; F453-L470 HydrophobicContact CB-CD1 4Å; F453-L470 HydrophobicContact CD1-CB 4.36Å; F453-L470 HydrophobicContact CD2-CB 4.02Å; F453-L470 HydrophobicContact CE1-CB 4.49Å; F453-L470 HydrophobicContact CE2-CB 4.16Å; F453-L470 HydrophobicContact CG-CB 4.13Å; F453-L470 HydrophobicContact CG-CD1 4.21Å; F453-L470 HydrophobicContact CZ-CB 4.39Å; F453-W471 HydrophobicContact CE2-CB 3.85Å; F453-W471 HydrophobicContact CE2-CD2 4.49Å; F453-W471 AromaticContact CE2-CE3 3.78Å; F453-W471 HydrophobicContact CE2-CE3 3.78Å; F453-W471 AromaticContact CZ-CE3 3.87Å; F453-W471 HydrophobicContact CZ-CE3 3.87Å
454P94.1Very high93.7Very high71 Ų7152.7 Ų52.746%0.46128%0.276SS..Hα-helixtrans-60-26.5173-26.236.4000114.1R450 Q458R450-P454 WeakPolarHBondContact O-CD 3.36Å; P454-Q458 PolarHBondContact O-NE2 2.82Å
455T92.8Very high93.9Very high56 Ų5651.7 Ų51.734%0.34427%0.267SS..Hα-helixtrans-77.8-43.7172.5-48.30000110.9L452 F453 I457 Q458L452-T455 WeakPolarHBondContact O-CB 3.38Å; L452-T455 PolarHBondContact O-N 3.34Å; L452-T455 VanDerWaalsContact O-N 3.07Å; F453-T455 PolarHBondContact O-N 3.14Å; T455-I457 PolarHBondContact O-N 3.46Å; T455-Q458 PolarHBondContact O-N 2.74Å
456L95.2Very high94.1Very high0 Ų055 Ų550%029%0.287CS..Hα-helixtrans-63.1-39.5179-73.3174.3000113.2L344 L347 F425 I428 L452 F453 Q458 L459 W460 L470L344-L456 HydrophobicContact CD2-CD2 3.42Å; L344-L456 VanDerWaalsContact CD2-CD2 3.42Å; L347-L456 HydrophobicContact CD2-CD2 4.11Å; F425-L456 HydrophobicContact CD2-CD1 4.24Å; F425-L456 HydrophobicContact CE2-CD1 3.93Å; I428-L456 HydrophobicContact CD1-CD2 4.48Å; I428-L456 HydrophobicContact CG2-CD2 4.37Å; L452-L456 HydrophobicContact CD2-CD1 3.99Å; L452-L456 HydrophobicContact CD2-CG 4.49Å; L452-L456 HydrophobicContact CG-CD1 3.91Å; L452-L456 HydrophobicContact CG-CG 4.05Å; L452-L456 PolarHBondContact O-N 2.95Å; L452-L456 VanDerWaalsContact O-N 3.16Å; F453-L456 HydrophobicContact CD1-CD1 4.2Å; F453-L456 PolarHBondContact O-N 3.25Å; F453-L456 VanDerWaalsContact O-N 3.12Å; L456-Q458 PolarHBondContact O-N 2.89Å; L456-Q458 VanDerWaalsContact O-N 3.12Å; L456-L459 HydrophobicContact CD2-CD1 4.1Å; L456-L459 WeakPolarHBondContact O-CB 3.41Å; L456-L459 WeakPolarHBondContact O-CG 3.45Å; L456-L459 PolarHBondContact O-N 2.99Å; L456-W460 HydrophobicContact CB-CZ3 4.39Å; L456-W460 VanDerWaalsContact O-CZ3 3.23Å; L456-W460 WeakPolarHBondContact O-CZ3 3.35Å; L456-L470 HydrophobicContact CB-CD1 4.08Å
457I94.9Very high94.2Very high43 Ų4355.5 Ų55.522%0.22129%0.292CS..G310 helixtrans-58.1-29.4-178.2-70.2168.2000112.1F453 T455 L459 W460 I465 N467 L470F453-I457 VanDerWaalsContact O-CG1 3.31Å; F453-I457 WeakPolarHBondContact O-CG1 3.41Å; F453-I457 PolarHBondContact O-N 3.26Å; T455-I457 PolarHBondContact O-N 3.46Å; I457-L459 PolarHBondContact O-N 3.42Å; I457-L459 VanDerWaalsContact O-N 3.16Å; I457-W460 PolarHBondContact O-N 2.77Å; I457-W460 VanDerWaalsContact O-N 3.07Å; I457-I465 HydrophobicContact CG1-CG2 4.26Å; I457-I465 HydrophobicContact CG2-CG2 4.45Å; I457-N467 HydrophobicContact CD1-CB 4.31Å; I457-N467 VanDerWaalsContact CD1-CG 3.43Å; I457-N467 VanDerWaalsContact CD1-ND2 3.34Å; I457-N467 WeakPolarHBondContact CD1-ND2 3.27Å; I457-N467 WeakPolarHBondContact CD1-OD1 3.28Å; I457-L470 HydrophobicContact CD1-CD1 4.25Å; I457-L470 HydrophobicContact CG1-CD1 3.59Å
458Q93.9Very high94.2Very high120 Ų12052.9 Ų52.956%0.56129%0.288SS*.G310 helixtrans-67.7-9.6178.2-66.4167.868.600113.9P454 T455 L456 W460P454-Q458 PolarHBondContact O-NE2 2.82Å; T455-Q458 PolarHBondContact O-N 2.74Å; L456-Q458 PolarHBondContact O-N 2.89Å; L456-Q458 VanDerWaalsContact O-N 3.12Å; Q458-W460 VanDerWaalsContact C-N 3.33Å
459L94.3Very high94.3Very high47 Ų4753.3 Ų53.325%0.24630%0.295CS..G310 helixtrans-80.4-13.5171.9-56.1177.5000113L347 I351 L456 I457L347-L459 HydrophobicContact CB-CD1 4.34Å; L347-L459 HydrophobicContact CD2-CD1 3.82Å; L347-L459 HydrophobicContact CG-CD1 3.98Å; I351-L459 HydrophobicContact CD1-CB 3.71Å; I351-L459 HydrophobicContact CD1-CD1 4.4Å; I351-L459 WeakPolarHBondContact CG2-O 3.45Å; L456-L459 HydrophobicContact CD2-CD1 4.1Å; L456-L459 WeakPolarHBondContact O-CB 3.41Å; L456-L459 WeakPolarHBondContact O-CG 3.45Å; L456-L459 PolarHBondContact O-N 2.99Å; I457-L459 PolarHBondContact O-N 3.42Å; I457-L459 VanDerWaalsContact O-N 3.16Å
460W95.7Very high94.4Very high14 Ų1453.3 Ų53.35%0.05330%0.295CS..SBendtrans-109.1150.7176.6-73.8-96.2000110.6L347 I351 Y415 W417 L456 I457 Q458 I465 L470L347-W460 HydrophobicContact CD2-CH2 4.28Å; I351-W460 HydrophobicContact CD1-CD2 3.73Å; I351-W460 VanDerWaalsContact CD1-CE2 3.48Å; I351-W460 HydrophobicContact CD1-CE3 3.91Å; I351-W460 HydrophobicContact CD1-CG 4.48Å; I351-W460 HydrophobicContact CD1-CH2 3.69Å; I351-W460 HydrophobicContact CD1-CZ2 3.48Å; I351-W460 VanDerWaalsContact CD1-CZ2 3.48Å; I351-W460 HydrophobicContact CD1-CZ3 3.88Å; I351-W460 HydrophobicContact CG1-CZ2 4.06Å; I351-W460 HydrophobicContact CG2-CG 4.29Å; Y415-W460 HydrophobicContact CD1-CZ2 4.26Å; Y415-W460 AromaticContact CD1-NE1 3.2Å; Y415-W460 AromaticContact CD2-CD1 3.73Å; Y415-W460 AromaticContact CD2-NE1 3.47Å; Y415-W460 HydrophobicContact CE1-CZ2 4.09Å; Y415-W460 AromaticContact CE1-NE1 3.38Å; Y415-W460 AromaticContact CE2-NE1 3.65Å; Y415-W460 AromaticContact CG-CD1 3.72Å; Y415-W460 AromaticContact CG-NE1 3.24Å; Y415-W460 AromaticContact CZ-NE1 3.61Å; W417-W460 HydrophobicContact CH2-CH2 4.23Å; W417-W460 HydrophobicContact CH2-CZ2 4.07Å; W417-W460 HydrophobicContact CZ3-CZ2 4.24Å; L456-W460 HydrophobicContact CB-CZ3 4.39Å; L456-W460 VanDerWaalsContact O-CZ3 3.23Å; L456-W460 WeakPolarHBondContact O-CZ3 3.35Å; I457-W460 PolarHBondContact O-N 2.77Å; I457-W460 VanDerWaalsContact O-N 3.07Å; Q458-W460 VanDerWaalsContact C-N 3.33Å; W460-I465 HydrophobicContact CB-CG2 3.82Å; W460-I465 HydrophobicContact CD2-CB 4.26Å; W460-I465 HydrophobicContact CD2-CD1 4.04Å; W460-I465 HydrophobicContact CD2-CG2 3.66Å; W460-I465 HydrophobicContact CE3-CD1 4.39Å; W460-I465 HydrophobicContact CE3-CG2 3.78Å; W460-I465 HydrophobicContact CG-CB 4.17Å; W460-I465 HydrophobicContact CG-CG2 3.69Å; W460-I465 HydrophobicContact CH2-CD1 3.97Å; W460-I465 HydrophobicContact CZ2-CD1 3.57Å; W460-I465 HydrophobicContact CZ3-CD1 4.37Å; W460-L470 HydrophobicContact CH2-CD2 4.02Å; W460-L470 HydrophobicContact CZ3-CD2 4.24Å
461P93.6Very high94.6Very high57 Ų5750.8 Ų50.837%0.3729%0.286SS..  trans-67.8161.3171.7-7.521.8000111.4M355 G463 W464M355-P461 HydrophobicContact CE-CG 4.36Å; M355-P461 HydrophobicContact CG-CG 3.94Å; M355-P461 HydrophobicContact SD-CG 3.98Å; P461-G463 PolarHBondContact O-N 2.97Å; P461-W464 VanDerWaalsContact O-CD1 3.31Å; P461-W464 PolarHBondContact O-N 3.32Å
462D93Very high94.7Very high150 Ų15052.6 Ų52.680%0.80229%0.293SS*.THydrogen-bonded Turntrans-56.7127.9-171-77.9-51.2000114.3K413K413-D462 PolarHBondContact NZ-O 3.06Å
463G93.2Very high94.7Very high53 Ų5353.1 Ų53.155%0.54630%0.296SS..THydrogen-bonded Turntrans79.75.1175.100000116K413 P461K413-G463 WeakPolarHBondContact CB-O 3.5Å; P461-G463 PolarHBondContact O-N 2.97Å
464W95.9Very high94.7Very high17 Ų1753 Ų536%0.06430%0.295CS..SBendtrans-82.2-23.2178.4-76100.5000114.8M355 I358 I359 Y362 K413 Y415 P461M355-W464 HydrophobicContact SD-CD2 4.36Å; M355-W464 HydrophobicContact SD-CG 4.43Å; I358-W464 HydrophobicContact CG2-CE3 4.04Å; I358-W464 HydrophobicContact CG2-CH2 3.88Å; I358-W464 HydrophobicContact CG2-CZ3 3.45Å; I358-W464 VanDerWaalsContact CG2-CZ3 3.45Å; I359-W464 HydrophobicContact CB-CZ2 4.46Å; I359-W464 HydrophobicContact CG1-CH2 4.45Å; I359-W464 HydrophobicContact CG1-CZ2 3.76Å; Y362-W464 HydrophobicContact CD1-CH2 4.19Å; Y362-W464 HydrophobicContact CD1-CZ2 4.26Å; Y362-W464 HydrophobicContact CD2-CH2 4.38Å; Y362-W464 AromaticContact CG-CH2 3.78Å; Y362-W464 HydrophobicContact CG-CH2 3.78Å; Y362-W464 HydrophobicContact CG-CZ2 4.31Å; K413-W464 HydrophobicContact CB-CD2 4.12Å; K413-W464 HydrophobicContact CB-CE3 4.01Å; K413-W464 HydrophobicContact CB-CZ3 4.36Å; K413-W464 HydrophobicContact CD-CD2 4.26Å; K413-W464 HydrophobicContact CD-CG 4.39Å; K413-W464 HydrophobicContact CG-CD2 4.27Å; K413-W464 HydrophobicContact CG-CE3 4.45Å; K413-W464 HydrophobicContact CG-CZ2 4.31Å; Y415-W464 WeakPolarHBondContact CB-O 3.42Å; Y415-W464 PolarHBondContact N-O 2.97Å; P461-W464 VanDerWaalsContact O-CD1 3.31Å; P461-W464 PolarHBondContact O-N 3.32Å
465I95.8Very high94.7Very high16 Ų1652.2 Ų52.28%0.08229%0.287CS..  trans-143.4161.8177.6-155.6159.9000110.5Y415 W417 I457 W460 A469 L470Y415-I465 HydrophobicContact CD1-CD1 4.4Å; W417-I465 HydrophobicContact CH2-CD1 4.2Å; W417-I465 HydrophobicContact CZ2-CD1 3.79Å; I457-I465 HydrophobicContact CG1-CG2 4.26Å; I457-I465 HydrophobicContact CG2-CG2 4.45Å; W460-I465 HydrophobicContact CB-CG2 3.82Å; W460-I465 HydrophobicContact CD2-CB 4.26Å; W460-I465 HydrophobicContact CD2-CD1 4.04Å; W460-I465 HydrophobicContact CD2-CG2 3.66Å; W460-I465 HydrophobicContact CE3-CD1 4.39Å; W460-I465 HydrophobicContact CE3-CG2 3.78Å; W460-I465 HydrophobicContact CG-CB 4.17Å; W460-I465 HydrophobicContact CG-CG2 3.69Å; W460-I465 HydrophobicContact CH2-CD1 3.97Å; W460-I465 HydrophobicContact CZ2-CD1 3.57Å; W460-I465 HydrophobicContact CZ3-CD1 4.37Å; I465-A469 HydrophobicContact CG1-CB 4.05Å; I465-L470 HydrophobicContact CD1-CD2 3.56Å; I465-L470 HydrophobicContact CD1-CG 4.18Å; I465-L470 HydrophobicContact CG1-CD2 4.19Å; I465-L470 HydrophobicContact CG1-CG 4.27Å
466T94.5Very high94.8Very high76 Ų7652.9 Ų52.947%0.46629%0.292SS..  trans-136.4159.3-17967.10000111.6A468 A469 L470T466-A468 PolarHBondContact O-N 3.27Å; T466-A469 WeakPolarHBondContact O-CB 3.3Å; T466-A469 PolarHBondContact O-N 3.18Å; T466-A469 PolarHBondContact OG1-N 2.89Å; T466-A469 VanDerWaalsContact OG1-N 3.12Å; T466-L470 PolarHBondContact O-N 3.34Å
467N94.6Very high94.8Very high77 Ų7754.1 Ų54.141%0.41230%0.298SS..Hα-helixtrans-53-35.9172.4-75.3-72.2000112.4F453 I457 W471F453-N467 WeakPolarHBondContact CB-OD1 3.25Å; I457-N467 HydrophobicContact CD1-CB 4.31Å; I457-N467 VanDerWaalsContact CD1-CG 3.43Å; I457-N467 VanDerWaalsContact CD1-ND2 3.34Å; I457-N467 WeakPolarHBondContact CD1-ND2 3.27Å; I457-N467 WeakPolarHBondContact CD1-OD1 3.28Å; N467-W471 WeakPolarHBondContact O-CB 3.49Å; N467-W471 PolarHBondContact O-N 3.39Å
468A94.3Very high94.8Very high48 Ų4853.2 Ų53.240%0.39729%0.293SS..Hα-helixtrans-75.8-27.7178.600000113.1T466 R472T466-A468 PolarHBondContact O-N 3.27Å; A468-R472 WeakPolarHBondContact O-CG 3.41Å; A468-R472 PolarHBondContact O-N 3.41Å; A468-R472 PolarHBondContact O-NH1 2.89Å
469A94.7Very high94.8Very high29 Ų2952.6 Ų52.624%0.2429%0.29CS..Hα-helixtrans-71.1-49.4170.200000110.6I465 T466 W471 R472 T473I465-A469 HydrophobicContact CG1-CB 4.05Å; T466-A469 WeakPolarHBondContact O-CB 3.3Å; T466-A469 PolarHBondContact O-N 3.18Å; T466-A469 PolarHBondContact OG1-N 2.89Å; T466-A469 VanDerWaalsContact OG1-N 3.12Å; A469-W471 VanDerWaalsContact C-N 3.3Å; A469-W471 PolarHBondContact O-N 3.18Å; A469-R472 PolarHBondContact O-N 3.01Å; A469-R472 VanDerWaalsContact O-N 3.16Å; A469-T473 PolarHBondContact O-N 3.34Å; A469-T473 PolarHBondContact O-OG1 2.76Å; A469-T473 VanDerWaalsContact O-OG1 3.13Å
470L96.4Very high94.8Very high0 Ų056.9 Ų56.90%031%0.307CS..Hα-helixtrans-57.7-41175.6-66177000112.2W417 F425 F453 L456 I457 W460 I465 T466 T473 G474W417-L470 HydrophobicContact CH2-CD2 4.07Å; W417-L470 HydrophobicContact CZ2-CD2 4.24Å; F425-L470 HydrophobicContact CD2-CD2 4.26Å; F425-L470 HydrophobicContact CE2-CB 4.46Å; F425-L470 HydrophobicContact CE2-CD2 3.69Å; F425-L470 HydrophobicContact CZ-CB 4.45Å; F425-L470 HydrophobicContact CZ-CD2 4.24Å; F425-L470 WeakPolarHBondContact CZ-O 3.17Å; F453-L470 HydrophobicContact CB-CD1 4Å; F453-L470 HydrophobicContact CD1-CB 4.36Å; F453-L470 HydrophobicContact CD2-CB 4.02Å; F453-L470 HydrophobicContact CE1-CB 4.49Å; F453-L470 HydrophobicContact CE2-CB 4.16Å; F453-L470 HydrophobicContact CG-CB 4.13Å; F453-L470 HydrophobicContact CG-CD1 4.21Å; F453-L470 HydrophobicContact CZ-CB 4.39Å; L456-L470 HydrophobicContact CB-CD1 4.08Å; I457-L470 HydrophobicContact CD1-CD1 4.25Å; I457-L470 HydrophobicContact CG1-CD1 3.59Å; W460-L470 HydrophobicContact CH2-CD2 4.02Å; W460-L470 HydrophobicContact CZ3-CD2 4.24Å; I465-L470 HydrophobicContact CD1-CD2 3.56Å; I465-L470 HydrophobicContact CD1-CG 4.18Å; I465-L470 HydrophobicContact CG1-CD2 4.19Å; I465-L470 HydrophobicContact CG1-CG 4.27Å; T466-L470 PolarHBondContact O-N 3.34Å; L470-T473 PolarHBondContact O-N 2.91Å; L470-G474 PolarHBondContact O-N 2.8Å
471W96.2Very high94.7Very high43 Ų4357 Ų5716%0.16331%0.308CS..Hα-helixtrans-60.3-49174.6-174.9-114.1000112.1E446 L449 R450 F453 N467 A469 T473 G474 L475 F478E446-W471 HydrophobicContact CB-CH2 4.48Å; E446-W471 HydrophobicContact CG-CH2 3.51Å; E446-W471 HydrophobicContact CG-CZ2 3.95Å; E446-W471 HydrophobicContact CG-CZ3 4.26Å; L449-W471 HydrophobicContact CD2-CZ3 4.14Å; R450-W471 HydrophobicContact CG-CE3 3.91Å; R450-W471 HydrophobicContact CG-CZ3 4.15Å; R450-W471 VanDerWaalsContact NH2-CZ2 3.3Å; F453-W471 HydrophobicContact CE2-CB 3.85Å; F453-W471 HydrophobicContact CE2-CD2 4.49Å; F453-W471 AromaticContact CE2-CE3 3.78Å; F453-W471 HydrophobicContact CE2-CE3 3.78Å; F453-W471 AromaticContact CZ-CE3 3.87Å; F453-W471 HydrophobicContact CZ-CE3 3.87Å; N467-W471 WeakPolarHBondContact O-CB 3.49Å; N467-W471 PolarHBondContact O-N 3.39Å; A469-W471 VanDerWaalsContact C-N 3.3Å; A469-W471 PolarHBondContact O-N 3.18Å; W471-T473 PolarHBondContact O-N 2.98Å; W471-G474 PolarHBondContact O-N 3.1Å; W471-L475 HydrophobicContact CH2-CD1 4.47Å; W471-L475 HydrophobicContact CZ2-CD1 3.68Å; W471-L475 WeakPolarHBondContact O-CB 3.48Å; W471-L475 PolarHBondContact O-N 3.26Å; W471-F478 HydrophobicContact CH2-CB 4.48Å; W471-F478 AromaticContact CH2-CD1 3.71Å; W471-F478 HydrophobicContact CH2-CD1 3.71Å; W471-F478 HydrophobicContact CH2-CD2 4.36Å; W471-F478 AromaticContact CH2-CE1 4Å; W471-F478 HydrophobicContact CH2-CE1 4Å; W471-F478 AromaticContact CH2-CG 3.9Å; W471-F478 HydrophobicContact CH2-CG 3.9Å; W471-F478 HydrophobicContact CH2-CZ 4.45Å; W471-F478 HydrophobicContact CZ2-CD1 4.24Å; W471-F478 HydrophobicContact CZ3-CG 4.5Å
472R95.6Very high94.5Very high181 Ų18155 Ų5568%0.68330%0.295SS*.Hα-helixtrans-61.7-41.2178.6-72.7179.6-173.1103.4-12.1112.2A468 A469A468-R472 WeakPolarHBondContact O-CG 3.41Å; A468-R472 PolarHBondContact O-N 3.41Å; A468-R472 PolarHBondContact O-NH1 2.89Å; A469-R472 PolarHBondContact O-N 3.01Å; A469-R472 VanDerWaalsContact O-N 3.16Å
473T94.5Very high94.4Very high15 Ų1551.4 Ų51.49%0.09228%0.282CS..Hα-helixtrans-63.8-40.8176.5-520000112.1W417 R422 F425 A469 L470 W471W417-T473 HydrophobicContact CD2-CG2 4.35Å; W417-T473 HydrophobicContact CH2-CG2 4Å; W417-T473 HydrophobicContact CZ2-CG2 3.71Å; W417-T473 VanDerWaalsContact CZ2-OG1 3.26Å; W417-T473 WeakPolarHBondContact CZ2-OG1 3.49Å; W417-T473 HydrophobicContact CZ3-CG2 4.43Å; W417-T473 PolarHBondContact NE1-OG1 2.87Å; R422-T473 PolarHBondContact NH2-O 2.93Å; R422-T473 VanDerWaalsContact NH2-O 3.12Å; F425-T473 HydrophobicContact CD1-CG2 3.72Å; F425-T473 HydrophobicContact CE1-CG2 3.54Å; F425-T473 HydrophobicContact CZ-CG2 4.49Å; A469-T473 PolarHBondContact O-N 3.34Å; A469-T473 PolarHBondContact O-OG1 2.76Å; A469-T473 VanDerWaalsContact O-OG1 3.13Å; L470-T473 PolarHBondContact O-N 2.91Å; W471-T473 PolarHBondContact O-N 2.98Å
474G95.3Very high94.2Very high0 Ų054 Ų540%028%0.283CS..Hα-helixtrans-84.8-15.3-177.700000115.5L470 W471 I477 F478L470-G474 PolarHBondContact O-N 2.8Å; W471-G474 PolarHBondContact O-N 3.1Å; G474-I477 WeakPolarHBondContact O-CB 3.39Å; G474-I477 PolarHBondContact O-N 2.83Å; G474-I477 VanDerWaalsContact O-N 3.15Å; G474-F478 PolarHBondContact O-N 3.04Å
475L95.1Very high93.7Very high54 Ų5455.3 Ų55.328%0.28329%0.291SS..Hα-helixtrans-57.3-43.5-173.6178.767.2000114.2W471 I477 F478 Q479W471-L475 HydrophobicContact CH2-CD1 4.47Å; W471-L475 HydrophobicContact CZ2-CD1 3.68Å; W471-L475 WeakPolarHBondContact O-CB 3.48Å; W471-L475 PolarHBondContact O-N 3.26Å; L475-I477 VanDerWaalsContact C-N 3.26Å; L475-I477 PolarHBondContact O-N 3.25Å; L475-F478 HydrophobicContact CD1-CD1 4.38Å; L475-F478 WeakPolarHBondContact O-CB 3.48Å; L475-F478 PolarHBondContact O-N 3.17Å; L475-Q479 HydrophobicContact CD1-CG 4.02Å; L475-Q479 HydrophobicContact CG-CG 4.29Å; L475-Q479 WeakPolarHBondContact O-CB 3.41Å; L475-Q479 WeakPolarHBondContact O-CG 3.49Å; L475-Q479 PolarHBondContact O-N 3.18Å
476P94.6Very high92.9Very high70 Ų7057.5 Ų57.546%0.45532%0.318SS..Hα-helixtrans-62.6-33.6178.6-23.535000113K480P476-K480 WeakPolarHBondContact O-CB 3.29Å; P476-K480 PolarHBondContact O-N 3.31Å
477I94.8Very high91.8Very high26 Ų2656.6 Ų56.613%0.13331%0.31CS..Hα-helixtrans-73.2-42177.8-61174.9000110.2D426 I429 L430 L433 G474 L475 F481D426-I477 HydrophobicContact CB-CD1 3.43Å; D426-I477 VanDerWaalsContact CB-CD1 3.43Å; D426-I477 VanDerWaalsContact CG-CD1 3.42Å; D426-I477 VanDerWaalsContact OD1-CD1 3.27Å; D426-I477 WeakPolarHBondContact OD1-CD1 3.43Å; I429-I477 HydrophobicContact CB-CG2 4.41Å; I429-I477 HydrophobicContact CG2-CB 4.08Å; I429-I477 HydrophobicContact CG2-CG2 3.72Å; L430-I477 HydrophobicContact CD2-CG2 3.57Å; L430-I477 HydrophobicContact CG-CG2 3.7Å; L433-I477 HydrophobicContact CD1-CG2 4.48Å; G474-I477 WeakPolarHBondContact O-CB 3.39Å; G474-I477 PolarHBondContact O-N 2.83Å; G474-I477 VanDerWaalsContact O-N 3.15Å; L475-I477 VanDerWaalsContact C-N 3.26Å; L475-I477 PolarHBondContact O-N 3.25Å; I477-F481 VanDerWaalsContact O-CB 3.26Å; I477-F481 WeakPolarHBondContact O-CB 3.48Å; I477-F481 PolarHBondContact O-N 3.03Å
478F95.1Very high90Very high25 Ų2558.1 Ų58.111%0.1132%0.317CS..Hα-helixtrans-60.3-48.1173.8177.9-101.7000111.7L433 A445 E446 L449 W471 G474 L475 F481 C482L433-F478 HydrophobicContact CD1-CD2 4.36Å; L433-F478 HydrophobicContact CD2-CD2 3.96Å; L433-F478 HydrophobicContact CD2-CE2 4.32Å; A445-F478 HydrophobicContact CB-CE2 3.89Å; A445-F478 HydrophobicContact CB-CZ 4.45Å; E446-F478 HydrophobicContact CB-CE1 4.32Å; E446-F478 HydrophobicContact CB-CE2 4.17Å; E446-F478 HydrophobicContact CB-CZ 3.65Å; E446-F478 HydrophobicContact CG-CE1 4.26Å; E446-F478 HydrophobicContact CG-CZ 4.07Å; L449-F478 HydrophobicContact CD2-CB 4.22Å; L449-F478 HydrophobicContact CD2-CD2 3.93Å; L449-F478 HydrophobicContact CD2-CG 4.41Å; W471-F478 HydrophobicContact CH2-CB 4.48Å; W471-F478 AromaticContact CH2-CD1 3.71Å; W471-F478 HydrophobicContact CH2-CD1 3.71Å; W471-F478 HydrophobicContact CH2-CD2 4.36Å; W471-F478 AromaticContact CH2-CE1 4Å; W471-F478 HydrophobicContact CH2-CE1 4Å; W471-F478 AromaticContact CH2-CG 3.9Å; W471-F478 HydrophobicContact CH2-CG 3.9Å; W471-F478 HydrophobicContact CH2-CZ 4.45Å; W471-F478 HydrophobicContact CZ2-CD1 4.24Å; W471-F478 HydrophobicContact CZ3-CG 4.5Å; G474-F478 PolarHBondContact O-N 3.04Å; L475-F478 HydrophobicContact CD1-CD1 4.38Å; L475-F478 WeakPolarHBondContact O-CB 3.48Å; L475-F478 PolarHBondContact O-N 3.17Å; F478-F481 PolarHBondContact O-N 3.03Å; F478-C482 WeakPolarHBondContact O-CB 3.43Å; F478-C482 PolarHBondContact O-N 2.81Å
479Q94.4Very high87.8Confident107 Ų10761 Ų6150%0.533%0.326SS..Hα-helixtrans-59.3-51.2176.4-74.5171.1-39.400111.5L475 F481 C482 S483L475-Q479 HydrophobicContact CD1-CG 4.02Å; L475-Q479 HydrophobicContact CG-CG 4.29Å; L475-Q479 WeakPolarHBondContact O-CB 3.41Å; L475-Q479 WeakPolarHBondContact O-CG 3.49Å; L475-Q479 PolarHBondContact O-N 3.18Å; Q479-F481 PolarHBondContact O-N 3.45Å; Q479-C482 PolarHBondContact O-N 3.29Å; Q479-S483 PolarHBondContact O-N 3.25Å; Q479-S483 PolarHBondContact O-OG 2.75Å
480K93.4Very high84.9Confident136 Ų13667.1 Ų67.159%0.59135%0.354SS*.Hα-helixtrans-56.3-49.1176177.7174177.2177.70111.6P476 C482 S483 D484P476-K480 WeakPolarHBondContact O-CB 3.29Å; P476-K480 PolarHBondContact O-N 3.31Å; K480-C482 VanDerWaalsContact C-N 3.31Å; K480-C482 PolarHBondContact O-N 3.42Å; K480-S483 PolarHBondContact O-N 3.08Å; K480-D484 WeakPolarHBondContact CE-OD2 3.45Å; K480-D484 WeakPolarHBondContact CG-OD2 3.48Å; K480-D484 WeakPolarHBondContact O-CB 3.4Å; K480-D484 VanDerWaalsContact O-CG 3.25Å; K480-D484 PolarHBondContact O-N 3.04Å
481F92.9Very high82Confident16 Ų1672.9 Ų72.97%0.0739%0.39CS..Hα-helixtrans-61.8-37.6179.3-175.4-85.6000112.2L433 K437 I477 F478 Q479 N485 L487L433-F481 HydrophobicContact CB-CD1 3.81Å; L433-F481 HydrophobicContact CB-CD2 3.72Å; L433-F481 HydrophobicContact CB-CE1 3.82Å; L433-F481 HydrophobicContact CB-CE2 3.73Å; L433-F481 HydrophobicContact CB-CG 3.76Å; L433-F481 HydrophobicContact CB-CZ 3.79Å; L433-F481 HydrophobicContact CD1-CB 3.87Å; L433-F481 HydrophobicContact CD1-CD1 4.27Å; L433-F481 HydrophobicContact CD1-CD2 4.48Å; L433-F481 HydrophobicContact CD1-CG 3.96Å; L433-F481 HydrophobicContact CD2-CD1 4.24Å; L433-F481 HydrophobicContact CG-CD1 4.33Å; L433-F481 HydrophobicContact CG-CG 4.35Å; L433-F481 WeakPolarHBondContact O-CZ 3.37Å; K437-F481 HydrophobicContact CB-CZ 4.31Å; I477-F481 VanDerWaalsContact O-CB 3.26Å; I477-F481 WeakPolarHBondContact O-CB 3.48Å; I477-F481 PolarHBondContact O-N 3.03Å; F478-F481 PolarHBondContact O-N 3.03Å; Q479-F481 PolarHBondContact O-N 3.45Å; F481-N485 WeakPolarHBondContact CD2-ND2 3.25Å; F481-N485 HydrophobicContact CE1-CB 4.46Å; F481-N485 WeakPolarHBondContact CE2-ND2 3.42Å; F481-N485 VanDerWaalsContact O-CB 3.32Å; F481-N485 WeakPolarHBondContact O-CB 3.26Å; F481-N485 PolarHBondContact O-N 3.48Å; F481-N485 PolarHBondContact O-ND2 3.04Å; F481-L487 HydrophobicContact CD1-CD1 4.31Å; F481-L487 HydrophobicContact CE1-CD1 3.85Å
482C90.6Very high79Confident15 Ų1576.2 Ų76.210%0.10142%0.42CS..Hα-helixtrans-64.4-41.3174.8-84.80000112.3F478 Q479 K480 G486 L487F478-C482 WeakPolarHBondContact O-CB 3.43Å; F478-C482 PolarHBondContact O-N 2.81Å; Q479-C482 PolarHBondContact O-N 3.29Å; K480-C482 VanDerWaalsContact C-N 3.31Å; K480-C482 PolarHBondContact O-N 3.42Å; C482-G486 PolarHBondContact O-N 3.48Å; C482-L487 HydrophobicContact CB-CB 4.43Å; C482-L487 PolarHBondContact O-N 3.34Å
483S90.3Very high75.9Confident76 Ų7672.4 Ų72.453%0.53143%0.427SS..Hα-helixtrans-64.7-52.7173.8-60.50000112.2Q479 K480 N485 G486Q479-S483 PolarHBondContact O-N 3.25Å; Q479-S483 PolarHBondContact O-OG 2.75Å; K480-S483 PolarHBondContact O-N 3.08Å; S483-N485 PolarHBondContact O-N 3.18Å; S483-G486 PolarHBondContact O-N 3.38Å
484D89.8Confident72.9Confident108 Ų10876.1 Ų76.158%0.57845%0.454SS*.Hα-helixtrans-59.8-17.9-179-68.9-9.5000113.2K480K480-D484 WeakPolarHBondContact CE-OD2 3.45Å; K480-D484 WeakPolarHBondContact CG-OD2 3.48Å; K480-D484 WeakPolarHBondContact O-CB 3.4Å; K480-D484 VanDerWaalsContact O-CG 3.25Å; K480-D484 PolarHBondContact O-N 3.04Å
485N85.6Confident70.2Confident43 Ų4384.8 Ų84.823%0.2349%0.494CS..THydrogen-bonded Turntrans-121.65.2-177-64.3-82.8000114.6K437 F481 S483 L487K437-N485 VanDerWaalsContact CD-OD1 3.26Å; K437-N485 WeakPolarHBondContact CD-OD1 3.23Å; K437-N485 WeakPolarHBondContact CE-OD1 3.31Å; K437-N485 PolarHBondContact NZ-OD1 2.75Å; F481-N485 WeakPolarHBondContact CD2-ND2 3.25Å; F481-N485 HydrophobicContact CE1-CB 4.46Å; F481-N485 WeakPolarHBondContact CE2-ND2 3.42Å; F481-N485 VanDerWaalsContact O-CB 3.32Å; F481-N485 WeakPolarHBondContact O-CB 3.26Å; F481-N485 PolarHBondContact O-N 3.48Å; F481-N485 PolarHBondContact O-ND2 3.04Å; S483-N485 PolarHBondContact O-N 3.18Å; N485-L487 HydrophobicContact CB-CD1 4.13Å; N485-L487 HydrophobicContact CB-CG 4.11Å; N485-L487 PolarHBondContact O-N 2.84Å
486G79.1Confident67.1Low63 Ų6386.6 Ų86.665%0.64951%0.511SS*.THydrogen-bonded Turntrans63.822.8-179.900000114.9C482 S483 I488C482-G486 PolarHBondContact O-N 3.48Å; S483-G486 PolarHBondContact O-N 3.38Å; G486-I488 PolarHBondContact O-N 3.14Å
487L71.5Confident64.3Low56 Ų5691.3 Ų91.329%0.29353%0.532SS..  trans-85.227.8-178.8-64.2173.1000112.6Y436 F481 C482 N485 N489Y436-L487 HydrophobicContact CD1-CD1 4.17Å; Y436-L487 HydrophobicContact CE1-CD1 3.98Å; Y436-L487 HydrophobicContact CE1-CD2 4.38Å; F481-L487 HydrophobicContact CD1-CD1 4.31Å; F481-L487 HydrophobicContact CE1-CD1 3.85Å; C482-L487 HydrophobicContact CB-CB 4.43Å; C482-L487 PolarHBondContact O-N 3.34Å; N485-L487 HydrophobicContact CB-CD1 4.13Å; N485-L487 HydrophobicContact CB-CG 4.11Å; N485-L487 PolarHBondContact O-N 2.84Å; L487-N489 PolarHBondContact O-N 2.95Å; L487-N489 VanDerWaalsContact O-N 3.1Å
488I56.4Low61.3Low110 Ų11096.6 Ų96.656%0.56457%0.565SS**  trans-82.986.7-178-45177.2000108.4G486 N490G486-I488 PolarHBondContact O-N 3.14Å; I488-N490 PolarHBondContact O-N 3.18Å
489N47.7Very low58.5Low108 Ų108106.5 Ų106.558%0.57860%0.602SS**  trans-66.3125.9170.4-72.3-17.7000109.3L487 T491L487-N489 PolarHBondContact O-N 2.95Å; L487-N489 VanDerWaalsContact O-N 3.1Å; N489-T491 PolarHBondContact O-N 3.29Å
490N34.2Very low55.5Low157 Ų157107.2 Ų107.284%0.8462%0.616SS**SBendtrans-73.960.2173.6-70.9-17.3000111.4I488I488-N490 PolarHBondContact O-N 3.18Å
491T35.3Very low52.6Low121 Ų121106.9 Ų106.974%0.74263%0.625SS**  trans-13027.4177.356.80000112.2N489N489-T491 PolarHBondContact O-N 3.29Å
492S33.9Very low49.9Very low114 Ų114113.6 Ų113.680%0.79766%0.662SS**SBendtrans-128.3114.5156.9-66.70000106.7S494S492-S494 PolarHBondContact O-N 3.49Å
493A30.3Very low47.3Very low101 Ų101118.5 Ų118.584%0.83569%0.687SS**  trans-76.9106.1-176.900000110.7Q495A493-Q495 PolarHBondContact O-N 3.29Å
494S30.5Very low45Very low93 Ų93122.6 Ų122.665%0.6570%0.704SS**  trans27.483.1153.3-53.50000118.5S492S492-S494 PolarHBondContact O-N 3.49Å
495Q39.1Very low42.4Very low181 Ų181123.7 Ų123.785%0.84671%0.709SS**  trans-102.265.4148-78.1-170.7-11.800109.7A493A493-Q495 PolarHBondContact O-N 3.29Å
496S30Very low40.2Very low92 Ų92129.5 Ų129.564%0.64374%0.74SS**  trans-153.467.8169.6660000109.1T498S496-T498 VanDerWaalsContact C-N 3.27Å; S496-T498 PolarHBondContact O-N 3.12Å
497L35.6Very low38.2Very low170 Ų170135 Ų13589%0.8975%0.749SS**  trans-79.969.4-175-90.5156000112
498T31.9Very low36.6Very low136 Ų136139.9 Ų139.983%0.83478%0.775SS**  trans-125.969.3170.345.80000110.9S496S496-T498 VanDerWaalsContact C-N 3.27Å; S496-T498 PolarHBondContact O-N 3.12Å
499R36.1Very low35.7Very low233 Ų233138.5 Ų138.588%0.87978%0.775SS**  trans-140127.5166.7-172.9174.5173.1-179.3-4.2109.2
500P31.1Very low35.3Very low122 Ų122141.2 Ų141.279%0.79279%0.79SS**  trans-67.3145.8-173.727.2-35.2000111.8
501T32.2Very low35.4Very low129 Ų129137.6 Ų137.679%0.79179%0.79SS**  trans-66.8143.7165.745.90000109.8
502N36.9Very low35.5Very low157 Ų157136.6 Ų136.684%0.8479%0.788SS**  trans-128.5121.2151.2-17014.9000107.2
503N35.6Very low35.8Very low118 Ų118139 Ų13963%0.63179%0.792SS**  trans-76.2143.5178.6-69.8-20.1000109.2
504N41.3Very low36.1Very low163 Ų163137.6 Ų137.687%0.87279%0.787SS**  trans-147.8118.3132.8-109.7-26.1000109.1
505N36.7Very low36.4Very low131 Ų131144.1 Ų144.170%0.70180%0.798SS**  trans-70.5143.3174.5-66.4-26000109
506N37.7Very low36.5Very low164 Ų164141 Ų14188%0.87779%0.787SS**  -154.3122.9125.6-104.2-27.3000110
507H38.4Very low37.1Very low178 Ų178144.1 Ų144.182%0.82479%0.791SS**  trans-68.7140.2163.6-67.6-80.3000108.8
508N38.4Very low37.4Very low160 Ų160142.9 Ų142.986%0.85679%0.785SS**  -145.9167121.7-138.7-22.8000111
509S37.5Very low37.7Very low81 Ų81141.6 Ų141.657%0.56678%0.782SS**  trans-120.4168.2-159.159.90000113.7
510N38Very low38.1Very low164 Ų164136.3 Ų136.388%0.87778%0.777SS**  trans70.3158.2165-54.5-28.7000117.2
511G36.6Very low38.6Very low82 Ų82135.3 Ų135.385%0.84577%0.774SS**  trans126.978.7176.600000113.4
512S38.1Very low38.9Very low100 Ų100134.6 Ų134.670%0.69977%0.774SS**  trans-86.716417353.70000112.5
513N39.2Very low39.1Very low164 Ų164130.6 Ų130.688%0.87776%0.762SS**  trans77.3146.7169-51.5-41.4000118
514G36.2Very low39.2Very low72 Ų72131.7 Ų131.774%0.74277%0.768SS**  trans129.742.6137.800000120.8
515R38.4Very low39Very low230 Ų230129.8 Ų129.887%0.86876%0.762SS**  trans37.7135.3146.1-92.1-175.8170.9150-2.5121.2
516N39.8Very low39.1Very low115 Ų115129.6 Ų129.662%0.61577%0.767SS**  trans92110.9134.5-719.3000122
517H43.7Very low39.1Very low158 Ų158127.4 Ų127.473%0.73176%0.761SS**  trans85.9135.9130.5-66.5-50.6000122.7
518N41.1Very low39Very low143 Ų143127.5 Ų127.577%0.76577%0.767SS**  trans79.486.9151.6-58.4-8.7000120.5
519S38.9Very low38.7Very low110 Ų110130.4 Ų130.477%0.76977%0.766SS**  6160.6115.3-41.20000120.1
520P45.1Very low38.7Very low121 Ų121133.9 Ų133.979%0.78678%0.778SS**  cis-141.5-170.3-4441.2-24.2000112.7
521S41Very low38.5Very low102 Ų102130.2 Ų130.271%0.71377%0.765SS**  trans131.7140.7133.3-158.30000116.7
522S39.3Very low38.4Very low114 Ų114133.9 Ų133.980%0.79777%0.765SS**  trans67.8151.3154.6-58.10000119.6
523A40.5Very low38.1Very low72 Ų72133.4 Ų133.460%0.59577%0.768SS**  cis-168.9165.8-25.500000109.9
524N37.1Very low37.8Very low142 Ų142134.6 Ų134.676%0.75977%0.773SS**  trans70.8115.9151.9-62-11.5000119.2
525T38.3Very low37.7Very low122 Ų122136 Ų13675%0.74877%0.772SS**  75.9140.1104.564.90000115.9
526T38.9Very low37.8Very low128 Ų128132.9 Ų132.979%0.78577%0.767SS**  cis-160.4166-4.611.90000108.6
527P37Very low37.8Very low117 Ų117135.6 Ų135.676%0.7678%0.775SS**  trans-90.8159.6-168.936.6-36.4000115.1
528L35.8Very low37.3Very low181 Ų181135.5 Ų135.595%0.94878%0.78SS**  trans-137.4159.9161.3-96171.5000111.2
529R32.7Very low37Very low221 Ų221134.2 Ų134.283%0.83478%0.783SS**  trans-85.3159.8175.4-64.7173.6163.8171.1-6.9110.5
530D36.5Very low36.9Very low154 Ų154135.1 Ų135.182%0.82479%0.786SS**  -166.4-174.1102.1-98.9-26.5000113.2
531S34.4Very low36.4Very low86 Ų86136.4 Ų136.460%0.60179%0.785SS**  trans-128.1173.8-144.3-51.60000114.6
532N34Very low36Very low160 Ų160138.2 Ų138.286%0.85679%0.791SS**  trans77.2128.9173.5-50.6-24.2000114.7
533A31.5Very low35.9Very low90 Ų90139.6 Ų139.674%0.74479%0.788SS**  cis107.511118.700000113.7
534L34Very low35.8Very low188 Ų188143.2 Ų143.298%0.98480%0.796SS**  trans-149.4177.3154.3-141.867.7000109.4
535S34.7Very low35.8Very low103 Ų103141.6 Ų141.672%0.7279%0.793SS**  trans-136.2174.5-147.6-169.80000115
536Q39.5Very low35.7Very low163 Ų163144.4 Ų144.476%0.76280%0.797SS**  trans81.7148.9173.6-52.5-1798200115.2
537Q39.5Very low35.5Very low172 Ų172146.5 Ų146.580%0.80480%0.802SS**  cis-146.2175.25.9-140.1170.143.500112.4
538N33Very low35.5Very low156 Ų156145.5 Ų145.583%0.83480%0.798SS**  trans-93.7153.6-166.2-67.6-26.2000116.1
539S35Very low35.7Very low117 Ų117142.2 Ų142.282%0.81879%0.79SS**  trans-158.2153.5141.8-82.80000110.9
540P38.1Very low35.8Very low128 Ų128138.9 Ų138.983%0.83179%0.789SS**  trans-94.8159.7-15636-36.9000116.3
541I33Very low36Very low149 Ų149138.6 Ų138.676%0.76479%0.786SS**  trans-109.5139.4173.3-65.7172.6000109.4I543I541-I543 HydrophobicContact CG2-CG1 4.03Å
542V34.2Very low35.8Very low139 Ų139140.1 Ų140.184%0.84280%0.796SS**  trans-82.1129168.6178.70000109.3
543I36.9Very low35.9Very low144 Ų144138.6 Ų138.674%0.73879%0.792SS**  trans-124.9124.2179.2-58.3-179.2000109.4I541I541-I543 HydrophobicContact CG2-CG1 4.03Å
544I38.2Very low36.1Very low147 Ų147139.6 Ų139.675%0.75479%0.794SS**  trans-89128.5171.6-57.8175.8000108.4
545P36.7Very low36.1Very low109 Ų109137 Ų13771%0.70879%0.786SS**  trans-88.3114.9-172.932.5-33.5000113.1I547P545-I547 PolarHBondContact O-N 3.29Å
546H37.3Very low36.1Very low180 Ų180137.7 Ų137.783%0.83379%0.786SS**  trans-73125.1165-76.8-83.1000111.1S548H546-S548 PolarHBondContact O-N 3.34Å
547I34.6Very low35.8Very low172 Ų172135 Ų13588%0.88279%0.785SS**  trans-74.5116.7179.6-54.6170.1000109.3P545P545-I547 PolarHBondContact O-N 3.29Å
548S35.9Very low35.8Very low97 Ų97135.9 Ų135.968%0.67879%0.786SS**  trans-126.1124.1170-76.90000110.4H546 N550H546-S548 PolarHBondContact O-N 3.34Å; S548-N550 PolarHBondContact O-N 3.34Å
549S39.5Very low36Very low111 Ų111134.8 Ų134.878%0.77679%0.786SS**  trans-77.8105.1-176.355.10000111.6I551S549-I551 PolarHBondContact O-N 3.09Å
550N35Very low36Very low151 Ų151139 Ų13981%0.80779%0.789SS**  trans-68.4118.5174.3-73.3-38000111.4S548S548-N550 PolarHBondContact O-N 3.34Å
551I41.6Very low36Very low149 Ų149138.9 Ų138.976%0.76479%0.789SS**  trans-109.197.7161.4-62.7179.5000107.5S549 V553S549-I551 PolarHBondContact O-N 3.09Å; I551-V553 HydrophobicContact CG2-CG2 4.31Å
552S30Very low36.3Very low118 Ų118141.5 Ų141.583%0.82579%0.794SS**  trans-71128.2174.1-58.70000110.4
553V36.2Very low36.4Very low127 Ų127140.7 Ų140.777%0.7779%0.79SS**  trans-127.6123.7168.6-149.60000108I551 T555I551-V553 HydrophobicContact CG2-CG2 4.31Å; V553-T555 PolarHBondContact O-N 3.1Å
554S34.8Very low36.5Very low111 Ų111139.3 Ų139.378%0.77679%0.79SS**  trans-77.9120-17032.10000112.7V556S554-V556 PolarHBondContact O-N 3.44Å
555T34Very low36.3Very low133 Ų133139 Ų13982%0.81679%0.79SS**  trans-71.9112.1175.8-52.10000111V553V553-T555 PolarHBondContact O-N 3.1Å
556V36.3Very low36.4Very low119 Ų119142 Ų14272%0.72180%0.799SS**  trans-98.1101.4170.5-178.60000109.6S554 K558S554-V556 PolarHBondContact O-N 3.44Å; V556-K558 PolarHBondContact O-N 3.2Å
557S33.2Very low36.3Very low107 Ų107138.8 Ų138.875%0.74879%0.792SS**  trans-63.8125.1173.3-59.20000111
558K37.9Very low36.2Very low190 Ų190136.8 Ų136.883%0.82679%0.788SS**  trans-107.4108.3171.2-74.5-171.4175.3-176.30110.9V556V556-K558 PolarHBondContact O-N 3.2Å
559T38.8Very low36.1Very low133 Ų133137.4 Ų137.482%0.81679%0.792SS**  trans-84.3146.8163.942.20000110.1
560F34.4Very low35.6Very low205 Ų205140.3 Ų140.390%0.89980%0.799SS**  trans-93.2134.5176.2-78.9-97.9000111.3
561P38.4Very low35.7Very low126 Ų126138.2 Ų138.282%0.81880%0.796SS**  trans-103.2177.8146.133.8-26.1000111.4
562K37.5Very low35.3Very low203 Ų203136.9 Ų136.988%0.88380%0.8SS**  trans-110.2147.8-158.3-167.9176.6178.7-177.10112.7
563V38.3Very low35.8Very low123 Ų123136.9 Ų136.975%0.74580%0.797SS**  trans-73.9162.6177.9-137.50000112
564P38.7Very low35.5Very low115 Ų115142.7 Ų142.775%0.74781%0.805SS**  -136.2171.9106.339.5-29.7000115.4
565D33.5Very low35.6Very low141 Ų141143 Ų14375%0.75480%0.802SS**  trans-71.4154.8-159.9-50.6-86.4000118
566L37.7Very low35.5Very low170 Ų170141.5 Ų141.589%0.8980%0.797SS**  trans-153.689.7137.7-142.673.9000114.5
567V35.4Very low35.3Very low114 Ų114143.5 Ų143.569%0.69180%0.803SS**  38.6117.6126.4-175.40000120.1
568V33.1Very low35.6Very low130 Ų130144.2 Ų144.279%0.78881%0.805SS**  trans67.8122.3151171.30000116.8
569S33.1Very low35.2Very low110 Ų110140.7 Ų140.777%0.76980%0.799SS**  -172.3156.960.3-149.80000112
570N28.8Very low35Very low172 Ų172141.1 Ų141.192%0.9280%0.801SS**  trans-110.5112.4178.7-131.95.9000110.5
571S37.8Very low35Very low106 Ų106136.1 Ų136.174%0.74179%0.792SS**  trans-147.9132.5168.358.60000111.5
572S32.5Very low34.7Very low122 Ų122135.3 Ų135.385%0.85379%0.789SS**  trans-91.8135-179.8-500000111.6
573P41Very low34.9Very low117 Ų117131.8 Ų131.876%0.7679%0.787SS**  trans-94144.8155.533-28.8000111.3
574R30.7Very low34.5Very low250 Ų250135.6 Ų135.694%0.94379%0.794SS**  trans-12194.8-176.6173.5-171.2173.3-127.95.3108.8
575T35.9Very low34.5Very low117 Ų117135.9 Ų135.972%0.71880%0.798SS**  trans-138.183.2-169.4-44.60000108.5
576S33.5Very low34.5Very low102 Ų102134.6 Ų134.671%0.71380%0.8SS**  71.811491.171.20000114
577L31Very low34.6Very low161 Ų161131.8 Ų131.884%0.84379%0.792SS**PPolyproline II helixtrans-71.2145.2178.7-58.5166.9000112.3
578P39.4Very low34.5Very low122 Ų122134.3 Ų134.379%0.79280%0.796SS**PPolyproline II helixtrans-83.2121.4146.932.2-27.2000109.6
579V29.8Very low34.3Very low116 Ų116134.5 Ų134.570%0.70379%0.792SS**PPolyproline II helixtrans-82.7133.5167.1170.70000108.7
580V35Very low34.6Very low142 Ų142134.8 Ų134.886%0.86179%0.789SS**  trans-125.2126.8158.3177.90000108.1
581S34.4Very low34.9Very low100 Ų100132.5 Ų132.570%0.69978%0.784SS**PPolyproline II helixtrans-83.5146.7-167.5-54.90000113
582S31.4Very low34.7Very low109 Ų109134.3 Ų134.376%0.76278%0.784SS**PPolyproline II helixtrans-81.4141.7163.534.90000111.6
583P42Very low34.6Very low129 Ų129134.1 Ų134.184%0.83878%0.777SS**PPolyproline II helixtrans-86.9141.2154.432.7-29.2000110.3
584K30.8Very low34.2Very low203 Ų203139.8 Ų139.888%0.88378%0.783SS**PPolyproline II helixtrans-97.4136.7172.5-62.8169.3178.7171.80110
585S37.8Very low34.2Very low120 Ų120134.5 Ų134.584%0.83977%0.769SS**  trans-167.4142.8138.746.10000112.3
586S32.3Very low33.9Very low115 Ų115134.2 Ų134.280%0.80477%0.771SS**  trans-123.6-168166.7-33.90000106.4
587P41.5Very low33.8Very low111 Ų111137.1 Ų137.172%0.72177%0.773SS**  cis-128.3173.7-32.736.4-21.1000112.5
588H32.3Very low34.1Very low166 Ų166134.9 Ų134.977%0.76977%0.771SS**  trans168.4129143.6-104.9-118.1000108
589L29.8Very low33.6Very low134 Ų134136 Ų13670%0.70277%0.77SS**  74.993.364.2-76.2168.2000115.5
590V38.7Very low34.1Very low116 Ų116136.7 Ų136.770%0.70378%0.776SS**  trans36.8143138.6-108.30000121.4
591P35.1Very low34.2Very low125 Ų125135.1 Ų135.181%0.81277%0.767SS**  -149.9140.680.238.5-19.5000120
592I33.3Very low34.3Very low144 Ų144133.6 Ų133.674%0.73876%0.761SS**  trans8.4112.1135-72.4172.2000120
593T31.5Very low34.7Very low118 Ų118137.2 Ų137.272%0.72477%0.766SS**  74.8154.6125.4-50.30000122.2
594R32.5Very low34.5Very low235 Ų235136.6 Ų136.689%0.88776%0.764SS**  trans96.4141170.8-60-172.4-169.3-156.12.3114.5
595H29.7Very low35.1Very low139 Ų139132.5 Ų132.564%0.64476%0.758SS**  cis-160.1-162.2-9.8-172.1-106.5000109.1Q597H595-Q597 PolarHBondContact CE1-OE1 2.95Å; H595-Q597 VanDerWaalsContact CE1-OE1 3.29Å
596C31.1Very low35.2Very low112 Ų112132.6 Ų132.676%0.75775%0.754SS**  trans85.1115.1173.4-53.90000113.3
597Q30.9Very low35.7Very low162 Ų162135.7 Ų135.776%0.75776%0.756SS**  cis55.297.419.6-68.1-169.4-0.800113.9H595H595-Q597 PolarHBondContact CE1-OE1 2.95Å; H595-Q597 VanDerWaalsContact CE1-OE1 3.29Å
598S36.5Very low35.8Very low115 Ų115135.4 Ų135.480%0.80475%0.754SS**  trans-112.5130.1172.754.10000110.8
599L29.7Very low36.2Very low146 Ų146134.9 Ų134.976%0.76476%0.755SS**  trans-57.2156.5173.6-83.537.5000112.9T601L599-T601 WeakPolarHBondContact CD2-OG1 3.48Å
600P39Very low36.6Very low129 Ų129135 Ų13584%0.83876%0.757SS**  -100.4155.8121.932.5-33.1000110.2
601T37.2Very low36.7Very low109 Ų109139.9 Ų139.967%0.66976%0.762SS**  trans-148.2135.9-172.5-74.20000113.9L599L599-T601 WeakPolarHBondContact CD2-OG1 3.48Å
602A36.5Very low37Very low69 Ų69138.9 Ų138.957%0.5776%0.756SS**  trans79150.8159.100000120.9
603H40.3Very low37.1Very low185 Ų185139.4 Ų139.486%0.85676%0.76SS**  trans71.9128.9171.4-41.3-69.1000115.8
604S38.9Very low37.5Very low116 Ų116143.9 Ų143.981%0.81177%0.77SS**  cis-152.2173.1-3.355.80000110.6
605P42.6Very low37.4Very low117 Ų117143.5 Ų143.576%0.7677%0.768SS**  trans-109.3-173.8-151.742.4-38.5000117.4
606T39.4Very low38Very low122 Ų122144 Ų14475%0.74877%0.774SS**  trans107.7129.5164.1-50.10000114.5
607Q42.2Very low38.4Very low179 Ų179144 Ų14484%0.83677%0.771SS**  cis-153.9172.6-17-114.1-163.967.200110.1
608P44.6Very low38.7Very low105 Ų105142.6 Ų142.668%0.68278%0.776SS**  trans-111.4179-164.742.9-37.7000116.3
609I40.4Very low38.9Very low156 Ų156142.9 Ų142.980%0.878%0.778SS**  trans-156.2130.4153.9-110155.8000112.9
610N38.2Very low39.2Very low136 Ų136141.4 Ų141.473%0.72778%0.78SS**  trans26.4154151.7-67.3-41.8000124.3
611R40.4Very low39.2Very low219 Ų219139.8 Ų139.883%0.82678%0.777SS**  cis179.9-163.4-23.3-142.4-179.5-175.2-165.32.2108.5
612P41.8Very low39.3Very low103 Ų103139.7 Ų139.767%0.66979%0.788SS**  -85.3148.6-89.529.2-10.6000114.9
613N35.6Very low39.3Very low155 Ų155145.7 Ų145.783%0.82980%0.804SS**  71.5118.963.5-85.4-15.9000117.7
614F40Very low39.3Very low212 Ų212142.8 Ų142.893%0.9380%0.804SS**  trans-143.7133.4151.9-108.8-81.6000109.8
615R31Very low39.1Very low228 Ų228142.4 Ų142.486%0.8680%0.802SS**  trans-164.7115.3179.5-172.6-170.6-160.7-166.67.7113.3
616I41Very low39.1Very low149 Ų149144 Ų14476%0.76480%0.803SS**  trans-147.594.8167.9-59-176.7000106.5
617T39.8Very low39Very low111 Ų111145.1 Ų145.168%0.68180%0.804SS**  49.2113.297.460.70000116.1
618P38Very low38.7Very low134 Ų134141.6 Ų141.687%0.8780%0.799SS**  trans-91.7146174.635.6-33000113.1
619S39.4Very low38.4Very low121 Ų121145.7 Ų145.785%0.84681%0.806SS**  trans-156.3124.6162.2-166.80000113.5
620S36.6Very low38.1Very low115 Ų115144.4 Ų144.480%0.80481%0.806SS**  trans25.2144.4151.3-136.40000124.9
621A39Very low38.1Very low95 Ų95143.9 Ų143.979%0.78581%0.807SS**  trans76.1104.9142.600000121.7
622A39.4Very low37.6Very low107 Ų107140.7 Ų140.788%0.88481%0.807SS**  -157.8167.2128.100000109.8
623Q37.5Very low37.4Very low194 Ų194141.5 Ų141.591%0.90781%0.809SS**  trans-114.5143.9-173.8-63169.6-8.900112.4
624S39.3Very low37.6Very low124 Ų124143.9 Ų143.987%0.86781%0.813SS**  trans-162.6144.4143.229.30000111.9
625S35.8Very low37.7Very low109 Ų109139.8 Ų139.876%0.76281%0.805SS**  trans-67.4168.6171.6-44.40000110.5
626I41.8Very low38.2Very low151 Ų151134.4 Ų134.477%0.77480%0.8SS**  -156.2152.952-15.5175.8000112.6
627N36.9Very low38Very low145 Ų145133.5 Ų133.578%0.77580%0.801SS**  trans11.4133.8159.2-58.1-17.4000119.5
628S36.5Very low37.7Very low105 Ų105133.8 Ų133.873%0.73480%0.802SS**  -166.4141.961.9-66.10000116.5
629K37.7Very low37.6Very low190 Ų190133.3 Ų133.383%0.82680%0.797SS**  trans48.6110.8139.6-68.7-179.4179.7175.40122.1
630T33.8Very low37.2Very low130 Ų130132.4 Ų132.480%0.79879%0.789SS**  56.6149.4128.65.80000119.8
631V37.8Very low37.2Very low125 Ų125133 Ų13376%0.75879%0.788SS**  cis-136.2152.614.1-177.70000110.1
632N30.6Very low36.9Very low152 Ų152135.3 Ų135.381%0.81379%0.787SS**  trans-130108.5176.9-175.317.5000112.4
633T38Very low36.7Very low119 Ų119136.5 Ų136.573%0.7378%0.783SS**  trans-145.2111.9170.651.90000111.6
634K39.5Very low36.7Very low206 Ų206133.8 Ų133.890%0.89678%0.78SS**  trans-128.296.7160.3-78.8-173.5177.1179.20109.2
635T41.6Very low36.5Very low125 Ų125134.6 Ų134.677%0.76778%0.78SS**  trans-85.2136.5169.340.40000110
636P41.3Very low36.6Very low116 Ų116134 Ų13475%0.75378%0.776SS**  trans-73.6135.8170.630.5-32.9000110T638P636-T638 PolarHBondContact O-N 3.04Å
637V37.5Very low36.5Very low130 Ų130137.9 Ų137.979%0.78878%0.78SS**  trans-84.9101.1173.6177.90000108.9V639V637-V639 PolarHBondContact O-N 2.57Å
638T33.9Very low36.3Very low116 Ų116139.4 Ų139.471%0.71278%0.781SS**  trans-67.4121.5168.7-58.90000109.7P636P636-T638 PolarHBondContact O-N 3.04Å
639V35.4Very low36.4Very low125 Ų125139.1 Ų139.176%0.75878%0.779SS**  trans-92.4107171.3-1500000108.4V637V637-V639 PolarHBondContact O-N 2.57Å
640C32.1Very low36.3Very low101 Ų101136.5 Ų136.568%0.68277%0.765SS**  trans-72.5135.4174.5-670000110.6
641V35.4Very low36.2Very low127 Ų127135.3 Ų135.377%0.7776%0.757SS**  trans-107.496.7172.6-80.30000109.7T643V641-T643 PolarHBondContact O-N 3.36Å
642D34Very low36.1Very low145 Ų145133 Ų13378%0.77574%0.743SS**  trans-73.2108.2179-75.8-36.6000111.4V644D642-V644 PolarHBondContact O-N 3.44Å
643T34.4Very low36.1Very low131 Ų131132 Ų13280%0.80473%0.733SS**  trans-84.190.6178.530.30000111.6V641V641-T643 PolarHBondContact O-N 3.36Å
644V37.2Very low35.7Very low137 Ų137131.5 Ų131.583%0.8374%0.735SS**  trans-99.580.3175.4-74.50000113.1D642 S646D642-V644 PolarHBondContact O-N 3.44Å; V644-S646 PolarHBondContact O-N 2.98Å; V644-S646 VanDerWaalsContact O-N 3.12Å
645T34.5Very low35.5Very low141 Ų141127.6 Ų127.687%0.86573%0.728SS**  trans-72.395.5173.3-55.50000112
646S38.9Very low34.9Very low98 Ų98128.6 Ų128.669%0.68574%0.735SS**  trans-162.8118155-1620000115.2V644V644-S646 PolarHBondContact O-N 2.98Å; V644-S646 VanDerWaalsContact O-N 3.12Å
647R38.8Very low34.6Very low231 Ų231127.6 Ų127.687%0.87274%0.736SS**  trans28.598.7146.7-55.9-177.1-174.4-159.10.2117.6S649R647-S649 PolarHBondContact O-N 2.99Å
648F34Very low34.3Very low177 Ų177127.1 Ų127.178%0.77674%0.739SS**  trans-61.6121157.9-89.4-91000110.6
649S37.9Very low34.6Very low100 Ų100129 Ų12970%0.69974%0.743SS**  trans-137.5121.2158.5560000108.3R647 V651R647-S649 PolarHBondContact O-N 2.99Å; S649-V651 PolarHBondContact O-N 3.42Å
650Y34.8Very low34.3Very low135 Ų135128 Ų12853%0.52974%0.741SS.*  trans-71.5102.9-168.7-91.3-95.9000112
651V33.2Very low34.9Very low104 Ų104128.7 Ų128.763%0.6374%0.744SS**  trans-13090.1159.9-173.60000109.3S649 Q653S649-V651 PolarHBondContact O-N 3.42Å; V651-Q653 PolarHBondContact O-N 2.99Å
652V35.4Very low34.9Very low78 Ų78130.3 Ų130.347%0.47375%0.749SS.*  trans-71.7118.3169.8179.40000108.9
653Q31Very low34.9Very low130 Ų130128.6 Ų128.661%0.60775%0.748SS**  trans-14975.1170.9-168.9153.5-23.400111V651 T655V651-Q653 PolarHBondContact O-N 2.99Å; Q653-T655 PolarHBondContact O-N 3.37Å
654S29.7Very low34.9Very low109 Ų109129.2 Ų129.276%0.76275%0.745SS**  trans-74.5110.3173.2-500000110.4
655T34.7Very low34.9Very low123 Ų123129.6 Ų129.676%0.75575%0.748SS**  trans-123.5130.6166.745.10000109.2Q653Q653-T655 PolarHBondContact O-N 3.37Å
656T29.4Very low34.8Very low147 Ų147128 Ų12890%0.90274%0.737SS**  trans-77.7132.9-172.5490000112.6
657A34.2Very low35.1Very low94 Ų94129.1 Ų129.178%0.77774%0.743SS**  trans-138.7128158.600000108.6
658S31.3Very low35.1Very low121 Ų121124.8 Ų124.885%0.84674%0.741SS**  trans-92.3125.5173.1-177.80000108.9
659I39.3Very low35Very low155 Ų155120.5 Ų120.580%0.79574%0.739SS**  trans-137.6124.9166.4-58.9-178.4000107.3
660S30.4Very low35.1Very low104 Ų104122.8 Ų122.873%0.72775%0.749SS**  trans-112.9130.5173.5-178.10000109.2
661P44.6Very low35Very low115 Ų115121.4 Ų121.475%0.74776%0.759SS**  trans-111.3110.1172.334.5-23.3000111.7
662N35.8Very low35.2Very low162 Ų162122 Ų12287%0.86676%0.763SS**  trans-148.2104.9165.6-105.4-9.3000108.7
663S34Very low35.2Very low108 Ų108126.2 Ų126.276%0.75578%0.775SS**  trans-171.8122.6152.6-164.30000112.6
664L34Very low35.5Very low144 Ų144127.6 Ų127.675%0.75478%0.782SS**  trans28.4124.9142.2-57.3170.5000121.1V666L664-V666 HydrophobicContact CD2-CG2 4.26Å
665V36.3Very low35.8Very low146 Ų146129 Ų12989%0.88578%0.78SS**  -132.2131.9126.9179.70000108.2
666V33.5Very low36Very low106 Ų106127.2 Ų127.264%0.64277%0.773SS**  trans-127.8129.7175.4174.80000108.7L664L664-V666 HydrophobicContact CD2-CG2 4.26Å
667P44Very low36.4Very low123 Ų123128 Ų12880%0.79977%0.767SS**PPolyproline II helixtrans-93.2132.2164.633.6-28.1000111
668V39.3Very low36.6Very low139 Ų139129.9 Ų129.984%0.84276%0.763SS**PPolyproline II helixtrans-89.5157.5176.5161.90000111.2
669A31.5Very low36.7Very low88 Ų88130.3 Ų130.373%0.72776%0.756SS**PPolyproline II helixtrans-66158-170.500000116.2
670T41Very low36.4Very low147 Ų147133.4 Ų133.490%0.90276%0.757SS**  trans-136.3146.2136.428.60000109.2
671S32.3Very low36.8Very low107 Ų107134.9 Ų134.975%0.74876%0.763SS**  trans-96.1172.2179.553.50000111.9
672T36.9Very low36.6Very low115 Ų115134.7 Ų134.771%0.70676%0.761SS**  trans141.9103.1137.5-63.60000113.2
673F36.6Very low36.3Very low167 Ų167133.3 Ų133.373%0.73276%0.758SS**  trans59.8125.9151-72.7-110.9000121.8
674Q37.3Very low36.4Very low160 Ų160135.7 Ų135.775%0.74876%0.762SS**  37.3138.8124.8-57177.2-6.100119.5
675N35.7Very low36.2Very low137 Ų137136.7 Ų136.773%0.73376%0.763SS**  cis-157.9158.125.2-149.2-3.2000114.8
676S38Very low36.1Very low87 Ų87137.8 Ų137.861%0.60876%0.763SS**  trans43.8112148.160.10000123.3
677Q38.4Very low36.1Very low164 Ų164141.5 Ų141.577%0.76677%0.774SS**  trans87.7120.7132.3-58.9-69.824.600123.9
678L37.5Very low35.6Very low133 Ų133139.7 Ų139.770%0.69677%0.769SS**  trans72.7104136.9-65.2166.1000123.4
679N33.4Very low35.5Very low130 Ų130140.2 Ų140.270%0.69577%0.765SS**  76.3101.6128.1-77.4-23.1000123.4
680R34.5Very low35.6Very low219 Ų219143.4 Ų143.483%0.82677%0.769SS**  82.2150.9127.3-68.9-173.1166.2-137.6-1.2121.3
681T38.6Very low35.4Very low136 Ų136140 Ų14083%0.83476%0.763SS**  trans82.6164.216684.10000114.4
682P39.7Very low35.4Very low110 Ų110146.3 Ų146.371%0.71477%0.77SS**  -138.3-175.8-105.633.9-9.6000115.9
683V30.8Very low35.6Very low133 Ų133148.1 Ų148.181%0.80678%0.781SS**  trans29117.7150.9177.20000118.5
684L34.6Very low35.5Very low158 Ų158144.5 Ų144.583%0.82778%0.782SS**  -158170.3129.3-112.9171.1000112.1
685Q31Very low35.6Very low166 Ų166144.1 Ų144.178%0.77679%0.785SS**  trans-87165.9-177.2-63.6153.5-103.300111.9
686N33.7Very low36.2Very low169 Ų169143.3 Ų143.390%0.90479%0.787SS**  trans-148.7139.5144.3-106.8-19.8000112.5
687E33.8Very low36.3Very low184 Ų184142.6 Ų142.686%0.8679%0.794SS**  trans-80.3167.4164.1-78.8-173.7123.600109.9
688A34Very low36.5Very low84 Ų84141.5 Ų141.569%0.69480%0.798SS**  cis-169.6-137.9-19.200000107.4
689I35.4Very low36.6Very low150 Ų150140.4 Ų140.477%0.76980%0.799SS**  trans89.491.6161-51.8-178.6000118.2
690I33.8Very low36.6Very low156 Ų156142.2 Ų142.280%0.881%0.808SS**  51.7119.4127.4-55.5167.9000120.1
691G37.9Very low36.5Very low75 Ų75143.3 Ų143.377%0.77381%0.812SS**  trans-149137.4149.200000110.6
692R31.7Very low36.3Very low239 Ų239144 Ų14490%0.90281%0.81SS**  trans-133.2130.7-179.2-76.3-177.4173.9179.8-1.3111.8
693T40.4Very low36.1Very low153 Ų153144.7 Ų144.794%0.93981%0.812SS**  trans-143.3164159.6520000109.4
694A36.4Very low36.1Very low91 Ų91143.5 Ų143.575%0.75281%0.809SS**  trans-154177.9-165.800000114.5
695N38Very low36Very low152 Ų152141.3 Ų141.381%0.81381%0.807SS**  trans78.5158.2167.6-71-17.6000118.6
696P48.4Very low36Very low120 Ų120139.4 Ų139.478%0.77981%0.812SS**  cis-145163.2-42.739.9-23.8000116.8
697G40.7Very low36.2Very low73 Ų73137.2 Ų137.275%0.75381%0.81SS**  trans84.2164.5155.900000118
698V42.1Very low36.6Very low140 Ų140133.1 Ų133.185%0.84880%0.802SS**  cis-159.3169.2-7.3-156.60000107.2
699P39.3Very low36.8Very low111 Ų111136.3 Ų136.372%0.72181%0.807SS**  -113.4159-68.338.8-25.2000116.5
700L33.3Very low37.2Very low167 Ų167135.6 Ų135.687%0.87481%0.812SS**  trans14.8127.7143.9-55.7174.7000122.1
701R32.6Very low37.3Very low243 Ų243132.5 Ų132.592%0.91781%0.81SS**  -153.1110.5113.6-162.3174.9-166.7163.45.6111.6
702L35Very low37.4Very low149 Ų149135.7 Ų135.778%0.7882%0.815SS**  trans-136.2126.6178.8-142.7164.9000108.3
703V34.9Very low37.7Very low125 Ų125129.4 Ų129.476%0.75880%0.803SS**  trans-100.5114.2179.1178.90000109
704S30.4Very low37.7Very low108 Ų108130.2 Ų130.276%0.75580%0.8SS**  trans-151.6125167.5-73.40000107.2
705S33.3Very low37.6Very low112 Ų112132.3 Ų132.378%0.78380%0.798SS**  trans-151.876.9-172.860.80000111.3
706S30.9Very low37.7Very low126 Ų126132 Ų13288%0.88180%0.801SS**  trans-77.5129.3151500000108.5
707S39Very low37.1Very low124 Ų124131 Ų13187%0.86780%0.797SS**  trans-145.5153.8170-168.40000109.8
708S41.5Very low37.1Very low97 Ų97138 Ų13868%0.67881%0.807SS**  trans-110.4152-165.155.10000113.8
709N37.2Very low36.9Very low151 Ų151135.6 Ų135.681%0.80780%0.802SS**  trans21.5138.3132.4-63.74.4000118.3
710P44.4Very low37Very low135 Ų135137.3 Ų137.388%0.87781%0.809SS**  -143.5179.570.939.1-21.1000117.8
711A37Very low37.2Very low91 Ų91137.2 Ų137.275%0.75281%0.805SS**  trans-73.5167.6-168.600000116.3
712T38.6Very low37.5Very low142 Ų142132.6 Ų132.687%0.87180%0.797SS**  -152.7141.8128.8-74.20000111.4
713T38.6Very low37.7Very low108 Ų108131.8 Ų131.866%0.66379%0.794SS**  trans-59.6150-178.4-53.60000116.2L715T713-L715 HydrophobicContact CG2-CD1 4.46Å
714I39.3Very low37.7Very low169 Ų169130.6 Ų130.687%0.86779%0.791SS**  -162.1146.4128.3-102.2158.4000110.6
715L35.9Very low38.3Very low135 Ų135134.6 Ų134.671%0.70780%0.798SS**  trans-94162.2-177.7-68.5110.5000112.7T713T713-L715 HydrophobicContact CG2-CD1 4.46Å
716V38.5Very low38.5Very low147 Ų147138.9 Ų138.989%0.89181%0.805SS**  -167144.5112.3142.30000110.1
717S37Very low38.8Very low97 Ų97136.1 Ų136.168%0.67880%0.797SS**  trans-100.2157.1-166.8-46.30000114
718K40.9Very low38.8Very low221 Ų221140.9 Ų140.996%0.96180%0.802SS**  trans-147.6139.9143-118.5173.4-176.2177.20109.9
719A36.1Very low38.3Very low90 Ų90141.2 Ų141.274%0.74480%0.804SS**  trans-134.2154.6-170.900000111.4
720V43Very low38.4Very low146 Ų146140.5 Ų140.589%0.88581%0.806SS**  trans-136.8139.4159.5178.10000107.1
721Q37.5Very low37.8Very low166 Ų166139.8 Ų139.878%0.77680%0.799SS**  trans-89159.2-173.7-121.6125.5-46.700112.6
722L39.1Very low37.9Very low145 Ų145143 Ų14376%0.75980%0.802SS**  176.9139.9106-89.3170.6000112.2
723N37.9Very low37.8Very low132 Ų132142.8 Ų142.871%0.70680%0.795SS**  trans46.1111150.6-64.313000119.4
724S36.1Very low37.9Very low101 Ų101143.8 Ų143.871%0.70680%0.803SS**  66.8132.579.175.50000113.4
725E42Very low38Very low191 Ų191142.5 Ų142.589%0.89380%0.803SS**  cis-133.6-168.947.5-66.3-175.892.500116.4
726Q37.9Very low38Very low202 Ų202140.5 Ų140.594%0.94481%0.806SS**  trans-86.4160.8-175-55.3171.78.200111.8
727G37.1Very low37.9Very low69 Ų69142 Ų14271%0.71181%0.806SS**  cis163.1-156.3-1.700000112.4
728K38.7Very low38Very low223 Ų223146.7 Ų146.797%0.9781%0.814SS**  trans73.2130.8-177.1-61.5-178178.5176.50116
729S32.2Very low37.7Very low104 Ų104147.9 Ų147.973%0.72781%0.812SS**  trans-133.2144.5-178173.80000109.1
730T37.8Very low37.7Very low137 Ų137153 Ų15384%0.8482%0.821SS**  trans-139.9126.5163.6-600000108.8
731V33Very low37.4Very low119 Ų119150 Ų15072%0.72181%0.806SS**  trans-105143.6174.8174.10000108.7
732I38.8Very low37.2Very low160 Ų160152.4 Ų152.482%0.82181%0.809SS**  trans-163.1154.1154-104146.7000110.5
733N37.2Very low37.3Very low137 Ų137151.2 Ų151.273%0.73381%0.81SS**  trans-73.6155.8-171.8-67.7-52.4000114.8
734P40.4Very low37Very low128 Ų128152.3 Ų152.383%0.83181%0.811SS**  trans-77.7131.6161.632.7-32.2000111.4
735V40.4Very low36.9Very low143 Ų143153 Ų15387%0.86782%0.815SS**  trans-128146.2170.1174.60000108.8
736A35.4Very low36.5Very low92 Ų92152.4 Ų152.476%0.7681%0.812SS**  trans-92.9136.8-167.400000114.7
737M38.1Very low36.2Very low180 Ų180148.2 Ų148.289%0.88781%0.805SS**  trans-142.8123.5150.1-80.1-144.7177.300107.8
738K38.8Very low36.2Very low195 Ų195150.7 Ų150.785%0.84881%0.811SS**  91.4118.670.2-165.4175.2-176179.20110.8
739R34Very low36Very low245 Ų245147.8 Ų147.893%0.92580%0.801SS**  trans-74.4151.4-178-79.6-178.7163.4-156.5-3.1112.5
740Q36.4Very low36.2Very low199 Ų199151.5 Ų151.593%0.9381%0.807SS**  trans-138.8170.9156.9-114.3171.7-17.400109.9
741S36Very low36.1Very low82 Ų82149.4 Ų149.457%0.57380%0.803SS**  trans-145.9-171.8-158.252.30000113.6
742Y33.8Very low36.5Very low216 Ų216149.8 Ų149.885%0.84781%0.808SS**  trans84.6161.6170.6-50.4-68.2000116.5
743P41.1Very low36.4Very low120 Ų120148.2 Ų148.278%0.77981%0.806SS**  cis-123.1179.6-5.120.72.9000115.2
744H31.4Very low36.5Very low156 Ų156146.5 Ų146.572%0.72281%0.811SS**  trans-131.1143.4166.3166.286.5000108.6
745C33.8Very low36.3Very low116 Ų116148.6 Ų148.678%0.78481%0.81SS**  trans-135.2159179.8-77.20000111.9
746Q34.2Very low36.2Very low178 Ų178149.7 Ų149.783%0.83281%0.809SS**  trans-115.4177.4-164.6-68.7-175.8-27.900114.9
747S32.2Very low36.1Very low114 Ų114153.2 Ų153.280%0.79781%0.807SS**  trans-73.6158.9-168.754.40000118.2
748S36.1Very low36.1Very low120 Ų120150.1 Ų150.184%0.83980%0.798SS**  trans-153-171.9138.7-156.40000112.2
749Q34.8Very low36Very low163 Ų163147.7 Ų147.776%0.76280%0.795SS**  trans-119.6176.4-150.9-50.5177.48.300117.3
750Q36.5Very low36.1Very low182 Ų182142.2 Ų142.285%0.8578%0.784SS**  trans93.8162.9155.8-64178.913.600120.2
751A35.4Very low36.1Very low92 Ų92140.4 Ų140.476%0.7678%0.779SS**  trans-145.5-173-161.500000109.3
752P42.4Very low36.2Very low127 Ų127140.2 Ų140.283%0.82579%0.791SS**  cis-142.8-147.816.244.9-21.8000116.6
753T36.2Very low36.4Very low128 Ų128140.2 Ų140.279%0.78580%0.795SS**  trans-86.5156.2-155.7-40.40000119.1
754A39.7Very low36.3Very low101 Ų101140.5 Ų140.584%0.83580%0.8SS**  trans-145.5170.215300000111.9
755Q34.8Very low36.3Very low172 Ų172140.9 Ų140.980%0.80480%0.804SS**  trans-134.2153.5-172.8-68.6-169.31.200115.7
756I38.8Very low36.5Very low165 Ų165143.2 Ų143.285%0.84681%0.807SS**  trans-175.7146.1142.1-100.5158.2000107.9
757K34.2Very low36.3Very low166 Ų166140 Ų14072%0.72280%0.804SS**  cis119.2151-5.4-163.8178176.3-1730114.7
758V37.9Very low36.5Very low116 Ų116140.9 Ų140.970%0.70380%0.804SS**  trans83.8112.8175-37.50000115.5
759N35.7Very low36.3Very low143 Ų143139.9 Ų139.977%0.76580%0.798SS**  92148.578.9-82.752.8000112.3
760D36.4Very low36.5Very low130 Ų130140.1 Ų140.170%0.69580%0.804SS**  cis-171.6176.3-13.4-174.316.7000109.1
761L37.3Very low36.4Very low161 Ų161134.5 Ų134.584%0.84380%0.795SS**  trans75.4147156.6-122.773.9000120.9
762G38.3Very low36.3Very low79 Ų79140.5 Ų140.581%0.81480%0.804SS**  trans13690.7161.900000116.5
763K36.8Very low36.6Very low216 Ų216139.9 Ų139.994%0.93980%0.8SS**  trans-106.6143.5169.3-64.2177.2-178.6175.70110.8
764S39.6Very low36.7Very low125 Ų125143.1 Ų143.187%0.87480%0.803SS**  trans-158.3155.2143.2-162.10000112.3
765M30.5Very low37.1Very low164 Ų164144.5 Ų144.581%0.80880%0.803SS**  trans-82.4159.3169.8-72.1156.243.200111.3
766I38Very low37.2Very low166 Ų166142.5 Ų142.585%0.85181%0.807SS**  -155147.2122.1-98.2148.2000107.6V768I766-V768 HydrophobicContact CG2-CG2 4.39Å
767S29.6Very low37.2Very low109 Ų109138.9 Ų138.976%0.76280%0.802SS**  trans-118.8131.3179178.60000109.7
768V37Very low38.1Very low133 Ų133137 Ų13781%0.80681%0.807SS**  trans-139.7137.6164.8-175.10000107.6I766I766-V768 HydrophobicContact CG2-CG2 4.39Å
769S32.5Very low38.1Very low100 Ų100139.1 Ų139.170%0.69981%0.814SS**  trans-126.4116.2-171.355.30000111.9
770D38Very low38.3Very low168 Ų168138.9 Ų138.990%0.89882%0.818SS**  trans-162.7152.3166.1-87.4-47.7000107.2
771G35.4Very low38.8Very low63 Ų63138.8 Ų138.865%0.64982%0.824SS**  cis-179.9125.5-7.900000108.9
772F34.2Very low38.7Very low218 Ų218135.7 Ų135.796%0.95682%0.816SS**PPolyproline II helixtrans-94.9129.1-171.8-100.3-81.4000113.6
773P46.8Very low39Very low114 Ų114139.8 Ų139.874%0.7482%0.819SS**PPolyproline II helixtrans-100.6140.5160.934.7-29000112.6
774K39.4Very low38.9Very low196 Ų196137.6 Ų137.685%0.85281%0.81SS**PPolyproline II helixtrans-94.6148.8167.7-68.8177.1179173.90110.5
775P47.4Very low39Very low130 Ų130137.2 Ų137.284%0.84480%0.804SS**PPolyproline II helixtrans-77.9147.2165.132.7-33.2000111.7
776C36.8Very low39.3Very low131 Ų131136.4 Ų136.489%0.88580%0.798SS**PPolyproline II helixtrans-95.4162.8-176.2-64.30000113.7
777A40.3Very low39.3Very low89 Ų89136.1 Ų136.174%0.73680%0.798SS**PPolyproline II helixtrans-92.1155.4169.400000111.8
778P51.8Low39.6Very low126 Ų126134.5 Ų134.582%0.81879%0.787SS**PPolyproline II helixtrans-83.6149.7177.633.6-34.6000113.2
779N38.9Very low39.7Very low161 Ų161134.9 Ų134.986%0.86179%0.785SS**PPolyproline II helixtrans-82.2158.5-179.6-75.5-38.4000113.8
780V40.1Very low40.1Very low138 Ų138139.1 Ų139.184%0.83679%0.79SS**  trans-123.4130.8161.9177.80000108.2
781P46.5Very low40Very low127 Ų127138.8 Ų138.883%0.82578%0.781SS**  trans-82.4145.3177.233.1-34000112.3
782S35.7Very low39.9Very low97 Ų97142.1 Ų142.168%0.67878%0.784SS**  trans-101.3153.618055.90000113.1
783N43.5Very low40Very low164 Ų164138.7 Ų138.788%0.87777%0.771SS**  trans-151153.5148.3-103.8-36.2000112.5
784F35.3Very low39.4Very low171 Ų171140.6 Ų140.675%0.7577%0.77SS**  trans-93.1-175.1-172.2-81.5-99000112.1H786F784-H786 HydrophobicContact CD1-CB 4.29Å
785P41.7Very low39.1Very low117 Ų117137.5 Ų137.576%0.7676%0.762SS**  cis-114.1161.3-7.213.511.8000112.7
786H35.9Very low38.4Very low146 Ų146135.5 Ų135.568%0.67676%0.756SS**  cis76.796.847.5-159.8-60.4000114.8F784F784-H786 HydrophobicContact CD1-CB 4.29Å
787D39.1Very low38.4Very low160 Ų160137.9 Ų137.986%0.85675%0.754SS**  trans-145157.3151.9-149.9-19.7000109.6
788S35.6Very low38.1Very low75 Ų75142.5 Ų142.552%0.52476%0.76SS.*  trans-153.2137.4-156.362.30000115.9
789N38.8Very low37.4Very low141 Ų141142.6 Ų142.675%0.75476%0.764SS**  trans-163.2127.9144.3-105.1-54.1000114.1
790K39.9Very low37.3Very low189 Ų189139.3 Ų139.382%0.82276%0.759SS**  28.1146.9129.6-67.4179.8-176.1173.70120.8
791F36.1Very low37.3Very low162 Ų162137.7 Ų137.771%0.71176%0.76SS**  cis179.9119.3-6.4164.7-97.3000109.7
792N35.2Very low37.3Very low132 Ų132138 Ų13871%0.70676%0.76SS**  trans-177.1160130.7-115.2-45000115.7
793Q35Very low38.2Very low146 Ų146137.8 Ų137.868%0.68276%0.764SS**  trans-78.8176.5171.8-54.5175.18.800110.6
794Q34.2Very low39.5Very low154 Ų154134.5 Ų134.572%0.7275%0.745SS**  cis-155.9171.93.2-140.2176.458.900105.6
795I33.6Very low41.6Very low132 Ų132129 Ų12968%0.67773%0.728SS**  cis-141.8161.38.5-37.9165.6000107.4
796A32.4Very low43.3Very low88 Ų88127.4 Ų127.473%0.72772%0.72SS**  trans-135.9126.4166.100000111.8
797H37.2Very low45.4Very low181 Ų181127 Ų12784%0.83872%0.719SS**  trans-88.5121.5171.8-74.5-93.6000110.4
798Q33.6Very low47.4Very low185 Ų185123.7 Ų123.786%0.86470%0.698SS**  trans-112.4119.5166-69.6-173.155.800109.6
799S37.4Very low49.4Very low129 Ų129123.6 Ų123.690%0.90269%0.691SS**  trans-95.399.4168-660000109.4
800A36.5Very low51.4Low92 Ų92120.7 Ų120.776%0.7668%0.675SS**  trans-81.5130.3170.600000110.2V802A800-V802 PolarHBondContact O-N 2.97Å
801A39.6Very low53.2Low104 Ų104117.9 Ų117.986%0.8667%0.665SS**  trans-76.6113.3175.200000110.4A803A801-A803 PolarHBondContact O-N 2.87Å
802V47.9Very low55.1Low134 Ų134115.2 Ų115.281%0.81266%0.657SS**  trans-77113.9173.8179.50000109.1A800A800-V802 PolarHBondContact O-N 2.97Å
803A53.6Low56.8Low92 Ų92114.4 Ų114.476%0.7665%0.649SS**PPolyproline II helixtrans-76.1127.9171.100000110.2A801A801-A803 PolarHBondContact O-N 2.87Å
804L70.1Confident58.6Low94 Ų94114.2 Ų114.249%0.49265%0.648SS.*PPolyproline II helixtrans-67.9143.4172.8-65.2174.9000110.4Q808 I809 L812L804-Q808 HydrophobicContact CB-CB 4.28Å; L804-I809 HydrophobicContact CB-CG1 4.43Å; L804-L812 HydrophobicContact CD1-CD1 4.33Å
805S80.8Confident60.3Low56 Ų56116.4 Ų116.439%0.39265%0.65SS.*PPolyproline II helixtrans-72.5156.8174.784.50000111.1Q807 Q808 I809S805-Q807 PolarHBondContact O-N 3.34Å; S805-Q807 VanDerWaalsContact O-N 3.14Å; S805-Q807 PolarHBondContact OG-N 3.18Å; S805-Q808 WeakPolarHBondContact O-CB 3.45Å; S805-Q808 PolarHBondContact O-N 3.31Å; S805-I809 PolarHBondContact O-N 2.94Å
806S76.2Confident61.4Low84 Ų84113 Ų11359%0.58764%0.642SS**Hα-helixtrans-52.4-39.1176.5-162.10000111.8Q808 I809 D810S806-Q808 VanDerWaalsContact C-N 3.28Å; S806-Q808 PolarHBondContact O-N 3.48Å; S806-I809 WeakPolarHBondContact O-CA 3.47Å; S806-I809 WeakPolarHBondContact O-CB 3.3Å; S806-I809 PolarHBondContact O-N 3.08Å; S806-D810 VanDerWaalsContact O-CG 3.24Å; S806-D810 PolarHBondContact O-N 3.45Å; S806-D810 VanDerWaalsContact O-OD2 3.09Å
807Q81Confident62.5Low138 Ų138115.2 Ų115.265%0.64564%0.64SS**Hα-helixtrans-65.7-27.5-179.7-157.1175.826.700113.3S805 Q811S805-Q807 PolarHBondContact O-N 3.34Å; S805-Q807 VanDerWaalsContact O-N 3.14Å; S805-Q807 PolarHBondContact OG-N 3.18Å; Q807-Q811 VanDerWaalsContact O-CG 3.3Å; Q807-Q811 WeakPolarHBondContact O-CG 3.36Å; Q807-Q811 PolarHBondContact O-N 3.05Å
808Q80.4Confident63.3Low89 Ų89110.9 Ų110.942%0.41663%0.631SS.*Hα-helixtrans-77.9-34172.4-64.5174.5-68.800111.6L804 S805 S806 L812L804-Q808 HydrophobicContact CB-CB 4.28Å; S805-Q808 WeakPolarHBondContact O-CB 3.45Å; S805-Q808 PolarHBondContact O-N 3.31Å; S806-Q808 VanDerWaalsContact C-N 3.28Å; S806-Q808 PolarHBondContact O-N 3.48Å; Q808-L812 WeakPolarHBondContact O-CG 3.5Å; Q808-L812 PolarHBondContact O-N 3.39Å; Q808-L812 VanDerWaalsContact O-N 3.08Å
809I78.8Confident64Low74 Ų74106.7 Ų106.738%0.37962%0.622SS.*Hα-helixtrans-66.6-45.6173.8-61.2171.1000109.9L804 S805 S806 Q811 L812 Q813L804-I809 HydrophobicContact CB-CG1 4.43Å; S805-I809 PolarHBondContact O-N 2.94Å; S806-I809 WeakPolarHBondContact O-CA 3.47Å; S806-I809 WeakPolarHBondContact O-CB 3.3Å; S806-I809 PolarHBondContact O-N 3.08Å; I809-Q811 PolarHBondContact O-N 2.64Å; I809-L812 PolarHBondContact O-N 2.97Å; I809-Q813 WeakPolarHBondContact O-CG 3.46Å; I809-Q813 PolarHBondContact O-N 3.2Å
810D80.8Confident64.2Low80 Ų80106.4 Ų106.443%0.42862%0.615SS.*Hα-helixtrans-61.2-42.2176.7-63.8-37.1000111.5S806 L812 Q813 H814S806-D810 VanDerWaalsContact O-CG 3.24Å; S806-D810 PolarHBondContact O-N 3.45Å; S806-D810 VanDerWaalsContact O-OD2 3.09Å; D810-L812 PolarHBondContact O-N 3.19Å; D810-Q813 PolarHBondContact O-N 2.96Å; D810-H814 WeakPolarHBondContact O-CB 3.24Å; D810-H814 PolarHBondContact O-N 2.99Å
811Q76.9Confident64.2Low130 Ų130105 Ų10561%0.60761%0.61SS**Hα-helixtrans-62.6-39.5174.2-78.1179.327.200112.9Q807 I809 R815Q807-Q811 VanDerWaalsContact O-CG 3.3Å; Q807-Q811 WeakPolarHBondContact O-CG 3.36Å; Q807-Q811 PolarHBondContact O-N 3.05Å; I809-Q811 PolarHBondContact O-N 2.64Å; Q811-R815 WeakPolarHBondContact O-CB 3.37Å; Q811-R815 PolarHBondContact O-N 3.1Å
812L75.4Confident64Low105 Ų105112.2 Ų112.255%0.5561%0.614SS.*Hα-helixtrans-65.5-41.7175.1-79.3164.7000111.7L804 Q808 I809 D810 R815 A816L804-L812 HydrophobicContact CD1-CD1 4.33Å; Q808-L812 WeakPolarHBondContact O-CG 3.5Å; Q808-L812 PolarHBondContact O-N 3.39Å; Q808-L812 VanDerWaalsContact O-N 3.08Å; I809-L812 PolarHBondContact O-N 2.97Å; D810-L812 PolarHBondContact O-N 3.19Å; L812-R815 PolarHBondContact O-N 3.12Å; L812-A816 WeakPolarHBondContact O-CB 3.44Å; L812-A816 PolarHBondContact O-N 2.81Å
813Q72Confident63.5Low115 Ų115111.9 Ų111.954%0.53761%0.613SS.*Hα-helixtrans-64.9-45.2175.8-69.2-178.316.200111.8I809 D810 R815 A816 L817I809-Q813 WeakPolarHBondContact O-CG 3.46Å; I809-Q813 PolarHBondContact O-N 3.2Å; D810-Q813 PolarHBondContact O-N 2.96Å; Q813-R815 VanDerWaalsContact C-N 3.28Å; Q813-R815 PolarHBondContact O-N 2.88Å; Q813-A816 PolarHBondContact O-N 2.97Å; Q813-L817 WeakPolarHBondContact O-CG 3.32Å; Q813-L817 PolarHBondContact O-N 2.74Å
814H72.3Confident62.5Low142 Ų142111 Ų11166%0.65761%0.612SS**Hα-helixtrans-60.3-37.4176-119.6-72.3000112.6D810 S818D810-H814 WeakPolarHBondContact O-CB 3.24Å; D810-H814 PolarHBondContact O-N 2.99Å; H814-S818 WeakPolarHBondContact O-CB 3.4Å; H814-S818 PolarHBondContact O-N 3.21Å; H814-S818 PolarHBondContact O-OG 3.03Å
815R69.7Low61.1Low201 Ų201114.3 Ų114.376%0.75863%0.63SS**Hα-helixtrans-70.8-39.3178-161.2170.2-169.6146.81.3112.2Q811 L812 Q813 S818Q811-R815 WeakPolarHBondContact O-CB 3.37Å; Q811-R815 PolarHBondContact O-N 3.1Å; L812-R815 PolarHBondContact O-N 3.12Å; Q813-R815 VanDerWaalsContact C-N 3.28Å; Q813-R815 PolarHBondContact O-N 2.88Å; R815-S818 PolarHBondContact O-N 3.06Å
816A57.4Low58.9Low61 Ų61118.7 Ų118.750%0.50465%0.649SS.*Hα-helixtrans-67.7-36.7174.800000113L812 Q813 S818 S819L812-A816 WeakPolarHBondContact O-CB 3.44Å; L812-A816 PolarHBondContact O-N 2.81Å; Q813-A816 PolarHBondContact O-N 2.97Å; A816-S818 VanDerWaalsContact C-N 3.25Å; A816-S818 PolarHBondContact O-N 3.31Å; A816-S819 PolarHBondContact O-OG 3.26Å
817L55.8Low57.2Low133 Ų133122.6 Ų122.670%0.69666%0.662SS**Hα-helixtrans-72-19.3175.3-68.3172.4000113.2Q813Q813-L817 WeakPolarHBondContact O-CG 3.32Å; Q813-L817 PolarHBondContact O-N 2.74Å
818S53.8Low55Low91 Ų91123 Ų12364%0.63667%0.669SS**THydrogen-bonded Turntrans-87-11.4179.3-60.70000113.9H814 R815 A816H814-S818 WeakPolarHBondContact O-CB 3.4Å; H814-S818 PolarHBondContact O-N 3.21Å; H814-S818 PolarHBondContact O-OG 3.03Å; R815-S818 PolarHBondContact O-N 3.06Å; A816-S818 VanDerWaalsContact C-N 3.25Å; A816-S818 PolarHBondContact O-N 3.31Å
819S46.6Very low53Low97 Ų97124.3 Ų124.368%0.67869%0.685SS**SBendtrans-92.10.2-17951.20000115.3A816A816-S819 PolarHBondContact O-OG 3.26Å
820T41.9Very low50.9Low122 Ų122127.7 Ų127.775%0.74871%0.709SS**  trans-110.955.4-179.346.30000112.5
821G37.8Very low48.8Very low64 Ų64132.1 Ų132.166%0.6673%0.732SS**  trans-123.4130.3176.400000112.2V823G821-V823 PolarHBondContact O-N 3.47Å
822R34.8Very low46.8Very low254 Ų254129 Ų12996%0.95874%0.735SS**  trans-63.6129.2177.5-70176.5171.4-175.2-4111.6
823V38Very low44.8Very low128 Ų128128.9 Ų128.978%0.77675%0.749SS**  trans-136.9121.4146.8-176.80000108.3G821 L825G821-V823 PolarHBondContact O-N 3.47Å; V823-L825 HydrophobicContact CG1-CD1 4.21Å; V823-L825 HydrophobicContact CG1-CG 4.06Å
824G32.9Very low43.1Very low73 Ų73127.7 Ų127.775%0.75376%0.759SS**  trans-114.4116.7161.600000107.9
825L39.7Very low41.4Very low163 Ų163127 Ų12785%0.85377%0.77SS**  trans-139.2141.5171.2-76.5179.3000109.6V823V823-L825 HydrophobicContact CG1-CD1 4.21Å; V823-L825 HydrophobicContact CG1-CG 4.06Å
826N33.9Very low39.7Very low149 Ų149122.1 Ų122.180%0.79777%0.772SS**  trans-101.3117.3-174170.38.5000109.7
827L41.1Very low38.9Very low165 Ų165127.1 Ų127.186%0.86479%0.79SS**  trans-147.7103.6168.5-77-177.6000112.4
828N35.7Very low38Very low147 Ų147127.1 Ų127.179%0.78679%0.79SS**  trans30.2148.4150.7-81.5-16.2000124.1
829P38Very low37.5Very low117 Ų117132.1 Ų132.176%0.7680%0.8SS**  trans-99.7122.3-17537.2-30.7000114.7
830T35.3Very low37.4Very low144 Ų144132.7 Ų132.788%0.88380%0.802SS**  trans-145.8102.4159.6-50.90000110.8
831L35.1Very low37.2Very low174 Ų174132.9 Ų132.991%0.91181%0.805SS**  trans-148.395164.3-150.1160000109.2
832G35.5Very low37.3Very low64 Ų64138.8 Ų138.866%0.6682%0.816SS**  trans-91.1141.2-179.900000112.1
833A34.1Very low37.8Very low103 Ų103132 Ų13285%0.85180%0.804SS**  trans41.1125153.900000117.9
834A35.4Very low37.9Very low90 Ų90131.6 Ų131.674%0.74480%0.804SS**  cis-178.8139.440.400000111.1
835S37.5Very low38.8Very low128 Ų128134.4 Ų134.490%0.89581%0.809SS**  trans171120132.2-79.60000109.3
836A33.9Very low38.6Very low97 Ų97130.3 Ų130.380%0.80280%0.799SS**  trans-134.7110.5-179.600000110.9
837L40.1Very low38.7Very low167 Ų167131.7 Ų131.787%0.87480%0.8SS**  trans-154.6139.8165.5-69.6179.5000106.7
838L37.8Very low38.5Very low133 Ų133133.3 Ų133.370%0.69680%0.803SS**  cis-166140.2-19.5-169.279.5000106.5
839F43.5Very low38.2Very low196 Ų196131.3 Ų131.386%0.8680%0.801SS**  trans161151.4144.8-87.4-61000110.6
840P44.3Very low38Very low109 Ų109135 Ų13571%0.70881%0.805SS**PPolyproline II helixtrans-95162.7-163.837.5-37.2000115
841P35.9Very low38Very low126 Ų126139.8 Ų139.882%0.81881%0.809SS**PPolyproline II helixtrans-76.5149.6177.932.1-36.1000113.3
842Q41.9Very low37.8Very low188 Ų188141 Ų14188%0.87981%0.81SS**PPolyproline II helixtrans-93.7152.7167.8-85.7-165.1-5100112.4
843P44.9Very low37.8Very low110 Ų110142.4 Ų142.471%0.71481%0.81SS**PPolyproline II helixtrans-82.4160-179.534.7-36.5000113.1
844P39Very low37.8Very low121 Ų121145.7 Ų145.779%0.78681%0.812SS**PPolyproline II helixtrans-73.6137.4177.530.4-34.8000112.2
845P51.8Low37.7Very low132 Ų132146.3 Ų146.386%0.85781%0.811SS**PPolyproline II helixtrans-78.5146.8173.232.2-33.9000111.8
846A35.6Very low37.6Very low77 Ų77144.6 Ų144.664%0.63680%0.799SS**  trans-125.9150.2177.200000111.5
847H37.1Very low37.8Very low177 Ų177148.9 Ų148.982%0.81980%0.802SS**  trans68.3156.8-178.6-50.8-73.9000113
848Q35.7Very low37.6Very low199 Ų199148.4 Ų148.493%0.9379%0.793SS**  cis-135.5145.827.7-57.4175.811.900114.4
849S29.5Very low37.6Very low106 Ų106148.7 Ų148.774%0.74179%0.791SS**  trans-117120.8168.148.20000109.9
850K35.3Very low37.4Very low194 Ų194145.6 Ų145.684%0.84378%0.783SS**  trans175.3111.6153.7-104.2163.3-176.3176.30112.2
851Y33.4Very low37.3Very low245 Ų245144.9 Ų144.996%0.96178%0.781SS**  trans-150.287.1139.6-87.1-64.2000109
852Q31.4Very low37.5Very low199 Ų199149.2 Ų149.293%0.9378%0.781SS**  trans-143.7119.8167.5-159176.338.400107.2
853S35.2Very low37.4Very low94 Ų94147.3 Ų147.366%0.65777%0.772SS**  trans-150120.3-166.156.90000111.6
854L34.3Very low37Very low172 Ų172149.9 Ų149.990%0.90178%0.78SS**  trans66.5143.4162.9-51.3163.4000114.6
855S32.6Very low37.2Very low102 Ų102150.5 Ų150.571%0.71378%0.775SS**  cis-169.1159-12.453.60000105.6
856S36Very low36.7Very low93 Ų93152.2 Ų152.265%0.6578%0.775SS**  cis-168.1159.434.1-58.30000110
857Q37.5Very low36.9Very low186 Ų186151.5 Ų151.587%0.86978%0.775SS**  trans49147144.3-64.4177.5-26.400120.1
858K37.8Very low37.1Very low157 Ų157148.4 Ų148.468%0.68377%0.774SS**  cis-161.8161.729.9-157.2-179.8157.1-174.40111.7
859E37.9Very low37.6Very low140 Ų140146.5 Ų146.565%0.65477%0.768SS**  trans2.8152.9157.1-68.8144.7-131.400120.5
860D39.3Very low38.5Very low130 Ų130146.5 Ų146.570%0.69577%0.766SS**  cis-159.8137.94.2-115.3-25.6000108
861S40.5Very low38.7Very low95 Ų95142.7 Ų142.766%0.66476%0.764SS**  82.3129.881.9-66.10000117.2
862R40.4Very low39Very low216 Ų216135 Ų13582%0.81575%0.751SS**  trans73.8154.6169.7-59.5-160.4163.2106.83.6118.6
863E40.4Very low39.6Very low148 Ų148134.1 Ų134.169%0.69275%0.746SS**  cis-163.3148.2-29-108.5155.7-146.700105.3
864N36.3Very low39.8Very low165 Ų165134.4 Ų134.488%0.88275%0.748SS**  trans-154.5119.2174.3-149.4-12.1000112.5
865I42.2Very low40.2Very low133 Ų133131.1 Ų131.168%0.68274%0.74SS**  trans-149.9113-168.9-64.7-176.6000110.4
866I42.5Very low40.5Very low168 Ų168133.3 Ų133.386%0.86274%0.743SS**  trans57.8133.8152.6-52.9168.3000117.6
867G39.7Very low41Very low62 Ų62137 Ų13764%0.63976%0.756SS**  cis161.7178.8-0.200000112.4
868S40.2Very low41.1Very low112 Ų112136.7 Ų136.778%0.78375%0.754SS**  trans72.6125.8173.7-510000117.6
869I46.4Very low41.5Very low159 Ų159138.5 Ų138.582%0.81576%0.762SS**  cis77.1134.134.6-56.4175000112.3
870P48.7Very low41.7Very low107 Ų107143.6 Ų143.670%0.69579%0.793SS**  cis-139.8172.7-0.339.4-19.6000119.7
871S39.8Very low41.8Very low114 Ų114144.3 Ų144.380%0.79780%0.798SS**  trans56.9114134.4-66.90000127.2
872A40.7Very low41.9Very low83 Ų83146.9 Ų146.969%0.68681%0.805SS**  96.9149.4104.100000124.4
873H43Very low41.9Very low181 Ų181143.1 Ų143.184%0.83880%0.804SS**  trans65.9118.4172.1-61.1-73000117.5
874S39.4Very low42Very low100 Ų100142.8 Ų142.870%0.69981%0.811SS**  cis96.8104.142.5174.20000113.8
875S43.6Very low42.4Very low103 Ų103141.4 Ų141.472%0.7281%0.806SS**  176132.9128-78.20000113.8
876N38.6Very low42.4Very low148 Ų148141.9 Ų141.979%0.79181%0.814SS**  trans31.2129.7145.2-55.5-23.9000121.1
877N46.1Very low42.4Very low170 Ų170140.1 Ų140.191%0.90981%0.811SS**  -153.9163.4120.3-110.6-50.8000113.6
878Q39.5Very low42.6Very low179 Ų179146.1 Ų146.184%0.83682%0.824SS**  trans-102.8129.9-176.8-61.9171.6-20.800111.7
879K45.7Very low42.8Very low196 Ų196148.9 Ų148.985%0.85283%0.828SS**  173.4145.5126.5-102.2173.5178179.80113.9
880L42Very low42.5Very low247 Ų247148 Ų148100%1.29383%0.829SS**  trans70.20169.9-67.8161.9000115.7

Retrieved 880 of 880 residues in 1290.2 ms (Link to these results)