A0A096MS37_PAPAN Loading...

Popeye domain cAMP effector 2

AlphaFold DB , UniProt , Accession A0A096MS37, Species PAPAN (Papio anubis, Olive baboon), Gene POPDC2, Length 364 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
1M34.1Very low49Very low240 Ų240119.8 Ų119.8100%1.18269%0.688SS**  0123.80-74.7163.572.500108.1
2S36.9Very low49.2Very low95 Ų95121.7 Ų121.766%0.66469%0.692SS**  trans56.290.9162.11640000116.1
3A48.1Very low49.3Very low100 Ų100124.3 Ų124.383%0.82670%0.702SS**  4662.452.800000113.2
4N48.2Very low49.1Very low145 Ų145126.8 Ų126.878%0.77571%0.705SS**  trans-148.241.7169.3-105.1-9.3000111.5S6N4-S6 PolarHBondContact O-N 3.26Å; N4-S6 VanDerWaalsContact O-N 3.14Å
5S52.2Low49.3Very low104 Ų104123.3 Ų123.373%0.72770%0.699SS**SBendtrans-68.4108.3158.253.90000106.9R7S5-R7 PolarHBondContact O-N 2.82Å
6S52.6Low49.7Very low73 Ų73122.1 Ų122.151%0.5170%0.701SS.*  trans-41123.1-168.553.10000114.3N4 A8 G9 Q10N4-S6 PolarHBondContact O-N 3.26Å; N4-S6 VanDerWaalsContact O-N 3.14Å; S6-A8 PolarHBondContact O-N 3.2Å; S6-G9 PolarHBondContact O-N 3.34Å; S6-G9 PolarHBondContact OG-N 3.35Å; S6-Q10 PolarHBondContact O-N 3.37Å
7R53.3Low50.5Low217 Ų217119.8 Ų119.882%0.81970%0.699SS**Hα-helixtrans-49.8-26.3163.7-84.3178.8162.1173.1-5.6112.4S5 L11S5-R7 PolarHBondContact O-N 2.82Å; R7-L11 WeakPolarHBondContact O-CB 3.49Å; R7-L11 WeakPolarHBondContact O-CG 3.16Å; R7-L11 PolarHBondContact O-N 3.32Å
8A54.9Low51.1Low61 Ų61120.3 Ų120.350%0.50471%0.709SS.*Hα-helixtrans-67.7-36.8173.200000113.6S6 L11 L12S6-A8 PolarHBondContact O-N 3.2Å; A8-L11 PolarHBondContact O-N 2.99Å; A8-L12 PolarHBondContact O-N 3.32Å
9G52.9Low51.9Low28 Ų28122.9 Ų122.929%0.28972%0.718SS.*Hα-helixtrans-70.4-34.817500000112.6S6 L13S6-G9 PolarHBondContact O-N 3.34Å; S6-G9 PolarHBondContact OG-N 3.35Å; G9-L13 WeakPolarHBondContact O-CD1 3.5Å; G9-L13 PolarHBondContact O-N 2.96Å; G9-L13 VanDerWaalsContact O-N 3.16Å
10Q54Low52.5Low125 Ų125121.5 Ų121.558%0.58472%0.715SS**Hα-helixtrans-73-35.4173-81.9175.5-3400112.8S6 Q14S6-Q10 PolarHBondContact O-N 3.37Å; Q10-Q14 VanDerWaalsContact O-CB 3.28Å; Q10-Q14 WeakPolarHBondContact O-CB 3.47Å; Q10-Q14 PolarHBondContact O-N 3.25Å
11L52Low53.3Low130 Ų130127 Ų12768%0.68172%0.724SS**Hα-helixtrans-69.1-34.3174.8-87.5159.1000113.1R7 A8 Q14R7-L11 WeakPolarHBondContact O-CB 3.49Å; R7-L11 WeakPolarHBondContact O-CG 3.16Å; R7-L11 PolarHBondContact O-N 3.32Å; A8-L11 PolarHBondContact O-N 2.99Å; L11-Q14 PolarHBondContact O-N 3.25Å
12L51.5Low54.8Low142 Ų142121.7 Ų121.774%0.74369%0.694SS**Hα-helixtrans-74.1-35.5174.7-78.9170000113A8 Q14 A15A8-L12 PolarHBondContact O-N 3.32Å; L12-Q14 PolarHBondContact O-N 3.19Å; L12-A15 WeakPolarHBondContact O-CB 3.48Å; L12-A15 PolarHBondContact O-N 3.39Å
13L50.1Low55.9Low156 Ų156125.8 Ų125.882%0.81770%0.702SS**Hα-helixtrans-71.3-19.5171.7-103.187.3000113.2G9 A15G9-L13 WeakPolarHBondContact O-CD1 3.5Å; G9-L13 PolarHBondContact O-N 2.96Å; G9-L13 VanDerWaalsContact O-N 3.16Å; L13-A15 PolarHBondContact O-N 2.81Å
14Q47.3Very low56.9Low159 Ų159127 Ų12774%0.74370%0.695SS**THydrogen-bonded Turntrans-90.723.3174.6-155.7151.6-38.400112Q10 L11 L12 S16Q10-Q14 VanDerWaalsContact O-CB 3.28Å; Q10-Q14 WeakPolarHBondContact O-CB 3.47Å; Q10-Q14 PolarHBondContact O-N 3.25Å; L11-Q14 PolarHBondContact O-N 3.25Å; L12-Q14 PolarHBondContact O-N 3.19Å; Q14-S16 PolarHBondContact O-N 3.34Å
15A51.7Low58Low75 Ų75126.1 Ų126.162%0.6269%0.694SS**SBendtrans-67.179.715200000107.9L12 L13 A17L12-A15 WeakPolarHBondContact O-CB 3.48Å; L12-A15 PolarHBondContact O-N 3.39Å; L13-A15 PolarHBondContact O-N 2.81Å; A15-A17 PolarHBondContact O-N 3.2Å
16S55Low59.3Low104 Ų104123.6 Ų123.673%0.72767%0.671SS**  trans18.289.4165.855.40000115.4Q14 C18Q14-S16 PolarHBondContact O-N 3.34Å; S16-C18 PolarHBondContact O-N 2.97Å
17A63.3Low60.7Low82 Ų82121.7 Ų121.768%0.67866%0.664SS**  trans-53.8133.8160.500000108.6A15 I19A15-A17 PolarHBondContact O-N 3.2Å; A17-I19 WeakPolarHBondContact O-CG1 3.48Å; A17-I19 PolarHBondContact O-N 3.06Å
18C61.9Low62.4Low130 Ų130115.5 Ų115.588%0.87866%0.658SS**  trans-59.8102.4175.5-94.30000109.5S16 S20S16-C18 PolarHBondContact O-N 2.97Å; C18-S20 VanDerWaalsContact C-N 3.3Å
19I65.6Low63.9Low170 Ų170115.5 Ų115.587%0.87265%0.652SS**  trans-77.7-21.5-174.4-42.2-178.9000110.8A17A17-I19 WeakPolarHBondContact O-CG1 3.48Å; A17-I19 PolarHBondContact O-N 3.06Å
20S64.3Low65.7Low93 Ų93118 Ų11865%0.6565%0.654SS**SBendtrans-153.1146.1174-173.30000110.5C18 K22C18-S20 VanDerWaalsContact C-N 3.3Å; S20-K22 PolarHBondContact O-N 2.92Å
21W68.6Low67.5Low239 Ų239116.4 Ų116.491%0.90565%0.646SS**  trans-64133.5164.2-67.495000108.7Q23W21-Q23 PolarHBondContact O-N 3.47Å
22K66.8Low69.5Low127 Ų127114.6 Ų114.655%0.55264%0.636SS**  trans-68.5123.7172.9-169.2179.8171.4-159.30107.6S20 E26S20-K22 PolarHBondContact O-N 2.92Å; K22-E26 IonicContact NZ-OE1 3.28Å; K22-E26 PolarHBondContact NZ-OE1 3.23Å; K22-E26 IonicContact NZ-OE2 3.36Å
23Q59.3Low71.4Confident182 Ų182107.9 Ų107.985%0.8560%0.601SS**  trans-89.2-11.9-169.1-145.8150.9-16.200112.9W21W21-Q23 PolarHBondContact O-N 3.47Å
24D68.9Low73.5Confident124 Ų124103.5 Ų103.566%0.66358%0.579SS**SBendtrans-82.7132.4177.3-60.4-39.9000111
25V71.1Confident75.8Confident127 Ų12799.3 Ų99.377%0.7757%0.566SS**PPolyproline II helixtrans-65.8134.5172-170.80000108.4
26E80Confident77.9Confident51 Ų5197.2 Ų97.224%0.23854%0.544CS..PPolyproline II helixtrans-62.3147.9179.4-69.2-60.6157.800111.8K22 Y30 H31 W67K22-E26 IonicContact NZ-OE1 3.28Å; K22-E26 PolarHBondContact NZ-OE1 3.23Å; K22-E26 IonicContact NZ-OE2 3.36Å; E26-Y30 HydrophobicContact CB-CD1 3.54Å; E26-Y30 HydrophobicContact CB-CE1 4.18Å; E26-Y30 HydrophobicContact CB-CG 3.79Å; E26-Y30 HydrophobicContact CG-CD1 4.19Å; E26-Y30 HydrophobicContact CG-CE1 4.41Å; E26-Y30 HydrophobicContact CG-CG 4.39Å; E26-H31 PolarHBondContact O-CD2 3.08Å; E26-H31 PolarHBondContact O-NE2 3.23Å; E26-W67 HydrophobicContact CG-CZ2 4.35Å; E26-W67 VanDerWaalsContact OE2-CZ2 3.24Å; E26-W67 WeakPolarHBondContact OE2-CZ2 3.19Å; E26-W67 PolarHBondContact OE2-NE1 3.47Å
27G82.9Confident79.8Confident34 Ų3493.3 Ų93.335%0.35152%0.515SS..PPolyproline II helixtrans-63.7162.2-172.600000113.8V29 Y30 H31G27-V29 PolarHBondContact O-N 2.9Å; G27-Y30 VanDerWaalsContact O-CB 3.31Å; G27-Y30 WeakPolarHBondContact O-CB 3.41Å; G27-Y30 PolarHBondContact O-N 2.86Å; G27-H31 PolarHBondContact O-N 3.39Å
28A87.6Confident81.3Confident86 Ų8694.8 Ų94.871%0.71151%0.511SS*.Hα-helixtrans-53.5-33.1-17900000114Y30 H31 L32A28-Y30 VanDerWaalsContact C-N 3.3Å; A28-Y30 PolarHBondContact O-N 3.17Å; A28-H31 PolarHBondContact O-N 3.25Å; A28-L32 WeakPolarHBondContact O-CB 3.45Å; A28-L32 PolarHBondContact O-N 3.48Å
29V88.1Confident82.9Confident62 Ų6291.9 Ų91.938%0.37649%0.486SS..Hα-helixtrans-63.5-35.8177.9-175.30000111.8G27 A33 C63 L66 W67G27-V29 PolarHBondContact O-N 2.9Å; V29-A33 WeakPolarHBondContact O-CB 3.32Å; V29-A33 PolarHBondContact O-N 3.11Å; V29-C63 HydrophobicContact CG1-CB 4.32Å; V29-C63 WeakPolarHBondContact CG1-O 3.45Å; V29-L66 HydrophobicContact CG1-CB 4.38Å; V29-W67 HydrophobicContact CB-CB 4.34Å; V29-W67 HydrophobicContact CG1-CB 4.01Å
30Y89.1Confident84.2Confident81 Ų8183.8 Ų83.832%0.31845%0.445SS..Hα-helixtrans-65.9-47176176.1-99000111.2E26 G27 A28 L32 A33 N34 W67E26-Y30 HydrophobicContact CB-CD1 3.54Å; E26-Y30 HydrophobicContact CB-CE1 4.18Å; E26-Y30 HydrophobicContact CB-CG 3.79Å; E26-Y30 HydrophobicContact CG-CD1 4.19Å; E26-Y30 HydrophobicContact CG-CE1 4.41Å; E26-Y30 HydrophobicContact CG-CG 4.39Å; G27-Y30 VanDerWaalsContact O-CB 3.31Å; G27-Y30 WeakPolarHBondContact O-CB 3.41Å; G27-Y30 PolarHBondContact O-N 2.86Å; A28-Y30 VanDerWaalsContact C-N 3.3Å; A28-Y30 PolarHBondContact O-N 3.17Å; Y30-L32 PolarHBondContact O-N 2.77Å; Y30-A33 WeakPolarHBondContact O-CB 3.49Å; Y30-A33 PolarHBondContact O-N 3.25Å; Y30-N34 VanDerWaalsContact CE1-ND2 3.28Å; Y30-N34 WeakPolarHBondContact CE1-ND2 3.46Å; Y30-N34 VanDerWaalsContact CZ-ND2 3.28Å; Y30-N34 PolarHBondContact O-N 2.98Å; Y30-N34 VanDerWaalsContact O-N 3.08Å; Y30-N34 PolarHBondContact O-ND2 2.75Å; Y30-W67 AromaticContact CD2-CD2 3.87Å; Y30-W67 HydrophobicContact CD2-CD2 3.87Å; Y30-W67 AromaticContact CD2-CE2 3.78Å; Y30-W67 HydrophobicContact CD2-CE3 4.07Å; Y30-W67 HydrophobicContact CD2-CG 4.46Å; Y30-W67 HydrophobicContact CD2-CH2 4.11Å; Y30-W67 AromaticContact CD2-CZ2 3.92Å; Y30-W67 HydrophobicContact CD2-CZ2 3.92Å; Y30-W67 HydrophobicContact CD2-CZ3 4.16Å; Y30-W67 HydrophobicContact CE2-CH2 4.24Å; Y30-W67 HydrophobicContact CE2-CZ2 4.38Å; Y30-W67 HydrophobicContact CE2-CZ3 4.39Å
31H92.4Very high85.6Confident91 Ų9185.4 Ų85.442%0.42144%0.441SS..Hα-helixtrans-64.6-41.1177.7-69.3-62.6000111.9E26 G27 A28 A33 N34 C35E26-H31 PolarHBondContact O-CD2 3.08Å; E26-H31 PolarHBondContact O-NE2 3.23Å; G27-H31 PolarHBondContact O-N 3.39Å; A28-H31 PolarHBondContact O-N 3.25Å; H31-A33 PolarHBondContact O-N 3.33Å; H31-N34 PolarHBondContact O-N 3.01Å; H31-C35 PolarHBondContact O-N 2.97Å; H31-C35 PolarHBondContact O-SG 2.8Å
32L93.1Very high86.7Confident92 Ų9280.5 Ų80.548%0.48243%0.429SS..Hα-helixtrans-60-45174.3-179.762.1000111.7A28 Y30 N34 C35 L36A28-L32 WeakPolarHBondContact O-CB 3.45Å; A28-L32 PolarHBondContact O-N 3.48Å; Y30-L32 PolarHBondContact O-N 2.77Å; L32-N34 VanDerWaalsContact C-N 3.35Å; L32-N34 PolarHBondContact O-N 3.5Å; L32-C35 PolarHBondContact O-N 3.41Å; L32-L36 HydrophobicContact CD1-CD1 4.32Å; L32-L36 HydrophobicContact CD1-CG 4.29Å; L32-L36 HydrophobicContact CG-CD1 4.12Å; L32-L36 WeakPolarHBondContact O-CG 3.45Å; L32-L36 PolarHBondContact O-N 2.93Å
33A93.4Very high87.8Confident0 Ų075.6 Ų75.60%042%0.415CS..Hα-helixtrans-57.2-48.6177.100000111.3V29 Y30 H31 C35 L36 L37 C63V29-A33 WeakPolarHBondContact O-CB 3.32Å; V29-A33 PolarHBondContact O-N 3.11Å; Y30-A33 WeakPolarHBondContact O-CB 3.49Å; Y30-A33 PolarHBondContact O-N 3.25Å; H31-A33 PolarHBondContact O-N 3.33Å; A33-C35 PolarHBondContact O-N 2.87Å; A33-L36 PolarHBondContact O-N 2.92Å; A33-L37 VanDerWaalsContact O-CG 3.28Å; A33-L37 WeakPolarHBondContact O-CG 3.34Å; A33-L37 PolarHBondContact O-N 3.39Å; A33-C63 HydrophobicContact CB-CB 3.56Å
34N93.1Very high89Confident65 Ų6569.7 Ų69.735%0.34840%0.403SS..Hα-helixtrans-64.3-38.4178.7-73.2-69.4000112.8Y30 H31 L32 L37 L38Y30-N34 VanDerWaalsContact CE1-ND2 3.28Å; Y30-N34 WeakPolarHBondContact CE1-ND2 3.46Å; Y30-N34 VanDerWaalsContact CZ-ND2 3.28Å; Y30-N34 PolarHBondContact O-N 2.98Å; Y30-N34 VanDerWaalsContact O-N 3.08Å; Y30-N34 PolarHBondContact O-ND2 2.75Å; H31-N34 PolarHBondContact O-N 3.01Å; L32-N34 VanDerWaalsContact C-N 3.35Å; L32-N34 PolarHBondContact O-N 3.5Å; N34-L37 PolarHBondContact O-N 2.64Å; N34-L38 WeakPolarHBondContact O-CB 3.43Å; N34-L38 PolarHBondContact O-N 2.94Å
35C95.6Very high89.7Confident71 Ų7169.8 Ų69.848%0.4841%0.413SS..Hα-helixtrans-62.3-44.4173.6-71.20000111.7H31 L32 A33 L38 L39H31-C35 PolarHBondContact O-N 2.97Å; H31-C35 PolarHBondContact O-SG 2.8Å; L32-C35 PolarHBondContact O-N 3.41Å; A33-C35 PolarHBondContact O-N 2.87Å; C35-L38 PolarHBondContact O-N 3.43Å; C35-L39 WeakPolarHBondContact O-CB 3.37Å; C35-L39 VanDerWaalsContact O-CG 3.29Å; C35-L39 WeakPolarHBondContact O-CG 2.87Å; C35-L39 PolarHBondContact O-N 2.8Å
36L95.1Very high90.5Very high30 Ų3066 Ų6616%0.15740%0.4CS..Hα-helixtrans-65.5-39.9177.5-70172.4000112L32 A33 L39 G40 F56 A59L32-L36 HydrophobicContact CD1-CD1 4.32Å; L32-L36 HydrophobicContact CD1-CG 4.29Å; L32-L36 HydrophobicContact CG-CD1 4.12Å; L32-L36 WeakPolarHBondContact O-CG 3.45Å; L32-L36 PolarHBondContact O-N 2.93Å; A33-L36 PolarHBondContact O-N 2.92Å; L36-L39 PolarHBondContact O-N 3.27Å; L36-G40 PolarHBondContact O-N 3.23Å; L36-F56 HydrophobicContact CD2-CD1 3.78Å; L36-F56 HydrophobicContact CD2-CE1 3.96Å; L36-A59 HydrophobicContact CD1-CB 4.19Å
37L94.8Very high90.8Very high23 Ų2367.1 Ų67.112%0.1241%0.41CS..Hα-helixtrans-62.8-47.1174.6-69.5174.7000111.1A33 N34 L39 G40 F41 L57 Y61A33-L37 VanDerWaalsContact O-CG 3.28Å; A33-L37 WeakPolarHBondContact O-CG 3.34Å; A33-L37 PolarHBondContact O-N 3.39Å; N34-L37 PolarHBondContact O-N 2.64Å; L37-L39 VanDerWaalsContact C-N 3.34Å; L37-L39 PolarHBondContact O-N 2.93Å; L37-G40 PolarHBondContact O-N 3.43Å; L37-G40 VanDerWaalsContact O-N 3.15Å; L37-F41 WeakPolarHBondContact O-CD2 3.39Å; L37-F41 PolarHBondContact O-N 2.9Å; L37-L57 HydrophobicContact CD2-CD2 3.61Å; L37-Y61 HydrophobicContact CD1-CE1 4.44Å; L37-Y61 HydrophobicContact CD2-CD1 3.94Å; L37-Y61 HydrophobicContact CD2-CD2 4.36Å; L37-Y61 HydrophobicContact CD2-CE1 3.71Å; L37-Y61 HydrophobicContact CD2-CE2 4.15Å; L37-Y61 HydrophobicContact CD2-CG 4.24Å
38L95.8Very high91Very high112 Ų11274.4 Ų74.459%0.58643%0.428SS*.Hα-helixtrans-57.8-48.1175.8-179.766.8000111N34 C35 G40 F41 M42N34-L38 WeakPolarHBondContact O-CB 3.43Å; N34-L38 PolarHBondContact O-N 2.94Å; C35-L38 PolarHBondContact O-N 3.43Å; L38-G40 VanDerWaalsContact C-N 3.29Å; L38-G40 PolarHBondContact O-N 3.4Å; L38-F41 PolarHBondContact O-N 2.96Å; L38-M42 HydrophobicContact CG-SD 4.49Å; L38-M42 WeakPolarHBondContact O-CG 3.45Å; L38-M42 PolarHBondContact O-N 3.33Å
39L94.8Very high91.2Very high69 Ų6970.8 Ų70.836%0.36140%0.4SS..Hα-helixtrans-59-41176.4-75.8170.7000111.5C35 L36 L37 M42 Y52 F56C35-L39 WeakPolarHBondContact O-CB 3.37Å; C35-L39 VanDerWaalsContact O-CG 3.29Å; C35-L39 WeakPolarHBondContact O-CG 2.87Å; C35-L39 PolarHBondContact O-N 2.8Å; L36-L39 PolarHBondContact O-N 3.27Å; L37-L39 VanDerWaalsContact C-N 3.34Å; L37-L39 PolarHBondContact O-N 2.93Å; L39-M42 WeakPolarHBondContact O-CB 3.03Å; L39-M42 PolarHBondContact O-N 3.5Å; L39-M42 VanDerWaalsContact O-N 3.16Å; L39-Y52 WeakPolarHBondContact O-CE1 3.34Å; L39-Y52 PolarHBondContact O-OH 3.4Å; L39-F56 HydrophobicContact CB-CD1 3.97Å; L39-F56 HydrophobicContact CB-CE1 4.28Å; L39-F56 HydrophobicContact CB-CG 4.41Å; L39-F56 HydrophobicContact CD1-CD1 4.43Å; L39-F56 HydrophobicContact CD1-CE1 4.09Å
40G93.9Very high91.4Very high0 Ų070.3 Ų70.30%040%0.398CS..Hα-helixtrans-59-47175.900000112.5L36 L37 L38 M42 G43 F53 F56L36-G40 PolarHBondContact O-N 3.23Å; L37-G40 PolarHBondContact O-N 3.43Å; L37-G40 VanDerWaalsContact O-N 3.15Å; L38-G40 VanDerWaalsContact C-N 3.29Å; L38-G40 PolarHBondContact O-N 3.4Å; G40-M42 PolarHBondContact O-N 3.35Å; G40-G43 PolarHBondContact O-N 3.22Å; G40-F53 VanDerWaalsContact O-CD2 3.24Å; G40-F53 WeakPolarHBondContact O-CD2 2.89Å; G40-F56 VanDerWaalsContact CA-CB 3.48Å
41F92.4Very high91.6Very high128 Ų12868.5 Ų68.556%0.56139%0.392SS*.Hα-helixtrans-67.3-16.1177.5-69.8-64000114.2L37 L38 G43 F53 L57L37-F41 WeakPolarHBondContact O-CD2 3.39Å; L37-F41 PolarHBondContact O-N 2.9Å; L38-F41 PolarHBondContact O-N 2.96Å; F41-G43 PolarHBondContact O-N 3.49Å; F41-F53 AromaticContact CD1-CE2 3.82Å; F41-F53 HydrophobicContact CD1-CE2 3.82Å; F41-F53 HydrophobicContact CE1-CE2 4.1Å; F41-F53 HydrophobicContact CE1-CZ 4.38Å; F41-L57 HydrophobicContact CD2-CD2 4.37Å; F41-L57 HydrophobicContact CE1-CD2 4.35Å; F41-L57 HydrophobicContact CE2-CD2 3.92Å; F41-L57 HydrophobicContact CZ-CD2 3.9Å
42M93.4Very high91.6Very high135 Ų13568.2 Ų68.267%0.66539%0.388SS*.THydrogen-bonded Turntrans-81.96.4172-66178.26900113.5L38 L39 G40L38-M42 HydrophobicContact CG-SD 4.49Å; L38-M42 WeakPolarHBondContact O-CG 3.45Å; L38-M42 PolarHBondContact O-N 3.33Å; L39-M42 WeakPolarHBondContact O-CB 3.03Å; L39-M42 PolarHBondContact O-N 3.5Å; L39-M42 VanDerWaalsContact O-N 3.16Å; G40-M42 PolarHBondContact O-N 3.35Å
43G89.1Confident91.7Very high25 Ų2566.9 Ų66.926%0.25838%0.378SS..  trans-58.5135.3176.500000113.2G40 F41 Y52G40-G43 PolarHBondContact O-N 3.22Å; F41-G43 PolarHBondContact O-N 3.49Å; G43-Y52 VanDerWaalsContact CA-CD1 3.47Å
44G84.1Confident91.8Very high58 Ų5868.7 Ų68.760%0.59839%0.386SS*.  trans-74.8-178.1175.800000113.6G49G44-G49 WeakPolarHBondContact O-CA 3.19Å
45S84.7Confident91.9Very high126 Ų12666.9 Ų66.988%0.88138%0.383SS*.SBendtrans-82.8154.9175.258.70000112.6
46G86.3Confident91.9Very high48 Ų4866.4 Ų66.450%0.49537%0.373SS..SBendtrans100.8176.3177.200000114.3Y48 G49 C50G46-Y48 PolarHBondContact O-N 2.95Å; G46-G49 WeakPolarHBondContact O-CA 3.36Å; G46-G49 PolarHBondContact O-N 2.83Å; G46-G49 VanDerWaalsContact O-N 3.09Å; G46-C50 PolarHBondContact O-N 2.97Å; G46-C50 PolarHBondContact O-SG 2.83Å; G46-C50 VanDerWaalsContact O-SG 3.42Å
47V86.2Confident91.9Very high73 Ų7365.3 Ų65.344%0.44237%0.367SS..Hα-helixtrans-59.5-44.3-174.5-68.20000112.6G49 C50 F51V47-G49 VanDerWaalsContact C-N 3.31Å; V47-G49 PolarHBondContact O-N 2.82Å; V47-C50 WeakPolarHBondContact O-CB 3.03Å; V47-C50 PolarHBondContact O-N 2.9Å; V47-F51 WeakPolarHBondContact O-CD2 3.25Å; V47-F51 PolarHBondContact O-N 2.81Å; V47-F51 VanDerWaalsContact O-N 3.1Å
48Y87.4Confident91.9Very high188 Ų18864.5 Ų64.574%0.73736%0.363SS*.Hα-helixtrans-65.5-34.3176.1-61.7-73.1000112.4G46 F51 Y52G46-Y48 PolarHBondContact O-N 2.95Å; Y48-F51 PolarHBondContact O-N 3.46Å; Y48-Y52 WeakPolarHBondContact O-CB 2.97Å; Y48-Y52 PolarHBondContact O-N 2.9Å
49G92.1Very high91.9Very high10 Ų1061 Ų6110%0.10335%0.351CS..Hα-helixtrans-64.9-40.2173.300000112.5G44 G46 V47 Y52 F53G44-G49 WeakPolarHBondContact O-CA 3.19Å; G46-G49 WeakPolarHBondContact O-CA 3.36Å; G46-G49 PolarHBondContact O-N 2.83Å; G46-G49 VanDerWaalsContact O-N 3.09Å; V47-G49 VanDerWaalsContact C-N 3.31Å; V47-G49 PolarHBondContact O-N 2.82Å; G49-Y52 PolarHBondContact O-N 2.99Å; G49-F53 WeakPolarHBondContact O-CB 3.34Å; G49-F53 PolarHBondContact O-N 2.99Å
50C91.6Very high91.9Very high51 Ų5157.7 Ų57.735%0.34533%0.333SS..Hα-helixtrans-64.8-42.4174.5-65.20000112.4G46 V47 Y52 F53 F54 L95G46-C50 PolarHBondContact O-N 2.97Å; G46-C50 PolarHBondContact O-SG 2.83Å; G46-C50 VanDerWaalsContact O-SG 3.42Å; V47-C50 WeakPolarHBondContact O-CB 3.03Å; V47-C50 PolarHBondContact O-N 2.9Å; C50-Y52 VanDerWaalsContact C-N 3.33Å; C50-Y52 PolarHBondContact O-N 3.43Å; C50-F53 PolarHBondContact O-N 2.69Å; C50-F54 HydrophobicContact CB-CD2 4.49Å; C50-F54 WeakPolarHBondContact O-CD2 3.46Å; C50-F54 PolarHBondContact O-N 3.36Å; C50-L95 HydrophobicContact CB-CD2 3.47Å; C50-L95 VanDerWaalsContact CB-CD2 3.47Å
51F93.4Very high92Very high44 Ų4459.5 Ų59.519%0.19334%0.34CS..Hα-helixtrans-59.3-45.3173.7-78.4-68.9000111.8V47 Y48 G55 L92 L95 V96 L99V47-F51 WeakPolarHBondContact O-CD2 3.25Å; V47-F51 PolarHBondContact O-N 2.81Å; V47-F51 VanDerWaalsContact O-N 3.1Å; Y48-F51 PolarHBondContact O-N 3.46Å; F51-G55 PolarHBondContact O-N 3.34Å; F51-L92 HydrophobicContact CD1-CD1 3.59Å; F51-L92 HydrophobicContact CE1-CD1 4.31Å; F51-L95 HydrophobicContact CB-CD2 4.49Å; F51-L95 HydrophobicContact CD1-CD2 3.82Å; F51-L95 HydrophobicContact CD1-CG 4.4Å; F51-L95 HydrophobicContact CD2-CD2 3.63Å; F51-L95 HydrophobicContact CD2-CG 4.28Å; F51-L95 HydrophobicContact CE1-CB 3.99Å; F51-L95 HydrophobicContact CE1-CD2 3.77Å; F51-L95 HydrophobicContact CE1-CG 3.83Å; F51-L95 HydrophobicContact CE2-CD2 3.61Å; F51-L95 HydrophobicContact CE2-CG 3.72Å; F51-L95 HydrophobicContact CG-CD2 3.72Å; F51-L95 HydrophobicContact CZ-CB 4.04Å; F51-L95 HydrophobicContact CZ-CD2 3.68Å; F51-L95 HydrophobicContact CZ-CG 3.48Å; F51-L95 VanDerWaalsContact CZ-CG 3.48Å; F51-V96 HydrophobicContact CD1-CG2 4.48Å; F51-V96 HydrophobicContact CE1-CB 4.37Å; F51-V96 HydrophobicContact CE1-CG2 3.54Å; F51-V96 HydrophobicContact CZ-CG2 4.27Å; F51-L99 HydrophobicContact CE2-CD2 3.91Å; F51-L99 HydrophobicContact CZ-CB 4.42Å; F51-L99 HydrophobicContact CZ-CD2 4.06Å
52Y94.2Very high92.1Very high85 Ų8557.2 Ų57.233%0.33333%0.333SS..Hα-helixtrans-60.7-50.7176.6177.8-84.3000111.1L39 G43 Y48 G49 C50 G55 F56L39-Y52 WeakPolarHBondContact O-CE1 3.34Å; L39-Y52 PolarHBondContact O-OH 3.4Å; G43-Y52 VanDerWaalsContact CA-CD1 3.47Å; Y48-Y52 WeakPolarHBondContact O-CB 2.97Å; Y48-Y52 PolarHBondContact O-N 2.9Å; G49-Y52 PolarHBondContact O-N 2.99Å; C50-Y52 VanDerWaalsContact C-N 3.33Å; C50-Y52 PolarHBondContact O-N 3.43Å; Y52-G55 PolarHBondContact O-N 3.19Å; Y52-F56 HydrophobicContact CD1-CD2 4.12Å; Y52-F56 AromaticContact CD2-CD2 3.7Å; Y52-F56 HydrophobicContact CD2-CD2 3.7Å; Y52-F56 AromaticContact CD2-CE2 3.45Å; Y52-F56 HydrophobicContact CD2-CE2 3.45Å; Y52-F56 VanDerWaalsContact CD2-CE2 3.45Å; Y52-F56 HydrophobicContact CE1-CD2 4Å; Y52-F56 HydrophobicContact CE1-CE2 4.39Å; Y52-F56 AromaticContact CE2-CD2 3.55Å; Y52-F56 HydrophobicContact CE2-CD2 3.55Å; Y52-F56 AromaticContact CE2-CE2 3.12Å; Y52-F56 HydrophobicContact CE2-CE2 3.12Å; Y52-F56 AromaticContact CE2-CZ 3.99Å; Y52-F56 HydrophobicContact CE2-CZ 3.99Å; Y52-F56 AromaticContact CG-CD2 3.97Å; Y52-F56 HydrophobicContact CG-CD2 3.97Å; Y52-F56 HydrophobicContact CG-CE2 4.2Å; Y52-F56 AromaticContact CZ-CD2 3.68Å; Y52-F56 AromaticContact CZ-CE2 3.64Å; Y52-F56 WeakPolarHBondContact O-CD2 3.45Å; Y52-F56 PolarHBondContact O-N 2.87Å
53F94.7Very high92.2Very high64 Ų6451.8 Ų51.828%0.28131%0.309SS..Hα-helixtrans-56.6-55.8179.3176.5-97.7000112.2G40 F41 G49 C50 G55 L57G40-F53 VanDerWaalsContact O-CD2 3.24Å; G40-F53 WeakPolarHBondContact O-CD2 2.89Å; F41-F53 AromaticContact CD1-CE2 3.82Å; F41-F53 HydrophobicContact CD1-CE2 3.82Å; F41-F53 HydrophobicContact CE1-CE2 4.1Å; F41-F53 HydrophobicContact CE1-CZ 4.38Å; G49-F53 WeakPolarHBondContact O-CB 3.34Å; G49-F53 PolarHBondContact O-N 2.99Å; C50-F53 PolarHBondContact O-N 2.69Å; F53-G55 PolarHBondContact O-N 3.23Å; F53-L57 HydrophobicContact CD1-CD1 3.89Å; F53-L57 HydrophobicContact CD2-CD1 4.1Å; F53-L57 HydrophobicContact CE1-CD1 3.39Å; F53-L57 HydrophobicContact CE2-CD1 3.61Å; F53-L57 HydrophobicContact CE2-CG 4.44Å; F53-L57 HydrophobicContact CG-CD1 4.23Å; F53-L57 HydrophobicContact CZ-CD1 3.24Å; F53-L57 HydrophobicContact CZ-CG 4.46Å; F53-L57 WeakPolarHBondContact O-CB 3.29Å; F53-L57 VanDerWaalsContact O-CG 3.29Å; F53-L57 WeakPolarHBondContact O-CG 3.29Å; F53-L57 PolarHBondContact O-N 2.96Å
54F94.9Very high92.3Very high37 Ų3751.5 Ų51.516%0.16230%0.302CS..Hα-helixtrans-70.4-31.9-177.9-70.1-61.5000113C50 S58 C88 Q91 L92C50-F54 HydrophobicContact CB-CD2 4.49Å; C50-F54 WeakPolarHBondContact O-CD2 3.46Å; C50-F54 PolarHBondContact O-N 3.36Å; F54-S58 WeakPolarHBondContact O-CB 3.3Å; F54-S58 PolarHBondContact O-N 3.08Å; F54-C88 HydrophobicContact CD1-CB 4.42Å; F54-Q91 HydrophobicContact CD1-CB 3.73Å; F54-Q91 HydrophobicContact CD1-CG 4.34Å; F54-Q91 HydrophobicContact CD2-CB 4.06Å; F54-Q91 HydrophobicContact CE1-CB 3.61Å; F54-Q91 HydrophobicContact CE1-CG 3.82Å; F54-Q91 HydrophobicContact CE2-CB 3.97Å; F54-Q91 HydrophobicContact CG-CB 3.96Å; F54-Q91 HydrophobicContact CZ-CB 3.75Å; F54-Q91 HydrophobicContact CZ-CG 4.01Å; F54-L92 HydrophobicContact CB-CB 4.16Å; F54-L92 HydrophobicContact CB-CD1 4.13Å
55G94.8Very high92.7Very high27 Ų2750 Ų5028%0.27828%0.281SS..Hα-helixtrans-64.4-52.3175.700000112.3F51 Y52 F53 S58 A59F51-G55 PolarHBondContact O-N 3.34Å; Y52-G55 PolarHBondContact O-N 3.19Å; F53-G55 PolarHBondContact O-N 3.23Å; G55-S58 PolarHBondContact O-N 3.04Å; G55-A59 PolarHBondContact O-N 2.98Å
56F95.8Very high93Very high62 Ų6248.1 Ų48.127%0.27226%0.261SS..Hα-helixtrans-67.9-38.6179.3-85.4-79.9000112.8L36 L39 G40 Y52 A59 G60L36-F56 HydrophobicContact CD2-CD1 3.78Å; L36-F56 HydrophobicContact CD2-CE1 3.96Å; L39-F56 HydrophobicContact CB-CD1 3.97Å; L39-F56 HydrophobicContact CB-CE1 4.28Å; L39-F56 HydrophobicContact CB-CG 4.41Å; L39-F56 HydrophobicContact CD1-CD1 4.43Å; L39-F56 HydrophobicContact CD1-CE1 4.09Å; G40-F56 VanDerWaalsContact CA-CB 3.48Å; Y52-F56 HydrophobicContact CD1-CD2 4.12Å; Y52-F56 AromaticContact CD2-CD2 3.7Å; Y52-F56 HydrophobicContact CD2-CD2 3.7Å; Y52-F56 AromaticContact CD2-CE2 3.45Å; Y52-F56 HydrophobicContact CD2-CE2 3.45Å; Y52-F56 VanDerWaalsContact CD2-CE2 3.45Å; Y52-F56 HydrophobicContact CE1-CD2 4Å; Y52-F56 HydrophobicContact CE1-CE2 4.39Å; Y52-F56 AromaticContact CE2-CD2 3.55Å; Y52-F56 HydrophobicContact CE2-CD2 3.55Å; Y52-F56 AromaticContact CE2-CE2 3.12Å; Y52-F56 HydrophobicContact CE2-CE2 3.12Å; Y52-F56 AromaticContact CE2-CZ 3.99Å; Y52-F56 HydrophobicContact CE2-CZ 3.99Å; Y52-F56 AromaticContact CG-CD2 3.97Å; Y52-F56 HydrophobicContact CG-CD2 3.97Å; Y52-F56 HydrophobicContact CG-CE2 4.2Å; Y52-F56 AromaticContact CZ-CD2 3.68Å; Y52-F56 AromaticContact CZ-CE2 3.64Å; Y52-F56 WeakPolarHBondContact O-CD2 3.45Å; Y52-F56 PolarHBondContact O-N 2.87Å; F56-A59 PolarHBondContact O-N 3.29Å; F56-G60 PolarHBondContact O-N 2.97Å
57L95.2Very high93.2Very high6 Ų647.1 Ų47.13%0.03124%0.242CC..Hα-helixtrans-64.2-43.3174-75.6-177.6000112.1L37 F41 F53 A59 G60 Y61L37-L57 HydrophobicContact CD2-CD2 3.61Å; F41-L57 HydrophobicContact CD2-CD2 4.37Å; F41-L57 HydrophobicContact CE1-CD2 4.35Å; F41-L57 HydrophobicContact CE2-CD2 3.92Å; F41-L57 HydrophobicContact CZ-CD2 3.9Å; F53-L57 HydrophobicContact CD1-CD1 3.89Å; F53-L57 HydrophobicContact CD2-CD1 4.1Å; F53-L57 HydrophobicContact CE1-CD1 3.39Å; F53-L57 HydrophobicContact CE2-CD1 3.61Å; F53-L57 HydrophobicContact CE2-CG 4.44Å; F53-L57 HydrophobicContact CG-CD1 4.23Å; F53-L57 HydrophobicContact CZ-CD1 3.24Å; F53-L57 HydrophobicContact CZ-CG 4.46Å; F53-L57 WeakPolarHBondContact O-CB 3.29Å; F53-L57 VanDerWaalsContact O-CG 3.29Å; F53-L57 WeakPolarHBondContact O-CG 3.29Å; F53-L57 PolarHBondContact O-N 2.96Å; L57-A59 PolarHBondContact O-N 3.36Å; L57-G60 PolarHBondContact O-N 2.8Å; L57-Y61 HydrophobicContact CB-CD2 4.27Å; L57-Y61 HydrophobicContact CB-CE2 3.97Å; L57-Y61 HydrophobicContact CD2-CE2 4.16Å; L57-Y61 HydrophobicContact CG-CE2 4.48Å; L57-Y61 WeakPolarHBondContact O-CD2 3.43Å; L57-Y61 PolarHBondContact O-N 3.45Å
58S95.4Very high93.3Very high6 Ų643.6 Ų43.64%0.04222%0.221CC..Hα-helixtrans-58.6-48.5175.7178.90000111.3F54 G55 G60 Y61 L62 L89F54-S58 WeakPolarHBondContact O-CB 3.3Å; F54-S58 PolarHBondContact O-N 3.08Å; G55-S58 PolarHBondContact O-N 3.04Å; S58-G60 PolarHBondContact O-N 2.76Å; S58-Y61 PolarHBondContact O-N 2.91Å; S58-L62 WeakPolarHBondContact O-CB 3.43Å; S58-L62 VanDerWaalsContact O-CG 3.26Å; S58-L62 WeakPolarHBondContact O-CG 3.48Å; S58-L62 PolarHBondContact O-N 3.32Å; S58-L89 WeakPolarHBondContact OG-CD2 3.33Å; S58-L89 VanDerWaalsContact OG-CG 3.26Å; S58-L89 WeakPolarHBondContact OG-CG 3.37Å
59A95.6Very high93.2Very high39 Ų3943.2 Ų43.232%0.32222%0.219SC..Hα-helixtrans-61.2-43.2176.500000112.4L36 G55 F56 L57 L62 C63L36-A59 HydrophobicContact CD1-CB 4.19Å; G55-A59 PolarHBondContact O-N 2.98Å; F56-A59 PolarHBondContact O-N 3.29Å; L57-A59 PolarHBondContact O-N 3.36Å; A59-L62 PolarHBondContact O-N 2.78Å; A59-C63 PolarHBondContact O-N 2.89Å; A59-C63 PolarHBondContact O-SG 3.41Å; A59-C63 VanDerWaalsContact O-SG 3.38Å
60G95.6Very high92.8Very high0 Ų049.9 Ų49.90%025%0.245CC..Hα-helixtrans-61.2-47.6177.300000112.8F56 L57 S58 L62 C63 C64F56-G60 PolarHBondContact O-N 2.97Å; L57-G60 PolarHBondContact O-N 2.8Å; S58-G60 PolarHBondContact O-N 2.76Å; G60-L62 PolarHBondContact O-N 3.43Å; G60-C63 WeakPolarHBondContact O-CB 3.49Å; G60-C63 PolarHBondContact O-N 3.01Å; G60-C64 PolarHBondContact O-N 3.31Å; G60-C64 PolarHBondContact O-SG 2.9Å
61Y95.5Very high92.2Very high38 Ų3850.7 Ų50.715%0.14925%0.251CS..Hα-helixtrans-67.8-33177.4-67.3-53.3000112.8L37 L57 S58 C63 C64 V65 L84L37-Y61 HydrophobicContact CD1-CE1 4.44Å; L37-Y61 HydrophobicContact CD2-CD1 3.94Å; L37-Y61 HydrophobicContact CD2-CD2 4.36Å; L37-Y61 HydrophobicContact CD2-CE1 3.71Å; L37-Y61 HydrophobicContact CD2-CE2 4.15Å; L37-Y61 HydrophobicContact CD2-CG 4.24Å; L57-Y61 HydrophobicContact CB-CD2 4.27Å; L57-Y61 HydrophobicContact CB-CE2 3.97Å; L57-Y61 HydrophobicContact CD2-CE2 4.16Å; L57-Y61 HydrophobicContact CG-CE2 4.48Å; L57-Y61 WeakPolarHBondContact O-CD2 3.43Å; L57-Y61 PolarHBondContact O-N 3.45Å; S58-Y61 PolarHBondContact O-N 2.91Å; Y61-C63 VanDerWaalsContact C-N 3.35Å; Y61-C64 WeakPolarHBondContact O-CB 3.43Å; Y61-C64 PolarHBondContact O-N 3.15Å; Y61-V65 WeakPolarHBondContact O-CG2 3.37Å; Y61-V65 PolarHBondContact O-N 3.49Å; Y61-L84 HydrophobicContact CD1-CB 4.03Å; Y61-L84 HydrophobicContact CD1-CD1 4.18Å; Y61-L84 HydrophobicContact CD2-CB 3.81Å; Y61-L84 HydrophobicContact CE1-CB 4.11Å; Y61-L84 HydrophobicContact CE1-CD1 3.69Å; Y61-L84 HydrophobicContact CE2-CB 3.89Å; Y61-L84 HydrophobicContact CG-CB 3.9Å
62L94.6Very high91.3Very high79 Ų7950.2 Ų50.241%0.41426%0.255SS..Hα-helixtrans-62.5-41.8170.6-73.1171.4000111.5S58 A59 G60 C64 V65 L66 A85S58-L62 WeakPolarHBondContact O-CB 3.43Å; S58-L62 VanDerWaalsContact O-CG 3.26Å; S58-L62 WeakPolarHBondContact O-CG 3.48Å; S58-L62 PolarHBondContact O-N 3.32Å; A59-L62 PolarHBondContact O-N 2.78Å; G60-L62 PolarHBondContact O-N 3.43Å; L62-C64 VanDerWaalsContact C-N 3.34Å; L62-C64 PolarHBondContact O-N 3.03Å; L62-V65 WeakPolarHBondContact O-CB 3.4Å; L62-V65 PolarHBondContact O-N 2.92Å; L62-L66 WeakPolarHBondContact O-CG 3.49Å; L62-L66 PolarHBondContact O-N 2.71Å; L62-A85 HydrophobicContact CD2-CB 4.22Å; L62-A85 HydrophobicContact CG-CB 4.3Å
63C94.1Very high90.4Very high21 Ų2151.6 Ų51.614%0.14228%0.276CS..Hα-helixtrans-63.6-37.6172.5-67.10000112.2V29 A33 A59 G60 Y61 L66 W67V29-C63 HydrophobicContact CG1-CB 4.32Å; V29-C63 WeakPolarHBondContact CG1-O 3.45Å; A33-C63 HydrophobicContact CB-CB 3.56Å; A59-C63 PolarHBondContact O-N 2.89Å; A59-C63 PolarHBondContact O-SG 3.41Å; A59-C63 VanDerWaalsContact O-SG 3.38Å; G60-C63 WeakPolarHBondContact O-CB 3.49Å; G60-C63 PolarHBondContact O-N 3.01Å; Y61-C63 VanDerWaalsContact C-N 3.35Å; C63-L66 PolarHBondContact O-N 3.05Å; C63-W67 PolarHBondContact O-N 2.92Å
64C91.6Very high89.7Confident19 Ų1949.5 Ų49.513%0.12827%0.273CS..Hα-helixtrans-62.4-41.2172.7-68.70000112.5G60 Y61 L62 W67 G68 S81G60-C64 PolarHBondContact O-N 3.31Å; G60-C64 PolarHBondContact O-SG 2.9Å; Y61-C64 WeakPolarHBondContact O-CB 3.43Å; Y61-C64 PolarHBondContact O-N 3.15Å; L62-C64 VanDerWaalsContact C-N 3.34Å; L62-C64 PolarHBondContact O-N 3.03Å; C64-W67 PolarHBondContact O-N 2.51Å; C64-G68 PolarHBondContact O-N 3.17Å; C64-S81 WeakPolarHBondContact CB-OG 3.07Å
65V93.2Very high89.1Confident26 Ų2654.4 Ų54.416%0.15830%0.3CS..Hα-helixtrans-60.5-47.4174.3168.70000110.7Y61 L62 G68 W69 V78 F82Y61-V65 WeakPolarHBondContact O-CG2 3.37Å; Y61-V65 PolarHBondContact O-N 3.49Å; L62-V65 WeakPolarHBondContact O-CB 3.4Å; L62-V65 PolarHBondContact O-N 2.92Å; V65-G68 PolarHBondContact O-N 2.73Å; V65-W69 WeakPolarHBondContact O-CB 3.19Å; V65-W69 PolarHBondContact O-N 3.41Å; V65-V78 HydrophobicContact CG1-CG1 4.33Å; V65-F82 HydrophobicContact CG2-CB 3.91Å; V65-F82 VanDerWaalsContact CG2-N 3.32Å
66L90.8Very high88.7Confident87 Ų8758 Ų5846%0.45531%0.313SS..Hα-helixtrans-62-46.6179.1-68.5171.1000111.7V29 L62 C63 W69 F70V29-L66 HydrophobicContact CG1-CB 4.38Å; L62-L66 WeakPolarHBondContact O-CG 3.49Å; L62-L66 PolarHBondContact O-N 2.71Å; C63-L66 PolarHBondContact O-N 3.05Å; L66-W69 PolarHBondContact O-N 2.9Å; L66-F70 HydrophobicContact CB-CD2 4.5Å; L66-F70 HydrophobicContact CD2-CD2 4.48Å; L66-F70 HydrophobicContact CD2-CE2 3.93Å; L66-F70 WeakPolarHBondContact O-CD2 3.44Å; L66-F70 PolarHBondContact O-N 3.39Å
67W91.4Very high88.2Confident27 Ų2758.3 Ų58.310%0.10232%0.317CS..Hα-helixtrans-63.3-42.5175.6170.879.1000112.1E26 V29 Y30 C63 C64 W69 S71 A72 I77E26-W67 HydrophobicContact CG-CZ2 4.35Å; E26-W67 VanDerWaalsContact OE2-CZ2 3.24Å; E26-W67 WeakPolarHBondContact OE2-CZ2 3.19Å; E26-W67 PolarHBondContact OE2-NE1 3.47Å; V29-W67 HydrophobicContact CB-CB 4.34Å; V29-W67 HydrophobicContact CG1-CB 4.01Å; Y30-W67 AromaticContact CD2-CD2 3.87Å; Y30-W67 HydrophobicContact CD2-CD2 3.87Å; Y30-W67 AromaticContact CD2-CE2 3.78Å; Y30-W67 HydrophobicContact CD2-CE3 4.07Å; Y30-W67 HydrophobicContact CD2-CG 4.46Å; Y30-W67 HydrophobicContact CD2-CH2 4.11Å; Y30-W67 AromaticContact CD2-CZ2 3.92Å; Y30-W67 HydrophobicContact CD2-CZ2 3.92Å; Y30-W67 HydrophobicContact CD2-CZ3 4.16Å; Y30-W67 HydrophobicContact CE2-CH2 4.24Å; Y30-W67 HydrophobicContact CE2-CZ2 4.38Å; Y30-W67 HydrophobicContact CE2-CZ3 4.39Å; C63-W67 PolarHBondContact O-N 2.92Å; C64-W67 PolarHBondContact O-N 2.51Å; W67-W69 VanDerWaalsContact C-N 3.28Å; W67-W69 PolarHBondContact O-N 2.82Å; W67-S71 WeakPolarHBondContact O-CA 3.31Å; W67-S71 WeakPolarHBondContact O-CB 3.41Å; W67-S71 PolarHBondContact O-N 2.8Å; W67-A72 HydrophobicContact CD2-CB 4.44Å; W67-A72 HydrophobicContact CE3-CB 4.31Å; W67-A72 HydrophobicContact CH2-CB 3.79Å; W67-A72 HydrophobicContact CZ2-CB 3.9Å; W67-A72 HydrophobicContact CZ3-CB 4.01Å; W67-A72 PolarHBondContact O-N 3.24Å; W67-A72 VanDerWaalsContact O-N 3.14Å; W67-I77 HydrophobicContact CE3-CG2 4.42Å; W67-I77 HydrophobicContact CH2-CD1 4.46Å; W67-I77 HydrophobicContact CZ3-CD1 4.23Å; W67-I77 HydrophobicContact CZ3-CG2 3.96Å
68G87.1Confident88Confident0 Ų059.1 Ų59.10%032%0.321CS..Iπ-helixtrans-60-38.3176.800000112.7C64 V65 C73C64-G68 PolarHBondContact O-N 3.17Å; V65-G68 PolarHBondContact O-N 2.73Å; G68-C73 PolarHBondContact O-N 2.96Å
69W85.8Confident87.9Confident179 Ų17962.8 Ų62.868%0.67834%0.34SS*.Iπ-helixtrans-75.4-46.9-179.7-170.4-94.9000113V65 L66 W67 V78V65-W69 WeakPolarHBondContact O-CB 3.19Å; V65-W69 PolarHBondContact O-N 3.41Å; L66-W69 PolarHBondContact O-N 2.9Å; W67-W69 VanDerWaalsContact C-N 3.28Å; W67-W69 PolarHBondContact O-N 2.82Å; W69-V78 HydrophobicContact CB-CG2 4.44Å; W69-V78 HydrophobicContact CE3-CG1 4.21Å
70F84Confident87.8Confident151 Ų15168 Ų6866%0.66235%0.352SS*.Iπ-helixtrans-90.3-25.9-172.7-70.5-66000114.7L66L66-F70 HydrophobicContact CB-CD2 4.5Å; L66-F70 HydrophobicContact CD2-CD2 4.48Å; L66-F70 HydrophobicContact CD2-CE2 3.93Å; L66-F70 WeakPolarHBondContact O-CD2 3.44Å; L66-F70 PolarHBondContact O-N 3.39Å
71S78.5Confident87.6Confident67 Ų6768.6 Ų68.647%0.46936%0.356SS..Iπ-helixtrans-121.9-45.1-169.9-560000113.6W67W67-S71 WeakPolarHBondContact O-CA 3.31Å; W67-S71 WeakPolarHBondContact O-CB 3.41Å; W67-S71 PolarHBondContact O-N 2.8Å
72A74.4Confident87.6Confident34 Ų3472 Ų7228%0.28137%0.372SS..Iπ-helixtrans-86.1-21.4-175.500000113.7W67 G74 I77W67-A72 HydrophobicContact CD2-CB 4.44Å; W67-A72 HydrophobicContact CE3-CB 4.31Å; W67-A72 HydrophobicContact CH2-CB 3.79Å; W67-A72 HydrophobicContact CZ2-CB 3.9Å; W67-A72 HydrophobicContact CZ3-CB 4.01Å; W67-A72 PolarHBondContact O-N 3.24Å; W67-A72 VanDerWaalsContact O-N 3.14Å; A72-G74 PolarHBondContact O-N 2.96Å; A72-I77 HydrophobicContact CB-CD1 4.47Å
73C74.5Confident87.7Confident115 Ų11572.3 Ų72.378%0.77737%0.374SS*.  trans47.532.4-173.7-72.10000113.4G68G68-C73 PolarHBondContact O-N 2.96Å
74G80.2Confident87.7Confident20 Ų2074.8 Ų74.821%0.20639%0.385CS..  trans-103.9102.5-176.800000110.9A72 D76 I77 V78A72-G74 PolarHBondContact O-N 2.96Å; G74-D76 PolarHBondContact O-N 3.02Å; G74-I77 PolarHBondContact O-N 3.3Å; G74-V78 WeakPolarHBondContact O-CG2 3.47Å; G74-V78 PolarHBondContact O-N 2.8Å; G74-V78 VanDerWaalsContact O-N 3.1Å
75L82.8Confident87.9Confident140 Ų14073.9 Ų73.973%0.73338%0.379SS*.Hα-helixtrans-58.3-38.3-178.9-174148.6000112.2V78 L79L75-V78 PolarHBondContact O-N 2.99Å; L75-L79 VanDerWaalsContact O-CB 3.24Å; L75-L79 WeakPolarHBondContact O-CB 3.31Å; L75-L79 PolarHBondContact O-N 3.32Å
76D86.3Confident88.1Confident103 Ų10375.2 Ų75.255%0.55139%0.387SS*.Hα-helixtrans-62.4-47.5178.9-171.556000111.8G74 V78 L79 W80G74-D76 PolarHBondContact O-N 3.02Å; D76-V78 VanDerWaalsContact C-N 3.34Å; D76-V78 PolarHBondContact O-N 3.28Å; D76-L79 PolarHBondContact O-N 3.21Å; D76-W80 PolarHBondContact O-N 3.01Å; D76-W80 VanDerWaalsContact OD1-CD1 3.24Å; D76-W80 PolarHBondContact OD1-NE1 3.35Å
77I86.4Confident88.4Confident68 Ų6876.5 Ų76.535%0.34939%0.389SS..Hα-helixtrans-60.8-45177.7-61.7172.9000110.8W67 A72 G74 S81W67-I77 HydrophobicContact CE3-CG2 4.42Å; W67-I77 HydrophobicContact CH2-CD1 4.46Å; W67-I77 HydrophobicContact CZ3-CD1 4.23Å; W67-I77 HydrophobicContact CZ3-CG2 3.96Å; A72-I77 HydrophobicContact CB-CD1 4.47Å; G74-I77 PolarHBondContact O-N 3.3Å; I77-S81 WeakPolarHBondContact O-CB 3.43Å; I77-S81 PolarHBondContact O-N 3.28Å; I77-S81 PolarHBondContact O-OG 3.49Å
78V90.8Very high88.5Confident22 Ų2275.5 Ų75.513%0.13339%0.386CS..Hα-helixtrans-62.3-46.3177.6171.10000110.5V65 W69 G74 L75 D76 S81 F82V65-V78 HydrophobicContact CG1-CG1 4.33Å; W69-V78 HydrophobicContact CB-CG2 4.44Å; W69-V78 HydrophobicContact CE3-CG1 4.21Å; G74-V78 WeakPolarHBondContact O-CG2 3.47Å; G74-V78 PolarHBondContact O-N 2.8Å; G74-V78 VanDerWaalsContact O-N 3.1Å; L75-V78 PolarHBondContact O-N 2.99Å; D76-V78 VanDerWaalsContact C-N 3.34Å; D76-V78 PolarHBondContact O-N 3.28Å; V78-S81 PolarHBondContact O-N 3.12Å; V78-F82 WeakPolarHBondContact O-CB 3.47Å; V78-F82 PolarHBondContact O-N 3.29Å
79L93.1Very high88.9Confident84 Ų8479.3 Ų79.344%0.4441%0.406SS..Hα-helixtrans-62.7-50.6-177.6-178.363.7000111.6L75 D76 F82 L83L75-L79 VanDerWaalsContact O-CB 3.24Å; L75-L79 WeakPolarHBondContact O-CB 3.31Å; L75-L79 PolarHBondContact O-N 3.32Å; D76-L79 PolarHBondContact O-N 3.21Å; L79-F82 PolarHBondContact O-N 2.81Å; L79-L83 HydrophobicContact CG-CD1 4.39Å; L79-L83 WeakPolarHBondContact O-CG 3.38Å; L79-L83 PolarHBondContact O-N 3.24Å
80W92.8Very high89.4Confident147 Ų14776.1 Ų76.156%0.55740%0.402SS*.Hα-helixtrans-64-43.8178.8-71.9114.7000112.2D76 F82 L83 L84D76-W80 PolarHBondContact O-N 3.01Å; D76-W80 VanDerWaalsContact OD1-CD1 3.24Å; D76-W80 PolarHBondContact OD1-NE1 3.35Å; W80-F82 VanDerWaalsContact C-N 3.31Å; W80-F82 PolarHBondContact O-N 3.44Å; W80-L83 HydrophobicContact CE3-CD1 4.37Å; W80-L83 PolarHBondContact O-N 2.79Å; W80-L84 WeakPolarHBondContact O-CG 3.01Å; W80-L84 PolarHBondContact O-N 3.1Å
81S92.6Very high89.9Confident14 Ų1472 Ų7210%0.09839%0.385CS..Hα-helixtrans-63.8-38.6178.2-56.70000111.4C64 I77 V78 L84 A85C64-S81 WeakPolarHBondContact CB-OG 3.07Å; I77-S81 WeakPolarHBondContact O-CB 3.43Å; I77-S81 PolarHBondContact O-N 3.28Å; I77-S81 PolarHBondContact O-OG 3.49Å; V78-S81 PolarHBondContact O-N 3.12Å; S81-L84 PolarHBondContact O-N 2.88Å; S81-A85 WeakPolarHBondContact O-CB 3.22Å; S81-A85 PolarHBondContact O-N 2.87Å
82F94.5Very high90.6Very high108 Ų10870.7 Ų70.747%0.47437%0.372SS..Hα-helixtrans-65.6-46.5176.6175.4-98.9000111.9V65 V78 L79 W80 L84 A85 V86V65-F82 HydrophobicContact CG2-CB 3.91Å; V65-F82 VanDerWaalsContact CG2-N 3.32Å; V78-F82 WeakPolarHBondContact O-CB 3.47Å; V78-F82 PolarHBondContact O-N 3.29Å; L79-F82 PolarHBondContact O-N 2.81Å; W80-F82 VanDerWaalsContact C-N 3.31Å; W80-F82 PolarHBondContact O-N 3.44Å; F82-L84 VanDerWaalsContact C-N 3.31Å; F82-L84 PolarHBondContact O-N 3.43Å; F82-A85 PolarHBondContact O-N 2.77Å; F82-V86 HydrophobicContact CD1-CG2 4.31Å; F82-V86 HydrophobicContact CD2-CG2 4.39Å; F82-V86 HydrophobicContact CE1-CG2 3.85Å; F82-V86 HydrophobicContact CE2-CG2 3.95Å; F82-V86 HydrophobicContact CZ-CG2 3.66Å; F82-V86 WeakPolarHBondContact O-CG2 3.22Å; F82-V86 PolarHBondContact O-N 3.06Å
83L96.3Very high91.5Very high87 Ų8771.8 Ų71.846%0.45538%0.382SS..Hα-helixtrans-59.9-42.5177.3-71.2173.7000111.8L79 W80 V86 F87L79-L83 HydrophobicContact CG-CD1 4.39Å; L79-L83 WeakPolarHBondContact O-CG 3.38Å; L79-L83 PolarHBondContact O-N 3.24Å; W80-L83 HydrophobicContact CE3-CD1 4.37Å; W80-L83 PolarHBondContact O-N 2.79Å; L83-V86 PolarHBondContact O-N 2.89Å; L83-F87 WeakPolarHBondContact O-CB 3.47Å; L83-F87 PolarHBondContact O-N 2.84Å
84L94.9Very high92.4Very high72 Ų7271.4 Ų71.438%0.37737%0.368SS..Hα-helixtrans-66.1-42176.1-69.5170.6000111.8Y61 W80 S81 F82 V86 F87 C88Y61-L84 HydrophobicContact CD1-CB 4.03Å; Y61-L84 HydrophobicContact CD1-CD1 4.18Å; Y61-L84 HydrophobicContact CD2-CB 3.81Å; Y61-L84 HydrophobicContact CE1-CB 4.11Å; Y61-L84 HydrophobicContact CE1-CD1 3.69Å; Y61-L84 HydrophobicContact CE2-CB 3.89Å; Y61-L84 HydrophobicContact CG-CB 3.9Å; W80-L84 WeakPolarHBondContact O-CG 3.01Å; W80-L84 PolarHBondContact O-N 3.1Å; S81-L84 PolarHBondContact O-N 2.88Å; F82-L84 VanDerWaalsContact C-N 3.31Å; F82-L84 PolarHBondContact O-N 3.43Å; L84-V86 PolarHBondContact O-N 3.19Å; L84-F87 PolarHBondContact O-N 2.87Å; L84-C88 PolarHBondContact O-N 3.1Å; L84-C88 PolarHBondContact O-SG 3.31Å
85A96Very high92.9Very high1 Ų172 Ų721%0.00837%0.367CS..Hα-helixtrans-59.5-46.217500000111.7L62 S81 F82 C88 L89L62-A85 HydrophobicContact CD2-CB 4.22Å; L62-A85 HydrophobicContact CG-CB 4.3Å; S81-A85 WeakPolarHBondContact O-CB 3.22Å; S81-A85 PolarHBondContact O-N 2.87Å; F82-A85 PolarHBondContact O-N 2.77Å; A85-C88 PolarHBondContact O-N 3.46Å; A85-L89 WeakPolarHBondContact O-CG 3.49Å; A85-L89 PolarHBondContact O-N 3.41Å
86V96.6Very high93.2Very high54 Ų5469 Ų6933%0.32735%0.354SS..Hα-helixtrans-62.9-44.4177.2170.60000110.9F82 L83 L84 C88 L89 L90F82-V86 HydrophobicContact CD1-CG2 4.31Å; F82-V86 HydrophobicContact CD2-CG2 4.39Å; F82-V86 HydrophobicContact CE1-CG2 3.85Å; F82-V86 HydrophobicContact CE2-CG2 3.95Å; F82-V86 HydrophobicContact CZ-CG2 3.66Å; F82-V86 WeakPolarHBondContact O-CG2 3.22Å; F82-V86 PolarHBondContact O-N 3.06Å; L83-V86 PolarHBondContact O-N 2.89Å; L84-V86 PolarHBondContact O-N 3.19Å; V86-C88 PolarHBondContact O-N 3.43Å; V86-L89 PolarHBondContact O-N 3.14Å; V86-L90 HydrophobicContact CG1-CD1 4.04Å; V86-L90 HydrophobicContact CG1-CG 4.38Å; V86-L90 WeakPolarHBondContact O-CG 3.48Å; V86-L90 PolarHBondContact O-N 2.96Å
87F96.7Very high93.3Very high113 Ų11370.8 Ų70.850%0.49635%0.354SS..Hα-helixtrans-60.1-46.2176.8-176.6-97.2000111.6L83 L84 L89 L90 Q91L83-F87 WeakPolarHBondContact O-CB 3.47Å; L83-F87 PolarHBondContact O-N 2.84Å; L84-F87 PolarHBondContact O-N 2.87Å; F87-L89 VanDerWaalsContact C-N 3.34Å; F87-L89 PolarHBondContact O-N 2.79Å; F87-L90 PolarHBondContact O-N 2.71Å; F87-Q91 HydrophobicContact CD1-CG 4.14Å; F87-Q91 HydrophobicContact CE1-CG 3.8Å; F87-Q91 HydrophobicContact CZ-CG 4.04Å; F87-Q91 VanDerWaalsContact O-CG 3.31Å; F87-Q91 WeakPolarHBondContact O-CG 3.41Å; F87-Q91 PolarHBondContact O-N 2.87Å
88C95.1Very high93.4Very high6 Ų672.3 Ų72.34%0.04136%0.355CS..Hα-helixtrans-61.3-40.7176-69.40000112.3F54 L84 A85 V86 Q91 L92F54-C88 HydrophobicContact CD1-CB 4.42Å; L84-C88 PolarHBondContact O-N 3.1Å; L84-C88 PolarHBondContact O-SG 3.31Å; A85-C88 PolarHBondContact O-N 3.46Å; V86-C88 PolarHBondContact O-N 3.43Å; C88-Q91 PolarHBondContact O-N 3.47Å; C88-L92 WeakPolarHBondContact O-CB 3.19Å; C88-L92 PolarHBondContact O-N 2.66Å
89L94.9Very high93.1Very high80 Ų8074.5 Ų74.542%0.41937%0.366SS..Hα-helixtrans-63.8-42.5175.7-74.9171.4000112.3S58 A85 V86 F87 L92 A93S58-L89 WeakPolarHBondContact OG-CD2 3.33Å; S58-L89 VanDerWaalsContact OG-CG 3.26Å; S58-L89 WeakPolarHBondContact OG-CG 3.37Å; A85-L89 WeakPolarHBondContact O-CG 3.49Å; A85-L89 PolarHBondContact O-N 3.41Å; V86-L89 PolarHBondContact O-N 3.14Å; F87-L89 VanDerWaalsContact C-N 3.34Å; F87-L89 PolarHBondContact O-N 2.79Å; L89-L92 PolarHBondContact O-N 3.2Å; L89-A93 WeakPolarHBondContact O-CB 3.34Å; L89-A93 PolarHBondContact O-N 3.5Å
90L96.1Very high92.5Very high113 Ų11377.4 Ų77.459%0.59237%0.371SS*.Hα-helixtrans-63.6-42.1176.8-72.9173000111.6V86 F87 A93 H94V86-L90 HydrophobicContact CG1-CD1 4.04Å; V86-L90 HydrophobicContact CG1-CG 4.38Å; V86-L90 WeakPolarHBondContact O-CG 3.48Å; V86-L90 PolarHBondContact O-N 2.96Å; F87-L90 PolarHBondContact O-N 2.71Å; L90-A93 PolarHBondContact O-N 2.9Å; L90-H94 WeakPolarHBondContact O-CB 3.37Å; L90-H94 PolarHBondContact O-N 2.96Å
91Q94.4Very high92Very high63 Ų6374.4 Ų74.429%0.29436%0.363SS..Hα-helixtrans-64.2-42.3175.8-68.2-65.1-10.200111.9F54 F87 C88 H94 L95F54-Q91 HydrophobicContact CD1-CB 3.73Å; F54-Q91 HydrophobicContact CD1-CG 4.34Å; F54-Q91 HydrophobicContact CD2-CB 4.06Å; F54-Q91 HydrophobicContact CE1-CB 3.61Å; F54-Q91 HydrophobicContact CE1-CG 3.82Å; F54-Q91 HydrophobicContact CE2-CB 3.97Å; F54-Q91 HydrophobicContact CG-CB 3.96Å; F54-Q91 HydrophobicContact CZ-CB 3.75Å; F54-Q91 HydrophobicContact CZ-CG 4.01Å; F87-Q91 HydrophobicContact CD1-CG 4.14Å; F87-Q91 HydrophobicContact CE1-CG 3.8Å; F87-Q91 HydrophobicContact CZ-CG 4.04Å; F87-Q91 VanDerWaalsContact O-CG 3.31Å; F87-Q91 WeakPolarHBondContact O-CG 3.41Å; F87-Q91 PolarHBondContact O-N 2.87Å; C88-Q91 PolarHBondContact O-N 3.47Å; Q91-H94 PolarHBondContact O-N 2.88Å; Q91-L95 WeakPolarHBondContact O-CB 3.42Å; Q91-L95 PolarHBondContact O-N 3.22Å
92L93.4Very high91.3Very high40 Ų4077.6 Ų77.621%0.20938%0.379CS..Hα-helixtrans-60.4-47.7175.1-170.968.1000110.9F51 F54 C88 L89 H94 L95 V96F51-L92 HydrophobicContact CD1-CD1 3.59Å; F51-L92 HydrophobicContact CE1-CD1 4.31Å; F54-L92 HydrophobicContact CB-CB 4.16Å; F54-L92 HydrophobicContact CB-CD1 4.13Å; C88-L92 WeakPolarHBondContact O-CB 3.19Å; C88-L92 PolarHBondContact O-N 2.66Å; L89-L92 PolarHBondContact O-N 3.2Å; L92-H94 PolarHBondContact O-N 3.41Å; L92-L95 PolarHBondContact O-N 3.13Å; L92-V96 WeakPolarHBondContact O-CG2 3.49Å; L92-V96 PolarHBondContact O-N 3.46Å
93A93.3Very high90.5Very high58 Ų5875.7 Ų75.748%0.47938%0.377SS..Hα-helixtrans-61.9-42.3177.700000112.3L89 L90 L95 V96 Y97L89-A93 WeakPolarHBondContact O-CB 3.34Å; L89-A93 PolarHBondContact O-N 3.5Å; L90-A93 PolarHBondContact O-N 2.9Å; A93-L95 VanDerWaalsContact C-N 3.34Å; A93-L95 PolarHBondContact O-N 3.46Å; A93-V96 PolarHBondContact O-N 3.28Å; A93-Y97 WeakPolarHBondContact O-CB 3.49Å; A93-Y97 PolarHBondContact O-N 3.44Å
94H93.2Very high89.7Confident107 Ų10773.2 Ų73.250%0.49536%0.363SS..Hα-helixtrans-62-41.1175.6177.8-103.6000111.9L90 Q91 L92 Y97 R98L90-H94 WeakPolarHBondContact O-CB 3.37Å; L90-H94 PolarHBondContact O-N 2.96Å; Q91-H94 PolarHBondContact O-N 2.88Å; L92-H94 PolarHBondContact O-N 3.41Å; H94-Y97 WeakPolarHBondContact O-CB 3.26Å; H94-Y97 PolarHBondContact O-N 2.99Å; H94-R98 WeakPolarHBondContact O-CG 3.46Å; H94-R98 PolarHBondContact O-N 3.32Å
95L91.5Very high89.1Confident33 Ų3372.5 Ų72.517%0.17337%0.368CS..Hα-helixtrans-66.8-41.3177-169.567.2000112.1C50 F51 Q91 L92 A93 Y97 R98 L99C50-L95 HydrophobicContact CB-CD2 3.47Å; C50-L95 VanDerWaalsContact CB-CD2 3.47Å; F51-L95 HydrophobicContact CB-CD2 4.49Å; F51-L95 HydrophobicContact CD1-CD2 3.82Å; F51-L95 HydrophobicContact CD1-CG 4.4Å; F51-L95 HydrophobicContact CD2-CD2 3.63Å; F51-L95 HydrophobicContact CD2-CG 4.28Å; F51-L95 HydrophobicContact CE1-CB 3.99Å; F51-L95 HydrophobicContact CE1-CD2 3.77Å; F51-L95 HydrophobicContact CE1-CG 3.83Å; F51-L95 HydrophobicContact CE2-CD2 3.61Å; F51-L95 HydrophobicContact CE2-CG 3.72Å; F51-L95 HydrophobicContact CG-CD2 3.72Å; F51-L95 HydrophobicContact CZ-CB 4.04Å; F51-L95 HydrophobicContact CZ-CD2 3.68Å; F51-L95 HydrophobicContact CZ-CG 3.48Å; F51-L95 VanDerWaalsContact CZ-CG 3.48Å; Q91-L95 WeakPolarHBondContact O-CB 3.42Å; Q91-L95 PolarHBondContact O-N 3.22Å; L92-L95 PolarHBondContact O-N 3.13Å; A93-L95 VanDerWaalsContact C-N 3.34Å; A93-L95 PolarHBondContact O-N 3.46Å; L95-Y97 VanDerWaalsContact C-N 3.3Å; L95-Y97 PolarHBondContact O-N 3.42Å; L95-R98 PolarHBondContact O-N 2.93Å; L95-L99 WeakPolarHBondContact O-CB 3.3Å; L95-L99 PolarHBondContact O-N 3.42Å
96V88.9Confident88.6Confident77 Ų7779 Ų7947%0.46740%0.398SS..Hα-helixtrans-57.4-46.5172174.40000110.3F51 L92 A93 L99 R100F51-V96 HydrophobicContact CD1-CG2 4.48Å; F51-V96 HydrophobicContact CE1-CB 4.37Å; F51-V96 HydrophobicContact CE1-CG2 3.54Å; F51-V96 HydrophobicContact CZ-CG2 4.27Å; L92-V96 WeakPolarHBondContact O-CG2 3.49Å; L92-V96 PolarHBondContact O-N 3.46Å; A93-V96 PolarHBondContact O-N 3.28Å; V96-L99 PolarHBondContact O-N 2.98Å; V96-R100 WeakPolarHBondContact O-CB 3.37Å; V96-R100 PolarHBondContact O-N 2.9Å
97Y88Confident88.2Confident140 Ų14078.9 Ų78.955%0.54939%0.394SS..Hα-helixtrans-60.3-48.8-179.7176.3-96.5000111.9A93 H94 L95 R100 E101A93-Y97 WeakPolarHBondContact O-CB 3.49Å; A93-Y97 PolarHBondContact O-N 3.44Å; H94-Y97 WeakPolarHBondContact O-CB 3.26Å; H94-Y97 PolarHBondContact O-N 2.99Å; L95-Y97 VanDerWaalsContact C-N 3.3Å; L95-Y97 PolarHBondContact O-N 3.42Å; Y97-R100 PolarHBondContact O-N 3.3Å; Y97-E101 PolarHBondContact O-N 2.94Å
98R87.8Confident87.9Confident99 Ų9974.4 Ų74.437%0.37437%0.374SS..Hα-helixtrans-59.6-47.7177.8-75.5-65.7-54.2165.512112.2H94 L95 R100 E101 D102H94-R98 WeakPolarHBondContact O-CG 3.46Å; H94-R98 PolarHBondContact O-N 3.32Å; L95-R98 PolarHBondContact O-N 2.93Å; R98-R100 VanDerWaalsContact C-N 3.3Å; R98-R100 PolarHBondContact O-N 3.12Å; R98-E101 IonicContact NH1-OE2 2.9Å; R98-E101 PolarHBondContact O-N 3.35Å; R98-D102 IonicContact CZ-OD1 3.76Å; R98-D102 IonicContact NH2-OD1 3.72Å; R98-D102 PolarHBondContact NH2-OD1 3.08Å; R98-D102 VanDerWaalsContact NH2-OD1 3.13Å; R98-D102 IonicContact NH2-OD2 3.13Å; R98-D102 PolarHBondContact NH2-OD2 2.96Å; R98-D102 WeakPolarHBondContact O-CB 3.5Å; R98-D102 VanDerWaalsContact O-CG 3.27Å; R98-D102 PolarHBondContact O-N 2.63Å
99L85.3Confident87.6Confident69 Ų6977.6 Ų77.636%0.36139%0.391SS..Hα-helixtrans-60.1-43.5178.3-175.768.2000111.1F51 L95 V96 D102 T103F51-L99 HydrophobicContact CE2-CD2 3.91Å; F51-L99 HydrophobicContact CZ-CB 4.42Å; F51-L99 HydrophobicContact CZ-CD2 4.06Å; L95-L99 WeakPolarHBondContact O-CB 3.3Å; L95-L99 PolarHBondContact O-N 3.42Å; V96-L99 PolarHBondContact O-N 2.98Å; L99-D102 PolarHBondContact O-N 2.96Å; L99-T103 PolarHBondContact O-N 3.25Å; L99-T103 PolarHBondContact O-OG1 3.39Å
100R81.1Confident87.4Confident144 Ų14477.5 Ų77.554%0.54339%0.391SS..Hα-helixtrans-63.4-42.8178.2-172.7179.3-170.6-104.61.4112.1V96 Y97 R98 L104V96-R100 WeakPolarHBondContact O-CB 3.37Å; V96-R100 PolarHBondContact O-N 2.9Å; Y97-R100 PolarHBondContact O-N 3.3Å; R98-R100 VanDerWaalsContact C-N 3.3Å; R98-R100 PolarHBondContact O-N 3.12Å; R100-L104 HydrophobicContact CG-CD1 4.13Å; R100-L104 WeakPolarHBondContact O-CB 3.36Å; R100-L104 VanDerWaalsContact O-CG 3.23Å; R100-L104 WeakPolarHBondContact O-CG 3.19Å; R100-L104 PolarHBondContact O-N 3.03Å
101E80.9Confident87.2Confident85 Ų8572.5 Ų72.540%0.39736%0.364SS..Hα-helixtrans-64.4-44.8178-171.1177.2-165.600111.4Y97 R98 L104 A105Y97-E101 PolarHBondContact O-N 2.94Å; R98-E101 IonicContact NH1-OE2 2.9Å; R98-E101 PolarHBondContact O-N 3.35Å; E101-L104 PolarHBondContact O-N 2.85Å; E101-A105 WeakPolarHBondContact O-CB 3.35Å; E101-A105 PolarHBondContact O-N 2.9Å
102D79.1Confident87.1Confident80 Ų8071.4 Ų71.443%0.42836%0.358SS..Hα-helixtrans-65.9-43.5-179.6-67.9-27.7000111.2R98 L99 A105 E106R98-D102 IonicContact CZ-OD1 3.76Å; R98-D102 IonicContact NH2-OD1 3.72Å; R98-D102 PolarHBondContact NH2-OD1 3.08Å; R98-D102 VanDerWaalsContact NH2-OD1 3.13Å; R98-D102 IonicContact NH2-OD2 3.13Å; R98-D102 PolarHBondContact NH2-OD2 2.96Å; R98-D102 WeakPolarHBondContact O-CB 3.5Å; R98-D102 VanDerWaalsContact O-CG 3.27Å; R98-D102 PolarHBondContact O-N 2.63Å; L99-D102 PolarHBondContact O-N 2.96Å; D102-A105 PolarHBondContact O-N 2.98Å; D102-E106 PolarHBondContact O-N 3.29Å; D102-E106 VanDerWaalsContact O-N 3.07Å
103T77.3Confident87Confident69 Ų6974.7 Ų74.742%0.42337%0.371SS..Hα-helixtrans-64.7-42175.7-56.80000112.5L99 A105 E106 E107L99-T103 PolarHBondContact O-N 3.25Å; L99-T103 PolarHBondContact O-OG1 3.39Å; T103-A105 VanDerWaalsContact C-N 3.32Å; T103-A105 PolarHBondContact O-N 3.26Å; T103-E106 PolarHBondContact O-N 3.47Å; T103-E107 PolarHBondContact O-N 3.33Å
104L79.2Confident86.8Confident34 Ų3473.2 Ų73.218%0.17836%0.355CS..Hα-helixtrans-61.6-42.8175.8-75.4170.8000111R100 E101 E106 E107 F108 V137R100-L104 HydrophobicContact CG-CD1 4.13Å; R100-L104 WeakPolarHBondContact O-CB 3.36Å; R100-L104 VanDerWaalsContact O-CG 3.23Å; R100-L104 WeakPolarHBondContact O-CG 3.19Å; R100-L104 PolarHBondContact O-N 3.03Å; E101-L104 PolarHBondContact O-N 2.85Å; L104-E106 VanDerWaalsContact C-N 3.31Å; L104-E106 PolarHBondContact O-N 3.25Å; L104-E107 PolarHBondContact O-N 2.84Å; L104-F108 WeakPolarHBondContact O-CD2 3.42Å; L104-F108 PolarHBondContact O-N 2.93Å; L104-V137 HydrophobicContact CD2-CB 3.6Å; L104-V137 HydrophobicContact CD2-CG2 3.54Å
105A81.4Confident86.7Confident57 Ų5769.6 Ų69.647%0.47134%0.339SS..Hα-helixtrans-62.1-38.4178.500000112.4E101 D102 T103 D109E101-A105 WeakPolarHBondContact O-CB 3.35Å; E101-A105 PolarHBondContact O-N 2.9Å; D102-A105 PolarHBondContact O-N 2.98Å; T103-A105 VanDerWaalsContact C-N 3.32Å; T103-A105 PolarHBondContact O-N 3.26Å; A105-D109 WeakPolarHBondContact O-CB 3.14Å; A105-D109 PolarHBondContact O-N 3.03Å
106E86.8Confident86.6Confident138 Ų13868.5 Ų68.565%0.64534%0.335SS*.Hα-helixtrans-64.6-44.6178-171.2173.7-174.400112.5D102 T103 L104 F108 D109 L110D102-E106 PolarHBondContact O-N 3.29Å; D102-E106 VanDerWaalsContact O-N 3.07Å; T103-E106 PolarHBondContact O-N 3.47Å; L104-E106 VanDerWaalsContact C-N 3.31Å; L104-E106 PolarHBondContact O-N 3.25Å; E106-F108 PolarHBondContact O-N 3.46Å; E106-D109 PolarHBondContact O-N 2.87Å; E106-L110 WeakPolarHBondContact O-CB 3.32Å; E106-L110 PolarHBondContact O-N 2.67Å
107E88.4Confident86.6Confident51 Ų5169.3 Ų69.324%0.23834%0.336CS..Hα-helixtrans-60.5-43.5177.4-70-71.2162.200112T103 L104 L111 V137 L161T103-E107 PolarHBondContact O-N 3.33Å; L104-E107 PolarHBondContact O-N 2.84Å; E107-L111 WeakPolarHBondContact O-CB 3.28Å; E107-L111 PolarHBondContact O-N 2.93Å; E107-V137 HydrophobicContact CB-CG2 4.21Å; E107-L161 HydrophobicContact CB-CD1 4.21Å
108F89.3Confident86.7Confident19 Ų1967.1 Ų67.18%0.08334%0.339CS..Hα-helixtrans-69.3-39.2176.5-72.5-64.5000112.2L104 E106 L110 L111 Y112 Y126 V130 V137 I212L104-F108 WeakPolarHBondContact O-CD2 3.42Å; L104-F108 PolarHBondContact O-N 2.93Å; E106-F108 PolarHBondContact O-N 3.46Å; F108-L110 VanDerWaalsContact C-N 3.34Å; F108-L110 PolarHBondContact O-N 3.07Å; F108-L111 HydrophobicContact CD1-CD2 4.41Å; F108-L111 WeakPolarHBondContact O-CB 3.38Å; F108-L111 PolarHBondContact O-N 2.72Å; F108-Y112 PolarHBondContact O-N 2.68Å; F108-Y126 WeakPolarHBondContact CA-OH 3.45Å; F108-Y126 WeakPolarHBondContact CB-OH 3.27Å; F108-Y126 PolarHBondContact O-OH 3.14Å; F108-V130 HydrophobicContact CD1-CB 4.47Å; F108-V130 HydrophobicContact CD1-CG1 3.86Å; F108-V130 HydrophobicContact CD1-CG2 3.78Å; F108-V130 HydrophobicContact CD2-CG1 4.36Å; F108-V130 HydrophobicContact CE1-CG1 3.86Å; F108-V130 HydrophobicContact CE1-CG2 4.18Å; F108-V130 HydrophobicContact CE2-CG1 4.4Å; F108-V130 HydrophobicContact CG-CG1 4.15Å; F108-V130 HydrophobicContact CG-CG2 4.48Å; F108-V130 HydrophobicContact CZ-CG1 4.16Å; F108-V137 HydrophobicContact CE2-CG2 4.17Å; F108-V137 HydrophobicContact CZ-CG2 4.16Å; F108-I212 HydrophobicContact CE1-CG2 3.88Å; F108-I212 HydrophobicContact CZ-CG2 4.11Å
109D89.4Confident86.8Confident74 Ų7466.4 Ų66.440%0.39634%0.342SS..Hα-helixtrans-62.1-41.9175.4-17860.2000111.8A105 E106 Y112 K113A105-D109 WeakPolarHBondContact O-CB 3.14Å; A105-D109 PolarHBondContact O-N 3.03Å; E106-D109 PolarHBondContact O-N 2.87Å; D109-Y112 PolarHBondContact O-N 2.76Å; D109-K113 WeakPolarHBondContact O-CG 3.27Å; D109-K113 PolarHBondContact O-N 2.94Å; D109-K113 IonicContact OD1-NZ 2.98Å; D109-K113 WeakPolarHBondContact OD2-CE 3.45Å; D109-K113 IonicContact OD2-NZ 3.46Å; D109-K113 PolarHBondContact OD2-NZ 2.85Å
110L91.3Very high87.1Confident78 Ų7871.2 Ų71.241%0.40836%0.363SS..Hα-helixtrans-65.6-41.1176.4-173.463.6000112E106 F108 Y112 K113 T114 Y180E106-L110 WeakPolarHBondContact O-CB 3.32Å; E106-L110 PolarHBondContact O-N 2.67Å; F108-L110 VanDerWaalsContact C-N 3.34Å; F108-L110 PolarHBondContact O-N 3.07Å; L110-Y112 VanDerWaalsContact C-N 3.35Å; L110-K113 PolarHBondContact O-N 3.42Å; L110-T114 WeakPolarHBondContact O-CB 3.23Å; L110-T114 PolarHBondContact O-N 2.82Å; L110-T114 PolarHBondContact O-OG1 3.11Å; L110-Y180 WeakPolarHBondContact CD2-OH 3.49Å; L110-Y180 VanDerWaalsContact CG-OH 3.22Å; L110-Y180 WeakPolarHBondContact CG-OH 3.4Å
111L92.3Very high87.6Confident7 Ų764.4 Ų64.44%0.03734%0.337CS..Hα-helixtrans-58.8-46.1172.7175.564000111.5E107 F108 T114 L115 Y126 L159 L161 Y180 I212E107-L111 WeakPolarHBondContact O-CB 3.28Å; E107-L111 PolarHBondContact O-N 2.93Å; F108-L111 HydrophobicContact CD1-CD2 4.41Å; F108-L111 WeakPolarHBondContact O-CB 3.38Å; F108-L111 PolarHBondContact O-N 2.72Å; L111-T114 PolarHBondContact O-N 3.5Å; L111-L115 HydrophobicContact CD1-CD1 3.68Å; L111-L115 HydrophobicContact CD1-CG 4.18Å; L111-L115 PolarHBondContact O-N 3.33Å; L111-Y126 HydrophobicContact CD2-CE2 4.33Å; L111-Y126 HydrophobicContact CG-CE2 4.44Å; L111-L159 HydrophobicContact CD1-CD2 3.43Å; L111-L159 VanDerWaalsContact CD1-CD2 3.43Å; L111-L159 HydrophobicContact CD2-CD2 4.41Å; L111-L161 HydrophobicContact CB-CD2 4.3Å; L111-L161 HydrophobicContact CD1-CD2 4.11Å; L111-L161 HydrophobicContact CD2-CD2 4.19Å; L111-L161 HydrophobicContact CG-CD2 4.44Å; L111-Y180 HydrophobicContact CD1-CD1 3.99Å; L111-Y180 HydrophobicContact CD1-CE1 4.41Å; L111-I212 HydrophobicContact CD2-CD1 3.44Å; L111-I212 VanDerWaalsContact CD2-CD1 3.44Å
112Y91.1Very high88.1Confident40 Ų4063.4 Ų63.416%0.15734%0.338CS..Iπ-helixtrans-60.4-49.2178.3-179.5-108.5000111.3F108 D109 L110 T114 C116 L117 V121 L123 Y126F108-Y112 PolarHBondContact O-N 2.68Å; D109-Y112 PolarHBondContact O-N 2.76Å; L110-Y112 VanDerWaalsContact C-N 3.35Å; Y112-T114 PolarHBondContact O-N 2.79Å; Y112-C116 HydrophobicContact CD2-CB 3.36Å; Y112-C116 HydrophobicContact CE2-CB 3.66Å; Y112-C116 HydrophobicContact CG-CB 4.22Å; Y112-C116 CarbonylContact O-C 3.54Å; Y112-C116 WeakPolarHBondContact O-CA 3.45Å; Y112-C116 WeakPolarHBondContact O-CB 3.47Å; Y112-C116 PolarHBondContact O-N 3.03Å; Y112-C116 VanDerWaalsContact O-N 3.08Å; Y112-L117 HydrophobicContact CE1-CD1 4.36Å; Y112-L117 WeakPolarHBondContact O-CB 3.4Å; Y112-L117 PolarHBondContact O-N 3.21Å; Y112-V121 PolarHBondContact OH-O 3.43Å; Y112-L123 HydrophobicContact CD2-CD1 4.5Å; Y112-L123 HydrophobicContact CE1-CD1 4.25Å; Y112-L123 HydrophobicContact CE2-CD1 4.25Å; Y112-Y126 AromaticContact CD2-CD1 3.67Å; Y112-Y126 HydrophobicContact CD2-CD1 3.67Å; Y112-Y126 AromaticContact CD2-CD2 3.82Å; Y112-Y126 HydrophobicContact CD2-CD2 3.82Å; Y112-Y126 HydrophobicContact CD2-CE1 4.19Å; Y112-Y126 HydrophobicContact CD2-CE2 4.31Å; Y112-Y126 AromaticContact CD2-CG 3.47Å; Y112-Y126 HydrophobicContact CD2-CG 3.47Å; Y112-Y126 VanDerWaalsContact CD2-CG 3.47Å; Y112-Y126 HydrophobicContact CE2-CD1 4.45Å; Y112-Y126 HydrophobicContact CE2-CG 4.1Å; Y112-Y126 HydrophobicContact CG-CD1 4.15Å; Y112-Y126 HydrophobicContact CG-CE1 4.29Å; Y112-Y126 HydrophobicContact CG-CG 4.35Å
113K91.3Very high88.5Confident110 Ų11063.5 Ų63.548%0.47834%0.338SS..Iπ-helixtrans-61-31.8177.7-73.6169.8177.7166.30113D109 L110D109-K113 WeakPolarHBondContact O-CG 3.27Å; D109-K113 PolarHBondContact O-N 2.94Å; D109-K113 IonicContact OD1-NZ 2.98Å; D109-K113 WeakPolarHBondContact OD2-CE 3.45Å; D109-K113 IonicContact OD2-NZ 3.46Å; D109-K113 PolarHBondContact OD2-NZ 2.85Å; L110-K113 PolarHBondContact O-N 3.42Å
114T90.3Very high89.1Confident26 Ų2666.3 Ų66.316%0.1635%0.346CS..Iπ-helixtrans-84.5-49.4-173.7-66.70000113.6L110 L111 Y112 P118 Y180L110-T114 WeakPolarHBondContact O-CB 3.23Å; L110-T114 PolarHBondContact O-N 2.82Å; L110-T114 PolarHBondContact O-OG1 3.11Å; L111-T114 PolarHBondContact O-N 3.5Å; Y112-T114 PolarHBondContact O-N 2.79Å; T114-P118 WeakPolarHBondContact O-CG 3.33Å; T114-Y180 HydrophobicContact CG2-CD1 3.74Å; T114-Y180 HydrophobicContact CG2-CD2 3.69Å; T114-Y180 HydrophobicContact CG2-CE1 4.06Å; T114-Y180 HydrophobicContact CG2-CE2 4Å; T114-Y180 HydrophobicContact CG2-CG 3.55Å
115L89.8Confident89.6Confident31 Ų3165.8 Ų65.816%0.16234%0.344CS..Iπ-helixtrans-102.9-46.2-174.6-67.6-176.8000112.1L111 L119 L159L111-L115 HydrophobicContact CD1-CD1 3.68Å; L111-L115 HydrophobicContact CD1-CG 4.18Å; L111-L115 PolarHBondContact O-N 3.33Å; L115-L119 VanDerWaalsContact O-CD1 3.26Å; L115-L119 WeakPolarHBondContact O-CD1 3.38Å; L115-L119 WeakPolarHBondContact O-CG 3.29Å; L115-L159 HydrophobicContact CD1-CD1 4.29Å; L115-L159 HydrophobicContact CD1-CD2 3.78Å
116C88.9Confident90.1Very high11 Ų1163.8 Ų63.87%0.07433%0.325CS..Iπ-helixtrans-82.3-37.1-169.3-65.60000113.1Y112 L119 Q120 V121 Y126Y112-C116 HydrophobicContact CD2-CB 3.36Å; Y112-C116 HydrophobicContact CE2-CB 3.66Å; Y112-C116 HydrophobicContact CG-CB 4.22Å; Y112-C116 CarbonylContact O-C 3.54Å; Y112-C116 WeakPolarHBondContact O-CA 3.45Å; Y112-C116 WeakPolarHBondContact O-CB 3.47Å; Y112-C116 PolarHBondContact O-N 3.03Å; Y112-C116 VanDerWaalsContact O-N 3.08Å; C116-L119 CarbonylContact O-C 3.59Å; C116-L119 PolarHBondContact O-N 3.32Å; C116-Q120 PolarHBondContact O-N 3.42Å; C116-Q120 VanDerWaalsContact O-N 3.12Å; C116-V121 HydrophobicContact CB-CB 3.9Å; C116-V121 HydrophobicContact CB-CG1 4.43Å; C116-V121 HydrophobicContact CB-CG2 4.21Å; C116-V121 WeakPolarHBondContact O-CB 3.31Å; C116-V121 PolarHBondContact O-N 3.46Å; C116-Y126 HydrophobicContact CB-CD2 4.4Å; C116-Y126 VanDerWaalsContact SG-CD2 3.57Å
117L89.9Confident90.3Very high94 Ų9462.5 Ų62.549%0.49232%0.317SS..THydrogen-bonded Turntrans-66.7-44.5-178.6-174.571000112.7Y112 L119 Q120Y112-L117 HydrophobicContact CE1-CD1 4.36Å; Y112-L117 WeakPolarHBondContact O-CB 3.4Å; Y112-L117 PolarHBondContact O-N 3.21Å; L117-L119 PolarHBondContact O-N 3.32Å; L117-Q120 PolarHBondContact O-N 2.94Å
118P90.6Very high90.4Very high93 Ų9363.6 Ų63.660%0.60432%0.322SS*.THydrogen-bonded Turntrans-62.4-29.3174.8-23.836.1000113.3T114 Q120T114-P118 WeakPolarHBondContact O-CG 3.33Å; P118-Q120 VanDerWaalsContact C-N 3.29Å
119L89.8Confident90.5Very high85 Ų8563.1 Ų63.145%0.44532%0.32SS..THydrogen-bonded Turntrans-85.82176-68.3167.4000113.1L115 C116 L117 V121 L232 L236L115-L119 VanDerWaalsContact O-CD1 3.26Å; L115-L119 WeakPolarHBondContact O-CD1 3.38Å; L115-L119 WeakPolarHBondContact O-CG 3.29Å; C116-L119 CarbonylContact O-C 3.59Å; C116-L119 PolarHBondContact O-N 3.32Å; L117-L119 PolarHBondContact O-N 3.32Å; L119-V121 HydrophobicContact CB-CG2 3.89Å; L119-V121 PolarHBondContact O-N 3.07Å; L119-L232 HydrophobicContact CD1-CD1 3.88Å; L119-L236 HydrophobicContact CD1-CD2 3.65Å; L119-L236 HydrophobicContact CD1-CG 4.31Å
120Q90.4Very high90.6Very high170 Ų17060.3 Ų60.379%0.79431%0.306SS*.THydrogen-bonded Turntrans5536.6-178.8-56.8177.425.200113.5C116 L117 P118C116-Q120 PolarHBondContact O-N 3.42Å; C116-Q120 VanDerWaalsContact O-N 3.12Å; L117-Q120 PolarHBondContact O-N 2.94Å; P118-Q120 VanDerWaalsContact C-N 3.29Å
121V91.9Very high90.5Very high1 Ų163 Ų631%0.00632%0.316CS..  trans-70.9127.1-179.5176.80000110.2Y112 C116 L119 T125 Y228 L232Y112-V121 PolarHBondContact OH-O 3.43Å; C116-V121 HydrophobicContact CB-CB 3.9Å; C116-V121 HydrophobicContact CB-CG1 4.43Å; C116-V121 HydrophobicContact CB-CG2 4.21Å; C116-V121 WeakPolarHBondContact O-CB 3.31Å; C116-V121 PolarHBondContact O-N 3.46Å; L119-V121 HydrophobicContact CB-CG2 3.89Å; L119-V121 PolarHBondContact O-N 3.07Å; V121-T125 HydrophobicContact CG1-CG2 4.42Å; V121-Y228 WeakPolarHBondContact CA-OH 3.39Å; V121-Y228 HydrophobicContact CG1-CE1 4.26Å; V121-L232 HydrophobicContact CG1-CD2 4.04Å; V121-L232 HydrophobicContact CG2-CD1 3.77Å; V121-L232 HydrophobicContact CG2-CD2 3.69Å; V121-L232 HydrophobicContact CG2-CG 4.4Å
122P90.9Very high90.5Very high63 Ų6363.7 Ų63.741%0.40932%0.321SS..  trans-59.1140.3175.8-23.433.2000112.1Q124 T125 Y126 Y228P122-Q124 PolarHBondContact O-N 2.95Å; P122-T125 WeakPolarHBondContact O-CB 3.28Å; P122-T125 PolarHBondContact O-N 3.25Å; P122-Y126 PolarHBondContact O-N 3.33Å; P122-Y126 VanDerWaalsContact O-N 3.11Å; P122-Y228 WeakPolarHBondContact CD-OH 3.48Å
123L88.6Confident90.2Very high82 Ų8261.9 Ų61.943%0.42931%0.314SS..Hα-helixtrans-60.6-31.5-178.6-173.366000112.9Y112 Y126 K127Y112-L123 HydrophobicContact CD2-CD1 4.5Å; Y112-L123 HydrophobicContact CE1-CD1 4.25Å; Y112-L123 HydrophobicContact CE2-CD1 4.25Å; L123-Y126 HydrophobicContact CD1-CD1 4.24Å; L123-Y126 PolarHBondContact O-N 3.43Å; L123-K127 WeakPolarHBondContact O-CG 3.29Å; L123-K127 PolarHBondContact O-N 3.39Å
124Q89.1Confident90Very high128 Ų12863 Ų6360%0.59832%0.321SS*.Hα-helixtrans-65.5-45.3178-59.4-59.2-14.600111.4P122 Y126 K127 E128P122-Q124 PolarHBondContact O-N 2.95Å; Q124-Y126 VanDerWaalsContact C-N 3.32Å; Q124-Y126 PolarHBondContact O-N 3.11Å; Q124-K127 WeakPolarHBondContact O-CB 3.26Å; Q124-K127 PolarHBondContact O-N 3.13Å; Q124-E128 PolarHBondContact O-N 3.41Å
125T90.9Very high89.6Confident23 Ų2367.7 Ų67.714%0.14134%0.34CS..Hα-helixtrans-60.4-43.3174.2-51.10000111.3V121 P122 K127 E128 I129 Y228 I229V121-T125 HydrophobicContact CG1-CG2 4.42Å; P122-T125 WeakPolarHBondContact O-CB 3.28Å; P122-T125 PolarHBondContact O-N 3.25Å; T125-K127 VanDerWaalsContact C-N 3.31Å; T125-K127 PolarHBondContact O-N 2.76Å; T125-E128 WeakPolarHBondContact O-CB 3.43Å; T125-E128 PolarHBondContact O-N 2.91Å; T125-E128 VanDerWaalsContact O-N 3.14Å; T125-I129 HydrophobicContact CG2-CD1 4.36Å; T125-I129 WeakPolarHBondContact O-CG1 3.3Å; T125-I129 PolarHBondContact O-N 3.17Å; T125-I129 VanDerWaalsContact O-N 3.13Å; T125-Y228 HydrophobicContact CG2-CD1 3.64Å; T125-Y228 HydrophobicContact CG2-CE1 3.79Å; T125-I229 HydrophobicContact CG2-CD1 3.75Å; T125-I229 HydrophobicContact CG2-CG1 3.35Å
126Y91.4Very high89.4Confident15 Ų1570 Ų706%0.05935%0.35CS..Hα-helixtrans-59.6-41.7176.7177.9-108.7000112.3F108 L111 Y112 C116 P122 L123 Q124 E128 I129 V130F108-Y126 WeakPolarHBondContact CA-OH 3.45Å; F108-Y126 WeakPolarHBondContact CB-OH 3.27Å; F108-Y126 PolarHBondContact O-OH 3.14Å; L111-Y126 HydrophobicContact CD2-CE2 4.33Å; L111-Y126 HydrophobicContact CG-CE2 4.44Å; Y112-Y126 AromaticContact CD2-CD1 3.67Å; Y112-Y126 HydrophobicContact CD2-CD1 3.67Å; Y112-Y126 AromaticContact CD2-CD2 3.82Å; Y112-Y126 HydrophobicContact CD2-CD2 3.82Å; Y112-Y126 HydrophobicContact CD2-CE1 4.19Å; Y112-Y126 HydrophobicContact CD2-CE2 4.31Å; Y112-Y126 AromaticContact CD2-CG 3.47Å; Y112-Y126 HydrophobicContact CD2-CG 3.47Å; Y112-Y126 VanDerWaalsContact CD2-CG 3.47Å; Y112-Y126 HydrophobicContact CE2-CD1 4.45Å; Y112-Y126 HydrophobicContact CE2-CG 4.1Å; Y112-Y126 HydrophobicContact CG-CD1 4.15Å; Y112-Y126 HydrophobicContact CG-CE1 4.29Å; Y112-Y126 HydrophobicContact CG-CG 4.35Å; C116-Y126 HydrophobicContact CB-CD2 4.4Å; C116-Y126 VanDerWaalsContact SG-CD2 3.57Å; P122-Y126 PolarHBondContact O-N 3.33Å; P122-Y126 VanDerWaalsContact O-N 3.11Å; L123-Y126 HydrophobicContact CD1-CD1 4.24Å; L123-Y126 PolarHBondContact O-N 3.43Å; Q124-Y126 VanDerWaalsContact C-N 3.32Å; Q124-Y126 PolarHBondContact O-N 3.11Å; Y126-E128 VanDerWaalsContact C-N 3.27Å; Y126-E128 PolarHBondContact O-N 3.37Å; Y126-I129 PolarHBondContact O-N 3.13Å; Y126-I129 VanDerWaalsContact O-N 3.17Å; Y126-V130 HydrophobicContact CD1-CG2 4.09Å; Y126-V130 HydrophobicContact CD2-CG2 4.17Å; Y126-V130 HydrophobicContact CE1-CG2 3.52Å; Y126-V130 HydrophobicContact CE2-CG2 3.63Å; Y126-V130 HydrophobicContact CG-CG2 4.37Å; Y126-V130 WeakPolarHBondContact O-CG2 3.44Å; Y126-V130 PolarHBondContact O-N 3.01Å; Y126-V130 WeakPolarHBondContact OH-CG2 3.37Å
127K89.8Confident89.4Confident111 Ų11170.7 Ų70.748%0.48335%0.353SS..Hα-helixtrans-60.3-35.6175.9-74174.9178.9-179.20112.7L123 Q124 T125 H131L123-K127 WeakPolarHBondContact O-CG 3.29Å; L123-K127 PolarHBondContact O-N 3.39Å; Q124-K127 WeakPolarHBondContact O-CB 3.26Å; Q124-K127 PolarHBondContact O-N 3.13Å; T125-K127 VanDerWaalsContact C-N 3.31Å; T125-K127 PolarHBondContact O-N 2.76Å; K127-H131 VanDerWaalsContact O-CB 3.29Å; K127-H131 WeakPolarHBondContact O-CB 3.4Å; K127-H131 PolarHBondContact O-N 3.2Å
128E91.8Very high89.6Confident74 Ų7468.4 Ų68.435%0.34634%0.341SS..Hα-helixtrans-67.3-42.5175.2-66.2179.9178.700111.7Q124 T125 Y126 V130 H131 C132 I229Q124-E128 PolarHBondContact O-N 3.41Å; T125-E128 WeakPolarHBondContact O-CB 3.43Å; T125-E128 PolarHBondContact O-N 2.91Å; T125-E128 VanDerWaalsContact O-N 3.14Å; Y126-E128 VanDerWaalsContact C-N 3.27Å; Y126-E128 PolarHBondContact O-N 3.37Å; E128-V130 PolarHBondContact O-N 3.21Å; E128-H131 PolarHBondContact O-N 3.17Å; E128-C132 PolarHBondContact O-N 3.16Å; E128-I229 HydrophobicContact CB-CD1 4.27Å
129I92.1Very high89.7Confident10 Ų1069.2 Ų69.25%0.05135%0.345CS..Hα-helixtrans-61.8-44.7175.9-62167.7000110.7T125 Y126 H131 C132 C133 W214 I229 L232 F233T125-I129 HydrophobicContact CG2-CD1 4.36Å; T125-I129 WeakPolarHBondContact O-CG1 3.3Å; T125-I129 PolarHBondContact O-N 3.17Å; T125-I129 VanDerWaalsContact O-N 3.13Å; Y126-I129 PolarHBondContact O-N 3.13Å; Y126-I129 VanDerWaalsContact O-N 3.17Å; I129-H131 VanDerWaalsContact C-N 3.34Å; I129-C132 WeakPolarHBondContact O-CB 3.48Å; I129-C132 PolarHBondContact O-N 3.04Å; I129-C133 PolarHBondContact O-N 3.44Å; I129-W214 HydrophobicContact CG2-CZ2 3.78Å; I129-W214 PolarHBondContact O-NE1 3.42Å; I129-I229 HydrophobicContact CD1-CG2 4.18Å; I129-I229 HydrophobicContact CG1-CD1 4.15Å; I129-I229 HydrophobicContact CG1-CG1 4.5Å; I129-I229 HydrophobicContact CG1-CG2 3.96Å; I129-L232 HydrophobicContact CD1-CD2 3.99Å; I129-F233 HydrophobicContact CD1-CE2 4Å; I129-F233 HydrophobicContact CG1-CE2 4.08Å; I129-F233 HydrophobicContact CG2-CE2 3.94Å; I129-F233 HydrophobicContact CG2-CZ 3.89Å
130V91.2Very high90Very high15 Ų1565.4 Ų65.49%0.09133%0.325CS..Hα-helixtrans-68.5-33.31781710000112F108 Y126 E128 C132 C133 K135F108-V130 HydrophobicContact CD1-CB 4.47Å; F108-V130 HydrophobicContact CD1-CG1 3.86Å; F108-V130 HydrophobicContact CD1-CG2 3.78Å; F108-V130 HydrophobicContact CD2-CG1 4.36Å; F108-V130 HydrophobicContact CE1-CG1 3.86Å; F108-V130 HydrophobicContact CE1-CG2 4.18Å; F108-V130 HydrophobicContact CE2-CG1 4.4Å; F108-V130 HydrophobicContact CG-CG1 4.15Å; F108-V130 HydrophobicContact CG-CG2 4.48Å; F108-V130 HydrophobicContact CZ-CG1 4.16Å; Y126-V130 HydrophobicContact CD1-CG2 4.09Å; Y126-V130 HydrophobicContact CD2-CG2 4.17Å; Y126-V130 HydrophobicContact CE1-CG2 3.52Å; Y126-V130 HydrophobicContact CE2-CG2 3.63Å; Y126-V130 HydrophobicContact CG-CG2 4.37Å; Y126-V130 WeakPolarHBondContact O-CG2 3.44Å; Y126-V130 PolarHBondContact O-N 3.01Å; Y126-V130 WeakPolarHBondContact OH-CG2 3.37Å; E128-V130 PolarHBondContact O-N 3.21Å; V130-C132 VanDerWaalsContact C-N 3.31Å; V130-C133 PolarHBondContact O-N 3.42Å; V130-C133 PolarHBondContact O-SG 2.91Å; V130-K135 HydrophobicContact CG1-CG 4.02Å; V130-K135 PolarHBondContact O-N 3.23Å
131H89.4Confident90.2Very high135 Ų13559.9 Ų59.963%0.62531%0.308SS*.Hα-helixtrans-67.1-35.3173.6-17342.8000111.9K127 E128 I129 C133 E134K127-H131 VanDerWaalsContact O-CB 3.29Å; K127-H131 WeakPolarHBondContact O-CB 3.4Å; K127-H131 PolarHBondContact O-N 3.2Å; E128-H131 PolarHBondContact O-N 3.17Å; I129-H131 VanDerWaalsContact C-N 3.34Å; H131-C133 VanDerWaalsContact C-N 3.33Å; H131-C133 PolarHBondContact O-N 3.29Å; H131-E134 PolarHBondContact O-N 2.97Å; H131-E134 VanDerWaalsContact O-N 3.12Å
132C90.4Very high90.4Very high20 Ų2063.7 Ų63.714%0.13533%0.331CS..Hα-helixtrans-67.1-28.9177.9-170.40000113.6E128 I129 V130 E134 L222E128-C132 PolarHBondContact O-N 3.16Å; I129-C132 WeakPolarHBondContact O-CB 3.48Å; I129-C132 PolarHBondContact O-N 3.04Å; V130-C132 VanDerWaalsContact C-N 3.31Å; C132-E134 PolarHBondContact O-N 3.04Å; C132-L222 HydrophobicContact CB-CD2 3.81Å
133C86.4Confident90.6Very high3 Ų365.6 Ų65.62%0.0234%0.335CS..THydrogen-bonded Turntrans-88.223.5171.165.80000113.5I129 V130 H131 K135 Q136 S213 W214I129-C133 PolarHBondContact O-N 3.44Å; V130-C133 PolarHBondContact O-N 3.42Å; V130-C133 PolarHBondContact O-SG 2.91Å; H131-C133 VanDerWaalsContact C-N 3.33Å; H131-C133 PolarHBondContact O-N 3.29Å; C133-K135 PolarHBondContact O-N 3.09Å; C133-Q136 PolarHBondContact O-N 3.44Å; C133-S213 VanDerWaalsContact CB-O 3.31Å; C133-S213 WeakPolarHBondContact CB-O 3.17Å; C133-W214 HydrophobicContact CB-CD2 4.18Å; C133-W214 HydrophobicContact CB-CG 4Å
134E85.4Confident91Very high133 Ų13366.2 Ų66.262%0.62134%0.335SS*.THydrogen-bonded Turntrans57.215.7177.2-58.1179.2-167.100114.6H131 C132 Q136H131-E134 PolarHBondContact O-N 2.97Å; H131-E134 VanDerWaalsContact O-N 3.12Å; C132-E134 PolarHBondContact O-N 3.04Å; E134-Q136 PolarHBondContact O-N 3.42Å
135K83.4Confident91.3Very high125 Ų12563.2 Ų63.254%0.54333%0.326SS..THydrogen-bonded Turntrans52.430.3-173.7-49.9-174176.4175.60113.5V130 C133V130-K135 HydrophobicContact CG1-CG 4.02Å; V130-K135 PolarHBondContact O-N 3.23Å; C133-K135 PolarHBondContact O-N 3.09Å
136Q85.4Confident91.5Very high80 Ų8063.4 Ų63.437%0.37432%0.324SS..  trans-107.9132-177.9-169.2174.532.600111.3C133 E134 L138C133-Q136 PolarHBondContact O-N 3.44Å; E134-Q136 PolarHBondContact O-N 3.42Å; Q136-L138 HydrophobicContact CG-CD2 4.06Å
137V89.6Confident91.7Very high24 Ų2462.7 Ų62.715%0.14532%0.322CS..  trans-98.6125164.3178.20000107.9L104 E107 F108 L161 I212L104-V137 HydrophobicContact CD2-CB 3.6Å; L104-V137 HydrophobicContact CD2-CG2 3.54Å; E107-V137 HydrophobicContact CB-CG2 4.21Å; F108-V137 HydrophobicContact CE2-CG2 4.17Å; F108-V137 HydrophobicContact CZ-CG2 4.16Å; V137-L161 HydrophobicContact CG1-CD1 3.96Å; V137-L161 HydrophobicContact CG2-CD1 3.88Å; V137-I212 HydrophobicContact CG2-CG2 4.04Å
138L92.3Very high92Very high46 Ų4659.3 Ų59.324%0.24131%0.31CS..EExtended strand (participates in β ladder)trans-94.9151.8176.7-62.1173.7000109.3Q136 S210 Y211Q136-L138 HydrophobicContact CG-CD2 4.06Å; L138-S210 CarbonylContact O-C 3.55Å; L138-S210 VanDerWaalsContact O-CA 3.31Å; L138-S210 WeakPolarHBondContact O-CA 3.34Å; L138-Y211 HydrophobicContact CB-CD1 4.02Å; L138-Y211 HydrophobicContact CB-CD2 4.27Å; L138-Y211 HydrophobicContact CB-CE1 3.56Å; L138-Y211 HydrophobicContact CB-CE2 3.86Å; L138-Y211 HydrophobicContact CB-CG 4.35Å; L138-Y211 VanDerWaalsContact CB-CZ 3.49Å; L138-Y211 HydrophobicContact CD1-CD2 4.41Å; L138-Y211 HydrophobicContact CD1-CE2 3.58Å; L138-Y211 HydrophobicContact CG-CE2 4.33Å; L138-Y211 PolarHBondContact N-O 3.33Å; L138-Y211 PolarHBondContact O-N 3.48Å
139T93.9Very high92.1Very high111 Ų11158.3 Ų58.368%0.68131%0.306SS*.EExtended strand (participates in β ladder)trans-119.4143.2179.556.60000109.7C209T139-C209 WeakPolarHBondContact CA-O 3.42Å
140L94.6Very high92.1Very high5 Ų560.3 Ų60.33%0.02633%0.328CS..EExtended strand (participates in β ladder)trans-128120.2178.8-168.970.9000107.6Q144 A205 C209 Y211L140-Q144 HydrophobicContact CD1-CB 3.8Å; L140-Q144 HydrophobicContact CD1-CG 3.6Å; L140-Q144 HydrophobicContact CG-CB 4.08Å; L140-Q144 HydrophobicContact CG-CG 4.43Å; L140-A205 HydrophobicContact CB-CB 4.41Å; L140-A205 HydrophobicContact CD2-CB 3.53Å; L140-A205 HydrophobicContact CG-CB 3.72Å; L140-C209 HydrophobicContact CB-CB 4.18Å; L140-C209 PolarHBondContact N-O 3.28Å; L140-C209 PolarHBondContact O-N 3.12Å; L140-Y211 HydrophobicContact CB-CD1 4.45Å; L140-Y211 HydrophobicContact CB-CE1 4.17Å
141A95.6Very high92.3Very high53 Ų5366.6 Ų66.644%0.43836%0.357SS..  trans-73160.2-179.700000111.3E143 Q144 A205A141-E143 PolarHBondContact O-N 3.28Å; A141-Q144 HydrophobicContact CB-CB 4.3Å; A141-Q144 WeakPolarHBondContact O-CB 3.4Å; A141-Q144 PolarHBondContact O-N 2.98Å; A141-A205 WeakPolarHBondContact O-CB 3.4Å
142T96.1Very high92.5Very high82 Ų8261.6 Ų61.650%0.50334%0.336SS..THydrogen-bonded Turntrans-55.9135.4174-53.80000111.1Q144 E206 S208T142-Q144 PolarHBondContact O-N 3.4Å; T142-E206 WeakPolarHBondContact CG2-O 3.41Å; T142-S208 PolarHBondContact OG1-N 3.1Å
143E95.4Very high92.7Very high103 Ų10363.9 Ų63.948%0.48135%0.351SS..THydrogen-bonded Turntrans62.96.7-173.3-59-60.113500115.6A141 R166 T204 A205A141-E143 PolarHBondContact O-N 3.28Å; E143-R166 IonicContact OE1-NH1 2.81Å; E143-R166 PolarHBondContact OE1-NH1 2.93Å; E143-R166 IonicContact OE2-CZ 3.28Å; E143-R166 VanDerWaalsContact OE2-CZ 3.28Å; E143-R166 IonicContact OE2-NH1 3.52Å; E143-R166 PolarHBondContact OE2-NH1 2.97Å; E143-R166 IonicContact OE2-NH2 3.91Å; E143-R166 PolarHBondContact OE2-NH2 3.4Å; E143-T204 WeakPolarHBondContact O-CG2 3.48Å; E143-A205 VanDerWaalsContact CA-O 3.3Å; E143-A205 WeakPolarHBondContact CA-O 3.38Å; E143-A205 PolarHBondContact N-O 2.98Å
144Q96.2Very high93Very high94 Ų9464.3 Ų64.344%0.43935%0.353SS..  trans-78.4136.3173-167.4-179.9-4.100110.8L140 A141 T142 A205L140-Q144 HydrophobicContact CD1-CB 3.8Å; L140-Q144 HydrophobicContact CD1-CG 3.6Å; L140-Q144 HydrophobicContact CG-CB 4.08Å; L140-Q144 HydrophobicContact CG-CG 4.43Å; A141-Q144 HydrophobicContact CB-CB 4.3Å; A141-Q144 WeakPolarHBondContact O-CB 3.4Å; A141-Q144 PolarHBondContact O-N 2.98Å; T142-Q144 PolarHBondContact O-N 3.4Å; Q144-A205 PolarHBondContact O-N 3.41Å
145T95.4Very high93.3Very high66 Ų6661.3 Ų61.341%0.40534%0.341SS..EExtended strand (participates in β ladder)trans-85125.5177.451.20000111V148 T202 L203 T204T145-V148 HydrophobicContact CG2-CG2 4.48Å; T145-T202 HydrophobicContact CG2-CG2 4.31Å; T145-L203 CarbonylContact C-O 3.54Å; T145-L203 WeakPolarHBondContact CA-O 3.31Å; T145-T204 HydrophobicContact CG2-CG2 4.09Å
146Y96.2Very high93.8Very high26 Ų2659.8 Ų59.810%0.10233%0.332CS..EExtended strand (participates in β ladder)trans-75-43.9169.7168.4-100.4000111.2R156 S158 M183 D184 F199 L203 Y211Y146-R156 WeakPolarHBondContact OH-CD 3.47Å; Y146-R156 WeakPolarHBondContact OH-CG 3.5Å; Y146-S158 VanDerWaalsContact OH-CB 3.29Å; Y146-S158 WeakPolarHBondContact OH-CB 3.43Å; Y146-S158 PolarHBondContact OH-OG 3.43Å; Y146-M183 HydrophobicContact CD1-CE 3.66Å; Y146-M183 HydrophobicContact CD2-CE 3.83Å; Y146-M183 HydrophobicContact CE1-CB 4.4Å; Y146-M183 HydrophobicContact CE1-CE 4.22Å; Y146-M183 HydrophobicContact CE2-CE 4.38Å; Y146-M183 HydrophobicContact CG-CE 3.44Å; Y146-M183 VanDerWaalsContact CG-CE 3.44Å; Y146-D184 PolarHBondContact OH-OD2 3.06Å; Y146-F199 HydrophobicContact CE1-CE1 4.18Å; Y146-F199 AromaticContact CE1-CZ 3.93Å; Y146-F199 HydrophobicContact CE1-CZ 3.93Å; Y146-L203 HydrophobicContact CD1-CB 4.1Å; Y146-L203 HydrophobicContact CD1-CD1 4.4Å; Y146-L203 HydrophobicContact CD1-CD2 4.15Å; Y146-L203 HydrophobicContact CD1-CG 4.46Å; Y146-L203 PolarHBondContact N-O 3.35Å; Y146-Y211 HydrophobicContact CD2-CE2 4.12Å; Y146-Y211 AromaticContact CD2-CZ 3.98Å; Y146-Y211 HydrophobicContact CE2-CD2 4.42Å; Y146-Y211 AromaticContact CE2-CE2 3.73Å; Y146-Y211 HydrophobicContact CE2-CE2 3.73Å
147A96.2Very high94.3Very high0 Ų056 Ų560%031%0.314CS..EExtended strand (participates in β ladder)trans-144.2146.5177.100000109.7T152 F199 T202 L203A147-T152 WeakPolarHBondContact CA-OG1 3.5Å; A147-T152 HydrophobicContact CB-CG2 3.84Å; A147-F199 HydrophobicContact CB-CB 4.18Å; A147-F199 HydrophobicContact CB-CD1 3.61Å; A147-F199 HydrophobicContact CB-CD2 3.87Å; A147-F199 HydrophobicContact CB-CE1 3.9Å; A147-F199 HydrophobicContact CB-CE2 4.13Å; A147-F199 HydrophobicContact CB-CG 3.6Å; A147-F199 HydrophobicContact CB-CZ 4.15Å; A147-T202 CarbonylContact O-C 3.52Å; A147-T202 WeakPolarHBondContact O-CA 3.5Å; A147-T202 WeakPolarHBondContact O-CG2 3.23Å; A147-L203 HydrophobicContact CB-CD1 3.87Å; A147-L203 PolarHBondContact O-N 3.45Å
148V95.6Very high94.6Very high41 Ų4154.9 Ų54.925%0.24831%0.307CS..  trans-114132.8176.6-178.80000108.3T145 G150 E151 T152T145-V148 HydrophobicContact CG2-CG2 4.48Å; V148-G150 PolarHBondContact O-N 2.9Å; V148-E151 HydrophobicContact CB-CB 4.19Å; V148-E151 HydrophobicContact CG1-CB 4.23Å; V148-E151 HydrophobicContact CG1-CG 4.12Å; V148-E151 PolarHBondContact O-N 3.11Å; V148-T152 PolarHBondContact N-OG1 3.43Å; V148-T152 PolarHBondContact O-N 3.35Å; V148-T152 PolarHBondContact O-OG1 3.18Å
149E94.1Very high94.8Very high53 Ų5352.8 Ų52.825%0.24830%0.296CS..THydrogen-bonded Turntrans-55.1131.8177.4178.9171.7-174.900111.5E151 D170 F199 T202E149-E151 PolarHBondContact O-N 3.18Å; E149-D170 PolarHBondContact OE2-N 3.27Å; E149-F199 CarbonylContact C-O 3.51Å; E149-F199 WeakPolarHBondContact CA-O 3.48Å; E149-T202 WeakPolarHBondContact CB-OG1 3.41Å; E149-T202 PolarHBondContact N-OG1 2.97Å; E149-T202 VanDerWaalsContact N-OG1 3.1Å
150G92.4Very high94.9Very high51 Ų5147.5 Ų47.553%0.52626%0.263SS..THydrogen-bonded Turntrans73.9-13.7179.400000115.5V148 F199V148-G150 PolarHBondContact O-N 2.9Å; G150-F199 PolarHBondContact N-O 3.21Å
151E93.5Very high94.9Very high147 Ų14747.4 Ų47.469%0.68726%0.263SS*.THydrogen-bonded Turntrans-110.3-45-173.9-63-171.7169.700113.2V148 E149V148-E151 HydrophobicContact CB-CB 4.19Å; V148-E151 HydrophobicContact CG1-CB 4.23Å; V148-E151 HydrophobicContact CG1-CG 4.12Å; V148-E151 PolarHBondContact O-N 3.11Å; E149-E151 PolarHBondContact O-N 3.18Å
152T94.4Very high94.9Very high30 Ų3047 Ų4718%0.18426%0.257CS..SBendtrans-78.2128-172.8-58.60000110.1A147 V148 V198 F199A147-T152 WeakPolarHBondContact CA-OG1 3.5Å; A147-T152 HydrophobicContact CB-CG2 3.84Å; V148-T152 PolarHBondContact N-OG1 3.43Å; V148-T152 PolarHBondContact O-N 3.35Å; V148-T152 PolarHBondContact O-OG1 3.18Å; T152-V198 CarbonylContact O-C 3.59Å; T152-V198 VanDerWaalsContact O-CA 3.24Å; T152-V198 WeakPolarHBondContact O-CA 3.39Å; T152-F199 HydrophobicContact CG2-CD2 3.78Å; T152-F199 HydrophobicContact CG2-CE2 4.02Å; T152-F199 WeakPolarHBondContact O-CD2 3.47Å; T152-F199 PolarHBondContact O-N 3.41Å
153P94Very high94.8Very high69 Ų6944.2 Ų44.245%0.44825%0.245SC..BIsolated β-bridgetrans-77.6144.8177.230.6-34.7000111.9N155 G197P153-N155 PolarHBondContact O-N 3.46Å; P153-N155 VanDerWaalsContact O-N 3.07Å; P153-G197 WeakPolarHBondContact CA-O 3.13Å
154I93Very high94.9Very high12 Ų1242.7 Ų42.76%0.06224%0.235CC..  trans-83.383.6177.6-57.5164000109.1E187 L191 G197 V198 F199I154-E187 HydrophobicContact CD1-CB 3.75Å; I154-E187 HydrophobicContact CD1-CG 4.11Å; I154-E187 HydrophobicContact CG1-CB 4.04Å; I154-E187 HydrophobicContact CG1-CG 4.46Å; I154-E187 HydrophobicContact CG2-CB 4.08Å; I154-L191 HydrophobicContact CB-CD1 3.59Å; I154-L191 HydrophobicContact CD1-CD1 3.59Å; I154-L191 HydrophobicContact CD1-CG 4.29Å; I154-L191 HydrophobicContact CG1-CD1 4.17Å; I154-L191 HydrophobicContact CG2-CD1 3.78Å; I154-G197 PolarHBondContact N-O 2.84Å; I154-V198 VanDerWaalsContact CD1-O 3.28Å; I154-V198 WeakPolarHBondContact CD1-O 3.37Å; I154-F199 HydrophobicContact CB-CE2 4.45Å; I154-F199 HydrophobicContact CG1-CD2 3.74Å; I154-F199 HydrophobicContact CG1-CE2 3.91Å; I154-F199 HydrophobicContact CG1-CG 4.33Å
155N92.9Very high95Very high69 Ų6938.2 Ų38.237%0.36921%0.214SC..  trans-120.35.1-175.566.90.8000114.5P153 R216P153-N155 PolarHBondContact O-N 3.46Å; P153-N155 VanDerWaalsContact O-N 3.07Å; N155-R216 VanDerWaalsContact C-CB 3.49Å; N155-R216 WeakPolarHBondContact O-CB 3.47Å; N155-R216 PolarHBondContact O-N 3.43Å
156R93.6Very high95Very high94 Ų9438.9 Ų38.936%0.35521%0.209SC..EExtended strand (participates in β ladder)trans-149.2163.6-176.971.3-16786.3-1279.2110.6Y146 S213 W214Y146-R156 WeakPolarHBondContact OH-CD 3.47Å; Y146-R156 WeakPolarHBondContact OH-CG 3.5Å; R156-S213 VanDerWaalsContact CD-OG 3.3Å; R156-S213 WeakPolarHBondContact CD-OG 3.37Å; R156-W214 CarbonylContact C-O 3.59Å; R156-W214 VanDerWaalsContact CA-O 3.27Å; R156-W214 WeakPolarHBondContact CA-O 3.21Å
157L95.6Very high94.9Very high0 Ų037.9 Ų37.90%021%0.205CC..EExtended strand (participates in β ladder)trans-119133165.8179.571.7000107.1F182 D184 W188 S213 W214 L219 F233 L237L157-F182 HydrophobicContact CD1-CD1 3.81Å; L157-F182 HydrophobicContact CD1-CE1 4.29Å; L157-F182 HydrophobicContact CD2-CD1 4.13Å; L157-F182 HydrophobicContact CD2-CE1 3.74Å; L157-F182 HydrophobicContact CG-CD1 3.88Å; L157-F182 HydrophobicContact CG-CE1 3.96Å; L157-D184 WeakPolarHBondContact CA-OD1 3.35Å; L157-D184 WeakPolarHBondContact CD1-OD1 3.37Å; L157-W188 HydrophobicContact CB-CD2 4.14Å; L157-W188 HydrophobicContact CB-CE3 3.7Å; L157-W188 HydrophobicContact CB-CZ3 4.02Å; L157-W188 HydrophobicContact CD1-CB 3.76Å; L157-W188 HydrophobicContact CD1-CD2 4.24Å; L157-W188 HydrophobicContact CD1-CE3 4.49Å; L157-W188 HydrophobicContact CD1-CG 3.9Å; L157-S213 CarbonylContact O-C 3.49Å; L157-S213 WeakPolarHBondContact O-CA 3.41Å; L157-S213 PolarHBondContact O-OG 3.4Å; L157-W214 PolarHBondContact N-O 3.47Å; L157-W214 PolarHBondContact O-N 3.41Å; L157-L219 HydrophobicContact CB-CD2 3.98Å; L157-L219 HydrophobicContact CD2-CD2 3.54Å; L157-L219 HydrophobicContact CG-CD2 4.41Å; L157-F233 HydrophobicContact CD2-CD1 4.02Å; L157-F233 HydrophobicContact CD2-CE1 3.86Å; L157-L237 HydrophobicContact CD1-CD2 3.88Å; L157-L237 HydrophobicContact CD2-CD2 4.16Å
158S96.4Very high94.8Very high0 Ų038.7 Ų38.70%021%0.211CC..EExtended strand (participates in β ladder)trans-131.5142.5-174.8-60.30000112.4Y146 F182 M183 D184 I212 S213Y146-S158 VanDerWaalsContact OH-CB 3.29Å; Y146-S158 WeakPolarHBondContact OH-CB 3.43Å; Y146-S158 PolarHBondContact OH-OG 3.43Å; S158-F182 WeakPolarHBondContact O-CA 3.34Å; S158-M183 PolarHBondContact O-N 3Å; S158-D184 PolarHBondContact N-OD1 3.22Å; S158-D184 PolarHBondContact N-OD2 2.91Å; S158-I212 CarbonylContact C-O 3.54Å; S158-I212 WeakPolarHBondContact CA-O 3.1Å; S158-I212 WeakPolarHBondContact CB-O 3.24Å; S158-S213 VanDerWaalsContact OG-CB 3.31Å; S158-S213 WeakPolarHBondContact OG-CB 3.33Å; S158-S213 PolarHBondContact OG-OG 2.9Å
159L96.3Very high94.7Very high2 Ų240.5 Ų40.51%0.0122%0.217CC..EExtended strand (participates in β ladder)trans-120.4127.2178.3-17685.5000109.7L111 L115 F182 Y211 I212 W214L111-L159 HydrophobicContact CD1-CD2 3.43Å; L111-L159 VanDerWaalsContact CD1-CD2 3.43Å; L111-L159 HydrophobicContact CD2-CD2 4.41Å; L115-L159 HydrophobicContact CD1-CD1 4.29Å; L115-L159 HydrophobicContact CD1-CD2 3.78Å; L159-F182 HydrophobicContact CB-CD1 4.27Å; L159-F182 HydrophobicContact CB-CE1 4.25Å; L159-F182 HydrophobicContact CD1-CD1 3.94Å; L159-F182 HydrophobicContact CD1-CD2 3.85Å; L159-F182 HydrophobicContact CD1-CE1 3.96Å; L159-F182 HydrophobicContact CD1-CE2 3.86Å; L159-F182 HydrophobicContact CD1-CG 3.89Å; L159-F182 HydrophobicContact CD1-CZ 3.93Å; L159-Y211 VanDerWaalsContact O-CA 3.28Å; L159-Y211 WeakPolarHBondContact O-CA 3.24Å; L159-Y211 VanDerWaalsContact O-CB 3.29Å; L159-Y211 WeakPolarHBondContact O-CB 3.46Å; L159-I212 HydrophobicContact CB-CD1 4.42Å; L159-I212 HydrophobicContact CB-CG1 3.91Å; L159-I212 HydrophobicContact CD2-CD1 4.23Å; L159-I212 HydrophobicContact CD2-CG1 4.48Å; L159-I212 PolarHBondContact N-O 2.89Å; L159-I212 PolarHBondContact O-N 3.47Å; L159-W214 HydrophobicContact CB-CH2 4.06Å; L159-W214 HydrophobicContact CB-CZ3 3.78Å; L159-W214 HydrophobicContact CD2-CH2 4.46Å
160L96.6Very high94.5Very high0 Ų044.2 Ų44.20%024%0.238CC..EExtended strand (participates in β ladder)trans-73.5129.2177.8-169.664.2000109.8S162 V165 I177 Y180 Q181 M183 C209L160-S162 WeakPolarHBondContact CD1-O 3.39Å; L160-V165 HydrophobicContact CD1-CG2 4Å; L160-V165 HydrophobicContact CD2-CG2 4.1Å; L160-I177 HydrophobicContact CD2-CG2 4.23Å; L160-I177 WeakPolarHBondContact CD2-O 3.4Å; L160-Y180 WeakPolarHBondContact O-CA 3.4Å; L160-Y180 PolarHBondContact O-N 2.87Å; L160-Q181 PolarHBondContact N-O 3.42Å; L160-M183 HydrophobicContact CB-CG 4.23Å; L160-M183 HydrophobicContact CB-SD 4.46Å; L160-M183 HydrophobicContact CD1-SD 4.29Å; L160-C209 HydrophobicContact CD1-CB 3.84Å
161L94.6Very high94.3Very high3 Ų345.3 Ų45.32%0.01625%0.249CC..EExtended strand (participates in β ladder)trans-99.3-40.7177.2-64179.7000112E107 L111 V137 P179 S210 I212E107-L161 HydrophobicContact CB-CD1 4.21Å; L111-L161 HydrophobicContact CB-CD2 4.3Å; L111-L161 HydrophobicContact CD1-CD2 4.11Å; L111-L161 HydrophobicContact CD2-CD2 4.19Å; L111-L161 HydrophobicContact CG-CD2 4.44Å; V137-L161 HydrophobicContact CG1-CD1 3.96Å; V137-L161 HydrophobicContact CG2-CD1 3.88Å; L161-P179 WeakPolarHBondContact O-CB 3.06Å; L161-S210 WeakPolarHBondContact CA-O 3.38Å; L161-S210 WeakPolarHBondContact CB-O 3.46Å; L161-S210 PolarHBondContact N-O 3.45Å; L161-I212 HydrophobicContact CD1-CG2 3.7Å; L161-I212 HydrophobicContact CD2-CD1 4.49Å; L161-I212 HydrophobicContact CD2-CG1 4.48Å; L161-I212 HydrophobicContact CG-CG2 4.29Å
162S94.7Very high94.1Very high44 Ų4444.7 Ų44.731%0.30825%0.246SC..EExtended strand (participates in β ladder)trans-146.5161.3177.577.30000111.7L160 C209 S210L160-S162 WeakPolarHBondContact CD1-O 3.39Å; S162-C209 VanDerWaalsContact O-CA 3.27Å; S162-C209 WeakPolarHBondContact O-CA 3.45Å; S162-C209 WeakPolarHBondContact O-CB 3.29Å; S162-S210 WeakPolarHBondContact CB-OG 3.33Å; S162-S210 PolarHBondContact N-O 3.44Å; S162-S210 VanDerWaalsContact N-O 3.14Å; S162-S210 PolarHBondContact N-OG 2.93Å; S162-S210 PolarHBondContact O-N 2.94Å; S162-S210 PolarHBondContact OG-N 3.19Å; S162-S210 PolarHBondContact OG-OG 3.3Å
163G94.8Very high93.9Very high24 Ų2447.8 Ų47.825%0.24726%0.257CS..SBendtrans87.2-161.7-18000000113.5P179 T207G163-P179 VanDerWaalsContact O-CD 3.31Å; G163-P179 WeakPolarHBondContact O-CD 3.42Å; G163-P179 WeakPolarHBondContact O-CG 3.42Å; G163-T207 WeakPolarHBondContact CA-OG1 3.48Å
164R96.3Very high93.7Very high72 Ų7246.1 Ų46.127%0.27224%0.244SC..  trans-144.2134.8180-158.5-175.4-37.2147.6-0.9111Y176 F178 E206 T207 C209R164-Y176 HydrophobicContact CG-CD1 3.95Å; R164-Y176 HydrophobicContact CG-CG 4.17Å; R164-F178 HydrophobicContact CG-CD1 4.16Å; R164-F178 HydrophobicContact CG-CE1 4.06Å; R164-E206 VanDerWaalsContact CD-OE2 3.25Å; R164-E206 WeakPolarHBondContact CD-OE2 3.33Å; R164-E206 IonicContact CZ-OE2 2.8Å; R164-E206 IonicContact NE-OE2 2.63Å; R164-E206 IonicContact NH1-OE1 3.87Å; R164-E206 PolarHBondContact NH1-OE1 3.27Å; R164-E206 IonicContact NH1-OE2 3.05Å; R164-E206 PolarHBondContact NH1-OE2 2.95Å; R164-E206 PolarHBondContact O-N 3.46Å; R164-T207 PolarHBondContact N-OG1 2.94Å; R164-T207 PolarHBondContact O-N 3.29Å; R164-C209 PolarHBondContact N-SG 2.97Å; R164-C209 PolarHBondContact O-SG 3.28Å; R164-C209 VanDerWaalsContact O-SG 3.41Å
165V97.6Very high93.7Very high0 Ų046.3 Ų46.30%025%0.245CC..EExtended strand (participates in β ladder)trans-114.6131.6178.3176.50000108.9L160 Y176 I177 M183 L203 T204L160-V165 HydrophobicContact CD1-CG2 4Å; L160-V165 HydrophobicContact CD2-CG2 4.1Å; V165-Y176 CarbonylContact O-C 3.57Å; V165-Y176 WeakPolarHBondContact O-CA 3.36Å; V165-I177 HydrophobicContact CB-CB 4.32Å; V165-I177 PolarHBondContact N-O 3.32Å; V165-I177 VanDerWaalsContact N-O 3.15Å; V165-I177 PolarHBondContact O-N 2.87Å; V165-M183 HydrophobicContact CB-CE 4.47Å; V165-M183 HydrophobicContact CG1-CE 4.1Å; V165-M183 HydrophobicContact CG2-CE 3.89Å; V165-L203 HydrophobicContact CG1-CB 3.97Å; V165-L203 HydrophobicContact CG1-CD2 4.26Å; V165-T204 CarbonylContact C-O 3.55Å; V165-T204 WeakPolarHBondContact CA-O 3.49Å; V165-T204 WeakPolarHBondContact CG1-O 3.45Å
166R95.9Very high93.8Very high79 Ų7946.8 Ų46.830%0.29824%0.242SC..EExtended strand (participates in β ladder)trans-88.9138.4170.468.9174-173-133.2-5.3109.9E143 F173 Y176 L203 T204E143-R166 IonicContact OE1-NH1 2.81Å; E143-R166 PolarHBondContact OE1-NH1 2.93Å; E143-R166 IonicContact OE2-CZ 3.28Å; E143-R166 VanDerWaalsContact OE2-CZ 3.28Å; E143-R166 IonicContact OE2-NH1 3.52Å; E143-R166 PolarHBondContact OE2-NH1 2.97Å; E143-R166 IonicContact OE2-NH2 3.91Å; E143-R166 PolarHBondContact OE2-NH2 3.4Å; R166-F173 HydrophobicContact CB-CD2 4.27Å; R166-F173 HydrophobicContact CB-CE2 4.11Å; R166-Y176 HydrophobicContact CB-CD1 3.99Å; R166-Y176 HydrophobicContact CB-CE1 3.76Å; R166-L203 WeakPolarHBondContact O-CA 3.29Å; R166-T204 WeakPolarHBondContact CG-O 3.41Å; R166-T204 PolarHBondContact N-O 2.97Å; R166-T204 PolarHBondContact O-N 3.13Å
167V95.4Very high93.9Very high5 Ų542.4 Ų42.43%0.0323%0.226CC..EExtended strand (participates in β ladder)trans-108.3131.4173.2-174.60000108.4L174 H175 I177 V201 T202 L203V167-L174 HydrophobicContact CB-CB 4.47Å; V167-L174 HydrophobicContact CG1-CB 4.41Å; V167-L174 PolarHBondContact O-N 3.05Å; V167-H175 PolarHBondContact N-O 3.49Å; V167-I177 HydrophobicContact CG2-CD1 3.56Å; V167-I177 HydrophobicContact CG2-CG1 3.67Å; V167-V201 HydrophobicContact CG1-CB 3.82Å; V167-V201 HydrophobicContact CG1-CG1 4.24Å; V167-V201 HydrophobicContact CG1-CG2 3.74Å; V167-T202 WeakPolarHBondContact CA-O 3.44Å; V167-L203 HydrophobicContact CG2-CD2 4.46Å; V167-L203 HydrophobicContact CG2-CG 4.4Å
168S93.8Very high93.9Very high17 Ų1747 Ų4712%0.11925%0.246CC..EExtended strand (participates in β ladder)trans-136.9146.1177.153.50000112.3Q172 T202S168-Q172 CarbonylContact C-O 3.46Å; S168-Q172 WeakPolarHBondContact CA-O 3.45Å; S168-Q172 WeakPolarHBondContact CB-O 3.17Å; S168-T202 PolarHBondContact N-O 2.91Å; S168-T202 PolarHBondContact O-N 3.35Å; S168-T202 PolarHBondContact OG-O 2.89Å
169Q92.6Very high93.9Very high80 Ų8049.3 Ų49.337%0.37426%0.261SS..EExtended strand (participates in β ladder)trans-125130.1174.8-172.3178.219.200107.8G171 Q172 L174 V201Q169-G171 PolarHBondContact O-N 3.49Å; Q169-G171 VanDerWaalsContact O-N 3.08Å; Q169-Q172 PolarHBondContact N-O 3.01Å; Q169-Q172 WeakPolarHBondContact O-CB 3.31Å; Q169-Q172 PolarHBondContact O-N 3.25Å; Q169-L174 HydrophobicContact CB-CD1 3.44Å; Q169-L174 VanDerWaalsContact CB-CD1 3.44Å; Q169-V201 HydrophobicContact CB-CG1 4.21Å
170D90.4Very high93.8Very high131 Ų13151 Ų5170%0.70127%0.268SS*.THydrogen-bonded Turntrans50.335.3-175.6-64.6-51.3000112.9E149 Q172E149-D170 PolarHBondContact OE2-N 3.27Å; D170-Q172 PolarHBondContact O-N 2.91Å
171G87.7Confident93.7Very high73 Ų7352.3 Ų52.375%0.75327%0.274SS*.THydrogen-bonded Turntrans74-2.7-176.100000115.8Q169Q169-G171 PolarHBondContact O-N 3.49Å; Q169-G171 VanDerWaalsContact O-N 3.08Å
172Q89.6Confident93.8Very high134 Ų13452.6 Ų52.663%0.62628%0.275SS*.EExtended strand (participates in β ladder)trans-86.4135.7174.3-60.9-166.95.400111.2S168 Q169 D170 L174S168-Q172 CarbonylContact C-O 3.46Å; S168-Q172 WeakPolarHBondContact CA-O 3.45Å; S168-Q172 WeakPolarHBondContact CB-O 3.17Å; Q169-Q172 PolarHBondContact N-O 3.01Å; Q169-Q172 WeakPolarHBondContact O-CB 3.31Å; Q169-Q172 PolarHBondContact O-N 3.25Å; D170-Q172 PolarHBondContact O-N 2.91Å; Q172-L174 WeakPolarHBondContact O-CD1 3.37Å; Q172-L174 PolarHBondContact O-N 3.05Å
173F91.1Very high93.8Very high95 Ų9550.7 Ų50.742%0.41726%0.261SS..EExtended strand (participates in β ladder)trans-72126.4177.5172.2-106.1000112.1R166 H175 Y176R166-F173 HydrophobicContact CB-CD2 4.27Å; R166-F173 HydrophobicContact CB-CE2 4.11Å; F173-H175 VanDerWaalsContact CE2-C 3.47Å; F173-H175 WeakPolarHBondContact CE2-O 3.48Å; F173-H175 VanDerWaalsContact CZ-C 3.49Å; F173-Y176 HydrophobicContact CE1-CE2 4.27Å; F173-Y176 AromaticContact CE2-CD1 3.88Å; F173-Y176 HydrophobicContact CE2-CD1 3.88Å; F173-Y176 HydrophobicContact CE2-CD2 4.14Å; F173-Y176 AromaticContact CE2-CE1 3.68Å; F173-Y176 HydrophobicContact CE2-CE1 3.68Å; F173-Y176 AromaticContact CE2-CE2 3.97Å; F173-Y176 HydrophobicContact CE2-CE2 3.97Å; F173-Y176 HydrophobicContact CE2-CG 4.08Å; F173-Y176 AromaticContact CE2-CZ 3.72Å; F173-Y176 HydrophobicContact CZ-CD1 4.14Å; F173-Y176 AromaticContact CZ-CD2 3.55Å; F173-Y176 HydrophobicContact CZ-CD2 3.55Å; F173-Y176 HydrophobicContact CZ-CE1 4.03Å; F173-Y176 AromaticContact CZ-CE2 3.43Å; F173-Y176 HydrophobicContact CZ-CE2 3.43Å; F173-Y176 VanDerWaalsContact CZ-CE2 3.43Å; F173-Y176 AromaticContact CZ-CG 3.89Å; F173-Y176 HydrophobicContact CZ-CG 3.89Å; F173-Y176 AromaticContact CZ-CZ 3.69Å
174L89.9Confident93.8Very high34 Ų3449.6 Ų49.618%0.17825%0.249CC..EExtended strand (participates in β ladder)trans-95.1-65.3176-85.678.1000111.5V167 Q169 Q172 L248 K251V167-L174 HydrophobicContact CB-CB 4.47Å; V167-L174 HydrophobicContact CG1-CB 4.41Å; V167-L174 PolarHBondContact O-N 3.05Å; Q169-L174 HydrophobicContact CB-CD1 3.44Å; Q169-L174 VanDerWaalsContact CB-CD1 3.44Å; Q172-L174 WeakPolarHBondContact O-CD1 3.37Å; Q172-L174 PolarHBondContact O-N 3.05Å; L174-L248 HydrophobicContact CB-CD2 4.18Å; L174-L248 HydrophobicContact CD2-CD2 4.29Å; L174-L248 HydrophobicContact CG-CD2 4.4Å; L174-K251 WeakPolarHBondContact O-CD 3.4Å; L174-K251 PolarHBondContact O-NZ 2.9Å
175H92.6Very high93.7Very high17 Ų1746.1 Ų46.18%0.07924%0.236CC..EExtended strand (participates in β ladder)trans-162.1169.3-176.665.8-73.6000111.8V167 F173 T247V167-H175 PolarHBondContact N-O 3.49Å; F173-H175 VanDerWaalsContact CE2-C 3.47Å; F173-H175 WeakPolarHBondContact CE2-O 3.48Å; F173-H175 VanDerWaalsContact CZ-C 3.49Å; H175-T247 HydrophobicContact CB-CG2 4.49Å
176Y94.6Very high93.5Very high78 Ų7848.5 Ų48.531%0.30625%0.252SS..EExtended strand (participates in β ladder)trans-96.9144171-69.6-63.5000110.1R164 V165 R166 F173 E206R164-Y176 HydrophobicContact CG-CD1 3.95Å; R164-Y176 HydrophobicContact CG-CG 4.17Å; V165-Y176 CarbonylContact O-C 3.57Å; V165-Y176 WeakPolarHBondContact O-CA 3.36Å; R166-Y176 HydrophobicContact CB-CD1 3.99Å; R166-Y176 HydrophobicContact CB-CE1 3.76Å; F173-Y176 HydrophobicContact CE1-CE2 4.27Å; F173-Y176 AromaticContact CE2-CD1 3.88Å; F173-Y176 HydrophobicContact CE2-CD1 3.88Å; F173-Y176 HydrophobicContact CE2-CD2 4.14Å; F173-Y176 AromaticContact CE2-CE1 3.68Å; F173-Y176 HydrophobicContact CE2-CE1 3.68Å; F173-Y176 AromaticContact CE2-CE2 3.97Å; F173-Y176 HydrophobicContact CE2-CE2 3.97Å; F173-Y176 HydrophobicContact CE2-CG 4.08Å; F173-Y176 AromaticContact CE2-CZ 3.72Å; F173-Y176 HydrophobicContact CZ-CD1 4.14Å; F173-Y176 AromaticContact CZ-CD2 3.55Å; F173-Y176 HydrophobicContact CZ-CD2 3.55Å; F173-Y176 HydrophobicContact CZ-CE1 4.03Å; F173-Y176 AromaticContact CZ-CE2 3.43Å; F173-Y176 HydrophobicContact CZ-CE2 3.43Å; F173-Y176 VanDerWaalsContact CZ-CE2 3.43Å; F173-Y176 AromaticContact CZ-CG 3.89Å; F173-Y176 HydrophobicContact CZ-CG 3.89Å; F173-Y176 AromaticContact CZ-CZ 3.69Å; Y176-E206 WeakPolarHBondContact CE1-OE2 3.34Å
177I96.4Very high93.3Very high2 Ų245.8 Ų45.81%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-102.4128.9168.1-55.2-178.3000107.4L160 V165 V167 Q181 M183 L203L160-I177 HydrophobicContact CD2-CG2 4.23Å; L160-I177 WeakPolarHBondContact CD2-O 3.4Å; V165-I177 HydrophobicContact CB-CB 4.32Å; V165-I177 PolarHBondContact N-O 3.32Å; V165-I177 VanDerWaalsContact N-O 3.15Å; V165-I177 PolarHBondContact O-N 2.87Å; V167-I177 HydrophobicContact CG2-CD1 3.56Å; V167-I177 HydrophobicContact CG2-CG1 3.67Å; I177-Q181 HydrophobicContact CG2-CB 3.82Å; I177-M183 WeakPolarHBondContact CD1-O 3.4Å; I177-L203 HydrophobicContact CD1-CD2 3.87Å
178F95.3Very high93.1Very high98 Ų9845.9 Ų45.943%0.4324%0.242SC..  trans-105.5165.6-176-68.7-75.1000112R164 Y180 Q181R164-F178 HydrophobicContact CG-CD1 4.16Å; R164-F178 HydrophobicContact CG-CE1 4.06Å; F178-Y180 PolarHBondContact O-N 3.4Å; F178-Q181 VanDerWaalsContact O-CB 3.31Å; F178-Q181 WeakPolarHBondContact O-CB 3.43Å; F178-Q181 PolarHBondContact O-N 2.92Å; F178-Q181 VanDerWaalsContact O-N 3.17Å
179P95.3Very high93Very high47 Ų4750.1 Ų50.131%0.30526%0.26SS..THydrogen-bonded Turntrans-51.6140.9176.8-30.639.3000112.9L161 G163 Q181L161-P179 WeakPolarHBondContact O-CB 3.06Å; G163-P179 VanDerWaalsContact O-CD 3.31Å; G163-P179 WeakPolarHBondContact O-CD 3.42Å; G163-P179 WeakPolarHBondContact O-CG 3.42Å; P179-Q181 VanDerWaalsContact C-N 3.27Å; P179-Q181 PolarHBondContact O-N 2.91Å
180Y94.2Very high92.7Very high39 Ų3949.8 Ų49.815%0.15327%0.267CS..THydrogen-bonded Turntrans65.221.5-175.5-43.7-75.6000115.4L110 L111 T114 L160 F178L110-Y180 WeakPolarHBondContact CD2-OH 3.49Å; L110-Y180 VanDerWaalsContact CG-OH 3.22Å; L110-Y180 WeakPolarHBondContact CG-OH 3.4Å; L111-Y180 HydrophobicContact CD1-CD1 3.99Å; L111-Y180 HydrophobicContact CD1-CE1 4.41Å; T114-Y180 HydrophobicContact CG2-CD1 3.74Å; T114-Y180 HydrophobicContact CG2-CD2 3.69Å; T114-Y180 HydrophobicContact CG2-CE1 4.06Å; T114-Y180 HydrophobicContact CG2-CE2 4Å; T114-Y180 HydrophobicContact CG2-CG 3.55Å; L160-Y180 WeakPolarHBondContact O-CA 3.4Å; L160-Y180 PolarHBondContact O-N 2.87Å; F178-Y180 PolarHBondContact O-N 3.4Å
181Q95.3Very high92.5Very high27 Ų2744.7 Ų44.713%0.12624%0.239CC..SBendtrans-108.4151.8167.8-64.4179.3-20.100110.5L160 I177 F178 P179 D240 E243L160-Q181 PolarHBondContact N-O 3.42Å; I177-Q181 HydrophobicContact CG2-CB 3.82Å; F178-Q181 VanDerWaalsContact O-CB 3.31Å; F178-Q181 WeakPolarHBondContact O-CB 3.43Å; F178-Q181 PolarHBondContact O-N 2.92Å; F178-Q181 VanDerWaalsContact O-N 3.17Å; P179-Q181 VanDerWaalsContact C-N 3.27Å; P179-Q181 PolarHBondContact O-N 2.91Å; Q181-D240 WeakPolarHBondContact CA-OD1 3.26Å; Q181-D240 WeakPolarHBondContact CB-OD1 3.46Å; Q181-E243 PolarHBondContact NE2-OE1 3.35Å
182F96.8Very high92.2Very high9 Ų947.3 Ų47.34%0.03923%0.232CC..BIsolated β-bridgetrans-73.8144.7176.5-74.7-85.1000109.9L157 S158 L159 W214 F233 L236 L237 D240 K244L157-F182 HydrophobicContact CD1-CD1 3.81Å; L157-F182 HydrophobicContact CD1-CE1 4.29Å; L157-F182 HydrophobicContact CD2-CD1 4.13Å; L157-F182 HydrophobicContact CD2-CE1 3.74Å; L157-F182 HydrophobicContact CG-CD1 3.88Å; L157-F182 HydrophobicContact CG-CE1 3.96Å; S158-F182 WeakPolarHBondContact O-CA 3.34Å; L159-F182 HydrophobicContact CB-CD1 4.27Å; L159-F182 HydrophobicContact CB-CE1 4.25Å; L159-F182 HydrophobicContact CD1-CD1 3.94Å; L159-F182 HydrophobicContact CD1-CD2 3.85Å; L159-F182 HydrophobicContact CD1-CE1 3.96Å; L159-F182 HydrophobicContact CD1-CE2 3.86Å; L159-F182 HydrophobicContact CD1-CG 3.89Å; L159-F182 HydrophobicContact CD1-CZ 3.93Å; F182-W214 HydrophobicContact CE1-CZ3 4.1Å; F182-F233 HydrophobicContact CZ-CE1 4.49Å; F182-L236 HydrophobicContact CE2-CB 4.06Å; F182-L237 HydrophobicContact CD1-CD2 4.15Å; F182-L237 HydrophobicContact CD2-CD2 4.13Å; F182-L237 HydrophobicContact CE1-CD2 4.28Å; F182-L237 HydrophobicContact CE2-CD2 4.26Å; F182-L237 HydrophobicContact CG-CD2 4.07Å; F182-L237 HydrophobicContact CZ-CD2 4.33Å; F182-D240 HydrophobicContact CD2-CB 4.07Å; F182-D240 PolarHBondContact N-OD1 3.08Å; F182-K244 WeakPolarHBondContact O-CE 3.48Å; F182-K244 PolarHBondContact O-NZ 3.21Å
183M95.3Very high91.7Very high3 Ų345.2 Ų45.22%0.01523%0.23CC..SBendtrans-83-40.9177.8-65.5-176.76200111.1Y146 S158 L160 V165 I177 L203 Y211Y146-M183 HydrophobicContact CD1-CE 3.66Å; Y146-M183 HydrophobicContact CD2-CE 3.83Å; Y146-M183 HydrophobicContact CE1-CB 4.4Å; Y146-M183 HydrophobicContact CE1-CE 4.22Å; Y146-M183 HydrophobicContact CE2-CE 4.38Å; Y146-M183 HydrophobicContact CG-CE 3.44Å; Y146-M183 VanDerWaalsContact CG-CE 3.44Å; S158-M183 PolarHBondContact O-N 3Å; L160-M183 HydrophobicContact CB-CG 4.23Å; L160-M183 HydrophobicContact CB-SD 4.46Å; L160-M183 HydrophobicContact CD1-SD 4.29Å; V165-M183 HydrophobicContact CB-CE 4.47Å; V165-M183 HydrophobicContact CG1-CE 4.1Å; V165-M183 HydrophobicContact CG2-CE 3.89Å; I177-M183 WeakPolarHBondContact CD1-O 3.4Å; M183-L203 HydrophobicContact CB-CD2 4.05Å; M183-L203 HydrophobicContact CE-CD2 4.15Å; M183-L203 WeakPolarHBondContact O-CD2 3.47Å; M183-Y211 HydrophobicContact SD-CD2 4.47Å; M183-Y211 HydrophobicContact SD-CG 4.27Å
184D94.2Very high91.1Very high1 Ų146 Ų461%0.00525%0.247CC..SBendtrans-128.529.9-165.249.93.4000112.4Y146 L157 S158 E187 W188 F199Y146-D184 PolarHBondContact OH-OD2 3.06Å; L157-D184 WeakPolarHBondContact CA-OD1 3.35Å; L157-D184 WeakPolarHBondContact CD1-OD1 3.37Å; S158-D184 PolarHBondContact N-OD1 3.22Å; S158-D184 PolarHBondContact N-OD2 2.91Å; D184-E187 VanDerWaalsContact CA-OE2 3.23Å; D184-E187 WeakPolarHBondContact CA-OE2 3.46Å; D184-E187 HydrophobicContact CB-CB 4.47Å; D184-E187 PolarHBondContact O-N 3.45Å; D184-W188 VanDerWaalsContact O-CB 3.27Å; D184-W188 WeakPolarHBondContact O-CB 3.3Å; D184-W188 PolarHBondContact O-N 3.2Å; D184-F199 HydrophobicContact CB-CE1 3.63Å; D184-F199 HydrophobicContact CB-CZ 3.61Å
185S94.6Very high90.9Very high0 Ų049 Ų490%026%0.26CS..Hα-helixtrans-63.5-41.8178.647.40000114.2W188 E189 D240 K244S185-W188 PolarHBondContact O-N 3.23Å; S185-E189 PolarHBondContact O-N 2.9Å; S185-D240 PolarHBondContact OG-OD2 2.93Å; S185-K244 PolarHBondContact OG-NZ 2.95Å
186P92Very high90.7Very high50 Ų5057.1 Ų57.133%0.32530%0.298SS..Hα-helixtrans-64.4-42.8174.2-2033.7000112.2W188 E189 S190 K244P186-W188 VanDerWaalsContact C-N 3.32Å; P186-W188 PolarHBondContact O-N 3.18Å; P186-E189 PolarHBondContact O-N 3.16Å; P186-S190 VanDerWaalsContact O-CB 3.29Å; P186-S190 WeakPolarHBondContact O-CB 3.27Å; P186-S190 PolarHBondContact O-N 3.24Å; P186-S190 PolarHBondContact O-OG 3.39Å; P186-K244 HydrophobicContact CG-CD 4.27Å
187E92.1Very high90.4Very high21 Ų2154.4 Ų54.410%0.09829%0.294CS..Hα-helixtrans-62.9-41.9179.7-67.975-163.500110.7I154 D184 S190 F199 V201I154-E187 HydrophobicContact CD1-CB 3.75Å; I154-E187 HydrophobicContact CD1-CG 4.11Å; I154-E187 HydrophobicContact CG1-CB 4.04Å; I154-E187 HydrophobicContact CG1-CG 4.46Å; I154-E187 HydrophobicContact CG2-CB 4.08Å; D184-E187 VanDerWaalsContact CA-OE2 3.23Å; D184-E187 WeakPolarHBondContact CA-OE2 3.46Å; D184-E187 HydrophobicContact CB-CB 4.47Å; D184-E187 PolarHBondContact O-N 3.45Å; E187-S190 PolarHBondContact O-N 3.41Å; E187-S190 PolarHBondContact O-OG 3.06Å; E187-F199 HydrophobicContact CB-CE1 4.37Å; E187-F199 HydrophobicContact CG-CD1 3.78Å; E187-F199 HydrophobicContact CG-CE1 3.9Å; E187-F199 HydrophobicContact CG-CG 4.4Å; E187-V201 WeakPolarHBondContact OE1-CG2 3.12Å
188W91.1Very high90.3Very high8 Ų857.6 Ų57.63%0.0331%0.314CS..Hα-helixtrans-58.6-51176.8174.9-92000113.1L157 D184 S185 P186 S190 R216 L219 H220 L223L157-W188 HydrophobicContact CB-CD2 4.14Å; L157-W188 HydrophobicContact CB-CE3 3.7Å; L157-W188 HydrophobicContact CB-CZ3 4.02Å; L157-W188 HydrophobicContact CD1-CB 3.76Å; L157-W188 HydrophobicContact CD1-CD2 4.24Å; L157-W188 HydrophobicContact CD1-CE3 4.49Å; L157-W188 HydrophobicContact CD1-CG 3.9Å; D184-W188 VanDerWaalsContact O-CB 3.27Å; D184-W188 WeakPolarHBondContact O-CB 3.3Å; D184-W188 PolarHBondContact O-N 3.2Å; S185-W188 PolarHBondContact O-N 3.23Å; P186-W188 VanDerWaalsContact C-N 3.32Å; P186-W188 PolarHBondContact O-N 3.18Å; W188-S190 VanDerWaalsContact C-N 3.34Å; W188-R216 HydrophobicContact CE3-CG 4.31Å; W188-R216 VanDerWaalsContact CE3-NH1 3.33Å; W188-R216 HydrophobicContact CH2-CB 4.1Å; W188-R216 HydrophobicContact CH2-CG 3.74Å; W188-R216 HydrophobicContact CZ3-CB 3.57Å; W188-R216 HydrophobicContact CZ3-CG 3.42Å; W188-R216 VanDerWaalsContact CZ3-CG 3.42Å; W188-R216 PolarHBondContact O-NH1 3.23Å; W188-R216 VanDerWaalsContact O-NH1 3.13Å; W188-L219 HydrophobicContact CH2-CB 4.1Å; W188-L219 HydrophobicContact CH2-CD2 3.84Å; W188-L219 HydrophobicContact CH2-CG 4.25Å; W188-L219 HydrophobicContact CZ2-CD2 3.95Å; W188-L219 HydrophobicContact CZ2-CG 4.39Å; W188-L219 HydrophobicContact CZ3-CD2 4.38Å; W188-H220 AromaticContact CH2-CD2 3.57Å; W188-H220 AromaticContact CH2-CE1 3.98Å; W188-H220 AromaticContact CH2-NE2 3.48Å; W188-H220 WeakPolarHBondContact CH2-NE2 3.42Å; W188-H220 AromaticContact CZ2-CD2 3.8Å; W188-H220 AromaticContact CZ2-CE1 3.4Å; W188-H220 WeakPolarHBondContact CZ2-CE1 3.37Å; W188-H220 AromaticContact CZ2-ND1 3.88Å; W188-H220 AromaticContact CZ2-NE2 3.36Å; W188-H220 WeakPolarHBondContact CZ2-NE2 3.06Å; W188-L223 HydrophobicContact CZ2-CD1 4.34Å
189E91.2Very high90.2Very high105 Ų10553 Ų5349%0.49129%0.294SS..Hα-helixtrans-74.3-23.5-177.6-73.2-63.9128.400112.8S185 P186 L191 L237 I241S185-E189 PolarHBondContact O-N 2.9Å; P186-E189 PolarHBondContact O-N 3.16Å; E189-L191 VanDerWaalsContact C-N 3.29Å; E189-L191 PolarHBondContact O-N 3.42Å; E189-L237 WeakPolarHBondContact OE1-CD1 3.18Å; E189-I241 HydrophobicContact CB-CD1 3.99Å; E189-I241 HydrophobicContact CG-CD1 3.53Å
190S86.6Confident90.1Very high74 Ų7457 Ų5752%0.51731%0.308SS..Hα-helixtrans-69.6-25.2-179.7710000114P186 E187 W188P186-S190 VanDerWaalsContact O-CB 3.29Å; P186-S190 WeakPolarHBondContact O-CB 3.27Å; P186-S190 PolarHBondContact O-N 3.24Å; P186-S190 PolarHBondContact O-OG 3.39Å; E187-S190 PolarHBondContact O-N 3.41Å; E187-S190 PolarHBondContact O-OG 3.06Å; W188-S190 VanDerWaalsContact C-N 3.34Å
191L87.4Confident90.1Very high23 Ų2355.9 Ų55.912%0.1231%0.305CS..SBendtrans-106.7140.2-174.4-68.8177.9000111.8I154 E189 E195 R216I154-L191 HydrophobicContact CB-CD1 3.59Å; I154-L191 HydrophobicContact CD1-CD1 3.59Å; I154-L191 HydrophobicContact CD1-CG 4.29Å; I154-L191 HydrophobicContact CG1-CD1 4.17Å; I154-L191 HydrophobicContact CG2-CD1 3.78Å; E189-L191 VanDerWaalsContact C-N 3.29Å; E189-L191 PolarHBondContact O-N 3.42Å; L191-E195 HydrophobicContact CD2-CB 4.4Å; L191-E195 HydrophobicContact CD2-CG 3.98Å; L191-R216 VanDerWaalsContact C-NH2 3.33Å; L191-R216 VanDerWaalsContact CB-NH2 3.25Å; L191-R216 PolarHBondContact O-NH2 2.89Å
192Q81.4Confident90.2Very high129 Ų12955.9 Ų55.960%0.60331%0.307SS*.  trans-68.9157.7167.2-63.9-167.832.100111.5S194 E195 R216Q192-S194 PolarHBondContact O-N 3.03Å; Q192-S194 VanDerWaalsContact O-N 3.11Å; Q192-E195 HydrophobicContact CB-CB 4.17Å; Q192-E195 PolarHBondContact N-OE2 3.38Å; Q192-E195 PolarHBondContact O-N 3.15Å; Q192-R216 VanDerWaalsContact C-NH2 3.35Å; Q192-R216 PolarHBondContact O-NH2 2.87Å
193P78.8Confident90.2Very high89 Ų8955.5 Ų55.558%0.57831%0.305SS*.THydrogen-bonded Turntrans-58.3-27.3-178.3-26.234.5000114.9
194S78.1Confident90.3Very high111 Ų11155.6 Ų55.678%0.77631%0.306SS*.THydrogen-bonded Turntrans-94.7-4.7178.956.30000114.3Q192Q192-S194 PolarHBondContact O-N 3.03Å; Q192-S194 VanDerWaalsContact O-N 3.11Å
195E86.7Confident90.5Very high97 Ų9755.6 Ų55.645%0.45331%0.306SS..  trans-94.9139.5-175-166.6174.6-174.400110.4L191 Q192L191-E195 HydrophobicContact CD2-CB 4.4Å; L191-E195 HydrophobicContact CD2-CG 3.98Å; Q192-E195 HydrophobicContact CB-CB 4.17Å; Q192-E195 PolarHBondContact N-OE2 3.38Å; Q192-E195 PolarHBondContact O-N 3.15Å
196E87.4Confident90.5Very high188 Ų18858.3 Ų58.388%0.87932%0.319SS*.  trans-100.8137.5173.1-65.5-177.2175.300108.7
197G89.1Confident90.7Very high22 Ų2258.2 Ų58.223%0.22732%0.318CS..  trans-149.2168.1176.500000110.9P153 I154P153-G197 WeakPolarHBondContact CA-O 3.13Å; I154-G197 PolarHBondContact N-O 2.84Å
198V93.6Very high90.9Very high69 Ų6961.2 Ų61.242%0.41834%0.341SS..BIsolated β-bridgetrans-114.1154178-660000110.2T152 I154 Q200T152-V198 CarbonylContact O-C 3.59Å; T152-V198 VanDerWaalsContact O-CA 3.24Å; T152-V198 WeakPolarHBondContact O-CA 3.39Å; I154-V198 VanDerWaalsContact CD1-O 3.28Å; I154-V198 WeakPolarHBondContact CD1-O 3.37Å; V198-Q200 PolarHBondContact O-N 3.48Å
199F93.8Very high91.1Very high1 Ų160.9 Ų60.90%0.00434%0.34CS..  trans-59133.7174.7-85-99.9000110.3Y146 A147 E149 G150 T152 I154 D184 E187 L203Y146-F199 HydrophobicContact CE1-CE1 4.18Å; Y146-F199 AromaticContact CE1-CZ 3.93Å; Y146-F199 HydrophobicContact CE1-CZ 3.93Å; A147-F199 HydrophobicContact CB-CB 4.18Å; A147-F199 HydrophobicContact CB-CD1 3.61Å; A147-F199 HydrophobicContact CB-CD2 3.87Å; A147-F199 HydrophobicContact CB-CE1 3.9Å; A147-F199 HydrophobicContact CB-CE2 4.13Å; A147-F199 HydrophobicContact CB-CG 3.6Å; A147-F199 HydrophobicContact CB-CZ 4.15Å; E149-F199 CarbonylContact C-O 3.51Å; E149-F199 WeakPolarHBondContact CA-O 3.48Å; G150-F199 PolarHBondContact N-O 3.21Å; T152-F199 HydrophobicContact CG2-CD2 3.78Å; T152-F199 HydrophobicContact CG2-CE2 4.02Å; T152-F199 WeakPolarHBondContact O-CD2 3.47Å; T152-F199 PolarHBondContact O-N 3.41Å; I154-F199 HydrophobicContact CB-CE2 4.45Å; I154-F199 HydrophobicContact CG1-CD2 3.74Å; I154-F199 HydrophobicContact CG1-CE2 3.91Å; I154-F199 HydrophobicContact CG1-CG 4.33Å; D184-F199 HydrophobicContact CB-CE1 3.63Å; D184-F199 HydrophobicContact CB-CZ 3.61Å; E187-F199 HydrophobicContact CB-CE1 4.37Å; E187-F199 HydrophobicContact CG-CD1 3.78Å; E187-F199 HydrophobicContact CG-CE1 3.9Å; E187-F199 HydrophobicContact CG-CG 4.4Å; F199-L203 HydrophobicContact CD1-CD1 3.68Å; F199-L203 HydrophobicContact CE1-CD1 3.84Å
200Q93.3Very high91.3Very high131 Ų13156.4 Ų56.461%0.61232%0.32SS*.SBendtrans-93.6-1.5176.6-62.3-179.314.600112.6V198V198-Q200 PolarHBondContact O-N 3.48Å
201V94.1Very high91.7Very high16 Ų1654.2 Ų54.210%0.09730%0.301CS..SBendtrans-137.8151.5179.1-62.50000109.3V167 Q169 E187 L203V167-V201 HydrophobicContact CG1-CB 3.82Å; V167-V201 HydrophobicContact CG1-CG1 4.24Å; V167-V201 HydrophobicContact CG1-CG2 3.74Å; Q169-V201 HydrophobicContact CB-CG1 4.21Å; E187-V201 WeakPolarHBondContact OE1-CG2 3.12Å; V201-L203 HydrophobicContact CG2-CD1 3.83Å
202T96.4Very high92.1Very high26 Ų2653.1 Ų53.116%0.1630%0.295CS..EExtended strand (participates in β ladder)trans-91.2128.3171.7-61.90000109.5T145 A147 E149 V167 S168T145-T202 HydrophobicContact CG2-CG2 4.31Å; A147-T202 CarbonylContact O-C 3.52Å; A147-T202 WeakPolarHBondContact O-CA 3.5Å; A147-T202 WeakPolarHBondContact O-CG2 3.23Å; E149-T202 WeakPolarHBondContact CB-OG1 3.41Å; E149-T202 PolarHBondContact N-OG1 2.97Å; E149-T202 VanDerWaalsContact N-OG1 3.1Å; V167-T202 WeakPolarHBondContact CA-O 3.44Å; S168-T202 PolarHBondContact N-O 2.91Å; S168-T202 PolarHBondContact O-N 3.35Å; S168-T202 PolarHBondContact OG-O 2.89Å
203L97.2Very high92.7Very high1 Ų147.7 Ų47.71%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-109.1120.1175.4-69.194.9000109.3T145 Y146 A147 V165 R166 V167 I177 M183 F199 V201T145-L203 CarbonylContact C-O 3.54Å; T145-L203 WeakPolarHBondContact CA-O 3.31Å; Y146-L203 HydrophobicContact CD1-CB 4.1Å; Y146-L203 HydrophobicContact CD1-CD1 4.4Å; Y146-L203 HydrophobicContact CD1-CD2 4.15Å; Y146-L203 HydrophobicContact CD1-CG 4.46Å; Y146-L203 PolarHBondContact N-O 3.35Å; A147-L203 HydrophobicContact CB-CD1 3.87Å; A147-L203 PolarHBondContact O-N 3.45Å; V165-L203 HydrophobicContact CG1-CB 3.97Å; V165-L203 HydrophobicContact CG1-CD2 4.26Å; R166-L203 WeakPolarHBondContact O-CA 3.29Å; V167-L203 HydrophobicContact CG2-CD2 4.46Å; V167-L203 HydrophobicContact CG2-CG 4.4Å; I177-L203 HydrophobicContact CD1-CD2 3.87Å; M183-L203 HydrophobicContact CB-CD2 4.05Å; M183-L203 HydrophobicContact CE-CD2 4.15Å; M183-L203 WeakPolarHBondContact O-CD2 3.47Å; F199-L203 HydrophobicContact CD1-CD1 3.68Å; F199-L203 HydrophobicContact CE1-CD1 3.84Å; V201-L203 HydrophobicContact CG2-CD1 3.83Å
204T97.2Very high93.5Very high6 Ų643.9 Ų43.94%0.03725%0.245CC..EExtended strand (participates in β ladder)trans-124.1135.4179.2-39.80000111.1E143 T145 V165 R166 E206E143-T204 WeakPolarHBondContact O-CG2 3.48Å; T145-T204 HydrophobicContact CG2-CG2 4.09Å; V165-T204 CarbonylContact C-O 3.55Å; V165-T204 WeakPolarHBondContact CA-O 3.49Å; V165-T204 WeakPolarHBondContact CG1-O 3.45Å; R166-T204 WeakPolarHBondContact CG-O 3.41Å; R166-T204 PolarHBondContact N-O 2.97Å; R166-T204 PolarHBondContact O-N 3.13Å; T204-E206 PolarHBondContact O-N 2.94Å
205A97.5Very high94.3Very high0 Ų040.6 Ų40.60%022%0.221CC..EExtended strand (participates in β ladder)trans-66.2121.2170.800000110.6L140 A141 E143 Q144 T207L140-A205 HydrophobicContact CB-CB 4.41Å; L140-A205 HydrophobicContact CD2-CB 3.53Å; L140-A205 HydrophobicContact CG-CB 3.72Å; A141-A205 WeakPolarHBondContact O-CB 3.4Å; E143-A205 VanDerWaalsContact CA-O 3.3Å; E143-A205 WeakPolarHBondContact CA-O 3.38Å; E143-A205 PolarHBondContact N-O 2.98Å; Q144-A205 PolarHBondContact O-N 3.41Å; A205-T207 WeakPolarHBondContact CB-O 3.45Å
206E95.4Very high94.6Very high57 Ų5736.7 Ų36.727%0.26620%0.202SC..SBendtrans-82.3-28.3169.8-169.5-171.8-175.700110.6T142 R164 Y176 T204T142-E206 WeakPolarHBondContact CG2-O 3.41Å; R164-E206 VanDerWaalsContact CD-OE2 3.25Å; R164-E206 WeakPolarHBondContact CD-OE2 3.33Å; R164-E206 IonicContact CZ-OE2 2.8Å; R164-E206 IonicContact NE-OE2 2.63Å; R164-E206 IonicContact NH1-OE1 3.87Å; R164-E206 PolarHBondContact NH1-OE1 3.27Å; R164-E206 IonicContact NH1-OE2 3.05Å; R164-E206 PolarHBondContact NH1-OE2 2.95Å; R164-E206 PolarHBondContact O-N 3.46Å; Y176-E206 WeakPolarHBondContact CE1-OE2 3.34Å; T204-E206 PolarHBondContact O-N 2.94Å
207T96.4Very high94.8Very high49 Ų4936.8 Ų36.830%0.30120%0.2SC..SBendtrans-128.2171174.868.50000110.3G163 R164 A205 C209G163-T207 WeakPolarHBondContact CA-OG1 3.48Å; R164-T207 PolarHBondContact N-OG1 2.94Å; R164-T207 PolarHBondContact O-N 3.29Å; A205-T207 WeakPolarHBondContact CB-O 3.45Å; T207-C209 PolarHBondContact O-N 3.09Å; T207-C209 PolarHBondContact O-SG 3.27Å
208S95.9Very high94.9Very high83 Ų8338.5 Ų38.558%0.5821%0.209SC*.  trans-54.9125.6163.1-175.90000108.9T142T142-S208 PolarHBondContact OG1-N 3.1Å
209C96Very high95Very high2 Ų235.2 Ų35.21%0.01419%0.189CC..EExtended strand (participates in β ladder)trans-123.5148.8-176.9-63.10000110.9T139 L140 L160 S162 R164 T207T139-C209 WeakPolarHBondContact CA-O 3.42Å; L140-C209 HydrophobicContact CB-CB 4.18Å; L140-C209 PolarHBondContact N-O 3.28Å; L140-C209 PolarHBondContact O-N 3.12Å; L160-C209 HydrophobicContact CD1-CB 3.84Å; S162-C209 VanDerWaalsContact O-CA 3.27Å; S162-C209 WeakPolarHBondContact O-CA 3.45Å; S162-C209 WeakPolarHBondContact O-CB 3.29Å; R164-C209 PolarHBondContact N-SG 2.97Å; R164-C209 PolarHBondContact O-SG 3.28Å; R164-C209 VanDerWaalsContact O-SG 3.41Å; T207-C209 PolarHBondContact O-N 3.09Å; T207-C209 PolarHBondContact O-SG 3.27Å
210S94.9Very high95Very high10 Ų1037.1 Ų37.17%0.0720%0.198CC..EExtended strand (participates in β ladder)trans-118.4141.6165.462.40000109.3L138 L161 S162L138-S210 CarbonylContact O-C 3.55Å; L138-S210 VanDerWaalsContact O-CA 3.31Å; L138-S210 WeakPolarHBondContact O-CA 3.34Å; L161-S210 WeakPolarHBondContact CA-O 3.38Å; L161-S210 WeakPolarHBondContact CB-O 3.46Å; L161-S210 PolarHBondContact N-O 3.45Å; S162-S210 WeakPolarHBondContact CB-OG 3.33Å; S162-S210 PolarHBondContact N-O 3.44Å; S162-S210 VanDerWaalsContact N-O 3.14Å; S162-S210 PolarHBondContact N-OG 2.93Å; S162-S210 PolarHBondContact O-N 2.94Å; S162-S210 PolarHBondContact OG-N 3.19Å; S162-S210 PolarHBondContact OG-OG 3.3Å
211Y95.3Very high95Very high29 Ų2936.4 Ų36.411%0.11420%0.197CC..EExtended strand (participates in β ladder)trans-150.2159.3-178.770.9-83000111.3L138 L140 Y146 L159 M183L138-Y211 HydrophobicContact CB-CD1 4.02Å; L138-Y211 HydrophobicContact CB-CD2 4.27Å; L138-Y211 HydrophobicContact CB-CE1 3.56Å; L138-Y211 HydrophobicContact CB-CE2 3.86Å; L138-Y211 HydrophobicContact CB-CG 4.35Å; L138-Y211 VanDerWaalsContact CB-CZ 3.49Å; L138-Y211 HydrophobicContact CD1-CD2 4.41Å; L138-Y211 HydrophobicContact CD1-CE2 3.58Å; L138-Y211 HydrophobicContact CG-CE2 4.33Å; L138-Y211 PolarHBondContact N-O 3.33Å; L138-Y211 PolarHBondContact O-N 3.48Å; L140-Y211 HydrophobicContact CB-CD1 4.45Å; L140-Y211 HydrophobicContact CB-CE1 4.17Å; Y146-Y211 HydrophobicContact CD2-CE2 4.12Å; Y146-Y211 AromaticContact CD2-CZ 3.98Å; Y146-Y211 HydrophobicContact CE2-CD2 4.42Å; Y146-Y211 AromaticContact CE2-CE2 3.73Å; Y146-Y211 HydrophobicContact CE2-CE2 3.73Å; L159-Y211 VanDerWaalsContact O-CA 3.28Å; L159-Y211 WeakPolarHBondContact O-CA 3.24Å; L159-Y211 VanDerWaalsContact O-CB 3.29Å; L159-Y211 WeakPolarHBondContact O-CB 3.46Å; M183-Y211 HydrophobicContact SD-CD2 4.47Å; M183-Y211 HydrophobicContact SD-CG 4.27Å
212I95.4Very high95Very high0 Ų036.4 Ų36.40%020%0.197CC..EExtended strand (participates in β ladder)trans-110.9151.3170.357.3177.4000109.5F108 L111 V137 S158 L159 L161 W214F108-I212 HydrophobicContact CE1-CG2 3.88Å; F108-I212 HydrophobicContact CZ-CG2 4.11Å; L111-I212 HydrophobicContact CD2-CD1 3.44Å; L111-I212 VanDerWaalsContact CD2-CD1 3.44Å; V137-I212 HydrophobicContact CG2-CG2 4.04Å; S158-I212 CarbonylContact C-O 3.54Å; S158-I212 WeakPolarHBondContact CA-O 3.1Å; S158-I212 WeakPolarHBondContact CB-O 3.24Å; L159-I212 HydrophobicContact CB-CD1 4.42Å; L159-I212 HydrophobicContact CB-CG1 3.91Å; L159-I212 HydrophobicContact CD2-CD1 4.23Å; L159-I212 HydrophobicContact CD2-CG1 4.48Å; L159-I212 PolarHBondContact N-O 2.89Å; L159-I212 PolarHBondContact O-N 3.47Å; L161-I212 HydrophobicContact CD1-CG2 3.7Å; L161-I212 HydrophobicContact CD2-CD1 4.49Å; L161-I212 HydrophobicContact CD2-CG1 4.48Å; L161-I212 HydrophobicContact CG-CG2 4.29Å; I212-W214 HydrophobicContact CD1-CH2 3.23Å; I212-W214 HydrophobicContact CD1-CZ2 3.49Å; I212-W214 VanDerWaalsContact CD1-CZ2 3.49Å; I212-W214 HydrophobicContact CD1-CZ3 4.03Å; I212-W214 HydrophobicContact CG1-CH2 3.69Å; I212-W214 HydrophobicContact CG1-CZ2 4.24Å; I212-W214 HydrophobicContact CG1-CZ3 3.98Å
213S95Very high94.9Very high15 Ų1536.2 Ų36.211%0.10520%0.195CC..EExtended strand (participates in β ladder)trans-137.7135.8-177.8-161.70000111C133 R156 L157 S158C133-S213 VanDerWaalsContact CB-O 3.31Å; C133-S213 WeakPolarHBondContact CB-O 3.17Å; R156-S213 VanDerWaalsContact CD-OG 3.3Å; R156-S213 WeakPolarHBondContact CD-OG 3.37Å; L157-S213 CarbonylContact O-C 3.49Å; L157-S213 WeakPolarHBondContact O-CA 3.41Å; L157-S213 PolarHBondContact O-OG 3.4Å; S158-S213 VanDerWaalsContact OG-CB 3.31Å; S158-S213 WeakPolarHBondContact OG-CB 3.33Å; S158-S213 PolarHBondContact OG-OG 2.9Å
214W95.7Very high94.7Very high8 Ų841.8 Ų41.83%0.0323%0.229CC..EExtended strand (participates in β ladder)trans-107.8123.5174.3-64.9-90.1000109.4I129 C133 R156 L157 L159 F182 I212 R216 L219 F233I129-W214 HydrophobicContact CG2-CZ2 3.78Å; I129-W214 PolarHBondContact O-NE1 3.42Å; C133-W214 HydrophobicContact CB-CD2 4.18Å; C133-W214 HydrophobicContact CB-CG 4Å; R156-W214 CarbonylContact C-O 3.59Å; R156-W214 VanDerWaalsContact CA-O 3.27Å; R156-W214 WeakPolarHBondContact CA-O 3.21Å; L157-W214 PolarHBondContact N-O 3.47Å; L157-W214 PolarHBondContact O-N 3.41Å; L159-W214 HydrophobicContact CB-CH2 4.06Å; L159-W214 HydrophobicContact CB-CZ3 3.78Å; L159-W214 HydrophobicContact CD2-CH2 4.46Å; F182-W214 HydrophobicContact CE1-CZ3 4.1Å; I212-W214 HydrophobicContact CD1-CH2 3.23Å; I212-W214 HydrophobicContact CD1-CZ2 3.49Å; I212-W214 VanDerWaalsContact CD1-CZ2 3.49Å; I212-W214 HydrophobicContact CD1-CZ3 4.03Å; I212-W214 HydrophobicContact CG1-CH2 3.69Å; I212-W214 HydrophobicContact CG1-CZ2 4.24Å; I212-W214 HydrophobicContact CG1-CZ3 3.98Å; W214-R216 PolarHBondContact O-N 3.24Å; W214-L219 HydrophobicContact CB-CB 4.05Å; W214-L219 HydrophobicContact CB-CD1 4.28Å; W214-L219 HydrophobicContact CB-CD2 3.87Å; W214-L219 HydrophobicContact CB-CG 4.28Å; W214-L219 HydrophobicContact CG-CD1 4.2Å; W214-L219 HydrophobicContact CG-CD2 4.34Å; W214-F233 HydrophobicContact CZ2-CZ 4.37Å
215P94Very high94.6Very high42 Ų4248 Ų4827%0.27326%0.255SS..EExtended strand (participates in β ladder)trans-60.2134.1172.2-22.132.8000111K217 S218 L219P215-K217 PolarHBondContact O-N 3.04Å; P215-S218 PolarHBondContact O-N 2.85Å; P215-L219 WeakPolarHBondContact O-CB 3.47Å; P215-L219 PolarHBondContact O-N 3.4Å
216R92.2Very high94.4Very high16 Ų1651 Ų516%0.0627%0.269CS..Hα-helixtrans-56-46.5-172.8177.8164.8-177.198.9-3.2113.6N155 W188 L191 Q192 W214 L219 H220N155-R216 VanDerWaalsContact C-CB 3.49Å; N155-R216 WeakPolarHBondContact O-CB 3.47Å; N155-R216 PolarHBondContact O-N 3.43Å; W188-R216 HydrophobicContact CE3-CG 4.31Å; W188-R216 VanDerWaalsContact CE3-NH1 3.33Å; W188-R216 HydrophobicContact CH2-CB 4.1Å; W188-R216 HydrophobicContact CH2-CG 3.74Å; W188-R216 HydrophobicContact CZ3-CB 3.57Å; W188-R216 HydrophobicContact CZ3-CG 3.42Å; W188-R216 VanDerWaalsContact CZ3-CG 3.42Å; W188-R216 PolarHBondContact O-NH1 3.23Å; W188-R216 VanDerWaalsContact O-NH1 3.13Å; L191-R216 VanDerWaalsContact C-NH2 3.33Å; L191-R216 VanDerWaalsContact CB-NH2 3.25Å; L191-R216 PolarHBondContact O-NH2 2.89Å; Q192-R216 VanDerWaalsContact C-NH2 3.35Å; Q192-R216 PolarHBondContact O-NH2 2.87Å; W214-R216 PolarHBondContact O-N 3.24Å; R216-L219 PolarHBondContact O-N 2.95Å; R216-H220 WeakPolarHBondContact O-CB 3.29Å; R216-H220 PolarHBondContact O-CD2 3.41Å; R216-H220 VanDerWaalsContact O-CD2 3.3Å; R216-H220 PolarHBondContact O-N 2.98Å
217K91.6Very high94.4Very high189 Ų18958.4 Ų58.482%0.82230%0.295SS*.Hα-helixtrans-62.7-46.5179.7-65-178179.4178.20111.8P215 L221P215-K217 PolarHBondContact O-N 3.04Å; K217-L221 WeakPolarHBondContact O-CB 3.38Å; K217-L221 PolarHBondContact O-N 3.48Å; K217-L221 VanDerWaalsContact O-N 3.09Å
218S92.8Very high94.3Very high59 Ų5960.8 Ų60.841%0.41330%0.299SS..Hα-helixtrans-65.6-42.1179.9-55.30000111.8P215 L221 L222P215-S218 PolarHBondContact O-N 2.85Å; S218-L221 PolarHBondContact O-N 3Å; S218-L222 PolarHBondContact O-N 2.87Å
219L94.3Very high94.2Very high0 Ų057 Ų570%027%0.272CS..Hα-helixtrans-67.4-46.8179.1-173.160.5000111.5L157 W188 W214 P215 R216 L221 L222 L223 F233L157-L219 HydrophobicContact CB-CD2 3.98Å; L157-L219 HydrophobicContact CD2-CD2 3.54Å; L157-L219 HydrophobicContact CG-CD2 4.41Å; W188-L219 HydrophobicContact CH2-CB 4.1Å; W188-L219 HydrophobicContact CH2-CD2 3.84Å; W188-L219 HydrophobicContact CH2-CG 4.25Å; W188-L219 HydrophobicContact CZ2-CD2 3.95Å; W188-L219 HydrophobicContact CZ2-CG 4.39Å; W188-L219 HydrophobicContact CZ3-CD2 4.38Å; W214-L219 HydrophobicContact CB-CB 4.05Å; W214-L219 HydrophobicContact CB-CD1 4.28Å; W214-L219 HydrophobicContact CB-CD2 3.87Å; W214-L219 HydrophobicContact CB-CG 4.28Å; W214-L219 HydrophobicContact CG-CD1 4.2Å; W214-L219 HydrophobicContact CG-CD2 4.34Å; P215-L219 WeakPolarHBondContact O-CB 3.47Å; P215-L219 PolarHBondContact O-N 3.4Å; R216-L219 PolarHBondContact O-N 2.95Å; L219-L221 VanDerWaalsContact C-N 3.27Å; L219-L221 PolarHBondContact O-N 3.02Å; L219-L222 WeakPolarHBondContact O-CB 3.33Å; L219-L222 PolarHBondContact O-N 3.37Å; L219-L223 HydrophobicContact CD1-CG 4.35Å; L219-L223 HydrophobicContact CG-CD1 4.01Å; L219-L223 HydrophobicContact CG-CG 4.26Å; L219-L223 VanDerWaalsContact O-CG 3.26Å; L219-L223 WeakPolarHBondContact O-CG 3.36Å; L219-L223 PolarHBondContact O-N 3.48Å; L219-F233 HydrophobicContact CD1-CE1 4.15Å; L219-F233 HydrophobicContact CD1-CE2 4.42Å; L219-F233 HydrophobicContact CD1-CZ 4Å; L219-F233 HydrophobicContact CD2-CD1 4.45Å; L219-F233 HydrophobicContact CD2-CE1 4.11Å
220H93.5Very high94.2Very high41 Ų4158.7 Ų58.719%0.1928%0.284CS..Hα-helixtrans-59.2-38.4175.4-83.7-59.8000112.6W188 R216 L222 L223 T224W188-H220 AromaticContact CH2-CD2 3.57Å; W188-H220 AromaticContact CH2-CE1 3.98Å; W188-H220 AromaticContact CH2-NE2 3.48Å; W188-H220 WeakPolarHBondContact CH2-NE2 3.42Å; W188-H220 AromaticContact CZ2-CD2 3.8Å; W188-H220 AromaticContact CZ2-CE1 3.4Å; W188-H220 WeakPolarHBondContact CZ2-CE1 3.37Å; W188-H220 AromaticContact CZ2-ND1 3.88Å; W188-H220 AromaticContact CZ2-NE2 3.36Å; W188-H220 WeakPolarHBondContact CZ2-NE2 3.06Å; R216-H220 WeakPolarHBondContact O-CB 3.29Å; R216-H220 PolarHBondContact O-CD2 3.41Å; R216-H220 VanDerWaalsContact O-CD2 3.3Å; R216-H220 PolarHBondContact O-N 2.98Å; H220-L222 VanDerWaalsContact C-N 3.33Å; H220-L222 PolarHBondContact O-N 2.96Å; H220-L223 PolarHBondContact O-N 3.37Å; H220-T224 WeakPolarHBondContact O-CB 3.43Å; H220-T224 WeakPolarHBondContact O-CG2 3.36Å; H220-T224 PolarHBondContact O-N 3.48Å; H220-T224 PolarHBondContact O-OG1 3.48Å
221L93.9Very high94.2Very high115 Ų11562 Ų6260%0.60231%0.306SS*.Hα-helixtrans-61.6-41.7173.9-173149.2000111.7K217 S218 L219 T224 K225K217-L221 WeakPolarHBondContact O-CB 3.38Å; K217-L221 PolarHBondContact O-N 3.48Å; K217-L221 VanDerWaalsContact O-N 3.09Å; S218-L221 PolarHBondContact O-N 3Å; L219-L221 VanDerWaalsContact C-N 3.27Å; L219-L221 PolarHBondContact O-N 3.02Å; L221-T224 WeakPolarHBondContact CA-OG1 3.36Å; L221-T224 PolarHBondContact O-OG1 2.87Å; L221-K225 WeakPolarHBondContact O-CB 3.29Å; L221-K225 PolarHBondContact O-N 2.93Å; L221-K225 VanDerWaalsContact O-N 3.08Å
222L93.9Very high94.1Very high17 Ų1761.3 Ų61.39%0.08931%0.305CS..Hα-helixtrans-65.1-44.9175.3-177.263.7000112C132 S218 L219 H220 T224 K225 E226 I229C132-L222 HydrophobicContact CB-CD2 3.81Å; S218-L222 PolarHBondContact O-N 2.87Å; L219-L222 WeakPolarHBondContact O-CB 3.33Å; L219-L222 PolarHBondContact O-N 3.37Å; H220-L222 VanDerWaalsContact C-N 3.33Å; H220-L222 PolarHBondContact O-N 2.96Å; L222-T224 VanDerWaalsContact C-N 3.31Å; L222-T224 PolarHBondContact O-N 3.25Å; L222-K225 PolarHBondContact O-N 3.43Å; L222-E226 HydrophobicContact CD1-CG 4.21Å; L222-E226 PolarHBondContact O-N 3.48Å; L222-I229 HydrophobicContact CD1-CD1 3.93Å; L222-I229 HydrophobicContact CD2-CD1 4.08Å; L222-I229 HydrophobicContact CD2-CG2 4.26Å; L222-I229 HydrophobicContact CG-CD1 4.01Å; L222-I229 HydrophobicContact CG-CG2 4.37Å
223L94.3Very high94.1Very high22 Ų2261.7 Ų61.712%0.11531%0.306CS..Hα-helixtrans-65.3-33.5-179.8-62.8172.6000112.2W188 L219 H220 I229 S230 F233W188-L223 HydrophobicContact CZ2-CD1 4.34Å; L219-L223 HydrophobicContact CD1-CG 4.35Å; L219-L223 HydrophobicContact CG-CD1 4.01Å; L219-L223 HydrophobicContact CG-CG 4.26Å; L219-L223 VanDerWaalsContact O-CG 3.26Å; L219-L223 WeakPolarHBondContact O-CG 3.36Å; L219-L223 PolarHBondContact O-N 3.48Å; H220-L223 PolarHBondContact O-N 3.37Å; L223-I229 HydrophobicContact CD2-CG2 3.9Å; L223-S230 WeakPolarHBondContact O-CB 3.36Å; L223-F233 HydrophobicContact CD2-CB 3.74Å; L223-F233 HydrophobicContact CD2-CD2 3.85Å; L223-F233 HydrophobicContact CD2-CG 3.84Å
224T94Very high94.1Very high118 Ų11864.3 Ų64.372%0.72432%0.324SS*.Hα-helixtrans-75.2-32.1175.348.20000112.5H220 L221 L222H220-T224 WeakPolarHBondContact O-CB 3.43Å; H220-T224 WeakPolarHBondContact O-CG2 3.36Å; H220-T224 PolarHBondContact O-N 3.48Å; H220-T224 PolarHBondContact O-OG1 3.48Å; L221-T224 WeakPolarHBondContact CA-OG1 3.36Å; L221-T224 PolarHBondContact O-OG1 2.87Å; L222-T224 VanDerWaalsContact C-N 3.31Å; L222-T224 PolarHBondContact O-N 3.25Å
225K94.6Very high94.1Very high137 Ų13766.9 Ų66.960%0.59635%0.347SS*.Hα-helixtrans-73.6-48.1177.3-175.7-169.7170.4-157.10112.3L221 L222L221-K225 WeakPolarHBondContact O-CB 3.29Å; L221-K225 PolarHBondContact O-N 2.93Å; L221-K225 VanDerWaalsContact O-N 3.08Å; L222-K225 PolarHBondContact O-N 3.43Å
226E94.3Very high94.1Very high63 Ų6366.3 Ų66.329%0.29434%0.342SS..  trans-112.4100.9-170.1-65.9-62.3155.800111.5L222 Y228 I229 S230L222-E226 HydrophobicContact CD1-CG 4.21Å; L222-E226 PolarHBondContact O-N 3.48Å; E226-Y228 VanDerWaalsContact C-N 3.26Å; E226-Y228 PolarHBondContact O-N 3.05Å; E226-I229 HydrophobicContact CB-CB 4.03Å; E226-I229 HydrophobicContact CB-CD1 3.75Å; E226-I229 HydrophobicContact CB-CG1 3.82Å; E226-I229 HydrophobicContact CG-CD1 4.01Å; E226-I229 PolarHBondContact O-N 3.43Å; E226-I229 VanDerWaalsContact O-N 3.13Å; E226-S230 PolarHBondContact O-N 3.48Å
227R94.2Very high94.2Very high211 Ų21165.7 Ų65.780%0.79634%0.34SS*.Hα-helixtrans-59.1-35.4-176.3-166.5-179.3-171.3158.74.2113.3S230 C231R227-S230 WeakPolarHBondContact O-CB 3.47Å; R227-S230 PolarHBondContact O-N 2.93Å; R227-C231 PolarHBondContact O-N 2.93Å; R227-C231 PolarHBondContact O-SG 3.5Å; R227-C231 VanDerWaalsContact O-SG 3.39Å
228Y94Very high94.3Very high100 Ų10058.7 Ų58.739%0.39232%0.321SS..Hα-helixtrans-65.8-44.2178.1176.5-96.3000111.8V121 P122 T125 E226 S230 C231 L232V121-Y228 WeakPolarHBondContact CA-OH 3.39Å; V121-Y228 HydrophobicContact CG1-CE1 4.26Å; P122-Y228 WeakPolarHBondContact CD-OH 3.48Å; T125-Y228 HydrophobicContact CG2-CD1 3.64Å; T125-Y228 HydrophobicContact CG2-CE1 3.79Å; E226-Y228 VanDerWaalsContact C-N 3.26Å; E226-Y228 PolarHBondContact O-N 3.05Å; Y228-S230 VanDerWaalsContact C-N 3.3Å; Y228-S230 PolarHBondContact O-N 2.92Å; Y228-C231 PolarHBondContact O-N 3.32Å; Y228-L232 WeakPolarHBondContact O-CB 3.31Å; Y228-L232 PolarHBondContact O-N 2.8Å
229I94.6Very high94.4Very high2 Ų262.2 Ų62.21%0.0133%0.326CS..Hα-helixtrans-63.6-40.9176.3-59.1-178.5000110T125 E128 I129 L222 L223 E226 L232 F233T125-I229 HydrophobicContact CG2-CD1 3.75Å; T125-I229 HydrophobicContact CG2-CG1 3.35Å; E128-I229 HydrophobicContact CB-CD1 4.27Å; I129-I229 HydrophobicContact CD1-CG2 4.18Å; I129-I229 HydrophobicContact CG1-CD1 4.15Å; I129-I229 HydrophobicContact CG1-CG1 4.5Å; I129-I229 HydrophobicContact CG1-CG2 3.96Å; L222-I229 HydrophobicContact CD1-CD1 3.93Å; L222-I229 HydrophobicContact CD2-CD1 4.08Å; L222-I229 HydrophobicContact CD2-CG2 4.26Å; L222-I229 HydrophobicContact CG-CD1 4.01Å; L222-I229 HydrophobicContact CG-CG2 4.37Å; L223-I229 HydrophobicContact CD2-CG2 3.9Å; E226-I229 HydrophobicContact CB-CB 4.03Å; E226-I229 HydrophobicContact CB-CD1 3.75Å; E226-I229 HydrophobicContact CB-CG1 3.82Å; E226-I229 HydrophobicContact CG-CD1 4.01Å; E226-I229 PolarHBondContact O-N 3.43Å; E226-I229 VanDerWaalsContact O-N 3.13Å; I229-L232 PolarHBondContact O-N 3.08Å; I229-F233 HydrophobicContact CG2-CD2 3.67Å; I229-F233 HydrophobicContact CG2-CE2 3.83Å; I229-F233 WeakPolarHBondContact O-CD2 3.5Å; I229-F233 PolarHBondContact O-N 3.38Å
230S95Very high94.4Very high39 Ų3962.6 Ų62.627%0.27333%0.328SS..Hα-helixtrans-53.1-55.5173.2-168.60000112.1L223 E226 R227 Y228 L232 F233 S234L223-S230 WeakPolarHBondContact O-CB 3.36Å; E226-S230 PolarHBondContact O-N 3.48Å; R227-S230 WeakPolarHBondContact O-CB 3.47Å; R227-S230 PolarHBondContact O-N 2.93Å; Y228-S230 VanDerWaalsContact C-N 3.3Å; Y228-S230 PolarHBondContact O-N 2.92Å; S230-L232 VanDerWaalsContact C-N 3.31Å; S230-L232 PolarHBondContact O-N 3.3Å; S230-F233 PolarHBondContact O-N 3.19Å; S230-S234 PolarHBondContact O-N 3.02Å; S230-S234 PolarHBondContact O-OG 3.43Å; S230-S234 VanDerWaalsContact O-OG 3.12Å
231C95Very high94.4Very high78 Ų7862.3 Ų62.353%0.52733%0.328SS..Hα-helixtrans-61.5-38.7179-67.50000112.7R227 Y228 A235R227-C231 PolarHBondContact O-N 2.93Å; R227-C231 PolarHBondContact O-SG 3.5Å; R227-C231 VanDerWaalsContact O-SG 3.39Å; Y228-C231 PolarHBondContact O-N 3.32Å; C231-A235 WeakPolarHBondContact O-CB 3.37Å; C231-A235 PolarHBondContact O-N 2.88Å
232L94.9Very high94.3Very high16 Ų1658.8 Ų58.88%0.08431%0.312CS..Hα-helixtrans-61.8-49.9177177.264000111.4L119 V121 I129 Y228 I229 S230 A235 L236L119-L232 HydrophobicContact CD1-CD1 3.88Å; V121-L232 HydrophobicContact CG1-CD2 4.04Å; V121-L232 HydrophobicContact CG2-CD1 3.77Å; V121-L232 HydrophobicContact CG2-CD2 3.69Å; V121-L232 HydrophobicContact CG2-CG 4.4Å; I129-L232 HydrophobicContact CD1-CD2 3.99Å; Y228-L232 WeakPolarHBondContact O-CB 3.31Å; Y228-L232 PolarHBondContact O-N 2.8Å; I229-L232 PolarHBondContact O-N 3.08Å; S230-L232 VanDerWaalsContact C-N 3.31Å; S230-L232 PolarHBondContact O-N 3.3Å; L232-A235 PolarHBondContact O-N 3.42Å; L232-L236 HydrophobicContact CD1-CD1 4.13Å; L232-L236 HydrophobicContact CD1-CG 4.35Å; L232-L236 HydrophobicContact CG-CD1 4.05Å; L232-L236 WeakPolarHBondContact O-CB 3.45Å; L232-L236 WeakPolarHBondContact O-CG 3.28Å; L232-L236 PolarHBondContact O-N 3.47Å
233F95.1Very high94.2Very high7 Ų761.2 Ų61.23%0.03132%0.323CS..Hα-helixtrans-65-42.2178.5-92.7-97.6000111.8I129 L157 F182 W214 L219 L223 I229 S230 A235 L236 L237I129-F233 HydrophobicContact CD1-CE2 4Å; I129-F233 HydrophobicContact CG1-CE2 4.08Å; I129-F233 HydrophobicContact CG2-CE2 3.94Å; I129-F233 HydrophobicContact CG2-CZ 3.89Å; L157-F233 HydrophobicContact CD2-CD1 4.02Å; L157-F233 HydrophobicContact CD2-CE1 3.86Å; F182-F233 HydrophobicContact CZ-CE1 4.49Å; W214-F233 HydrophobicContact CZ2-CZ 4.37Å; L219-F233 HydrophobicContact CD1-CE1 4.15Å; L219-F233 HydrophobicContact CD1-CE2 4.42Å; L219-F233 HydrophobicContact CD1-CZ 4Å; L219-F233 HydrophobicContact CD2-CD1 4.45Å; L219-F233 HydrophobicContact CD2-CE1 4.11Å; L223-F233 HydrophobicContact CD2-CB 3.74Å; L223-F233 HydrophobicContact CD2-CD2 3.85Å; L223-F233 HydrophobicContact CD2-CG 3.84Å; I229-F233 HydrophobicContact CG2-CD2 3.67Å; I229-F233 HydrophobicContact CG2-CE2 3.83Å; I229-F233 WeakPolarHBondContact O-CD2 3.5Å; I229-F233 PolarHBondContact O-N 3.38Å; S230-F233 PolarHBondContact O-N 3.19Å; F233-A235 VanDerWaalsContact C-N 3.28Å; F233-A235 PolarHBondContact O-N 3.48Å; F233-L236 PolarHBondContact O-N 3.29Å; F233-L237 VanDerWaalsContact O-CB 3.3Å; F233-L237 WeakPolarHBondContact O-CB 3.26Å; F233-L237 VanDerWaalsContact O-CG 3.26Å; F233-L237 WeakPolarHBondContact O-CG 3.48Å; F233-L237 PolarHBondContact O-N 2.97Å
234S94.5Very high94.1Very high70 Ų7060.8 Ų60.849%0.4932%0.321SS..Hα-helixtrans-59.3-39.5175.2-61.40000112.3S230 G238S230-S234 PolarHBondContact O-N 3.02Å; S230-S234 PolarHBondContact O-OG 3.43Å; S230-S234 VanDerWaalsContact O-OG 3.12Å; S234-G238 PolarHBondContact O-N 2.92Å
235A94.6Very high93.8Very high62 Ų6259.1 Ų59.151%0.51231%0.307SS..Hα-helixtrans-68.3-43.5176.300000112.3C231 L232 F233 Y239C231-A235 WeakPolarHBondContact O-CB 3.37Å; C231-A235 PolarHBondContact O-N 2.88Å; L232-A235 PolarHBondContact O-N 3.42Å; F233-A235 VanDerWaalsContact C-N 3.28Å; F233-A235 PolarHBondContact O-N 3.48Å; A235-Y239 VanDerWaalsContact O-CB 3.3Å; A235-Y239 WeakPolarHBondContact O-CB 3Å; A235-Y239 PolarHBondContact O-N 3.47Å
236L94.6Very high93.5Very high30 Ų3057.5 Ų57.516%0.15730%0.298CS..Hα-helixtrans-65-47.4178.4-74.6173.5000112.2L119 F182 L232 F233 Y239 D240L119-L236 HydrophobicContact CD1-CD2 3.65Å; L119-L236 HydrophobicContact CD1-CG 4.31Å; F182-L236 HydrophobicContact CE2-CB 4.06Å; L232-L236 HydrophobicContact CD1-CD1 4.13Å; L232-L236 HydrophobicContact CD1-CG 4.35Å; L232-L236 HydrophobicContact CG-CD1 4.05Å; L232-L236 WeakPolarHBondContact O-CB 3.45Å; L232-L236 WeakPolarHBondContact O-CG 3.28Å; L232-L236 PolarHBondContact O-N 3.47Å; F233-L236 PolarHBondContact O-N 3.29Å; L236-Y239 PolarHBondContact O-N 3.36Å; L236-D240 WeakPolarHBondContact O-CB 3.17Å; L236-D240 PolarHBondContact O-N 3.31Å
237L95.2Very high93.1Very high4 Ų457 Ų572%0.02130%0.299CS..Hα-helixtrans-65.2-44.9178.1-69.4170.1000111.1L157 F182 E189 F233 Y239 D240 I241L157-L237 HydrophobicContact CD1-CD2 3.88Å; L157-L237 HydrophobicContact CD2-CD2 4.16Å; F182-L237 HydrophobicContact CD1-CD2 4.15Å; F182-L237 HydrophobicContact CD2-CD2 4.13Å; F182-L237 HydrophobicContact CE1-CD2 4.28Å; F182-L237 HydrophobicContact CE2-CD2 4.26Å; F182-L237 HydrophobicContact CG-CD2 4.07Å; F182-L237 HydrophobicContact CZ-CD2 4.33Å; E189-L237 WeakPolarHBondContact OE1-CD1 3.18Å; F233-L237 VanDerWaalsContact O-CB 3.3Å; F233-L237 WeakPolarHBondContact O-CB 3.26Å; F233-L237 VanDerWaalsContact O-CG 3.26Å; F233-L237 WeakPolarHBondContact O-CG 3.48Å; F233-L237 PolarHBondContact O-N 2.97Å; L237-Y239 VanDerWaalsContact C-N 3.32Å; L237-Y239 PolarHBondContact O-N 3.32Å; L237-D240 PolarHBondContact O-N 2.9Å; L237-I241 WeakPolarHBondContact O-CB 3.26Å; L237-I241 WeakPolarHBondContact O-CD1 3.31Å; L237-I241 WeakPolarHBondContact O-CG1 3.37Å; L237-I241 PolarHBondContact O-N 3.44Å
238G94.1Very high92.7Very high41 Ų4149.4 Ų49.442%0.42327%0.274SS..Hα-helixtrans-60.8-40.5176.100000112.6S234 S242S234-G238 PolarHBondContact O-N 2.92Å; G238-S242 VanDerWaalsContact O-CB 3.29Å; G238-S242 WeakPolarHBondContact O-CB 3.46Å; G238-S242 PolarHBondContact O-N 3.36Å; G238-S242 PolarHBondContact O-OG 3.49Å
239Y93.1Very high92.2Very high133 Ų13345 Ų4552%0.52226%0.257SS..Hα-helixtrans-62.4-51.3174.3178-91.5000111.5A235 L236 L237 S242 E243A235-Y239 VanDerWaalsContact O-CB 3.3Å; A235-Y239 WeakPolarHBondContact O-CB 3Å; A235-Y239 PolarHBondContact O-N 3.47Å; L236-Y239 PolarHBondContact O-N 3.36Å; L237-Y239 VanDerWaalsContact C-N 3.32Å; L237-Y239 PolarHBondContact O-N 3.32Å; Y239-S242 PolarHBondContact O-N 3.35Å; Y239-S242 PolarHBondContact O-OG 2.94Å; Y239-E243 WeakPolarHBondContact CE1-OE2 3.36Å; Y239-E243 PolarHBondContact O-N 3.35Å
240D94.9Very high91.8Very high8 Ų848.8 Ų48.84%0.04328%0.278CS..Hα-helixtrans-61.9-46.6-178.2-176.398.1000112.4Q181 F182 S185 L236 L237 S242 E243 K244Q181-D240 WeakPolarHBondContact CA-OD1 3.26Å; Q181-D240 WeakPolarHBondContact CB-OD1 3.46Å; F182-D240 HydrophobicContact CD2-CB 4.07Å; F182-D240 PolarHBondContact N-OD1 3.08Å; S185-D240 PolarHBondContact OG-OD2 2.93Å; L236-D240 WeakPolarHBondContact O-CB 3.17Å; L236-D240 PolarHBondContact O-N 3.31Å; L237-D240 PolarHBondContact O-N 2.9Å; D240-S242 VanDerWaalsContact C-N 3.31Å; D240-S242 PolarHBondContact O-N 3.28Å; D240-E243 PolarHBondContact O-N 3.25Å; D240-K244 WeakPolarHBondContact O-CG 3.49Å; D240-K244 PolarHBondContact O-N 3.01Å; D240-K244 WeakPolarHBondContact OD2-CE 3.21Å; D240-K244 IonicContact OD2-NZ 3.68Å; D240-K244 PolarHBondContact OD2-NZ 3.49Å
241I93.6Very high91.1Very high36 Ų3651 Ų5119%0.18528%0.282CS..Hα-helixtrans-60.6-43.3176.1-67.4165.2000110.3E189 L237 E243 K244 L245E189-I241 HydrophobicContact CB-CD1 3.99Å; E189-I241 HydrophobicContact CG-CD1 3.53Å; L237-I241 WeakPolarHBondContact O-CB 3.26Å; L237-I241 WeakPolarHBondContact O-CD1 3.31Å; L237-I241 WeakPolarHBondContact O-CG1 3.37Å; L237-I241 PolarHBondContact O-N 3.44Å; I241-E243 VanDerWaalsContact C-N 3.33Å; I241-E243 PolarHBondContact O-N 3.47Å; I241-K244 PolarHBondContact O-N 2.84Å; I241-L245 HydrophobicContact CG2-CD1 3.91Å; I241-L245 HydrophobicContact CG2-CG 4.25Å; I241-L245 WeakPolarHBondContact O-CB 3.4Å; I241-L245 VanDerWaalsContact O-CG 3.29Å; I241-L245 WeakPolarHBondContact O-CG 3.33Å; I241-L245 PolarHBondContact O-N 3.27Å
242S92.4Very high90.4Very high40 Ų4050.3 Ų50.328%0.2827%0.273SS..Hα-helixtrans-61.5-42.5177.977.60000111.7G238 Y239 D240 K244 L245 Y246G238-S242 VanDerWaalsContact O-CB 3.29Å; G238-S242 WeakPolarHBondContact O-CB 3.46Å; G238-S242 PolarHBondContact O-N 3.36Å; G238-S242 PolarHBondContact O-OG 3.49Å; Y239-S242 PolarHBondContact O-N 3.35Å; Y239-S242 PolarHBondContact O-OG 2.94Å; D240-S242 VanDerWaalsContact C-N 3.31Å; D240-S242 PolarHBondContact O-N 3.28Å; S242-K244 PolarHBondContact O-N 2.98Å; S242-L245 PolarHBondContact O-N 3.01Å; S242-Y246 WeakPolarHBondContact O-CD2 3.28Å; S242-Y246 PolarHBondContact O-N 2.71Å
243E91.1Very high89.7Confident68 Ų6854.2 Ų54.232%0.31829%0.29SS..Hα-helixtrans-62.5-44.3178.4-165.8-174.1151.700111.4Q181 Y239 D240 I241 Y246 T247Q181-E243 PolarHBondContact NE2-OE1 3.35Å; Y239-E243 WeakPolarHBondContact CE1-OE2 3.36Å; Y239-E243 PolarHBondContact O-N 3.35Å; D240-E243 PolarHBondContact O-N 3.25Å; I241-E243 VanDerWaalsContact C-N 3.33Å; I241-E243 PolarHBondContact O-N 3.47Å; E243-Y246 PolarHBondContact O-N 2.89Å; E243-T247 WeakPolarHBondContact O-CB 3.38Å; E243-T247 PolarHBondContact O-N 3.36Å; E243-T247 PolarHBondContact O-OG1 3.43Å
244K92.1Very high88.9Confident14 Ų1458.1 Ų58.16%0.06132%0.323CS..Hα-helixtrans-61.8-46175.3-71.1175.1177.6174.10111.8F182 S185 P186 D240 I241 S242 T247 L248F182-K244 WeakPolarHBondContact O-CE 3.48Å; F182-K244 PolarHBondContact O-NZ 3.21Å; S185-K244 PolarHBondContact OG-NZ 2.95Å; P186-K244 HydrophobicContact CG-CD 4.27Å; D240-K244 WeakPolarHBondContact O-CG 3.49Å; D240-K244 PolarHBondContact O-N 3.01Å; D240-K244 WeakPolarHBondContact OD2-CE 3.21Å; D240-K244 IonicContact OD2-NZ 3.68Å; D240-K244 PolarHBondContact OD2-NZ 3.49Å; I241-K244 PolarHBondContact O-N 2.84Å; S242-K244 PolarHBondContact O-N 2.98Å; K244-T247 PolarHBondContact O-N 3.02Å; K244-L248 WeakPolarHBondContact O-CG 3.35Å; K244-L248 PolarHBondContact O-N 3.23Å
245L89Confident88.2Confident82 Ų8261.8 Ų61.843%0.42933%0.33SS..Hα-helixtrans-62.8-43.5178-72.1176.3000112.2I241 S242 T247 L248 N249 I262I241-L245 HydrophobicContact CG2-CD1 3.91Å; I241-L245 HydrophobicContact CG2-CG 4.25Å; I241-L245 WeakPolarHBondContact O-CB 3.4Å; I241-L245 VanDerWaalsContact O-CG 3.29Å; I241-L245 WeakPolarHBondContact O-CG 3.33Å; I241-L245 PolarHBondContact O-N 3.27Å; S242-L245 PolarHBondContact O-N 3.01Å; L245-T247 VanDerWaalsContact C-N 3.35Å; L245-L248 PolarHBondContact O-N 2.89Å; L245-N249 VanDerWaalsContact O-CB 3.32Å; L245-N249 WeakPolarHBondContact O-CB 3.32Å; L245-N249 PolarHBondContact O-N 3.49Å; L245-I262 HydrophobicContact CB-CD1 4.36Å
246Y87.9Confident87.4Confident104 Ų10464.6 Ų64.641%0.40833%0.331SS..Hα-helixtrans-63.2-42.1175.1-79.1-63.5000111.6S242 E243 L248 N249 D250 I262S242-Y246 WeakPolarHBondContact O-CD2 3.28Å; S242-Y246 PolarHBondContact O-N 2.71Å; E243-Y246 PolarHBondContact O-N 2.89Å; Y246-L248 VanDerWaalsContact C-N 3.34Å; Y246-L248 PolarHBondContact O-N 3.41Å; Y246-N249 PolarHBondContact O-N 2.93Å; Y246-D250 PolarHBondContact O-N 3.45Å; Y246-I262 HydrophobicContact CD1-CD1 3.91Å; Y246-I262 HydrophobicContact CD2-CD1 3.98Å; Y246-I262 HydrophobicContact CE1-CD1 3.49Å; Y246-I262 VanDerWaalsContact CE1-CD1 3.49Å; Y246-I262 HydrophobicContact CE1-CG1 3.98Å; Y246-I262 HydrophobicContact CE2-CD1 3.56Å; Y246-I262 HydrophobicContact CG-CD1 4.13Å
247T86.1Confident86.6Confident53 Ų5365.6 Ų65.633%0.32535%0.349SS..Hα-helixtrans-61.4-41.8177.2-590000111.9H175 E243 K244 L245 K251H175-T247 HydrophobicContact CB-CG2 4.49Å; E243-T247 WeakPolarHBondContact O-CB 3.38Å; E243-T247 PolarHBondContact O-N 3.36Å; E243-T247 PolarHBondContact O-OG1 3.43Å; K244-T247 PolarHBondContact O-N 3.02Å; L245-T247 VanDerWaalsContact C-N 3.35Å; T247-K251 WeakPolarHBondContact O-CG 3.38Å; T247-K251 PolarHBondContact O-N 3.35Å
248L84.3Confident85.7Confident50 Ų5069.9 Ų69.926%0.26237%0.371SS..Hα-helixtrans-67.1-41.7175.4-70.2174.6000111.8L174 K244 L245 Y246 D250 K251 L252L174-L248 HydrophobicContact CB-CD2 4.18Å; L174-L248 HydrophobicContact CD2-CD2 4.29Å; L174-L248 HydrophobicContact CG-CD2 4.4Å; K244-L248 WeakPolarHBondContact O-CG 3.35Å; K244-L248 PolarHBondContact O-N 3.23Å; L245-L248 PolarHBondContact O-N 2.89Å; Y246-L248 VanDerWaalsContact C-N 3.34Å; Y246-L248 PolarHBondContact O-N 3.41Å; L248-D250 PolarHBondContact O-N 2.91Å; L248-K251 WeakPolarHBondContact O-CB 3.45Å; L248-K251 PolarHBondContact O-N 3.37Å; L248-L252 WeakPolarHBondContact O-CG 3.22Å; L248-L252 PolarHBondContact O-N 2.96Å
249N85.1Confident84.9Confident7 Ų776.1 Ų76.14%0.03738%0.382CS..Hα-helixtrans-62.9-40.8178-167.916.4000111.9L245 Y246 K251 L252 F253 F260L245-N249 VanDerWaalsContact O-CB 3.32Å; L245-N249 WeakPolarHBondContact O-CB 3.32Å; L245-N249 PolarHBondContact O-N 3.49Å; Y246-N249 PolarHBondContact O-N 2.93Å; N249-K251 VanDerWaalsContact C-N 3.28Å; N249-K251 PolarHBondContact O-N 2.9Å; N249-L252 PolarHBondContact O-N 3.34Å; N249-F253 WeakPolarHBondContact O-CB 3.33Å; N249-F253 PolarHBondContact O-N 3.49Å; N249-F260 PolarHBondContact ND2-O 3.24Å; N249-F260 PolarHBondContact OD1-N 3.02Å
250D84.7Confident84.1Confident83 Ų8373 Ų7344%0.44437%0.371SS..Hα-helixtrans-63.4-34.9175.3-73.7-17000111.7Y246 L248 F253 A254Y246-D250 PolarHBondContact O-N 3.45Å; L248-D250 PolarHBondContact O-N 2.91Å; D250-F253 PolarHBondContact O-N 3.14Å; D250-A254 WeakPolarHBondContact O-CB 3.24Å; D250-A254 PolarHBondContact O-N 2.9Å
251K81.8Confident83.3Confident85 Ų8575.7 Ų75.737%0.3739%0.385SS..Hα-helixtrans-69.5-40.5173-71.3-176179.8-166.60112.9L174 T247 L248 N249 F253 A254 K255L174-K251 WeakPolarHBondContact O-CD 3.4Å; L174-K251 PolarHBondContact O-NZ 2.9Å; T247-K251 WeakPolarHBondContact O-CG 3.38Å; T247-K251 PolarHBondContact O-N 3.35Å; L248-K251 WeakPolarHBondContact O-CB 3.45Å; L248-K251 PolarHBondContact O-N 3.37Å; N249-K251 VanDerWaalsContact C-N 3.28Å; N249-K251 PolarHBondContact O-N 2.9Å; K251-F253 VanDerWaalsContact C-N 3.3Å; K251-A254 PolarHBondContact O-N 3.02Å; K251-K255 WeakPolarHBondContact O-CB 3.11Å; K251-K255 PolarHBondContact O-N 3.31Å
252L78.5Confident82.5Confident64 Ų6476.9 Ų76.934%0.33539%0.392SS..Hα-helixtrans-62.9-40173.8-71174.3000111L248 N249 K255 F256 F260L248-L252 WeakPolarHBondContact O-CG 3.22Å; L248-L252 PolarHBondContact O-N 2.96Å; N249-L252 PolarHBondContact O-N 3.34Å; L252-K255 PolarHBondContact O-N 2.86Å; L252-F256 HydrophobicContact CD2-CD2 3.97Å; L252-F256 HydrophobicContact CD2-CE2 3.95Å; L252-F256 WeakPolarHBondContact O-CB 3.48Å; L252-F256 PolarHBondContact O-N 3.41Å; L252-F260 HydrophobicContact CD1-CD2 4.18Å; L252-F260 HydrophobicContact CD1-CE2 3.98Å
253F80.3Confident81.8Confident98 Ų9884.2 Ų84.243%0.4341%0.413SS..Hα-helixtrans-63.1-44.9174.2-178-103.4000111.8N249 D250 K251 K255 G257 L258 R259N249-F253 WeakPolarHBondContact O-CB 3.33Å; N249-F253 PolarHBondContact O-N 3.49Å; D250-F253 PolarHBondContact O-N 3.14Å; K251-F253 VanDerWaalsContact C-N 3.3Å; F253-K255 VanDerWaalsContact C-N 3.29Å; F253-K255 PolarHBondContact O-N 3.24Å; F253-G257 WeakPolarHBondContact CE2-O 3.35Å; F253-G257 WeakPolarHBondContact O-CA 3.19Å; F253-G257 PolarHBondContact O-N 3.37Å; F253-L258 WeakPolarHBondContact CA-O 3.24Å; F253-L258 WeakPolarHBondContact CB-O 3.45Å; F253-L258 PolarHBondContact N-O 3.42Å; F253-R259 HydrophobicContact CD2-CB 3.81Å; F253-R259 HydrophobicContact CE2-CB 4.41Å
254A78.6Confident80.8Confident88 Ų8886.3 Ų86.373%0.72743%0.426SS*.Hα-helixtrans-63-34.5177.200000113D250 K251D250-A254 WeakPolarHBondContact O-CB 3.24Å; D250-A254 PolarHBondContact O-N 2.9Å; K251-A254 PolarHBondContact O-N 3.02Å
255K79.7Confident79.1Confident147 Ų14791.4 Ų91.464%0.63946%0.461SS*.Hα-helixtrans-86.5-37.7-176.6-171.2172.7176-175.80113.6K251 L252 F253K251-K255 WeakPolarHBondContact O-CB 3.11Å; K251-K255 PolarHBondContact O-N 3.31Å; L252-K255 PolarHBondContact O-N 2.86Å; F253-K255 VanDerWaalsContact C-N 3.29Å; F253-K255 PolarHBondContact O-N 3.24Å
256F78.4Confident77.5Confident121 Ų12190 Ų9053%0.53146%0.458SS..Hα-helixtrans-124.3-4.5-170-58.2-73.1000114.1L252 L258L252-F256 HydrophobicContact CD2-CD2 3.97Å; L252-F256 HydrophobicContact CD2-CE2 3.95Å; L252-F256 WeakPolarHBondContact O-CB 3.48Å; L252-F256 PolarHBondContact O-N 3.41Å; F256-L258 HydrophobicContact CB-CB 4.46Å; F256-L258 HydrophobicContact CB-CD1 4.06Å; F256-L258 HydrophobicContact CB-CG 4.23Å; F256-L258 PolarHBondContact O-N 3.1Å
257G78.7Confident75.5Confident52 Ų5291.5 Ų91.554%0.53647%0.472SS..SBendtrans70.37.5-174.700000114.3F253F253-G257 WeakPolarHBondContact CE2-O 3.35Å; F253-G257 WeakPolarHBondContact O-CA 3.19Å; F253-G257 PolarHBondContact O-N 3.37Å
258L75.8Confident73.6Confident94 Ų9496.2 Ų96.249%0.49249%0.485SS..  trans-96.7125.2-177-66.6168.9000110.4F253 F256 F260F253-L258 WeakPolarHBondContact CA-O 3.24Å; F253-L258 WeakPolarHBondContact CB-O 3.45Å; F253-L258 PolarHBondContact N-O 3.42Å; F256-L258 HydrophobicContact CB-CB 4.46Å; F256-L258 HydrophobicContact CB-CD1 4.06Å; F256-L258 HydrophobicContact CB-CG 4.23Å; F256-L258 PolarHBondContact O-N 3.1Å; L258-F260 HydrophobicContact CB-CE2 4.17Å; L258-F260 HydrophobicContact CB-CZ 4.28Å; L258-F260 HydrophobicContact CD1-CZ 4.41Å
259R76.6Confident71.9Confident172 Ų172103.1 Ų103.165%0.64952%0.515SS*.  trans-115.6112.1173.7-167.8173.8-169.2152.49.2109.1F253F253-R259 HydrophobicContact CD2-CB 3.81Å; F253-R259 HydrophobicContact CE2-CB 4.41Å
260F75.8Confident69.9Low67 Ų67108 Ų10829%0.29455%0.545SS..  trans-82.2139.5178-62-80000110N249 L252 L258 I262N249-F260 PolarHBondContact ND2-O 3.24Å; N249-F260 PolarHBondContact OD1-N 3.02Å; L252-F260 HydrophobicContact CD1-CD2 4.18Å; L252-F260 HydrophobicContact CD1-CE2 3.98Å; L258-F260 HydrophobicContact CB-CE2 4.17Å; L258-F260 HydrophobicContact CB-CZ 4.28Å; L258-F260 HydrophobicContact CD1-CZ 4.41Å; F260-I262 PolarHBondContact O-N 2.87Å
261D78.9Confident67.8Low64 Ų64110.5 Ų110.534%0.34256%0.558SS.*  trans-84.6100163.6-171.1-15.8000107.8R263 L264D261-R263 PolarHBondContact O-N 3.49Å; D261-R263 WeakPolarHBondContact OD1-CB 3.49Å; D261-R263 WeakPolarHBondContact OD1-CG 3.28Å; D261-R263 IonicContact OD1-CZ 3.73Å; D261-R263 PolarHBondContact OD1-N 2.99Å; D261-R263 VanDerWaalsContact OD1-N 3.11Å; D261-R263 IonicContact OD1-NE 2.93Å; D261-R263 PolarHBondContact OD1-NE 3.05Å; D261-R263 IonicContact OD1-NH2 3.63Å; D261-R263 IonicContact OD2-CZ 3.56Å; D261-R263 IonicContact OD2-NE 3.5Å; D261-R263 PolarHBondContact OD2-NE 3.28Å; D261-R263 IonicContact OD2-NH2 2.77Å; D261-R263 PolarHBondContact OD2-NH2 2.83Å; D261-L264 HydrophobicContact CB-CD1 3.61Å; D261-L264 PolarHBondContact O-N 2.97Å; D261-L264 VanDerWaalsContact O-N 3.08Å
262I75.9Confident65.5Low61 Ų61108.7 Ų108.731%0.31356%0.563SS.*THydrogen-bonded Turntrans-62.7-9.4-176.662.6168.9000113.8L245 Y246 F260L245-I262 HydrophobicContact CB-CD1 4.36Å; Y246-I262 HydrophobicContact CD1-CD1 3.91Å; Y246-I262 HydrophobicContact CD2-CD1 3.98Å; Y246-I262 HydrophobicContact CE1-CD1 3.49Å; Y246-I262 VanDerWaalsContact CE1-CD1 3.49Å; Y246-I262 HydrophobicContact CE1-CG1 3.98Å; Y246-I262 HydrophobicContact CE2-CD1 3.56Å; Y246-I262 HydrophobicContact CG-CD1 4.13Å; F260-I262 PolarHBondContact O-N 2.87Å
263R77.9Confident63.6Low195 Ų195112 Ų11274%0.73659%0.588SS**THydrogen-bonded Turntrans-86.2-20.7177.4-57172.7-64.3171.65112.7D261D261-R263 PolarHBondContact O-N 3.49Å; D261-R263 WeakPolarHBondContact OD1-CB 3.49Å; D261-R263 WeakPolarHBondContact OD1-CG 3.28Å; D261-R263 IonicContact OD1-CZ 3.73Å; D261-R263 PolarHBondContact OD1-N 2.99Å; D261-R263 VanDerWaalsContact OD1-N 3.11Å; D261-R263 IonicContact OD1-NE 2.93Å; D261-R263 PolarHBondContact OD1-NE 3.05Å; D261-R263 IonicContact OD1-NH2 3.63Å; D261-R263 IonicContact OD2-CZ 3.56Å; D261-R263 IonicContact OD2-NE 3.5Å; D261-R263 PolarHBondContact OD2-NE 3.28Å; D261-R263 IonicContact OD2-NH2 2.77Å; D261-R263 PolarHBondContact OD2-NH2 2.83Å
264L70Confident61.5Low112 Ų112113.9 Ų113.959%0.58661%0.608SS**SBendtrans-84.4140.2175.2-79.9129.3000108.7D261 S266D261-L264 HydrophobicContact CB-CD1 3.61Å; D261-L264 PolarHBondContact O-N 2.97Å; D261-L264 VanDerWaalsContact O-N 3.08Å; L264-S266 PolarHBondContact O-N 2.9Å
265P57.2Low59.4Low121 Ų121114.2 Ų114.279%0.78661%0.611SS**  trans-51.9114.3167-21.531.6000108.1L267P265-L267 PolarHBondContact O-N 3.36Å
266S55.4Low57.3Low53 Ų53112 Ų11237%0.37162%0.619SS.*  trans-65.8133.6-173.6179.10000110.4L264 Y268L264-S266 PolarHBondContact O-N 2.9Å; S266-Y268 PolarHBondContact O-N 2.88Å; S266-Y268 WeakPolarHBondContact OG-CD2 3.47Å; S266-Y268 WeakPolarHBondContact OG-CE2 3.49Å
267L45.1Very low55.2Low134 Ų134113.9 Ų113.970%0.70264%0.635SS**  trans-68.129.2175.7-73.7158.6000113.2P265 H269 V270P265-L267 PolarHBondContact O-N 3.36Å; L267-H269 PolarHBondContact O-N 3.44Å; L267-V270 HydrophobicContact CB-CB 4.47Å; L267-V270 HydrophobicContact CB-CG2 4.27Å; L267-V270 HydrophobicContact CD2-CG2 3.9Å; L267-V270 WeakPolarHBondContact O-CB 3.38Å; L267-V270 PolarHBondContact O-N 3.26Å
268Y46.9Very low53.2Low153 Ų153116.6 Ų116.660%0.665%0.652SS**THydrogen-bonded Turntrans-57.9-18.7-177.3-73.8-61.6000113.6S266 V270S266-Y268 PolarHBondContact O-N 2.88Å; S266-Y268 WeakPolarHBondContact OG-CD2 3.47Å; S266-Y268 WeakPolarHBondContact OG-CE2 3.49Å; Y268-V270 VanDerWaalsContact C-N 3.26Å; Y268-V270 PolarHBondContact O-N 3.07Å
269H48.3Very low50.9Low195 Ų195115.1 Ų115.190%0.90366%0.66SS**THydrogen-bonded Turntrans-71.7-13.5170.5-70.5-62.5000114.9L267L267-H269 PolarHBondContact O-N 3.44Å
270V43.4Very low49Very low108 Ų108113.2 Ų113.266%0.65567%0.67SS**THydrogen-bonded Turntrans-96.1-21.8-177-176.50000112.2L267 Y268L267-V270 HydrophobicContact CB-CB 4.47Å; L267-V270 HydrophobicContact CB-CG2 4.27Å; L267-V270 HydrophobicContact CD2-CG2 3.9Å; L267-V270 WeakPolarHBondContact O-CB 3.38Å; L267-V270 PolarHBondContact O-N 3.26Å; Y268-V270 VanDerWaalsContact C-N 3.26Å; Y268-V270 PolarHBondContact O-N 3.07Å
271L40.3Very low47Very low137 Ų137119.1 Ų119.172%0.71770%0.699SS**  trans-106.743.3177.4-64.8171.8000111.6
272G33.8Very low44.6Very low46 Ų46122 Ų12247%0.47472%0.724SS.*  trans-57.3153.6162.900000110.3T274G272-T274 PolarHBondContact O-N 3.44Å
273P37.7Very low42.4Very low133 Ų133127.7 Ų127.786%0.86475%0.749SS**  trans-55.3120.7-172.919.7-27.6000109.4A275P273-A275 PolarHBondContact O-N 3.45Å
274T36Very low40.1Very low138 Ų138128.7 Ų128.785%0.84776%0.759SS**  trans-54.9112.416931.60000107.1G272 A276G272-T274 PolarHBondContact O-N 3.44Å; T274-A276 PolarHBondContact O-N 3.33Å
275A35.9Very low38Very low96 Ų96126.3 Ų126.379%0.79376%0.761SS**  trans-43.8125.8173.100000108.6P273 D277P273-A275 PolarHBondContact O-N 3.45Å; A275-D277 PolarHBondContact O-N 3.16Å
276A36Very low36.7Very low99 Ų99128.1 Ų128.182%0.81876%0.764SS**SBendtrans-58.1129.6177.200000109.8T274T274-A276 PolarHBondContact O-N 3.33Å
277D33.9Very low35.6Very low162 Ų162133.9 Ų133.987%0.86679%0.785SS**  trans5397.5151.7-112.2-2.3000118.1A275A275-D277 PolarHBondContact O-N 3.16Å
278A35.9Very low34.9Very low108 Ų108137 Ų13789%0.89380%0.796SS**  trans-88.5116150.400000108.6
279G27.7Very low33.9Very low64 Ų64134.2 Ų134.266%0.6681%0.805SS**  trans-151.6154.5169.600000110.6
280P37.6Very low32.8Very low131 Ų131131 Ų13185%0.85180%0.803SS**  -98.5170.9-117.535.5-36.4000116.4
281E33Very low32Very low192 Ų192133.9 Ų133.990%0.89781%0.809SS**  trans-41.9145.2178.9-60.4169.8137.500116.7
282S28.4Very low32Very low124 Ų124132.1 Ų132.187%0.86781%0.806SS**  trans-149119.8147.2-1750000110.3
283E30.9Very low31.6Very low180 Ų180134.4 Ų134.484%0.84182%0.82SS**  trans-70168.7176-66.8177.9108.200114.3
284K29.5Very low31.1Very low216 Ų216132.9 Ų132.994%0.93982%0.819SS**  trans104124.5169.1-68.1-174.5172.7-176.70114.6
285G25.6Very low30.7Very low62 Ų62132 Ų13264%0.63982%0.818SS**  cis170.1153.33.100000109.2
286D30.5Very low30.9Very low159 Ų159132.8 Ų132.885%0.8582%0.815SS**  trans60.4144.6156.8-47-23.8000118.9
287E31.4Very low30.9Very low175 Ų175134.2 Ų134.282%0.81882%0.816SS**  cis-176.9134-13.7-111.1-172.3135.400102.4
288E29.7Very low30.6Very low199 Ų199135.5 Ų135.593%0.9382%0.817SS**  -171.1134.1129.8-115.5177.1154.300112.9
289A26.5Very low30.2Very low94 Ų94135.3 Ų135.378%0.77782%0.816SS**  trans-45.6166.2178.500000116.1
290C25.9Very low30.3Very low127 Ų127138.8 Ų138.886%0.85882%0.824SS**  cis-166.8146.425.8-151.30000110.4
291E26.4Very low30.3Very low170 Ų170138 Ų13879%0.79482%0.819SS**  trans-54.4-173.8171-85.2-108.6108.200117.1
292P40Very low30Very low100 Ų100136 Ų13665%0.64982%0.82SS**  cis-140.4-178.3-23.927.2-4.5000116.2
293A25Very low30Very low93 Ų93134.5 Ų134.577%0.76981%0.81SS**  trans104.5109137.900000119.2
294A26.9Very low29.9Very low102 Ų102134.3 Ų134.384%0.84381%0.814SS**  162.3126.2107.200000111.4
295S28.2Very low30Very low119 Ų119131.6 Ų131.683%0.83280%0.804SS**  trans-90.8-177.5171.3-38.20000111
296P40.4Very low30Very low113 Ų113138.1 Ų138.173%0.73482%0.818SS**  -109.8-164.1-104.637.6-19.1000112.7
297P34.8Very low29.8Very low128 Ų128136.4 Ų136.483%0.83181%0.813SS**  trans-131.7141.1133.134.2-22.4000114.6
298Q29.1Very low29.9Very low189 Ų189133.4 Ų133.488%0.88381%0.809SS**  trans-71.4148.7161.6-72.7176.2-28.400111.2
299A26.9Very low30.1Very low105 Ų105129.9 Ų129.987%0.86880%0.804SS**  trans-155.8119.2144.100000110.8
300T28.8Very low30.1Very low136 Ų136131.9 Ų131.983%0.83481%0.81SS**  trans-104.6-176.8161.8430000108.7
301P39.5Very low30.5Very low116 Ų116131.1 Ų131.175%0.75381%0.807SS**  -123.7167.2-65.336.1-20.5000111.4
302T26.2Very low31.1Very low149 Ų149128.6 Ų128.691%0.91481%0.805SS**  trans-130.7124.6163.7-51.50000111.6
303S28Very low31.1Very low92 Ų92129.5 Ų129.564%0.64381%0.811SS**  trans-64.3147.5176.1178.50000113.4
304L29.7Very low31.5Very low177 Ų177131.3 Ų131.393%0.92781%0.814SS**  -163.7133.9117-97.1174000111.4
305Q30.3Very low31.7Very low158 Ų158130.8 Ų130.874%0.73881%0.81SS**  trans-95.2141.3-170.7177.6178.221.600110.2
306Q26.2Very low31.9Very low199 Ų199129.7 Ų129.793%0.9381%0.809SS**  trans-168.4115.3141.3-108.2166.310.300113.1
307T25.1Very low31.5Very low123 Ų123130 Ų13076%0.75581%0.808SS**PPolyproline II helixtrans-86.9151.4168.6-1.60000110.8
308P33.4Very low31.5Very low113 Ų113131.3 Ų131.373%0.73481%0.809SS**PPolyproline II helixtrans-99157.7151.716.11.4000112.2
309P34.7Very low31.6Very low125 Ų125131 Ų13181%0.81280%0.804SS**PPolyproline II helixtrans-84.6147-161.432-34.5000115.2
310C27.5Very low32Very low136 Ų136131.9 Ų131.992%0.91980%0.802SS**PPolyproline II helixtrans-67.3132.7169.9-73.30000112.6
311S32.8Very low32.2Very low111 Ų111129.9 Ų129.978%0.77680%0.799SS**PPolyproline II helixtrans-91.3143.3165.5-37.40000110.2
312P40.5Very low32Very low116 Ų116129.9 Ų129.975%0.75380%0.799SS**PPolyproline II helixtrans-75.5153.9177.230.5-32.7000112.3
313P38.2Very low32.4Very low120 Ų120128.8 Ų128.878%0.77979%0.794SS**PPolyproline II helixtrans-78.8143.4-177.632.1-32.8000111.4
314P35.2Very low32.6Very low130 Ų130130.2 Ų130.284%0.84480%0.804SS**PPolyproline II helixtrans-77.7147.5171.430.5-30.1000111.5
315A29.8Very low32.8Very low92 Ų92133.4 Ų133.476%0.7680%0.804SS**PPolyproline II helixtrans-58146.9-17500000114.2T317A315-T317 PolarHBondContact O-N 3.06Å
316A32.9Very low33Very low96 Ų96130.5 Ų130.579%0.79381%0.807SS**PPolyproline II helixtrans-63.9118.3173.200000111.6
317T31.8Very low33.6Very low118 Ų118131.4 Ų131.472%0.72480%0.802SS**  trans-114.2106.9162.2-4.60000108A315 F319A315-T317 PolarHBondContact O-N 3.06Å; T317-F319 HydrophobicContact CG2-CE2 4.48Å; T317-F319 PolarHBondContact O-N 3.34Å
318N34Very low34Very low157 Ų157133.4 Ų133.484%0.8481%0.807SS**  trans-65.2117.5174.7-71.8-49.4000110.3
319F31.4Very low34.2Very low181 Ų181132.9 Ų132.979%0.79481%0.806SS**  trans-124128.4159.5-77.1-78.3000108.8T317T317-F319 HydrophobicContact CG2-CE2 4.48Å; T317-F319 PolarHBondContact O-N 3.34Å
320P35.1Very low34.7Very low125 Ų125133.4 Ų133.481%0.81279%0.792SS**PPolyproline II helixtrans-72.4137.1-179.226.8-30.5000111.5
321A33.8Very low35Very low93 Ų93131.8 Ų131.877%0.76978%0.779SS**PPolyproline II helixtrans-68.3140.1175.800000111.6
322P35.3Very low35.1Very low117 Ų117133 Ų13376%0.7678%0.777SS**PPolyproline II helixtrans-73.1150.3172.929.7-31.5000110.9
323P34.8Very low35.1Very low125 Ų125132.5 Ų132.581%0.81278%0.776SS**PPolyproline II helixtrans-66.1144.6-175.126.1-32.7000112.1R325P323-R325 PolarHBondContact O-N 3.49Å
324S31.8Very low34.8Very low122 Ų122129.8 Ų129.885%0.85377%0.77SS**  trans-59.211417841.90000111.2A326S324-A326 PolarHBondContact O-N 2.95Å
325R34.8Very low34.8Very low244 Ų244130.4 Ų130.492%0.92177%0.765SS**  trans-69.9115.4169.3-158.1175.7-161.2158.93.7107.9P323 R327P323-R325 PolarHBondContact O-N 3.49Å; R325-R327 PolarHBondContact O-N 2.85Å
326A34.8Very low34.9Very low97 Ų97133.7 Ų133.780%0.80277%0.769SS**  trans-49.8122.217200000109.6S324 L328S324-A326 PolarHBondContact O-N 2.95Å; A326-L328 PolarHBondContact O-N 3.38Å
327R38.6Very low34.9Very low218 Ų218133.4 Ų133.482%0.82377%0.767SS**  trans-72.9119.5179.3-173.5-179-71.6-132.60.8107.9R325 S329R325-R327 PolarHBondContact O-N 2.85Å; R327-S329 PolarHBondContact O-N 3.03Å
328L33.2Very low34.9Very low166 Ų166132.9 Ų132.987%0.86977%0.768SS**  trans-68.9113.1176.2-154.577000108.4A326A326-L328 PolarHBondContact O-N 3.38Å
329S38.2Very low34.6Very low101 Ų101137.2 Ų137.271%0.70677%0.772SS**PPolyproline II helixtrans-63.41451672.60000109.5R327R327-S329 PolarHBondContact O-N 3.03Å
330R45.2Very low34.6Very low137 Ų137136.3 Ų136.352%0.51777%0.774SS.*PPolyproline II helixtrans-51.5129.3172.8-171.7172.6176.7-179.3-9109.2D332R330-D332 PolarHBondContact O-N 3.38Å
331P32.1Very low34.5Very low102 Ų102136.2 Ų136.266%0.66277%0.773SS**THydrogen-bonded Turntrans-65.5131.2176.527.3-29.4000107.5
332D37Very low34.2Very low136 Ų136140.3 Ų140.373%0.72778%0.782SS**THydrogen-bonded Turntrans119.6-5.5167.8-55.6-23.8000117.2R330 G334R330-D332 PolarHBondContact O-N 3.38Å; D332-G334 PolarHBondContact O-N 3.14Å
333S39.4Very low33.8Very low105 Ų105143.2 Ų143.273%0.73479%0.785SS**THydrogen-bonded Turntrans-74.7-6.2173.5-41.50000114.4
334G32.5Very low33.5Very low63 Ų63141.8 Ų141.865%0.64978%0.778SS**THydrogen-bonded Turntrans-102-14.2-170.300000116.7D332D332-G334 PolarHBondContact O-N 3.14Å
335I33.8Very low33.3Very low144 Ų144146.8 Ų146.874%0.73878%0.78SS**SBendtrans-95.3-15.2-166.5-64.6176.9000113.4
336L33Very low33.2Very low160 Ų160140.8 Ų140.884%0.83878%0.775SS**SBendtrans-95-5.6178.1-111.487.2000115.1
337A33.3Very low33.1Very low91 Ų91142.1 Ų142.175%0.75278%0.776SS**SBendtrans-90.95.8-169.100000115.5
338S31.5Very low32.7Very low106 Ų106138.2 Ų138.274%0.74178%0.776SS**  trans-141.481.1178.1-174.20000112.5
339R27.9Very low32.6Very low248 Ų248138 Ų13894%0.93677%0.774SS**  trans-147.795.2149-73.3-160.6-171.6-161.42.3110
340I30.4Very low32.2Very low162 Ų162138.6 Ų138.683%0.83178%0.778SS**  trans-111.7136.9152.1-65.3179.4000105.9
341P32.6Very low31.9Very low123 Ų123143.7 Ų143.780%0.79980%0.797SS**PPolyproline II helixtrans-84.2126.4-159.131.7-31000111.6
342L27.9Very low31.9Very low180 Ų180142.7 Ų142.794%0.94281%0.805SS**PPolyproline II helixtrans-99.9136.9163.8-88.8166.3000110.6
343Q26.9Very low31.7Very low178 Ų178145.6 Ų145.683%0.83281%0.814SS**PPolyproline II helixtrans-75.4142.7-167.8-166.71703.400112.2
344S28Very low31.5Very low94 Ų94145 Ų14566%0.65782%0.816SS**  trans52.8124.6158.7680000119.5
345Y27.3Very low31.9Very low228 Ų228148.2 Ų148.289%0.89483%0.825SS**  -173.6117.8125-103.9-76.4000109.3
346S33.2Very low32Very low118 Ų118149.9 Ų149.983%0.82584%0.835SS**PPolyproline II helixtrans-81.3133.8170.2-55.40000109.9
347P32.4Very low32.3Very low125 Ų125146.8 Ų146.881%0.81283%0.832SS**PPolyproline II helixtrans-99.7128.5164.530.7-20.1000111.1
348V31Very low32.7Very low136 Ų136148.6 Ų148.682%0.82484%0.836SS**PPolyproline II helixtrans-57.9135.8173.8169.90000111.3
349I31.8Very low33.2Very low162 Ų162149.7 Ų149.783%0.83184%0.838SS**PPolyproline II helixtrans-70122.9169.6-68.2166.2000108.7
350S29.7Very low33.9Very low113 Ų113147.1 Ų147.179%0.7984%0.836SS**  trans-124.4121.4166-167.20000110.4
351R37.4Very low34.7Very low244 Ų244145.5 Ų145.592%0.92184%0.835SS**  trans-73.3133172.8-86175.6162.2173.3-5.4109.6
352G32.8Very low35.6Very low81 Ų81145.7 Ų145.784%0.83584%0.836SS**  trans-154.7128168.800000110.9
353Q32.7Very low36.3Very low197 Ų197145.8 Ų145.892%0.92183%0.831SS**  trans-85.1155.3-162.3-158.3160.8-43.600113.4
354A35.9Very low36.7Very low92 Ų92149.1 Ų149.176%0.7685%0.853SS**  trans-75.2163-179.500000114.7
355P40.3Very low37.2Very low130 Ų130151.9 Ų151.984%0.84486%0.863SS**  trans-123.9148.414929.2-12.4000114.3
356L35.2Very low37.7Very low180 Ų180147.8 Ų147.894%0.94286%0.862SS**PPolyproline II helixtrans-71.3151.5-174.5-67.1140.8000113.7
357A39.3Very low37.9Very low94 Ų94149.5 Ų149.578%0.77786%0.864SS**PPolyproline II helixtrans-102.6143.5169.200000111
358P42.8Very low38.3Very low129 Ų129150.9 Ų150.984%0.83887%0.867SS**PPolyproline II helixtrans-88.5137.918013.23.5000112.8
359T42.6Very low38.7Very low129 Ų129151.9 Ų151.979%0.79187%0.869SS**PPolyproline II helixtrans-74132.9167.538.90000111.9
360H42Very low39.2Very low194 Ų194151.2 Ų151.290%0.89887%0.872SS**  trans-157.2112.8147.8-106-73000110.8
361T46.4Very low39.9Very low129 Ų129153.9 Ų153.979%0.79188%0.878SS**  trans-84161.1161.534.10000110.4
362P51.1Low40Very low127 Ų127147 Ų14783%0.82587%0.874SS**  trans-125.2143139.333-21.2000112.1
363E43.3Very low40.6Very low182 Ų182152.5 Ų152.585%0.8588%0.878SS**  trans-75.5142.6174.1-65.2-173141.300112.3
364L36.1Very low41.4Very low247 Ų247148.5 Ų148.5100%1.29387%0.874SS**  -165.80120.9-108.9147.8000110.3

Retrieved 364 of 364 residues in 1422 ms (Link to these results)