A0A096NMH6_PAPAN Loading...

Sperm equatorial segment protein 1

Involved in fertilization ability of sperm.

AlphaFold DB , UniProt , Accession A0A096NMH6, Species PAPAN (Papio anubis, Olive baboon), Gene SPESP1, Length 352 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
1M52.7Low60.2Low200 Ų200116.5 Ų116.599%0.98563%0.632SS**  0-37.20-62-145.7-90.500113.1S3 L4 V5M1-S3 PolarHBondContact O-N 3.08Å; M1-L4 PolarHBondContact O-N 3.26Å; M1-V5 WeakPolarHBondContact O-CG2 3.39Å; M1-V5 PolarHBondContact O-N 3.31Å
2K46.5Very low59.9Low187 Ų187118.4 Ų118.481%0.81364%0.64SS**Hα-helixtrans-65.2-33.9-179.3-58.9177.4-179.1-179.10114.6L6K2-L6 PolarHBondContact O-N 2.93Å
3S54.6Low59.3Low92 Ų92126.3 Ų126.364%0.64366%0.655SS**Hα-helixtrans-73.8-29.2179.944.30000114.4M1 L7M1-S3 PolarHBondContact O-N 3.08Å; S3-L7 WeakPolarHBondContact O-CB 3.46Å; S3-L7 PolarHBondContact O-N 3.43Å
4L59.5Low58.3Low119 Ų119124.6 Ų124.662%0.62366%0.659SS**Hα-helixtrans-73.9-37.7175-90.2159.2000111.7M1 L6 L7 V8M1-L4 PolarHBondContact O-N 3.26Å; L4-L6 VanDerWaalsContact C-N 3.33Å; L4-L7 PolarHBondContact O-N 3.04Å; L4-V8 VanDerWaalsContact O-CG2 3.29Å; L4-V8 WeakPolarHBondContact O-CG2 3.46Å; L4-V8 PolarHBondContact O-N 3.37Å
5V67.4Low57.5Low104 Ų104123.5 Ų123.563%0.6367%0.666SS**Hα-helixtrans-65.1-38.9175.8177.50000111M1 A9M1-V5 WeakPolarHBondContact O-CG2 3.39Å; M1-V5 PolarHBondContact O-N 3.31Å; V5-A9 VanDerWaalsContact O-CB 3.25Å; V5-A9 WeakPolarHBondContact O-CB 3.39Å; V5-A9 PolarHBondContact O-N 3.32Å
6L63.5Low56.9Low111 Ų111122.9 Ų122.958%0.58167%0.674SS**Hα-helixtrans-66.5-38.3175.6-114.1156.3000112.6K2 L4 A9 L10K2-L6 PolarHBondContact O-N 2.93Å; L4-L6 VanDerWaalsContact C-N 3.33Å; L6-A9 PolarHBondContact O-N 2.98Å; L6-L10 HydrophobicContact CD2-CD1 4.08Å; L6-L10 WeakPolarHBondContact O-CB 3.2Å; L6-L10 WeakPolarHBondContact O-CD1 2.87Å; L6-L10 WeakPolarHBondContact O-CG 3.49Å; L6-L10 PolarHBondContact O-N 3.25Å
7L61.4Low56.1Low100 Ų100122.9 Ų122.952%0.52468%0.678SS.*Hα-helixtrans-71.8-38.6178.4-165.4127.9000112S3 L4 L10 L11S3-L7 WeakPolarHBondContact O-CB 3.46Å; S3-L7 PolarHBondContact O-N 3.43Å; L4-L7 PolarHBondContact O-N 3.04Å; L7-L10 PolarHBondContact O-N 3.22Å; L7-L11 HydrophobicContact CD2-CD1 3.63Å; L7-L11 HydrophobicContact CG-CD1 4.29Å; L7-L11 WeakPolarHBondContact O-CB 3.04Å; L7-L11 WeakPolarHBondContact O-CD1 3.18Å; L7-L11 VanDerWaalsContact O-CG 3.28Å; L7-L11 WeakPolarHBondContact O-CG 3.46Å; L7-L11 PolarHBondContact O-N 2.86Å
8V67.1Low55.3Low79 Ų79121.9 Ų121.948%0.47968%0.679SS.*Hα-helixtrans-67.1-40.5172.7172.90000110.9L4 L11 L12L4-V8 VanDerWaalsContact O-CG2 3.29Å; L4-V8 WeakPolarHBondContact O-CG2 3.46Å; L4-V8 PolarHBondContact O-N 3.37Å; V8-L11 PolarHBondContact O-N 3.3Å; V8-L12 HydrophobicContact CG1-CD1 3.84Å; V8-L12 WeakPolarHBondContact O-CD1 3.16Å; V8-L12 PolarHBondContact O-N 3.44Å
9A66.3Low54.7Low50 Ų50120.3 Ų120.341%0.41368%0.682SS.*Hα-helixtrans-63.5-43.917500000111.8V5 L6 L12 W13V5-A9 VanDerWaalsContact O-CB 3.25Å; V5-A9 WeakPolarHBondContact O-CB 3.39Å; V5-A9 PolarHBondContact O-N 3.32Å; L6-A9 PolarHBondContact O-N 2.98Å; A9-L12 PolarHBondContact O-N 3.05Å; A9-W13 VanDerWaalsContact O-CB 3.23Å; A9-W13 WeakPolarHBondContact O-CB 3.1Å; A9-W13 PolarHBondContact O-N 3.47Å
10L62Low54Low110 Ų110125.1 Ų125.158%0.57669%0.69SS**Hα-helixtrans-67.1-34.6177.6-83.6157.4000113.2L6 L7 S14L6-L10 HydrophobicContact CD2-CD1 4.08Å; L6-L10 WeakPolarHBondContact O-CB 3.2Å; L6-L10 WeakPolarHBondContact O-CD1 2.87Å; L6-L10 WeakPolarHBondContact O-CG 3.49Å; L6-L10 PolarHBondContact O-N 3.25Å; L7-L10 PolarHBondContact O-N 3.22Å; L10-S14 PolarHBondContact O-OG 3.41Å
11L60.9Low53.4Low130 Ų130124 Ų12468%0.68169%0.689SS**Hα-helixtrans-73-32.5175.6-76.1166000112.7L7 V8L7-L11 HydrophobicContact CD2-CD1 3.63Å; L7-L11 HydrophobicContact CG-CD1 4.29Å; L7-L11 WeakPolarHBondContact O-CB 3.04Å; L7-L11 WeakPolarHBondContact O-CD1 3.18Å; L7-L11 VanDerWaalsContact O-CG 3.28Å; L7-L11 WeakPolarHBondContact O-CG 3.46Å; L7-L11 PolarHBondContact O-N 2.86Å; V8-L11 PolarHBondContact O-N 3.3Å
12L57.2Low53Low139 Ų139119.4 Ų119.473%0.72868%0.677SS**Hα-helixtrans-81.7-17.6173.3-9085.2000113.5V8 A9V8-L12 HydrophobicContact CG1-CD1 3.84Å; V8-L12 WeakPolarHBondContact O-CD1 3.16Å; V8-L12 PolarHBondContact O-N 3.44Å; A9-L12 PolarHBondContact O-N 3.05Å
13W51.5Low53.3Low221 Ų221117.6 Ų117.684%0.83767%0.674SS**G310 helixtrans-83.4-12.8-175.1-157.4-87000114.5A9 S15A9-W13 VanDerWaalsContact O-CB 3.23Å; A9-W13 WeakPolarHBondContact O-CB 3.1Å; A9-W13 PolarHBondContact O-N 3.47Å; W13-S15 PolarHBondContact O-N 3.4Å
14S45.8Very low53Low102 Ų102119.5 Ų119.571%0.71368%0.682SS**G310 helixtrans-93.513.3-171.7-60.70000115.6L10L10-S14 PolarHBondContact O-OG 3.41Å
15S46.7Very low52.9Low109 Ų109116.8 Ų116.876%0.76267%0.67SS**G310 helixtrans-113.26.8-177.4-169.60000115.8W13W13-S15 PolarHBondContact O-N 3.4Å
16S46.8Very low52.8Low114 Ų114114.4 Ų114.480%0.79766%0.658SS**  trans-109.860.7176.5-138.20000111.2
17V44.3Very low52.9Low123 Ų123113.8 Ų113.875%0.74566%0.661SS**  trans-84.9117.2152.3177.70000104.8A19V17-A19 PolarHBondContact O-N 2.95Å
18P41.3Very low53.3Low105 Ų105114.8 Ų114.868%0.68267%0.667SS**  trans-62.7109.4166.5-7.422.3000105.7Y20P18-Y20 PolarHBondContact O-N 2.87Å
19A44.1Very low53.6Low90 Ų90116.7 Ų116.774%0.74467%0.671SS**  trans-55116.6157.400000105.5V17V17-A19 PolarHBondContact O-N 2.95Å
20Y39.7Very low54Low216 Ų216119.7 Ų119.785%0.84768%0.676SS**  trans-45.7126.6171.7-91.6-98.7000108.3P18 S22P18-Y20 PolarHBondContact O-N 2.87Å; Y20-S22 PolarHBondContact O-N 3.48Å
21P41.4Very low54.7Low104 Ų104121.3 Ų121.368%0.67568%0.681SS**  trans-63.1115.216826.1-29000105.7I23P21-I23 VanDerWaalsContact C-N 3.33Å; P21-I23 PolarHBondContact O-N 3.41Å
22S45.2Very low55.6Low102 Ų102119 Ų11971%0.71367%0.669SS**  trans-57.3107.6161.8-28.90000104.5Y20 T24Y20-S22 PolarHBondContact O-N 3.48Å; S22-T24 PolarHBondContact O-N 2.89Å; S22-T24 PolarHBondContact O-OG1 3.34Å
23I51.7Low56.8Low150 Ų150117.3 Ų117.377%0.76966%0.66SS**  trans-5894.3177.4-77.1160.2000106.4P21 V25P21-I23 VanDerWaalsContact C-N 3.33Å; P21-I23 PolarHBondContact O-N 3.41Å; I23-V25 VanDerWaalsContact C-N 3.29Å; I23-V25 HydrophobicContact CG2-CG2 3.32Å; I23-V25 PolarHBondContact O-N 3.12Å
24T49.1Very low58.2Low131 Ų131110.9 Ų110.980%0.80464%0.642SS**  trans-90.284.7168.214.80000103S22 S26S22-T24 PolarHBondContact O-N 2.89Å; S22-T24 PolarHBondContact O-OG1 3.34Å; T24-S26 PolarHBondContact O-N 3.37Å
25V58.2Low60Low62 Ų62111.1 Ų111.138%0.37663%0.632SS.*  trans-58.3122.7173.4-171.30000106.3I23 E29 E30I23-V25 VanDerWaalsContact C-N 3.29Å; I23-V25 HydrophobicContact CG2-CG2 3.32Å; I23-V25 PolarHBondContact O-N 3.12Å; V25-E29 HydrophobicContact CG1-CB 3.63Å; V25-E30 HydrophobicContact CG1-CB 3.82Å
26S64.1Low61.7Low54 Ų54112.4 Ų112.438%0.37862%0.621SS.*  trans-63.5144.1170.5-178.60000108.5T24 D28 E29 E30T24-S26 PolarHBondContact O-N 3.37Å; S26-D28 PolarHBondContact O-N 3.32Å; S26-E29 WeakPolarHBondContact O-CB 3.35Å; S26-E29 PolarHBondContact O-N 2.92Å; S26-E30 PolarHBondContact O-N 2.83Å; S26-E30 VanDerWaalsContact O-N 3.13Å
27P66.8Low63.7Low98 Ų98111.1 Ų111.164%0.63660%0.604SS**Hα-helixtrans-50.9-32.5179.5-26.433.7000113.6E30 Q31P27-E30 PolarHBondContact O-N 3.23Å; P27-Q31 PolarHBondContact O-N 3.26Å
28D68.9Low65.5Low121 Ų121110.8 Ų110.865%0.64760%0.595SS**Hα-helixtrans-70.2-34.6177.5-60.2-30.9000112.8S26 N32S26-D28 PolarHBondContact O-N 3.32Å; D28-N32 WeakPolarHBondContact O-CB 3.38Å; D28-N32 PolarHBondContact O-N 2.91Å
29E73.2Confident67.5Low120 Ų120109.2 Ų109.256%0.56158%0.583SS**Hα-helixtrans-73.8-34.5176.3-71178.9162.600111.5V25 S26 N32 L33V25-E29 HydrophobicContact CG1-CB 3.63Å; S26-E29 WeakPolarHBondContact O-CB 3.35Å; S26-E29 PolarHBondContact O-N 2.92Å; E29-N32 PolarHBondContact O-N 3.18Å; E29-L33 VanDerWaalsContact O-CB 3.3Å; E29-L33 WeakPolarHBondContact O-CB 3.24Å; E29-L33 PolarHBondContact O-N 3.39Å
30E75.1Confident69.2Low113 Ų113110 Ų11053%0.52857%0.574SS.*Hα-helixtrans-68-40.2174.8-169176.9174.600110.9V25 S26 P27 L33 N34V25-E30 HydrophobicContact CG1-CB 3.82Å; S26-E30 PolarHBondContact O-N 2.83Å; S26-E30 VanDerWaalsContact O-N 3.13Å; P27-E30 PolarHBondContact O-N 3.23Å; E30-L33 PolarHBondContact O-N 3.45Å; E30-N34 WeakPolarHBondContact O-CB 3.23Å; E30-N34 VanDerWaalsContact O-CG 3.29Å; E30-N34 PolarHBondContact O-N 2.83Å; E30-N34 PolarHBondContact O-ND2 2.9Å; E30-N34 VanDerWaalsContact O-ND2 3.17Å
31Q76.9Confident71.2Confident143 Ų143105.3 Ų105.367%0.66856%0.56SS**Hα-helixtrans-66.1-40.2175-171.3170.8-0.900111.8P27 N34 H35P27-Q31 PolarHBondContact O-N 3.26Å; Q31-N34 PolarHBondContact O-N 3.1Å; Q31-H35 WeakPolarHBondContact O-CB 3.23Å; Q31-H35 PolarHBondContact O-N 3.31Å
32N79.1Confident72.7Confident83 Ų83104.5 Ų104.544%0.44455%0.55SS..Hα-helixtrans-65.8-43.2175.9-164.520.7000111.4D28 E29 N34 H35 Y36D28-N32 WeakPolarHBondContact O-CB 3.38Å; D28-N32 PolarHBondContact O-N 2.91Å; E29-N32 PolarHBondContact O-N 3.18Å; N32-N34 PolarHBondContact O-N 3.5Å; N32-H35 WeakPolarHBondContact O-CB 2.93Å; N32-H35 PolarHBondContact O-N 3.09Å; N32-Y36 WeakPolarHBondContact O-CD2 3.32Å; N32-Y36 PolarHBondContact O-N 2.81Å; N32-Y36 WeakPolarHBondContact OD1-CE2 3.37Å
33L82.7Confident74.3Confident103 Ų103104.9 Ų104.954%0.53954%0.543SS..Hα-helixtrans-62.8-43176.8-173.565.4000111.7E29 E30 H35 Y36 I37E29-L33 VanDerWaalsContact O-CB 3.3Å; E29-L33 WeakPolarHBondContact O-CB 3.24Å; E29-L33 PolarHBondContact O-N 3.39Å; E30-L33 PolarHBondContact O-N 3.45Å; L33-H35 VanDerWaalsContact C-N 3.31Å; L33-H35 PolarHBondContact O-N 3.43Å; L33-Y36 PolarHBondContact O-N 2.96Å; L33-I37 HydrophobicContact CG-CD1 4.08Å; L33-I37 VanDerWaalsContact O-CG1 3.29Å; L33-I37 WeakPolarHBondContact O-CG1 3.26Å; L33-I37 PolarHBondContact O-N 2.91Å
34N80.9Confident75.3Confident85 Ų85102.9 Ų102.946%0.45554%0.538SS..Hα-helixtrans-63.5-37.6175.8-77.4-32000112E30 Q31 N32 I37 Q38E30-N34 WeakPolarHBondContact O-CB 3.23Å; E30-N34 VanDerWaalsContact O-CG 3.29Å; E30-N34 PolarHBondContact O-N 2.83Å; E30-N34 PolarHBondContact O-ND2 2.9Å; E30-N34 VanDerWaalsContact O-ND2 3.17Å; Q31-N34 PolarHBondContact O-N 3.1Å; N32-N34 PolarHBondContact O-N 3.5Å; N34-I37 PolarHBondContact O-N 3.44Å; N34-Q38 WeakPolarHBondContact O-CB 3.36Å; N34-Q38 PolarHBondContact O-N 3.44Å
35H83.5Confident76.1Confident107 Ų107102.7 Ų102.750%0.49553%0.531SS..Hα-helixtrans-62.1-45.7173.5-176.868.4000111.8Q31 N32 L33 I37 Q38 V39Q31-H35 WeakPolarHBondContact O-CB 3.23Å; Q31-H35 PolarHBondContact O-N 3.31Å; N32-H35 WeakPolarHBondContact O-CB 2.93Å; N32-H35 PolarHBondContact O-N 3.09Å; L33-H35 VanDerWaalsContact C-N 3.31Å; L33-H35 PolarHBondContact O-N 3.43Å; H35-I37 PolarHBondContact O-N 3.01Å; H35-Q38 PolarHBondContact O-N 2.94Å; H35-V39 WeakPolarHBondContact O-CG2 3.38Å; H35-V39 PolarHBondContact O-N 3.16Å
36Y83.6Confident76.2Confident137 Ų137104 Ų10454%0.53754%0.543SS..Hα-helixtrans-63.5-39.7176.3-79.7-67.5000113.1N32 L33 Q38 V39 L40N32-Y36 WeakPolarHBondContact O-CD2 3.32Å; N32-Y36 PolarHBondContact O-N 2.81Å; N32-Y36 WeakPolarHBondContact OD1-CE2 3.37Å; L33-Y36 PolarHBondContact O-N 2.96Å; Y36-Q38 VanDerWaalsContact C-N 3.32Å; Y36-Q38 PolarHBondContact O-N 3.32Å; Y36-V39 PolarHBondContact O-N 3.47Å; Y36-L40 WeakPolarHBondContact O-CB 3.39Å; Y36-L40 PolarHBondContact O-N 3.48Å
37I87.8Confident75.7Confident87 Ų87106 Ų10645%0.44655%0.552SS.*Hα-helixtrans-62.1-42.7175.8-69.3166.9000110.3L33 N34 H35 L40 E41L33-I37 HydrophobicContact CG-CD1 4.08Å; L33-I37 VanDerWaalsContact O-CG1 3.29Å; L33-I37 WeakPolarHBondContact O-CG1 3.26Å; L33-I37 PolarHBondContact O-N 2.91Å; N34-I37 PolarHBondContact O-N 3.44Å; H35-I37 PolarHBondContact O-N 3.01Å; I37-L40 WeakPolarHBondContact O-CB 3.19Å; I37-L40 PolarHBondContact O-N 3.1Å; I37-E41 WeakPolarHBondContact O-CB 3.35Å; I37-E41 PolarHBondContact O-N 3.03Å
38Q81.9Confident74.6Confident116 Ų116106.3 Ų106.354%0.54256%0.555SS.*Hα-helixtrans-68.4-36.6179.5-160.2175.11200112.3N34 H35 Y36 N42N34-Q38 WeakPolarHBondContact O-CB 3.36Å; N34-Q38 PolarHBondContact O-N 3.44Å; H35-Q38 PolarHBondContact O-N 2.94Å; Y36-Q38 VanDerWaalsContact C-N 3.32Å; Y36-Q38 PolarHBondContact O-N 3.32Å; Q38-N42 VanDerWaalsContact O-CB 3.29Å; Q38-N42 WeakPolarHBondContact O-CB 3.14Å; Q38-N42 PolarHBondContact O-N 3.11Å; Q38-N42 PolarHBondContact O-ND2 3.4Å
39V84.4Confident73.6Confident72 Ų72106.2 Ų106.244%0.43656%0.561SS.*Hα-helixtrans-66.3-40.7172.4171.50000111.1H35 Y36 N42 L43H35-V39 WeakPolarHBondContact O-CG2 3.38Å; H35-V39 PolarHBondContact O-N 3.16Å; Y36-V39 PolarHBondContact O-N 3.47Å; V39-N42 PolarHBondContact O-N 3Å; V39-L43 VanDerWaalsContact O-CB 3.25Å; V39-L43 WeakPolarHBondContact O-CB 3.2Å; V39-L43 PolarHBondContact O-N 3.47Å
40L79.9Confident72.3Confident107 Ų107110.2 Ų110.256%0.5658%0.576SS**Hα-helixtrans-64.8-43.1175.6-91.9151.2000112.2Y36 I37 L43 V44Y36-L40 WeakPolarHBondContact O-CB 3.39Å; Y36-L40 PolarHBondContact O-N 3.48Å; I37-L40 WeakPolarHBondContact O-CB 3.19Å; I37-L40 PolarHBondContact O-N 3.1Å; L40-L43 PolarHBondContact O-N 2.86Å; L40-V44 WeakPolarHBondContact O-CG2 3.32Å; L40-V44 PolarHBondContact O-N 2.78Å
41E79.9Confident70.7Confident117 Ų117113.1 Ų113.155%0.54759%0.59SS.*Hα-helixtrans-63.5-45.9175.8-174.1173.5-165.300111I37 L43 V44 L45I37-E41 WeakPolarHBondContact O-CB 3.35Å; I37-E41 PolarHBondContact O-N 3.03Å; E41-L43 VanDerWaalsContact C-N 3.3Å; E41-L43 PolarHBondContact O-N 3.04Å; E41-V44 PolarHBondContact O-N 3.44Å; E41-L45 HydrophobicContact CG-CD1 4.16Å; E41-L45 WeakPolarHBondContact O-CB 3.4Å; E41-L45 WeakPolarHBondContact O-CG 3.37Å; E41-L45 PolarHBondContact O-N 3.37Å
42N73Confident69Low87 Ų87112.3 Ų112.347%0.46560%0.597SS.*Hα-helixtrans-63.4-36174.7-74.3-24.2000112Q38 V39 L45 S46Q38-N42 VanDerWaalsContact O-CB 3.29Å; Q38-N42 WeakPolarHBondContact O-CB 3.14Å; Q38-N42 PolarHBondContact O-N 3.11Å; Q38-N42 PolarHBondContact O-ND2 3.4Å; V39-N42 PolarHBondContact O-N 3Å; N42-L45 PolarHBondContact O-N 2.75Å; N42-S46 WeakPolarHBondContact O-CA 3.17Å; N42-S46 WeakPolarHBondContact O-CB 3.08Å; N42-S46 PolarHBondContact O-N 2.82Å; N42-S46 PolarHBondContact O-OG 3.38Å
43L79.1Confident67.1Low110 Ų110111.6 Ų111.658%0.57661%0.609SS**Hα-helixtrans-66.1-43.3176.8-175.464.1000111.2V39 L40 E41 L45 S46 V47V39-L43 VanDerWaalsContact O-CB 3.25Å; V39-L43 WeakPolarHBondContact O-CB 3.2Å; V39-L43 PolarHBondContact O-N 3.47Å; L40-L43 PolarHBondContact O-N 2.86Å; E41-L43 VanDerWaalsContact C-N 3.3Å; E41-L43 PolarHBondContact O-N 3.04Å; L43-L45 VanDerWaalsContact C-N 3.33Å; L43-L45 PolarHBondContact O-N 3.49Å; L43-S46 PolarHBondContact O-N 3.38Å; L43-V47 VanDerWaalsContact O-CG2 3.29Å; L43-V47 WeakPolarHBondContact O-CG2 3.21Å; L43-V47 PolarHBondContact O-N 3.48Å
44V73.6Confident64.9Low107 Ų107118.4 Ų118.465%0.64863%0.628SS**Hα-helixtrans-64.3-38.1176.5172.10000111.5L40 E41L40-V44 WeakPolarHBondContact O-CG2 3.32Å; L40-V44 PolarHBondContact O-N 2.78Å; E41-V44 PolarHBondContact O-N 3.44Å
45L65.5Low63Low128 Ų128123.2 Ų123.267%0.6765%0.648SS**Hα-helixtrans-78-22.6176.8-66.2173.8000113.4E41 N42 L43E41-L45 HydrophobicContact CG-CD1 4.16Å; E41-L45 WeakPolarHBondContact O-CB 3.4Å; E41-L45 WeakPolarHBondContact O-CG 3.37Å; E41-L45 PolarHBondContact O-N 3.37Å; N42-L45 PolarHBondContact O-N 2.75Å; L43-L45 VanDerWaalsContact C-N 3.33Å; L43-L45 PolarHBondContact O-N 3.49Å
46S60.4Low60.9Low89 Ų89127.6 Ų127.662%0.62267%0.665SS**Hα-helixtrans-91.1-2.4178.9-580000113.4N42 L43 P48N42-S46 WeakPolarHBondContact O-CA 3.17Å; N42-S46 WeakPolarHBondContact O-CB 3.08Å; N42-S46 PolarHBondContact O-N 2.82Å; N42-S46 PolarHBondContact O-OG 3.38Å; L43-S46 PolarHBondContact O-N 3.38Å; S46-P48 WeakPolarHBondContact O-CD 3.36Å
47V53.4Low58.5Low95 Ų95130.8 Ų130.858%0.57668%0.682SS**SBendtrans-74.3112.4167.8-177.90000108.1L43L43-V47 VanDerWaalsContact O-CG2 3.29Å; L43-V47 WeakPolarHBondContact O-CG2 3.21Å; L43-V47 PolarHBondContact O-N 3.48Å
48P43.6Very low56.3Low105 Ų105131.5 Ų131.568%0.68270%0.695SS**  trans-63.4128.7171.6-15.331.6000107.7S46 K50S46-P48 WeakPolarHBondContact O-CD 3.36Å; P48-K50 PolarHBondContact O-N 3.06Å; P48-K50 VanDerWaalsContact O-N 3.1Å
49P48.8Very low53.8Low120 Ų120134.1 Ų134.178%0.77971%0.712SS**  trans-56.8125.4171.823.8-31.5000107.9E51P49-E51 PolarHBondContact O-N 2.82Å
50K45.6Very low51.5Low203 Ų203135.7 Ų135.788%0.88373%0.727SS**  trans-44.7113.1-178.8-177.9172.7179.1169.60110.8P48P48-K50 PolarHBondContact O-N 3.06Å; P48-K50 VanDerWaalsContact O-N 3.1Å
51E40.4Very low49.5Very low175 Ų175136.7 Ų136.782%0.81874%0.74SS**PPolyproline II helixtrans-53.2127.4172.8-105.2176.6153.900110.4P49 G53P49-E51 PolarHBondContact O-N 2.82Å; E51-G53 PolarHBondContact O-N 3.19Å
52P42.8Very low47.3Very low126 Ų126140.7 Ų140.782%0.81876%0.755SS**PPolyproline II helixtrans-67.7117.6166.3-10.325.2000108.1R54P52-R54 PolarHBondContact O-N 3.23Å
53G37.8Very low45.3Very low68 Ų68145.4 Ų145.470%0.70177%0.774SS**PPolyproline II helixtrans-51.9133.6-176.100000113E51 E55E51-G53 PolarHBondContact O-N 3.19Å; G53-E55 PolarHBondContact O-N 2.87Å
54R36Very low43.3Very low245 Ų245144 Ų14493%0.92577%0.77SS**  trans-51.5109.2164.5-87.4-178.6172.9-136.91.4109.8P52 K56P52-R54 PolarHBondContact O-N 3.23Å; R54-K56 PolarHBondContact O-N 3.23Å; R54-K56 VanDerWaalsContact O-N 3.09Å
55E41.1Very low41.4Very low187 Ų187148.4 Ų148.487%0.87478%0.776SS**  trans-63.7107.8161.6-68.2-173.5174.700108.9G53 K57G53-E55 PolarHBondContact O-N 2.87Å; E55-K57 PolarHBondContact O-N 3.37Å
56K39.6Very low39.9Very low199 Ų199148.1 Ų148.187%0.86579%0.785SS**  trans-69.7109.3166.9-71.3177.6-179.1174.40107.5R54 S58R54-K56 PolarHBondContact O-N 3.23Å; R54-K56 VanDerWaalsContact O-N 3.09Å; K56-S58 PolarHBondContact O-N 2.97Å
57K33.8Very low38.6Very low204 Ų204151.1 Ų151.189%0.88779%0.792SS**  trans-51.4127.2169.3-70.9176176.5177.80109.9E55E55-K57 PolarHBondContact O-N 3.37Å
58S41.2Very low37.4Very low102 Ų102151.2 Ų151.271%0.71380%0.803SS**  trans-64.7144.7175.346.10000112K56K56-S58 PolarHBondContact O-N 2.97Å
59N30.9Very low36.9Very low170 Ų170152.1 Ų152.191%0.90981%0.812SS**  trans-115.1103.2152.7-79.4-34.3000106.6
60S35.8Very low36.3Very low106 Ų106156.5 Ų156.574%0.74182%0.818SS**PPolyproline II helixtrans-98.2133.1165.155.90000109.4
61P37.2Very low35.6Very low128 Ų128150.3 Ų150.383%0.83181%0.812SS**PPolyproline II helixtrans-76.6132.6174.6-11.527.6000111.1
62K32.9Very low35.2Very low201 Ų201146.8 Ų146.887%0.87481%0.807SS**PPolyproline II helixtrans-59.5130.8165.7-70.7171.5176.3174.90110.1
63H32Very low34.7Very low185 Ų185150 Ų15086%0.85681%0.808SS**  trans-139.7139.6147.4-164.2-91.3000110.8
64V36.9Very low34.4Very low82 Ų82156.7 Ų156.750%0.49782%0.818SS.*  trans-104.4155.8-165.1-168.10000109.1
65Y33.1Very low34.4Very low199 Ų199154.5 Ų154.578%0.7882%0.815SS**  trans74.5121.7170.8-57.3-77.2000115
66S34.6Very low34Very low121 Ų121153.4 Ų153.485%0.84681%0.811SS**  -163.9160.471-69.60000114.5
67I33.2Very low33.6Very low153 Ų153150.5 Ų150.579%0.78580%0.804SS**  trans-76.3150.2-167.2-70.7155.7000113.2
68A28.2Very low33.5Very low96 Ų96148 Ų14879%0.79380%0.798SS**  trans-1.5137.5159.200000120.6
69S32.8Very low32.9Very low125 Ų125148.1 Ų148.187%0.87480%0.795SS**  trans-150.7123137.9-173.90000111
70K37.6Very low32.9Very low211 Ų211149 Ų14992%0.91779%0.793SS**  trans-85.6144.2170.9-86.8-175.4170.7-179.60109.7
71G29.8Very low32.4Very low73 Ų73146.9 Ų146.975%0.75379%0.789SS**  trans158.1100.1155.300000111.8
72S31.1Very low32.1Very low101 Ų101147.9 Ų147.971%0.70679%0.787SS**  72.894.678.4166.50000114.3
73K33.2Very low31.9Very low195 Ų195145 Ų14585%0.84879%0.786SS**  152121.5116.3-93160.7-174.6-175.10112.3
74F31.4Very low32Very low208 Ų208141 Ų14191%0.91278%0.779SS**  trans-61.3141157.4-89.6-102.8000111
75K35.2Very low31.5Very low198 Ų198141.8 Ų141.886%0.86178%0.784SS**  trans-151.6105.3146.8-150175.2-178.5-173.10110.2
76E32.6Very low31.5Very low165 Ų165139.9 Ų139.977%0.77178%0.782SS**  trans-61146.9159.4179.4179.4-171.200110.4
77L32.3Very low31.6Very low138 Ų138140.8 Ų140.872%0.72378%0.778SS**  trans162.6122.3134.4-86.6161.9000113.9
78I31.2Very low31.5Very low151 Ų151140.6 Ų140.677%0.77478%0.779SS**  trans96.7127.4136.5-57.7160.2000120.9
79T29.9Very low31.6Very low104 Ų104141.3 Ų141.364%0.63877%0.773SS**  trans-78.6165.4177.6-430000115.2
80H29.2Very low31.6Very low188 Ų188142.5 Ų142.587%0.8777%0.768SS**  trans83.7140.4162-62.6-73.7000116.8
81G26.3Very low31.3Very low63 Ų63138.2 Ų138.265%0.64976%0.76SS**  cis173.5152.93.600000110.4
82D30.5Very low31.6Very low149 Ų149142.4 Ų142.480%0.79777%0.765SS**  trans59.8129.9143.8-63.1-16.9000125.9
83T29.9Very low32.2Very low139 Ų139143.3 Ų143.385%0.85377%0.769SS**  trans71.1152.1144.260.60000118.7
84S32.2Very low32.2Very low103 Ų103142 Ų14272%0.7277%0.769SS**  cis178.7162.6-10.8172.10000106.1
85T27.8Very low32.2Very low98 Ų98137.7 Ų137.760%0.60177%0.765SS**  trans101.698.2145.5-53.40000120.8
86E32.2Very low32.2Very low158 Ų158137.2 Ų137.274%0.73877%0.766SS**  83.2150.4117.3100.1-162.1158.500125.9
87N36.8Very low32.2Very low141 Ų141137.9 Ų137.975%0.75477%0.769SS**  trans93.8111.6174-50.9-59.9000115.4
88D31.2Very low32.2Very low149 Ų149136.9 Ų136.980%0.79777%0.769SS**  cis114.4144.729.1-166.424.4000110.6
89V31Very low32Very low110 Ų110135.4 Ų135.467%0.66777%0.767SS**  trans92.194.3161.9-1640000120.3
90L32.5Very low32Very low150 Ų150136.5 Ų136.579%0.78577%0.774SS**  55.8119114.4-134.489.8000120.8
91T32Very low32.4Very low121 Ų121136.8 Ų136.874%0.74277%0.773SS**  147.4122.4117.849.10000114.5
92N34.8Very low33.2Very low162 Ų162139.2 Ų139.287%0.86678%0.777SS**  trans-100.3155.3151.7-88.1-13.4000107.4
93P44.6Very low33.3Very low119 Ų119138 Ų13877%0.77378%0.775SS**  -149.7147.390.628-4.8000114.9
94I33.6Very low33.2Very low168 Ų168134.5 Ų134.586%0.86277%0.767SS**  63.6125.496.7-104163.6000117.1
95S30.5Very low33.2Very low117 Ų117136.4 Ų136.482%0.81877%0.769SS**  trans-162.1122.714163.90000111.1
96E35.9Very low33.5Very low188 Ų188141.3 Ų141.388%0.87978%0.783SS**  trans-85154.7164-61.5-179.4161.400109.9
97E32.8Very low34Very low179 Ų179140.2 Ų140.284%0.83679%0.787SS**  trans166.3110.1130.4-166168-176.400113
98T31.5Very low34.1Very low118 Ų118138.7 Ų138.772%0.72478%0.784SS**  trans37.5130.6133.4-30.90000122.5
99T27.8Very low34.2Very low119 Ų119140.7 Ų140.773%0.7379%0.789SS**  155.6116120.7-63.10000115
100T29.4Very low34.5Very low128 Ų128142.9 Ų142.979%0.78580%0.796SS**  trans58.7125.1136.1-44.70000123.8
101F36.5Very low34.7Very low193 Ų193138.8 Ų138.885%0.84679%0.79SS**  trans-67.5162.6166.4-65.7-85.7000113.5
102P44.2Very low35.3Very low114 Ų114142.7 Ų142.774%0.7480%0.796SS**  -146.5148.498.434.4-16.3000116.7
103T31.8Very low35.8Very low123 Ų123143.6 Ų143.676%0.75579%0.792SS**  trans44.7112135.9-46.90000120.3
104G28.9Very low36.1Very low67 Ų67147.8 Ų147.869%0.69180%0.799SS**  trans-149.399.515900000110
105D31.5Very low36.6Very low143 Ų143148 Ų14877%0.76580%0.795SS**  trans-66.8124.3179-67.6-46.6000111.6
106F34.3Very low37.6Very low201 Ų201151.1 Ų151.188%0.88280%0.799SS**  trans-132.2106.6160.3-79.3-77000110.1
107T41.7Very low38.6Very low134 Ų134150.5 Ų150.582%0.82280%0.796SS**PPolyproline II helixtrans-75.2131.7166.1-26.70000109.3
108P38.8Very low39.8Very low109 Ų109147.1 Ų147.171%0.70879%0.792SS**PPolyproline II helixtrans-100.7118.9154.418.2-1.1000108.9I110P108-I110 PolarHBondContact O-N 3.32Å
109E34.5Very low41.7Very low192 Ų192146.6 Ų146.690%0.89779%0.789SS**PPolyproline II helixtrans-47.6123.6168.1-75.5-180132.200110.7G111E109-G111 PolarHBondContact O-N 2.96Å
110I37.2Very low43.8Very low156 Ų156144 Ų14480%0.878%0.775SS**  trans-64.1102.1170.2-113.975.7000107.7P108 K112P108-I110 PolarHBondContact O-N 3.32Å; I110-K112 PolarHBondContact O-N 3.48Å
111G35.6Very low45.5Very low64 Ų64146.3 Ų146.366%0.6677%0.774SS**  trans-62.4113.9160.900000108.1E109 K113E109-G111 PolarHBondContact O-N 2.96Å; G111-K113 PolarHBondContact O-N 3.06Å
112K45.4Very low46.4Very low202 Ų202145.8 Ų145.888%0.87877%0.767SS**  trans-56.592.7179.3-64.6-178.2-180-179.10110.8I110I110-K112 PolarHBondContact O-N 3.48Å
113K45.3Very low47.3Very low182 Ų182143.1 Ų143.179%0.79175%0.75SS**  trans-77.4118.5160.1-74.2-177.5179.4176.30106.9G111 H115G111-K113 PolarHBondContact O-N 3.06Å; K113-H115 PolarHBondContact O-N 2.89Å
114K50.6Low48.8Very low207 Ų207144.7 Ų144.790%0.975%0.752SS**  trans-60.9105.9168.3-65.4-178.1179.3-178.50106.8M116K114-M116 PolarHBondContact O-N 3.49Å; K114-M116 VanDerWaalsContact O-N 3.13Å
115H43.7Very low50.8Low172 Ų172150.4 Ų150.480%0.79676%0.758SS**  trans-64.3112.4166.8-78.6-84.1000107K113 E117K113-H115 PolarHBondContact O-N 2.89Å; H115-E117 PolarHBondContact O-N 2.89Å
116M53.1Low51.9Low183 Ų183148.9 Ų148.990%0.90176%0.757SS**  trans-79.496.6162.4-163.4151.774.400104.8K114 S118K114-M116 PolarHBondContact O-N 3.49Å; K114-M116 VanDerWaalsContact O-N 3.13Å; M116-S118 VanDerWaalsContact C-N 3.26Å; M116-S118 PolarHBondContact O-N 2.91Å
117E56.7Low53Low174 Ų174145.9 Ų145.981%0.81375%0.749SS**  trans-64.391.4173.4-74.8175171.800108H115 T119H115-E117 PolarHBondContact O-N 2.89Å; E117-T119 VanDerWaalsContact C-N 3.31Å; E117-T119 PolarHBondContact O-N 3.18Å
118S57Low53.9Low108 Ų108147.1 Ų147.176%0.75575%0.751SS**  trans-75.188.4170.9178.20000107.6M116 P120M116-S118 VanDerWaalsContact C-N 3.26Å; M116-S118 PolarHBondContact O-N 2.91Å; S118-P120 WeakPolarHBondContact O-CD 3.32Å
119T70.8Confident54.7Low107 Ų107146.7 Ų146.766%0.65675%0.746SS**  trans-64.3123.3171.9-80000108E117 S123E117-T119 VanDerWaalsContact C-N 3.31Å; E117-T119 PolarHBondContact O-N 3.18Å; T119-S123 WeakPolarHBondContact CB-OG 3.48Å; T119-S123 WeakPolarHBondContact CG2-OG 3.44Å
120P72.4Confident55.5Low65 Ų65142.6 Ų142.642%0.42274%0.739SS.*  trans-59.7151.2178.2-18.628.4000110.8S118 W122 S123S118-P120 WeakPolarHBondContact O-CD 3.32Å; P120-W122 HydrophobicContact CB-CD2 4.38Å; P120-W122 HydrophobicContact CB-CE3 3.34Å; P120-W122 HydrophobicContact CB-CZ3 3.48Å; P120-W122 VanDerWaalsContact CB-CZ3 3.48Å; P120-W122 HydrophobicContact CG-CE3 4.42Å; P120-W122 HydrophobicContact CG-CZ3 4.41Å; P120-W122 PolarHBondContact O-N 3.42Å; P120-S123 VanDerWaalsContact O-CB 3.31Å; P120-S123 WeakPolarHBondContact O-CB 3.46Å; P120-S123 PolarHBondContact O-N 3.21Å; P120-S123 PolarHBondContact O-OG 3.02Å
121F65.7Low56.5Low177 Ų177141.7 Ų141.778%0.77673%0.734SS**THydrogen-bonded Turntrans-64.5-15.4-176.271.7-93.1000114.3
122W55.5Low57.7Low182 Ų182143.5 Ų143.569%0.68973%0.732SS**THydrogen-bonded Turntrans-91.7-0173.6-28-85000113.8P120 I124P120-W122 HydrophobicContact CB-CD2 4.38Å; P120-W122 HydrophobicContact CB-CE3 3.34Å; P120-W122 HydrophobicContact CB-CZ3 3.48Å; P120-W122 VanDerWaalsContact CB-CZ3 3.48Å; P120-W122 HydrophobicContact CG-CE3 4.42Å; P120-W122 HydrophobicContact CG-CZ3 4.41Å; P120-W122 PolarHBondContact O-N 3.42Å; W122-I124 PolarHBondContact O-N 3.46Å
123S63.6Low57.9Low57 Ų57141.3 Ų141.340%0.39973%0.729SS.*  trans-71.4101.4-178.8590000109.7T119 P120 K125T119-S123 WeakPolarHBondContact CB-OG 3.48Å; T119-S123 WeakPolarHBondContact CG2-OG 3.44Å; P120-S123 VanDerWaalsContact O-CB 3.31Å; P120-S123 WeakPolarHBondContact O-CB 3.46Å; P120-S123 PolarHBondContact O-N 3.21Å; P120-S123 PolarHBondContact O-OG 3.02Å; S123-K125 PolarHBondContact O-N 3.4Å
124I62.3Low58.3Low156 Ų156140.5 Ų140.580%0.873%0.728SS**  trans-73.2118.3171.3-61.5167.9000106.6W122 P126W122-I124 PolarHBondContact O-N 3.46Å; I124-P126 WeakPolarHBondContact O-CD 3.37Å
125K71.6Confident58.5Low187 Ų187135.5 Ų135.581%0.81373%0.725SS**  trans-62.6117.8173.9-174.8175.9-178.7179.70107.9S123 N127S123-K125 PolarHBondContact O-N 3.4Å; K125-N127 PolarHBondContact O-N 3.11Å
126P55Low59.2Low112 Ų112136.4 Ų136.473%0.72773%0.73SS**  trans-63.7115.7179.325.1-31.6000108.1I124I124-P126 WeakPolarHBondContact O-CD 3.37Å
127N57.3Low59.3Low137 Ų137136 Ų13673%0.73373%0.726SS**  trans-84.2136.3169.4-1619.5000107.7K125 V129K125-N127 PolarHBondContact O-N 3.11Å; N127-V129 HydrophobicContact CB-CG2 4.2Å; N127-V129 PolarHBondContact O-N 3.15Å
128N59.3Low59Low160 Ų160133.3 Ų133.386%0.85672%0.723SS**  trans-76.748.5-173.9-66.8-32.4000112.4
129V55.5Low58.2Low100 Ų100138.7 Ų138.761%0.60673%0.729SS**  trans-100.7100.7177.8-158.30000107.8N127 I131N127-V129 HydrophobicContact CB-CG2 4.2Å; N127-V129 PolarHBondContact O-N 3.15Å; V129-I131 PolarHBondContact O-N 3.41Å
130S51.2Low57.2Low107 Ų107140.5 Ų140.575%0.74873%0.733SS**  trans-73.1106.3170.659.30000108.5V132S130-V132 PolarHBondContact O-N 3.47Å
131I58.3Low55.9Low137 Ų137145.1 Ų145.170%0.70375%0.749SS**  trans-81.1106.3170.8-57.5172.9000106.7V129 L133V129-I131 PolarHBondContact O-N 3.41Å; I131-L133 HydrophobicContact CG2-CD2 3.92Å; I131-L133 HydrophobicContact CG2-CG 4.37Å; I131-L133 PolarHBondContact O-N 3.22Å
132V60.7Low55.4Low101 Ų101146.5 Ų146.561%0.61275%0.754SS**  trans-79.8104.2167.6177.50000106.4S130 H134S130-V132 PolarHBondContact O-N 3.47Å; V132-H134 PolarHBondContact O-N 3.2Å
133L51.4Low54.7Low156 Ų156146.5 Ų146.582%0.81776%0.762SS**  trans-72.8104.9171.7-65.1174.1000107.9I131 A135I131-L133 HydrophobicContact CG2-CD2 3.92Å; I131-L133 HydrophobicContact CG2-CG 4.37Å; I131-L133 PolarHBondContact O-N 3.22Å; L133-A135 PolarHBondContact O-N 2.82Å
134H53.3Low53.6Low165 Ų165152.4 Ų152.476%0.76478%0.783SS**  trans-77.2111.2164-71.2-78.1000107.5V132 E136V132-H134 PolarHBondContact O-N 3.2Å; H134-E136 PolarHBondContact O-N 3.32Å; H134-E136 VanDerWaalsContact O-N 3.08Å
135A53.8Low52.8Low102 Ų102150.9 Ų150.984%0.84378%0.784SS**  trans-71.797.7165.500000107L133L133-A135 PolarHBondContact O-N 2.82Å
136E59.5Low51.3Low191 Ų191150.9 Ų150.989%0.89379%0.787SS**PPolyproline II helixtrans-64.6139.1170.9-153.6159.3-158.800108.8H134H134-E136 PolarHBondContact O-N 3.32Å; H134-E136 VanDerWaalsContact O-N 3.08Å
137E55.3Low50.6Low175 Ų175151.5 Ų151.582%0.81879%0.791SS**PPolyproline II helixtrans-55.9150.6-165.6-61.4169.1167.700112.9Y139E137-Y139 PolarHBondContact O-N 3.3Å
138P48.8Very low49.6Very low117 Ų117153.9 Ų153.976%0.7680%0.797SS**PPolyproline II helixtrans-62.7127.2176.626.7-32.5000110I140P138-I140 PolarHBondContact O-N 3.36Å
139Y40.3Very low48.7Very low222 Ų222151.7 Ų151.787%0.87179%0.792SS**  trans-58.8102.3171.9-165.1-96.1000109.2E137 E141E137-Y139 PolarHBondContact O-N 3.3Å; Y139-E141 PolarHBondContact O-N 2.84Å
140I49.9Very low47.7Very low145 Ų145156 Ų15674%0.74481%0.805SS**  trans-72.8104.8168.3-64.4166.5000106.2P138 K142P138-I140 PolarHBondContact O-N 3.36Å; I140-K142 PolarHBondContact O-N 3.3Å
141E46.2Very low47Very low162 Ų162156.8 Ų156.876%0.75781%0.808SS**  trans-54.6120.6161.4-173.1165.4-163.500107.5Y139 E143Y139-E141 PolarHBondContact O-N 2.84Å; E141-E143 PolarHBondContact O-N 2.87Å
142K54.3Low45.8Very low205 Ų205157.2 Ų157.289%0.89182%0.817SS**  trans-69.288.5174.8-70177.1-179.1175.70107.7I140I140-K142 PolarHBondContact O-N 3.3Å
143E41.3Very low44.5Very low183 Ų183157.1 Ų157.186%0.85583%0.828SS**PPolyproline II helixtrans-74.6126.6162.7-150.8172.2-162.700107.9E141E141-E143 PolarHBondContact O-N 2.87Å
144E39.6Very low43.6Very low180 Ų180160.9 Ų160.984%0.84183%0.831SS**PPolyproline II helixtrans-53.7143.5171.8-85.4177.7133.900110.8E146E144-E146 PolarHBondContact O-N 3.46Å
145P46.5Very low42.6Very low125 Ų125161.7 Ų161.781%0.81284%0.835SS**PPolyproline II helixtrans-75.7116.2-175.729.9-32000111.2
146E39.7Very low41.3Very low186 Ų186162.7 Ų162.787%0.86983%0.831SS**PPolyproline II helixtrans-70.4140.2156.1-107.7-165.7159.400109.7E144 E148E144-E146 PolarHBondContact O-N 3.46Å; E146-E148 PolarHBondContact O-N 3.36Å
147P41.1Very low40Very low126 Ų126162.5 Ų162.582%0.81883%0.83SS**PPolyproline II helixtrans-78121-171.630.4-32.8000111.9
148E36.5Very low38.7Very low186 Ų186158.2 Ų158.287%0.86983%0.825SS**PPolyproline II helixtrans-69.9154.8165.9-99.9-165174.100112.3E146E146-E148 PolarHBondContact O-N 3.36Å
149P40.2Very low38.3Very low115 Ų115157.5 Ų157.575%0.74782%0.82SS**PPolyproline II helixtrans-77.3154.7-161.832.1-35.3000114.2
150E32.8Very low37.7Very low189 Ų189157.3 Ų157.388%0.88382%0.818SS**  trans-37.1126.2-178.3-61.6178.5157.900116.1
151P36.5Very low36.6Very low124 Ų124158.2 Ų158.281%0.80582%0.821SS**  trans-85.1124.2155.131.1-27.1000109.9A153P151-A153 PolarHBondContact O-N 2.78Å
152T34.3Very low35.8Very low146 Ų146158.2 Ų158.290%0.89683%0.825SS**  trans-57.3114.617026.60000111.6
153A33.6Very low35.5Very low100 Ų100153.3 Ų153.383%0.82681%0.814SS**  trans-160.7135.7152.200000111.8P151P151-A153 PolarHBondContact O-N 2.78Å
154R32.9Very low34.9Very low234 Ų234150.3 Ų150.388%0.88381%0.808SS**  trans-64.6141.4-174.2-58.1167.6175-177.5-3.1112.9
155Q30.7Very low34.5Very low182 Ų182147.6 Ų147.685%0.8580%0.803SS**  trans170.1111.9137.9-92.416155.600108.7
156T27.9Very low33.5Very low123 Ų123147 Ų14776%0.75580%0.798SS**  74109.492.2-550000114.3
157E31.8Very low33.2Very low187 Ų187147.1 Ų147.187%0.87480%0.798SS**  trans76.7127.3151.2-128.9168.7179.100121.2
158A27.6Very low32.7Very low86 Ų86146.4 Ų146.471%0.71180%0.797SS**  trans-74.1-175.5168.200000110.5
159P40.3Very low32.3Very low102 Ų102142.8 Ų142.866%0.66279%0.791SS**  cis-152.5-174.411.746-25000118
160R28.9Very low31.6Very low217 Ų217143.3 Ų143.382%0.81979%0.793SS**  trans94.3119.6140.4-83.1174.3-163.9177.74.6122.9
161M26.7Very low31.3Very low165 Ų165139.3 Ų139.381%0.81379%0.786SS**  94.997.5128-66.9174.38300121.5
162L28.7Very low32.2Very low162 Ų162138.5 Ų138.585%0.84878%0.78SS**  -5.4173.3120.3-78-178.9000119
163P47.9Very low31.9Very low102 Ų102141.6 Ų141.666%0.66278%0.777SS**  cis-146.4-163.2-13.127.6-0.8000115.9
164V28.4Very low31.8Very low119 Ų119142.5 Ų142.572%0.72177%0.772SS**  trans81.4139.3150-128.60000116.4
165V31.3Very low31.6Very low123 Ų123135.3 Ų135.375%0.74575%0.754SS**  cis-155.9144.632.9-169.50000113.5
166T26.6Very low31.6Very low114 Ų114132.3 Ų132.370%0.69975%0.753SS**  trans-40.6148.8159.5-42.80000114.3
167E31.9Very low31.7Very low187 Ų187134.8 Ų134.887%0.87475%0.75SS**  -177.6147.295.6-88.1176.3-168.100113
168S30.6Very low31.7Very low112 Ų112136 Ų13678%0.78375%0.752SS**  trans-105150.1-177.949.70000112.2
169S28.2Very low31.9Very low109 Ų109137.1 Ų137.176%0.76276%0.755SS**  trans178.6113.7143.9178.10000115.5
170T26.4Very low32.2Very low126 Ų126137.6 Ų137.677%0.77376%0.758SS**  42.5110.3119.7-47.60000123.3
171S26.2Very low32.3Very low105 Ų105133 Ų13373%0.73475%0.754SS**  46.7169113.2-1460000122.8
172P55.7Low32.2Very low107 Ų107131 Ų13170%0.69575%0.751SS**  -135.6-175.1-55.437.3-19.2000115.4
173Y27.7Very low32.3Very low212 Ų212130.1 Ų130.183%0.83175%0.753SS**  trans109.6141.9135.6-133.6-112.1000121.7
174V31.8Very low31.4Very low118 Ų118129.7 Ų129.772%0.71575%0.752SS**  trans114.8125.9150.6-167.10000119.1
175T29Very low31.4Very low84 Ų84130.9 Ų130.952%0.51576%0.755SS.*  trans-61.1157.4178.140.50000117.5Y177T175-Y177 WeakPolarHBondContact CB-OH 3.22Å; T175-Y177 PolarHBondContact OG1-OH 2.6Å; T175-Y177 VanDerWaalsContact OG1-OH 3.08Å
176S30.4Very low31.4Very low118 Ų118136.4 Ų136.483%0.82576%0.762SS**  trans-159.6148.4141-163.70000112.4
177Y29.4Very low31.6Very low176 Ų176136.5 Ų136.569%0.6977%0.767SS**  trans-110.8140.4-158.5-39.2-101.9000109.1T175T175-Y177 WeakPolarHBondContact CB-OH 3.22Å; T175-Y177 PolarHBondContact OG1-OH 2.6Å; T175-Y177 VanDerWaalsContact OG1-OH 3.08Å
178K32.4Very low31.6Very low212 Ų212134.4 Ų134.492%0.92277%0.767SS**  trans161.7120.5136.4-94.9175.4176.5-177.50112.3
179S32.1Very low32Very low109 Ų109132.3 Ų132.376%0.76276%0.763SS**  trans-107.6153.4147.1-166.50000106.3
180P45.3Very low32.5Very low112 Ų112135.1 Ų135.173%0.72777%0.768SS**  -157.9167.384.642.4-21.1000118.5
181V31.1Very low33.1Very low121 Ų121137.8 Ų137.873%0.73377%0.772SS**  trans88.7102.8151-162.20000121.2
182T25.8Very low33.4Very low122 Ų122137.7 Ų137.775%0.74877%0.771SS**  37.8119.4121-30.60000121.3
183T30.1Very low32.9Very low144 Ų144138.2 Ų138.288%0.88378%0.777SS**  trans-150.2141132.2340000110.5
184S28.3Very low33.5Very low93 Ų93133.9 Ų133.965%0.6577%0.773SS**  trans-71.1140.7175.1173.20000111.1
185D29.4Very low33.8Very low145 Ų145137.4 Ų137.478%0.77578%0.782SS**  -179.4108.4117.8-87.2-15.4000113.4
186R31.7Very low34.3Very low238 Ų238138.7 Ų138.790%0.89879%0.794SS**  22.6109.9128.3-170.2178.1-175.3-177.81.2118.1
187S30.2Very low34.9Very low117 Ų117141.4 Ų141.482%0.81879%0.794SS**  -169.9118.7127.4-178.40000111.6
188T32.5Very low35.6Very low142 Ų142141 Ų14187%0.87180%0.804SS**  trans-42.9144.2167.9-47.40000114.6
189G38.4Very low36.7Very low68 Ų68136 Ų13670%0.70179%0.791SS**  trans159.255.8160.900000115.8
190I39.3Very low37.2Very low169 Ų169136 Ų13687%0.86779%0.788SS**  trans-134.2119.7156.5-65.6-179.3000107.9S192I190-S192 PolarHBondContact O-N 2.77Å
191E38.7Very low37.1Very low181 Ų181139.3 Ų139.385%0.84679%0.794SS**  trans-62.3109.7-178-61.5166.6157.200110.5
192S31.9Very low37.4Very low103 Ų103141.6 Ų141.672%0.7280%0.801SS**  trans-93.590.3154.3540000107I190 T194I190-S192 PolarHBondContact O-N 2.77Å; S192-T194 VanDerWaalsContact C-N 3.33Å; S192-T194 PolarHBondContact O-N 3.34Å
193S45.7Very low38.3Very low118 Ų118141.6 Ų141.683%0.82581%0.806SS**  trans-64.596.9162.8-740000108.1
194T40.5Very low38.8Very low121 Ų121137.9 Ų137.974%0.74280%0.796SS**  trans-107.3104158.933.60000107S192 S196S192-T194 VanDerWaalsContact C-N 3.33Å; S192-T194 PolarHBondContact O-N 3.34Å; T194-S196 PolarHBondContact O-N 2.7Å
195E37.8Very low38.8Very low193 Ų193142.5 Ų142.590%0.90281%0.808SS**  trans3.798.6145.1-167.8167.3-178.900113.5E197E195-E197 PolarHBondContact O-N 3.08Å
196S38.8Very low39.1Very low111 Ų111141.3 Ų141.378%0.77681%0.806SS**  trans-72.8117.1172.468.90000108.4T194 D198T194-S196 PolarHBondContact O-N 2.7Å; S196-D198 PolarHBondContact O-N 3.34Å
197E43.6Very low39.1Very low174 Ų174134.5 Ų134.581%0.81380%0.8SS**  trans-52136.3164.5-89.3174.3133.600110.8E195 V199E195-E197 PolarHBondContact O-N 3.08Å; E197-V199 VanDerWaalsContact C-N 3.26Å; E197-V199 HydrophobicContact CB-CG2 4.4Å; E197-V199 PolarHBondContact O-N 3.39Å
198D44.6Very low39.7Very low168 Ų168136.5 Ų136.590%0.89880%0.8SS**  trans-74.675.6-177.4-145.51.2000109.4S196S196-D198 PolarHBondContact O-N 3.34Å
199V54.8Low39.7Very low106 Ų106138.6 Ų138.664%0.64280%0.8SS**  trans-89.7121.3175.3-171.40000108.9E197 Q201E197-V199 VanDerWaalsContact C-N 3.26Å; E197-V199 HydrophobicContact CB-CG2 4.4Å; E197-V199 PolarHBondContact O-N 3.39Å; V199-Q201 PolarHBondContact O-N 3.17Å
200P43.7Very low39.9Very low110 Ų110145.1 Ų145.171%0.71481%0.809SS**  trans-62.6106.6176-19.831.2000110.8L202P200-L202 PolarHBondContact O-N 3.43Å
201Q41.8Very low39.7Very low181 Ų181142.8 Ų142.885%0.84681%0.808SS**  trans-76.1108.1170.6-68.8-172.1-5.200109.4V199 S203V199-Q201 PolarHBondContact O-N 3.17Å; Q201-S203 PolarHBondContact O-N 2.92Å
202L37.4Very low39.3Very low170 Ų170143.3 Ų143.389%0.8981%0.807SS**  trans-81.590.2171.2-63.1178000109.7P200 G204P200-L202 PolarHBondContact O-N 3.43Å; L202-G204 PolarHBondContact O-N 3.13Å
203S45.3Very low39.8Very low121 Ų121147.2 Ų147.285%0.84682%0.815SS**  trans-75108.3162.5-84.40000109.6Q201Q201-S203 PolarHBondContact O-N 2.92Å
204G39.4Very low39.3Very low66 Ų66149.2 Ų149.268%0.6882%0.815SS**  trans-102.5112.1170.800000111.4L202 T206L202-G204 PolarHBondContact O-N 3.13Å; G204-T206 PolarHBondContact O-N 2.86Å
205E29.4Very low39.3Very low190 Ų190149.7 Ų149.789%0.88882%0.818SS**  trans-51.6124.3168.4-172.883.2-164.600111.4A207E205-A207 PolarHBondContact O-N 3Å
206T34.7Very low39.2Very low120 Ų120150.4 Ų150.474%0.73682%0.819SS**  trans-92.288.817944.20000111.5G204 I208G204-T206 PolarHBondContact O-N 2.86Å; T206-I208 PolarHBondContact O-N 3.24Å
207A33Very low39.2Very low95 Ų95148.6 Ų148.679%0.78582%0.817SS**  trans-79.792162.100000109.4E205 E209E205-A207 PolarHBondContact O-N 3Å; A207-E209 PolarHBondContact O-N 3.15Å; A207-E209 VanDerWaalsContact O-N 3.07Å
208I42.3Very low39.4Very low159 Ų159149.9 Ų149.982%0.81582%0.82SS**  trans-69.896.1172.5-61.6167.3000108.2T206T206-I208 PolarHBondContact O-N 3.24Å
209E32.5Very low39.3Very low187 Ų187150.7 Ų150.787%0.87482%0.818SS**  trans-106.2112.2167-160.7170.7-171.100110.5A207 S211A207-E209 PolarHBondContact O-N 3.15Å; A207-E209 VanDerWaalsContact O-N 3.07Å; E209-S211 PolarHBondContact O-N 2.73Å
210K43.7Very low39.4Very low204 Ų204150.6 Ų150.689%0.88782%0.82SS**  trans-32.6107.4177.6-73.7167.6172.7171.50114.2K212K210-K212 PolarHBondContact O-N 3.4Å
211S34.3Very low40.2Very low120 Ų120153.3 Ų153.384%0.83982%0.823SS**  trans-86.7110.3160.150.90000110.2E209 E213E209-S211 PolarHBondContact O-N 2.73Å; S211-E213 PolarHBondContact O-N 3.44Å
212K30.3Very low41.3Very low192 Ų192150.2 Ų150.284%0.83582%0.821SS**  trans-56.4122.3172.9-170.7175.4-177.41770110.6K210 L214K210-K212 PolarHBondContact O-N 3.4Å; K212-L214 PolarHBondContact O-N 2.72Å
213E41.4Very low42.8Very low186 Ų186150.3 Ų150.387%0.86981%0.81SS**  trans-8.2104.1155.8-168.4168.1-173.600114.1S211S211-E213 PolarHBondContact O-N 3.44Å
214L36.3Very low44.5Very low159 Ų159148.7 Ų148.783%0.83279%0.792SS**  trans-112.1100.3174.2-154.990000109.3K212 F216K212-L214 PolarHBondContact O-N 2.72Å; L214-F216 PolarHBondContact O-N 2.88Å
215T39.5Very low46.9Very low132 Ų132151.2 Ų151.281%0.8179%0.789SS**  trans-44.5119.2170.6-13.10000111.9G217T215-G217 PolarHBondContact O-N 3.01Å; T215-G217 VanDerWaalsContact O-N 3.1Å
216F37Very low49.7Very low208 Ų208147.3 Ų147.391%0.91278%0.775SS**  trans-62.4108.2172-92.2-94.9000110.4L214L214-F216 PolarHBondContact O-N 2.88Å
217G37.9Very low52.4Low73 Ų73146.1 Ų146.175%0.75376%0.764SS**  trans-78.1119.917000000111T215T215-G217 PolarHBondContact O-N 3.01Å; T215-G217 VanDerWaalsContact O-N 3.1Å
218K47.4Very low55Low201 Ų201144.5 Ų144.587%0.87474%0.741SS**  trans-0.8116.7164.2-69.1177.5174.8-176.50117.4
219H43.7Very low57.4Low185 Ų185142.1 Ų142.186%0.85673%0.73SS**  trans-54131.3158.2-85.9-81.9000111
220P56.3Low60.3Low103 Ų103140.7 Ų140.767%0.66972%0.721SS**  trans-86.5140.2167.133.3-27.7000110.4
221E61Low62.7Low167 Ų167136.3 Ų136.378%0.7870%0.702SS**  trans30.8125.3157.6-11285.5-169.100119.7W223E221-W223 PolarHBondContact O-N 3.49Å; E221-W223 VanDerWaalsContact O-N 3.08Å
222S63.7Low65.4Low116 Ų116135.2 Ų135.281%0.81169%0.685SS**  trans-44.2111.716554.20000112.3N224S222-N224 PolarHBondContact O-N 2.91Å
223W70.1Confident68.4Low172 Ų172132 Ų13265%0.65268%0.677SS**  trans-64.2128.8171.7-72.312.6000109.3E221 I228E221-W223 PolarHBondContact O-N 3.49Å; E221-W223 VanDerWaalsContact O-N 3.08Å; W223-I228 HydrophobicContact CB-CD1 4.2Å; W223-I228 HydrophobicContact CB-CG1 4.1Å; W223-I228 HydrophobicContact CE3-CG1 4.04Å
224N81.3Confident70.9Confident87 Ų87127.3 Ų127.347%0.46566%0.658SS.*  trans-72146.2172.7-172.46.2000109.3S222 D226 D227 I228S222-N224 PolarHBondContact O-N 2.91Å; N224-D226 PolarHBondContact O-N 3.11Å; N224-D227 PolarHBondContact O-N 3.24Å; N224-I228 PolarHBondContact O-N 2.89Å
225N88.8Confident73.6Confident119 Ų119124.6 Ų124.664%0.63664%0.643SS**Hα-helixtrans-57.2-34.2-179-69.8-52.9000112.2D227 I228 L229N225-D227 VanDerWaalsContact C-N 3.35Å; N225-D227 PolarHBondContact O-N 3.47Å; N225-I228 WeakPolarHBondContact O-CB 3.27Å; N225-I228 PolarHBondContact O-N 3.48Å; N225-L229 WeakPolarHBondContact O-CG 3.33Å; N225-L229 PolarHBondContact O-N 3.16Å
226D89.5Confident76.2Confident108 Ų108122.5 Ų122.558%0.57863%0.627SS**Hα-helixtrans-66.5-36178-62.9-31.9000112.5N224 I228 L229 K230N224-D226 PolarHBondContact O-N 3.11Å; D226-I228 VanDerWaalsContact C-N 3.35Å; D226-L229 PolarHBondContact O-N 3.09Å; D226-K230 WeakPolarHBondContact O-CB 3.08Å; D226-K230 PolarHBondContact O-N 2.84Å
227D90Very high78.6Confident95 Ų95115 Ų11551%0.50860%0.6SS.*Hα-helixtrans-71.1-34.6177.4-65.1-42.5000111.2N224 N225 K231N224-D227 PolarHBondContact O-N 3.24Å; N225-D227 VanDerWaalsContact C-N 3.35Å; N225-D227 PolarHBondContact O-N 3.47Å; D227-K231 VanDerWaalsContact O-CB 3.32Å; D227-K231 WeakPolarHBondContact O-CB 3.42Å; D227-K231 PolarHBondContact O-N 3.4Å
228I88.9Confident81Confident61 Ų61116.7 Ų116.731%0.31359%0.588SS.*Hα-helixtrans-64.2-50.3173.3-63.1170.3000109.9W223 N224 N225 D226 K230 K231 I232W223-I228 HydrophobicContact CB-CD1 4.2Å; W223-I228 HydrophobicContact CB-CG1 4.1Å; W223-I228 HydrophobicContact CE3-CG1 4.04Å; N224-I228 PolarHBondContact O-N 2.89Å; N225-I228 WeakPolarHBondContact O-CB 3.27Å; N225-I228 PolarHBondContact O-N 3.48Å; D226-I228 VanDerWaalsContact C-N 3.35Å; I228-K230 VanDerWaalsContact C-N 3.34Å; I228-K230 PolarHBondContact O-N 3.09Å; I228-K231 PolarHBondContact O-N 2.99Å; I228-K231 VanDerWaalsContact O-N 3.16Å; I228-I232 HydrophobicContact CG2-CD1 3.78Å; I228-I232 HydrophobicContact CG2-CG1 4.39Å; I228-I232 VanDerWaalsContact O-CG1 3.32Å; I228-I232 WeakPolarHBondContact O-CG1 3.26Å; I228-I232 PolarHBondContact O-N 3.36Å
229L91.5Very high82.8Confident109 Ų109111.3 Ų111.357%0.57157%0.572SS**Hα-helixtrans-61.8-42.3-180-71.1174.2000111.8N225 D226 K231 I232 L233N225-L229 WeakPolarHBondContact O-CG 3.33Å; N225-L229 PolarHBondContact O-N 3.16Å; D226-L229 PolarHBondContact O-N 3.09Å; L229-K231 VanDerWaalsContact C-N 3.29Å; L229-K231 PolarHBondContact O-N 3.12Å; L229-I232 PolarHBondContact O-N 3.4Å; L229-L233 WeakPolarHBondContact O-CB 2.97Å; L229-L233 PolarHBondContact O-N 3.1Å
230K93.4Very high84.7Confident158 Ų158108 Ų10869%0.68756%0.556SS**Hα-helixtrans-60.5-40.7175.3-172.5177.5-178.5-176.50111.8D226 I228 L233 D234D226-K230 WeakPolarHBondContact O-CB 3.08Å; D226-K230 PolarHBondContact O-N 2.84Å; I228-K230 VanDerWaalsContact C-N 3.34Å; I228-K230 PolarHBondContact O-N 3.09Å; K230-L233 PolarHBondContact O-N 3.47Å; K230-D234 WeakPolarHBondContact O-CB 3.36Å; K230-D234 PolarHBondContact O-N 2.88Å
231K93.9Very high85.7Confident112 Ų112109 Ų10949%0.48755%0.552SS.*Hα-helixtrans-73.1-34.9179.4-162.2155.7-177.9-1790112.8D227 I228 L229 L233 D234 I235D227-K231 VanDerWaalsContact O-CB 3.32Å; D227-K231 WeakPolarHBondContact O-CB 3.42Å; D227-K231 PolarHBondContact O-N 3.4Å; I228-K231 PolarHBondContact O-N 2.99Å; I228-K231 VanDerWaalsContact O-N 3.16Å; L229-K231 VanDerWaalsContact C-N 3.29Å; L229-K231 PolarHBondContact O-N 3.12Å; K231-L233 VanDerWaalsContact C-N 3.3Å; K231-D234 PolarHBondContact O-N 3.3Å; K231-I235 HydrophobicContact CG-CD1 4.36Å; K231-I235 WeakPolarHBondContact O-CB 3.47Å; K231-I235 WeakPolarHBondContact O-CD1 3.48Å; K231-I235 WeakPolarHBondContact O-CG1 3.48Å; K231-I235 PolarHBondContact O-N 2.84Å
232I91.7Very high86.3Confident97 Ų97103.3 Ų103.350%0.49753%0.534SS..Hα-helixtrans-62-42.6171.1-69.2167.2000110.1I228 L229 I235 N236I228-I232 HydrophobicContact CG2-CD1 3.78Å; I228-I232 HydrophobicContact CG2-CG1 4.39Å; I228-I232 VanDerWaalsContact O-CG1 3.32Å; I228-I232 WeakPolarHBondContact O-CG1 3.26Å; I228-I232 PolarHBondContact O-N 3.36Å; L229-I232 PolarHBondContact O-N 3.4Å; I232-I235 PolarHBondContact O-N 3.18Å; I232-N236 WeakPolarHBondContact O-CB 3.24Å; I232-N236 PolarHBondContact O-N 2.99Å
233L93.4Very high86.7Confident124 Ų124103.3 Ų103.365%0.64952%0.524SS*.Hα-helixtrans-65.9-39.8178.8-157.9148.2000111.6L229 K230 K231 N236 S237L229-L233 WeakPolarHBondContact O-CB 2.97Å; L229-L233 PolarHBondContact O-N 3.1Å; K230-L233 PolarHBondContact O-N 3.47Å; K231-L233 VanDerWaalsContact C-N 3.3Å; L233-N236 PolarHBondContact O-N 2.86Å; L233-S237 PolarHBondContact O-N 3.18Å
234D93.6Very high86.6Confident88 Ų88100.9 Ų100.947%0.47152%0.523SS..Hα-helixtrans-68.1-36.1174.9-164.337.4000112.7K230 K231 S237 H238K230-D234 WeakPolarHBondContact O-CB 3.36Å; K230-D234 PolarHBondContact O-N 2.88Å; K231-D234 PolarHBondContact O-N 3.3Å; D234-S237 PolarHBondContact O-OG 2.89Å; D234-H238 PolarHBondContact O-N 3.23Å; D234-H238 VanDerWaalsContact O-N 3.16Å; D234-H238 PolarHBondContact O-ND1 2.99Å; D234-H238 IonicContact OD1-CE1 3.49Å; D234-H238 PolarHBondContact OD1-CE1 3.07Å; D234-H238 IonicContact OD1-ND1 3.57Å
235I93.7Very high85.8Confident101 Ų10199.8 Ų99.852%0.51852%0.523SS..Hα-helixtrans-65-43.1171.8-70.2162.7000110.2K231 I232 S237 H238 V239K231-I235 HydrophobicContact CG-CD1 4.36Å; K231-I235 WeakPolarHBondContact O-CB 3.47Å; K231-I235 WeakPolarHBondContact O-CD1 3.48Å; K231-I235 WeakPolarHBondContact O-CG1 3.48Å; K231-I235 PolarHBondContact O-N 2.84Å; I232-I235 PolarHBondContact O-N 3.18Å; I235-S237 PolarHBondContact O-N 3.34Å; I235-H238 PolarHBondContact O-N 3.09Å; I235-V239 HydrophobicContact CG2-CG2 4.34Å; I235-V239 VanDerWaalsContact O-CG2 3.31Å; I235-V239 WeakPolarHBondContact O-CG2 3.23Å; I235-V239 PolarHBondContact O-N 3.16Å
236N92.7Very high84.5Confident88 Ų8898.3 Ų98.347%0.47152%0.515SS..Hα-helixtrans-64-40.6179.9-169.625.3000111.9I232 L233 V239 Q240I232-N236 WeakPolarHBondContact O-CB 3.24Å; I232-N236 PolarHBondContact O-N 2.99Å; L233-N236 PolarHBondContact O-N 2.86Å; N236-V239 PolarHBondContact O-N 2.77Å; N236-Q240 WeakPolarHBondContact O-CG 3.35Å; N236-Q240 PolarHBondContact O-N 3.3Å
237S88.8Confident83.2Confident50 Ų5096.4 Ų96.435%0.3551%0.507SS..Hα-helixtrans-62.8-42.5175.565.70000111.7L233 D234 I235 Q240 Q241L233-S237 PolarHBondContact O-N 3.18Å; D234-S237 PolarHBondContact O-OG 2.89Å; I235-S237 PolarHBondContact O-N 3.34Å; S237-Q240 PolarHBondContact O-N 2.99Å; S237-Q241 WeakPolarHBondContact O-CB 3.44Å; S237-Q241 PolarHBondContact O-N 3.4Å
238H87.1Confident82.1Confident110 Ų11096 Ų9651%0.50951%0.511SS..Hα-helixtrans-64.4-40175.8-78.784.1000112.6D234 I235 Q241 A242D234-H238 PolarHBondContact O-N 3.23Å; D234-H238 VanDerWaalsContact O-N 3.16Å; D234-H238 PolarHBondContact O-ND1 2.99Å; D234-H238 IonicContact OD1-CE1 3.49Å; D234-H238 PolarHBondContact OD1-CE1 3.07Å; D234-H238 IonicContact OD1-ND1 3.57Å; I235-H238 PolarHBondContact O-N 3.09Å; H238-Q241 PolarHBondContact O-N 2.94Å; H238-A242 WeakPolarHBondContact O-CB 3.18Å; H238-A242 PolarHBondContact O-N 3.22Å
239V86.1Confident81.3Confident87 Ų8796 Ų9653%0.52751%0.513SS..Hα-helixtrans-65.1-44.3176.4170.50000111I235 N236 Q241 A242 L243I235-V239 HydrophobicContact CG2-CG2 4.34Å; I235-V239 VanDerWaalsContact O-CG2 3.31Å; I235-V239 WeakPolarHBondContact O-CG2 3.23Å; I235-V239 PolarHBondContact O-N 3.16Å; N236-V239 PolarHBondContact O-N 2.77Å; V239-Q241 VanDerWaalsContact C-N 3.32Å; V239-Q241 PolarHBondContact O-N 3.45Å; V239-A242 PolarHBondContact O-N 2.97Å; V239-L243 WeakPolarHBondContact O-CB 3.46Å; V239-L243 PolarHBondContact O-N 2.95Å
240Q82.6Confident80.5Confident115 Ų11595.7 Ų95.754%0.53752%0.517SS..Hα-helixtrans-64.3-38.5176.5-72.6-166.1-6.600112.1N236 S237 L243 L244N236-Q240 WeakPolarHBondContact O-CG 3.35Å; N236-Q240 PolarHBondContact O-N 3.3Å; S237-Q240 PolarHBondContact O-N 2.99Å; Q240-L243 PolarHBondContact O-N 2.94Å; Q240-L244 WeakPolarHBondContact O-CB 3.49Å; Q240-L244 WeakPolarHBondContact O-CD1 3.34Å; Q240-L244 VanDerWaalsContact O-CG 3.31Å; Q240-L244 WeakPolarHBondContact O-CG 3.28Å; Q240-L244 PolarHBondContact O-N 3.21Å
241Q78Confident79.6Confident125 Ų12591 Ų9158%0.58451%0.508SS*.Hα-helixtrans-68-37.6176.6-168.3172.212.600112.4S237 H238 V239 S245S237-Q241 WeakPolarHBondContact O-CB 3.44Å; S237-Q241 PolarHBondContact O-N 3.4Å; H238-Q241 PolarHBondContact O-N 2.94Å; V239-Q241 VanDerWaalsContact C-N 3.32Å; V239-Q241 PolarHBondContact O-N 3.45Å; Q241-S245 WeakPolarHBondContact O-CB 3.37Å; Q241-S245 PolarHBondContact O-N 2.95Å; Q241-S245 PolarHBondContact O-OG 3.35Å
242A73.9Confident78.7Confident48 Ų4891.3 Ų91.340%0.39751%0.507SS..Hα-helixtrans-65.2-45.6173.700000111.5H238 V239 L244 S245 D246H238-A242 WeakPolarHBondContact O-CB 3.18Å; H238-A242 PolarHBondContact O-N 3.22Å; V239-A242 PolarHBondContact O-N 2.97Å; A242-L244 VanDerWaalsContact C-N 3.34Å; A242-L244 PolarHBondContact O-N 3.47Å; A242-S245 CarbonylContact O-C 3.58Å; A242-S245 WeakPolarHBondContact O-CB 3.35Å; A242-S245 PolarHBondContact O-N 2.83Å; A242-S245 VanDerWaalsContact O-N 3.09Å; A242-D246 PolarHBondContact O-N 3.46Å
243L71.9Confident78.2Confident115 Ų11594.9 Ų94.960%0.60251%0.514SS*.Hα-helixtrans-61.5-41.7177.3-172.167.6000112.1V239 Q240 S245 D246 T247V239-L243 WeakPolarHBondContact O-CB 3.46Å; V239-L243 PolarHBondContact O-N 2.95Å; Q240-L243 PolarHBondContact O-N 2.94Å; L243-S245 VanDerWaalsContact C-N 3.32Å; L243-S245 PolarHBondContact O-N 3.26Å; L243-D246 PolarHBondContact O-N 3.49Å; L243-T247 WeakPolarHBondContact O-CG2 3.36Å; L243-T247 PolarHBondContact O-N 2.94Å; L243-T247 PolarHBondContact O-OG1 3Å
244L68.7Low77.8Confident121 Ų12196.3 Ų96.363%0.63452%0.517SS*.Hα-helixtrans-63.2-40174-77.1164.9000111.6Q240 A242 T247 S248Q240-L244 WeakPolarHBondContact O-CB 3.49Å; Q240-L244 WeakPolarHBondContact O-CD1 3.34Å; Q240-L244 VanDerWaalsContact O-CG 3.31Å; Q240-L244 WeakPolarHBondContact O-CG 3.28Å; Q240-L244 PolarHBondContact O-N 3.21Å; A242-L244 VanDerWaalsContact C-N 3.34Å; A242-L244 PolarHBondContact O-N 3.47Å; L244-T247 PolarHBondContact O-N 3.45Å; L244-T247 PolarHBondContact O-OG1 2.79Å; L244-S248 PolarHBondContact O-N 2.81Å
245S63.4Low77.6Confident65 Ų6596.9 Ų96.946%0.45552%0.52SS..Hα-helixtrans-65.8-39.5176.6-57.10000111.8Q241 A242 L243 S248 N249Q241-S245 WeakPolarHBondContact O-CB 3.37Å; Q241-S245 PolarHBondContact O-N 2.95Å; Q241-S245 PolarHBondContact O-OG 3.35Å; A242-S245 CarbonylContact O-C 3.58Å; A242-S245 WeakPolarHBondContact O-CB 3.35Å; A242-S245 PolarHBondContact O-N 2.83Å; A242-S245 VanDerWaalsContact O-N 3.09Å; L243-S245 VanDerWaalsContact C-N 3.32Å; L243-S245 PolarHBondContact O-N 3.26Å; S245-S248 WeakPolarHBondContact O-CB 3.38Å; S245-S248 PolarHBondContact O-N 3.09Å; S245-S248 VanDerWaalsContact O-N 3.12Å; S245-S248 PolarHBondContact O-OG 3.11Å; S245-N249 PolarHBondContact O-N 3.02Å
246D62.4Low77.3Confident87 Ų8795.7 Ų95.747%0.46551%0.514SS..Hα-helixtrans-68.7-35.5177.6-73.6-23.5000112.1A242 L243 S248 N249A242-D246 PolarHBondContact O-N 3.46Å; L243-D246 PolarHBondContact O-N 3.49Å; D246-S248 PolarHBondContact O-N 3.49Å; D246-N249 WeakPolarHBondContact O-CB 3.32Å; D246-N249 PolarHBondContact O-N 2.89Å; D246-N249 VanDerWaalsContact O-N 3.16Å
247T61.8Low77.2Confident69 Ų6995.9 Ų95.942%0.42351%0.512SS..Hα-helixtrans-68.7-16.7172.362.10000114L243 L244L243-T247 WeakPolarHBondContact O-CG2 3.36Å; L243-T247 PolarHBondContact O-N 2.94Å; L243-T247 PolarHBondContact O-OG1 3Å; L244-T247 PolarHBondContact O-N 3.45Å; L244-T247 PolarHBondContact O-OG1 2.79Å
248S66.1Low77.4Confident85 Ų8595.9 Ų95.959%0.59452%0.515SS*.THydrogen-bonded Turntrans-86.6-12.5174.681.30000113.2L244 S245 D246 P250L244-S248 PolarHBondContact O-N 2.81Å; S245-S248 WeakPolarHBondContact O-CB 3.38Å; S245-S248 PolarHBondContact O-N 3.09Å; S245-S248 VanDerWaalsContact O-N 3.12Å; S245-S248 PolarHBondContact O-OG 3.11Å; D246-S248 PolarHBondContact O-N 3.49Å; S248-P250 WeakPolarHBondContact O-CD 3.28Å
249N72.3Confident77.7Confident63 Ų6394.3 Ų94.334%0.33752%0.516SS..  trans-72.9120.7178.4-170.3-23.8000109.6S245 D246 A251 Y252 R253S245-N249 PolarHBondContact O-N 3.02Å; D246-N249 WeakPolarHBondContact O-CB 3.32Å; D246-N249 PolarHBondContact O-N 2.89Å; D246-N249 VanDerWaalsContact O-N 3.16Å; N249-A251 PolarHBondContact O-N 2.84Å; N249-A251 PolarHBondContact OD1-N 2.88Å; N249-Y252 HydrophobicContact CB-CD2 3.83Å; N249-Y252 HydrophobicContact CB-CE2 4.33Å; N249-Y252 PolarHBondContact O-N 3.43Å; N249-R253 PolarHBondContact O-N 2.82Å
250P74.6Confident78.1Confident101 Ų10195.3 Ų95.366%0.65651%0.514SS*.Hα-helixtrans-63.2-25.5-17625.6-35.3000113.2S248 R253S248-P250 WeakPolarHBondContact O-CD 3.28Å; P250-R253 PolarHBondContact O-N 2.82Å
251A74.6Confident78.7Confident60 Ų6094 Ų9450%0.49651%0.508SS..Hα-helixtrans-65.1-45.5179.100000112.4N249 R253N249-A251 PolarHBondContact O-N 2.84Å; N249-A251 PolarHBondContact OD1-N 2.88Å; A251-R253 VanDerWaalsContact C-N 3.27Å; A251-R253 PolarHBondContact O-N 2.83Å
252Y76.1Confident79.6Confident119 Ų11994.1 Ų94.147%0.46751%0.508SS..Hα-helixtrans-74-18.2179.1-59.6-54.3000113.1N249 I256N249-Y252 HydrophobicContact CB-CD2 3.83Å; N249-Y252 HydrophobicContact CB-CE2 4.33Å; N249-Y252 PolarHBondContact O-N 3.43Å; Y252-I256 VanDerWaalsContact O-CB 3.28Å; Y252-I256 WeakPolarHBondContact O-CB 3.29Å; Y252-I256 VanDerWaalsContact O-CD1 3.31Å; Y252-I256 WeakPolarHBondContact O-CD1 3.37Å; Y252-I256 WeakPolarHBondContact O-CG1 3.3Å; Y252-I256 PolarHBondContact O-N 3.49Å
253R80.9Confident80.8Confident171 Ų17197.1 Ų97.165%0.64552%0.517SS*.Hα-helixtrans-64.9-42.2178.3-83.7-171.5161.8-116.91112.6N249 P250 A251 E257N249-R253 PolarHBondContact O-N 2.82Å; P250-R253 PolarHBondContact O-N 2.82Å; A251-R253 VanDerWaalsContact C-N 3.27Å; A251-R253 PolarHBondContact O-N 2.83Å; R253-E257 WeakPolarHBondContact O-CB 3.47Å; R253-E257 PolarHBondContact O-N 3.47Å
254E85.8Confident82Confident155 Ų15598.3 Ų98.372%0.72452%0.517SS*.Hα-helixtrans-67.3-44.5179.1-170.2168.5-16700110.7I256 E257 A258E254-I256 PolarHBondContact O-N 3.22Å; E254-E257 PolarHBondContact O-N 2.93Å; E254-A258 VanDerWaalsContact O-CB 3.29Å; E254-A258 WeakPolarHBondContact O-CB 3.32Å; E254-A258 PolarHBondContact O-N 2.87Å
255D87.7Confident83.3Confident100 Ų10099 Ų9954%0.53551%0.511SS..Hα-helixtrans-62.4-41.1176.2-69.6-18.1000112.6S259D255-S259 VanDerWaalsContact O-CB 3.24Å; D255-S259 WeakPolarHBondContact O-CB 3.39Å; D255-S259 PolarHBondContact O-N 3.45Å; D255-S259 PolarHBondContact O-OG 3.47Å
256I87.3Confident85Confident75 Ų7598.2 Ų98.239%0.38551%0.505SS..Hα-helixtrans-65.4-41.9176.2-71.6165.4000110.4Y252 E254 S259 K260Y252-I256 VanDerWaalsContact O-CB 3.28Å; Y252-I256 WeakPolarHBondContact O-CB 3.29Å; Y252-I256 VanDerWaalsContact O-CD1 3.31Å; Y252-I256 WeakPolarHBondContact O-CD1 3.37Å; Y252-I256 WeakPolarHBondContact O-CG1 3.3Å; Y252-I256 PolarHBondContact O-N 3.49Å; E254-I256 PolarHBondContact O-N 3.22Å; I256-S259 PolarHBondContact O-N 3.26Å; I256-K260 HydrophobicContact CG2-CD 4.21Å; I256-K260 WeakPolarHBondContact O-CB 3.43Å; I256-K260 VanDerWaalsContact O-CG 3.27Å; I256-K260 WeakPolarHBondContact O-CG 3.15Å; I256-K260 PolarHBondContact O-N 2.97Å
257E90.7Very high86.6Confident92 Ų9299.6 Ų99.643%0.4351%0.512SS..Hα-helixtrans-70.3-42.9178.9-163.970.8-75.800111.5R253 E254 S259 K260 E261R253-E257 WeakPolarHBondContact O-CB 3.47Å; R253-E257 PolarHBondContact O-N 3.47Å; E254-E257 PolarHBondContact O-N 2.93Å; E257-S259 VanDerWaalsContact C-N 3.29Å; E257-S259 PolarHBondContact O-N 3.27Å; E257-K260 WeakPolarHBondContact O-CB 3.17Å; E257-K260 PolarHBondContact O-N 3.38Å; E257-K260 VanDerWaalsContact O-N 3.12Å; E257-K260 WeakPolarHBondContact OE1-CD 3.22Å; E257-E261 WeakPolarHBondContact O-CG 3.43Å; E257-E261 PolarHBondContact O-N 2.98Å
258A92.9Very high88.3Confident50 Ų5099 Ų9941%0.41352%0.515SS..Hα-helixtrans-58.2-42.4173.500000111.4E254 E261 H262E254-A258 VanDerWaalsContact O-CB 3.29Å; E254-A258 WeakPolarHBondContact O-CB 3.32Å; E254-A258 PolarHBondContact O-N 2.87Å; A258-E261 PolarHBondContact O-N 3.49Å; A258-H262 WeakPolarHBondContact O-CB 3.24Å; A258-H262 PolarHBondContact O-N 3.42Å
259S93.8Very high89.8Confident77 Ų77101 Ų10154%0.53852%0.518SS..Hα-helixtrans-64.7-41.4175.4-620000112D255 I256 E257 H262 L263D255-S259 VanDerWaalsContact O-CB 3.24Å; D255-S259 WeakPolarHBondContact O-CB 3.39Å; D255-S259 PolarHBondContact O-N 3.45Å; D255-S259 PolarHBondContact O-OG 3.47Å; I256-S259 PolarHBondContact O-N 3.26Å; E257-S259 VanDerWaalsContact C-N 3.29Å; E257-S259 PolarHBondContact O-N 3.27Å; S259-H262 PolarHBondContact O-N 2.99Å; S259-L263 WeakPolarHBondContact O-CB 3.27Å; S259-L263 PolarHBondContact O-N 2.92Å
260K95.2Very high90.9Very high109 Ų109100.8 Ų100.847%0.47453%0.525SS..Hα-helixtrans-63.6-43175.1-78.1171.2178.5176.70111.9I256 E257 L263 K264I256-K260 HydrophobicContact CG2-CD 4.21Å; I256-K260 WeakPolarHBondContact O-CB 3.43Å; I256-K260 VanDerWaalsContact O-CG 3.27Å; I256-K260 WeakPolarHBondContact O-CG 3.15Å; I256-K260 PolarHBondContact O-N 2.97Å; E257-K260 WeakPolarHBondContact O-CB 3.17Å; E257-K260 PolarHBondContact O-N 3.38Å; E257-K260 VanDerWaalsContact O-N 3.12Å; E257-K260 WeakPolarHBondContact OE1-CD 3.22Å; K260-L263 PolarHBondContact O-N 3.48Å; K260-K264 VanDerWaalsContact O-CG 3.31Å; K260-K264 WeakPolarHBondContact O-CG 3.1Å; K260-K264 PolarHBondContact O-N 3.33Å
261E95.8Very high91.9Very high87 Ų8798.3 Ų98.341%0.40751%0.513SS..Hα-helixtrans-65.7-43.2176.2-71.5-171173.500112E257 A258 L263 K264 R265E257-E261 WeakPolarHBondContact O-CG 3.43Å; E257-E261 PolarHBondContact O-N 2.98Å; A258-E261 PolarHBondContact O-N 3.49Å; E261-L263 VanDerWaalsContact C-N 3.32Å; E261-L263 PolarHBondContact O-N 2.89Å; E261-K264 WeakPolarHBondContact O-CB 3.44Å; E261-K264 PolarHBondContact O-N 3.18Å; E261-R265 WeakPolarHBondContact O-CG 3.35Å; E261-R265 PolarHBondContact O-N 2.91Å; E261-R265 IonicContact OE2-CZ 3.73Å; E261-R265 IonicContact OE2-NH1 3.9Å; E261-R265 IonicContact OE2-NH2 2.76Å; E261-R265 PolarHBondContact OE2-NH2 3.37Å
262H96.8Very high92.9Very high128 Ų12898.3 Ų98.359%0.59351%0.513SS*.Hα-helixtrans-59.1-45.5174.9-177.4-95.2000111.1A258 S259 K264 R265 S266A258-H262 WeakPolarHBondContact O-CB 3.24Å; A258-H262 PolarHBondContact O-N 3.42Å; S259-H262 PolarHBondContact O-N 2.99Å; H262-K264 PolarHBondContact O-N 3.33Å; H262-R265 PolarHBondContact O-N 3.49Å; H262-S266 WeakPolarHBondContact O-CB 3.35Å; H262-S266 PolarHBondContact O-N 3.47Å; H262-S266 PolarHBondContact O-OG 3.34Å
263L97.4Very high93.8Very high110 Ų11095 Ų9558%0.57651%0.511SS*.Hα-helixtrans-58.4-47.1174.8-178.563.1000111.3S259 K260 E261 R265 S266 L267S259-L263 WeakPolarHBondContact O-CB 3.27Å; S259-L263 PolarHBondContact O-N 2.92Å; K260-L263 PolarHBondContact O-N 3.48Å; E261-L263 VanDerWaalsContact C-N 3.32Å; E261-L263 PolarHBondContact O-N 2.89Å; L263-R265 PolarHBondContact O-N 2.96Å; L263-S266 WeakPolarHBondContact CA-OG 3.37Å; L263-S266 PolarHBondContact O-N 3.28Å; L263-S266 PolarHBondContact O-OG 2.88Å; L263-L267 WeakPolarHBondContact O-CB 3.11Å; L263-L267 PolarHBondContact O-N 2.84Å
264K97.4Very high94.4Very high141 Ų14193.7 Ų93.761%0.61351%0.512SS*.Hα-helixtrans-57.6-45.2176-73.5170.7-177.1172.40112.1K260 E261 H262 L267 A268K260-K264 VanDerWaalsContact O-CG 3.31Å; K260-K264 WeakPolarHBondContact O-CG 3.1Å; K260-K264 PolarHBondContact O-N 3.33Å; E261-K264 WeakPolarHBondContact O-CB 3.44Å; E261-K264 PolarHBondContact O-N 3.18Å; H262-K264 PolarHBondContact O-N 3.33Å; K264-L267 PolarHBondContact O-N 3.45Å; K264-A268 WeakPolarHBondContact O-CB 3.46Å; K264-A268 PolarHBondContact O-N 3.44Å
265R97.3Very high94.8Very high136 Ų13691.9 Ų91.951%0.51350%0.503SS..Hα-helixtrans-63-45.7176.8-68.7-178.4-159.698.85.2111.3E261 H262 L263 L267 A268 L269E261-R265 WeakPolarHBondContact O-CG 3.35Å; E261-R265 PolarHBondContact O-N 2.91Å; E261-R265 IonicContact OE2-CZ 3.73Å; E261-R265 IonicContact OE2-NH1 3.9Å; E261-R265 IonicContact OE2-NH2 2.76Å; E261-R265 PolarHBondContact OE2-NH2 3.37Å; H262-R265 PolarHBondContact O-N 3.49Å; L263-R265 PolarHBondContact O-N 2.96Å; R265-L267 VanDerWaalsContact C-N 3.33Å; R265-L267 PolarHBondContact O-N 3.27Å; R265-A268 PolarHBondContact O-N 3.34Å; R265-L269 WeakPolarHBondContact O-CG 3.44Å; R265-L269 PolarHBondContact O-N 2.82Å
266S97.6Very high95.1Very high47 Ų4793.3 Ų93.333%0.32951%0.505SS..Hα-helixtrans-62.7-39.3178.872.20000112.3H262 L263 L269 A270H262-S266 WeakPolarHBondContact O-CB 3.35Å; H262-S266 PolarHBondContact O-N 3.47Å; H262-S266 PolarHBondContact O-OG 3.34Å; L263-S266 WeakPolarHBondContact CA-OG 3.37Å; L263-S266 PolarHBondContact O-N 3.28Å; L263-S266 PolarHBondContact O-OG 2.88Å; S266-L269 PolarHBondContact O-N 3.02Å; S266-A270 WeakPolarHBondContact O-CB 3.49Å; S266-A270 PolarHBondContact O-N 2.95Å
267L97.6Very high95.2Very high116 Ų11694.2 Ų94.261%0.60751%0.509SS*.Hα-helixtrans-70.2-38.7178-172.2143.4000111.4L263 K264 R265 A270 A271L263-L267 WeakPolarHBondContact O-CB 3.11Å; L263-L267 PolarHBondContact O-N 2.84Å; K264-L267 PolarHBondContact O-N 3.45Å; R265-L267 VanDerWaalsContact C-N 3.33Å; R265-L267 PolarHBondContact O-N 3.27Å; L267-A270 PolarHBondContact O-N 2.62Å; L267-A271 WeakPolarHBondContact O-CB 3.29Å; L267-A271 PolarHBondContact O-N 3.19Å
268A96.8Very high95.2Very high58 Ų5894.1 Ų94.148%0.47951%0.509SS..Hα-helixtrans-63.8-40.417300000112K264 R265 A271 A272K264-A268 WeakPolarHBondContact O-CB 3.46Å; K264-A268 PolarHBondContact O-N 3.44Å; R265-A268 PolarHBondContact O-N 3.34Å; A268-A271 PolarHBondContact O-N 3.37Å; A268-A272 WeakPolarHBondContact O-CB 3.21Å; A268-A272 PolarHBondContact O-N 3.27Å
269L96.7Very high95Very high125 Ų12594.6 Ų94.665%0.65451%0.507SS*.Hα-helixtrans-64.6-42.9174.1-73.7172.1000111.9R265 S266 A272 A273R265-L269 WeakPolarHBondContact O-CG 3.44Å; R265-L269 PolarHBondContact O-N 2.82Å; S266-L269 PolarHBondContact O-N 3.02Å; L269-A272 PolarHBondContact O-N 2.91Å; L269-A273 WeakPolarHBondContact O-CB 3.29Å; L269-A273 PolarHBondContact O-N 2.94Å
270A96.6Very high94.7Very high60 Ų6095.1 Ų95.150%0.49650%0.502SS..Hα-helixtrans-62.6-45.6175.700000111.5S266 L267 A272 A273 E274S266-A270 WeakPolarHBondContact O-CB 3.49Å; S266-A270 PolarHBondContact O-N 2.95Å; L267-A270 PolarHBondContact O-N 2.62Å; A270-A272 VanDerWaalsContact C-N 3.33Å; A270-A272 PolarHBondContact O-N 3.17Å; A270-A273 WeakPolarHBondContact O-CB 3.5Å; A270-A273 PolarHBondContact O-N 2.8Å; A270-E274 WeakPolarHBondContact O-CB 3.25Å; A270-E274 PolarHBondContact O-N 2.98Å
271A95.7Very high94.1Very high48 Ų4897.2 Ų97.240%0.39751%0.508SS..Hα-helixtrans-62.9-38.617600000112.2L267 A268 E274 H275L267-A271 WeakPolarHBondContact O-CB 3.29Å; L267-A271 PolarHBondContact O-N 3.19Å; A268-A271 PolarHBondContact O-N 3.37Å; A271-E274 PolarHBondContact O-N 3.49Å; A271-H275 WeakPolarHBondContact O-CB 3.23Å; A271-H275 PolarHBondContact O-N 3.29Å
272A94.8Very high93.4Very high60 Ų6098.2 Ų98.250%0.49651%0.511SS..Hα-helixtrans-66.1-40174.300000111.9A268 L269 A270 K276A268-A272 WeakPolarHBondContact O-CB 3.21Å; A268-A272 PolarHBondContact O-N 3.27Å; L269-A272 PolarHBondContact O-N 2.91Å; A270-A272 VanDerWaalsContact C-N 3.33Å; A270-A272 PolarHBondContact O-N 3.17Å; A272-K276 WeakPolarHBondContact O-CB 3.49Å; A272-K276 PolarHBondContact O-N 2.63Å
273A94.4Very high92.3Very high51 Ų5195.7 Ų95.742%0.42151%0.508SS..Hα-helixtrans-65.8-41.1175.100000111.8L269 A270 K276 L277L269-A273 WeakPolarHBondContact O-CB 3.29Å; L269-A273 PolarHBondContact O-N 2.94Å; A270-A273 WeakPolarHBondContact O-CB 3.5Å; A270-A273 PolarHBondContact O-N 2.8Å; A273-K276 WeakPolarHBondContact O-CB 3.25Å; A273-K276 PolarHBondContact O-N 3.41Å; A273-L277 WeakPolarHBondContact O-CG 3.45Å; A273-L277 PolarHBondContact O-N 3.26Å
274E93.7Very high90.8Very high142 Ų14297.9 Ų97.966%0.66452%0.515SS*.Hα-helixtrans-62.2-48.7175-176.1178.1-176.700111.2A270 A271 K276 L277 E278A270-E274 WeakPolarHBondContact O-CB 3.25Å; A270-E274 PolarHBondContact O-N 2.98Å; A271-E274 PolarHBondContact O-N 3.49Å; E274-K276 VanDerWaalsContact C-N 3.28Å; E274-K276 PolarHBondContact O-N 3.4Å; E274-L277 PolarHBondContact O-N 3.47Å; E274-L277 VanDerWaalsContact O-N 3.11Å; E274-E278 WeakPolarHBondContact O-CB 3.44Å; E274-E278 PolarHBondContact O-N 3.17Å
275H95.3Very high89Confident117 Ų11798.3 Ų98.354%0.54252%0.523SS..Hα-helixtrans-60.9-37.5175.2-179.3-94.6000111.9A271 E278 T279A271-H275 WeakPolarHBondContact O-CB 3.23Å; A271-H275 PolarHBondContact O-N 3.29Å; H275-E278 PolarHBondContact O-N 3.34Å; H275-T279 WeakPolarHBondContact O-CB 3.4Å; H275-T279 VanDerWaalsContact O-CG2 3.29Å; H275-T279 WeakPolarHBondContact O-CG2 3.5Å; H275-T279 PolarHBondContact O-N 2.96Å; H275-T279 PolarHBondContact O-OG1 2.97Å
276K93.9Very high86.9Confident131 Ų13197.1 Ų97.157%0.5753%0.527SS*.Hα-helixtrans-63.7-42173.7-165-167.8-179.1-174.30111.7A272 A273 E274 T279 M280A272-K276 WeakPolarHBondContact O-CB 3.49Å; A272-K276 PolarHBondContact O-N 2.63Å; A273-K276 WeakPolarHBondContact O-CB 3.25Å; A273-K276 PolarHBondContact O-N 3.41Å; E274-K276 VanDerWaalsContact C-N 3.28Å; E274-K276 PolarHBondContact O-N 3.4Å; K276-T279 WeakPolarHBondContact CA-OG1 3.29Å; K276-T279 PolarHBondContact O-N 2.75Å; K276-T279 PolarHBondContact O-OG1 3.28Å; K276-M280 HydrophobicContact CD-CE 3.77Å; K276-M280 VanDerWaalsContact CE-CE 3.44Å; K276-M280 HydrophobicContact CG-CE 3.72Å; K276-M280 WeakPolarHBondContact O-CG 3.32Å; K276-M280 PolarHBondContact O-N 3.25Å
277L90Very high84.7Confident93 Ų9398.5 Ų98.549%0.48754%0.536SS..Hα-helixtrans-66.6-45.3175.2-73.6173.2000111.1A273 E274 T279 M280 Y281A273-L277 WeakPolarHBondContact O-CG 3.45Å; A273-L277 PolarHBondContact O-N 3.26Å; E274-L277 PolarHBondContact O-N 3.47Å; E274-L277 VanDerWaalsContact O-N 3.11Å; L277-T279 VanDerWaalsContact C-N 3.27Å; L277-T279 PolarHBondContact O-N 3.43Å; L277-M280 WeakPolarHBondContact O-CB 3.1Å; L277-M280 PolarHBondContact O-N 2.86Å; L277-M280 VanDerWaalsContact O-N 3.09Å; L277-Y281 HydrophobicContact CB-CD2 4.47Å; L277-Y281 WeakPolarHBondContact O-CD2 3.32Å; L277-Y281 PolarHBondContact O-N 3.43Å
278E90.6Very high82.4Confident90 Ų9099.6 Ų99.642%0.42155%0.55SS.*Hα-helixtrans-58.5-42.1177.3-166.8-171-179.700111.1E274 H275 Y281 K282E274-E278 WeakPolarHBondContact O-CB 3.44Å; E274-E278 PolarHBondContact O-N 3.17Å; H275-E278 PolarHBondContact O-N 3.34Å; E278-Y281 PolarHBondContact O-N 2.87Å; E278-K282 HydrophobicContact CG-CD 4.2Å; E278-K282 VanDerWaalsContact O-CB 3.27Å; E278-K282 WeakPolarHBondContact O-CB 3.44Å; E278-K282 VanDerWaalsContact O-CG 3.24Å; E278-K282 WeakPolarHBondContact O-CG 3.08Å; E278-K282 PolarHBondContact O-N 3.44Å; E278-K282 WeakPolarHBondContact OE1-CE 3.5Å; E278-K282 IonicContact OE1-NZ 2.62Å; E278-K282 PolarHBondContact OE1-NZ 2.88Å; E278-K282 IonicContact OE2-NZ 3.81Å
279T87.4Confident80.1Confident60 Ų6099.3 Ų99.337%0.36855%0.553SS.*Hα-helixtrans-66.2-37.3174.650.80000112.9H275 K276 L277 S283H275-T279 WeakPolarHBondContact O-CB 3.4Å; H275-T279 VanDerWaalsContact O-CG2 3.29Å; H275-T279 WeakPolarHBondContact O-CG2 3.5Å; H275-T279 PolarHBondContact O-N 2.96Å; H275-T279 PolarHBondContact O-OG1 2.97Å; K276-T279 WeakPolarHBondContact CA-OG1 3.29Å; K276-T279 PolarHBondContact O-N 2.75Å; K276-T279 PolarHBondContact O-OG1 3.28Å; L277-T279 VanDerWaalsContact C-N 3.27Å; L277-T279 PolarHBondContact O-N 3.43Å; T279-S283 VanDerWaalsContact O-CB 3.32Å; T279-S283 WeakPolarHBondContact O-CB 3.34Å; T279-S283 PolarHBondContact O-N 3.44Å; T279-S283 PolarHBondContact O-OG 2.9Å; T279-S283 VanDerWaalsContact O-OG 3.09Å
280M88Confident77.8Confident88 Ų88101.9 Ų101.943%0.43356%0.561SS.*Hα-helixtrans-65.6-44.8172.6-71.6-172.2-144.600112.3K276 L277 S283 Q284K276-M280 HydrophobicContact CD-CE 3.77Å; K276-M280 VanDerWaalsContact CE-CE 3.44Å; K276-M280 HydrophobicContact CG-CE 3.72Å; K276-M280 WeakPolarHBondContact O-CG 3.32Å; K276-M280 PolarHBondContact O-N 3.25Å; L277-M280 WeakPolarHBondContact O-CB 3.1Å; L277-M280 PolarHBondContact O-N 2.86Å; L277-M280 VanDerWaalsContact O-N 3.09Å; M280-S283 WeakPolarHBondContact CA-OG 3.47Å; M280-S283 PolarHBondContact O-N 3.37Å; M280-S283 PolarHBondContact O-OG 2.88Å; M280-Q284 VanDerWaalsContact O-CB 3.28Å; M280-Q284 WeakPolarHBondContact O-CB 3.4Å; M280-Q284 PolarHBondContact O-N 3.48Å
281Y82.9Confident75.4Confident154 Ų154104.2 Ų104.260%0.60457%0.57SS**Hα-helixtrans-65-42177.4-83.7-72.2000111.1L277 E278 Q284 L285L277-Y281 HydrophobicContact CB-CD2 4.47Å; L277-Y281 WeakPolarHBondContact O-CD2 3.32Å; L277-Y281 PolarHBondContact O-N 3.43Å; E278-Y281 PolarHBondContact O-N 2.87Å; Y281-Q284 PolarHBondContact O-N 2.93Å; Y281-L285 WeakPolarHBondContact O-CB 3.16Å; Y281-L285 PolarHBondContact O-N 3.18Å
282K80.1Confident73.3Confident108 Ų108104.6 Ų104.647%0.4757%0.57SS.*Hα-helixtrans-62.9-42.3173.3-76.1175.2-177.6168.20111.7E278 L286E278-K282 HydrophobicContact CG-CD 4.2Å; E278-K282 VanDerWaalsContact O-CB 3.27Å; E278-K282 WeakPolarHBondContact O-CB 3.44Å; E278-K282 VanDerWaalsContact O-CG 3.24Å; E278-K282 WeakPolarHBondContact O-CG 3.08Å; E278-K282 PolarHBondContact O-N 3.44Å; E278-K282 WeakPolarHBondContact OE1-CE 3.5Å; E278-K282 IonicContact OE1-NZ 2.62Å; E278-K282 PolarHBondContact OE1-NZ 2.88Å; E278-K282 IonicContact OE2-NZ 3.81Å; K282-L286 WeakPolarHBondContact O-CB 3.44Å; K282-L286 WeakPolarHBondContact O-CD1 3.49Å; K282-L286 WeakPolarHBondContact O-CG 3.29Å; K282-L286 PolarHBondContact O-N 3.07Å
283S74.1Confident71.4Confident75 Ų75106.4 Ų106.452%0.52457%0.571SS.*Hα-helixtrans-72.4-27.9178.666.30000113.1T279 M280 L286 S287T279-S283 VanDerWaalsContact O-CB 3.32Å; T279-S283 WeakPolarHBondContact O-CB 3.34Å; T279-S283 PolarHBondContact O-N 3.44Å; T279-S283 PolarHBondContact O-OG 2.9Å; T279-S283 VanDerWaalsContact O-OG 3.09Å; M280-S283 WeakPolarHBondContact CA-OG 3.47Å; M280-S283 PolarHBondContact O-N 3.37Å; M280-S283 PolarHBondContact O-OG 2.88Å; S283-L286 CarbonylContact O-C 3.34Å; S283-S287 PolarHBondContact O-N 3.35Å; S283-S287 VanDerWaalsContact O-N 3.12Å
284Q66.1Low69.5Low155 Ų155112.3 Ų112.372%0.72459%0.587SS**Hα-helixtrans-79.7-37175.5-167.715626.500112.7M280 Y281 L286 S287M280-Q284 VanDerWaalsContact O-CB 3.28Å; M280-Q284 WeakPolarHBondContact O-CB 3.4Å; M280-Q284 PolarHBondContact O-N 3.48Å; Y281-Q284 PolarHBondContact O-N 2.93Å; Q284-L286 VanDerWaalsContact C-N 3.26Å; Q284-S287 PolarHBondContact O-N 3.03Å
285L59.4Low67.8Low151 Ų151111.8 Ų111.879%0.79159%0.588SS**Hα-helixtrans-67-29.4167.1-92.9141.8000112.1Y281Y281-L285 WeakPolarHBondContact O-CB 3.16Å; Y281-L285 PolarHBondContact O-N 3.18Å
286L54.1Low66Low111 Ų111109.8 Ų109.858%0.58158%0.581SS**THydrogen-bonded Turntrans-104.444.1174.9-57.9170.8000111.2K282 S283 Q284 P288K282-L286 WeakPolarHBondContact O-CB 3.44Å; K282-L286 WeakPolarHBondContact O-CD1 3.49Å; K282-L286 WeakPolarHBondContact O-CG 3.29Å; K282-L286 PolarHBondContact O-N 3.07Å; S283-L286 CarbonylContact O-C 3.34Å; Q284-L286 VanDerWaalsContact C-N 3.26Å; L286-P288 VanDerWaalsContact O-CD 3.26Å; L286-P288 WeakPolarHBondContact O-CD 3.5Å
287S50.3Low64.6Low75 Ų75106.8 Ų106.852%0.52457%0.571SS.*  trans-48122.3155.6173.70000106.7S283 Q284 G289S283-S287 PolarHBondContact O-N 3.35Å; S283-S287 VanDerWaalsContact O-N 3.12Å; Q284-S287 PolarHBondContact O-N 3.03Å; S287-G289 PolarHBondContact O-N 2.65Å
288P49Very low63.9Low140 Ų140107.5 Ų107.591%0.90957%0.574SS**SBendtrans-71.373.7176.527.7-30.4000108.2L286L286-P288 VanDerWaalsContact O-CD 3.26Å; L286-P288 WeakPolarHBondContact O-CD 3.5Å
289G50.2Low63.4Low52 Ų52108.5 Ų108.554%0.53658%0.579SS.*SBendtrans-165.882.2-17500000105.7S287S287-G289 PolarHBondContact O-N 2.65Å
290Q47.8Very low63Low178 Ų178109.8 Ų109.883%0.83259%0.587SS**  trans82.963169.6-148.4162.515.900115.5S292Q290-S292 PolarHBondContact O-N 2.88Å
291T46.3Very low62.4Low109 Ų109109 Ų10967%0.66959%0.586SS**  trans-63.384.714653.70000107.2N293T291-N293 PolarHBondContact O-N 2.85Å; T291-N293 VanDerWaalsContact O-N 3.16Å
292S50.5Low62.1Low57 Ų57105.9 Ų105.940%0.39958%0.58SS.*  trans-63.6118.2171.259.90000107Q290 K294 D297Q290-S292 PolarHBondContact O-N 2.88Å; S292-K294 PolarHBondContact O-N 3.42Å; S292-D297 WeakPolarHBondContact CB-OD1 3.42Å; S292-D297 PolarHBondContact OG-OD1 3.38Å; S292-D297 PolarHBondContact OG-OD2 3.47Å; S292-D297 VanDerWaalsContact OG-OD2 3.09Å
293N54.8Low62.2Low98 Ų98104.4 Ų104.452%0.52458%0.577SS.*  trans-58.3126.2171.5-58.5-62.2000106.1T291 I295 D296 D297T291-N293 PolarHBondContact O-N 2.85Å; T291-N293 VanDerWaalsContact O-N 3.16Å; N293-I295 CarbonylContact O-C 3.6Å; N293-I295 PolarHBondContact O-N 3.44Å; N293-D296 HydrophobicContact CB-CB 4.31Å; N293-D296 WeakPolarHBondContact CB-OD2 3.48Å; N293-D296 PolarHBondContact ND2-OD2 3.23Å; N293-D296 WeakPolarHBondContact O-CA 3.37Å; N293-D296 WeakPolarHBondContact O-CB 3.44Å; N293-D296 PolarHBondContact O-N 2.97Å; N293-D297 PolarHBondContact O-N 3.42Å; N293-D297 VanDerWaalsContact O-N 3.09Å
294K55.4Low62.3Low175 Ų175105.8 Ų105.876%0.76158%0.576SS**Hα-helixtrans-53.4-15.3178.8-163.2172.2-177.3175.70114S292S292-K294 PolarHBondContact O-N 3.42Å
295I56.8Low62.6Low131 Ų131103.2 Ų103.267%0.67257%0.567SS**Hα-helixtrans-82.4-42.6173.8-59.7168.1000110.7N293 D297 I298 E299N293-I295 CarbonylContact O-C 3.6Å; N293-I295 PolarHBondContact O-N 3.44Å; I295-D297 PolarHBondContact O-N 3.45Å; I295-I298 PolarHBondContact O-N 2.89Å; I295-E299 PolarHBondContact O-N 3.23Å; I295-E299 VanDerWaalsContact O-N 3.1Å
296D57.8Low63.4Low74 Ų7499.9 Ų99.940%0.39656%0.555SS.*Hα-helixtrans-63-33172.1-64.2-29.4000110.6N293 T300N293-D296 HydrophobicContact CB-CB 4.31Å; N293-D296 WeakPolarHBondContact CB-OD2 3.48Å; N293-D296 PolarHBondContact ND2-OD2 3.23Å; N293-D296 WeakPolarHBondContact O-CA 3.37Å; N293-D296 WeakPolarHBondContact O-CB 3.44Å; N293-D296 PolarHBondContact O-N 2.97Å; D296-T300 WeakPolarHBondContact O-CA 3.05Å; D296-T300 WeakPolarHBondContact O-CB 3.39Å; D296-T300 PolarHBondContact O-N 3.3Å; D296-T300 PolarHBondContact O-OG1 2.91Å
297D65.4Low64.4Low68 Ų68100 Ų10036%0.36456%0.557SS.*Hα-helixtrans-65.3-42.8177.6-69.8-28.5000112.5S292 N293 I295 V301S292-D297 WeakPolarHBondContact CB-OD1 3.42Å; S292-D297 PolarHBondContact OG-OD1 3.38Å; S292-D297 PolarHBondContact OG-OD2 3.47Å; S292-D297 VanDerWaalsContact OG-OD2 3.09Å; N293-D297 PolarHBondContact O-N 3.42Å; N293-D297 VanDerWaalsContact O-N 3.09Å; I295-D297 PolarHBondContact O-N 3.45Å; D297-V301 VanDerWaalsContact O-CB 3.27Å; D297-V301 WeakPolarHBondContact O-CB 3.31Å; D297-V301 WeakPolarHBondContact O-CG2 3.44Å; D297-V301 PolarHBondContact O-N 3.46Å
298I74.5Confident65.4Low108 Ų10897.8 Ų97.855%0.55454%0.541SS*.Hα-helixtrans-73-43.6-179.9-63.6171.2000110.4I295 T300 V301 I302I295-I298 PolarHBondContact O-N 2.89Å; I298-T300 VanDerWaalsContact C-N 3.34Å; I298-V301 PolarHBondContact O-N 3.47Å; I298-I302 HydrophobicContact CG2-CD1 3.8Å; I298-I302 HydrophobicContact CG2-CG1 4.4Å; I298-I302 WeakPolarHBondContact O-CB 3.34Å; I298-I302 VanDerWaalsContact O-CG1 3.23Å; I298-I302 WeakPolarHBondContact O-CG1 3.43Å; I298-I302 PolarHBondContact O-N 3.04Å
299E80.1Confident66.5Low112 Ų112100.6 Ų100.652%0.52353%0.533SS..Hα-helixtrans-65.7-38.4176.6-175.6166.8-172.700111.6I295 I302 N303I295-E299 PolarHBondContact O-N 3.23Å; I295-E299 VanDerWaalsContact O-N 3.1Å; E299-I302 PolarHBondContact O-N 3.1Å; E299-N303 VanDerWaalsContact O-CB 3.24Å; E299-N303 WeakPolarHBondContact O-CB 3.38Å; E299-N303 VanDerWaalsContact O-CG 3.3Å; E299-N303 PolarHBondContact O-N 2.86Å; E299-N303 PolarHBondContact O-ND2 2.97Å
300T79.4Confident67.3Low86 Ų86102 Ų10253%0.52854%0.535SS..Hα-helixtrans-65.7-40.7173.4-62.10000111.2D296 I298 N303 M304D296-T300 WeakPolarHBondContact O-CA 3.05Å; D296-T300 WeakPolarHBondContact O-CB 3.39Å; D296-T300 PolarHBondContact O-N 3.3Å; D296-T300 PolarHBondContact O-OG1 2.91Å; I298-T300 VanDerWaalsContact C-N 3.34Å; T300-N303 PolarHBondContact O-N 2.76Å; T300-M304 WeakPolarHBondContact O-CB 3.33Å; T300-M304 PolarHBondContact O-N 3.25Å
301V75.1Confident68.3Low71 Ų7198.9 Ų98.943%0.4352%0.519SS..Hα-helixtrans-65.1-43174.8166.90000110.9D297 I298 M304 L305D297-V301 VanDerWaalsContact O-CB 3.27Å; D297-V301 WeakPolarHBondContact O-CB 3.31Å; D297-V301 WeakPolarHBondContact O-CG2 3.44Å; D297-V301 PolarHBondContact O-N 3.46Å; I298-V301 PolarHBondContact O-N 3.47Å; V301-M304 PolarHBondContact O-N 2.74Å; V301-L305 HydrophobicContact CG1-CD1 3.7Å; V301-L305 HydrophobicContact CG1-CG 4.43Å; V301-L305 WeakPolarHBondContact O-CB 3.37Å; V301-L305 WeakPolarHBondContact O-CD1 3.41Å; V301-L305 VanDerWaalsContact O-CG 3.22Å; V301-L305 WeakPolarHBondContact O-CG 3.38Å; V301-L305 PolarHBondContact O-N 2.94Å
302I77.5Confident69.4Low90 Ų9097.7 Ų97.746%0.46251%0.508SS..Hα-helixtrans-63.8-46176-70.1167.7000110.5I298 E299 M304 L305 C306I298-I302 HydrophobicContact CG2-CD1 3.8Å; I298-I302 HydrophobicContact CG2-CG1 4.4Å; I298-I302 WeakPolarHBondContact O-CB 3.34Å; I298-I302 VanDerWaalsContact O-CG1 3.23Å; I298-I302 WeakPolarHBondContact O-CG1 3.43Å; I298-I302 PolarHBondContact O-N 3.04Å; E299-I302 PolarHBondContact O-N 3.1Å; I302-M304 VanDerWaalsContact C-N 3.34Å; I302-M304 PolarHBondContact O-N 2.89Å; I302-L305 PolarHBondContact O-N 3.12Å; I302-C306 WeakPolarHBondContact O-CB 3.41Å; I302-C306 PolarHBondContact O-N 3.48Å; I302-C306 PolarHBondContact O-SG 2.79Å; I302-C306 VanDerWaalsContact O-SG 3.36Å
303N81.8Confident70.2Confident76 Ų76103.1 Ų103.141%0.40652%0.52SS..Hα-helixtrans-65.4-38.4177.2-77.5-27.1000111.4E299 T300 C306 N307E299-N303 VanDerWaalsContact O-CB 3.24Å; E299-N303 WeakPolarHBondContact O-CB 3.38Å; E299-N303 VanDerWaalsContact O-CG 3.3Å; E299-N303 PolarHBondContact O-N 2.86Å; E299-N303 PolarHBondContact O-ND2 2.97Å; T300-N303 PolarHBondContact O-N 2.76Å; N303-C306 PolarHBondContact O-N 3.36Å; N303-N307 WeakPolarHBondContact O-CB 3.48Å; N303-N307 PolarHBondContact O-N 3.23Å; N303-N307 PolarHBondContact O-ND2 3.04Å
304M76.4Confident70.9Confident104 Ų104102.3 Ų102.351%0.51251%0.514SS..Hα-helixtrans-64.8-42.4173.9180-91.8-69.200111.6T300 V301 I302 N307 S308T300-M304 WeakPolarHBondContact O-CB 3.33Å; T300-M304 PolarHBondContact O-N 3.25Å; V301-M304 PolarHBondContact O-N 2.74Å; I302-M304 VanDerWaalsContact C-N 3.34Å; I302-M304 PolarHBondContact O-N 2.89Å; M304-N307 PolarHBondContact O-N 2.84Å; M304-S308 WeakPolarHBondContact O-CB 3.24Å; M304-S308 PolarHBondContact O-N 3.41Å; M304-S308 PolarHBondContact O-OG 3.13Å
305L72.2Confident71.3Confident102 Ų102101.8 Ų101.853%0.53451%0.508SS..Hα-helixtrans-64.6-41173.7-76.1160.4000112.1V301 I302 S308 R309V301-L305 HydrophobicContact CG1-CD1 3.7Å; V301-L305 HydrophobicContact CG1-CG 4.43Å; V301-L305 WeakPolarHBondContact O-CB 3.37Å; V301-L305 WeakPolarHBondContact O-CD1 3.41Å; V301-L305 VanDerWaalsContact O-CG 3.22Å; V301-L305 WeakPolarHBondContact O-CG 3.38Å; V301-L305 PolarHBondContact O-N 2.94Å; I302-L305 PolarHBondContact O-N 3.12Å; L305-S308 WeakPolarHBondContact CA-OG 3.27Å; L305-S308 PolarHBondContact O-N 3.24Å; L305-S308 PolarHBondContact O-OG 3Å; L305-S308 VanDerWaalsContact O-OG 3.11Å; L305-R309 PolarHBondContact O-N 3.36Å
306C75.4Confident71.7Confident80 Ų8098.9 Ų98.954%0.54149%0.493SS..Hα-helixtrans-67.1-41176.4-78.50000111.7I302 N303 R309I302-C306 WeakPolarHBondContact O-CB 3.41Å; I302-C306 PolarHBondContact O-N 3.48Å; I302-C306 PolarHBondContact O-SG 2.79Å; I302-C306 VanDerWaalsContact O-SG 3.36Å; N303-C306 PolarHBondContact O-N 3.36Å; C306-R309 WeakPolarHBondContact O-CB 3.47Å; C306-R309 PolarHBondContact O-N 3.37Å
307N76.3Confident72.4Confident115 Ų11597.8 Ų97.862%0.61549%0.487SS*.Hα-helixtrans-70.6-37.6176.2-69.8-26000111.5N303 M304 R309 S310N303-N307 WeakPolarHBondContact O-CB 3.48Å; N303-N307 PolarHBondContact O-N 3.23Å; N303-N307 PolarHBondContact O-ND2 3.04Å; M304-N307 PolarHBondContact O-N 2.84Å; N307-R309 VanDerWaalsContact C-N 3.25Å; N307-R309 PolarHBondContact O-N 3.37Å; N307-S310 PolarHBondContact O-OG 3.21Å
308S70.7Confident72.8Confident28 Ų2898 Ų9820%0.19649%0.488CS..Hα-helixtrans-75.7-10.4176.6750000113.1M304 L305 S310 K311 L312M304-S308 WeakPolarHBondContact O-CB 3.24Å; M304-S308 PolarHBondContact O-N 3.41Å; M304-S308 PolarHBondContact O-OG 3.13Å; L305-S308 WeakPolarHBondContact CA-OG 3.27Å; L305-S308 PolarHBondContact O-N 3.24Å; L305-S308 PolarHBondContact O-OG 3Å; L305-S308 VanDerWaalsContact O-OG 3.11Å; S308-S310 PolarHBondContact O-N 2.97Å; S308-K311 CarbonylContact O-C 3.07Å; S308-K311 WeakPolarHBondContact O-CA 3.44Å; S308-K311 PolarHBondContact O-N 2.92Å; S308-L312 PolarHBondContact O-N 3.1Å
309R71.6Confident72.8Confident199 Ų199100.1 Ų100.175%0.75149%0.493SS*.THydrogen-bonded Turntrans-52.2-38.9171.2-173.1-179.9176.7-179.2-0.2112.3L305 C306 N307 K311 L312L305-R309 PolarHBondContact O-N 3.36Å; C306-R309 WeakPolarHBondContact O-CB 3.47Å; C306-R309 PolarHBondContact O-N 3.37Å; N307-R309 VanDerWaalsContact C-N 3.25Å; N307-R309 PolarHBondContact O-N 3.37Å; R309-K311 VanDerWaalsContact C-N 3.27Å; R309-K311 PolarHBondContact O-N 3.43Å; R309-L312 WeakPolarHBondContact O-CB 3.31Å; R309-L312 PolarHBondContact O-N 3.03Å
310S67.5Low72.4Confident80 Ų80102.3 Ų102.356%0.55950%0.498SS*.THydrogen-bonded Turntrans-67.4-26.6176.364.30000112.8N307 S308 Y313N307-S310 PolarHBondContact O-OG 3.21Å; S308-S310 PolarHBondContact O-N 2.97Å; S310-Y313 WeakPolarHBondContact O-CD1 3.29Å; S310-Y313 WeakPolarHBondContact O-CE1 3.43Å
311K69.3Low72.3Confident114 Ų11499.4 Ų99.450%0.49648%0.48SS..THydrogen-bonded Turntrans-100.5-1.8178.3-59.4-176.9-179.4-178.30112.9S308 R309 Y313 E314 Y315S308-K311 CarbonylContact O-C 3.07Å; S308-K311 WeakPolarHBondContact O-CA 3.44Å; S308-K311 PolarHBondContact O-N 2.92Å; R309-K311 VanDerWaalsContact C-N 3.27Å; R309-K311 PolarHBondContact O-N 3.43Å; K311-Y313 PolarHBondContact O-N 3.5Å; K311-E314 WeakPolarHBondContact O-CA 3.31Å; K311-E314 WeakPolarHBondContact O-CB 3.09Å; K311-E314 PolarHBondContact O-N 3.32Å; K311-Y315 HydrophobicContact CB-CD2 4.47Å; K311-Y315 HydrophobicContact CB-CE2 4.05Å; K311-Y315 VanDerWaalsContact O-CD2 3.23Å; K311-Y315 WeakPolarHBondContact O-CD2 3.28Å; K311-Y315 PolarHBondContact O-N 3.48Å
312L68.6Low72.4Confident84 Ų8499.6 Ų99.644%0.4448%0.482SS..Hα-helixtrans-61.4-33.4-177.2-166.874.3000111.3S308 R309 E314 Y315 L316S308-L312 PolarHBondContact O-N 3.1Å; R309-L312 WeakPolarHBondContact O-CB 3.31Å; R309-L312 PolarHBondContact O-N 3.03Å; L312-E314 PolarHBondContact O-N 3.09Å; L312-Y315 PolarHBondContact O-N 3.03Å; L312-L316 HydrophobicContact CD1-CD1 4.36Å; L312-L316 HydrophobicContact CD1-CG 4.47Å; L312-L316 HydrophobicContact CD2-CD1 3.84Å; L312-L316 HydrophobicContact CG-CD1 3.64Å; L312-L316 HydrophobicContact CG-CG 4.06Å; L312-L316 VanDerWaalsContact O-CB 3.23Å; L312-L316 WeakPolarHBondContact O-CB 3.43Å; L312-L316 WeakPolarHBondContact O-CG 3.37Å; L312-L316 PolarHBondContact O-N 3.5Å
313Y68.1Low72.5Confident170 Ų17099.4 Ų99.467%0.66749%0.487SS*.Hα-helixtrans-63.2-25.8175.274.9-97.9000112.9S310 K311 D317S310-Y313 WeakPolarHBondContact O-CD1 3.29Å; S310-Y313 WeakPolarHBondContact O-CE1 3.43Å; K311-Y313 PolarHBondContact O-N 3.5Å; Y313-D317 WeakPolarHBondContact O-CB 3.41Å; Y313-D317 PolarHBondContact O-N 3.35Å; Y313-D317 VanDerWaalsContact O-N 3.12Å
314E69.4Low72.5Confident81 Ų81103 Ų10338%0.37950%0.501SS..Hα-helixtrans-77.4-41.3179.2-163.7171.2-166.600110.4K311 L312 D317 Y320K311-E314 WeakPolarHBondContact O-CA 3.31Å; K311-E314 WeakPolarHBondContact O-CB 3.09Å; K311-E314 PolarHBondContact O-N 3.32Å; L312-E314 PolarHBondContact O-N 3.09Å; E314-D317 PolarHBondContact O-N 3.46Å; E314-Y320 HydrophobicContact CG-CE2 4.04Å; E314-Y320 WeakPolarHBondContact O-CD2 3.32Å
315Y63.6Low72.6Confident165 Ų165102.7 Ų102.765%0.64750%0.5SS*.Hα-helixtrans-73.7-26.2173.9-63.6-71.6000113.7K311 L312K311-Y315 HydrophobicContact CB-CD2 4.47Å; K311-Y315 HydrophobicContact CB-CE2 4.05Å; K311-Y315 VanDerWaalsContact O-CD2 3.23Å; K311-Y315 WeakPolarHBondContact O-CD2 3.28Å; K311-Y315 PolarHBondContact O-N 3.48Å; L312-Y315 PolarHBondContact O-N 3.03Å
316L65.4Low73Confident69 Ų69102.8 Ų102.836%0.36149%0.493SS..THydrogen-bonded Turntrans-93.95.7176.9-63.3-178.4000112.4L312 I318 F333L312-L316 HydrophobicContact CD1-CD1 4.36Å; L312-L316 HydrophobicContact CD1-CG 4.47Å; L312-L316 HydrophobicContact CD2-CD1 3.84Å; L312-L316 HydrophobicContact CG-CD1 3.64Å; L312-L316 HydrophobicContact CG-CG 4.06Å; L312-L316 VanDerWaalsContact O-CB 3.23Å; L312-L316 WeakPolarHBondContact O-CB 3.43Å; L312-L316 WeakPolarHBondContact O-CG 3.37Å; L312-L316 PolarHBondContact O-N 3.5Å; L316-I318 PolarHBondContact O-N 3.16Å; L316-F333 HydrophobicContact CB-CD1 4.49Å; L316-F333 HydrophobicContact CB-CE1 3.49Å; L316-F333 VanDerWaalsContact CB-CE1 3.49Å; L316-F333 HydrophobicContact CB-CZ 3.98Å; L316-F333 HydrophobicContact CD1-CE1 4.44Å; L316-F333 HydrophobicContact CD2-CE1 3.53Å; L316-F333 HydrophobicContact CD2-CZ 4.09Å; L316-F333 HydrophobicContact CG-CE1 3.93Å; L316-F333 WeakPolarHBondContact O-CE1 3.33Å; L316-F333 WeakPolarHBondContact O-CZ 3.31Å
317D72.8Confident73.3Confident51 Ų51106.9 Ų106.927%0.27350%0.504SS..  trans-78.1122.5173.6-164.8-7.4000109.4Y313 E314 K319 Y320Y313-D317 WeakPolarHBondContact O-CB 3.41Å; Y313-D317 PolarHBondContact O-N 3.35Å; Y313-D317 VanDerWaalsContact O-N 3.12Å; E314-D317 PolarHBondContact O-N 3.46Å; D317-K319 PolarHBondContact O-N 3.42Å; D317-K319 WeakPolarHBondContact OD1-CG 3.47Å; D317-K319 PolarHBondContact OD1-N 3.19Å; D317-K319 WeakPolarHBondContact OD2-CD 3.49Å; D317-K319 IonicContact OD2-NZ 3.79Å; D317-Y320 HydrophobicContact CB-CD2 3.98Å; D317-Y320 HydrophobicContact CB-CE2 4.28Å; D317-Y320 PolarHBondContact O-N 3.21Å
318I72.3Confident73.6Confident72 Ų72107.2 Ų107.237%0.36950%0.502SS..G310 helixtrans-57-21.1179.6-64.5166.5000111.2L316 Y320 V321 R326 F333L316-I318 PolarHBondContact O-N 3.16Å; I318-Y320 VanDerWaalsContact C-N 3.28Å; I318-Y320 PolarHBondContact O-N 3.19Å; I318-V321 PolarHBondContact O-N 3.28Å; I318-R326 HydrophobicContact CG2-CG 4.14Å; I318-R326 PolarHBondContact O-NE 3.33Å; I318-F333 HydrophobicContact CD1-CD2 4.1Å; I318-F333 HydrophobicContact CG1-CD2 3.7Å; I318-F333 HydrophobicContact CG1-CE2 3.7Å
319K75.1Confident74Confident154 Ų154106.8 Ų106.867%0.6750%0.501SS*.G310 helixtrans-60-34.3175.8-65.8180-165.9163.40113.6D317 R326D317-K319 PolarHBondContact O-N 3.42Å; D317-K319 WeakPolarHBondContact OD1-CG 3.47Å; D317-K319 PolarHBondContact OD1-N 3.19Å; D317-K319 WeakPolarHBondContact OD2-CD 3.49Å; D317-K319 IonicContact OD2-NZ 3.79Å; K319-R326 PolarHBondContact O-NH2 2.91Å
320Y72.3Confident74.5Confident158 Ų15898.8 Ų98.862%0.6248%0.477SS*.G310 helixtrans-90.5-2.8-179.1-61.5-74.3000113.5E314 D317 I318E314-Y320 HydrophobicContact CG-CE2 4.04Å; E314-Y320 WeakPolarHBondContact O-CD2 3.32Å; D317-Y320 HydrophobicContact CB-CD2 3.98Å; D317-Y320 HydrophobicContact CB-CE2 4.28Å; D317-Y320 PolarHBondContact O-N 3.21Å; I318-Y320 VanDerWaalsContact C-N 3.28Å; I318-Y320 PolarHBondContact O-N 3.19Å
321V76.1Confident75.2Confident24 Ų2499.2 Ų99.215%0.14548%0.476CS..SBendtrans-82.9129.5174.7-176.90000109.2I318 M325 R326 A329I318-V321 PolarHBondContact O-N 3.28Å; V321-M325 HydrophobicContact CG1-CB 3.88Å; V321-R326 HydrophobicContact CB-CG 4.13Å; V321-R326 HydrophobicContact CG1-CG 4.12Å; V321-R326 PolarHBondContact O-NE 3.39Å; V321-A329 HydrophobicContact CG1-CB 3.91Å; V321-A329 HydrophobicContact CG2-CB 4.17Å
322P78.6Confident75.8Confident75 Ų7598.1 Ų98.149%0.48748%0.479SS..  trans-51.6139.3172.7-2634000111.2E324 M325 R326P322-E324 WeakPolarHBondContact CB-OE2 3.44Å; P322-E324 PolarHBondContact O-N 3.43Å; P322-M325 PolarHBondContact O-N 2.8Å; P322-R326 PolarHBondContact O-N 3.19Å
323P78.3Confident76.4Confident86 Ų8696.3 Ų96.356%0.55847%0.467SS*.G310 helixtrans-55.3-30.4-171.920.4-29.9000113.6M325 R326P323-M325 VanDerWaalsContact C-N 3.3Å; P323-M325 PolarHBondContact O-N 3.16Å; P323-R326 PolarHBondContact O-N 3.34Å
324E82.8Confident77Confident152 Ų15292.5 Ų92.571%0.7146%0.459SS*.G310 helixtrans-63.2-32.9177.8-60.375-162.200113P322P322-E324 WeakPolarHBondContact CB-OE2 3.44Å; P322-E324 PolarHBondContact O-N 3.43Å
325M78.6Confident77.5Confident97 Ų9792.1 Ų92.148%0.47846%0.462SS..G310 helixtrans-103.32.5-174.5-62.7-66-72.400112.9V321 P322 P323 E327 E328 A329V321-M325 HydrophobicContact CG1-CB 3.88Å; P322-M325 PolarHBondContact O-N 2.8Å; P323-M325 VanDerWaalsContact C-N 3.3Å; P323-M325 PolarHBondContact O-N 3.16Å; M325-E327 PolarHBondContact O-N 3.16Å; M325-E328 VanDerWaalsContact CE-OE2 3.24Å; M325-E328 WeakPolarHBondContact CE-OE2 3.47Å; M325-E328 PolarHBondContact O-N 2.94Å; M325-A329 VanDerWaalsContact O-CB 3.26Å; M325-A329 WeakPolarHBondContact O-CB 3.2Å; M325-A329 PolarHBondContact O-N 2.87Å
326R81Confident78.1Confident104 Ų10488.3 Ų88.339%0.39245%0.453SS..Hα-helixtrans-66.1-35.9-174.5-78-177.4-177.9177.1-3.5113.4I318 K319 V321 P322 P323 A330I318-R326 HydrophobicContact CG2-CG 4.14Å; I318-R326 PolarHBondContact O-NE 3.33Å; K319-R326 PolarHBondContact O-NH2 2.91Å; V321-R326 HydrophobicContact CB-CG 4.13Å; V321-R326 HydrophobicContact CG1-CG 4.12Å; V321-R326 PolarHBondContact O-NE 3.39Å; P322-R326 PolarHBondContact O-N 3.19Å; P323-R326 PolarHBondContact O-N 3.34Å; R326-A330 WeakPolarHBondContact O-CB 3.43Å; R326-A330 PolarHBondContact O-N 2.87Å
327E80.8Confident78.7Confident166 Ų16690.3 Ų90.378%0.77646%0.458SS*.Hα-helixtrans-68.3-42.4178.9-64.4-172173.300111.6M325 A330 T331M325-E327 PolarHBondContact O-N 3.16Å; E327-A330 PolarHBondContact O-N 3.29Å; E327-T331 PolarHBondContact O-N 3.48Å; E327-T331 VanDerWaalsContact O-N 3.1Å; E327-T331 PolarHBondContact O-OG1 2.97Å
328E83.1Confident78.9Confident122 Ų12292.7 Ų92.757%0.5747%0.471SS*.Hα-helixtrans-67.5-46.2175.9-60.9-169.3170.700111.3M325 A330 T331 V332M325-E328 VanDerWaalsContact CE-OE2 3.24Å; M325-E328 WeakPolarHBondContact CE-OE2 3.47Å; M325-E328 PolarHBondContact O-N 2.94Å; E328-A330 VanDerWaalsContact C-N 3.34Å; E328-A330 PolarHBondContact O-N 2.9Å; E328-T331 WeakPolarHBondContact O-CB 3.42Å; E328-T331 PolarHBondContact O-N 3.4Å; E328-T331 VanDerWaalsContact O-N 3.09Å; E328-V332 PolarHBondContact O-N 3.33Å
329A79.6Confident78.8Confident20 Ų2094.9 Ų94.917%0.16548%0.481CS..Hα-helixtrans-60.8-42.8176.200000111.5V321 M325 T331 V332 F333V321-A329 HydrophobicContact CG1-CB 3.91Å; V321-A329 HydrophobicContact CG2-CB 4.17Å; M325-A329 VanDerWaalsContact O-CB 3.26Å; M325-A329 WeakPolarHBondContact O-CB 3.2Å; M325-A329 PolarHBondContact O-N 2.87Å; A329-T331 PolarHBondContact O-N 3.47Å; A329-V332 PolarHBondContact O-N 3.31Å; A329-V332 VanDerWaalsContact O-N 3.16Å; A329-F333 VanDerWaalsContact C-CD2 3.48Å; A329-F333 HydrophobicContact CB-CD2 4.32Å; A329-F333 HydrophobicContact CB-CE2 3.96Å; A329-F333 WeakPolarHBondContact O-CD2 3.44Å; A329-F333 WeakPolarHBondContact O-CG 3.37Å; A329-F333 PolarHBondContact O-N 2.94Å
330A80.4Confident78.2Confident30 Ų3092.3 Ų92.325%0.24848%0.481CS..Hα-helixtrans-60.3-35.317500000112.2R326 E327 E328 F333 N334R326-A330 WeakPolarHBondContact O-CB 3.43Å; R326-A330 PolarHBondContact O-N 2.87Å; E327-A330 PolarHBondContact O-N 3.29Å; E328-A330 VanDerWaalsContact C-N 3.34Å; E328-A330 PolarHBondContact O-N 2.9Å; A330-F333 PolarHBondContact O-N 3.33Å; A330-N334 WeakPolarHBondContact O-CB 3.49Å; A330-N334 PolarHBondContact O-N 2.94Å; A330-N334 PolarHBondContact O-ND2 2.86Å; A330-N334 VanDerWaalsContact O-ND2 3.1Å
331T83.3Confident77.9Confident89 Ų8993.2 Ų93.255%0.54648%0.484SS..Hα-helixtrans-66.2-45.5174.9-57.20000111.2E327 E328 A329 N334 T335E327-T331 PolarHBondContact O-N 3.48Å; E327-T331 VanDerWaalsContact O-N 3.1Å; E327-T331 PolarHBondContact O-OG1 2.97Å; E328-T331 WeakPolarHBondContact O-CB 3.42Å; E328-T331 PolarHBondContact O-N 3.4Å; E328-T331 VanDerWaalsContact O-N 3.09Å; A329-T331 PolarHBondContact O-N 3.47Å; T331-N334 PolarHBondContact O-N 2.75Å; T331-T335 WeakPolarHBondContact O-CG2 3.43Å; T331-T335 PolarHBondContact O-N 3.41Å; T331-T335 PolarHBondContact O-OG1 2.64Å
332V82.6Confident77Confident92 Ų9295 Ų9556%0.55850%0.497SS*.Hα-helixtrans-63.4-40.8174.8176.90000111.6E328 A329 N334 T335 L336E328-V332 PolarHBondContact O-N 3.33Å; A329-V332 PolarHBondContact O-N 3.31Å; A329-V332 VanDerWaalsContact O-N 3.16Å; V332-N334 PolarHBondContact O-N 3.09Å; V332-T335 WeakPolarHBondContact CA-OG1 3.42Å; V332-T335 PolarHBondContact O-N 2.98Å; V332-T335 PolarHBondContact O-OG1 3.43Å; V332-L336 VanDerWaalsContact O-CB 3.32Å; V332-L336 WeakPolarHBondContact O-CB 3.44Å; V332-L336 PolarHBondContact O-N 3.12Å
333F80.5Confident75.8Confident45 Ų45101.9 Ų101.920%0.19751%0.513CS..Hα-helixtrans-63.1-42.3175.7-73.5-54.1000112.3L316 I318 A329 A330 L336 K337L316-F333 HydrophobicContact CB-CD1 4.49Å; L316-F333 HydrophobicContact CB-CE1 3.49Å; L316-F333 VanDerWaalsContact CB-CE1 3.49Å; L316-F333 HydrophobicContact CB-CZ 3.98Å; L316-F333 HydrophobicContact CD1-CE1 4.44Å; L316-F333 HydrophobicContact CD2-CE1 3.53Å; L316-F333 HydrophobicContact CD2-CZ 4.09Å; L316-F333 HydrophobicContact CG-CE1 3.93Å; L316-F333 WeakPolarHBondContact O-CE1 3.33Å; L316-F333 WeakPolarHBondContact O-CZ 3.31Å; I318-F333 HydrophobicContact CD1-CD2 4.1Å; I318-F333 HydrophobicContact CG1-CD2 3.7Å; I318-F333 HydrophobicContact CG1-CE2 3.7Å; A329-F333 VanDerWaalsContact C-CD2 3.48Å; A329-F333 HydrophobicContact CB-CD2 4.32Å; A329-F333 HydrophobicContact CB-CE2 3.96Å; A329-F333 WeakPolarHBondContact O-CD2 3.44Å; A329-F333 WeakPolarHBondContact O-CG 3.37Å; A329-F333 PolarHBondContact O-N 2.94Å; A330-F333 PolarHBondContact O-N 3.33Å; F333-L336 PolarHBondContact O-N 2.93Å; F333-K337 WeakPolarHBondContact O-CB 3.41Å; F333-K337 PolarHBondContact O-N 3.39Å
334N80.1Confident74.6Confident90 Ų90107.7 Ų107.748%0.48152%0.524SS..Hα-helixtrans-67.7-38.4178.2-79.2-38.6000112.1A330 T331 V332 N338A330-N334 WeakPolarHBondContact O-CB 3.49Å; A330-N334 PolarHBondContact O-N 2.94Å; A330-N334 PolarHBondContact O-ND2 2.86Å; A330-N334 VanDerWaalsContact O-ND2 3.1Å; T331-N334 PolarHBondContact O-N 2.75Å; V332-N334 PolarHBondContact O-N 3.09Å; N334-N338 WeakPolarHBondContact O-CB 3.44Å; N334-N338 PolarHBondContact O-N 2.99Å; N334-N338 PolarHBondContact O-ND2 3.38Å
335T80.7Confident73.2Confident74 Ų74103.7 Ų103.745%0.45451%0.51SS..Hα-helixtrans-67.5-43.9175.155.90000111.6T331 V332 K337 N338 M339T331-T335 WeakPolarHBondContact O-CG2 3.43Å; T331-T335 PolarHBondContact O-N 3.41Å; T331-T335 PolarHBondContact O-OG1 2.64Å; V332-T335 WeakPolarHBondContact CA-OG1 3.42Å; V332-T335 PolarHBondContact O-N 2.98Å; V332-T335 PolarHBondContact O-OG1 3.43Å; T335-K337 PolarHBondContact O-N 2.78Å; T335-N338 PolarHBondContact O-N 3.25Å; T335-M339 WeakPolarHBondContact O-CG 3.31Å; T335-M339 PolarHBondContact O-N 3.31Å
336L76.9Confident71.8Confident85 Ų85103.6 Ų103.645%0.44552%0.515SS..Hα-helixtrans-60.7-44.3175.1-166.776000111.5V332 F333 N338 M339 C340V332-L336 VanDerWaalsContact O-CB 3.32Å; V332-L336 WeakPolarHBondContact O-CB 3.44Å; V332-L336 PolarHBondContact O-N 3.12Å; F333-L336 PolarHBondContact O-N 2.93Å; L336-N338 VanDerWaalsContact C-N 3.32Å; L336-N338 PolarHBondContact O-N 3.08Å; L336-M339 WeakPolarHBondContact O-CB 3.39Å; L336-M339 PolarHBondContact O-N 3.22Å; L336-C340 PolarHBondContact O-N 3.48Å; L336-C340 PolarHBondContact O-SG 3.29Å; L336-C340 VanDerWaalsContact O-SG 3.4Å
337K77.2Confident70.3Confident110 Ų110101.5 Ų101.548%0.47852%0.52SS..Hα-helixtrans-61.9-39.2176.1-174.7175.5-176.4175.20112.1F333 T335 C340 R341F333-K337 WeakPolarHBondContact O-CB 3.41Å; F333-K337 PolarHBondContact O-N 3.39Å; T335-K337 PolarHBondContact O-N 2.78Å; K337-C340 PolarHBondContact O-N 3.05Å; K337-R341 WeakPolarHBondContact O-CB 3.32Å; K337-R341 WeakPolarHBondContact O-CG 3.33Å; K337-R341 PolarHBondContact O-N 2.97Å
338N76.8Confident68.7Low101 Ų10199.9 Ų99.954%0.5452%0.516SS..Hα-helixtrans-68.3-36.4175.5-75.1-18.4000112N334 T335 L336 R341 S342N334-N338 WeakPolarHBondContact O-CB 3.44Å; N334-N338 PolarHBondContact O-N 2.99Å; N334-N338 PolarHBondContact O-ND2 3.38Å; T335-N338 PolarHBondContact O-N 3.25Å; L336-N338 VanDerWaalsContact C-N 3.32Å; L336-N338 PolarHBondContact O-N 3.08Å; N338-R341 PolarHBondContact O-N 3.19Å; N338-S342 PolarHBondContact O-N 3.03Å; N338-S342 VanDerWaalsContact O-N 3.11Å
339M69.4Low67.1Low119 Ų119100.4 Ų100.459%0.58652%0.522SS*.Hα-helixtrans-66.4-44.2173.2-73.6-1775900112.3T335 L336 R341 S342T335-M339 WeakPolarHBondContact O-CG 3.31Å; T335-M339 PolarHBondContact O-N 3.31Å; L336-M339 WeakPolarHBondContact O-CB 3.39Å; L336-M339 PolarHBondContact O-N 3.22Å; M339-R341 VanDerWaalsContact C-N 3.3Å; M339-R341 PolarHBondContact O-N 2.99Å; M339-S342 WeakPolarHBondContact O-CB 3.47Å; M339-S342 PolarHBondContact O-N 2.95Å; M339-S342 VanDerWaalsContact O-N 3.15Å
340C64Low65.3Low99 Ų99108.4 Ų108.467%0.66955%0.553SS**Hα-helixtrans-65.7-30.4176.7-690000113.1L336 K337L336-C340 PolarHBondContact O-N 3.48Å; L336-C340 PolarHBondContact O-SG 3.29Å; L336-C340 VanDerWaalsContact O-SG 3.4Å; K337-C340 PolarHBondContact O-N 3.05Å
341R64.9Low63.6Low178 Ų178112.7 Ų112.767%0.67258%0.576SS**Hα-helixtrans-75.9-23.5173.4-77.7178.3170.3-179.6-5.8113.3K337 N338 M339 R343K337-R341 WeakPolarHBondContact O-CB 3.32Å; K337-R341 WeakPolarHBondContact O-CG 3.33Å; K337-R341 PolarHBondContact O-N 2.97Å; N338-R341 PolarHBondContact O-N 3.19Å; M339-R341 VanDerWaalsContact C-N 3.3Å; M339-R341 PolarHBondContact O-N 2.99Å; R341-R343 PolarHBondContact O-N 3.41Å
342S58.5Low61.5Low60 Ų60121.8 Ų121.842%0.4260%0.602SS.*SBendtrans-74.7110.6177.2-152.40000109N338 M339 R344 V345N338-S342 PolarHBondContact O-N 3.03Å; N338-S342 VanDerWaalsContact O-N 3.11Å; M339-S342 WeakPolarHBondContact O-CB 3.47Å; M339-S342 PolarHBondContact O-N 2.95Å; M339-S342 VanDerWaalsContact O-N 3.15Å; S342-R344 PolarHBondContact O-N 2.97Å; S342-V345 PolarHBondContact O-N 3.34Å
343R53.4Low60.4Low221 Ų221123.3 Ų123.383%0.83460%0.604SS**THydrogen-bonded Turntrans-52.2-3-177.7-72.6-180179177.6-0.6116R341 V345 T346R341-R343 PolarHBondContact O-N 3.41Å; R343-V345 VanDerWaalsContact C-N 3.34Å; R343-V345 PolarHBondContact O-N 3.45Å; R343-T346 WeakPolarHBondContact CA-OG1 3.36Å; R343-T346 PolarHBondContact O-OG1 3.49Å
344R52.4Low59.4Low208 Ų208127.4 Ų127.479%0.78563%0.625SS**Hα-helixtrans-68.3-26.2178.4-69.4-174.9172.7176.7-1.5113.5S342S342-R344 PolarHBondContact O-N 2.97Å
345V53Low58.2Low68 Ų68129.4 Ų129.441%0.41263%0.633SS.*Hα-helixtrans-86.2-33.5179.5-174.90000112.3S342 R343 A347 L348 L349S342-V345 PolarHBondContact O-N 3.34Å; R343-V345 VanDerWaalsContact C-N 3.34Å; R343-V345 PolarHBondContact O-N 3.45Å; V345-A347 PolarHBondContact O-N 2.97Å; V345-L348 PolarHBondContact O-N 3.37Å; V345-L348 VanDerWaalsContact O-N 3.11Å; V345-L349 HydrophobicContact CG1-CD1 4.22Å; V345-L349 PolarHBondContact O-N 2.77Å; V345-L349 VanDerWaalsContact O-N 3.16Å
346T48.8Very low56.9Low94 Ų94132.7 Ų132.758%0.57764%0.644SS**Hα-helixtrans-63.6-22.3173.329.40000114R343R343-T346 WeakPolarHBondContact CA-OG1 3.36Å; R343-T346 PolarHBondContact O-OG1 3.49Å
347A49Very low55.7Low61 Ų61135.7 Ų135.750%0.50466%0.656SS.*Hα-helixtrans-79.4-28.8174.200000112.7V345V345-A347 PolarHBondContact O-N 2.97Å
348L48.9Very low54.2Low132 Ų132137.4 Ų137.469%0.69167%0.668SS**Hα-helixtrans-82.7-29.7179.2-70.3170.9000112.6V345 K350V345-L348 PolarHBondContact O-N 3.37Å; V345-L348 VanDerWaalsContact O-N 3.11Å; L348-K350 VanDerWaalsContact C-N 3.29Å; L348-K350 PolarHBondContact O-N 2.8Å
349L48.6Very low52.6Low133 Ų133140 Ų14070%0.69668%0.677SS**THydrogen-bonded Turntrans-78.6-6.3174.3-90.7157.6000114.4V345V345-L349 HydrophobicContact CG1-CD1 4.22Å; V345-L349 PolarHBondContact O-N 2.77Å; V345-L349 VanDerWaalsContact O-N 3.16Å
350K42.9Very low51.3Low188 Ų188141.6 Ų141.682%0.81768%0.684SS**THydrogen-bonded Turntrans-93.9-2.5175.1-101.3-173.6177.2-175.30113.8L348L348-K350 VanDerWaalsContact C-N 3.29Å; L348-K350 PolarHBondContact O-N 2.8Å
351V44.6Very low50.3Low120 Ų120145.2 Ų145.273%0.72769%0.686SS**  trans-103.93.2-178.8-178.30000111.4
352Y38.1Very low48.9Very low279 Ų279142.2 Ų142.2100%1.09469%0.687SS**  trans-116.70167.7-96.9-84.6000110.8

Retrieved 352 of 352 residues in 217.6 ms (Link to these results)