A0A5K4F8K1_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F8K1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 451 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
1M47Very low51.2Low241 Ų241165.2 Ų165.2100%1.18788%0.883SS**  0114.80-52.2177.28500105
2S60Low50.5Low121 Ų121169.9 Ų169.985%0.84689%0.89SS**  cis-146.4135.518.3-65.80000108.5
3K47.4Very low50.4Low196 Ų196162.4 Ų162.485%0.85288%0.879SS**  trans-86.5139.4167.3-68.9174.7176.7174.30107.4
4N57.1Low50.4Low174 Ų174164.9 Ų164.993%0.9388%0.877SS**  trans-140.1110150.7-96.2-1.4000109.1
5T45.8Very low49.6Very low136 Ų136163.9 Ų163.983%0.83487%0.873SS**  trans-99.6128.9165.4460000108
6S58.7Low49.6Very low123 Ų123162.8 Ų162.886%0.8687%0.865SS**  trans-131.3118.416153.70000109.1
7R45.8Very low49.3Very low240 Ų240161.2 Ų161.291%0.90686%0.857SS**  trans-86.5169.8176.9-77.4178.3172.1166-2.8111.6
8S52.3Low49Very low119 Ų119159.2 Ų159.283%0.83285%0.851SS**  trans94.2138.3166.985.40000113.3
9K52.3Low48.8Very low187 Ų187155.8 Ų155.881%0.81384%0.842SS**  cis-161.3145.527.8-171.3171.4176.2176.30108.7
10A45.9Very low48.9Very low97 Ų97155.8 Ų155.880%0.80284%0.84SS**  trans-66.6127.8174.900000111.1
11E50.9Low49.2Very low183 Ų183155.3 Ų155.386%0.85584%0.836SS**  trans-129.7130.1160-78.6-167.6163.600110.5G13E11-G13 PolarHBondContact O-N 3.28Å
12K43Very low49.9Very low222 Ų222148 Ų14897%0.96581%0.805SS**  trans-84.392.5-173.5-160.3169.8-176.5175.60106.8
13G49.4Very low50Low72 Ų72148.4 Ų148.474%0.74279%0.793SS**  trans-101.7123-179.100000112E11E11-G13 PolarHBondContact O-N 3.28Å
14K50.1Low51.1Low197 Ų197142.2 Ų142.286%0.85777%0.77SS**  trans-40.9136.2178.7-86.4158.3165.2170.30115.6I16K14-I16 PolarHBondContact O-N 3.2Å
15N37.8Very low51.8Low151 Ų151138.1 Ų138.181%0.80775%0.751SS**  trans-27.1109148.4-125.3-12.6000112.4
16I49.8Very low53.1Low146 Ų146134.9 Ų134.975%0.74973%0.727SS**  trans-121.2105.6158.4-65.4170.5000104.4K14 T18K14-I16 PolarHBondContact O-N 3.2Å; I16-T18 PolarHBondContact O-N 2.9Å
17N44.9Very low53.7Low136 Ų136134.2 Ų134.273%0.72772%0.72SS**  trans-54.6100.9168.8-63.9-32.4000107.5S19N17-S19 PolarHBondContact O-N 2.91Å
18T44Very low54.9Low124 Ų124126.2 Ų126.276%0.76171%0.713SS**  trans-68.284.6155.7460000105.5I16 L20I16-T18 PolarHBondContact O-N 2.9Å; T18-L20 VanDerWaalsContact C-N 3.28Å; T18-L20 PolarHBondContact O-N 3.01Å
19S44.4Very low56Low95 Ų95128.5 Ų128.566%0.66471%0.707SS**  trans-51.8105157.549.10000105.3N17 I21N17-S19 PolarHBondContact O-N 2.91Å; S19-I21 PolarHBondContact O-N 2.76Å
20L51.6Low57Low156 Ų156120.1 Ų120.182%0.81767%0.673SS**  trans-46.4116.5159.3-89.399.3000104.7T18 V22T18-L20 VanDerWaalsContact C-N 3.28Å; T18-L20 PolarHBondContact O-N 3.01Å; L20-V22 PolarHBondContact O-N 2.97Å
21I55.8Low58.9Low146 Ų146117 Ų11775%0.74965%0.646SS**  trans-66.387.9172.9-62.2167.6000103.6S19 Q23S19-I21 PolarHBondContact O-N 2.76Å; I21-Q23 VanDerWaalsContact C-N 3.32Å; I21-Q23 HydrophobicContact CG2-CG 4.35Å; I21-Q23 PolarHBondContact O-N 2.9Å
22V60.6Low60.6Low88 Ų88112.4 Ų112.453%0.53362%0.624SS.*  trans-63.3105.7165.9-177.20000103.3L20 D24L20-V22 PolarHBondContact O-N 2.97Å; V22-D24 VanDerWaalsContact CG1-OD1 3.29Å; V22-D24 WeakPolarHBondContact CG1-OD1 3.24Å; V22-D24 PolarHBondContact O-N 2.93Å
23Q62.2Low62.7Low128 Ų128105.6 Ų105.660%0.59860%0.604SS**  trans-67.497.3169.5-73.1-171.317.500105.5I21 V25 E32I21-Q23 VanDerWaalsContact C-N 3.32Å; I21-Q23 HydrophobicContact CG2-CG 4.35Å; I21-Q23 PolarHBondContact O-N 2.9Å; Q23-V25 PolarHBondContact O-N 3.43Å; Q23-E32 VanDerWaalsContact O-CB 3.24Å; Q23-E32 WeakPolarHBondContact O-CB 3.29Å; Q23-E32 PolarHBondContact O-N 2.9Å
24D70.4Confident64.6Low67 Ų67107 Ų10736%0.35859%0.592SS.*EExtended strand (participates in β ladder)trans-75.6115.2170.1-77.7-2.4000107.3V22 I26 G28V22-D24 VanDerWaalsContact CG1-OD1 3.29Å; V22-D24 WeakPolarHBondContact CG1-OD1 3.24Å; V22-D24 PolarHBondContact O-N 2.93Å; D24-I26 PolarHBondContact O-N 3.44Å; D24-G28 PolarHBondContact OD2-N 3.1Å
25V71.9Confident66.5Low88 Ų88101.1 Ų101.153%0.53356%0.564SS.*EExtended strand (participates in β ladder)trans-66.7-33.7172.2176.90000109.5Q23 A30 E32 W35Q23-V25 PolarHBondContact O-N 3.43Å; V25-A30 PolarHBondContact N-O 3.04Å; V25-E32 HydrophobicContact CG2-CB 3.91Å; V25-E32 HydrophobicContact CG2-CG 4.18Å; V25-W35 HydrophobicContact CB-CD2 4.4Å; V25-W35 HydrophobicContact CB-CG 3.86Å; V25-W35 HydrophobicContact CG1-CD2 4.32Å; V25-W35 HydrophobicContact CG1-CG 4.15Å; V25-W35 HydrophobicContact CG2-CB 4.25Å; V25-W35 HydrophobicContact CG2-CG 4.06Å
26I74Confident69.1Low67 Ų6798.1 Ų98.134%0.34455%0.548SS..EExtended strand (participates in β ladder)trans-122.2112.1164.3-57.5-166.7000108.5D24 G28 K29 A30 W35D24-I26 PolarHBondContact O-N 3.44Å; I26-G28 PolarHBondContact O-N 3.49Å; I26-G28 VanDerWaalsContact O-N 3.08Å; I26-K29 HydrophobicContact CB-CB 4.11Å; I26-K29 HydrophobicContact CG2-CB 3.74Å; I26-K29 HydrophobicContact CG2-CD 4.09Å; I26-K29 HydrophobicContact CG2-CG 3.99Å; I26-K29 PolarHBondContact O-N 2.92Å; I26-A30 PolarHBondContact O-N 3.16Å; I26-W35 HydrophobicContact CB-CZ2 4.04Å; I26-W35 HydrophobicContact CD1-CH2 3.52Å; I26-W35 HydrophobicContact CD1-CZ2 3.14Å; I26-W35 HydrophobicContact CG1-CH2 4.17Å; I26-W35 HydrophobicContact CG1-CZ2 3.36Å
27P71.1Confident71.1Confident110 Ų11097 Ų9771%0.71454%0.54SS*.THydrogen-bonded Turntrans-48.4117.5-179.3-29.434.8000112.2K29P27-K29 VanDerWaalsContact C-N 3.29Å; P27-K29 PolarHBondContact O-N 2.98Å
28G71.1Confident73.3Confident72 Ų7295.5 Ų95.574%0.74253%0.531SS*.THydrogen-bonded Turntrans71.410.3176.300000116.5D24 I26D24-G28 PolarHBondContact OD2-N 3.1Å; I26-G28 PolarHBondContact O-N 3.49Å; I26-G28 VanDerWaalsContact O-N 3.08Å
29K75Confident75.6Confident167 Ų16793.9 Ų93.973%0.72652%0.517SS*.THydrogen-bonded Turntrans-118.8-39.4175.6-67.5-160.6176-172.30114.7I26 P27I26-K29 HydrophobicContact CB-CB 4.11Å; I26-K29 HydrophobicContact CG2-CB 3.74Å; I26-K29 HydrophobicContact CG2-CD 4.09Å; I26-K29 HydrophobicContact CG2-CG 3.99Å; I26-K29 PolarHBondContact O-N 2.92Å; P27-K29 VanDerWaalsContact C-N 3.29Å; P27-K29 PolarHBondContact O-N 2.98Å
30A74Confident78.1Confident11 Ų1195.9 Ų95.99%0.09152%0.516CS..EExtended strand (participates in β ladder)trans-158.8134.5175.100000111V25 I26 E34 W35V25-A30 PolarHBondContact N-O 3.04Å; I26-A30 PolarHBondContact O-N 3.16Å; A30-E34 VanDerWaalsContact CA-OE2 3.31Å; A30-E34 WeakPolarHBondContact CA-OE2 3.47Å; A30-E34 HydrophobicContact CB-CB 4.17Å; A30-E34 HydrophobicContact CB-CG 4.03Å; A30-E34 WeakPolarHBondContact CB-OE2 3.43Å; A30-W35 VanDerWaalsContact CB-CD1 3.49Å; A30-W35 HydrophobicContact CB-CD2 4.35Å; A30-W35 HydrophobicContact CB-CG 4.29Å; A30-W35 HydrophobicContact CB-CZ2 4Å; A30-W35 VanDerWaalsContact O-CD1 3.29Å; A30-W35 PolarHBondContact O-NE1 3.25Å; A30-W35 VanDerWaalsContact O-NE1 3.1Å
31S85Confident80.1Confident32 Ų3293.9 Ų93.922%0.22451%0.506CS..EExtended strand (participates in β ladder)trans-71154.8174.268.80000110.6S33 E34 W35S31-S33 PolarHBondContact O-N 3.02Å; S31-S33 VanDerWaalsContact O-N 3.11Å; S31-E34 WeakPolarHBondContact O-CB 3.49Å; S31-E34 PolarHBondContact O-N 3.48Å; S31-E34 PolarHBondContact OG-N 3.45Å; S31-W35 PolarHBondContact O-N 3.11Å
32E86.9Confident82.1Confident85 Ų8592 Ų9240%0.39750%0.497SS..Hα-helixtrans-50.5-35175.2-177178.4-171.800113.4Q23 V25 W35 N36Q23-E32 VanDerWaalsContact O-CB 3.24Å; Q23-E32 WeakPolarHBondContact O-CB 3.29Å; Q23-E32 PolarHBondContact O-N 2.9Å; V25-E32 HydrophobicContact CG2-CB 3.91Å; V25-E32 HydrophobicContact CG2-CG 4.18Å; E32-W35 PolarHBondContact O-N 3.35Å; E32-N36 PolarHBondContact O-N 2.94Å; E32-N36 PolarHBondContact O-ND2 3.4Å; E32-N36 VanDerWaalsContact O-ND2 3.16Å
33S86.7Confident83.8Confident79 Ų7992.8 Ų92.855%0.55250%0.498SS*.Hα-helixtrans-63.8-46.2174.3-58.40000112.7S31 W35 N36 E37S31-S33 PolarHBondContact O-N 3.02Å; S31-S33 VanDerWaalsContact O-N 3.11Å; S33-W35 VanDerWaalsContact C-N 3.32Å; S33-W35 PolarHBondContact O-N 2.97Å; S33-N36 PolarHBondContact O-N 3.05Å; S33-E37 WeakPolarHBondContact O-CG 3.39Å; S33-E37 PolarHBondContact O-N 3.28Å
34E89.5Confident85.4Confident103 Ų10389 Ų8948%0.48149%0.489SS..Hα-helixtrans-65.7-35.4178.5-174.8178.1-177.600111.9A30 S31 L38A30-E34 VanDerWaalsContact CA-OE2 3.31Å; A30-E34 WeakPolarHBondContact CA-OE2 3.47Å; A30-E34 HydrophobicContact CB-CB 4.17Å; A30-E34 HydrophobicContact CB-CG 4.03Å; A30-E34 WeakPolarHBondContact CB-OE2 3.43Å; S31-E34 WeakPolarHBondContact O-CB 3.49Å; S31-E34 PolarHBondContact O-N 3.48Å; S31-E34 PolarHBondContact OG-N 3.45Å; E34-L38 WeakPolarHBondContact O-CB 3.33Å; E34-L38 PolarHBondContact O-N 3.18Å
35W90.8Very high86.6Confident72 Ų7292.7 Ų92.727%0.27350%0.504SS..Hα-helixtrans-66-41.4173-77.997.8000113V25 I26 A30 S31 E32 S33 L38 I39V25-W35 HydrophobicContact CB-CD2 4.4Å; V25-W35 HydrophobicContact CB-CG 3.86Å; V25-W35 HydrophobicContact CG1-CD2 4.32Å; V25-W35 HydrophobicContact CG1-CG 4.15Å; V25-W35 HydrophobicContact CG2-CB 4.25Å; V25-W35 HydrophobicContact CG2-CG 4.06Å; I26-W35 HydrophobicContact CB-CZ2 4.04Å; I26-W35 HydrophobicContact CD1-CH2 3.52Å; I26-W35 HydrophobicContact CD1-CZ2 3.14Å; I26-W35 HydrophobicContact CG1-CH2 4.17Å; I26-W35 HydrophobicContact CG1-CZ2 3.36Å; A30-W35 VanDerWaalsContact CB-CD1 3.49Å; A30-W35 HydrophobicContact CB-CD2 4.35Å; A30-W35 HydrophobicContact CB-CG 4.29Å; A30-W35 HydrophobicContact CB-CZ2 4Å; A30-W35 VanDerWaalsContact O-CD1 3.29Å; A30-W35 PolarHBondContact O-NE1 3.25Å; A30-W35 VanDerWaalsContact O-NE1 3.1Å; S31-W35 PolarHBondContact O-N 3.11Å; E32-W35 PolarHBondContact O-N 3.35Å; S33-W35 VanDerWaalsContact C-N 3.32Å; S33-W35 PolarHBondContact O-N 2.97Å; W35-L38 HydrophobicContact CE3-CD2 4.31Å; W35-L38 HydrophobicContact CZ3-CD2 4.16Å; W35-L38 PolarHBondContact O-N 2.89Å; W35-I39 WeakPolarHBondContact O-CG1 3.42Å; W35-I39 PolarHBondContact O-N 3.3Å; W35-I39 VanDerWaalsContact O-N 3.1Å
36N90.5Very high87.8Confident89 Ų8993.1 Ų93.148%0.47650%0.499SS..Hα-helixtrans-68.2-38.9177.1-72.4-32.6000111.6E32 S33 I39 E40E32-N36 PolarHBondContact O-N 2.94Å; E32-N36 PolarHBondContact O-ND2 3.4Å; E32-N36 VanDerWaalsContact O-ND2 3.16Å; S33-N36 PolarHBondContact O-N 3.05Å; N36-I39 PolarHBondContact O-N 3.37Å; N36-E40 WeakPolarHBondContact O-CB 3.35Å; N36-E40 PolarHBondContact O-N 2.94Å
37E91.9Very high88.9Confident123 Ų12393.7 Ų93.758%0.57551%0.505SS*.Hα-helixtrans-60.5-44.9172.6-75176.1-168.600111.4S33 I39 E40 D41S33-E37 WeakPolarHBondContact O-CG 3.39Å; S33-E37 PolarHBondContact O-N 3.28Å; E37-I39 VanDerWaalsContact C-N 3.31Å; E37-I39 PolarHBondContact O-N 3.36Å; E37-E40 PolarHBondContact O-N 3.08Å; E37-D41 PolarHBondContact O-N 3.48Å
38L91.3Very high90.2Very high103 Ų10392.1 Ų92.154%0.53950%0.496SS..Hα-helixtrans-60.8-38.9176.2-179.166000112.7E34 W35 D42E34-L38 WeakPolarHBondContact O-CB 3.33Å; E34-L38 PolarHBondContact O-N 3.18Å; W35-L38 HydrophobicContact CE3-CD2 4.31Å; W35-L38 HydrophobicContact CZ3-CD2 4.16Å; W35-L38 PolarHBondContact O-N 2.89Å; L38-D42 PolarHBondContact O-N 3.32Å
39I93.9Very high91.5Very high91 Ų9195.3 Ų95.347%0.46749%0.486SS..Hα-helixtrans-69-40.8176-68.1166.2000110.5W35 N36 E37 D41 D42 L43W35-I39 WeakPolarHBondContact O-CG1 3.42Å; W35-I39 PolarHBondContact O-N 3.3Å; W35-I39 VanDerWaalsContact O-N 3.1Å; N36-I39 PolarHBondContact O-N 3.37Å; E37-I39 VanDerWaalsContact C-N 3.31Å; E37-I39 PolarHBondContact O-N 3.36Å; I39-D41 VanDerWaalsContact C-N 3.34Å; I39-D42 PolarHBondContact O-N 2.99Å; I39-L43 HydrophobicContact CG2-CD1 3.94Å; I39-L43 HydrophobicContact CG2-CG 4.34Å; I39-L43 WeakPolarHBondContact O-CB 3.31Å; I39-L43 VanDerWaalsContact O-CG 3.23Å; I39-L43 WeakPolarHBondContact O-CG 3.31Å; I39-L43 PolarHBondContact O-N 3.43Å
40E95.1Very high92.6Very high137 Ų13790.2 Ų90.264%0.6447%0.467SS*.Hα-helixtrans-62.7-41.5176.6-172.1172.4-177.100111.4N36 E37 L43 A44N36-E40 WeakPolarHBondContact O-CB 3.35Å; N36-E40 PolarHBondContact O-N 2.94Å; E37-E40 PolarHBondContact O-N 3.08Å; E40-L43 PolarHBondContact O-N 3.1Å; E40-A44 VanDerWaalsContact O-CB 3.31Å; E40-A44 WeakPolarHBondContact O-CB 3.23Å; E40-A44 PolarHBondContact O-N 3.03Å
41D95.3Very high93.7Very high114 Ų11494.1 Ų94.161%0.6149%0.486SS*.Hα-helixtrans-63.5-45.6175-79.6-9.8000112.2E37 I39 L43 A44 E45E37-D41 PolarHBondContact O-N 3.48Å; I39-D41 VanDerWaalsContact C-N 3.34Å; D41-L43 VanDerWaalsContact C-N 3.35Å; D41-L43 PolarHBondContact O-N 3.02Å; D41-A44 PolarHBondContact O-N 3.34Å; D41-E45 WeakPolarHBondContact O-CB 3.38Å; D41-E45 PolarHBondContact O-N 3.48Å
42D96Very high94.3Very high106 Ų10696.8 Ų96.857%0.56750%0.501SS*.Hα-helixtrans-63.1-40.2176.2-174.656.5000111.6L38 I39 E45 K46L38-D42 PolarHBondContact O-N 3.32Å; I39-D42 PolarHBondContact O-N 2.99Å; D42-E45 PolarHBondContact O-N 3.4Å; D42-K46 VanDerWaalsContact O-CB 3.27Å; D42-K46 WeakPolarHBondContact O-CB 3.31Å; D42-K46 PolarHBondContact O-N 3.42Å
43L96.2Very high94.9Very high104 Ų10496.7 Ų96.755%0.54550%0.499SS..Hα-helixtrans-66.1-38.8174.2-72.8174000112.1I39 E40 D41 K46 T47I39-L43 HydrophobicContact CG2-CD1 3.94Å; I39-L43 HydrophobicContact CG2-CG 4.34Å; I39-L43 WeakPolarHBondContact O-CB 3.31Å; I39-L43 VanDerWaalsContact O-CG 3.23Å; I39-L43 WeakPolarHBondContact O-CG 3.31Å; I39-L43 PolarHBondContact O-N 3.43Å; E40-L43 PolarHBondContact O-N 3.1Å; D41-L43 VanDerWaalsContact C-N 3.35Å; D41-L43 PolarHBondContact O-N 3.02Å; L43-K46 PolarHBondContact O-N 3.5Å; L43-T47 WeakPolarHBondContact O-CB 3.37Å; L43-T47 PolarHBondContact O-N 3.21Å; L43-T47 PolarHBondContact O-OG1 2.76Å
44A96.4Very high95.4Very high50 Ų5097.5 Ų97.541%0.41350%0.497SS..Hα-helixtrans-67.1-41.9176.100000111.4E40 D41 T47 C48E40-A44 VanDerWaalsContact O-CB 3.31Å; E40-A44 WeakPolarHBondContact O-CB 3.23Å; E40-A44 PolarHBondContact O-N 3.03Å; D41-A44 PolarHBondContact O-N 3.34Å; A44-T47 PolarHBondContact O-N 3Å; A44-C48 PolarHBondContact O-N 3.49Å; A44-C48 PolarHBondContact O-SG 2.73Å
45E96.7Very high95.9Very high143 Ų14397.5 Ų97.567%0.66850%0.499SS*.Hα-helixtrans-62.3-46.9174.2-177.2176.3168.700110.6D41 D42 T47 C48 Y49D41-E45 WeakPolarHBondContact O-CB 3.38Å; D41-E45 PolarHBondContact O-N 3.48Å; D42-E45 PolarHBondContact O-N 3.4Å; E45-T47 VanDerWaalsContact C-N 3.32Å; E45-T47 PolarHBondContact O-N 2.87Å; E45-C48 PolarHBondContact O-N 2.93Å; E45-Y49 WeakPolarHBondContact O-CB 3.48Å; E45-Y49 PolarHBondContact O-N 3.17Å
46K96.9Very high96.2Very high98 Ų9897.9 Ų97.943%0.42651%0.509SS..Hα-helixtrans-61-42.2177.9-177.454.3178.3148.40111.9D42 L43 Y49 D50D42-K46 VanDerWaalsContact O-CB 3.27Å; D42-K46 WeakPolarHBondContact O-CB 3.31Å; D42-K46 PolarHBondContact O-N 3.42Å; L43-K46 PolarHBondContact O-N 3.5Å; K46-Y49 WeakPolarHBondContact O-CB 3.35Å; K46-Y49 PolarHBondContact O-N 3.37Å; K46-D50 WeakPolarHBondContact CE-OD2 3.38Å; K46-D50 IonicContact NZ-OD1 3.91Å; K46-D50 PolarHBondContact NZ-OD1 3.35Å; K46-D50 IonicContact NZ-OD2 2.73Å; K46-D50 VanDerWaalsContact O-CG 3.32Å; K46-D50 PolarHBondContact O-N 3.05Å
47T97.4Very high96.6Very high79 Ų7997.2 Ų97.249%0.48551%0.506SS..Hα-helixtrans-62.4-45.5175.3-57.70000111.3L43 A44 E45 Y49 D50 I51L43-T47 WeakPolarHBondContact O-CB 3.37Å; L43-T47 PolarHBondContact O-N 3.21Å; L43-T47 PolarHBondContact O-OG1 2.76Å; A44-T47 PolarHBondContact O-N 3Å; E45-T47 VanDerWaalsContact C-N 3.32Å; E45-T47 PolarHBondContact O-N 2.87Å; T47-Y49 VanDerWaalsContact C-N 3.33Å; T47-Y49 PolarHBondContact O-N 3.23Å; T47-D50 PolarHBondContact O-N 2.83Å; T47-I51 HydrophobicContact CG2-CD1 4.05Å; T47-I51 VanDerWaalsContact O-CG1 3.3Å; T47-I51 WeakPolarHBondContact O-CG1 3.39Å; T47-I51 PolarHBondContact O-N 3.15Å
48C97.5Very high96.9Very high77 Ų7798.4 Ų98.452%0.5251%0.511SS..Hα-helixtrans-60.7-42.7175-68.40000111.8A44 E45 I51 V52A44-C48 PolarHBondContact O-N 3.49Å; A44-C48 PolarHBondContact O-SG 2.73Å; E45-C48 PolarHBondContact O-N 2.93Å; C48-I51 PolarHBondContact O-N 3.33Å; C48-V52 VanDerWaalsContact O-CG2 3.32Å; C48-V52 WeakPolarHBondContact O-CG2 3.31Å; C48-V52 PolarHBondContact O-N 3.32Å
49Y97.9Very high97.2Very high138 Ų13896.1 Ų96.154%0.54150%0.504SS..Hα-helixtrans-60.5-46.6176.7173.2-90.4000111.6E45 K46 T47 V52 K53E45-Y49 WeakPolarHBondContact O-CB 3.48Å; E45-Y49 PolarHBondContact O-N 3.17Å; K46-Y49 WeakPolarHBondContact O-CB 3.35Å; K46-Y49 PolarHBondContact O-N 3.37Å; T47-Y49 VanDerWaalsContact C-N 3.33Å; T47-Y49 PolarHBondContact O-N 3.23Å; Y49-V52 PolarHBondContact O-N 3.22Å; Y49-K53 HydrophobicContact CE1-CB 4.48Å; Y49-K53 HydrophobicContact CE1-CD 4.12Å; Y49-K53 VanDerWaalsContact O-CB 3.26Å; Y49-K53 WeakPolarHBondContact O-CB 3.48Å; Y49-K53 PolarHBondContact O-N 3.46Å
50D98.1Very high97.4Very high60 Ų6097 Ų9732%0.32151%0.509SS..Hα-helixtrans-64.5-41.6-179.3-69.9-23.3000111K46 T47 V52 K53 D54K46-D50 WeakPolarHBondContact CE-OD2 3.38Å; K46-D50 IonicContact NZ-OD1 3.91Å; K46-D50 PolarHBondContact NZ-OD1 3.35Å; K46-D50 IonicContact NZ-OD2 2.73Å; K46-D50 VanDerWaalsContact O-CG 3.32Å; K46-D50 PolarHBondContact O-N 3.05Å; T47-D50 PolarHBondContact O-N 2.83Å; D50-V52 PolarHBondContact O-N 3.49Å; D50-K53 PolarHBondContact O-N 2.9Å; D50-D54 WeakPolarHBondContact O-CB 3.46Å; D50-D54 VanDerWaalsContact O-CG 3.27Å; D50-D54 PolarHBondContact O-N 3.18Å
51I98.2Very high97.5Very high94 Ų9493.6 Ų93.648%0.48250%0.5SS..Hα-helixtrans-60.3-47.5174.1-67165.2000111.4T47 C48 K53 D54 I55T47-I51 HydrophobicContact CG2-CD1 4.05Å; T47-I51 VanDerWaalsContact O-CG1 3.3Å; T47-I51 WeakPolarHBondContact O-CG1 3.39Å; T47-I51 PolarHBondContact O-N 3.15Å; C48-I51 PolarHBondContact O-N 3.33Å; I51-K53 VanDerWaalsContact C-N 3.33Å; I51-K53 PolarHBondContact O-N 2.99Å; I51-D54 PolarHBondContact O-N 3.48Å; I51-I55 HydrophobicContact CG2-CD1 3.91Å; I51-I55 VanDerWaalsContact O-CG1 3.31Å; I51-I55 WeakPolarHBondContact O-CG1 3.3Å; I51-I55 PolarHBondContact O-N 3.45Å
52V98.2Very high97.6Very high88 Ų8890.6 Ų90.653%0.53349%0.491SS..Hα-helixtrans-64-42.3179.6170.80000110.7C48 Y49 D50 I55 V56C48-V52 VanDerWaalsContact O-CG2 3.32Å; C48-V52 WeakPolarHBondContact O-CG2 3.31Å; C48-V52 PolarHBondContact O-N 3.32Å; Y49-V52 PolarHBondContact O-N 3.22Å; D50-V52 PolarHBondContact O-N 3.49Å; V52-I55 PolarHBondContact O-N 3.17Å; V52-V56 HydrophobicContact CG1-CG2 4.43Å; V52-V56 WeakPolarHBondContact O-CG2 3.47Å; V52-V56 PolarHBondContact O-N 3.12Å
53K98.3Very high97.7Very high83 Ų8390.7 Ų90.736%0.36149%0.491SS..Hα-helixtrans-58.8-47.6176.8-178.9-171.4165.2-610110.7Y49 D50 I51 I55 V56 D57Y49-K53 HydrophobicContact CE1-CB 4.48Å; Y49-K53 HydrophobicContact CE1-CD 4.12Å; Y49-K53 VanDerWaalsContact O-CB 3.26Å; Y49-K53 WeakPolarHBondContact O-CB 3.48Å; Y49-K53 PolarHBondContact O-N 3.46Å; D50-K53 PolarHBondContact O-N 2.9Å; I51-K53 VanDerWaalsContact C-N 3.33Å; I51-K53 PolarHBondContact O-N 2.99Å; K53-I55 PolarHBondContact O-N 3.47Å; K53-V56 PolarHBondContact O-N 2.97Å; K53-D57 IonicContact NZ-OD2 3.55Å; K53-D57 PolarHBondContact NZ-OD2 3.15Å; K53-D57 WeakPolarHBondContact O-CB 3.27Å; K53-D57 PolarHBondContact O-N 3.41Å
54D98.2Very high97.8Very high95 Ų9592 Ų9251%0.50849%0.489SS..Hα-helixtrans-63.1-41.8-179.4-71.3-10.6000111.8D50 I51 V56 D57 E58D50-D54 WeakPolarHBondContact O-CB 3.46Å; D50-D54 VanDerWaalsContact O-CG 3.27Å; D50-D54 PolarHBondContact O-N 3.18Å; I51-D54 PolarHBondContact O-N 3.48Å; D54-V56 PolarHBondContact O-N 2.73Å; D54-D57 PolarHBondContact O-N 3.32Å; D54-E58 VanDerWaalsContact O-CB 3.29Å; D54-E58 WeakPolarHBondContact O-CB 3.44Å; D54-E58 PolarHBondContact O-N 3.41Å
55I98.2Very high97.8Very high104 Ų10494.2 Ų94.253%0.53349%0.491SS..Hα-helixtrans-61.8-43.3175.1-67.3166.5000111.4I51 V52 K53 S59I51-I55 HydrophobicContact CG2-CD1 3.91Å; I51-I55 VanDerWaalsContact O-CG1 3.31Å; I51-I55 WeakPolarHBondContact O-CG1 3.3Å; I51-I55 PolarHBondContact O-N 3.45Å; V52-I55 PolarHBondContact O-N 3.17Å; K53-I55 PolarHBondContact O-N 3.47Å; I55-S59 VanDerWaalsContact O-CB 3.23Å; I55-S59 WeakPolarHBondContact O-CB 3.49Å; I55-S59 PolarHBondContact O-N 3.36Å; I55-S59 PolarHBondContact O-OG 3.47Å
56V98.4Very high97.9Very high79 Ų7992.2 Ų92.248%0.47948%0.484SS..Hα-helixtrans-67-44.9178.9171.50000110.8V52 K53 D54 S59 L60V52-V56 HydrophobicContact CG1-CG2 4.43Å; V52-V56 WeakPolarHBondContact O-CG2 3.47Å; V52-V56 PolarHBondContact O-N 3.12Å; K53-V56 PolarHBondContact O-N 2.97Å; D54-V56 PolarHBondContact O-N 2.73Å; V56-S59 WeakPolarHBondContact CA-OG 3.32Å; V56-S59 PolarHBondContact O-OG 3.4Å; V56-L60 WeakPolarHBondContact O-CB 3.29Å; V56-L60 PolarHBondContact O-N 3.29Å
57D98.2Very high97.9Very high76 Ų7693.7 Ų93.741%0.40649%0.488SS..Hα-helixtrans-64.2-44.4179.8-74.4-19.3000111.1K53 D54 S61K53-D57 IonicContact NZ-OD2 3.55Å; K53-D57 PolarHBondContact NZ-OD2 3.15Å; K53-D57 WeakPolarHBondContact O-CB 3.27Å; K53-D57 PolarHBondContact O-N 3.41Å; D54-D57 PolarHBondContact O-N 3.32Å; D57-S61 VanDerWaalsContact O-CB 3.27Å; D57-S61 WeakPolarHBondContact O-CB 3.31Å; D57-S61 PolarHBondContact O-N 3.44Å
58E97.9Very high97.9Very high147 Ų14793 Ų9369%0.68748%0.481SS*.Hα-helixtrans-66.3-46.1177.8-173.4174.1-165.100111.7D54 L60 S61 A62D54-E58 VanDerWaalsContact O-CB 3.29Å; D54-E58 WeakPolarHBondContact O-CB 3.44Å; D54-E58 PolarHBondContact O-N 3.41Å; E58-L60 PolarHBondContact O-N 2.87Å; E58-S61 PolarHBondContact O-N 2.84Å; E58-A62 WeakPolarHBondContact O-CB 3.16Å; E58-A62 PolarHBondContact O-N 2.92Å
59S98.3Very high97.9Very high55 Ų5594.3 Ų94.339%0.38548%0.483SS..Hα-helixtrans-64.1-40.6177.861.60000112.3I55 V56 A62 I63I55-S59 VanDerWaalsContact O-CB 3.23Å; I55-S59 WeakPolarHBondContact O-CB 3.49Å; I55-S59 PolarHBondContact O-N 3.36Å; I55-S59 PolarHBondContact O-OG 3.47Å; V56-S59 WeakPolarHBondContact CA-OG 3.32Å; V56-S59 PolarHBondContact O-OG 3.4Å; S59-A62 PolarHBondContact O-N 3.04Å; S59-I63 WeakPolarHBondContact O-CB 3.49Å; S59-I63 WeakPolarHBondContact O-CD1 3.26Å; S59-I63 WeakPolarHBondContact O-CG1 3.4Å; S59-I63 PolarHBondContact O-N 3.18Å
60L98.1Very high97.8Very high109 Ų10992.9 Ų92.957%0.57148%0.484SS*.Hα-helixtrans-66.3-41176.1-175.762.5000111.5V56 E58 I63 Y64V56-L60 WeakPolarHBondContact O-CB 3.29Å; V56-L60 PolarHBondContact O-N 3.29Å; E58-L60 PolarHBondContact O-N 2.87Å; L60-I63 PolarHBondContact O-N 3.21Å; L60-Y64 VanDerWaalsContact O-CB 3.29Å; L60-Y64 WeakPolarHBondContact O-CB 3.42Å; L60-Y64 PolarHBondContact O-N 2.83Å
61S97.8Very high97.8Very high67 Ų6793.8 Ų93.847%0.46949%0.487SS..Hα-helixtrans-59.6-47.3173.8-174.20000111.2D57 E58 Y64 Q65D57-S61 VanDerWaalsContact O-CB 3.27Å; D57-S61 WeakPolarHBondContact O-CB 3.31Å; D57-S61 PolarHBondContact O-N 3.44Å; E58-S61 PolarHBondContact O-N 2.84Å; S61-Y64 PolarHBondContact O-N 3.13Å; S61-Q65 WeakPolarHBondContact O-CG 3.23Å; S61-Q65 PolarHBondContact O-N 3.44Å
62A97.7Very high97.7Very high51 Ų5194.2 Ų94.242%0.42149%0.49SS..Hα-helixtrans-62.1-45.9177.500000112.4E58 S59 Y64 Q65 I66E58-A62 WeakPolarHBondContact O-CB 3.16Å; E58-A62 PolarHBondContact O-N 2.92Å; S59-A62 PolarHBondContact O-N 3.04Å; A62-Y64 VanDerWaalsContact C-N 3.29Å; A62-Y64 PolarHBondContact O-N 3.34Å; A62-Q65 PolarHBondContact O-N 3.46Å; A62-I66 WeakPolarHBondContact O-CG1 3.33Å; A62-I66 PolarHBondContact O-N 2.99Å
63I97.7Very high97.5Very high107 Ų10795.9 Ų95.955%0.54949%0.494SS..Hα-helixtrans-61.4-40.4176.1-68.1162.8000110.6S59 L60 I66 Y67S59-I63 WeakPolarHBondContact O-CB 3.49Å; S59-I63 WeakPolarHBondContact O-CD1 3.26Å; S59-I63 WeakPolarHBondContact O-CG1 3.4Å; S59-I63 PolarHBondContact O-N 3.18Å; L60-I63 PolarHBondContact O-N 3.21Å; I63-I66 PolarHBondContact O-N 3.39Å; I63-Y67 WeakPolarHBondContact O-CB 3.41Å; I63-Y67 PolarHBondContact O-N 2.91Å
64Y97.8Very high97.5Very high131 Ų13195 Ų9551%0.51450%0.497SS..Hα-helixtrans-64.4-41.8177.9-175.1-113.9000112.1L60 S61 A62 I66 Y67 L68L60-Y64 VanDerWaalsContact O-CB 3.29Å; L60-Y64 WeakPolarHBondContact O-CB 3.42Å; L60-Y64 PolarHBondContact O-N 2.83Å; S61-Y64 PolarHBondContact O-N 3.13Å; A62-Y64 VanDerWaalsContact C-N 3.29Å; A62-Y64 PolarHBondContact O-N 3.34Å; Y64-I66 PolarHBondContact O-N 3.23Å; Y64-Y67 HydrophobicContact CD2-CD1 4.41Å; Y64-Y67 HydrophobicContact CE2-CD1 4.4Å; Y64-Y67 WeakPolarHBondContact O-CB 3.44Å; Y64-Y67 PolarHBondContact O-N 3.36Å; Y64-L68 HydrophobicContact CD1-CD1 4.01Å; Y64-L68 HydrophobicContact CD1-CG 4.38Å; Y64-L68 HydrophobicContact CE1-CD1 3.54Å; Y64-L68 HydrophobicContact CE1-CD2 4.45Å; Y64-L68 HydrophobicContact CE1-CG 4.05Å; Y64-L68 HydrophobicContact CE2-CD2 4.31Å; Y64-L68 HydrophobicContact CE2-CG 4.37Å; Y64-L68 WeakPolarHBondContact O-CG 3.22Å; Y64-L68 PolarHBondContact O-N 3.46Å
65Q97.3Very high97.5Very high98 Ų9896.1 Ų96.146%0.45850%0.498SS..Hα-helixtrans-62.8-41.8174.6-67.3-59.8-18.400112.2S61 A62 Y67 L68 N69S61-Q65 WeakPolarHBondContact O-CG 3.23Å; S61-Q65 PolarHBondContact O-N 3.44Å; A62-Q65 PolarHBondContact O-N 3.46Å; Q65-Y67 VanDerWaalsContact C-N 3.33Å; Q65-Y67 PolarHBondContact O-N 2.92Å; Q65-L68 PolarHBondContact O-N 3.32Å; Q65-N69 WeakPolarHBondContact O-CB 3.4Å; Q65-N69 PolarHBondContact O-N 3.31Å; Q65-N69 PolarHBondContact O-ND2 2.85Å
66I97.4Very high97.5Very high101 Ų10194.8 Ų94.852%0.51849%0.494SS..Hα-helixtrans-61.6-43.4174.3-66.1165.7000110.6A62 I63 Y64 N69 N70A62-I66 WeakPolarHBondContact O-CG1 3.33Å; A62-I66 PolarHBondContact O-N 2.99Å; I63-I66 PolarHBondContact O-N 3.39Å; Y64-I66 PolarHBondContact O-N 3.23Å; I66-N69 PolarHBondContact O-N 3.33Å; I66-N70 WeakPolarHBondContact O-CB 3.27Å; I66-N70 PolarHBondContact O-N 2.73Å; I66-N70 PolarHBondContact O-ND2 3.34Å
67Y97.8Very high97.5Very high128 Ų12895.4 Ų95.450%0.50250%0.498SS..Hα-helixtrans-59.4-47.7175.6171.1-97.7000111.8I63 Y64 Q65 N69 N70 Q71I63-Y67 WeakPolarHBondContact O-CB 3.41Å; I63-Y67 PolarHBondContact O-N 2.91Å; Y64-Y67 HydrophobicContact CD2-CD1 4.41Å; Y64-Y67 HydrophobicContact CE2-CD1 4.4Å; Y64-Y67 WeakPolarHBondContact O-CB 3.44Å; Y64-Y67 PolarHBondContact O-N 3.36Å; Q65-Y67 VanDerWaalsContact C-N 3.33Å; Q65-Y67 PolarHBondContact O-N 2.92Å; Y67-N69 PolarHBondContact O-N 3.24Å; Y67-N70 PolarHBondContact O-N 2.85Å; Y67-Q71 HydrophobicContact CD1-CG 4.3Å; Y67-Q71 HydrophobicContact CD2-CG 4.04Å; Y67-Q71 HydrophobicContact CE1-CG 3.87Å; Y67-Q71 HydrophobicContact CE2-CG 3.59Å; Y67-Q71 HydrophobicContact CG-CG 4.38Å; Y67-Q71 VanDerWaalsContact CZ-CG 3.5Å; Y67-Q71 WeakPolarHBondContact O-CB 2.9Å; Y67-Q71 WeakPolarHBondContact O-CG 3.46Å; Y67-Q71 PolarHBondContact O-N 3.23Å
68L97.3Very high97.4Very high65 Ų6598 Ų9834%0.3450%0.503SS..Hα-helixtrans-61-44.6178.1-71.1-178.2000112Y64 Q65 N70 Q71 L72Y64-L68 HydrophobicContact CD1-CD1 4.01Å; Y64-L68 HydrophobicContact CD1-CG 4.38Å; Y64-L68 HydrophobicContact CE1-CD1 3.54Å; Y64-L68 HydrophobicContact CE1-CD2 4.45Å; Y64-L68 HydrophobicContact CE1-CG 4.05Å; Y64-L68 HydrophobicContact CE2-CD2 4.31Å; Y64-L68 HydrophobicContact CE2-CG 4.37Å; Y64-L68 WeakPolarHBondContact O-CG 3.22Å; Y64-L68 PolarHBondContact O-N 3.46Å; Q65-L68 PolarHBondContact O-N 3.32Å; L68-N70 VanDerWaalsContact C-N 3.3Å; L68-N70 PolarHBondContact O-N 3.48Å; L68-Q71 CarbonylContact O-C 3.59Å; L68-Q71 PolarHBondContact O-N 2.84Å; L68-Q71 VanDerWaalsContact O-N 3.14Å; L68-L72 PolarHBondContact O-N 3.49Å
69N96.7Very high97.5Very high105 Ų10595 Ų9556%0.56149%0.489SS*.Hα-helixtrans-59.7-42.4176.4-74.7-32.9000111.8Q65 I66 Y67 Q71 L72Q65-N69 WeakPolarHBondContact O-CB 3.4Å; Q65-N69 PolarHBondContact O-N 3.31Å; Q65-N69 PolarHBondContact O-ND2 2.85Å; I66-N69 PolarHBondContact O-N 3.33Å; Y67-N69 PolarHBondContact O-N 3.24Å; N69-Q71 VanDerWaalsContact C-N 3.33Å; N69-Q71 PolarHBondContact O-N 2.88Å; N69-L72 PolarHBondContact O-N 2.8Å
70N96.9Very high97.4Very high107 Ų10794.7 Ų94.757%0.57249%0.49SS*.Hα-helixtrans-69.1-31177-69.7-18.1000112.7I66 Y67 L68 P74I66-N70 WeakPolarHBondContact O-CB 3.27Å; I66-N70 PolarHBondContact O-N 2.73Å; I66-N70 PolarHBondContact O-ND2 3.34Å; Y67-N70 PolarHBondContact O-N 2.85Å; L68-N70 VanDerWaalsContact C-N 3.3Å; L68-N70 PolarHBondContact O-N 3.48Å; N70-P74 WeakPolarHBondContact O-CD 3.47Å; N70-P74 WeakPolarHBondContact O-CG 3.43Å
71Q96.9Very high97.4Very high80 Ų8092.3 Ų92.337%0.37448%0.482SS..Hα-helixtrans-84.6-18.5178.7-70.5-57.8-38.600113.9Y67 L68 N69 I73 P74 F75Y67-Q71 HydrophobicContact CD1-CG 4.3Å; Y67-Q71 HydrophobicContact CD2-CG 4.04Å; Y67-Q71 HydrophobicContact CE1-CG 3.87Å; Y67-Q71 HydrophobicContact CE2-CG 3.59Å; Y67-Q71 HydrophobicContact CG-CG 4.38Å; Y67-Q71 VanDerWaalsContact CZ-CG 3.5Å; Y67-Q71 WeakPolarHBondContact O-CB 2.9Å; Y67-Q71 WeakPolarHBondContact O-CG 3.46Å; Y67-Q71 PolarHBondContact O-N 3.23Å; L68-Q71 CarbonylContact O-C 3.59Å; L68-Q71 PolarHBondContact O-N 2.84Å; L68-Q71 VanDerWaalsContact O-N 3.14Å; N69-Q71 VanDerWaalsContact C-N 3.33Å; N69-Q71 PolarHBondContact O-N 2.88Å; Q71-I73 PolarHBondContact O-N 3.46Å; Q71-P74 VanDerWaalsContact O-CD 3.26Å; Q71-P74 WeakPolarHBondContact O-CD 3.4Å; Q71-P74 WeakPolarHBondContact O-CG 3.36Å; Q71-F75 WeakPolarHBondContact O-CB 3.19Å; Q71-F75 PolarHBondContact O-N 3Å
72L96.4Very high97.4Very high103 Ų10392 Ų9254%0.53948%0.475SS..Hα-helixtrans-56.7-49.5-175.4-178.863.7000112.1L68 N69 T76L68-L72 PolarHBondContact O-N 3.49Å; N69-L72 PolarHBondContact O-N 2.8Å; L72-T76 VanDerWaalsContact O-CB 3.24Å; L72-T76 WeakPolarHBondContact O-CB 3.38Å; L72-T76 PolarHBondContact O-N 3.28Å; L72-T76 PolarHBondContact O-OG1 3.18Å
73I95.4Very high97.4Very high123 Ų12393.4 Ų93.463%0.63148%0.481SS*.Hα-helixtrans-65.6-56.2-179.9-59.2174.7000111.8Q71 F75 T76 V77Q71-I73 PolarHBondContact O-N 3.46Å; I73-F75 VanDerWaalsContact C-N 3.3Å; I73-F75 PolarHBondContact O-N 3.07Å; I73-T76 PolarHBondContact O-N 2.79Å; I73-V77 HydrophobicContact CG2-CG2 4.31Å; I73-V77 WeakPolarHBondContact O-CG2 3.42Å; I73-V77 PolarHBondContact O-N 3.01Å
74P97.7Very high97.3Very high65 Ų6593.6 Ų93.642%0.42248%0.483SS..Hα-helixtrans-62.2-37-178.623.8-34000112.4N70 Q71 Y78N70-P74 WeakPolarHBondContact O-CD 3.47Å; N70-P74 WeakPolarHBondContact O-CG 3.43Å; Q71-P74 VanDerWaalsContact O-CD 3.26Å; Q71-P74 WeakPolarHBondContact O-CD 3.4Å; Q71-P74 WeakPolarHBondContact O-CG 3.36Å; P74-Y78 VanDerWaalsContact O-CB 3.26Å; P74-Y78 WeakPolarHBondContact O-CB 3.09Å; P74-Y78 PolarHBondContact O-N 2.95Å
75F97.6Very high97.2Very high118 Ų11892.7 Ų92.752%0.51848%0.484SS..Hα-helixtrans-63.7-47173.9178.7-99000111.7Q71 I73 V77 Y78 Q79Q71-F75 WeakPolarHBondContact O-CB 3.19Å; Q71-F75 PolarHBondContact O-N 3Å; I73-F75 VanDerWaalsContact C-N 3.3Å; I73-F75 PolarHBondContact O-N 3.07Å; F75-V77 PolarHBondContact O-N 3.39Å; F75-Y78 PolarHBondContact O-N 3.4Å; F75-Q79 HydrophobicContact CD1-CG 4.1Å; F75-Q79 HydrophobicContact CD2-CG 4.38Å; F75-Q79 HydrophobicContact CE1-CG 3.67Å; F75-Q79 HydrophobicContact CE2-CG 3.98Å; F75-Q79 HydrophobicContact CG-CG 4.44Å; F75-Q79 HydrophobicContact CZ-CG 3.6Å; F75-Q79 WeakPolarHBondContact O-CG 3.29Å; F75-Q79 PolarHBondContact O-N 3.43Å
76T98.1Very high97Very high76 Ų7694 Ų9447%0.46649%0.49SS..Hα-helixtrans-63.2-42.7179.8-58.20000111.5L72 I73 Y78 Q79 A80L72-T76 VanDerWaalsContact O-CB 3.24Å; L72-T76 WeakPolarHBondContact O-CB 3.38Å; L72-T76 PolarHBondContact O-N 3.28Å; L72-T76 PolarHBondContact O-OG1 3.18Å; I73-T76 PolarHBondContact O-N 2.79Å; T76-Y78 VanDerWaalsContact C-N 3.35Å; T76-Q79 PolarHBondContact O-N 3.32Å; T76-A80 VanDerWaalsContact O-CB 3.3Å; T76-A80 WeakPolarHBondContact O-CB 3.06Å; T76-A80 PolarHBondContact O-N 2.9Å
77V98.1Very high96.9Very high91 Ų9196.2 Ų96.255%0.55249%0.493SS*.Hα-helixtrans-64-41.1176.3172.80000111.1I73 F75 A80 S81I73-V77 HydrophobicContact CG2-CG2 4.31Å; I73-V77 WeakPolarHBondContact O-CG2 3.42Å; I73-V77 PolarHBondContact O-N 3.01Å; F75-V77 PolarHBondContact O-N 3.39Å; V77-A80 PolarHBondContact O-N 2.89Å; V77-S81 WeakPolarHBondContact O-CB 3.46Å; V77-S81 PolarHBondContact O-N 3.01Å; V77-S81 PolarHBondContact O-OG 3.22Å
78Y97.8Very high96.7Very high131 Ų13194 Ų9451%0.51449%0.489SS..Hα-helixtrans-63.4-44.8175.2176.8-106000112.1P74 F75 T76 S81 L82P74-Y78 VanDerWaalsContact O-CB 3.26Å; P74-Y78 WeakPolarHBondContact O-CB 3.09Å; P74-Y78 PolarHBondContact O-N 2.95Å; F75-Y78 PolarHBondContact O-N 3.4Å; T76-Y78 VanDerWaalsContact C-N 3.35Å; Y78-S81 PolarHBondContact O-N 3.38Å; Y78-S81 PolarHBondContact O-OG 2.97Å; Y78-L82 HydrophobicContact CD1-CD1 4.06Å; Y78-L82 HydrophobicContact CE1-CD1 3.46Å; Y78-L82 VanDerWaalsContact CE1-CD1 3.46Å; Y78-L82 HydrophobicContact CE1-CG 4.25Å; Y78-L82 HydrophobicContact CE2-CD1 4.31Å; Y78-L82 HydrophobicContact CE2-CD2 4.44Å; Y78-L82 HydrophobicContact CE2-CG 4.29Å; Y78-L82 WeakPolarHBondContact O-CG 3.4Å; Y78-L82 PolarHBondContact O-N 3.24Å
79Q98Very high96.4Very high84 Ų8495.6 Ų95.639%0.39350%0.498SS..Hα-helixtrans-65-41176.2-69.9-61-29.300112F75 T76 S81 L82 C83F75-Q79 HydrophobicContact CD1-CG 4.1Å; F75-Q79 HydrophobicContact CD2-CG 4.38Å; F75-Q79 HydrophobicContact CE1-CG 3.67Å; F75-Q79 HydrophobicContact CE2-CG 3.98Å; F75-Q79 HydrophobicContact CG-CG 4.44Å; F75-Q79 HydrophobicContact CZ-CG 3.6Å; F75-Q79 WeakPolarHBondContact O-CG 3.29Å; F75-Q79 PolarHBondContact O-N 3.43Å; T76-Q79 PolarHBondContact O-N 3.32Å; Q79-S81 VanDerWaalsContact C-N 3.35Å; Q79-S81 PolarHBondContact O-N 2.92Å; Q79-L82 PolarHBondContact O-N 3.48Å; Q79-C83 WeakPolarHBondContact O-CB 3.49Å; Q79-C83 PolarHBondContact O-N 3.05Å
80A98.2Very high96.1Very high49 Ų4996 Ų9641%0.40550%0.5SS..Hα-helixtrans-62.7-40.8175.700000111.8T76 V77 C83 L84T76-A80 VanDerWaalsContact O-CB 3.3Å; T76-A80 WeakPolarHBondContact O-CB 3.06Å; T76-A80 PolarHBondContact O-N 2.9Å; V77-A80 PolarHBondContact O-N 2.89Å; A80-C83 PolarHBondContact O-N 3.29Å; A80-L84 WeakPolarHBondContact O-CB 3.42Å; A80-L84 WeakPolarHBondContact O-CG 3.47Å; A80-L84 PolarHBondContact O-N 3.42Å
81S97.8Very high95.8Very high58 Ų5897.1 Ų97.141%0.40650%0.502SS..Hα-helixtrans-68.9-38.5178.172.10000112.7V77 Y78 Q79 L84 M85V77-S81 WeakPolarHBondContact O-CB 3.46Å; V77-S81 PolarHBondContact O-N 3.01Å; V77-S81 PolarHBondContact O-OG 3.22Å; Y78-S81 PolarHBondContact O-N 3.38Å; Y78-S81 PolarHBondContact O-OG 2.97Å; Q79-S81 VanDerWaalsContact C-N 3.35Å; Q79-S81 PolarHBondContact O-N 2.92Å; S81-L84 PolarHBondContact O-N 3.38Å; S81-M85 PolarHBondContact O-N 3.27Å
82L97.3Very high95.3Very high60 Ų60100.7 Ų100.731%0.31452%0.516SS..Hα-helixtrans-62.5-43.9171.8-71.9-178.7000111.9Y78 Q79 M85 Q86Y78-L82 HydrophobicContact CD1-CD1 4.06Å; Y78-L82 HydrophobicContact CE1-CD1 3.46Å; Y78-L82 VanDerWaalsContact CE1-CD1 3.46Å; Y78-L82 HydrophobicContact CE1-CG 4.25Å; Y78-L82 HydrophobicContact CE2-CD1 4.31Å; Y78-L82 HydrophobicContact CE2-CD2 4.44Å; Y78-L82 HydrophobicContact CE2-CG 4.29Å; Y78-L82 WeakPolarHBondContact O-CG 3.4Å; Y78-L82 PolarHBondContact O-N 3.24Å; Q79-L82 PolarHBondContact O-N 3.48Å; L82-M85 PolarHBondContact O-N 3.03Å; L82-Q86 WeakPolarHBondContact O-CG 3.37Å; L82-Q86 PolarHBondContact O-N 3.41Å
83C96.8Very high94.8Very high82 Ų82101.9 Ų101.955%0.55452%0.52SS*.Hα-helixtrans-62.7-44177.5-177.30000111.5Q79 A80 M85 Q86 Y87Q79-C83 WeakPolarHBondContact O-CB 3.49Å; Q79-C83 PolarHBondContact O-N 3.05Å; A80-C83 PolarHBondContact O-N 3.29Å; C83-M85 VanDerWaalsContact C-N 3.33Å; C83-M85 PolarHBondContact O-N 3.41Å; C83-Q86 PolarHBondContact O-N 3.15Å; C83-Y87 PolarHBondContact O-N 3.48Å
84L96.9Very high94.1Very high111 Ų111101.6 Ų101.658%0.58153%0.529SS*.Hα-helixtrans-61.3-41.1174.4-76.1169.6000112.1A80 S81 Y87 I88A80-L84 WeakPolarHBondContact O-CB 3.42Å; A80-L84 WeakPolarHBondContact O-CG 3.47Å; A80-L84 PolarHBondContact O-N 3.42Å; S81-L84 PolarHBondContact O-N 3.38Å; L84-Y87 PolarHBondContact O-N 3.27Å; L84-I88 VanDerWaalsContact O-CG1 3.26Å; L84-I88 WeakPolarHBondContact O-CG1 3.42Å; L84-I88 PolarHBondContact O-N 2.92Å
85M95.3Very high93.4Very high111 Ų111103.5 Ų103.555%0.54754%0.543SS..Hα-helixtrans-61.5-47176.2-16471.167.300111.3S81 L82 C83 Y87 I88 D89S81-M85 PolarHBondContact O-N 3.27Å; L82-M85 PolarHBondContact O-N 3.03Å; C83-M85 VanDerWaalsContact C-N 3.33Å; C83-M85 PolarHBondContact O-N 3.41Å; M85-Y87 VanDerWaalsContact C-N 3.29Å; M85-Y87 PolarHBondContact O-N 3.21Å; M85-I88 PolarHBondContact O-N 3.38Å; M85-D89 PolarHBondContact O-N 3.25Å
86Q93.8Very high92.7Very high125 Ų125104.5 Ų104.558%0.58455%0.554SS**Hα-helixtrans-60.3-40.3176-70.617333.500111.8L82 C83 D89 L90L82-Q86 WeakPolarHBondContact O-CG 3.37Å; L82-Q86 PolarHBondContact O-N 3.41Å; C83-Q86 PolarHBondContact O-N 3.15Å; Q86-D89 PolarHBondContact O-N 2.92Å; Q86-L90 VanDerWaalsContact O-CG 3.28Å; Q86-L90 WeakPolarHBondContact O-CG 3.43Å; Q86-L90 PolarHBondContact O-N 3.44Å
87Y94.2Very high92.1Very high148 Ų148109.3 Ų109.358%0.5857%0.571SS**Hα-helixtrans-64.1-42176.5-173.9-90.7000112C83 L84 M85 L90 E91C83-Y87 PolarHBondContact O-N 3.48Å; L84-Y87 PolarHBondContact O-N 3.27Å; M85-Y87 VanDerWaalsContact C-N 3.29Å; M85-Y87 PolarHBondContact O-N 3.21Å; Y87-L90 PolarHBondContact O-N 2.88Å; Y87-E91 PolarHBondContact O-N 3.48Å
88I94.2Very high91.4Very high81 Ų81106.6 Ų106.642%0.41556%0.561SS.*Hα-helixtrans-62.1-45.3174.1-69.5166.5000110.1L84 M85 L90 E91 F92L84-I88 VanDerWaalsContact O-CG1 3.26Å; L84-I88 WeakPolarHBondContact O-CG1 3.42Å; L84-I88 PolarHBondContact O-N 2.92Å; M85-I88 PolarHBondContact O-N 3.38Å; I88-L90 PolarHBondContact O-N 3.25Å; I88-E91 PolarHBondContact O-N 3.4Å; I88-F92 HydrophobicContact CG2-CD2 3.75Å; I88-F92 HydrophobicContact CG2-CE2 4.18Å; I88-F92 VanDerWaalsContact O-CD2 3.27Å; I88-F92 WeakPolarHBondContact O-CD2 3.48Å; I88-F92 PolarHBondContact O-N 3.15Å
89D90.8Very high90.8Very high99 Ų99105.5 Ų105.553%0.52956%0.561SS.*Hα-helixtrans-61.2-33.6177.4-70.4-23.5000112.1M85 Q86 F92 M93M85-D89 PolarHBondContact O-N 3.25Å; Q86-D89 PolarHBondContact O-N 2.92Å; D89-F92 CarbonylContact O-C 3.49Å; D89-M93 WeakPolarHBondContact O-CA 3.18Å; D89-M93 WeakPolarHBondContact O-CG 3.33Å; D89-M93 PolarHBondContact O-N 2.94Å
90L90.5Very high90.1Very high115 Ų115106.3 Ų106.360%0.60257%0.573SS**Hα-helixtrans-72.4-43.5174.9-71.8173.6000112.9Q86 Y87 I88 F92 M93Q86-L90 VanDerWaalsContact O-CG 3.28Å; Q86-L90 WeakPolarHBondContact O-CG 3.43Å; Q86-L90 PolarHBondContact O-N 3.44Å; Y87-L90 PolarHBondContact O-N 2.88Å; I88-L90 PolarHBondContact O-N 3.25Å; L90-F92 VanDerWaalsContact C-N 3.33Å; L90-M93 HydrophobicContact CD2-SD 3.71Å; L90-M93 VanDerWaalsContact O-CG 3.27Å; L90-M93 WeakPolarHBondContact O-CG 3.47Å; L90-M93 PolarHBondContact O-N 2.97Å
91E90Very high89.3Confident130 Ų130109.1 Ų109.161%0.60758%0.581SS**Hα-helixtrans-67.3-36177.9-173.366.9-159.600111.5Y87 I88Y87-E91 PolarHBondContact O-N 3.48Å; I88-E91 PolarHBondContact O-N 3.4Å
92F87.2Confident88.6Confident155 Ų155110.1 Ų110.168%0.6858%0.581SS**THydrogen-bonded Turntrans-104.929.8178.9-60.4-76.6000112.8I88 D89 L90 S94I88-F92 HydrophobicContact CG2-CD2 3.75Å; I88-F92 HydrophobicContact CG2-CE2 4.18Å; I88-F92 VanDerWaalsContact O-CD2 3.27Å; I88-F92 WeakPolarHBondContact O-CD2 3.48Å; I88-F92 PolarHBondContact O-N 3.15Å; D89-F92 CarbonylContact O-C 3.49Å; L90-F92 VanDerWaalsContact C-N 3.33Å; F92-S94 PolarHBondContact O-N 3.33Å
93M84.8Confident87.9Confident128 Ų128114 Ų11463%0.63160%0.602SS**PPolyproline II helixtrans-53.2120.7173.2-76.9177.674.800109D89 L90 C95D89-M93 WeakPolarHBondContact O-CA 3.18Å; D89-M93 WeakPolarHBondContact O-CG 3.33Å; D89-M93 PolarHBondContact O-N 2.94Å; L90-M93 HydrophobicContact CD2-SD 3.71Å; L90-M93 VanDerWaalsContact O-CG 3.27Å; L90-M93 WeakPolarHBondContact O-CG 3.47Å; L90-M93 PolarHBondContact O-N 2.97Å; M93-C95 PolarHBondContact O-N 2.89Å
94S81.7Confident87.4Confident116 Ų116116.6 Ų116.681%0.81161%0.61SS**PPolyproline II helixtrans-61.7125.9174.1-65.30000107.8F92 D96F92-S94 PolarHBondContact O-N 3.33Å; S94-D96 PolarHBondContact O-N 3.48Å
95C81.8Confident86.7Confident105 Ų105113.8 Ų113.871%0.70960%0.595SS**PPolyproline II helixtrans-56.9126.3169.3-68.30000107.5M93 Q97M93-C95 PolarHBondContact O-N 2.89Å; C95-Q97 PolarHBondContact O-N 3.22Å; C95-Q97 PolarHBondContact O-NE2 3.2Å
96D84.2Confident86.1Confident139 Ų139113 Ų11374%0.74360%0.599SS**PPolyproline II helixtrans-53.5128.4169.1-176.711.1000107.9S94 G98S94-D96 PolarHBondContact O-N 3.48Å; D96-G98 PolarHBondContact O-N 2.89Å; D96-G98 VanDerWaalsContact O-N 3.15Å; D96-G98 PolarHBondContact OD1-N 3.49Å; D96-G98 VanDerWaalsContact OD1-N 3.12Å
97Q84.3Confident85.7Confident178 Ų178115 Ų11583%0.83261%0.608SS**  trans-69.6-7.1178.6-62.4-57.1-65.300111.4C95C95-Q97 PolarHBondContact O-N 3.22Å; C95-Q97 PolarHBondContact O-NE2 3.2Å
98G84.1Confident85.4Confident33 Ų33114.6 Ų114.634%0.3461%0.606SS.*  trans71.4170.6-172.200000110.8D96D96-G98 PolarHBondContact O-N 2.89Å; D96-G98 VanDerWaalsContact O-N 3.15Å; D96-G98 PolarHBondContact OD1-N 3.49Å; D96-G98 VanDerWaalsContact OD1-N 3.12Å
99E84.6Confident85.1Confident109 Ų109116 Ų11651%0.50961%0.609SS.*  trans-75.5125.1176.7-69.3-62.9162.700110.3N101 I102 W108E99-N101 PolarHBondContact O-N 3.34Å; E99-I102 HydrophobicContact CB-CG1 4.47Å; E99-I102 WeakPolarHBondContact O-CG1 3.44Å; E99-W108 HydrophobicContact CB-CZ2 4.29Å; E99-W108 HydrophobicContact CG-CZ2 3.51Å
100P83.2Confident84.9Confident100 Ų100120.5 Ų120.565%0.64963%0.627SS**THydrogen-bonded Turntrans-64.8137172.827.9-32.9000109.1
101N82.3Confident84.9Confident109 Ų109122.2 Ų122.258%0.58364%0.637SS**THydrogen-bonded Turntrans66.143.7177.8-44.8-61.1000115.4E99 N103 L104 N105E99-N101 PolarHBondContact O-N 3.34Å; N101-N103 PolarHBondContact O-N 2.91Å; N101-L104 HydrophobicContact CB-CB 3.97Å; N101-L104 HydrophobicContact CB-CD1 3.85Å; N101-L104 HydrophobicContact CB-CG 4.17Å; N101-L104 PolarHBondContact O-N 3.4Å; N101-N105 PolarHBondContact O-N 3.02Å
102I83.8Confident84.9Confident78 Ų78125.1 Ų125.140%0.465%0.65SS.*G310 helixtrans-44.5-40.2169.6-51.3-176.7000111.6E99 L104 N105 W108E99-I102 HydrophobicContact CB-CG1 4.47Å; E99-I102 WeakPolarHBondContact O-CG1 3.44Å; I102-L104 VanDerWaalsContact C-N 3.27Å; I102-L104 PolarHBondContact O-N 2.98Å; I102-N105 PolarHBondContact O-N 3.34Å; I102-W108 HydrophobicContact CB-CB 4.49Å; I102-W108 HydrophobicContact CG2-CB 3.41Å; I102-W108 VanDerWaalsContact CG2-CB 3.41Å; I102-W108 HydrophobicContact CG2-CD2 4.35Å; I102-W108 HydrophobicContact CG2-CG 3.88Å
103N82.3Confident85Confident142 Ų142125.5 Ų125.576%0.75966%0.658SS**G310 helixtrans-70.4-12.9178.9-55.6-63.4000115.3N101 F109N101-N103 PolarHBondContact O-N 2.91Å; N103-F109 VanDerWaalsContact O-CE1 3.27Å; N103-F109 WeakPolarHBondContact O-CE1 3.36Å; N103-F109 VanDerWaalsContact O-CZ 3.28Å; N103-F109 WeakPolarHBondContact O-CZ 3.08Å
104L84.7Confident85.2Confident136 Ų136123.9 Ų123.971%0.71267%0.665SS**G310 helixtrans-102.4-15.5176.9-69.8173.9000112.3N101 I102 P106N101-L104 HydrophobicContact CB-CB 3.97Å; N101-L104 HydrophobicContact CB-CD1 3.85Å; N101-L104 HydrophobicContact CB-CG 4.17Å; N101-L104 PolarHBondContact O-N 3.4Å; I102-L104 VanDerWaalsContact C-N 3.27Å; I102-L104 PolarHBondContact O-N 2.98Å; L104-P106 WeakPolarHBondContact O-CD 3.38Å
105N83.3Confident85.6Confident52 Ų52127.1 Ų127.128%0.27867%0.668SS.*  trans-96.9110.3177.9-173.2-2.8000109.9N101 I102 E107 W108 F109N101-N105 PolarHBondContact O-N 3.02Å; I102-N105 PolarHBondContact O-N 3.34Å; N105-E107 PolarHBondContact ND2-OE2 2.85Å; N105-E107 PolarHBondContact O-N 2.83Å; N105-E107 VanDerWaalsContact O-N 3.11Å; N105-E107 WeakPolarHBondContact OD1-CB 3.48Å; N105-E107 PolarHBondContact OD1-N 2.7Å; N105-E107 VanDerWaalsContact OD1-N 3.08Å; N105-W108 PolarHBondContact O-N 3.36Å; N105-F109 WeakPolarHBondContact O-CD1 3.14Å
106P83.3Confident85.7Confident95 Ų95127.3 Ų127.362%0.61767%0.67SS**G310 helixtrans-57.8-23.9178.1-21.833000114L104 W108 F109L104-P106 WeakPolarHBondContact O-CD 3.38Å; P106-W108 PolarHBondContact O-N 3.11Å; P106-F109 HydrophobicContact CB-CD2 4.45Å; P106-F109 WeakPolarHBondContact O-CB 3.37Å; P106-F109 PolarHBondContact O-N 3.5Å
107E84.8Confident85.9Confident167 Ų167126.1 Ų126.178%0.7867%0.673SS**G310 helixtrans-65.8-21.4177.6-65.4175.8165.600113.2N105N105-E107 PolarHBondContact ND2-OE2 2.85Å; N105-E107 PolarHBondContact O-N 2.83Å; N105-E107 VanDerWaalsContact O-N 3.11Å; N105-E107 WeakPolarHBondContact OD1-CB 3.48Å; N105-E107 PolarHBondContact OD1-N 2.7Å; N105-E107 VanDerWaalsContact OD1-N 3.08Å
108W88.7Confident86Confident139 Ų139129 Ų12953%0.52768%0.676SS.*G310 helixtrans-99.33.2176.9-70.393.2000113.3E99 I102 N105 P106E99-W108 HydrophobicContact CB-CZ2 4.29Å; E99-W108 HydrophobicContact CG-CZ2 3.51Å; I102-W108 HydrophobicContact CB-CB 4.49Å; I102-W108 HydrophobicContact CG2-CB 3.41Å; I102-W108 VanDerWaalsContact CG2-CB 3.41Å; I102-W108 HydrophobicContact CG2-CD2 4.35Å; I102-W108 HydrophobicContact CG2-CG 3.88Å; N105-W108 PolarHBondContact O-N 3.36Å; P106-W108 PolarHBondContact O-N 3.11Å
109F87.1Confident86Confident110 Ų110132.7 Ų132.748%0.48269%0.687SS.*SBendtrans-70.7148.4176.3-70.40.8000109.9N103 N105 P106 D111N103-F109 VanDerWaalsContact O-CE1 3.27Å; N103-F109 WeakPolarHBondContact O-CE1 3.36Å; N103-F109 VanDerWaalsContact O-CZ 3.28Å; N103-F109 WeakPolarHBondContact O-CZ 3.08Å; N105-F109 WeakPolarHBondContact O-CD1 3.14Å; P106-F109 HydrophobicContact CB-CD2 4.45Å; P106-F109 WeakPolarHBondContact O-CB 3.37Å; P106-F109 PolarHBondContact O-N 3.5Å; F109-D111 PolarHBondContact O-N 3.39Å
110E87.1Confident86.2Confident194 Ų194132.6 Ų132.691%0.90769%0.69SS**PPolyproline II helixtrans-60.6123.6171.9-66.1-179.4-172.200108.5
111D89.3Confident86.4Confident152 Ų152133 Ų13381%0.81370%0.695SS**PPolyproline II helixtrans-56.6143.5173.1-70.6-27.7000110.1F109 L113F109-D111 PolarHBondContact O-N 3.39Å; D111-L113 PolarHBondContact O-N 3.47Å
112E89.5Confident86.6Confident190 Ų190139 Ų13989%0.88871%0.71SS**PPolyproline II helixtrans-59.9127.5173.3-172.5177.7-173.300109.3A114E112-A114 PolarHBondContact O-N 3.23Å
113L89.7Confident86.6Confident163 Ų163137.7 Ų137.785%0.85371%0.71SS**PPolyproline II helixtrans-56.9126.8178.2-68.2176.2000109.7D111 E115D111-L113 PolarHBondContact O-N 3.47Å; L113-E115 PolarHBondContact O-N 3.44Å
114A89.9Confident86.4Confident94 Ų94140.3 Ų140.378%0.77772%0.718SS**PPolyproline II helixtrans-56.2136.9175.100000110.8E112 S116E112-A114 PolarHBondContact O-N 3.23Å; A114-S116 PolarHBondContact O-N 3.21Å
115E88.7Confident86.3Confident185 Ų185137 Ų13786%0.86472%0.716SS**PPolyproline II helixtrans-60.2134.7176.1-170.1166.3-163.500109.8L113 S117L113-E115 PolarHBondContact O-N 3.44Å; E115-S117 PolarHBondContact O-N 3.18Å; E115-S117 VanDerWaalsContact O-N 3.16Å
116S85.7Confident86.2Confident109 Ų109137 Ų13776%0.76272%0.724SS**PPolyproline II helixtrans-59.6123.7-179.857.60000109.7A114A114-S116 PolarHBondContact O-N 3.21Å
117S86.6Confident85.9Confident114 Ų114140 Ų14080%0.79773%0.733SS**PPolyproline II helixtrans-57.7144.7176.5-49.80000110.9E115 I119E115-S117 PolarHBondContact O-N 3.18Å; E115-S117 VanDerWaalsContact O-N 3.16Å; S117-I119 PolarHBondContact O-N 3.47Å
118R86.7Confident85.5Confident238 Ų238136.8 Ų136.890%0.89873%0.729SS**PPolyproline II helixtrans-56.3136.4172-178.9177.7175.6173.3-0.1109D120R118-D120 PolarHBondContact O-N 3.34Å; R118-D120 VanDerWaalsContact O-N 3.09Å
119I85.7Confident85Confident110 Ų110138.8 Ų138.856%0.56474%0.742SS**  trans-58.5114.7172.5-62.5163.2000108S117 A123 A126S117-I119 PolarHBondContact O-N 3.47Å; I119-A123 HydrophobicContact CG2-CB 3.54Å; I119-A126 HydrophobicContact CB-CB 4.45Å; I119-A126 HydrophobicContact CD1-CB 3.67Å; I119-A126 HydrophobicContact CG1-CB 4.06Å; I119-A126 HydrophobicContact CG2-CB 3.52Å
120D88.1Confident84.3Confident107 Ų107138.6 Ų138.657%0.57275%0.75SS**  trans-79.7165.2178.5-16916.9000111.3R118 W122 A123R118-D120 PolarHBondContact O-N 3.34Å; R118-D120 VanDerWaalsContact O-N 3.09Å; D120-W122 PolarHBondContact O-N 2.65Å; D120-A123 WeakPolarHBondContact O-CB 3.26Å; D120-A123 PolarHBondContact O-N 3.45Å
121S87.3Confident83.6Confident110 Ų110139.1 Ų139.177%0.76975%0.745SS**THydrogen-bonded Turntrans-61.1-14.2-179.9-52.50000113.4
122W85.5Confident82.5Confident235 Ų235141.8 Ų141.889%0.8975%0.745SS**THydrogen-bonded Turntrans-85.2-13.4174.7-70.212.9000113.7D120 Q124D120-W122 PolarHBondContact O-N 2.65Å; W122-Q124 PolarHBondContact O-N 3.41Å
123A85.6Confident81Confident49 Ų49136.9 Ų136.941%0.40574%0.736SS.*  trans-84.856.9179.200000111.4I119 D120 G125 A126I119-A123 HydrophobicContact CG2-CB 3.54Å; D120-A123 WeakPolarHBondContact O-CB 3.26Å; D120-A123 PolarHBondContact O-N 3.45Å; A123-G125 PolarHBondContact O-N 3.06Å; A123-A126 HydrophobicContact CB-CB 4.42Å; A123-A126 PolarHBondContact O-N 2.96Å; A123-A126 VanDerWaalsContact O-N 3.13Å
124Q76.3Confident79.2Confident198 Ų198138.7 Ų138.793%0.92574%0.737SS**THydrogen-bonded Turntrans-71.177.9179.1-160164.47.100109.8W122W122-Q124 PolarHBondContact O-N 3.41Å
125G82.8Confident77.5Confident65 Ų65141.8 Ų141.867%0.6774%0.739SS**THydrogen-bonded Turntrans150.61.6-172.200000114.4A123 I127A123-G125 PolarHBondContact O-N 3.06Å; G125-I127 PolarHBondContact O-N 2.92Å
126A81.3Confident75.8Confident53 Ų53137.5 Ų137.544%0.43873%0.73SS.*PPolyproline II helixtrans-64.2118.5174.100000110.9I119 A123I119-A126 HydrophobicContact CB-CB 4.45Å; I119-A126 HydrophobicContact CD1-CB 3.67Å; I119-A126 HydrophobicContact CG1-CB 4.06Å; I119-A126 HydrophobicContact CG2-CB 3.52Å; A123-A126 HydrophobicContact CB-CB 4.42Å; A123-A126 PolarHBondContact O-N 2.96Å; A123-A126 VanDerWaalsContact O-N 3.13Å
127I76.9Confident73.9Confident158 Ų158140.4 Ų140.481%0.8174%0.737SS**PPolyproline II helixtrans-96.1124.9178.4-54.6173.3000108G125 K129G125-I127 PolarHBondContact O-N 2.92Å; I127-K129 PolarHBondContact O-N 3.39Å
128S76.8Confident71.6Confident100 Ų100140 Ų14070%0.69973%0.734SS**PPolyproline II helixtrans-61.4132.1173-560000110.1T130S128-T130 PolarHBondContact O-N 2.66Å
129K78.5Confident69.6Low181 Ų181137.6 Ų137.679%0.78773%0.733SS**  trans-65.4103.3174-64.8178.4-177.3176.10108.9I127 Y131I127-K129 PolarHBondContact O-N 3.39Å; K129-Y131 PolarHBondContact O-N 3.36Å
130T71.7Confident67.4Low106 Ų106142 Ų14265%0.6575%0.748SS**  trans-78.5114.9167.347.30000108.7S128 Y132S128-T130 PolarHBondContact O-N 2.66Å; T130-Y132 PolarHBondContact O-N 2.91Å
131Y73.9Confident64.8Low205 Ų205142.2 Ų142.280%0.80476%0.755SS**  trans-73.5119.3167.1-61.3-86.3000108K129 A133K129-Y131 PolarHBondContact O-N 3.36Å; Y131-A133 PolarHBondContact O-N 3.14Å
132Y65.1Low62.6Low208 Ų208145.3 Ų145.382%0.81676%0.757SS**  trans-65.9105.6162.5-54.5-78.5000106.7T130 K134T130-Y132 PolarHBondContact O-N 2.91Å; Y132-K134 PolarHBondContact O-N 3.4Å; Y132-K134 VanDerWaalsContact O-N 3.14Å
133A57.3Low60.3Low86 Ų86144.2 Ų144.271%0.71176%0.759SS**  trans-58119.9162.900000106.1Y131 I135Y131-A133 PolarHBondContact O-N 3.14Å; A133-I135 PolarHBondContact O-N 2.88Å
134K53.6Low57.8Low201 Ų201148.5 Ų148.587%0.87478%0.775SS**  trans-53.1114170.7-70.3-172178.2-1760106.6Y132 S136Y132-K134 PolarHBondContact O-N 3.4Å; Y132-K134 VanDerWaalsContact O-N 3.14Å; K134-S136 VanDerWaalsContact C-N 3.32Å; K134-S136 PolarHBondContact O-N 2.88Å
135I53.8Low56Low159 Ų159146.9 Ų146.982%0.81577%0.767SS**  trans-62.1103.3168.4-64.3167.1000104.1A133 D137A133-I135 PolarHBondContact O-N 2.88Å; I135-D137 PolarHBondContact O-N 3.24Å
136S53.2Low54Low95 Ų95152.3 Ų152.366%0.66478%0.775SS**  trans-61.3127.3166.945.40000107.5K134 S138K134-S136 VanDerWaalsContact C-N 3.32Å; K134-S136 PolarHBondContact O-N 2.88Å; S136-S138 PolarHBondContact O-N 3.48Å
137D44.8Very low51.9Low171 Ų171156.3 Ų156.391%0.91479%0.794SS**  trans-48.1104173.1-65.5-43.7000110.3I135I135-D137 PolarHBondContact O-N 3.24Å
138S38.3Very low49.9Very low105 Ų105156.4 Ų156.473%0.73480%0.795SS**  trans-113.892.9170.168.10000108.7S136S136-S138 PolarHBondContact O-N 3.48Å
139E45Very low48.1Very low187 Ų187156.5 Ų156.587%0.87479%0.793SS**  trans-141.199.8154.7-81.4-165.1159.200108.2
140K39.1Very low45.9Very low204 Ų204156.9 Ų156.989%0.88780%0.795SS**  -154.2139.4109.4-68.4-153178.7170.60109.5
141P35Very low44.1Very low111 Ų111159 Ų15972%0.72180%0.801SS**  trans-95.7166.1-164.539-36.1000113.6
142Q39.2Very low42.3Very low175 Ų175156.8 Ų156.882%0.81880%0.798SS**  trans73.7104.6154.5-72.2176.4-9.900119.3
143K38Very low40.5Very low212 Ų212152.5 Ų152.592%0.92279%0.794SS**  -159.8134110.7-100.9166.9-172.8-178.60110.5
144N32.5Very low39.3Very low138 Ų138152.1 Ų152.174%0.73879%0.786SS**  trans-72.2149.1-167.6-67.1-47.5000114.6
145H39.8Very low38.3Very low165 Ų165150.9 Ų150.976%0.76478%0.781SS**  157.3103.1126.7-75.7-26.4000108.6
146Q40.3Very low37.2Very low178 Ų178149.4 Ų149.483%0.83277%0.774SS**  52.3115.498.7-74.8-172.629.500111.1
147V36.8Very low36.5Very low138 Ų138151.8 Ų151.884%0.83677%0.774SS**  cis-163155.843.3170.10000109.9
148L36.1Very low36Very low160 Ų160151.3 Ų151.384%0.83876%0.764SS**  trans-66.9-178.9-174.3-126.583.9000116.2
149P38.1Very low35.7Very low101 Ų101152.3 Ų152.366%0.65676%0.761SS**  -128-171.8-124.636.2-11.6000113.2
150K31.7Very low35.2Very low189 Ų189151.1 Ų151.182%0.82276%0.755SS**  trans170.6152.7139-101169.1-178.71780113.4
151L35Very low35.1Very low150 Ų150148.2 Ų148.279%0.78575%0.749SS**  trans87.3101.8161.8-58134000115
152Q34.8Very low35.1Very low159 Ų159148.9 Ų148.974%0.74375%0.751SS**  80.4117.463.4-164.6169-14.700112.3
153T28Very low35Very low118 Ų118145.9 Ų145.972%0.72475%0.75SS**  trans63.3129.3155.1500000116.2
154S32Very low34.8Very low79 Ų79144 Ų14455%0.55274%0.744SS**  cis164170.940.9340000109.5
155F33.3Very low35Very low174 Ų174145.4 Ų145.476%0.76375%0.752SS**  trans79.5107.1157.2-55-60000117.2
156I30.6Very low34.8Very low129 Ų129146.6 Ų146.666%0.66276%0.755SS**  72.5112.380.5-69.4-179.5000112.4
157H37.5Very low34.6Very low145 Ų145143.2 Ų143.267%0.67176%0.757SS**  151.1132.8116.5-102.3-33.8000114
158K34.9Very low34.6Very low160 Ų160143 Ų14370%0.69675%0.75SS**  trans64.9150.1136.4-63.9168.7-176.1179.30117.4
159N32.4Very low34.6Very low126 Ų126146.8 Ų146.867%0.67475%0.753SS**  cis-179.7153.5-19.8-102.36000102.5
160E33.6Very low34.4Very low162 Ų162149.7 Ų149.776%0.75776%0.755SS**  trans53.5114.5148.1-72.4163.9147.200119.9
161D37.7Very low34.5Very low143 Ų143149.2 Ų149.277%0.76576%0.756SS**  177.4126100.4-91.7-27.9000113.2
162V35.6Very low34.5Very low125 Ų125148.9 Ų148.976%0.75875%0.75SS**  trans40.5118.1130.1-170.70000119.4
163S37.1Very low34.4Very low113 Ų113148.1 Ų148.179%0.7976%0.757SS**  177.7155.5105.466.20000113.1
164E32.2Very low34.5Very low171 Ų171147.7 Ų147.780%0.79975%0.754SS**  trans-67.2156.4-163.8-57.2162.5136.200114.5
165N38.2Very low34.5Very low169 Ų169150.5 Ų150.590%0.90476%0.763SS**  -167.5128123-90.4-40000113.3
166K34.7Very low34.5Very low190 Ų190150.7 Ų150.783%0.82676%0.763SS**  trans-58.7143.3175.6-80.8162.5168.8161.90113.4
167A36.1Very low34.4Very low106 Ų106154.2 Ų154.288%0.87677%0.774SS**  trans-146.9115.6140.600000110.6
168I36.3Very low34.2Very low134 Ų134155.9 Ų155.969%0.68778%0.782SS**  trans-82.2134.8-178.3-70159.5000109.2K170I168-K170 HydrophobicContact CG2-CG 4.25Å
169R36.2Very low33.9Very low239 Ų239153 Ų15390%0.90278%0.782SS**  trans-139100.2149.6-147.5173.6-175.4171.50.4108.9
170K35Very low33.8Very low162 Ų162156.2 Ų156.270%0.70479%0.793SS**  trans-84.2130.3166.9-72.9-179.3174.9-175.60107.8I168I168-K170 HydrophobicContact CG2-CG 4.25Å
171E33.6Very low33.7Very low180 Ų180156.7 Ų156.784%0.84179%0.792SS**  trans-118.9112.5146.9-77.6-168.6173.900107.8
172H33.8Very low33.4Very low143 Ų143155.8 Ų155.866%0.66279%0.794SS**  trans-87.7129.9164.9-102.9-96.5000107.2
173T34.7Very low33.1Very low143 Ų143158.2 Ų158.288%0.87780%0.797SS**  trans-139.999.3144140000108
174T28.7Very low32.8Very low108 Ų108161.7 Ų161.766%0.66380%0.801SS**  trans-58.2131.8158.939.60000109.9
175D31.9Very low32.6Very low138 Ų138160.2 Ų160.274%0.73880%0.797SS**  -165.8127120.2-108.3-25.4000114.5
176K34.9Very low32Very low179 Ų179156.6 Ų156.678%0.77879%0.785SS**  trans60.694.4149.2-74.5170.5179.5170.40120.6
177F27.6Very low31.9Very low202 Ų202154.6 Ų154.689%0.88678%0.781SS**  trans-45129.4140-74.7-97.6000112.8
178H33.2Very low31.7Very low181 Ų181156.9 Ų156.984%0.83877%0.774SS**  trans-140113.1139.5-99.3-68.7000108.2
179S28.5Very low31.3Very low100 Ų100160.6 Ų160.670%0.69979%0.785SS**  trans-80122.5169.769.80000108.7
180E31.6Very low31Very low192 Ų192158 Ų15890%0.89778%0.78SS**  trans-110.3116.6163.2-78.3-170.1160.100109.4
181K31Very low30.9Very low172 Ų172160.2 Ų160.275%0.74879%0.79SS**  trans-66.9146.9-175.7-63.1169.4176.8176.20110.9H183K181-H183 PolarHBondContact O-N 3.15Å
182P31Very low30.8Very low124 Ų124156.8 Ų156.881%0.80578%0.783SS**  trans-69121.3162.630.5-29.2000107.9Q184P182-Q184 PolarHBondContact O-N 3.49Å
183H30.2Very low30.6Very low177 Ų177159.8 Ų159.882%0.81980%0.795SS**  trans-64.7102.2174.9-9948000109.9K181 I185K181-H183 PolarHBondContact O-N 3.15Å; H183-I185 PolarHBondContact O-N 2.81Å
184Q28.9Very low30.4Very low186 Ų186162.7 Ų162.787%0.86980%0.795SS**  trans-73.398.5166.5-172.2175.534.200108.8P182 S186P182-Q184 PolarHBondContact O-N 3.49Å; Q184-S186 PolarHBondContact O-N 3.27Å; Q184-S186 VanDerWaalsContact O-N 3.11Å
185I28.7Very low30.3Very low140 Ų140165.7 Ų165.772%0.71881%0.806SS**  trans-79.494.3171-61.4174.2000108H183 I187H183-I185 PolarHBondContact O-N 2.81Å; I185-I187 HydrophobicContact CG2-CD1 4.25Å; I185-I187 HydrophobicContact CG2-CG1 3.86Å; I185-I187 PolarHBondContact O-N 3.36Å
186S26.3Very low30.2Very low92 Ų92167.7 Ų167.764%0.64381%0.808SS**  trans-79.5105.2168.9-179.90000109.5Q184Q184-S186 PolarHBondContact O-N 3.27Å; Q184-S186 VanDerWaalsContact O-N 3.11Å
187I31.3Very low30Very low148 Ų148165.6 Ų165.676%0.75981%0.806SS**  trans-94.3104170-57.3-179.2000108.6I185 K189I185-I187 HydrophobicContact CG2-CD1 4.25Å; I185-I187 HydrophobicContact CG2-CG1 3.86Å; I185-I187 PolarHBondContact O-N 3.36Å; I187-K189 PolarHBondContact O-N 3.37Å
188Q31.6Very low30Very low154 Ų154162.8 Ų162.872%0.7280%0.8SS**  trans-64.8119.5176.3-63.4-177.613.100111K190Q188-K190 PolarHBondContact O-N 3.47Å
189K28.3Very low29.9Very low213 Ų213162.4 Ų162.493%0.92680%0.803SS**  trans-70.6106.1170.9-68.2178.5179175.80110I187I187-K189 PolarHBondContact O-N 3.37Å
190K29.9Very low29.9Very low183 Ų183165.3 Ų165.380%0.79681%0.811SS**  trans-115.1112163.1-86.5-176.9176.21750110.6Q188Q188-K190 PolarHBondContact O-N 3.47Å
191K33.6Very low29.9Very low209 Ų209165.9 Ų165.991%0.90981%0.81SS**  trans-61144.1169.9-75.3175.4174.3174.30110.6
192P31.3Very low30Very low108 Ų108164.2 Ų164.270%0.70181%0.814SS**  -149.4138.3119.927.4-5.6000113.9
193K30Very low30.2Very low207 Ų207166.2 Ų166.290%0.982%0.817SS**  89.5118.495.9-67.9-178.8-179.7179.50114.4
194K29.5Very low30.1Very low203 Ų203164.6 Ų164.688%0.88381%0.814SS**  trans-44.2141.4176.7-60.9169.8176.11780113.6
195L28.3Very low30.4Very low172 Ų172164.3 Ų164.390%0.90181%0.812SS**  trans-145.9125148.6-101.3149.8000109.6
196K28.5Very low30.7Very low180 Ų180164.6 Ų164.678%0.78382%0.82SS**  trans-76.3174.7174.7-68.7172.9170.8-178.70109.7
197N31.1Very low30.9Very low134 Ų134164.6 Ų164.672%0.71782%0.821SS**  trans114136.3163-55.8-7.5000110.6
198N28Very low31Very low144 Ų144165.1 Ų165.177%0.7782%0.822SS**  cis-168.6113.8-4.4-99.8-21.6000104
199L29.9Very low31Very low173 Ų173163.2 Ų163.291%0.90682%0.823SS**  trans-134.646.4175.6-109.3155.6000109.3
200N28.8Very low31Very low160 Ų160157.9 Ų157.986%0.85681%0.812SS**  trans-125.377.1172.7-68.95.1000107.5
201K31.6Very low31.3Very low205 Ų205158.5 Ų158.589%0.89182%0.818SS**  trans-164.642.8168-134.9177.8-173.9-177.60115
202V33Very low31.5Very low137 Ų137156.2 Ų156.283%0.8381%0.81SS**SBendtrans-149.3140.9161-168.80000105
203I35Very low31.8Very low166 Ų166158.9 Ų158.985%0.85181%0.811SS**  trans92.861.4-176.8-39.5151.9000113.2
204D28.7Very low32.3Very low143 Ų143155.7 Ų155.777%0.76580%0.804SS**  trans-119.4151.8143.2-91.4-35.3000106.6
205H35.4Very low32.9Very low179 Ų179149.6 Ų149.683%0.82979%0.787SS**  trans87.685.8-177.3-36.6-52.8000115.7
206T34.8Very low33.5Very low146 Ų146146.6 Ų146.690%0.89677%0.771SS**  -178.7114.1114.8-65.80000108.2
207S31Very low34.2Very low93 Ų93144.9 Ų144.965%0.6577%0.765SS**  trans-89.9143.1175.352.20000110.7
208M31.9Very low34.8Very low159 Ų159143.2 Ų143.278%0.78375%0.753SS**  trans170.7159.3146-89.9-41.491.600109.5
209P32.1Very low35.5Very low114 Ų114141.2 Ų141.274%0.7474%0.742SS**  -111.6168.2-78.510.513.2000113.1
210S29.2Very low36.2Very low100 Ų100136.5 Ų136.570%0.69972%0.72SS**  trans-70.6115.4-178.345.40000113.4
211E36.6Very low37.5Very low196 Ų196135 Ų13592%0.91671%0.706SS**SBendtrans-171.8-6.5148.4-108.4165.8-159.100115
212Q36.5Very low38.2Very low161 Ų161130.8 Ų130.875%0.75269%0.689SS**SBendtrans-1086.4177.3-84.3179-32.800115.6D214Q212-D214 PolarHBondContact O-N 3.15Å
213K37.8Very low38.5Very low165 Ų165130.1 Ų130.172%0.71768%0.68SS**Hα-helixtrans-75.2-18.9-173.1-78.7-177.6177.5177.40114.7H217K213-H217 PolarHBondContact O-N 3.42Å
214D40.6Very low38.9Very low139 Ų139129.9 Ų129.974%0.74367%0.673SS**Hα-helixtrans-86-29.8-176.9-63.5-25.1000112.8Q212 E218Q212-D214 PolarHBondContact O-N 3.15Å; D214-E218 PolarHBondContact O-N 3.25Å
215S41.3Very low39.6Very low75 Ų75129.2 Ų129.252%0.52467%0.67SS.*Hα-helixtrans-72-38.2176.3-179.10000112.5H217 E218 L219S215-H217 VanDerWaalsContact C-N 3.35Å; S215-E218 PolarHBondContact O-N 3.41Å; S215-L219 WeakPolarHBondContact O-CG 3.45Å; S215-L219 PolarHBondContact O-N 3.07Å
216I41.4Very low39.8Very low110 Ų110124.7 Ų124.756%0.56466%0.658SS**Hα-helixtrans-72.1-31.7178.7-59.6179.7000110.9T220I216-T220 WeakPolarHBondContact O-CB 3.33Å; I216-T220 PolarHBondContact O-N 2.86Å; I216-T220 PolarHBondContact O-OG1 3.06Å
217H43.8Very low39.8Very low144 Ų144122.7 Ų122.767%0.66765%0.646SS**Hα-helixtrans-73.6-29.1178.8-131.7-39000113.1K213 S215 K221K213-H217 PolarHBondContact O-N 3.42Å; S215-H217 VanDerWaalsContact C-N 3.35Å; H217-K221 WeakPolarHBondContact O-CB 3.24Å; H217-K221 PolarHBondContact O-N 3.25Å
218E44.6Very low40.1Very low99 Ų99123.6 Ų123.646%0.46364%0.643SS.*Hα-helixtrans-79.4-42.5178.3-161.564.9-154.900111.9D214 S215 T220 K221 Q222D214-E218 PolarHBondContact O-N 3.25Å; S215-E218 PolarHBondContact O-N 3.41Å; E218-T220 VanDerWaalsContact C-N 3.32Å; E218-T220 PolarHBondContact O-N 3.45Å; E218-K221 WeakPolarHBondContact O-CB 3.33Å; E218-K221 PolarHBondContact O-N 2.9Å; E218-K221 VanDerWaalsContact O-N 3.11Å; E218-Q222 WeakPolarHBondContact O-CG 3.4Å; E218-Q222 PolarHBondContact O-N 2.97Å
219L41.3Very low40.4Very low102 Ų102125 Ų12553%0.53465%0.645SS.*Hα-helixtrans-64.7-34.1174.9-72.5168.4000112.6S215 K221 L223S215-L219 WeakPolarHBondContact O-CG 3.45Å; S215-L219 PolarHBondContact O-N 3.07Å; L219-K221 VanDerWaalsContact C-N 3.28Å; L219-K221 PolarHBondContact O-N 3.18Å; L219-L223 PolarHBondContact O-N 2.93Å
220T45.6Very low40.5Very low73 Ų73124.8 Ų124.845%0.44865%0.646SS.*Hα-helixtrans-75-18.3176.1-48.30000112.7I216 E218I216-T220 WeakPolarHBondContact O-CB 3.33Å; I216-T220 PolarHBondContact O-N 2.86Å; I216-T220 PolarHBondContact O-OG1 3.06Å; E218-T220 VanDerWaalsContact C-N 3.32Å; E218-T220 PolarHBondContact O-N 3.45Å
221K55.7Low40.7Very low130 Ų130124.1 Ų124.157%0.56564%0.641SS**Hα-helixtrans-86.3-40176.4-155.5176.7177.6-168.20111.1H217 E218 L219 K224H217-K221 WeakPolarHBondContact O-CB 3.24Å; H217-K221 PolarHBondContact O-N 3.25Å; E218-K221 WeakPolarHBondContact O-CB 3.33Å; E218-K221 PolarHBondContact O-N 2.9Å; E218-K221 VanDerWaalsContact O-N 3.11Å; L219-K221 VanDerWaalsContact C-N 3.28Å; L219-K221 PolarHBondContact O-N 3.18Å; K221-K224 PolarHBondContact O-N 3.47Å
222Q45.5Very low40.7Very low115 Ų115119.8 Ų119.854%0.53762%0.623SS.*Hα-helixtrans-72.1-28.2178-66.5-177.421.400113.9E218 S226E218-Q222 WeakPolarHBondContact O-CG 3.4Å; E218-Q222 PolarHBondContact O-N 2.97Å; Q222-S226 PolarHBondContact O-OG 3Å
223L39.6Very low40.5Very low123 Ų123119.8 Ų119.864%0.64462%0.623SS**Hα-helixtrans-76.1-19.8174.6-82.1165.6000114L219L219-L223 PolarHBondContact O-N 2.93Å
224K42.8Very low40.3Very low161 Ų161118.8 Ų118.870%0.763%0.626SS**Hα-helixtrans-83.6-20.9177.3-85.8177.3175.2177.40113.8K221K221-K224 PolarHBondContact O-N 3.47Å
225D44Very low40.1Very low129 Ų129117.2 Ų117.269%0.6962%0.621SS**Hα-helixtrans-98.5-11.3-174.8-72.8-26.4000114.2
226S39.5Very low39.7Very low85 Ų85117.8 Ų117.859%0.59463%0.625SS**SBendtrans-108.7-15.2-169.1500000117.3Q222Q222-S226 PolarHBondContact O-OG 3Å
227T36.1Very low39.3Very low104 Ų104120.9 Ų120.964%0.63864%0.639SS**SBendtrans-144.413.3-164.2-25.90000118.2
228L37.1Very low38.9Very low112 Ų112122.3 Ų122.359%0.58665%0.646SS**SBendtrans-137.316.2-174-75.7174.9000117.2I232L228-I232 HydrophobicContact CB-CD1 4.13Å; L228-I232 WeakPolarHBondContact O-CD1 3.13Å; L228-I232 WeakPolarHBondContact O-CG1 3.19Å
229K36.8Very low38.3Very low189 Ų189126.4 Ų126.482%0.82266%0.662SS**SBendtrans-95.3-7.2-179.4-84.4179.5179171.20116.5
230S34.1Very low37.8Very low109 Ų109128 Ų12876%0.76267%0.672SS**SBendtrans-104.2-10.4178.869.40000115.6
231S34.5Very low37.1Very low86 Ų86133.1 Ų133.160%0.60169%0.692SS**SBendtrans-113.4-2.9-178-64.90000114.8
232I36.6Very low35.8Very low105 Ų105135 Ų13554%0.53871%0.708SS.*SBendtrans-89.7-13.1-178.1-66.9-178.5000112.5L228L228-I232 HydrophobicContact CB-CD1 4.13Å; L228-I232 WeakPolarHBondContact O-CD1 3.13Å; L228-I232 WeakPolarHBondContact O-CG1 3.19Å
233Q31.7Very low35.3Very low160 Ų160135.7 Ų135.775%0.74872%0.72SS**SBendtrans-81.9-19.3-178.7-161.9146.7-2.200114.1
234N34.3Very low35Very low144 Ų144138.6 Ų138.677%0.7773%0.727SS**SBendtrans-95.6-10.1-179.4-66.2-12.6000114
235V35.7Very low34.6Very low106 Ų106138.8 Ų138.864%0.64274%0.736SS**SBendtrans-101.6-4.1176.6-1770000111.7
236S33Very low34Very low87 Ų87139.6 Ų139.661%0.60874%0.74SS**THydrogen-bonded Turntrans-90.81.3-176-156.30000114.8
237M32.9Very low33.7Very low176 Ų176142.5 Ų142.587%0.86775%0.749SS**THydrogen-bonded Turntrans-96.8-6.6174.4-69.3-130.1-86.400114.3
238E35.1Very low33.7Very low174 Ų174145.7 Ų145.781%0.81376%0.761SS**SBendtrans-1031.5-175.4-129.3174.3176.300114.1N240E238-N240 PolarHBondContact O-N 2.9Å; E238-N240 VanDerWaalsContact O-N 3.13Å
239K32.4Very low33.3Very low184 Ų184145.7 Ų145.780%0.877%0.77SS**  trans-86.927.2-174.5-139.8169.7-172.1165.50114.6
240N31.4Very low33.5Very low136 Ų136145 Ų14573%0.72777%0.767SS**SBendtrans-128.231.5-173.7-80.4-19.9000114E238E238-N240 PolarHBondContact O-N 2.9Å; E238-N240 VanDerWaalsContact O-N 3.13Å
241M30.7Very low33.4Very low180 Ų180147.8 Ų147.889%0.88777%0.768SS**SBendtrans-144.713.7175.6-86.2-679500117.4
242L29Very low33.2Very low170 Ų170150.1 Ų150.189%0.8977%0.774SS**  trans-121.793.4-179.1-159.974.1000112.4
243V34.9Very low32.8Very low130 Ų130151.6 Ų151.679%0.78878%0.783SS**  trans-129.497.5165.6-179.40000110.2
244K33.1Very low33Very low184 Ų184151.7 Ų151.780%0.879%0.787SS**  trans42.1108.4132.7-57.4-179.4179.2-1750118.5
245N32.9Very low32.8Very low165 Ų165150.3 Ų150.388%0.88278%0.784SS**  trans-126.396.5152.6-78.2-25.5000108.8
246D32.3Very low32.5Very low145 Ų145155.3 Ų155.378%0.77580%0.797SS**  trans-123136.2161.7-80.9-32.6000108.7
247N32.9Very low32.5Very low147 Ų147162.6 Ų162.679%0.78681%0.811SS**  trans89.793.7159.6-48.4-32.5000118.5
248I35.7Very low32.4Very low171 Ų171163.5 Ų163.588%0.87781%0.811SS**  trans-137102.1133.5-61.3-177.4000108.9
249S29.5Very low32.1Very low112 Ų112160.8 Ų160.878%0.78381%0.811SS**  trans-105104.2158.955.30000108
250K40.3Very low32.3Very low174 Ų174163.6 Ų163.676%0.75782%0.816SS**  trans-157.6104.4159.1-69.4-157.2179.3-174.50107.6
251E32.6Very low32.4Very low167 Ų167166.7 Ų166.778%0.7882%0.823SS**  83.8104.4106.1-82.7179.1152.400113.9
252D29.8Very low32.7Very low136 Ų136164.1 Ų164.173%0.72782%0.82SS**  68.2118.6121.6-84.914.3000122.3
253N28.4Very low32.8Very low136 Ų136164.1 Ų164.173%0.72782%0.82SS**  trans76.4113.1146.4-60.6-51.5000118
254L36.6Very low32.7Very low162 Ų162166.5 Ų166.585%0.84883%0.825SS**  -17897123.3-91.5153.2000111.5
255T30.1Very low33Very low114 Ų114166.9 Ų166.970%0.69983%0.826SS**  37113.113055.80000120.6
256K29.7Very low33.1Very low211 Ų211168.5 Ų168.592%0.91783%0.829SS**  trans32.5101.8132.1-70.5178.9177.91740116.9
257R31.8Very low33.1Very low240 Ų240168.2 Ų168.291%0.90683%0.826SS**  trans-150.698.5147.7-130.7172.3176.5170.5-1.5114.2
258K31.9Very low33.2Very low196 Ų196165.7 Ų165.785%0.85282%0.818SS**  trans22.1114.4146.3-68.8-179.8175.3-179.10118.4
259S28.8Very low33.3Very low117 Ų117166.7 Ų166.782%0.81882%0.819SS**  trans-40.2127.1154.851.40000114.1
260R35.3Very low33.8Very low242 Ų242166.5 Ų166.591%0.91381%0.813SS**  trans-122.4115.9155.9-83.7-177168.1176.3-4.1107.8
261K34.9Very low33.6Very low202 Ų202165.5 Ų165.588%0.87881%0.813SS**  trans-68.1140.1174.8-63.1-179.6176.2-173.30109.8
262P36Very low34Very low125 Ų125163.9 Ų163.981%0.81281%0.809SS**  trans-76.3135.1165.2-2.420.4000109.7M264P262-M264 PolarHBondContact O-N 2.91Å
263L30.5Very low34.5Very low171 Ų171165 Ų16590%0.89581%0.81SS**  trans-71.4105.5176.4-177.569.2000109.6
264M33.3Very low35.2Very low179 Ų179164.4 Ų164.488%0.88281%0.807SS**PPolyproline II helixtrans-77.7126.6170.1-101.217674.400110P262P262-M264 PolarHBondContact O-N 2.91Å
265K40.2Very low35.4Very low193 Ų193166.1 Ų166.184%0.83981%0.807SS**PPolyproline II helixtrans-72127.6168.5-68176.5178.2177.40108.2L267K265-L267 PolarHBondContact O-N 3.34Å
266Q34Very low35.6Very low198 Ų198170.5 Ų170.593%0.92581%0.811SS**PPolyproline II helixtrans-53.9120.1172.7-87171.8-37.500110.4
267L32.7Very low36.1Very low139 Ų139166.9 Ų166.973%0.72880%0.8SS**PPolyproline II helixtrans-81.9139.1162.9-129.5103.8000108K265K265-L267 PolarHBondContact O-N 3.34Å
268P35.1Very low36.6Very low95 Ų95162.8 Ų162.862%0.61780%0.797SS**PPolyproline II helixtrans-62.8137.5-175.4-18.930.9000112.6T270P268-T270 PolarHBondContact O-N 2.96Å
269E38.7Very low37.2Very low192 Ų192156.2 Ų156.290%0.89778%0.784SS**G310 helixtrans-53.62-178.1-73.5-178.1144.600116.8
270T39.3Very low37.9Very low108 Ų108154.3 Ų154.366%0.66377%0.771SS**G310 helixtrans-91.9-2.5-171.4540000114.8P268P268-T270 PolarHBondContact O-N 2.96Å
271M36.4Very low38.8Very low152 Ų152145.5 Ų145.575%0.74976%0.755SS**G310 helixtrans-99.4-3179.7-69.5-153.474.200115.6Q273M271-Q273 PolarHBondContact O-N 3.1Å
272L40.3Very low40Very low133 Ų133142.5 Ų142.570%0.69674%0.742SS**  trans-77.656.2166.7-69.1176.6000110.5N274L272-N274 PolarHBondContact O-N 3.4Å; L272-N274 VanDerWaalsContact O-N 3.1Å
273Q41.3Very low42Very low161 Ų161139.5 Ų139.575%0.75272%0.719SS**  trans-77.998.9173.4-74-174.13.600109.3M271 K275M271-Q273 PolarHBondContact O-N 3.1Å; Q273-K275 PolarHBondContact O-N 3.22Å
274N42Very low44.3Very low122 Ų122134.4 Ų134.465%0.65270%0.695SS**  trans-29.995.7163.8-62.4-47.3000112.6L272 R276L272-N274 PolarHBondContact O-N 3.4Å; L272-N274 VanDerWaalsContact O-N 3.1Å; N274-R276 PolarHBondContact O-N 2.89Å
275K41.3Very low46.5Very low199 Ų199131 Ų13187%0.86568%0.675SS**  trans-66104.5171.1-79.3-172175-175.10108.7Q273 I277Q273-K275 PolarHBondContact O-N 3.22Å; K275-I277 PolarHBondContact O-N 3.41Å
276R33.7Very low48.6Very low206 Ų206123.8 Ų123.878%0.77765%0.646SS**  trans-70.5115.1169.3-109.7178.8-172.21612.5108.2N274N274-R276 PolarHBondContact O-N 2.89Å
277I41.5Very low51Low134 Ų134121.7 Ų121.769%0.68764%0.641SS**  trans-94.1124.2159.2-58.2171.2000105.5K275 G279K275-I277 PolarHBondContact O-N 3.41Å; I277-G279 PolarHBondContact O-N 3.43Å
278N42.4Very low53.2Low155 Ų155122.7 Ų122.783%0.82964%0.642SS**SBendtrans-69.5113.7-179.8-74.84.4000109.4
279G44.4Very low55.2Low57 Ų57120.3 Ų120.359%0.58863%0.634SS**SBendtrans129.491.1176.400000112.7I277I277-G279 PolarHBondContact O-N 3.43Å
280S42.2Very low57Low78 Ų78115 Ų11555%0.54561%0.613SS.*SBendtrans54.695.5174.154.10000118.5P295 L297S280-P295 WeakPolarHBondContact O-CB 3.46Å; S280-L297 WeakPolarHBondContact OG-CD2 3.49Å
281G54.2Low59Low56 Ų56114.2 Ų114.258%0.57760%0.604SS**  trans91.9146152.700000116.3P295G281-P295 WeakPolarHBondContact O-CG 3.48Å
282K61.4Low61Low140 Ų140111.9 Ų111.961%0.60959%0.593SS**  trans-84.5132.7178.5-73.8178.5176.1-179.40110.2
283L77.9Confident62.6Low61 Ų61108.1 Ų108.132%0.31958%0.578SS.*  trans-65.3141.7161.7-60.4172.1000108.9F285 L291 V294L283-F285 HydrophobicContact CB-CE2 3.81Å; L283-F285 HydrophobicContact CB-CZ 4.25Å; L283-F285 HydrophobicContact CD1-CZ 4.38Å; L283-L291 HydrophobicContact CB-CD1 3.96Å; L283-L291 HydrophobicContact CD2-CD1 4.07Å; L283-L291 HydrophobicContact CG-CD1 4.45Å; L283-V294 HydrophobicContact CD2-CB 4.18Å; L283-V294 HydrophobicContact CD2-CG1 3.87Å; L283-V294 HydrophobicContact CD2-CG2 3.9Å
284V77.7Confident64.2Low64 Ų64105 Ų10539%0.38857%0.57SS.*EExtended strand (participates in β ladder)trans-118.4133.6177.4-1690000108.6I292 S293V284-I292 VanDerWaalsContact C-CG1 3.44Å; V284-I292 HydrophobicContact CB-CD1 4.14Å; V284-I292 HydrophobicContact CB-CG1 3.81Å; V284-I292 HydrophobicContact CG1-CD1 3.41Å; V284-I292 VanDerWaalsContact CG1-CD1 3.41Å; V284-I292 HydrophobicContact CG1-CG1 3.63Å; V284-I292 WeakPolarHBondContact O-CG1 3.46Å; V284-I292 PolarHBondContact O-N 2.88Å; V284-S293 WeakPolarHBondContact CB-OG 3.33Å; V284-S293 WeakPolarHBondContact CG2-OG 3.48Å; V284-S293 PolarHBondContact N-O 2.93Å; V284-S293 VanDerWaalsContact N-O 3.15Å; V284-S293 PolarHBondContact O-N 2.73Å
285F79.9Confident65.5Low107 Ų107100.9 Ų100.947%0.46955%0.55SS..EExtended strand (participates in β ladder)trans-117.6151178.5-61.4-92.8000110.6L283 N290 L291L283-F285 HydrophobicContact CB-CE2 3.81Å; L283-F285 HydrophobicContact CB-CZ 4.25Å; L283-F285 HydrophobicContact CD1-CZ 4.38Å; F285-N290 CarbonylContact C-O 3.5Å; F285-N290 WeakPolarHBondContact CA-O 3.48Å; F285-L291 HydrophobicContact CD1-CB 4.2Å; F285-L291 HydrophobicContact CD1-CD1 4.19Å; F285-L291 HydrophobicContact CE1-CB 4.01Å; F285-L291 HydrophobicContact CE1-CD1 3.73Å; F285-L291 HydrophobicContact CE1-CG 4.47Å; F285-L291 HydrophobicContact CE2-CD1 4.27Å; F285-L291 HydrophobicContact CZ-CD1 3.77Å
286D84.1Confident66.5Low43 Ų4399 Ų9923%0.2354%0.542CS..  trans-79.1177.8166.568.713.7000111.6E288 G289 N290 I292D286-E288 PolarHBondContact O-N 3.06Å; D286-E288 WeakPolarHBondContact OD1-CA 3.34Å; D286-E288 PolarHBondContact OD1-N 2.95Å; D286-G289 PolarHBondContact O-N 3.18Å; D286-G289 PolarHBondContact OD1-N 3.13Å; D286-N290 PolarHBondContact N-O 2.94Å; D286-N290 WeakPolarHBondContact OD1-CA 3.35Å; D286-N290 WeakPolarHBondContact OD1-CB 3.3Å; D286-N290 PolarHBondContact OD1-N 3.22Å; D286-N290 PolarHBondContact OD1-ND2 3.44Å; D286-N290 WeakPolarHBondContact OD2-CB 3.17Å; D286-N290 PolarHBondContact OD2-ND2 3.28Å; D286-I292 HydrophobicContact CB-CG2 3.9Å
287D84.8Confident67.7Low154 Ų15495 Ų9582%0.82454%0.535SS*.THydrogen-bonded Turntrans-70.8-14.5178.656.3-36000113.8
288E78Confident68.1Low159 Ų15996.6 Ų96.674%0.74353%0.533SS*.THydrogen-bonded Turntrans-89.1-7.1173.2-61.8-176.1173.600112.5D286 N290D286-E288 PolarHBondContact O-N 3.06Å; D286-E288 WeakPolarHBondContact OD1-CA 3.34Å; D286-E288 PolarHBondContact OD1-N 2.95Å; E288-N290 WeakPolarHBondContact CB-ND2 3.5Å; E288-N290 PolarHBondContact OE2-ND2 3.1Å
289G78.3Confident68.5Low45 Ų4595.1 Ų95.146%0.46453%0.533SS..SBendtrans899.8-178.900000114.5D286D286-G289 PolarHBondContact O-N 3.18Å; D286-G289 PolarHBondContact OD1-N 3.13Å
290N76Confident68.2Low82 Ų8298.1 Ų98.144%0.43954%0.539SS..  trans-80.6142175.6-47.9-60000110.8F285 D286 E288 I292F285-N290 CarbonylContact C-O 3.5Å; F285-N290 WeakPolarHBondContact CA-O 3.48Å; D286-N290 PolarHBondContact N-O 2.94Å; D286-N290 WeakPolarHBondContact OD1-CA 3.35Å; D286-N290 WeakPolarHBondContact OD1-CB 3.3Å; D286-N290 PolarHBondContact OD1-N 3.22Å; D286-N290 PolarHBondContact OD1-ND2 3.44Å; D286-N290 WeakPolarHBondContact OD2-CB 3.17Å; D286-N290 PolarHBondContact OD2-ND2 3.28Å; E288-N290 WeakPolarHBondContact CB-ND2 3.5Å; E288-N290 PolarHBondContact OE2-ND2 3.1Å; N290-I292 PolarHBondContact O-N 3.39Å
291L81Confident68Low90 Ų90101 Ų10147%0.47155%0.548SS..EExtended strand (participates in β ladder)trans-75.1116.2177.5-177.570000110.5L283 F285 V294L283-L291 HydrophobicContact CB-CD1 3.96Å; L283-L291 HydrophobicContact CD2-CD1 4.07Å; L283-L291 HydrophobicContact CG-CD1 4.45Å; F285-L291 HydrophobicContact CD1-CB 4.2Å; F285-L291 HydrophobicContact CD1-CD1 4.19Å; F285-L291 HydrophobicContact CE1-CB 4.01Å; F285-L291 HydrophobicContact CE1-CD1 3.73Å; F285-L291 HydrophobicContact CE1-CG 4.47Å; F285-L291 HydrophobicContact CE2-CD1 4.27Å; F285-L291 HydrophobicContact CZ-CD1 3.77Å; L291-V294 HydrophobicContact CD1-CG2 4.38Å; L291-V294 HydrophobicContact CD2-CG2 3.58Å; L291-V294 HydrophobicContact CG-CG2 4.16Å
292I78.2Confident67Low103 Ų103105.2 Ų105.253%0.52856%0.558SS.*EExtended strand (participates in β ladder)trans-99.5-22.1-178.854.1164.2000113.9V284 D286 N290V284-I292 VanDerWaalsContact C-CG1 3.44Å; V284-I292 HydrophobicContact CB-CD1 4.14Å; V284-I292 HydrophobicContact CB-CG1 3.81Å; V284-I292 HydrophobicContact CG1-CD1 3.41Å; V284-I292 VanDerWaalsContact CG1-CD1 3.41Å; V284-I292 HydrophobicContact CG1-CG1 3.63Å; V284-I292 WeakPolarHBondContact O-CG1 3.46Å; V284-I292 PolarHBondContact O-N 2.88Å; D286-I292 HydrophobicContact CB-CG2 3.9Å; N290-I292 PolarHBondContact O-N 3.39Å
293S74.1Confident65.6Low54 Ų54104.6 Ų104.638%0.37856%0.561SS.*EExtended strand (participates in β ladder)trans-156.5147.9171720000114.4V284V284-S293 WeakPolarHBondContact CB-OG 3.33Å; V284-S293 WeakPolarHBondContact CG2-OG 3.48Å; V284-S293 PolarHBondContact N-O 2.93Å; V284-S293 VanDerWaalsContact N-O 3.15Å; V284-S293 PolarHBondContact O-N 2.73Å
294V74.5Confident63.5Low96 Ų96110.4 Ų110.458%0.58258%0.584SS**  trans-121.1131172.8-174.10000108.5L283 L291L283-V294 HydrophobicContact CD2-CB 4.18Å; L283-V294 HydrophobicContact CD2-CG1 3.87Å; L283-V294 HydrophobicContact CD2-CG2 3.9Å; L291-V294 HydrophobicContact CD1-CG2 4.38Å; L291-V294 HydrophobicContact CD2-CG2 3.58Å; L291-V294 HydrophobicContact CG-CG2 4.16Å
295P70.1Confident61.4Low36 Ų36115.3 Ų115.323%0.23460%0.603CS.*  trans-60.1138.5175.2-14.122.8000111.9S280 G281 L297S280-P295 WeakPolarHBondContact O-CB 3.46Å; G281-P295 WeakPolarHBondContact O-CG 3.48Å; P295-L297 PolarHBondContact O-N 3.44Å
296K63Low59.1Low159 Ų159117.3 Ų117.369%0.69162%0.618SS**  trans-72.1113.7173.3-169.5173.6-179.5-177.50109.4Y298K296-Y298 HydrophobicContact CD-CE1 4.33Å
297L57.3Low56.7Low123 Ų123124.2 Ų124.264%0.64465%0.649SS**PPolyproline II helixtrans-77.2126.8173.1-55.7179.1000109S280 P295S280-L297 WeakPolarHBondContact OG-CD2 3.49Å; P295-L297 PolarHBondContact O-N 3.44Å
298Y50.2Low54.1Low166 Ų166121.2 Ų121.265%0.65164%0.64SS**PPolyproline II helixtrans-99.7138.2167.6-65.2-80.1000108.8K296 V300K296-Y298 HydrophobicContact CD-CE1 4.33Å; Y298-V300 PolarHBondContact O-N 2.85Å
299P50.3Low52Low125 Ų125123 Ų12381%0.81265%0.646SS**PPolyproline II helixtrans-63.2122.8174.825-31000109.5N301P299-N301 PolarHBondContact O-N 3.41Å
300V39.1Very low49.9Very low120 Ų120126.3 Ų126.373%0.72766%0.657SS**  trans-74.7113.5176.1177.90000108.3Y298 N302Y298-V300 PolarHBondContact O-N 2.85Å; V300-N302 WeakPolarHBondContact CG1-OD1 3.2Å; V300-N302 PolarHBondContact O-N 3.48Å
301N38.1Very low47.8Very low138 Ų138127.7 Ų127.774%0.73867%0.669SS**  trans-85.293.9173.2-159.711.5000108.6P299 N303P299-N301 PolarHBondContact O-N 3.41Å; N301-N303 PolarHBondContact O-N 3.36Å; N301-N303 VanDerWaalsContact O-N 3.13Å
302N32.8Very low45.5Very low145 Ų145130.1 Ų130.178%0.77568%0.682SS**  trans-83.781175.2-77.7-15.5000109.8V300V300-N302 WeakPolarHBondContact CG1-OD1 3.2Å; V300-N302 PolarHBondContact O-N 3.48Å
303N33Very low43.5Very low126 Ų126130.2 Ų130.267%0.67469%0.692SS**  trans-126.3128.5165.7-88.4-28.8000109.2N301N301-N303 PolarHBondContact O-N 3.36Å; N301-N303 VanDerWaalsContact O-N 3.13Å
304K32.1Very low41.5Very low183 Ų183136.9 Ų136.980%0.79672%0.717SS**  trans79.2108.3167.4-64177.1178.3179.60114.5
305Q34.2Very low39.7Very low168 Ų168138 Ų13879%0.78573%0.729SS**  65.3107.992.9-72.9-172.4-33.200110.6
306D31.6Very low37.9Very low149 Ų149144.5 Ų144.580%0.79776%0.762SS**  trans25.7106.6137.8-53.4-31.7000115.4
307E33.9Very low36.4Very low187 Ų187140.1 Ų140.187%0.87476%0.762SS**  174.9121.7117.5-92.4173.1-171.500109.4
308S30.4Very low35.2Very low92 Ų92140.5 Ų140.564%0.64377%0.769SS**  trans-47.3136.8155.348.40000110.1
309F33.1Very low34.3Very low195 Ų195138.8 Ų138.886%0.85577%0.772SS**  178.9157.2125.2-90.1-65.8000110
310T34.3Very low33.5Very low115 Ų115139.3 Ų139.371%0.70677%0.767SS**  trans-82.7153.8-159.543.40000114.7
311T33Very low33.2Very low112 Ų112141.5 Ų141.569%0.68778%0.775SS**  trans68.1125139.553.20000120.8
312D32.2Very low33.1Very low141 Ų141142.1 Ų142.175%0.75478%0.777SS**  100.4124.6129.5-70.9-5.4000120.9
313S36.4Very low33.1Very low104 Ų104141.5 Ų141.573%0.72777%0.773SS**  trans85.9102.6140.3-52.80000120
314H32.8Very low33.1Very low194 Ų194139.5 Ų139.590%0.89878%0.782SS**  trans17.9121.1132.4-63.6-70.2000119.5
315S36.8Very low33.3Very low119 Ų119136.4 Ų136.483%0.83277%0.774SS**  -164.8140.6124.361.60000111.4
316N32.4Very low33.3Very low173 Ų173138.3 Ų138.393%0.92578%0.78SS**  trans-52.9142.7-177.1-57.1-48.7000114.2
317G30.9Very low33.6Very low68 Ų68138.2 Ų138.270%0.70178%0.777SS**  trans-164.8114.4167.100000108.6
318T31.3Very low33.6Very low130 Ų130135 Ų13580%0.79877%0.773SS**  trans-28140.9164.1-17.10000112.9
319D31.2Very low33.7Very low131 Ų131136.7 Ų136.770%0.70177%0.773SS**  trans163.9128.2130-81-9.1000114.2
320N34.6Very low33.5Very low135 Ų135136.5 Ų136.572%0.72278%0.775SS**  trans81.1102.8139.1-55.5-20.2000120.8I322N320-I322 PolarHBondContact O-N 3.02Å
321N31.3Very low33.2Very low167 Ų167141.6 Ų141.689%0.89378%0.782SS**  trans-51.9119.2146.6-71.4-34.8000111.2
322I36.1Very low32.9Very low151 Ų151147.2 Ų147.277%0.77479%0.79SS**  trans-145.5106.5154.8-61.1-173.9000109.7N320N320-I322 PolarHBondContact O-N 3.02Å
323L33.7Very low32.7Very low132 Ų132149.9 Ų149.969%0.69180%0.796SS**  trans61.893134.7-143.567.9000119.5N325L323-N325 WeakPolarHBondContact CD1-OD1 3.4Å; L323-N325 HydrophobicContact CG-CB 4.39Å
324G32.8Very low32.5Very low83 Ų83150.2 Ų150.286%0.85679%0.793SS**  trans-98.372.1158.200000111.4
325N36.3Very low32.4Very low119 Ų119146.3 Ų146.364%0.63679%0.787SS**PPolyproline II helixtrans-82.1117.9174.3-74.9-1.9000110.3L323 I327L323-N325 WeakPolarHBondContact CD1-OD1 3.4Å; L323-N325 HydrophobicContact CG-CB 4.39Å; N325-I327 PolarHBondContact O-N 2.9Å
326K34.6Very low32.1Very low207 Ų207148.2 Ų148.290%0.978%0.783SS**PPolyproline II helixtrans-67.7119.3168.5-79.3-176174.5-168.80109.5
327I37.6Very low32.1Very low147 Ų147145.1 Ų145.175%0.75478%0.775SS**PPolyproline II helixtrans-93.4117.6165.4-59168.2000107.5N325 I329N325-I327 PolarHBondContact O-N 2.9Å; I327-I329 PolarHBondContact O-N 3.35Å
328P34.5Very low32.2Very low119 Ų119151.9 Ų151.977%0.77378%0.781SS**PPolyproline II helixtrans-73.7117.7172.828.2-29.5000109.7
329I32.2Very low32.3Very low128 Ų128150.6 Ų150.666%0.65678%0.778SS**PPolyproline II helixtrans-82.7117.7172.1-60.7172.6000108I327 W331I327-I329 PolarHBondContact O-N 3.35Å; I329-W331 HydrophobicContact CG2-CD2 4.45Å; I329-W331 HydrophobicContact CG2-CZ2 4.23Å
330Q27.5Very low32.1Very low192 Ų192151.9 Ų151.990%0.89778%0.784SS**PPolyproline II helixtrans-99.2116.1174.5-155.7178200108.6
331W28.8Very low32Very low221 Ų221150.2 Ų150.284%0.83778%0.783SS**PPolyproline II helixtrans-82.5140.4174.5-58.895.2000110.2I329I329-W331 HydrophobicContact CG2-CD2 4.45Å; I329-W331 HydrophobicContact CG2-CZ2 4.23Å
332R26.7Very low32.1Very low230 Ų230148.9 Ų148.987%0.86878%0.781SS**  trans-128.2122166.5-165.9-171-73-159.90.2108.1
333F27.4Very low32.1Very low198 Ų198146.8 Ų146.887%0.86878%0.776SS**  trans-76.5123.2170-70.3-84.7000108.8
334V33.1Very low32.2Very low110 Ų110147.2 Ų147.267%0.66778%0.779SS**  trans-105.4102167.7-1790000106.5E336V334-E336 HydrophobicContact CG1-CG 4.43Å; V334-E336 PolarHBondContact O-N 3.43Å
335S30.7Very low32.3Very low112 Ų112149.9 Ų149.978%0.78377%0.773SS**  trans-84.2101.4169.9-59.90000108.3S337S335-S337 PolarHBondContact O-N 2.93Å
336E30.9Very low32.2Very low159 Ų159152.1 Ų152.174%0.74378%0.78SS**  trans-76.9101.6164.7-87.3161.5168.500108.7V334 Y338V334-E336 HydrophobicContact CG1-CG 4.43Å; V334-E336 PolarHBondContact O-N 3.43Å; E336-Y338 PolarHBondContact O-N 2.82Å
337S32.4Very low32.2Very low109 Ų109152.7 Ų152.776%0.76278%0.783SS**  trans-70.3105167.826.80000109.1S335 S339S335-S337 PolarHBondContact O-N 2.93Å; S337-S339 VanDerWaalsContact C-N 3.35Å; S337-S339 PolarHBondContact O-N 2.88Å
338Y33Very low31.8Very low209 Ų209149.2 Ų149.282%0.8278%0.783SS**  trans-63.594.4163-78.7-92.1000109E336 N340E336-Y338 PolarHBondContact O-N 2.82Å; Y338-N340 PolarHBondContact O-N 2.96Å
339S31.9Very low31.8Very low104 Ų104151.4 Ų151.473%0.72779%0.787SS**  trans-83.198.6163.153.30000108.9S337 S341S337-S339 VanDerWaalsContact C-N 3.35Å; S337-S339 PolarHBondContact O-N 2.88Å; S339-S341 PolarHBondContact O-N 3.18Å
340N28.2Very low31.7Very low158 Ų158154.8 Ų154.885%0.84579%0.791SS**  trans-68.395.3162.7-79-20000108.5Y338Y338-N340 PolarHBondContact O-N 2.96Å
341S31.5Very low32Very low100 Ų100154.1 Ų154.170%0.69979%0.79SS**  trans-12789.6165.5170.40000108.8S339 T343S339-S341 PolarHBondContact O-N 3.18Å; S341-T343 PolarHBondContact O-N 3.01Å
342T33.2Very low32Very low138 Ų138149.2 Ų149.285%0.84778%0.781SS**  trans-62.4107.5163.3-54.20000108.3
343T37.8Very low32.3Very low108 Ų108143.9 Ų143.966%0.66378%0.779SS**  trans179.9112.3138.935.40000110.4S341S341-T343 PolarHBondContact O-N 3.01Å
344N35.6Very low32.6Very low140 Ų140143.5 Ų143.575%0.74978%0.776SS**  trans55119.6139.8-61.9-17000120.5
345N34Very low32.5Very low139 Ų139144.6 Ų144.674%0.74378%0.783SS**  trans100.590.5143.6-58.6-16000117.5
346Q35.6Very low32.3Very low167 Ų167145.9 Ų145.978%0.7878%0.78SS**  74.679108.9-160.8175.740.100115.7
347F34.3Very low32.2Very low218 Ų218143.8 Ų143.896%0.95678%0.778SS**  trans-156.1111.5135.8-93.9-71.2000108.8
348G28.8Very low32Very low74 Ų74142.7 Ų142.776%0.76378%0.776SS**  trans-84.6141.8-179.300000112.4
349I33.8Very low31.6Very low165 Ų165144.1 Ų144.185%0.84678%0.78SS**  trans-124.1108.6149.2-61-179.5000106.4
350R30.6Very low31.4Very low199 Ų199144.3 Ų144.375%0.75178%0.781SS**  trans-87.9117.3178.4-179.7-174.7-176.9-161.57.5107.8N352R350-N352 PolarHBondContact NE-OD1 3.37Å
351M33.1Very low31.3Very low178 Ų178142.2 Ų142.288%0.87778%0.779SS**  trans-119.4107.4160.3-74.5-61.3-151.900108.7
352N30.3Very low31.3Very low119 Ų119144.5 Ų144.564%0.63678%0.782SS**  trans-77129.5172.1-50.5-53.1000108.1R350R350-N352 PolarHBondContact NE-OD1 3.37Å
353S33.3Very low31.3Very low118 Ų118142.4 Ų142.483%0.82577%0.772SS**  trans-149.3139.7145.890.50000110.6
354K31.9Very low30.8Very low189 Ų189145.5 Ų145.582%0.82279%0.785SS**  trans-63.5126.6-160.8-71.4162.4171.2172.70113.1I356K354-I356 HydrophobicContact CB-CG1 4.22Å; K354-I356 PolarHBondContact O-N 3.46Å
355V31Very low30.7Very low134 Ų134143.7 Ų143.781%0.81278%0.783SS**  trans-76102.5154.1179.80000106.9T357V355-T357 PolarHBondContact O-N 3.36Å
356I28.2Very low30.6Very low138 Ų138142.4 Ų142.471%0.70879%0.785SS**  trans-87.5101.1165.3-64.8176.3000106.4K354 A358K354-I356 HydrophobicContact CB-CG1 4.22Å; K354-I356 PolarHBondContact O-N 3.46Å; I356-A358 PolarHBondContact O-N 2.98Å; I356-A358 VanDerWaalsContact O-N 3.15Å
357T27.4Very low30.6Very low115 Ų115142 Ų14271%0.70679%0.789SS**  trans-70.797.6164.2-55.10000108.4V355 R359V355-T357 PolarHBondContact O-N 3.36Å; T357-R359 PolarHBondContact O-N 3.34Å
358A27.7Very low30.5Very low87 Ų87141.8 Ų141.872%0.71979%0.787SS**  trans-8698.3166.400000109.1I356 S360I356-A358 PolarHBondContact O-N 2.98Å; I356-A358 VanDerWaalsContact O-N 3.15Å; A358-S360 PolarHBondContact O-N 2.92Å
359R25.6Very low30.7Very low238 Ų238146.8 Ų146.890%0.89879%0.793SS**  trans-69.9112.6158.6-87.4177.9156.1-177.2-5.6107.7T357T357-R359 PolarHBondContact O-N 3.34Å
360S27.7Very low30.6Very low109 Ų109150.9 Ų150.976%0.76280%0.798SS**  trans-109.2100.8159.259.80000109.2A358A358-S360 PolarHBondContact O-N 2.92Å
361S26.4Very low30.8Very low113 Ų113146.9 Ų146.979%0.7980%0.795SS**  trans-83.5108.1161.145.10000108
362I31.4Very low30.7Very low148 Ų148144.8 Ų144.876%0.75979%0.793SS**  trans-137.2102.1165.4-63.4-176.7000109.4
363S33.1Very low30.8Very low94 Ų94146 Ų14666%0.65780%0.8SS**  trans31.6122.1144.261.20000120.6S365S363-S365 PolarHBondContact O-N 3.27Å
364N27Very low30.5Very low173 Ų173145.5 Ų145.593%0.92580%0.795SS**  trans-39.3117.9146.1-73.7-19000111.2
365S33.9Very low30.4Very low102 Ų102141.7 Ų141.771%0.71379%0.792SS**  trans-132.5124.514964.70000108.1S363 N367S363-S365 PolarHBondContact O-N 3.27Å; S365-N367 PolarHBondContact O-N 3.23Å
366S31.2Very low30.4Very low112 Ų112143 Ų14378%0.78379%0.787SS**  trans-54.7121179.248.40000111.4
367N35.1Very low30.5Very low159 Ų159144.6 Ų144.685%0.8579%0.791SS**  trans-134.4114.4151.1-90.1-34.6000109.3S365 M369S365-N367 PolarHBondContact O-N 3.23Å; N367-M369 PolarHBondContact O-N 3.13Å; N367-M369 VanDerWaalsContact O-N 3.15Å
368K32.6Very low30.9Very low214 Ų214144.1 Ų144.193%0.9378%0.784SS**  trans-55.1109.4172.2-86.4168.2167.7168.40109.3
369M34.1Very low31.3Very low178 Ų178145.4 Ų145.488%0.87778%0.783SS**  trans-126.1126.8146.1-83.3-166.386.300108.5N367 T371N367-M369 PolarHBondContact O-N 3.13Å; N367-M369 VanDerWaalsContact O-N 3.15Å; M369-T371 PolarHBondContact O-N 3.38Å
370R31.1Very low31.8Very low251 Ų251141.8 Ų141.895%0.94778%0.781SS**  trans-49.9107.8176.9-88.3168.8150.3165.6-8.2110
371T34.7Very low32.7Very low115 Ų115140.5 Ų140.571%0.70677%0.769SS**  trans-90115.7151.349.40000107.1M369 N373M369-T371 PolarHBondContact O-N 3.38Å; T371-N373 VanDerWaalsContact C-N 3.29Å; T371-N373 PolarHBondContact O-N 2.92Å
372T30.9Very low33.5Very low134 Ų134141.2 Ų141.282%0.82277%0.769SS**  trans-68.292.6165.943.70000107.7C374T372-C374 VanDerWaalsContact C-N 3.33Å; T372-C374 PolarHBondContact O-N 3.29Å; T372-C374 VanDerWaalsContact O-N 3.07Å
373N31.6Very low34.8Very low146 Ų146139.6 Ų139.678%0.78176%0.761SS**  trans-69.694.9161.8-73.6-21.4000107.3T371 S375T371-N373 VanDerWaalsContact C-N 3.29Å; T371-N373 PolarHBondContact O-N 2.92Å; N373-S375 PolarHBondContact O-N 2.98Å
374C27.3Very low36.3Very low107 Ų107138.1 Ų138.172%0.72375%0.748SS**  trans-81.294.6164.9-1500000106.5T372 F376T372-C374 VanDerWaalsContact C-N 3.33Å; T372-C374 PolarHBondContact O-N 3.29Å; T372-C374 VanDerWaalsContact O-N 3.07Å; C374-F376 PolarHBondContact O-N 3.32Å; C374-F376 VanDerWaalsContact O-N 3.1Å
375S30.5Very low38.6Very low108 Ų108134.9 Ų134.976%0.75574%0.736SS**  trans-69.4100.8160.666.40000106.6N373 E377N373-S375 PolarHBondContact O-N 2.98Å; S375-E377 PolarHBondContact O-N 3.46Å
376F30.9Very low40.3Very low163 Ų163134.5 Ų134.572%0.71573%0.726SS**  trans-78101165.2-132.4-90.9000106.6C374 L378C374-F376 PolarHBondContact O-N 3.32Å; C374-F376 VanDerWaalsContact O-N 3.1Å; F376-L378 HydrophobicContact CD1-CD2 3.58Å; F376-L378 HydrophobicContact CD1-CG 3.81Å; F376-L378 HydrophobicContact CE1-CD2 3.94Å; F376-L378 PolarHBondContact O-N 2.96Å
377E29.9Very low42.5Very low170 Ų170132.9 Ų132.979%0.79471%0.711SS**  trans-61.393.6159.1-78.2-174.815400107.4S375 T379S375-E377 PolarHBondContact O-N 3.46Å; E377-T379 VanDerWaalsContact C-N 3.25Å; E377-T379 PolarHBondContact O-N 3.27Å
378L36.2Very low44.4Very low106 Ų106129.2 Ų129.256%0.55569%0.691SS**  trans-84.976.9165.9-71.9167.3000107.9F376 N380 T381F376-L378 HydrophobicContact CD1-CD2 3.58Å; F376-L378 HydrophobicContact CD1-CG 3.81Å; F376-L378 HydrophobicContact CE1-CD2 3.94Å; F376-L378 PolarHBondContact O-N 2.96Å; L378-N380 PolarHBondContact O-N 2.92Å; L378-T381 HydrophobicContact CD2-CG2 3.7Å
379T37.3Very low46.5Very low114 Ų114125.6 Ų125.670%0.69967%0.671SS**THydrogen-bonded Turntrans-68117.7157.153.80000107.6E377E377-T379 VanDerWaalsContact C-N 3.25Å; E377-T379 PolarHBondContact O-N 3.27Å
380N36Very low48.4Very low161 Ų161122 Ų12286%0.86166%0.655SS**THydrogen-bonded Turntrans75.134.3167-55.2-14.3000118.9L378 T382L378-N380 PolarHBondContact O-N 2.92Å; N380-T382 PolarHBondContact O-N 2.92Å
381T45.5Very low50.6Low82 Ų82115.2 Ų115.250%0.50363%0.634SS.*  trans-83.6113.3158.748.60000110.4L378 I383L378-T381 HydrophobicContact CD2-CG2 3.7Å; T381-I383 PolarHBondContact O-N 3.45Å
382T43.7Very low52.6Low129 Ų129116.7 Ų116.779%0.79163%0.631SS**  trans-47105.5165.5-570000109.1N380 T384N380-T382 PolarHBondContact O-N 2.92Å; T382-T384 PolarHBondContact O-N 2.76Å
383I59.4Low54.6Low114 Ų114114 Ų11459%0.58561%0.61SS**  trans-68.2101.4175.5-60.1173.8000106.1T381 I388T381-I383 PolarHBondContact O-N 3.45Å; I383-I388 HydrophobicContact CG2-CD1 3.64Å; I383-I388 HydrophobicContact CG2-CG1 3.29Å
384T64.3Low56.4Low63 Ų63114.1 Ų114.139%0.38760%0.604SS.*  trans-69.5149.6172.658.20000109.2T382 D386 V387 I388T382-T384 PolarHBondContact O-N 2.76Å; T384-D386 PolarHBondContact O-N 2.97Å; T384-V387 PolarHBondContact O-N 3.03Å; T384-I388 PolarHBondContact O-N 3.09Å
385P73.6Confident58.6Low105 Ų105113.7 Ų113.768%0.68259%0.594SS**Hα-helixtrans-54.1-27.5176.618.7-30.5000112.7I388 R389P385-I388 PolarHBondContact O-N 3.19Å; P385-R389 WeakPolarHBondContact O-CB 3.34Å; P385-R389 PolarHBondContact O-N 3.41Å
386D71.2Confident60.4Low94 Ų94111.9 Ų111.950%0.50359%0.586SS.*Hα-helixtrans-64-40.9173.9-74.9-38.4000113.9T384 I388 R389 L390T384-D386 PolarHBondContact O-N 2.97Å; D386-I388 VanDerWaalsContact C-N 3.32Å; D386-I388 PolarHBondContact O-N 3.13Å; D386-R389 PolarHBondContact O-N 3.42Å; D386-R389 IonicContact OD1-NE 2.73Å; D386-L390 WeakPolarHBondContact O-CB 3.26Å; D386-L390 VanDerWaalsContact O-CG 3.3Å; D386-L390 WeakPolarHBondContact O-CG 3.33Å; D386-L390 PolarHBondContact O-N 2.9Å
387V77.7Confident61.8Low77 Ų77107.5 Ų107.547%0.46758%0.575SS.*Hα-helixtrans-65.8-39.4177.5176.40000110.2T384 L390 Q391T384-V387 PolarHBondContact O-N 3.03Å; V387-L390 PolarHBondContact O-N 3.12Å; V387-Q391 WeakPolarHBondContact O-CB 3.47Å; V387-Q391 PolarHBondContact O-N 3.37Å
388I74.4Confident63.4Low83 Ų83104.3 Ų104.343%0.42657%0.567SS.*Hα-helixtrans-64.7-43.6174.8-56.5179.2000110.4I383 T384 P385 D386 Q391 K392I383-I388 HydrophobicContact CG2-CD1 3.64Å; I383-I388 HydrophobicContact CG2-CG1 3.29Å; T384-I388 PolarHBondContact O-N 3.09Å; P385-I388 PolarHBondContact O-N 3.19Å; D386-I388 VanDerWaalsContact C-N 3.32Å; D386-I388 PolarHBondContact O-N 3.13Å; I388-Q391 PolarHBondContact O-N 3.46Å; I388-K392 HydrophobicContact CG2-CD 4.33Å; I388-K392 WeakPolarHBondContact O-CB 3.48Å; I388-K392 WeakPolarHBondContact O-CG 3.47Å; I388-K392 PolarHBondContact O-N 2.84Å
389R75.6Confident64.9Low138 Ų138106.3 Ų106.352%0.52158%0.578SS.*Hα-helixtrans-61.3-46.5178-169.5-177.770.890.70.2111.3P385 D386 K392 I393P385-R389 WeakPolarHBondContact O-CB 3.34Å; P385-R389 PolarHBondContact O-N 3.41Å; D386-R389 PolarHBondContact O-N 3.42Å; D386-R389 IonicContact OD1-NE 2.73Å; R389-K392 PolarHBondContact O-N 3.39Å; R389-I393 HydrophobicContact CG-CD1 4.11Å; R389-I393 VanDerWaalsContact O-CG1 3.31Å; R389-I393 WeakPolarHBondContact O-CG1 3.39Å; R389-I393 PolarHBondContact O-N 3.29Å
390L75.8Confident66.2Low103 Ų103106.6 Ų106.654%0.53958%0.575SS.*Hα-helixtrans-64.4-39.9177-71.5171.5000112D386 V387 I393 K394D386-L390 WeakPolarHBondContact O-CB 3.26Å; D386-L390 VanDerWaalsContact O-CG 3.3Å; D386-L390 WeakPolarHBondContact O-CG 3.33Å; D386-L390 PolarHBondContact O-N 2.9Å; V387-L390 PolarHBondContact O-N 3.12Å; L390-I393 PolarHBondContact O-N 2.9Å; L390-K394 VanDerWaalsContact O-CB 3.31Å; L390-K394 WeakPolarHBondContact O-CB 3.31Å; L390-K394 PolarHBondContact O-N 2.92Å
391Q76.5Confident67.8Low108 Ų108103.1 Ų103.151%0.50556%0.561SS.*Hα-helixtrans-64.1-41.6175.2-164.378.410.200111.3V387 I388 K394 N395V387-Q391 WeakPolarHBondContact O-CB 3.47Å; V387-Q391 PolarHBondContact O-N 3.37Å; I388-Q391 PolarHBondContact O-N 3.46Å; Q391-K394 PolarHBondContact O-N 2.93Å; Q391-N395 WeakPolarHBondContact O-CB 3.41Å; Q391-N395 PolarHBondContact O-N 2.85Å; Q391-N395 PolarHBondContact O-ND2 3.19Å; Q391-N395 PolarHBondContact O-OD1 3.26Å
392K76Confident68.9Low146 Ų146100.7 Ų100.764%0.63555%0.545SS*.Hα-helixtrans-63.2-44.9175.1-76.2-179.6177.1-174.60111.8I388 R389 N395 A396I388-K392 HydrophobicContact CG2-CD 4.33Å; I388-K392 WeakPolarHBondContact O-CB 3.48Å; I388-K392 WeakPolarHBondContact O-CG 3.47Å; I388-K392 PolarHBondContact O-N 2.84Å; R389-K392 PolarHBondContact O-N 3.39Å; K392-N395 PolarHBondContact O-N 2.92Å; K392-A396 WeakPolarHBondContact O-CB 3.33Å; K392-A396 PolarHBondContact O-N 2.92Å
393I73.1Confident70.4Confident77 Ų7799.4 Ų99.440%0.39554%0.537SS..Hα-helixtrans-61.9-48.3176.1-68.4165.7000110.2R389 L390 N395 A396 C397R389-I393 HydrophobicContact CG-CD1 4.11Å; R389-I393 VanDerWaalsContact O-CG1 3.31Å; R389-I393 WeakPolarHBondContact O-CG1 3.39Å; R389-I393 PolarHBondContact O-N 3.29Å; L390-I393 PolarHBondContact O-N 2.9Å; I393-N395 VanDerWaalsContact C-N 3.3Å; I393-N395 PolarHBondContact O-N 3.48Å; I393-A396 PolarHBondContact O-N 3.47Å; I393-A396 VanDerWaalsContact O-N 3.12Å; I393-C397 PolarHBondContact O-N 3.3Å; I393-C397 PolarHBondContact O-SG 3.35Å
394K70.3Confident71.3Confident149 Ų14994.4 Ų94.465%0.64851%0.512SS*.Hα-helixtrans-58.4-42.8178.2-173.4174.1178.7175.50111.7L390 Q391 C397 V398L390-K394 VanDerWaalsContact O-CB 3.31Å; L390-K394 WeakPolarHBondContact O-CB 3.31Å; L390-K394 PolarHBondContact O-N 2.92Å; Q391-K394 PolarHBondContact O-N 2.93Å; K394-C397 PolarHBondContact O-N 3.26Å; K394-V398 WeakPolarHBondContact O-CG2 3.26Å; K394-V398 PolarHBondContact O-N 2.96Å
395N72.1Confident71.7Confident97 Ų9795.6 Ų95.652%0.51952%0.516SS..Hα-helixtrans-69-34.1177.5-69.4-8.7000112.7Q391 K392 I393 C397Q391-N395 WeakPolarHBondContact O-CB 3.41Å; Q391-N395 PolarHBondContact O-N 2.85Å; Q391-N395 PolarHBondContact O-ND2 3.19Å; Q391-N395 PolarHBondContact O-OD1 3.26Å; K392-N395 PolarHBondContact O-N 2.92Å; I393-N395 VanDerWaalsContact C-N 3.3Å; I393-N395 PolarHBondContact O-N 3.48Å; N395-C397 VanDerWaalsContact C-N 3.32Å
396A69Low72Confident71 Ų7196.3 Ų96.359%0.58751%0.513SS*.Hα-helixtrans-69.6-30.6175.200000112.2K392 I393 L400K392-A396 WeakPolarHBondContact O-CB 3.33Å; K392-A396 PolarHBondContact O-N 2.92Å; I393-A396 PolarHBondContact O-N 3.47Å; I393-A396 VanDerWaalsContact O-N 3.12Å; A396-L400 WeakPolarHBondContact O-CD1 3.44Å
397C61Low72.2Confident70 Ų7095 Ų9547%0.47351%0.508SS..G310 helixtrans-83.4-6.2-179.6-63.80000115.1I393 K394 N395 N399 L400I393-C397 PolarHBondContact O-N 3.3Å; I393-C397 PolarHBondContact O-SG 3.35Å; K394-C397 PolarHBondContact O-N 3.26Å; N395-C397 VanDerWaalsContact C-N 3.32Å; C397-N399 PolarHBondContact O-N 3.04Å; C397-N399 VanDerWaalsContact O-N 3.13Å; C397-L400 PolarHBondContact O-N 3.32Å
398V63.3Low72.3Confident103 Ų10398.8 Ų98.862%0.62453%0.526SS*.G310 helixtrans-59.5-28.6-175.8178.40000113.1K394K394-V398 WeakPolarHBondContact O-CG2 3.26Å; K394-V398 PolarHBondContact O-N 2.96Å
399N66.7Low72.4Confident149 Ų14996.2 Ų96.280%0.79751%0.513SS*.G310 helixtrans-107.64.7-176.7-62.4-34.6000114C397C397-N399 PolarHBondContact O-N 3.04Å; C397-N399 VanDerWaalsContact O-N 3.13Å
400L66Low72.3Confident120 Ų12094.6 Ų94.663%0.62852%0.518SS*.SBendtrans-78.5128.4173.2-83.297.3000109.1A396 C397 N402A396-L400 WeakPolarHBondContact O-CD1 3.44Å; C397-L400 PolarHBondContact O-N 3.32Å; L400-N402 PolarHBondContact O-N 2.9Å
401P68.1Low72.1Confident88 Ų8891 Ų9157%0.57150%0.503SS*.PPolyproline II helixtrans-57.8139.6171.522.4-29.5000109.4T403 L406P401-T403 PolarHBondContact O-N 2.86Å; P401-L406 HydrophobicContact CB-CD1 4.29Å; P401-L406 HydrophobicContact CG-CD1 4.12Å
402N69.5Low72Confident30 Ų3089.1 Ų89.116%0.1651%0.513CS..PPolyproline II helixtrans-61.5137.6178.8-169.6-4.4000109.2L400 I404 D405 L406 H420L400-N402 PolarHBondContact O-N 2.9Å; N402-I404 HydrophobicContact CB-CG2 4.13Å; N402-I404 PolarHBondContact O-N 3.19Å; N402-D405 WeakPolarHBondContact O-CB 3.4Å; N402-D405 PolarHBondContact O-N 3.4Å; N402-L406 WeakPolarHBondContact O-CD1 3.31Å; N402-H420 PolarHBondContact ND2-CD2 3.26Å; N402-H420 PolarHBondContact ND2-NE2 2.9Å
403T75.7Confident72Confident103 Ų10385.2 Ų85.263%0.63250%0.501SS*.Hα-helixtrans-52.9-33.6-178.350.20000112P401 D405 L406 V407P401-T403 PolarHBondContact O-N 2.86Å; T403-D405 VanDerWaalsContact C-N 3.27Å; T403-D405 PolarHBondContact O-N 2.99Å; T403-L406 WeakPolarHBondContact O-CB 3.34Å; T403-L406 PolarHBondContact O-N 3.43Å; T403-L406 VanDerWaalsContact O-N 3.15Å; T403-V407 PolarHBondContact O-N 3.36Å
404I76.6Confident72.2Confident9 Ų985.9 Ų85.95%0.04651%0.509CS..Hα-helixtrans-63.1-32.2176.7-156.8156.9000113.4N402 L406 V407 I415 H420 K422N402-I404 HydrophobicContact CB-CG2 4.13Å; N402-I404 PolarHBondContact O-N 3.19Å; I404-L406 VanDerWaalsContact C-N 3.3Å; I404-L406 PolarHBondContact O-N 3.26Å; I404-V407 PolarHBondContact O-N 3.3Å; I404-I415 HydrophobicContact CD1-CB 3.73Å; I404-I415 HydrophobicContact CD1-CG2 3.48Å; I404-I415 VanDerWaalsContact CD1-CG2 3.48Å; I404-I415 WeakPolarHBondContact CD1-O 3.32Å; I404-I415 HydrophobicContact CG1-CB 4.13Å; I404-I415 HydrophobicContact CG1-CG2 4.02Å; I404-H420 HydrophobicContact CG2-CB 3.76Å; I404-K422 HydrophobicContact CD1-CB 4.47Å; I404-K422 HydrophobicContact CG1-CB 3.97Å; I404-K422 WeakPolarHBondContact O-CD 3.39Å
405D74.5Confident72.5Confident88 Ų8882 Ų8247%0.47150%0.495SS..Hα-helixtrans-73.6-26178.3-66.1-31.2000111.3N402 T403 K422N402-D405 WeakPolarHBondContact O-CB 3.4Å; N402-D405 PolarHBondContact O-N 3.4Å; T403-D405 VanDerWaalsContact C-N 3.27Å; T403-D405 PolarHBondContact O-N 2.99Å; D405-K422 PolarHBondContact O-NZ 2.92Å
406L79.4Confident72.9Confident119 Ų11981.3 Ų81.362%0.62350%0.497SS*.Hα-helixtrans-77.4-17175.4-69.6120.7000114P401 N402 T403 I404P401-L406 HydrophobicContact CB-CD1 4.29Å; P401-L406 HydrophobicContact CG-CD1 4.12Å; N402-L406 WeakPolarHBondContact O-CD1 3.31Å; T403-L406 WeakPolarHBondContact O-CB 3.34Å; T403-L406 PolarHBondContact O-N 3.43Å; T403-L406 VanDerWaalsContact O-N 3.15Å; I404-L406 VanDerWaalsContact C-N 3.3Å; I404-L406 PolarHBondContact O-N 3.26Å
407V75.5Confident73.2Confident68 Ų6882.7 Ų82.741%0.41250%0.495SS..SBendtrans-89.2117.1-177.4-179.90000110.9T403 I404 L409 K422T403-V407 PolarHBondContact O-N 3.36Å; I404-V407 PolarHBondContact O-N 3.3Å; V407-L409 HydrophobicContact CG1-CD2 3.85Å; V407-L409 PolarHBondContact O-N 3.42Å; V407-K422 WeakPolarHBondContact O-CE 3.12Å; V407-K422 PolarHBondContact O-NZ 3.05Å
408D79.3Confident73.8Confident156 Ų15683.1 Ų83.183%0.83451%0.511SS*.  trans-73.8108.7169.4-84.7-13.1000110.4
409L75.6Confident74.1Confident28 Ų2886.7 Ų86.715%0.14752%0.521CS..  trans-83.7133.3-178.3-63.1179.2000111.6V407 V413 I415 K422 G424V407-L409 HydrophobicContact CG1-CD2 3.85Å; V407-L409 PolarHBondContact O-N 3.42Å; L409-V413 HydrophobicContact CD2-CG1 4.11Å; L409-I415 HydrophobicContact CD1-CG1 4.21Å; L409-I415 HydrophobicContact CD2-CB 4.49Å; L409-I415 HydrophobicContact CD2-CD1 3.28Å; L409-I415 HydrophobicContact CD2-CG1 3.54Å; L409-K422 HydrophobicContact CD1-CB 3.68Å; L409-K422 HydrophobicContact CD1-CD 4.13Å; L409-K422 HydrophobicContact CD1-CG 3.68Å; L409-K422 WeakPolarHBondContact CD1-O 3.37Å; L409-K422 HydrophobicContact CG-CD 4.37Å; L409-K422 HydrophobicContact CG-CG 4.4Å; L409-G424 VanDerWaalsContact CB-CA 3.43Å; L409-G424 WeakPolarHBondContact O-CA 3.3Å
410V73.4Confident74.3Confident104 Ų10483.3 Ų83.363%0.6350%0.5SS*.  trans-66.8142.9168.5-178.40000109.6G412 V413 G424V410-G412 PolarHBondContact O-N 3.48Å; V410-V413 HydrophobicContact CB-CG2 4.32Å; V410-V413 WeakPolarHBondContact O-CB 3.43Å; V410-V413 PolarHBondContact O-N 3.39Å; V410-G424 WeakPolarHBondContact O-CA 3.27Å
411A71.9Confident74.8Confident27 Ų2783.3 Ų83.322%0.22350%0.5CS..THydrogen-bonded Turntrans-32.2119.5165.600000113.3G424 L426A411-G424 WeakPolarHBondContact CA-O 3.39Å; A411-L426 HydrophobicContact CB-CB 4.36Å; A411-L426 HydrophobicContact CB-CD2 3.47Å; A411-L426 VanDerWaalsContact CB-CD2 3.47Å; A411-L426 HydrophobicContact CB-CG 3.48Å; A411-L426 VanDerWaalsContact CB-CG 3.48Å
412G75.3Confident75.2Confident69 Ų6981.5 Ų81.571%0.71148%0.483SS*.THydrogen-bonded Turntrans90.3-4.717700000115.8V410 G424V410-G412 PolarHBondContact O-N 3.48Å; G412-G424 PolarHBondContact N-O 3.4Å
413V75.2Confident75.7Confident65 Ų6584.9 Ų84.939%0.39450%0.5SS..  trans-92130.5174.3-177.70000110.3L409 V410 I415 G424L409-V413 HydrophobicContact CD2-CG1 4.11Å; V410-V413 HydrophobicContact CB-CG2 4.32Å; V410-V413 WeakPolarHBondContact O-CB 3.43Å; V410-V413 PolarHBondContact O-N 3.39Å; V413-I415 HydrophobicContact CG1-CG1 4.15Å; V413-G424 PolarHBondContact O-N 3.48Å
414T77.3Confident75.7Confident91 Ų9180.3 Ų80.356%0.55847%0.473SS*.EExtended strand (participates in β ladder)trans-118126.517354.90000110.1K422 I423T414-K422 WeakPolarHBondContact CA-O 3.49Å; T414-I423 HydrophobicContact CG2-CB 4.2Å; T414-I423 HydrophobicContact CG2-CG1 3.79Å; T414-I423 HydrophobicContact CG2-CG2 3.96Å
415I77.4Confident75.2Confident67 Ų6788 Ų8834%0.34451%0.509SS..EExtended strand (participates in β ladder)trans-116.5143.3174.3-52.3-168.5000108.3I404 L409 V413 L421 K422I404-I415 HydrophobicContact CD1-CB 3.73Å; I404-I415 HydrophobicContact CD1-CG2 3.48Å; I404-I415 VanDerWaalsContact CD1-CG2 3.48Å; I404-I415 WeakPolarHBondContact CD1-O 3.32Å; I404-I415 HydrophobicContact CG1-CB 4.13Å; I404-I415 HydrophobicContact CG1-CG2 4.02Å; L409-I415 HydrophobicContact CD1-CG1 4.21Å; L409-I415 HydrophobicContact CD2-CB 4.49Å; L409-I415 HydrophobicContact CD2-CD1 3.28Å; L409-I415 HydrophobicContact CD2-CG1 3.54Å; V413-I415 HydrophobicContact CG1-CG1 4.15Å; I415-L421 WeakPolarHBondContact O-CA 3.27Å; I415-K422 PolarHBondContact N-O 3Å; I415-K422 PolarHBondContact O-N 3.47Å
416S79.8Confident74.4Confident82 Ų8286.5 Ų86.557%0.57350%0.501SS*.EExtended strand (participates in β ladder)trans-136.5138.5171.4690000112.6H420S416-H420 CarbonylContact C-O 3.52Å; S416-H420 WeakPolarHBondContact CA-O 3.28Å
417D75.2Confident73.4Confident101 Ų10189.2 Ų89.254%0.5450%0.503SS..  trans-106.326.6172.1-170.326.9000111.9E419 H420D417-E419 PolarHBondContact O-N 2.97Å; D417-H420 PolarHBondContact N-O 3.06Å
418G73.1Confident72.6Confident78 Ų7892.6 Ų92.680%0.80452%0.518SS*.SBendtrans77.7-44.3-175.600000114.6
419E71.3Confident71.6Confident179 Ų17992.3 Ų92.384%0.83651%0.512SS*.SBendtrans-95.7-25.3176.5-65.2-174173.200112.9D417D417-E419 PolarHBondContact O-N 2.97Å
420H69.9Low70.7Confident77 Ų7795 Ų9536%0.35652%0.524SS..  trans-125.2142.3-176.5-63.4-101.8000111N402 I404 S416 D417N402-H420 PolarHBondContact ND2-CD2 3.26Å; N402-H420 PolarHBondContact ND2-NE2 2.9Å; I404-H420 HydrophobicContact CG2-CB 3.76Å; S416-H420 CarbonylContact C-O 3.52Å; S416-H420 WeakPolarHBondContact CA-O 3.28Å; D417-H420 PolarHBondContact N-O 3.06Å
421L75.8Confident69.8Low120 Ų12094.8 Ų94.863%0.62852%0.515SS*.EExtended strand (participates in β ladder)trans-128.3125.8175.2177.476.5000108.4I415 I423I415-L421 WeakPolarHBondContact O-CA 3.27Å; L421-I423 HydrophobicContact CD2-CD1 4.17Å; L421-I423 HydrophobicContact CD2-CG1 4.4Å; L421-I423 HydrophobicContact CG-CG1 4.31Å
422K76.9Confident69.1Low50 Ų5097.2 Ų97.222%0.21753%0.527CS..EExtended strand (participates in β ladder)trans-122.4135.7172.9-164.1179.5-178.3-178.80109.3I404 D405 V407 L409 T414 I415I404-K422 HydrophobicContact CD1-CB 4.47Å; I404-K422 HydrophobicContact CG1-CB 3.97Å; I404-K422 WeakPolarHBondContact O-CD 3.39Å; D405-K422 PolarHBondContact O-NZ 2.92Å; V407-K422 WeakPolarHBondContact O-CE 3.12Å; V407-K422 PolarHBondContact O-NZ 3.05Å; L409-K422 HydrophobicContact CD1-CB 3.68Å; L409-K422 HydrophobicContact CD1-CD 4.13Å; L409-K422 HydrophobicContact CD1-CG 3.68Å; L409-K422 WeakPolarHBondContact CD1-O 3.37Å; L409-K422 HydrophobicContact CG-CD 4.37Å; L409-K422 HydrophobicContact CG-CG 4.4Å; T414-K422 WeakPolarHBondContact CA-O 3.49Å; I415-K422 PolarHBondContact N-O 3Å; I415-K422 PolarHBondContact O-N 3.47Å
423I80.6Confident68.2Low102 Ų102102.9 Ų102.952%0.52353%0.528SS..EExtended strand (participates in β ladder)trans-120.9124.4-176-56.7169.8000107.4T414 L421 Q425T414-I423 HydrophobicContact CG2-CB 4.2Å; T414-I423 HydrophobicContact CG2-CG1 3.79Å; T414-I423 HydrophobicContact CG2-CG2 3.96Å; L421-I423 HydrophobicContact CD2-CD1 4.17Å; L421-I423 HydrophobicContact CD2-CG1 4.4Å; L421-I423 HydrophobicContact CG-CG1 4.31Å; I423-Q425 PolarHBondContact O-N 3.16Å
424G75.6Confident67.5Low6 Ų6104 Ų1046%0.06253%0.531CS..PPolyproline II helixtrans-68.4116.1175.100000110.9L409 V410 A411 G412 V413L409-G424 VanDerWaalsContact CB-CA 3.43Å; L409-G424 WeakPolarHBondContact O-CA 3.3Å; V410-G424 WeakPolarHBondContact O-CA 3.27Å; A411-G424 WeakPolarHBondContact CA-O 3.39Å; G412-G424 PolarHBondContact N-O 3.4Å; V413-G424 PolarHBondContact O-N 3.48Å
425Q67.3Low66.6Low171 Ų171105.8 Ų105.880%0.79954%0.536SS*.PPolyproline II helixtrans-88.6128.7-172.8-143.4142.128.200110.3I423 R427I423-Q425 PolarHBondContact O-N 3.16Å; Q425-R427 PolarHBondContact O-N 3.2Å
426L57Low65.7Low57 Ų57108.8 Ų108.830%0.29855%0.553SS.*PPolyproline II helixtrans-63.7118.4169.7-87.1154.2000108.7A411 Q430 F431 I434A411-L426 HydrophobicContact CB-CB 4.36Å; A411-L426 HydrophobicContact CB-CD2 3.47Å; A411-L426 VanDerWaalsContact CB-CD2 3.47Å; A411-L426 HydrophobicContact CB-CG 3.48Å; A411-L426 VanDerWaalsContact CB-CG 3.48Å; L426-Q430 HydrophobicContact CD2-CB 3.85Å; L426-F431 HydrophobicContact CB-CD2 3.55Å; L426-F431 HydrophobicContact CB-CE2 3.69Å; L426-F431 HydrophobicContact CD1-CD2 3.76Å; L426-F431 HydrophobicContact CD1-CE2 3.3Å; L426-F431 HydrophobicContact CD1-CZ 3.86Å; L426-F431 HydrophobicContact CD2-CD2 4.3Å; L426-F431 HydrophobicContact CG-CD2 4.04Å; L426-F431 HydrophobicContact CG-CE2 4.01Å; L426-I434 HydrophobicContact CD2-CD1 4.15Å
427R59.1Low64.7Low176 Ų176108.3 Ų108.366%0.66455%0.547SS*.PPolyproline II helixtrans-68.3137.9163.4-75.1-167.9-90.4-179.4-8.4107.8Q425 E429 Q430 F431Q425-R427 PolarHBondContact O-N 3.2Å; R427-E429 PolarHBondContact O-N 3.04Å; R427-Q430 WeakPolarHBondContact O-CB 3.5Å; R427-Q430 PolarHBondContact O-N 2.94Å; R427-F431 PolarHBondContact O-N 3.39Å
428N57.8Low63.4Low138 Ų138107.9 Ų107.974%0.73854%0.544SS*.Hα-helixtrans-48.6-34.1-178.1-72.2-16.8000112.9Q430 F431 T432N428-Q430 VanDerWaalsContact C-N 3.34Å; N428-Q430 PolarHBondContact O-N 3.19Å; N428-F431 VanDerWaalsContact O-CB 3.31Å; N428-F431 WeakPolarHBondContact O-CB 3.45Å; N428-F431 PolarHBondContact O-N 3.07Å; N428-T432 PolarHBondContact O-N 3.21Å; N428-T432 VanDerWaalsContact O-N 3.15Å; N428-T432 PolarHBondContact O-OG1 3.23Å
429E58.8Low62.9Low150 Ų150112.2 Ų112.270%0.70154%0.537SS*.Hα-helixtrans-61.6-35.9177.3-58.7175.5-157.400113.5R427 Y433R427-E429 PolarHBondContact O-N 3.04Å; E429-Y433 PolarHBondContact O-N 3.41Å
430Q56.5Low62.4Low84 Ų84110.5 Ų110.539%0.39353%0.533SS..Hα-helixtrans-73.9-34.1175.8-66.8178.1-25.800111.4L426 R427 N428 T432 Y433 I434L426-Q430 HydrophobicContact CD2-CB 3.85Å; R427-Q430 WeakPolarHBondContact O-CB 3.5Å; R427-Q430 PolarHBondContact O-N 2.94Å; N428-Q430 VanDerWaalsContact C-N 3.34Å; N428-Q430 PolarHBondContact O-N 3.19Å; Q430-T432 VanDerWaalsContact C-N 3.33Å; Q430-T432 PolarHBondContact O-N 3.15Å; Q430-Y433 PolarHBondContact O-N 3.14Å; Q430-I434 WeakPolarHBondContact O-CG1 3.4Å; Q430-I434 PolarHBondContact O-N 3.27Å
431F54.3Low61.8Low101 Ų101112.8 Ų112.844%0.44355%0.548SS..Hα-helixtrans-60.6-42.9174.4-117.6-71.3000111.4L426 R427 N428 Y433 I434 L435L426-F431 HydrophobicContact CB-CD2 3.55Å; L426-F431 HydrophobicContact CB-CE2 3.69Å; L426-F431 HydrophobicContact CD1-CD2 3.76Å; L426-F431 HydrophobicContact CD1-CE2 3.3Å; L426-F431 HydrophobicContact CD1-CZ 3.86Å; L426-F431 HydrophobicContact CD2-CD2 4.3Å; L426-F431 HydrophobicContact CG-CD2 4.04Å; L426-F431 HydrophobicContact CG-CE2 4.01Å; R427-F431 PolarHBondContact O-N 3.39Å; N428-F431 VanDerWaalsContact O-CB 3.31Å; N428-F431 WeakPolarHBondContact O-CB 3.45Å; N428-F431 PolarHBondContact O-N 3.07Å; F431-Y433 VanDerWaalsContact C-N 3.34Å; F431-Y433 PolarHBondContact O-N 3.2Å; F431-I434 PolarHBondContact O-N 3.12Å; F431-L435 HydrophobicContact CD1-CD1 4.33Å; F431-L435 WeakPolarHBondContact O-CG 3.15Å; F431-L435 PolarHBondContact O-N 2.93Å
432T56.7Low60.7Low77 Ų77113.1 Ų113.147%0.47255%0.55SS..Hα-helixtrans-65.6-36.7-180-30.70000112.2N428 Q430 L435 N436N428-T432 PolarHBondContact O-N 3.21Å; N428-T432 VanDerWaalsContact O-N 3.15Å; N428-T432 PolarHBondContact O-OG1 3.23Å; Q430-T432 VanDerWaalsContact C-N 3.33Å; Q430-T432 PolarHBondContact O-N 3.15Å; T432-L435 PolarHBondContact O-N 2.9Å; T432-N436 VanDerWaalsContact O-CB 3.31Å; T432-N436 WeakPolarHBondContact O-CB 3.28Å; T432-N436 PolarHBondContact O-N 3.42Å
433Y57Low59.7Low188 Ų188118.1 Ų118.174%0.73758%0.579SS**Hα-helixtrans-66.2-41.1175.5-97.9-80.9000112.6E429 Q430 F431 L435 N436 T437E429-Y433 PolarHBondContact O-N 3.41Å; Q430-Y433 PolarHBondContact O-N 3.14Å; F431-Y433 VanDerWaalsContact C-N 3.34Å; F431-Y433 PolarHBondContact O-N 3.2Å; Y433-L435 VanDerWaalsContact C-N 3.35Å; Y433-N436 PolarHBondContact O-N 3.18Å; Y433-T437 PolarHBondContact O-N 3.46Å; Y433-T437 VanDerWaalsContact O-N 3.12Å; Y433-T437 PolarHBondContact O-OG1 3.37Å
434I60.7Low58.4Low90 Ų90122.2 Ų122.246%0.46260%0.596SS.*Hα-helixtrans-70.1-32.2178.7-65.1167.1000111.8L426 Q430 F431 T437L426-I434 HydrophobicContact CD2-CD1 4.15Å; Q430-I434 WeakPolarHBondContact O-CG1 3.4Å; Q430-I434 PolarHBondContact O-N 3.27Å; F431-I434 PolarHBondContact O-N 3.12Å; I434-T437 PolarHBondContact O-OG1 3.23Å
435L58.2Low57.5Low128 Ų128129.1 Ų129.167%0.6763%0.63SS**Hα-helixtrans-75.8-29.3174.9-69.6173.7000112.6F431 T432 Y433F431-L435 HydrophobicContact CD1-CD1 4.33Å; F431-L435 WeakPolarHBondContact O-CG 3.15Å; F431-L435 PolarHBondContact O-N 2.93Å; T432-L435 PolarHBondContact O-N 2.9Å; Y433-L435 VanDerWaalsContact C-N 3.35Å
436N58.9Low57.2Low130 Ų130125.8 Ų125.870%0.69562%0.623SS**Hα-helixtrans-88.5-7179.7-76.7-8000114.3T432 Y433 N438T432-N436 VanDerWaalsContact O-CB 3.31Å; T432-N436 WeakPolarHBondContact O-CB 3.28Å; T432-N436 PolarHBondContact O-N 3.42Å; Y433-N436 PolarHBondContact O-N 3.18Å; N436-N438 PolarHBondContact O-N 3.3Å
437T57.6Low57.3Low72 Ų72128.9 Ų128.944%0.44265%0.646SS.*SBendtrans-64.9118.8171.127.20000110Y433 I434 W439Y433-T437 PolarHBondContact O-N 3.46Å; Y433-T437 VanDerWaalsContact O-N 3.12Å; Y433-T437 PolarHBondContact O-OG1 3.37Å; I434-T437 PolarHBondContact O-OG1 3.23Å; T437-W439 PolarHBondContact O-N 3.27Å; T437-W439 PolarHBondContact O-NE1 3.06Å
438N48.8Very low57.2Low91 Ų91127.1 Ų127.149%0.48766%0.655SS.*  trans-65.9101.6172.7-17624.9000108.9N436 N440 D441N436-N438 PolarHBondContact O-N 3.3Å; N438-N440 PolarHBondContact O-N 3.08Å; N438-N440 WeakPolarHBondContact OD1-CB 3.38Å; N438-N440 PolarHBondContact OD1-N 3.42Å; N438-N440 PolarHBondContact OD1-ND2 3.43Å; N438-D441 PolarHBondContact ND2-OD2 3.11Å
439W62.1Low56.9Low170 Ų170129.9 Ų129.964%0.64466%0.66SS**G310 helixtrans-74.5-5.5178-67.898000113.4T437 D441 L442T437-W439 PolarHBondContact O-N 3.27Å; T437-W439 PolarHBondContact O-NE1 3.06Å; W439-D441 VanDerWaalsContact C-N 3.3Å; W439-D441 PolarHBondContact O-N 3.33Å; W439-L442 HydrophobicContact CE3-CD1 3.74Å; W439-L442 HydrophobicContact CZ3-CD1 4.08Å
440N61Low56.8Low142 Ų142127.5 Ų127.576%0.75967%0.666SS**G310 helixtrans-77.6-10.7-174.5-60.1-49.7000114.2N438N438-N440 PolarHBondContact O-N 3.08Å; N438-N440 WeakPolarHBondContact OD1-CB 3.38Å; N438-N440 PolarHBondContact OD1-N 3.42Å; N438-N440 PolarHBondContact OD1-ND2 3.43Å
441D58.3Low56.6Low126 Ų126134.5 Ų134.567%0.67471%0.706SS**G310 helixtrans-94.611.5-178.4-60.7-37.3000113.4N438 W439 D443N438-D441 PolarHBondContact ND2-OD2 3.11Å; W439-D441 VanDerWaalsContact C-N 3.3Å; W439-D441 PolarHBondContact O-N 3.33Å; D441-D443 PolarHBondContact O-N 3.25Å
442L52Low56.7Low126 Ų126136.2 Ų136.266%0.6672%0.72SS**  trans-85.3101171.8-78165.4000109.5W439 E444W439-L442 HydrophobicContact CE3-CD1 3.74Å; W439-L442 HydrophobicContact CZ3-CD1 4.08Å; L442-E444 PolarHBondContact O-N 2.98Å
443D56.6Low56.7Low156 Ų156139.3 Ų139.383%0.83473%0.733SS**  trans-49.6125.9170.8-75.3-36.5000111D441 I445D441-D443 PolarHBondContact O-N 3.25Å; D443-I445 PolarHBondContact O-N 3.23Å; D443-I445 VanDerWaalsContact O-N 3.15Å
444E52.9Low56.7Low187 Ų187136.6 Ų136.687%0.87473%0.732SS**  trans-66.4109.8177.5-162.9174.7-159.800109.2L442 P446L442-E444 PolarHBondContact O-N 2.98Å; E444-P446 WeakPolarHBondContact O-CD 3.27Å
445I56.2Low56.5Low152 Ų152139.4 Ų139.478%0.77975%0.748SS**PPolyproline II helixtrans-64120.7176.5-58.4171.7000108.1D443D443-I445 PolarHBondContact O-N 3.23Å; D443-I445 VanDerWaalsContact O-N 3.15Å
446P61.7Low56.4Low101 Ų101140.1 Ų140.166%0.65675%0.753SS**PPolyproline II helixtrans-66143.1-178.824.5-31.9000111.2E444 V448E444-P446 WeakPolarHBondContact O-CD 3.27Å; P446-V448 PolarHBondContact O-N 3.11Å
447P57.9Low56.2Low121 Ų121140.7 Ų140.779%0.78676%0.757SS**PPolyproline II helixtrans-65.9126.7-17925.6-32.7000110.9K449P447-K449 PolarHBondContact O-N 2.81Å
448V57.2Low56.1Low140 Ų140145.6 Ų145.685%0.84878%0.779SS**  trans-64.1113.8169.5178.40000108.2P446 A450P446-V448 PolarHBondContact O-N 3.11Å; V448-A450 PolarHBondContact O-N 3.29Å
449K52.4Low56.7Low196 Ų196149.8 Ų149.885%0.85280%0.802SS**  trans-65.1115.4168.5-72.1-178.2179178.30108.4P447 N451P447-K449 PolarHBondContact O-N 2.81Å; K449-N451 PolarHBondContact O-N 3.06Å
450A55.1Low56.2Low99 Ų99148.2 Ų148.282%0.81882%0.815SS**  trans-68124.6165.500000108.9V448V448-A450 PolarHBondContact O-N 3.29Å
451N53.3Low55.8Low232 Ų232148.7 Ų148.7100%1.24182%0.82SS**  trans-950160.1-91.4-7.2000109.4K449K449-N451 PolarHBondContact O-N 3.06Å

Retrieved 451 of 451 residues in 437.9 ms (Link to these results)