A0A096N2Y5_PAPAN Loading...

ETS variant transcription factor 3 like

AlphaFold DB , UniProt , Accession A0A096N2Y5, Species PAPAN (Papio anubis, Olive baboon), Gene ETV3L, Length 361 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
1M43.6Very low38.4Very low243 Ų243141.6 Ų141.6100%1.19784%0.835SS**  0980-58-47.5-176.800109.1
2H33Very low38.4Very low179 Ų179137.8 Ų137.883%0.82983%0.831SS**  trans-122.3122.3-178.1-156.6117.4000108S4H2-S4 PolarHBondContact O-N 3.17Å
3C35.4Very low38.1Very low119 Ų119138.4 Ų138.480%0.80483%0.827SS**  trans-91.486.1-176.1-67.50000111C5C3-C5 PolarHBondContact O-N 3.12Å; C3-C5 VanDerWaalsContact O-N 3.1Å
4S38.3Very low38.4Very low107 Ų107136.1 Ų136.175%0.74882%0.817SS**  trans-73.490.4171.440.20000111.3H2 L6H2-S4 PolarHBondContact O-N 3.17Å; S4-L6 VanDerWaalsContact C-N 3.31Å; S4-L6 PolarHBondContact O-N 3.2Å
5C43.1Very low38.4Very low93 Ų93130.4 Ų130.463%0.62880%0.798SS**  trans-85.371.8168.7-63.80000110.6C3C3-C5 PolarHBondContact O-N 3.12Å; C3-C5 VanDerWaalsContact O-N 3.1Å
6L38.5Very low38.4Very low167 Ų167133.2 Ų133.287%0.87481%0.807SS**  trans-69.1139161.9-106.3166.5000108.9S4S4-L6 VanDerWaalsContact C-N 3.31Å; S4-L6 PolarHBondContact O-N 3.2Å
7A44.3Very low38.3Very low95 Ų95135 Ų13579%0.78580%0.796SS**  trans-109.2129.517500000108.3
8E33.5Very low38.4Very low196 Ų196134.7 Ų134.792%0.91679%0.789SS**  trans-131132.7177.4-161.9151.3-154.300108.1
9G40.3Very low38.1Very low76 Ų76133.5 Ų133.578%0.78479%0.785SS**  trans-91.9128.5-159.900000113.6
10I35.5Very low38Very low156 Ų156129.7 Ų129.780%0.878%0.775SS**  trans-126127.4163.2-58.7179.3000107.5A12I10-A12 PolarHBondContact O-N 3.1Å; I10-A12 VanDerWaalsContact O-N 3.12Å
11P37.1Very low38.5Very low127 Ų127126.7 Ų126.783%0.82576%0.755SS**  trans-72.7104.617928.9-33.3000110.5N13P11-N13 PolarHBondContact O-N 3.17Å
12A37.9Very low38.4Very low95 Ų95119.5 Ų119.579%0.78573%0.734SS**  trans-71.2114.8172.500000110.4I10I10-A12 PolarHBondContact O-N 3.1Å; I10-A12 VanDerWaalsContact O-N 3.12Å
13N34.9Very low38.9Very low146 Ų146115.7 Ų115.778%0.78172%0.715SS**  trans-62.5121.5177.8-178.17.9000111.1P11 G15P11-N13 PolarHBondContact O-N 3.17Å; N13-G15 PolarHBondContact O-N 3.42Å
14P42.4Very low39.4Very low106 Ų106110.4 Ų110.469%0.68868%0.679SS**  trans-80.652.2-176.334.7-37.3000113.3
15G38.1Very low39.5Very low51 Ų51110.3 Ų110.353%0.52667%0.67SS.*  trans-81.6148.8173.700000113.1N13N13-G15 PolarHBondContact O-N 3.42Å
16N38Very low39.7Very low175 Ų175109.9 Ų109.994%0.93666%0.656SS**  trans59.749.7172.7-67.928.7000116.8
17W37.8Very low40Very low164 Ų164102.8 Ų102.862%0.62162%0.621SS**PPolyproline II helixtrans-93.9141.914664.2-75.3000109.2P19W17-P19 VanDerWaalsContact O-CD 3.27Å; W17-P19 WeakPolarHBondContact O-CD 3.24Å
18I39Very low40.1Very low130 Ų130105 Ų10567%0.66761%0.61SS**PPolyproline II helixtrans-74.1118.1-176.2-58.5175.5000109.4G20I18-G20 PolarHBondContact O-N 3.26Å
19P33.8Very low40.7Very low112 Ų11299.6 Ų99.673%0.72758%0.584SS**THydrogen-bonded Turntrans-71.8119.1175.4-14.330.9000109.9W17W17-P19 VanDerWaalsContact O-CD 3.27Å; W17-P19 WeakPolarHBondContact O-CD 3.24Å
20G36.4Very low40.9Very low56 Ų5699.8 Ų99.858%0.57758%0.578SS**THydrogen-bonded Turntrans149.3-34.3175.900000114.4I18 A22I18-G20 PolarHBondContact O-N 3.26Å; G20-A22 PolarHBondContact O-N 2.92Å; G20-A22 VanDerWaalsContact O-N 3.09Å
21L47.6Very low41.3Very low68 Ų6897.5 Ų97.536%0.35656%0.564SS.*  trans-85.477.1173.5-81.7165.3000111F23 M167L21-F23 VanDerWaalsContact C-N 3.28Å; L21-F23 HydrophobicContact CB-CD2 4.27Å; L21-F23 HydrophobicContact CB-CE2 3.72Å; L21-F23 HydrophobicContact CB-CZ 4.14Å; L21-F23 HydrophobicContact CD1-CE2 4.46Å; L21-F23 HydrophobicContact CD1-CZ 4.32Å; L21-F23 HydrophobicContact CD2-CZ 4.27Å; L21-F23 HydrophobicContact CG-CZ 4.49Å; L21-F23 VanDerWaalsContact O-CD2 3.3Å; L21-F23 WeakPolarHBondContact O-CD2 3.47Å; L21-F23 PolarHBondContact O-N 3.43Å; L21-M167 HydrophobicContact CD1-SD 4.24Å; L21-M167 HydrophobicContact CD2-CE 3.56Å; L21-M167 HydrophobicContact CD2-SD 4.27Å; L21-M167 HydrophobicContact CG-CE 3.78Å; L21-M167 HydrophobicContact CG-SD 3.87Å
22A41.9Very low41.8Very low91 Ų9192.6 Ų92.675%0.75253%0.532SS*.  trans-7081.5171.800000110.9G20G20-A22 PolarHBondContact O-N 2.92Å; G20-A22 VanDerWaalsContact O-N 3.09Å
23F42.1Very low42.3Very low99 Ų9990.8 Ų90.843%0.43451%0.514SS..  trans-66.4134.7169.4-62.9-78.7000109.7L21 A27 Y28L21-F23 VanDerWaalsContact C-N 3.28Å; L21-F23 HydrophobicContact CB-CD2 4.27Å; L21-F23 HydrophobicContact CB-CE2 3.72Å; L21-F23 HydrophobicContact CB-CZ 4.14Å; L21-F23 HydrophobicContact CD1-CE2 4.46Å; L21-F23 HydrophobicContact CD1-CZ 4.32Å; L21-F23 HydrophobicContact CD2-CZ 4.27Å; L21-F23 HydrophobicContact CG-CZ 4.49Å; L21-F23 VanDerWaalsContact O-CD2 3.3Å; L21-F23 WeakPolarHBondContact O-CD2 3.47Å; L21-F23 PolarHBondContact O-N 3.43Å; F23-A27 HydrophobicContact CB-CB 4.15Å; F23-Y28 HydrophobicContact CB-CD2 3.98Å; F23-Y28 HydrophobicContact CB-CE2 3.81Å; F23-Y28 HydrophobicContact CD2-CE2 4.01Å; F23-Y28 HydrophobicContact CG-CE2 4.42Å; F23-Y28 WeakPolarHBondContact O-CD2 3.3Å
24P47.2Very low43Very low9 Ų988.9 Ų88.96%0.05851%0.51CS..  trans-61.4158.8-174-30.939.2000115.9W26 A27 Y28 N128 Y129 W132P24-W26 PolarHBondContact O-N 2.98Å; P24-A27 WeakPolarHBondContact O-CA 3.38Å; P24-A27 WeakPolarHBondContact O-CB 3.48Å; P24-A27 PolarHBondContact O-N 2.77Å; P24-Y28 PolarHBondContact O-N 2.63Å; P24-N128 HydrophobicContact CB-CB 4.41Å; P24-N128 WeakPolarHBondContact CB-O 3.36Å; P24-N128 WeakPolarHBondContact CB-OD1 3.15Å; P24-N128 HydrophobicContact CG-CB 3.83Å; P24-N128 WeakPolarHBondContact CG-O 3.32Å; P24-Y129 HydrophobicContact CG-CD2 3.76Å; P24-Y129 HydrophobicContact CG-CE2 4.16Å; P24-W132 HydrophobicContact CB-CZ2 3.57Å; P24-W132 HydrophobicContact CG-CZ2 3.88Å
25D38.9Very low43.6Very low104 Ų10486.5 Ų86.556%0.55651%0.505SS*.THydrogen-bonded Turntrans-57.3-11.1-172.4-80.327.2000116.5Y28 K29D25-Y28 CarbonylContact O-C 3.43Å; D25-K29 VanDerWaalsContact O-CE 3.31Å; D25-K29 WeakPolarHBondContact O-CE 3.01Å; D25-K29 WeakPolarHBondContact O-CG 3.48Å; D25-K29 PolarHBondContact O-N 3Å; D25-K29 PolarHBondContact O-NZ 3.44Å
26W47.9Very low44.8Very low85 Ų8585.6 Ų85.632%0.32249%0.49SS..THydrogen-bonded Turntrans-87-27.6169.173.6-117.6000113.4P24 W42 H43 V127 N128P24-W26 PolarHBondContact O-N 2.98Å; W26-W42 AromaticContact CH2-CH2 3.64Å; W26-W42 HydrophobicContact CH2-CH2 3.64Å; W26-W42 AromaticContact CH2-CZ2 3.58Å; W26-W42 HydrophobicContact CH2-CZ2 3.58Å; W26-W42 AromaticContact CZ3-CH2 3.67Å; W26-W42 HydrophobicContact CZ3-CH2 3.67Å; W26-W42 AromaticContact CZ3-CZ2 3.48Å; W26-W42 HydrophobicContact CZ3-CZ2 3.48Å; W26-W42 VanDerWaalsContact CZ3-CZ2 3.48Å; W26-H43 AromaticContact CZ3-CE1 3.83Å; W26-H43 AromaticContact CZ3-NE2 3.7Å; W26-V127 HydrophobicContact CZ2-CG1 4.1Å; W26-V127 WeakPolarHBondContact CZ2-O 3.02Å; W26-V127 PolarHBondContact NE1-O 3.34Å; W26-N128 HydrophobicContact CH2-CB 4.47Å; W26-N128 HydrophobicContact CZ2-CB 3.83Å; W26-N128 VanDerWaalsContact CZ2-OD1 3.28Å; W26-N128 WeakPolarHBondContact CZ2-OD1 3.27Å; W26-N128 PolarHBondContact NE1-OD1 2.68Å
27A44.8Very low46.4Very low18 Ų1884.6 Ų84.615%0.14947%0.473CS..THydrogen-bonded Turntrans-70.9-46.4167.900000109.8F23 P24 K29 S32F23-A27 HydrophobicContact CB-CB 4.15Å; P24-A27 WeakPolarHBondContact O-CA 3.38Å; P24-A27 WeakPolarHBondContact O-CB 3.48Å; P24-A27 PolarHBondContact O-N 2.77Å; A27-K29 VanDerWaalsContact C-N 3.35Å; A27-K29 PolarHBondContact O-N 3.26Å; A27-S32 VanDerWaalsContact O-CB 3.32Å; A27-S32 WeakPolarHBondContact O-CB 3.48Å
28Y46.3Very low48.5Very low140 Ų14082.9 Ų82.955%0.54947%0.472SS..THydrogen-bonded Turntrans-92.250.3171.5-74-59.3000113.7F23 P24 D25F23-Y28 HydrophobicContact CB-CD2 3.98Å; F23-Y28 HydrophobicContact CB-CE2 3.81Å; F23-Y28 HydrophobicContact CD2-CE2 4.01Å; F23-Y28 HydrophobicContact CG-CE2 4.42Å; F23-Y28 WeakPolarHBondContact O-CD2 3.3Å; P24-Y28 PolarHBondContact O-N 2.63Å; D25-Y28 CarbonylContact O-C 3.43Å
29K46.6Very low50.8Low84 Ų8477 Ų7737%0.36544%0.442SS..  trans-69.9142.8155.7-74.5-70.1165.2-106.90109.6D25 A27 E31 S32D25-K29 VanDerWaalsContact O-CE 3.31Å; D25-K29 WeakPolarHBondContact O-CE 3.01Å; D25-K29 WeakPolarHBondContact O-CG 3.48Å; D25-K29 PolarHBondContact O-N 3Å; D25-K29 PolarHBondContact O-NZ 3.44Å; A27-K29 VanDerWaalsContact C-N 3.35Å; A27-K29 PolarHBondContact O-N 3.26Å; K29-E31 HydrophobicContact CB-CG 4.13Å; K29-E31 PolarHBondContact O-N 3.24Å; K29-S32 WeakPolarHBondContact O-CA 3.47Å; K29-S32 VanDerWaalsContact O-CB 3.29Å; K29-S32 WeakPolarHBondContact O-CB 3.32Å; K29-S32 PolarHBondContact O-N 2.81Å
30A43.9Very low53.6Low80 Ų8076 Ų7666%0.66143%0.428SS*.G310 helixtrans-60.4-34.4176.800000111.3S32 S33A30-S32 PolarHBondContact O-N 3.1Å; A30-S33 VanDerWaalsContact O-CB 3.29Å; A30-S33 WeakPolarHBondContact O-CB 3.5Å; A30-S33 PolarHBondContact O-N 3.43Å; A30-S33 PolarHBondContact O-OG 3.01Å
31E45.3Very low56.4Low107 Ų10773.5 Ų73.550%0.540%0.401SS..G310 helixtrans-72.5-5.1171.467.4-84.7-163.900114.4K29 S36K29-E31 HydrophobicContact CB-CG 4.13Å; K29-E31 PolarHBondContact O-N 3.24Å; E31-S36 WeakPolarHBondContact O-CB 3.37Å; E31-S36 PolarHBondContact O-OG 3.41Å
32S46.6Very low58.6Low24 Ų2470.7 Ų70.717%0.16839%0.385CS..G310 helixtrans-95.1-5.7169-68.60000113.6A27 K29 A30A27-S32 VanDerWaalsContact O-CB 3.32Å; A27-S32 WeakPolarHBondContact O-CB 3.48Å; K29-S32 WeakPolarHBondContact O-CA 3.47Å; K29-S32 VanDerWaalsContact O-CB 3.29Å; K29-S32 WeakPolarHBondContact O-CB 3.32Å; K29-S32 PolarHBondContact O-N 2.81Å; A30-S32 PolarHBondContact O-N 3.1Å
33S48.4Very low61Low58 Ų5867.7 Ų67.741%0.40636%0.356SS..SBendtrans-48.9148.4-173.3-62.90000114.4A30 G35 S36A30-S33 VanDerWaalsContact O-CB 3.29Å; A30-S33 WeakPolarHBondContact O-CB 3.5Å; A30-S33 PolarHBondContact O-N 3.43Å; A30-S33 PolarHBondContact O-OG 3.01Å; S33-G35 PolarHBondContact O-N 3.16Å; S33-S36 WeakPolarHBondContact O-CB 3.44Å; S33-S36 PolarHBondContact O-N 2.94Å
34P49.7Very low63.5Low106 Ų10663.2 Ų63.269%0.68834%0.336SS*.THydrogen-bonded Turntrans-60.585.8176.3-24.535.6000113.8
35G54.8Low65.8Low56 Ų5662.8 Ų62.858%0.57733%0.333SS*.THydrogen-bonded Turntrans144.1-23.4-172.300000112.8S33S33-G35 PolarHBondContact O-N 3.16Å
36S64Low68.4Low31 Ų3159.9 Ų59.922%0.21732%0.318CS..  trans-62.1137.1173.7175.30000112E31 S33 Q38 I39E31-S36 WeakPolarHBondContact O-CB 3.37Å; E31-S36 PolarHBondContact O-OG 3.41Å; S33-S36 WeakPolarHBondContact O-CB 3.44Å; S33-S36 PolarHBondContact O-N 2.94Å; S36-Q38 PolarHBondContact O-N 3.48Å; S36-Q38 PolarHBondContact OG-N 2.88Å; S36-I39 WeakPolarHBondContact O-CG2 3.22Å
37R70.6Confident70.6Confident154 Ų15457 Ų5758%0.58131%0.308SS*.THydrogen-bonded Turntrans-69.1-10172.2-61.8-177.5-176.9-147.2-0.3112.7K84 C85R37-K84 WeakPolarHBondContact O-CD 3.49Å; R37-K84 WeakPolarHBondContact O-CE 3.21Å; R37-K84 PolarHBondContact O-NZ 2.8Å; R37-C85 VanDerWaalsContact CZ-SG 3.52Å
38Q82.1Confident73Confident129 Ų12956.3 Ų56.360%0.60330%0.302SS*.THydrogen-bonded Turntrans-93-7.4-177.1-176.659.6-900114.4S36S36-Q38 PolarHBondContact O-N 3.48Å; S36-Q38 PolarHBondContact OG-N 2.88Å
39I88.3Confident75.3Confident7 Ų750.2 Ų50.24%0.03628%0.278CS..  trans-48.2144.2174.7-169.3172.1000113.5S36 H43 F44 W80 R83 K84S36-I39 WeakPolarHBondContact O-CG2 3.22Å; I39-H43 HydrophobicContact CD1-CB 4.24Å; I39-H43 HydrophobicContact CG1-CB 3.94Å; I39-F44 HydrophobicContact CD1-CB 4.05Å; I39-F44 HydrophobicContact CG1-CB 4.44Å; I39-W80 HydrophobicContact CG2-CZ3 4.09Å; I39-W80 WeakPolarHBondContact O-CH2 3.49Å; I39-R83 HydrophobicContact CG2-CG 3.67Å; I39-K84 HydrophobicContact CG2-CD 4.2Å; I39-K84 PolarHBondContact O-NZ 3.45Å
40Q92.3Very high77.3Confident91 Ų9154 Ų5443%0.42530%0.297SS..  trans-91.8153.3177.2-55.2-174.518.100111.9W42 H43 F44Q40-W42 VanDerWaalsContact C-N 3.31Å; Q40-W42 PolarHBondContact O-N 3.08Å; Q40-H43 PolarHBondContact O-N 2.75Å; Q40-F44 PolarHBondContact O-N 3Å
41L94.9Very high79.6Confident2 Ų253.8 Ų53.81%0.0128%0.281CS..Hα-helixtrans-58.6-38.8-174.4173.464.3000113.1F44 I45 W80 L94 A97 L98 Y101L41-F44 HydrophobicContact CD1-CD1 4.21Å; L41-F44 PolarHBondContact O-N 2.83Å; L41-I45 HydrophobicContact CD1-CD1 3.94Å; L41-I45 HydrophobicContact CD1-CG1 4.21Å; L41-I45 HydrophobicContact CG-CD1 3.92Å; L41-I45 WeakPolarHBondContact O-CG1 3.43Å; L41-I45 PolarHBondContact O-N 2.6Å; L41-W80 HydrophobicContact CB-CH2 3.99Å; L41-W80 HydrophobicContact CB-CZ2 3.74Å; L41-W80 HydrophobicContact CD1-CD2 3.77Å; L41-W80 HydrophobicContact CD1-CE3 4.2Å; L41-W80 HydrophobicContact CD1-CG 3.97Å; L41-W80 HydrophobicContact CD1-CZ2 4.34Å; L41-W80 VanDerWaalsContact N-CH2 3.33Å; L41-L94 HydrophobicContact CD1-CD1 3.89Å; L41-L94 HydrophobicContact CD1-CD2 4.18Å; L41-L94 HydrophobicContact CD1-CG 3.82Å; L41-L94 HydrophobicContact CD2-CD2 3.96Å; L41-L94 HydrophobicContact CD2-CG 3.86Å; L41-A97 HydrophobicContact CD2-CB 3.65Å; L41-L98 HydrophobicContact CD2-CD2 3.88Å; L41-L98 HydrophobicContact CD2-CG 4.25Å; L41-L98 HydrophobicContact CG-CD2 4.46Å; L41-Y101 HydrophobicContact CB-CE2 4.09Å; L41-Y101 HydrophobicContact CD2-CE2 4.24Å; L41-Y101 HydrophobicContact CG-CE2 4.36Å
42W94.1Very high81.7Confident9 Ų954.9 Ų54.93%0.03429%0.287CS..Hα-helixtrans-72.8-36.8-17870.9-91.7000112.8W26 Q40 F44 I45 L46 Y101 I106 F119 L124W26-W42 AromaticContact CH2-CH2 3.64Å; W26-W42 HydrophobicContact CH2-CH2 3.64Å; W26-W42 AromaticContact CH2-CZ2 3.58Å; W26-W42 HydrophobicContact CH2-CZ2 3.58Å; W26-W42 AromaticContact CZ3-CH2 3.67Å; W26-W42 HydrophobicContact CZ3-CH2 3.67Å; W26-W42 AromaticContact CZ3-CZ2 3.48Å; W26-W42 HydrophobicContact CZ3-CZ2 3.48Å; W26-W42 VanDerWaalsContact CZ3-CZ2 3.48Å; Q40-W42 VanDerWaalsContact C-N 3.31Å; Q40-W42 PolarHBondContact O-N 3.08Å; W42-F44 VanDerWaalsContact C-N 3.35Å; W42-I45 PolarHBondContact O-N 2.61Å; W42-L46 HydrophobicContact CE3-CD1 3.79Å; W42-L46 HydrophobicContact CZ3-CD1 3.79Å; W42-L46 PolarHBondContact O-N 2.79Å; W42-L46 VanDerWaalsContact O-N 3.08Å; W42-Y101 HydrophobicContact CB-CD2 4.34Å; W42-Y101 HydrophobicContact CB-CE2 3.94Å; W42-Y101 AromaticContact CD1-CE1 3.88Å; W42-Y101 AromaticContact CD1-CZ 3.65Å; W42-Y101 HydrophobicContact CG-CE2 4.49Å; W42-I106 HydrophobicContact CB-CG2 3.97Å; W42-I106 HydrophobicContact CD2-CG2 4.14Å; W42-I106 HydrophobicContact CG-CG2 3.87Å; W42-F119 HydrophobicContact CB-CE1 4.23Å; W42-F119 HydrophobicContact CE3-CE1 4.45Å; W42-L124 HydrophobicContact CE3-CD2 4.28Å; W42-L124 HydrophobicContact CH2-CD2 3.85Å; W42-L124 HydrophobicContact CZ2-CD2 4.28Å; W42-L124 HydrophobicContact CZ3-CD1 4.4Å; W42-L124 HydrophobicContact CZ3-CD2 3.86Å
43H92Very high84Confident29 Ų2959.5 Ų59.513%0.13431%0.306CS..Hα-helixtrans-60.2-45.4168.8-70.6123.9000111W26 I39 Q40 I45 L46 E47W26-H43 AromaticContact CZ3-CE1 3.83Å; W26-H43 AromaticContact CZ3-NE2 3.7Å; I39-H43 HydrophobicContact CD1-CB 4.24Å; I39-H43 HydrophobicContact CG1-CB 3.94Å; Q40-H43 PolarHBondContact O-N 2.75Å; H43-I45 VanDerWaalsContact C-N 3.33Å; H43-I45 PolarHBondContact O-N 3.07Å; H43-L46 PolarHBondContact O-N 2.82Å; H43-E47 PolarHBondContact O-N 3Å
44F95.1Very high86.2Confident4 Ų458.3 Ų58.32%0.01829%0.293CS..Hα-helixtrans-61.9-38177.3169.4-99.9000112.7I39 Q40 L41 W42 E47 L48 L79 W80 R83I39-F44 HydrophobicContact CD1-CB 4.05Å; I39-F44 HydrophobicContact CG1-CB 4.44Å; Q40-F44 PolarHBondContact O-N 3Å; L41-F44 HydrophobicContact CD1-CD1 4.21Å; L41-F44 PolarHBondContact O-N 2.83Å; W42-F44 VanDerWaalsContact C-N 3.35Å; F44-E47 WeakPolarHBondContact O-CB 3.33Å; F44-E47 PolarHBondContact O-N 3Å; F44-L48 HydrophobicContact CD1-CD1 4.34Å; F44-L48 HydrophobicContact CE1-CD1 3.59Å; F44-L48 HydrophobicContact CE1-CG 4.1Å; F44-L48 HydrophobicContact CE2-CD1 4.46Å; F44-L48 HydrophobicContact CE2-CD2 4.13Å; F44-L48 HydrophobicContact CE2-CG 4.22Å; F44-L48 HydrophobicContact CZ-CD1 3.66Å; F44-L48 HydrophobicContact CZ-CD2 4Å; F44-L48 HydrophobicContact CZ-CG 3.91Å; F44-L48 WeakPolarHBondContact O-CG 3.4Å; F44-L48 PolarHBondContact O-N 2.81Å; F44-L79 HydrophobicContact CZ-CB 3.82Å; F44-W80 HydrophobicContact CB-CE3 3.87Å; F44-W80 HydrophobicContact CB-CZ3 3.64Å; F44-W80 HydrophobicContact CD1-CB 4.26Å; F44-W80 HydrophobicContact CD1-CD2 4.19Å; F44-W80 AromaticContact CD1-CE3 3.47Å; F44-W80 HydrophobicContact CD1-CE3 3.47Å; F44-W80 VanDerWaalsContact CD1-CE3 3.47Å; F44-W80 HydrophobicContact CD1-CZ3 4.15Å; F44-W80 HydrophobicContact CD2-CE3 4.13Å; F44-W80 HydrophobicContact CD2-CZ3 4.49Å; F44-W80 HydrophobicContact CE1-CB 3.69Å; F44-W80 HydrophobicContact CE1-CD2 4.48Å; F44-W80 AromaticContact CE1-CE3 3.99Å; F44-W80 HydrophobicContact CE1-CE3 3.99Å; F44-W80 HydrophobicContact CE1-CG 4.42Å; F44-W80 AromaticContact CG-CE3 3.53Å; F44-W80 HydrophobicContact CG-CE3 3.53Å; F44-W80 AromaticContact CG-CZ3 3.84Å; F44-W80 HydrophobicContact CG-CZ3 3.84Å; F44-W80 HydrophobicContact CZ-CB 4.2Å; F44-R83 HydrophobicContact CD2-CB 4.33Å; F44-R83 HydrophobicContact CD2-CG 4.11Å; F44-R83 HydrophobicContact CE2-CB 4.09Å; F44-R83 HydrophobicContact CE2-CG 4.34Å
45I96.4Very high88.3Confident0 Ų059.7 Ų59.70%029%0.285CS..Hα-helixtrans-65.4-40.5174.6-76.1167.8000111.5L41 W42 H43 E47 L48 L49 I58 F68 L98 F119L41-I45 HydrophobicContact CD1-CD1 3.94Å; L41-I45 HydrophobicContact CD1-CG1 4.21Å; L41-I45 HydrophobicContact CG-CD1 3.92Å; L41-I45 WeakPolarHBondContact O-CG1 3.43Å; L41-I45 PolarHBondContact O-N 2.6Å; W42-I45 PolarHBondContact O-N 2.61Å; H43-I45 VanDerWaalsContact C-N 3.33Å; H43-I45 PolarHBondContact O-N 3.07Å; I45-E47 VanDerWaalsContact C-N 3.34Å; I45-L48 PolarHBondContact O-N 2.93Å; I45-L49 HydrophobicContact CG2-CD1 3.74Å; I45-L49 WeakPolarHBondContact O-CB 3.49Å; I45-L49 WeakPolarHBondContact O-CD1 3.43Å; I45-L49 VanDerWaalsContact O-CG 3.31Å; I45-L49 WeakPolarHBondContact O-CG 3.26Å; I45-L49 PolarHBondContact O-N 2.89Å; I45-I58 HydrophobicContact CG2-CD1 3.86Å; I45-F68 HydrophobicContact CG2-CD2 4.34Å; I45-F68 HydrophobicContact CG2-CE1 4.35Å; I45-F68 HydrophobicContact CG2-CE2 3.72Å; I45-F68 HydrophobicContact CG2-CZ 3.72Å; I45-L98 HydrophobicContact CD1-CD2 3.65Å; I45-F119 HydrophobicContact CB-CZ 4.43Å; I45-F119 HydrophobicContact CG2-CE2 3.97Å; I45-F119 HydrophobicContact CG2-CZ 3.83Å
46L93.5Very high90.3Very high44 Ų4463.4 Ų63.423%0.2329%0.287CS..Hα-helixtrans-62.8-40.5172.9-69.4171.4000111.6W42 H43 L48 L49 Q50 W60 F119 F121W42-L46 HydrophobicContact CE3-CD1 3.79Å; W42-L46 HydrophobicContact CZ3-CD1 3.79Å; W42-L46 PolarHBondContact O-N 2.79Å; W42-L46 VanDerWaalsContact O-N 3.08Å; H43-L46 PolarHBondContact O-N 2.82Å; L46-L48 PolarHBondContact O-N 3.11Å; L46-L49 PolarHBondContact O-N 3.08Å; L46-Q50 PolarHBondContact O-N 3.01Å; L46-W60 HydrophobicContact CD2-CH2 3.82Å; L46-W60 HydrophobicContact CD2-CZ2 4.1Å; L46-F119 HydrophobicContact CD1-CE1 4.47Å; L46-F119 HydrophobicContact CD1-CZ 4.44Å; L46-F119 HydrophobicContact CD2-CD2 3.88Å; L46-F119 HydrophobicContact CD2-CE1 4.25Å; L46-F119 HydrophobicContact CD2-CE2 3.46Å; L46-F119 VanDerWaalsContact CD2-CE2 3.46Å; L46-F119 HydrophobicContact CD2-CG 4.44Å; L46-F119 HydrophobicContact CD2-CZ 3.67Å; L46-F119 HydrophobicContact CG-CE1 4.2Å; L46-F119 HydrophobicContact CG-CE2 4.02Å; L46-F119 HydrophobicContact CG-CZ 3.69Å; L46-F121 HydrophobicContact CD2-CE1 4.39Å; L46-F121 HydrophobicContact CD2-CZ 4.44Å
47E92.6Very high91.8Very high24 Ų2462 Ų6211%0.11228%0.277CS..Hα-helixtrans-62-41.9175.9-164.9-156129.500112.3H43 F44 I45 K51 R83H43-E47 PolarHBondContact O-N 3Å; F44-E47 WeakPolarHBondContact O-CB 3.33Å; F44-E47 PolarHBondContact O-N 3Å; I45-E47 VanDerWaalsContact C-N 3.34Å; E47-K51 WeakPolarHBondContact O-CD 3.43Å; E47-K51 WeakPolarHBondContact O-CG 3.41Å; E47-K51 IonicContact OE1-NZ 2.75Å; E47-K51 PolarHBondContact OE1-NZ 2.82Å; E47-R83 IonicContact OE1-CZ 3.32Å; E47-R83 IonicContact OE1-NH1 2.74Å; E47-R83 IonicContact OE1-NH2 3.15Å; E47-R83 PolarHBondContact OE1-NH2 2.92Å; E47-R83 IonicContact OE2-CZ 2.61Å; E47-R83 VanDerWaalsContact OE2-CZ 3.25Å; E47-R83 IonicContact OE2-NH1 3.2Å; E47-R83 PolarHBondContact OE2-NH1 3.2Å; E47-R83 IonicContact OE2-NH2 2.67Å; E47-R83 PolarHBondContact OE2-NH2 2.97Å
48L95.3Very high93.1Very high4 Ų454.7 Ų54.72%0.02125%0.249CC..Hα-helixtrans-65.5-39.5173.5-65-176000111.8F44 I45 L46 Q50 K51 F54 I58 V76 L79F44-L48 HydrophobicContact CD1-CD1 4.34Å; F44-L48 HydrophobicContact CE1-CD1 3.59Å; F44-L48 HydrophobicContact CE1-CG 4.1Å; F44-L48 HydrophobicContact CE2-CD1 4.46Å; F44-L48 HydrophobicContact CE2-CD2 4.13Å; F44-L48 HydrophobicContact CE2-CG 4.22Å; F44-L48 HydrophobicContact CZ-CD1 3.66Å; F44-L48 HydrophobicContact CZ-CD2 4Å; F44-L48 HydrophobicContact CZ-CG 3.91Å; F44-L48 WeakPolarHBondContact O-CG 3.4Å; F44-L48 PolarHBondContact O-N 2.81Å; I45-L48 PolarHBondContact O-N 2.93Å; L46-L48 PolarHBondContact O-N 3.11Å; L48-Q50 VanDerWaalsContact C-N 3.3Å; L48-Q50 PolarHBondContact O-N 3.23Å; L48-K51 PolarHBondContact O-N 3.38Å; L48-F54 HydrophobicContact CB-CD2 4.45Å; L48-F54 HydrophobicContact CD2-CD2 3.5Å; L48-F54 VanDerWaalsContact CD2-CD2 3.5Å; L48-F54 HydrophobicContact CD2-CE2 3.63Å; L48-F54 HydrophobicContact CD2-CG 3.99Å; L48-F54 HydrophobicContact CD2-CZ 4.22Å; L48-I58 HydrophobicContact CB-CG2 3.66Å; L48-I58 HydrophobicContact CD1-CG2 4.23Å; L48-V76 HydrophobicContact CD1-CG1 4.42Å; L48-V76 HydrophobicContact CD1-CG2 4.43Å; L48-L79 HydrophobicContact CD1-CD1 4.46Å; L48-L79 HydrophobicContact CD2-CD1 4.26Å
49L94.2Very high93.8Very high11 Ų1149.2 Ų49.26%0.05823%0.226CC..Hα-helixtrans-71-21.7-179.3-80.4166.9000114.4I45 L46 I58 W60 F68 F119I45-L49 HydrophobicContact CG2-CD1 3.74Å; I45-L49 WeakPolarHBondContact O-CB 3.49Å; I45-L49 WeakPolarHBondContact O-CD1 3.43Å; I45-L49 VanDerWaalsContact O-CG 3.31Å; I45-L49 WeakPolarHBondContact O-CG 3.26Å; I45-L49 PolarHBondContact O-N 2.89Å; L46-L49 PolarHBondContact O-N 3.08Å; L49-I58 HydrophobicContact CD1-CD1 4.39Å; L49-I58 HydrophobicContact CD2-CD1 4.37Å; L49-I58 HydrophobicContact CD2-CG1 3.9Å; L49-I58 HydrophobicContact CG-CD1 4.1Å; L49-I58 HydrophobicContact CG-CG1 4.17Å; L49-W60 HydrophobicContact CB-CZ2 3.78Å; L49-W60 HydrophobicContact CD1-CD2 4.42Å; L49-W60 HydrophobicContact CD1-CE3 4.42Å; L49-W60 HydrophobicContact CD1-CH2 3.78Å; L49-W60 HydrophobicContact CD1-CZ2 3.77Å; L49-W60 HydrophobicContact CD1-CZ3 4.11Å; L49-W60 HydrophobicContact CD2-CD2 4.16Å; L49-W60 HydrophobicContact CD2-CG 4.29Å; L49-W60 HydrophobicContact CG-CZ2 4.28Å; L49-W60 PolarHBondContact O-NE1 3.14Å; L49-F68 HydrophobicContact CD1-CB 3.76Å; L49-F68 HydrophobicContact CD1-CD1 4.09Å; L49-F68 HydrophobicContact CD1-CD2 4.01Å; L49-F68 HydrophobicContact CD1-CG 3.7Å; L49-F68 HydrophobicContact CD2-CB 3.89Å; L49-F68 HydrophobicContact CG-CB 4.5Å; L49-F119 HydrophobicContact CD1-CE2 3.99Å
50Q90.4Very high94.1Very high163 Ų16353.1 Ų53.176%0.76224%0.24SC*.Hα-helixtrans-80-21.4172.8-169.7174.914.100112.3L46 L48L46-Q50 PolarHBondContact O-N 3.01Å; L48-Q50 VanDerWaalsContact C-N 3.3Å; L48-Q50 PolarHBondContact O-N 3.23Å
51K90.8Very high94.2Very high76 Ų7652 Ų5233%0.3324%0.235SC..  trans-95.7112.7-172.1-79.2174172.1-176.70111.5E47 L48 E53 F54E47-K51 WeakPolarHBondContact O-CD 3.43Å; E47-K51 WeakPolarHBondContact O-CG 3.41Å; E47-K51 IonicContact OE1-NZ 2.75Å; E47-K51 PolarHBondContact OE1-NZ 2.82Å; L48-K51 PolarHBondContact O-N 3.38Å; K51-E53 HydrophobicContact CB-CG 3.9Å; K51-E53 PolarHBondContact O-N 2.79Å; K51-F54 HydrophobicContact CB-CD2 3.78Å; K51-F54 HydrophobicContact CB-CE2 4.37Å; K51-F54 HydrophobicContact CD-CD2 4.19Å; K51-F54 HydrophobicContact CD-CE2 4.02Å; K51-F54 PolarHBondContact O-N 3.2Å
52E90.6Very high93.9Very high130 Ų13059 Ų5961%0.60727%0.267SS*.G310 helixtrans-59.9-34-175-165.9158.3-111.800113.1F54 R55E52-F54 PolarHBondContact O-N 3.27Å; E52-F54 VanDerWaalsContact O-N 3.14Å; E52-R55 WeakPolarHBondContact O-CB 3.45Å; E52-R55 PolarHBondContact O-N 3.2Å; E52-R55 VanDerWaalsContact O-N 3.08Å; E52-R55 IonicContact OE1-CZ 3.06Å; E52-R55 IonicContact OE1-NH1 2.63Å; E52-R55 PolarHBondContact OE1-NH1 3.13Å; E52-R55 IonicContact OE1-NH2 3.96Å; E52-R55 PolarHBondContact OE1-NH2 3.27Å
53E94Very high93.3Very high122 Ų12262.2 Ų62.257%0.5730%0.304SS*.G310 helixtrans-49.4-35.5171.452.6176.8-171.300113.5K51 H56K51-E53 HydrophobicContact CB-CG 3.9Å; K51-E53 PolarHBondContact O-N 2.79Å; E53-H56 PolarHBondContact O-CE1 2.82Å; E53-H56 PolarHBondContact O-ND1 2.91Å
54F94.3Very high92.9Very high33 Ų3364.7 Ų64.715%0.14532%0.316CS..G310 helixtrans-92.64.9-177.1-64.1-59.1000114.6L48 K51 E52 H56 V57 I58 L79L48-F54 HydrophobicContact CB-CD2 4.45Å; L48-F54 HydrophobicContact CD2-CD2 3.5Å; L48-F54 VanDerWaalsContact CD2-CD2 3.5Å; L48-F54 HydrophobicContact CD2-CE2 3.63Å; L48-F54 HydrophobicContact CD2-CG 3.99Å; L48-F54 HydrophobicContact CD2-CZ 4.22Å; K51-F54 HydrophobicContact CB-CD2 3.78Å; K51-F54 HydrophobicContact CB-CE2 4.37Å; K51-F54 HydrophobicContact CD-CD2 4.19Å; K51-F54 HydrophobicContact CD-CE2 4.02Å; K51-F54 PolarHBondContact O-N 3.2Å; E52-F54 PolarHBondContact O-N 3.27Å; E52-F54 VanDerWaalsContact O-N 3.14Å; F54-H56 PolarHBondContact O-N 3.19Å; F54-V57 HydrophobicContact CD1-CG2 4.42Å; F54-V57 WeakPolarHBondContact O-CA 3.37Å; F54-V57 WeakPolarHBondContact O-CB 3.44Å; F54-V57 PolarHBondContact O-N 2.99Å; F54-I58 HydrophobicContact CB-CG2 4.35Å; F54-I58 PolarHBondContact O-N 2.71Å; F54-I58 VanDerWaalsContact O-O 3.06Å; F54-L79 HydrophobicContact CD1-CD1 3.89Å; F54-L79 HydrophobicContact CE1-CD1 3.63Å; F54-L79 HydrophobicContact CE1-CD2 4.21Å; F54-L79 HydrophobicContact CZ-CD1 4.27Å; F54-L79 HydrophobicContact CZ-CD2 4.41Å
55R94.5Very high92.4Very high134 Ų13470.7 Ų70.751%0.50634%0.339SS..THydrogen-bonded Turntrans-59.2-18.1-179.9-80.4-171.1-178.3149.713.5115.2E52 I58 K71E52-R55 WeakPolarHBondContact O-CB 3.45Å; E52-R55 PolarHBondContact O-N 3.2Å; E52-R55 VanDerWaalsContact O-N 3.08Å; E52-R55 IonicContact OE1-CZ 3.06Å; E52-R55 IonicContact OE1-NH1 2.63Å; E52-R55 PolarHBondContact OE1-NH1 3.13Å; E52-R55 IonicContact OE1-NH2 3.96Å; E52-R55 PolarHBondContact OE1-NH2 3.27Å; R55-I58 WeakPolarHBondContact CA-O 3.45Å; R55-K71 PolarHBondContact O-NZ 3.43Å
56H95.6Very high92.1Very high135 Ų13570.9 Ų70.963%0.62534%0.341SS*.THydrogen-bonded Turntrans-80.6-27.2172.365.8-82.2000112.8E53 F54 K71E53-H56 PolarHBondContact O-CE1 2.82Å; E53-H56 PolarHBondContact O-ND1 2.91Å; F54-H56 PolarHBondContact O-N 3.19Å; H56-K71 WeakPolarHBondContact O-CB 3.2Å; H56-K71 WeakPolarHBondContact O-CD 3.36Å
57V97.4Very high92.2Very high1 Ų169.1 Ų69.11%0.00633%0.332CS..THydrogen-bonded Turntrans-88.8-45.8179.1174.50000111.7F54 K71 D72 E75 V76F54-V57 HydrophobicContact CD1-CG2 4.42Å; F54-V57 WeakPolarHBondContact O-CA 3.37Å; F54-V57 WeakPolarHBondContact O-CB 3.44Å; F54-V57 PolarHBondContact O-N 2.99Å; V57-K71 WeakPolarHBondContact O-CA 3.27Å; V57-K71 WeakPolarHBondContact O-CB 3.36Å; V57-K71 PolarHBondContact O-N 3.23Å; V57-D72 HydrophobicContact CG1-CB 4.38Å; V57-D72 PolarHBondContact O-N 2.86Å; V57-E75 HydrophobicContact CB-CG 4.41Å; V57-E75 HydrophobicContact CG1-CB 4.11Å; V57-E75 HydrophobicContact CG1-CG 3.9Å; V57-E75 HydrophobicContact CG2-CB 4.26Å; V57-E75 HydrophobicContact CG2-CG 3.56Å; V57-V76 HydrophobicContact CG1-CB 4.47Å; V57-V76 HydrophobicContact CG1-CG2 3.41Å; V57-V76 VanDerWaalsContact CG1-CG2 3.41Å
58I97.6Very high92.4Very high1 Ų168 Ų681%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-151.7136.4-175.8-168.4177.4000109.8I45 L48 L49 F54 R55 F68 V69 I70 V76I45-I58 HydrophobicContact CG2-CD1 3.86Å; L48-I58 HydrophobicContact CB-CG2 3.66Å; L48-I58 HydrophobicContact CD1-CG2 4.23Å; L49-I58 HydrophobicContact CD1-CD1 4.39Å; L49-I58 HydrophobicContact CD2-CD1 4.37Å; L49-I58 HydrophobicContact CD2-CG1 3.9Å; L49-I58 HydrophobicContact CG-CD1 4.1Å; L49-I58 HydrophobicContact CG-CG1 4.17Å; F54-I58 HydrophobicContact CB-CG2 4.35Å; F54-I58 PolarHBondContact O-N 2.71Å; F54-I58 VanDerWaalsContact O-O 3.06Å; R55-I58 WeakPolarHBondContact CA-O 3.45Å; I58-F68 HydrophobicContact CD1-CD2 3.95Å; I58-F68 HydrophobicContact CD1-CE2 4.08Å; I58-F68 HydrophobicContact CG1-CD2 4.14Å; I58-V69 WeakPolarHBondContact CA-O 3.47Å; I58-I70 HydrophobicContact CD1-CG1 3.74Å; I58-I70 HydrophobicContact CG1-CG1 3.91Å; I58-V76 HydrophobicContact CB-CG2 4.16Å; I58-V76 HydrophobicContact CD1-CG2 4.46Å
59A96.1Very high92.5Very high13 Ų1368.9 Ų68.911%0.10733%0.332CS..EExtended strand (participates in β ladder)trans-149153.2-176.600000112.5F68 V69A59-F68 CarbonylContact O-C 3.59Å; A59-F68 VanDerWaalsContact O-CA 3.26Å; A59-F68 WeakPolarHBondContact O-CA 3.41Å; A59-F68 WeakPolarHBondContact O-CB 3.46Å; A59-V69 PolarHBondContact N-O 2.63Å; A59-V69 PolarHBondContact O-N 2.82Å
60W95.5Very high92.7Very high90 Ų9068.4 Ų68.434%0.34133%0.329SS..EExtended strand (participates in β ladder)trans-61.5148.2162.6-61111.5000110.4L46 L49 F68 F119 F121L46-W60 HydrophobicContact CD2-CH2 3.82Å; L46-W60 HydrophobicContact CD2-CZ2 4.1Å; L49-W60 HydrophobicContact CB-CZ2 3.78Å; L49-W60 HydrophobicContact CD1-CD2 4.42Å; L49-W60 HydrophobicContact CD1-CE3 4.42Å; L49-W60 HydrophobicContact CD1-CH2 3.78Å; L49-W60 HydrophobicContact CD1-CZ2 3.77Å; L49-W60 HydrophobicContact CD1-CZ3 4.11Å; L49-W60 HydrophobicContact CD2-CD2 4.16Å; L49-W60 HydrophobicContact CD2-CG 4.29Å; L49-W60 HydrophobicContact CG-CZ2 4.28Å; L49-W60 PolarHBondContact O-NE1 3.14Å; W60-F68 HydrophobicContact CE3-CB 3.86Å; W60-F68 HydrophobicContact CZ3-CB 4.12Å; W60-F68 HydrophobicContact CZ3-CD1 4.3Å; W60-F119 AromaticContact CH2-CD2 3.73Å; W60-F119 HydrophobicContact CH2-CD2 3.73Å; W60-F119 HydrophobicContact CH2-CE2 4.07Å; W60-F119 AromaticContact CZ3-CD2 3.87Å; W60-F119 HydrophobicContact CZ3-CD2 3.87Å; W60-F119 HydrophobicContact CZ3-CE2 4.44Å; W60-F121 HydrophobicContact CH2-CE2 4.41Å; W60-F121 AromaticContact CH2-CZ 3.85Å; W60-F121 HydrophobicContact CH2-CZ 3.85Å; W60-F121 HydrophobicContact CZ3-CZ 4.37Å
61Q94.1Very high93.1Very high66 Ų6666.2 Ų66.231%0.30832%0.317SS..PPolyproline II helixtrans-87.6136.4172-72.1-74.128.300110.2E64 E67 V69 T116Q61-E64 HydrophobicContact CB-CB 4.47Å; Q61-E67 HydrophobicContact CB-CB 4.27Å; Q61-E67 HydrophobicContact CB-CG 4.23Å; Q61-E67 HydrophobicContact CG-CG 4Å; Q61-E67 PolarHBondContact N-O 2.86Å; Q61-V69 HydrophobicContact CG-CB 4.29Å; Q61-V69 HydrophobicContact CG-CG1 4.23Å; Q61-T116 HydrophobicContact CG-CG2 4.1Å
62Q88.7Confident93.4Very high149 Ų14965.8 Ų65.870%0.69632%0.319SS*.THydrogen-bonded Turntrans-64.6135.4177.7-172.562.39.300110.8E64 V175Q62-E64 VanDerWaalsContact C-N 3.26Å; Q62-E64 PolarHBondContact O-N 3.2Å; Q62-V175 VanDerWaalsContact NE2-CG1 3.34Å
63G79.9Confident93.8Very high78 Ų7860.6 Ų60.680%0.80430%0.296SS*.THydrogen-bonded Turntrans77-7.7176.400000116.6
64E84.1Confident94Very high81 Ų8159.6 Ų59.638%0.37930%0.295SS..SBendtrans-117.693.1-175.9-87.3-74176.300111.5Q61 Q62 G66 E67 K118Q61-E64 HydrophobicContact CB-CB 4.47Å; Q62-E64 VanDerWaalsContact C-N 3.26Å; Q62-E64 PolarHBondContact O-N 3.2Å; E64-G66 PolarHBondContact O-N 3.29Å; E64-G66 VanDerWaalsContact O-N 3.11Å; E64-E67 HydrophobicContact CB-CB 3.69Å; E64-E67 WeakPolarHBondContact O-CB 3.28Å; E64-E67 PolarHBondContact O-N 2.67Å; E64-K118 IonicContact OE2-NZ 2.75Å; E64-K118 PolarHBondContact OE2-NZ 3.03Å
65Y85.9Confident94.1Very high130 Ų13060.1 Ų60.151%0.5130%0.298SS..THydrogen-bonded Turntrans-56.2118.5-173.1177.8-120.2000113.1E67 K118 F121 L168Y65-E67 VanDerWaalsContact C-N 3.28Å; Y65-E67 PolarHBondContact O-N 3.37Å; Y65-K118 WeakPolarHBondContact O-CE 3.38Å; Y65-F121 HydrophobicContact CD1-CD2 4.46Å; Y65-F121 HydrophobicContact CE1-CB 4.4Å; Y65-F121 AromaticContact CE1-CD2 3.64Å; Y65-F121 HydrophobicContact CE1-CD2 3.64Å; Y65-F121 HydrophobicContact CE1-CE2 4.38Å; Y65-F121 HydrophobicContact CE1-CG 4.43Å; Y65-F121 HydrophobicContact CE2-CD2 4.09Å; Y65-F121 HydrophobicContact CE2-CE2 4.02Å; Y65-F121 AromaticContact CZ-CD2 3.41Å; Y65-F121 VanDerWaalsContact CZ-CD2 3.41Å; Y65-F121 AromaticContact CZ-CE2 3.79Å; Y65-F121 VanDerWaalsContact OH-CD2 3.29Å; Y65-F121 WeakPolarHBondContact OH-CD2 3.47Å; Y65-L168 HydrophobicContact CD2-CD2 4.33Å; Y65-L168 HydrophobicContact CE1-CD1 3.98Å; Y65-L168 HydrophobicContact CE2-CD1 3.79Å; Y65-L168 HydrophobicContact CE2-CD2 3.45Å; Y65-L168 VanDerWaalsContact CE2-CD2 3.45Å; Y65-L168 HydrophobicContact CE2-CG 4.22Å; Y65-L168 VanDerWaalsContact CZ-CD1 3.47Å; Y65-L168 WeakPolarHBondContact OH-CD1 3.18Å
66G88.8Confident94.3Very high4 Ų453.8 Ų53.84%0.04127%0.274CS..THydrogen-bonded Turntrans76.64-178.900000115.5E64 K118 F119E64-G66 PolarHBondContact O-N 3.29Å; E64-G66 VanDerWaalsContact O-N 3.11Å; G66-K118 CarbonylContact O-C 3.38Å; G66-K118 WeakPolarHBondContact O-CA 3.32Å; G66-F119 PolarHBondContact O-N 2.84Å
67E95.9Very high94.4Very high7 Ų747.3 Ų47.33%0.03324%0.244CC..EExtended strand (participates in β ladder)trans-82.8133.2167.2-171.7164.4-86.600110.7Q61 E64 Y65 T110 K113 T116 Y117 K118Q61-E67 HydrophobicContact CB-CB 4.27Å; Q61-E67 HydrophobicContact CB-CG 4.23Å; Q61-E67 HydrophobicContact CG-CG 4Å; Q61-E67 PolarHBondContact N-O 2.86Å; E64-E67 HydrophobicContact CB-CB 3.69Å; E64-E67 WeakPolarHBondContact O-CB 3.28Å; E64-E67 PolarHBondContact O-N 2.67Å; Y65-E67 VanDerWaalsContact C-N 3.28Å; Y65-E67 PolarHBondContact O-N 3.37Å; E67-T110 WeakPolarHBondContact OE1-CB 3.27Å; E67-T110 WeakPolarHBondContact OE1-CG2 3.46Å; E67-T110 PolarHBondContact OE1-OG1 2.87Å; E67-K113 IonicContact OE2-NZ 2.68Å; E67-K113 PolarHBondContact OE2-NZ 3Å; E67-T116 HydrophobicContact CG-CG2 3.37Å; E67-T116 WeakPolarHBondContact OE2-CG2 3.29Å; E67-Y117 WeakPolarHBondContact CA-O 3.48Å; E67-K118 HydrophobicContact CB-CB 4.34Å; E67-K118 HydrophobicContact CB-CD 4.23Å; E67-K118 HydrophobicContact CB-CG 4.15Å
68F97.1Very high94.4Very high0 Ų052 Ų520%026%0.262CS..EExtended strand (participates in β ladder)trans-132.4152.5176.470.6-87.9000111.2I45 L49 I58 A59 W60 I70 T116 Y117 F119I45-F68 HydrophobicContact CG2-CD2 4.34Å; I45-F68 HydrophobicContact CG2-CE1 4.35Å; I45-F68 HydrophobicContact CG2-CE2 3.72Å; I45-F68 HydrophobicContact CG2-CZ 3.72Å; L49-F68 HydrophobicContact CD1-CB 3.76Å; L49-F68 HydrophobicContact CD1-CD1 4.09Å; L49-F68 HydrophobicContact CD1-CD2 4.01Å; L49-F68 HydrophobicContact CD1-CG 3.7Å; L49-F68 HydrophobicContact CD2-CB 3.89Å; L49-F68 HydrophobicContact CG-CB 4.5Å; I58-F68 HydrophobicContact CD1-CD2 3.95Å; I58-F68 HydrophobicContact CD1-CE2 4.08Å; I58-F68 HydrophobicContact CG1-CD2 4.14Å; A59-F68 CarbonylContact O-C 3.59Å; A59-F68 VanDerWaalsContact O-CA 3.26Å; A59-F68 WeakPolarHBondContact O-CA 3.41Å; A59-F68 WeakPolarHBondContact O-CB 3.46Å; W60-F68 HydrophobicContact CE3-CB 3.86Å; W60-F68 HydrophobicContact CZ3-CB 4.12Å; W60-F68 HydrophobicContact CZ3-CD1 4.3Å; F68-I70 HydrophobicContact CD2-CG1 4.41Å; F68-I70 HydrophobicContact CE2-CD1 4.32Å; F68-I70 HydrophobicContact CE2-CG1 4.12Å; F68-T116 CarbonylContact O-C 3.55Å; F68-T116 VanDerWaalsContact O-CA 3.27Å; F68-T116 WeakPolarHBondContact O-CA 3.47Å; F68-T116 VanDerWaalsContact O-CG2 3.22Å; F68-T116 WeakPolarHBondContact O-CG2 3.27Å; F68-Y117 VanDerWaalsContact CD1-O 3.23Å; F68-Y117 WeakPolarHBondContact CD1-O 3.5Å; F68-Y117 HydrophobicContact CE2-CD2 4.24Å; F68-Y117 HydrophobicContact CZ-CD2 4.34Å; F68-Y117 HydrophobicContact CZ-CG 4.26Å; F68-Y117 PolarHBondContact N-O 3.48Å; F68-Y117 PolarHBondContact O-N 3.04Å; F68-Y117 VanDerWaalsContact O-O 3.14Å; F68-F119 AromaticContact CD1-CD2 3.55Å; F68-F119 HydrophobicContact CD1-CD2 3.55Å; F68-F119 AromaticContact CD1-CE2 3.56Å; F68-F119 HydrophobicContact CD1-CE2 3.56Å; F68-F119 AromaticContact CE1-CD2 3.45Å; F68-F119 HydrophobicContact CE1-CD2 3.45Å; F68-F119 VanDerWaalsContact CE1-CD2 3.45Å; F68-F119 AromaticContact CE1-CE2 3.24Å; F68-F119 HydrophobicContact CE1-CE2 3.24Å; F68-F119 HydrophobicContact CE1-CG 4.26Å; F68-F119 AromaticContact CE1-CZ 3.92Å; F68-F119 HydrophobicContact CE1-CZ 3.92Å; F68-F119 AromaticContact CZ-CE2 4Å; F68-F119 HydrophobicContact CZ-CE2 4Å; F68-F119 HydrophobicContact CZ-CZ 4.36Å
69V97.4Very high94.4Very high22 Ų2252.8 Ų52.813%0.13327%0.266CS..EExtended strand (participates in β ladder)trans-118.3129.7175.161.70000110.2I58 A59 Q61 K71 T116I58-V69 WeakPolarHBondContact CA-O 3.47Å; A59-V69 PolarHBondContact N-O 2.63Å; A59-V69 PolarHBondContact O-N 2.82Å; Q61-V69 HydrophobicContact CG-CB 4.29Å; Q61-V69 HydrophobicContact CG-CG1 4.23Å; V69-K71 HydrophobicContact CG1-CG 4.26Å; V69-T116 HydrophobicContact CB-CG2 4.35Å
70I98.1Very high94.4Very high1 Ų153.2 Ų53.21%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-81.4112.9163.6-63.8167.7000106.5I58 F68 D72 P73 V76 Y91 L98 F115 Y117I58-I70 HydrophobicContact CD1-CG1 3.74Å; I58-I70 HydrophobicContact CG1-CG1 3.91Å; F68-I70 HydrophobicContact CD2-CG1 4.41Å; F68-I70 HydrophobicContact CE2-CD1 4.32Å; F68-I70 HydrophobicContact CE2-CG1 4.12Å; I70-D72 WeakPolarHBondContact CG2-O 3.4Å; I70-P73 HydrophobicContact CG2-CB 4.23Å; I70-V76 HydrophobicContact CG1-CG2 4.48Å; I70-V76 HydrophobicContact CG2-CB 4.29Å; I70-V76 HydrophobicContact CG2-CG2 3.77Å; I70-Y91 HydrophobicContact CD1-CE2 4.15Å; I70-L98 HydrophobicContact CD1-CD1 4.26Å; I70-F115 HydrophobicContact CB-CB 4.23Å; I70-F115 PolarHBondContact N-O 3.27Å; I70-F115 WeakPolarHBondContact O-CB 3.28Å; I70-Y117 HydrophobicContact CD1-CD2 4.49Å; I70-Y117 HydrophobicContact CD1-CE2 4.33Å
71K97.8Very high94.4Very high117 Ų11749.1 Ų49.151%0.50925%0.25SS..SBendtrans-83.3-47.8179.7-64.6174.7177.9174.80110.2R55 H56 V57 V69 P73R55-K71 PolarHBondContact O-NZ 3.43Å; H56-K71 WeakPolarHBondContact O-CB 3.2Å; H56-K71 WeakPolarHBondContact O-CD 3.36Å; V57-K71 WeakPolarHBondContact O-CA 3.27Å; V57-K71 WeakPolarHBondContact O-CB 3.36Å; V57-K71 PolarHBondContact O-N 3.23Å; V69-K71 HydrophobicContact CG1-CG 4.26Å; K71-P73 WeakPolarHBondContact O-CD 3.39Å
72D98.1Very high94.4Very high67 Ų6754.3 Ų54.336%0.35827%0.267SS..  trans-107.8102172.5-171-30000109.8V57 I70 D74 E75 V76V57-D72 HydrophobicContact CG1-CB 4.38Å; V57-D72 PolarHBondContact O-N 2.86Å; I70-D72 WeakPolarHBondContact CG2-O 3.4Å; D72-D74 VanDerWaalsContact C-N 3.33Å; D72-D74 PolarHBondContact OD1-N 3.44Å; D72-E75 HydrophobicContact CB-CB 4.05Å; D72-E75 VanDerWaalsContact CG-CB 3.42Å; D72-E75 PolarHBondContact OD1-N 3.37Å; D72-E75 WeakPolarHBondContact OD2-CB 3.43Å; D72-V76 WeakPolarHBondContact O-CG2 3.5Å; D72-V76 PolarHBondContact O-N 3.26Å
73P97.9Very high94.7Very high22 Ų2249.6 Ų49.614%0.14324%0.243CC..Hα-helixtrans-69.8-28.7-179.428.2-33.6000113.6I70 K71 A77 Y91 F115I70-P73 HydrophobicContact CG2-CB 4.23Å; K71-P73 WeakPolarHBondContact O-CD 3.39Å; P73-A77 WeakPolarHBondContact O-CB 3.39Å; P73-A77 PolarHBondContact O-N 3.2Å; P73-Y91 HydrophobicContact CB-CD1 4.16Å; P73-Y91 HydrophobicContact CB-CD2 3.38Å; P73-Y91 HydrophobicContact CB-CE2 3.86Å; P73-Y91 HydrophobicContact CB-CG 3.56Å; P73-Y91 WeakPolarHBondContact O-CD2 3.45Å; P73-F115 HydrophobicContact CB-CE1 4.39Å; P73-F115 HydrophobicContact CG-CE2 4.45Å; P73-F115 HydrophobicContact CG-CZ 4.27Å
74D98.2Very high95.1Very high101 Ų10148.3 Ų48.354%0.5422%0.215SC..Hα-helixtrans-86-36.9-173.8-70.6-51.8000111.2D72 A77 R78D72-D74 VanDerWaalsContact C-N 3.33Å; D72-D74 PolarHBondContact OD1-N 3.44Å; D74-A77 CarbonylContact O-C 3.59Å; D74-A77 PolarHBondContact O-N 2.97Å; D74-R78 WeakPolarHBondContact O-CB 2.92Å; D74-R78 PolarHBondContact O-N 2.84Å
75E98.1Very high95.5Very high44 Ų4447.1 Ų47.121%0.20622%0.215CC..Hα-helixtrans-66.2-40.7171.6179.157.6-167.900111.7V57 D72 A77 R78 L79V57-E75 HydrophobicContact CB-CG 4.41Å; V57-E75 HydrophobicContact CG1-CB 4.11Å; V57-E75 HydrophobicContact CG1-CG 3.9Å; V57-E75 HydrophobicContact CG2-CB 4.26Å; V57-E75 HydrophobicContact CG2-CG 3.56Å; D72-E75 HydrophobicContact CB-CB 4.05Å; D72-E75 VanDerWaalsContact CG-CB 3.42Å; D72-E75 PolarHBondContact OD1-N 3.37Å; D72-E75 WeakPolarHBondContact OD2-CB 3.43Å; E75-A77 VanDerWaalsContact C-N 3.28Å; E75-A77 PolarHBondContact O-N 3.2Å; E75-R78 PolarHBondContact O-N 3.32Å; E75-R78 IonicContact OE1-CZ 3.41Å; E75-R78 IonicContact OE1-NE 3Å; E75-R78 IonicContact OE1-NH2 2.87Å; E75-R78 PolarHBondContact OE1-NH2 3.48Å; E75-R78 IonicContact OE2-CZ 2.93Å; E75-R78 IonicContact OE2-NE 3.25Å; E75-R78 PolarHBondContact OE2-NE 3.25Å; E75-R78 IonicContact OE2-NH2 2.67Å; E75-R78 PolarHBondContact OE2-NH2 3.45Å; E75-L79 HydrophobicContact CG-CD1 3.99Å; E75-L79 HydrophobicContact CG-CG 4.36Å; E75-L79 WeakPolarHBondContact O-CB 3.23Å; E75-L79 VanDerWaalsContact O-CG 3.26Å; E75-L79 WeakPolarHBondContact O-CG 3.49Å; E75-L79 PolarHBondContact O-N 3.33Å; E75-L79 WeakPolarHBondContact OE1-CD1 3.44Å; E75-L79 WeakPolarHBondContact OE1-CG 3.35Å
76V98.2Very high95.8Very high0 Ų047.2 Ų47.20%022%0.218CC..Hα-helixtrans-57.5-43170.2173.50000110.9L48 V57 I58 I70 D72 W80 L94L48-V76 HydrophobicContact CD1-CG1 4.42Å; L48-V76 HydrophobicContact CD1-CG2 4.43Å; V57-V76 HydrophobicContact CG1-CB 4.47Å; V57-V76 HydrophobicContact CG1-CG2 3.41Å; V57-V76 VanDerWaalsContact CG1-CG2 3.41Å; I58-V76 HydrophobicContact CB-CG2 4.16Å; I58-V76 HydrophobicContact CD1-CG2 4.46Å; I70-V76 HydrophobicContact CG1-CG2 4.48Å; I70-V76 HydrophobicContact CG2-CB 4.29Å; I70-V76 HydrophobicContact CG2-CG2 3.77Å; D72-V76 WeakPolarHBondContact O-CG2 3.5Å; D72-V76 PolarHBondContact O-N 3.26Å; V76-W80 WeakPolarHBondContact O-CB 3.31Å; V76-W80 PolarHBondContact O-N 2.97Å; V76-L94 HydrophobicContact CG1-CD1 3.87Å
77A98.1Very high95.8Very high0 Ų052.8 Ų52.80%025%0.254CS..Hα-helixtrans-68.4-36.417800000113P73 D74 E75 G81 M89 L94P73-A77 WeakPolarHBondContact O-CB 3.39Å; P73-A77 PolarHBondContact O-N 3.2Å; D74-A77 CarbonylContact O-C 3.59Å; D74-A77 PolarHBondContact O-N 2.97Å; E75-A77 VanDerWaalsContact C-N 3.28Å; E75-A77 PolarHBondContact O-N 3.2Å; A77-G81 PolarHBondContact O-N 2.76Å; A77-M89 VanDerWaalsContact O-CG 3.29Å; A77-M89 WeakPolarHBondContact O-CG 3.45Å; A77-L94 HydrophobicContact CB-CD1 4.18Å
78R97.8Very high95.8Very high99 Ų9959.9 Ų59.937%0.37429%0.287SS..Hα-helixtrans-70.2-39.8177.4-161.7-157.758.157.5-2.1111.8D74 E75 G81 R82D74-R78 WeakPolarHBondContact O-CB 2.92Å; D74-R78 PolarHBondContact O-N 2.84Å; E75-R78 PolarHBondContact O-N 3.32Å; E75-R78 IonicContact OE1-CZ 3.41Å; E75-R78 IonicContact OE1-NE 3Å; E75-R78 IonicContact OE1-NH2 2.87Å; E75-R78 PolarHBondContact OE1-NH2 3.48Å; E75-R78 IonicContact OE2-CZ 2.93Å; E75-R78 IonicContact OE2-NE 3.25Å; E75-R78 PolarHBondContact OE2-NE 3.25Å; E75-R78 IonicContact OE2-NH2 2.67Å; E75-R78 PolarHBondContact OE2-NH2 3.45Å; R78-G81 PolarHBondContact O-N 3.06Å; R78-R82 WeakPolarHBondContact O-CB 3.29Å; R78-R82 PolarHBondContact O-N 3.08Å
79L96.9Very high95.8Very high18 Ų1861.9 Ų61.99%0.09430%0.297CS..Hα-helixtrans-66.7-42.6173.4-68.3167.6000111.2F44 L48 F54 E75 R82 R83F44-L79 HydrophobicContact CZ-CB 3.82Å; L48-L79 HydrophobicContact CD1-CD1 4.46Å; L48-L79 HydrophobicContact CD2-CD1 4.26Å; F54-L79 HydrophobicContact CD1-CD1 3.89Å; F54-L79 HydrophobicContact CE1-CD1 3.63Å; F54-L79 HydrophobicContact CE1-CD2 4.21Å; F54-L79 HydrophobicContact CZ-CD1 4.27Å; F54-L79 HydrophobicContact CZ-CD2 4.41Å; E75-L79 HydrophobicContact CG-CD1 3.99Å; E75-L79 HydrophobicContact CG-CG 4.36Å; E75-L79 WeakPolarHBondContact O-CB 3.23Å; E75-L79 VanDerWaalsContact O-CG 3.26Å; E75-L79 WeakPolarHBondContact O-CG 3.49Å; E75-L79 PolarHBondContact O-N 3.33Å; E75-L79 WeakPolarHBondContact OE1-CD1 3.44Å; E75-L79 WeakPolarHBondContact OE1-CG 3.35Å; L79-R82 WeakPolarHBondContact O-CB 3.49Å; L79-R82 PolarHBondContact O-N 3.47Å; L79-R83 PolarHBondContact O-N 2.82Å
80W96.3Very high95.8Very high22 Ų2263.2 Ų63.28%0.08330%0.303CS..Hα-helixtrans-62.7-42.8173.1179.5-127.2000112.2I39 L41 F44 V76 R82 R83 K84 L94I39-W80 HydrophobicContact CG2-CZ3 4.09Å; I39-W80 WeakPolarHBondContact O-CH2 3.49Å; L41-W80 HydrophobicContact CB-CH2 3.99Å; L41-W80 HydrophobicContact CB-CZ2 3.74Å; L41-W80 HydrophobicContact CD1-CD2 3.77Å; L41-W80 HydrophobicContact CD1-CE3 4.2Å; L41-W80 HydrophobicContact CD1-CG 3.97Å; L41-W80 HydrophobicContact CD1-CZ2 4.34Å; L41-W80 VanDerWaalsContact N-CH2 3.33Å; F44-W80 HydrophobicContact CB-CE3 3.87Å; F44-W80 HydrophobicContact CB-CZ3 3.64Å; F44-W80 HydrophobicContact CD1-CB 4.26Å; F44-W80 HydrophobicContact CD1-CD2 4.19Å; F44-W80 AromaticContact CD1-CE3 3.47Å; F44-W80 HydrophobicContact CD1-CE3 3.47Å; F44-W80 VanDerWaalsContact CD1-CE3 3.47Å; F44-W80 HydrophobicContact CD1-CZ3 4.15Å; F44-W80 HydrophobicContact CD2-CE3 4.13Å; F44-W80 HydrophobicContact CD2-CZ3 4.49Å; F44-W80 HydrophobicContact CE1-CB 3.69Å; F44-W80 HydrophobicContact CE1-CD2 4.48Å; F44-W80 AromaticContact CE1-CE3 3.99Å; F44-W80 HydrophobicContact CE1-CE3 3.99Å; F44-W80 HydrophobicContact CE1-CG 4.42Å; F44-W80 AromaticContact CG-CE3 3.53Å; F44-W80 HydrophobicContact CG-CE3 3.53Å; F44-W80 AromaticContact CG-CZ3 3.84Å; F44-W80 HydrophobicContact CG-CZ3 3.84Å; F44-W80 HydrophobicContact CZ-CB 4.2Å; V76-W80 WeakPolarHBondContact O-CB 3.31Å; V76-W80 PolarHBondContact O-N 2.97Å; W80-R82 PolarHBondContact O-N 2.9Å; W80-R83 PolarHBondContact O-N 3.36Å; W80-K84 HydrophobicContact CD2-CG 3.91Å; W80-K84 HydrophobicContact CE3-CD 4.45Å; W80-K84 HydrophobicContact CE3-CG 3.83Å; W80-K84 HydrophobicContact CH2-CD 3.49Å; W80-K84 VanDerWaalsContact CH2-CD 3.49Å; W80-K84 HydrophobicContact CH2-CG 3.55Å; W80-K84 HydrophobicContact CZ2-CD 3.94Å; W80-K84 HydrophobicContact CZ2-CG 3.61Å; W80-K84 HydrophobicContact CZ3-CD 3.78Å; W80-K84 HydrophobicContact CZ3-CG 3.67Å; W80-K84 PolarHBondContact O-N 2.75Å; W80-L94 HydrophobicContact CB-CD1 3.85Å; W80-L94 HydrophobicContact CG-CD1 4.01Å
81G95.7Very high95.8Very high4 Ų464.2 Ų64.24%0.04131%0.307CS..Hα-helixtrans-58.7-43.9173.300000112.4A77 R78 C85 K86A77-G81 PolarHBondContact O-N 2.76Å; R78-G81 PolarHBondContact O-N 3.06Å; G81-C85 CarbonylContact O-C 3.51Å; G81-C85 WeakPolarHBondContact O-CA 3.2Å; G81-C85 PolarHBondContact O-N 2.98Å; G81-K86 WeakPolarHBondContact CA-O 3.25Å; G81-K86 PolarHBondContact O-N 2.84Å
82R94.2Very high95.8Very high175 Ų17563.9 Ų63.966%0.6631%0.311SS*.Hα-helixtrans-59.7-52.2172.6-171.8-175.3-77179.3-3.8110.8R78 L79 W80 K84 C85R78-R82 WeakPolarHBondContact O-CB 3.29Å; R78-R82 PolarHBondContact O-N 3.08Å; L79-R82 WeakPolarHBondContact O-CB 3.49Å; L79-R82 PolarHBondContact O-N 3.47Å; W80-R82 PolarHBondContact O-N 2.9Å; R82-K84 VanDerWaalsContact C-N 3.34Å; R82-K84 PolarHBondContact O-N 3.21Å; R82-C85 PolarHBondContact O-N 2.77Å
83R93.3Very high95.8Very high49 Ų4966.1 Ų66.119%0.18532%0.317CS..Hα-helixtrans-59.2-37.4-178.5179.561.769.286.35.8113.8I39 F44 E47 L79 W80I39-R83 HydrophobicContact CG2-CG 3.67Å; F44-R83 HydrophobicContact CD2-CB 4.33Å; F44-R83 HydrophobicContact CD2-CG 4.11Å; F44-R83 HydrophobicContact CE2-CB 4.09Å; F44-R83 HydrophobicContact CE2-CG 4.34Å; E47-R83 IonicContact OE1-CZ 3.32Å; E47-R83 IonicContact OE1-NH1 2.74Å; E47-R83 IonicContact OE1-NH2 3.15Å; E47-R83 PolarHBondContact OE1-NH2 2.92Å; E47-R83 IonicContact OE2-CZ 2.61Å; E47-R83 VanDerWaalsContact OE2-CZ 3.25Å; E47-R83 IonicContact OE2-NH1 3.2Å; E47-R83 PolarHBondContact OE2-NH1 3.2Å; E47-R83 IonicContact OE2-NH2 2.67Å; E47-R83 PolarHBondContact OE2-NH2 2.97Å; L79-R83 PolarHBondContact O-N 2.82Å; W80-R83 PolarHBondContact O-N 3.36Å
84K90.3Very high95.8Very high51 Ų5165.1 Ų65.122%0.22231%0.311CS..THydrogen-bonded Turntrans-97.95.8-179.7-58.3-69.9-80.6-173.70113.8R37 I39 W80 R82 K86R37-K84 WeakPolarHBondContact O-CD 3.49Å; R37-K84 WeakPolarHBondContact O-CE 3.21Å; R37-K84 PolarHBondContact O-NZ 2.8Å; I39-K84 HydrophobicContact CG2-CD 4.2Å; I39-K84 PolarHBondContact O-NZ 3.45Å; W80-K84 HydrophobicContact CD2-CG 3.91Å; W80-K84 HydrophobicContact CE3-CD 4.45Å; W80-K84 HydrophobicContact CE3-CG 3.83Å; W80-K84 HydrophobicContact CH2-CD 3.49Å; W80-K84 VanDerWaalsContact CH2-CD 3.49Å; W80-K84 HydrophobicContact CH2-CG 3.55Å; W80-K84 HydrophobicContact CZ2-CD 3.94Å; W80-K84 HydrophobicContact CZ2-CG 3.61Å; W80-K84 HydrophobicContact CZ3-CD 3.78Å; W80-K84 HydrophobicContact CZ3-CG 3.67Å; W80-K84 PolarHBondContact O-N 2.75Å; R82-K84 VanDerWaalsContact C-N 3.34Å; R82-K84 PolarHBondContact O-N 3.21Å; K84-K86 VanDerWaalsContact C-N 3.28Å; K84-K86 HydrophobicContact CB-CG 4.28Å; K84-K86 PolarHBondContact O-N 3.38Å
85C90.9Very high95.8Very high57 Ų5761.3 Ų61.339%0.38529%0.292SS..THydrogen-bonded Turntrans48.346-171.5-59.70000113.4R37 G81 R82R37-C85 VanDerWaalsContact CZ-SG 3.52Å; G81-C85 CarbonylContact O-C 3.51Å; G81-C85 WeakPolarHBondContact O-CA 3.2Å; G81-C85 PolarHBondContact O-N 2.98Å; R82-C85 PolarHBondContact O-N 2.77Å
86K92.3Very high95.7Very high131 Ų13164.1 Ų64.157%0.5730%0.301SS*.  trans-11689.7173.4-63.3-58.6-179-177.30108.7G81 K84 Q88 M89G81-K86 WeakPolarHBondContact CA-O 3.25Å; G81-K86 PolarHBondContact O-N 2.84Å; K84-K86 VanDerWaalsContact C-N 3.28Å; K84-K86 HydrophobicContact CB-CG 4.28Å; K84-K86 PolarHBondContact O-N 3.38Å; K86-Q88 PolarHBondContact O-N 2.92Å; K86-M89 HydrophobicContact CB-CB 4.45Å; K86-M89 HydrophobicContact CB-CE 4.1Å; K86-M89 HydrophobicContact CG-CE 4.46Å; K86-M89 VanDerWaalsContact O-CB 3.27Å; K86-M89 WeakPolarHBondContact O-CB 3.28Å; K86-M89 PolarHBondContact O-N 3.43Å
87P90.2Very high95.6Very high122 Ų12265.4 Ų65.479%0.79231%0.312SS*.THydrogen-bonded Turntrans-65.7-25.3-177.626.2-34.4000112.7M89P87-M89 PolarHBondContact O-N 2.97Å
88Q94.3Very high95.6Very high155 Ų15565.4 Ų65.472%0.72431%0.312SS*.THydrogen-bonded Turntrans-86.428.5175.9-66.1-65.7-20.900113.1K86 K93K86-Q88 PolarHBondContact O-N 2.92Å; Q88-K93 WeakPolarHBondContact O-CD 3.33Å; Q88-K93 PolarHBondContact O-NZ 2.75Å
89M97.6Very high95.5Very high42 Ų4267.7 Ų67.721%0.20732%0.32CS..  trans-84.5136.5173.5-171.861.966.300110A77 K86 P87 K93A77-M89 VanDerWaalsContact O-CG 3.29Å; A77-M89 WeakPolarHBondContact O-CG 3.45Å; K86-M89 HydrophobicContact CB-CB 4.45Å; K86-M89 HydrophobicContact CB-CE 4.1Å; K86-M89 HydrophobicContact CG-CE 4.46Å; K86-M89 VanDerWaalsContact O-CB 3.27Å; K86-M89 WeakPolarHBondContact O-CB 3.28Å; K86-M89 PolarHBondContact O-N 3.43Å; P87-M89 PolarHBondContact O-N 2.97Å; M89-K93 HydrophobicContact SD-CB 3.93Å
90N98.1Very high95.5Very high50 Ų5073.5 Ų73.527%0.26734%0.342SS..  trans-143173176.176.8-22.7000110.1D92 K93 L94N90-D92 VanDerWaalsContact C-N 3.3Å; N90-D92 PolarHBondContact ND2-OD2 3.35Å; N90-D92 PolarHBondContact O-N 3.29Å; N90-K93 PolarHBondContact O-N 3.2Å; N90-K93 WeakPolarHBondContact OD1-CB 3.32Å; N90-K93 VanDerWaalsContact OD1-CD 3.28Å; N90-K93 WeakPolarHBondContact OD1-CD 3.29Å; N90-K93 WeakPolarHBondContact OD1-CE 3.47Å; N90-K93 WeakPolarHBondContact OD1-CG 3.39Å; N90-K93 PolarHBondContact OD1-N 3.26Å; N90-K93 VanDerWaalsContact OD1-N 3.14Å; N90-L94 PolarHBondContact O-N 3.5Å; N90-L94 VanDerWaalsContact O-N 3.11Å
91Y98.2Very high95.4Very high23 Ų2373.9 Ų73.99%0.0934%0.343CS..Hα-helixtrans-62.8-32.2-176.6-172.8-100.5000113.7I70 P73 K93 L94 S95 F115 Y117I70-Y91 HydrophobicContact CD1-CE2 4.15Å; P73-Y91 HydrophobicContact CB-CD1 4.16Å; P73-Y91 HydrophobicContact CB-CD2 3.38Å; P73-Y91 HydrophobicContact CB-CE2 3.86Å; P73-Y91 HydrophobicContact CB-CG 3.56Å; P73-Y91 WeakPolarHBondContact O-CD2 3.45Å; Y91-K93 PolarHBondContact O-N 2.77Å; Y91-L94 HydrophobicContact CD2-CD2 4.47Å; Y91-L94 HydrophobicContact CE2-CD2 4.32Å; Y91-L94 PolarHBondContact O-N 2.99Å; Y91-S95 WeakPolarHBondContact O-CB 3.26Å; Y91-S95 PolarHBondContact O-N 3.29Å; Y91-S95 PolarHBondContact O-OG 3.44Å; Y91-S95 VanDerWaalsContact O-OG 3.08Å; Y91-F115 HydrophobicContact CD1-CE1 4.24Å; Y91-F115 AromaticContact CE1-CD1 3.85Å; Y91-F115 HydrophobicContact CE1-CD1 3.85Å; Y91-F115 AromaticContact CE1-CE1 3.7Å; Y91-F115 HydrophobicContact CE1-CE1 3.7Å; Y91-F115 AromaticContact CZ-CD1 3.77Å; Y91-Y117 PolarHBondContact OH-OH 3.02Å
92D97.7Very high95.3Very high110 Ų11076.4 Ų76.459%0.58835%0.352SS*.Hα-helixtrans-61.2-47.2177.4-54.2-60.8000112N90 S95 R96N90-D92 VanDerWaalsContact C-N 3.3Å; N90-D92 PolarHBondContact ND2-OD2 3.35Å; N90-D92 PolarHBondContact O-N 3.29Å; D92-S95 PolarHBondContact O-N 2.9Å; D92-S95 PolarHBondContact O-OG 3.38Å; D92-S95 VanDerWaalsContact O-OG 3.06Å; D92-R96 PolarHBondContact O-N 2.86Å
93K97.1Very high95.1Very high113 Ų11375 Ų7549%0.49136%0.358SS..Hα-helixtrans-66.2-38.9178.5-66.3164.1-158.9175.50111.3Q88 M89 N90 Y91Q88-K93 WeakPolarHBondContact O-CD 3.33Å; Q88-K93 PolarHBondContact O-NZ 2.75Å; M89-K93 HydrophobicContact SD-CB 3.93Å; N90-K93 PolarHBondContact O-N 3.2Å; N90-K93 WeakPolarHBondContact OD1-CB 3.32Å; N90-K93 VanDerWaalsContact OD1-CD 3.28Å; N90-K93 WeakPolarHBondContact OD1-CD 3.29Å; N90-K93 WeakPolarHBondContact OD1-CE 3.47Å; N90-K93 WeakPolarHBondContact OD1-CG 3.39Å; N90-K93 PolarHBondContact OD1-N 3.26Å; N90-K93 VanDerWaalsContact OD1-N 3.14Å; Y91-K93 PolarHBondContact O-N 2.77Å
94L98Very high94.9Very high1 Ų179.8 Ų79.81%0.00538%0.38CS..Hα-helixtrans-68-47.8176.5-171.1153.9000111.7L41 V76 A77 W80 N90 Y91 R96 A97 L98L41-L94 HydrophobicContact CD1-CD1 3.89Å; L41-L94 HydrophobicContact CD1-CD2 4.18Å; L41-L94 HydrophobicContact CD1-CG 3.82Å; L41-L94 HydrophobicContact CD2-CD2 3.96Å; L41-L94 HydrophobicContact CD2-CG 3.86Å; V76-L94 HydrophobicContact CG1-CD1 3.87Å; A77-L94 HydrophobicContact CB-CD1 4.18Å; W80-L94 HydrophobicContact CB-CD1 3.85Å; W80-L94 HydrophobicContact CG-CD1 4.01Å; N90-L94 PolarHBondContact O-N 3.5Å; N90-L94 VanDerWaalsContact O-N 3.11Å; Y91-L94 HydrophobicContact CD2-CD2 4.47Å; Y91-L94 HydrophobicContact CE2-CD2 4.32Å; Y91-L94 PolarHBondContact O-N 2.99Å; L94-R96 PolarHBondContact O-N 3.12Å; L94-A97 WeakPolarHBondContact O-CA 3.36Å; L94-A97 WeakPolarHBondContact O-CB 3.36Å; L94-A97 PolarHBondContact O-N 2.95Å; L94-L98 HydrophobicContact CD2-CD1 3.84Å; L94-L98 HydrophobicContact CD2-CD2 4.47Å; L94-L98 HydrophobicContact CD2-CG 4.01Å; L94-L98 PolarHBondContact O-N 2.94Å; L94-L98 VanDerWaalsContact O-N 3.15Å
95S97.8Very high94.9Very high21 Ų2183.6 Ų83.615%0.14739%0.393CS..Hα-helixtrans-65.5-27179.274.20000112.5Y91 D92 A97 L98 R99Y91-S95 WeakPolarHBondContact O-CB 3.26Å; Y91-S95 PolarHBondContact O-N 3.29Å; Y91-S95 PolarHBondContact O-OG 3.44Å; Y91-S95 VanDerWaalsContact O-OG 3.08Å; D92-S95 PolarHBondContact O-N 2.9Å; D92-S95 PolarHBondContact O-OG 3.38Å; D92-S95 VanDerWaalsContact O-OG 3.06Å; S95-A97 PolarHBondContact O-N 2.91Å; S95-L98 PolarHBondContact O-N 3.21Å; S95-R99 WeakPolarHBondContact O-CG 3.45Å; S95-R99 PolarHBondContact O-N 2.79Å
96R97.8Very high94.9Very high103 Ų10381.8 Ų81.839%0.38938%0.379SS..Hα-helixtrans-60.9-34170.1-171.265.8-165.384.6-10.3112.4D92 L94 Y100D92-R96 PolarHBondContact O-N 2.86Å; L94-R96 PolarHBondContact O-N 3.12Å; R96-Y100 HydrophobicContact CG-CE2 4.25Å; R96-Y100 VanDerWaalsContact NH1-CE1 3.27Å; R96-Y100 VanDerWaalsContact NH1-CE2 3.27Å; R96-Y100 VanDerWaalsContact NH2-CE1 3.32Å; R96-Y100 VanDerWaalsContact NH2-CZ 3.33Å; R96-Y100 PolarHBondContact NH2-OH 3.47Å; R96-Y100 WeakPolarHBondContact O-CD2 3.49Å; R96-Y100 PolarHBondContact O-N 2.75Å
97A95.2Very high95Very high28 Ų2875.6 Ų75.623%0.23135%0.352CS..Hα-helixtrans-74.5-42.1172.500000112.3L41 L94 S95 R99 Y100 Y101L41-A97 HydrophobicContact CD2-CB 3.65Å; L94-A97 WeakPolarHBondContact O-CA 3.36Å; L94-A97 WeakPolarHBondContact O-CB 3.36Å; L94-A97 PolarHBondContact O-N 2.95Å; S95-A97 PolarHBondContact O-N 2.91Å; A97-R99 PolarHBondContact O-N 3.32Å; A97-Y100 PolarHBondContact O-N 3.14Å; A97-Y101 WeakPolarHBondContact O-CD2 3.48Å; A97-Y101 PolarHBondContact O-N 3Å
98L97.2Very high95.2Very high0 Ų072.3 Ų72.30%033%0.326CS..Hα-helixtrans-54.3-41.4172.2-59.9179.9000111.9L41 I45 I70 L94 S95 Y100 Y101 Y102 L107 Y117L41-L98 HydrophobicContact CD2-CD2 3.88Å; L41-L98 HydrophobicContact CD2-CG 4.25Å; L41-L98 HydrophobicContact CG-CD2 4.46Å; I45-L98 HydrophobicContact CD1-CD2 3.65Å; I70-L98 HydrophobicContact CD1-CD1 4.26Å; L94-L98 HydrophobicContact CD2-CD1 3.84Å; L94-L98 HydrophobicContact CD2-CD2 4.47Å; L94-L98 HydrophobicContact CD2-CG 4.01Å; L94-L98 PolarHBondContact O-N 2.94Å; L94-L98 VanDerWaalsContact O-N 3.15Å; S95-L98 PolarHBondContact O-N 3.21Å; L98-Y100 VanDerWaalsContact C-N 3.32Å; L98-Y100 PolarHBondContact O-N 3.32Å; L98-Y101 HydrophobicContact CD2-CD2 4.41Å; L98-Y101 WeakPolarHBondContact O-CB 3.26Å; L98-Y101 PolarHBondContact O-N 3.5Å; L98-Y101 VanDerWaalsContact O-N 3.11Å; L98-Y102 VanDerWaalsContact O-CD1 3.28Å; L98-Y102 WeakPolarHBondContact O-CD1 3.37Å; L98-Y102 VanDerWaalsContact O-CE1 3.25Å; L98-Y102 WeakPolarHBondContact O-CE1 3.18Å; L98-L107 HydrophobicContact CD2-CD2 3.93Å; L98-Y117 HydrophobicContact CB-CE1 4.25Å; L98-Y117 HydrophobicContact CD1-CD2 4.35Å; L98-Y117 HydrophobicContact CD1-CE1 4.17Å; L98-Y117 HydrophobicContact CD1-CE2 3.78Å
99R97.1Very high95.3Very high146 Ų14668.1 Ų68.155%0.55131%0.306SS*.Hα-helixtrans-63.1-30.5176-72.3170.266.81772.6114S95 A97 Y102S95-R99 WeakPolarHBondContact O-CG 3.45Å; S95-R99 PolarHBondContact O-N 2.79Å; A97-R99 PolarHBondContact O-N 3.32Å; R99-Y102 HydrophobicContact CB-CE2 4.19Å; R99-Y102 HydrophobicContact CG-CE2 3.91Å
100Y95.7Very high95.2Very high141 Ų14167.2 Ų67.255%0.55330%0.302SS*.Hα-helixtrans-72.5-29.9173.6-71.1-59.3000112.2R96 A97 L98 Y102 N103R96-Y100 HydrophobicContact CG-CE2 4.25Å; R96-Y100 VanDerWaalsContact NH1-CE1 3.27Å; R96-Y100 VanDerWaalsContact NH1-CE2 3.27Å; R96-Y100 VanDerWaalsContact NH2-CE1 3.32Å; R96-Y100 VanDerWaalsContact NH2-CZ 3.33Å; R96-Y100 PolarHBondContact NH2-OH 3.47Å; R96-Y100 WeakPolarHBondContact O-CD2 3.49Å; R96-Y100 PolarHBondContact O-N 2.75Å; A97-Y100 PolarHBondContact O-N 3.14Å; L98-Y100 VanDerWaalsContact C-N 3.32Å; L98-Y100 PolarHBondContact O-N 3.32Å; Y100-Y102 PolarHBondContact O-N 3.27Å; Y100-N103 PolarHBondContact O-N 3.37Å
101Y94.9Very high95Very high29 Ų2974 Ų7411%0.11433%0.33CS..Hα-helixtrans-70.6-16.2-179.3-65.2-39000114.4L41 W42 A97 L98 K104 R105 I106 L107L41-Y101 HydrophobicContact CB-CE2 4.09Å; L41-Y101 HydrophobicContact CD2-CE2 4.24Å; L41-Y101 HydrophobicContact CG-CE2 4.36Å; W42-Y101 HydrophobicContact CB-CD2 4.34Å; W42-Y101 HydrophobicContact CB-CE2 3.94Å; W42-Y101 AromaticContact CD1-CE1 3.88Å; W42-Y101 AromaticContact CD1-CZ 3.65Å; W42-Y101 HydrophobicContact CG-CE2 4.49Å; A97-Y101 WeakPolarHBondContact O-CD2 3.48Å; A97-Y101 PolarHBondContact O-N 3Å; L98-Y101 HydrophobicContact CD2-CD2 4.41Å; L98-Y101 WeakPolarHBondContact O-CB 3.26Å; L98-Y101 PolarHBondContact O-N 3.5Å; L98-Y101 VanDerWaalsContact O-N 3.11Å; Y101-K104 CarbonylContact O-C 3.56Å; Y101-R105 PolarHBondContact O-N 3.27Å; Y101-R105 VanDerWaalsContact O-N 3.11Å; Y101-I106 HydrophobicContact CD1-CB 4.42Å; Y101-I106 HydrophobicContact CD1-CD1 3.79Å; Y101-I106 HydrophobicContact CD1-CG2 4.41Å; Y101-I106 HydrophobicContact CE1-CD1 4.19Å; Y101-I106 HydrophobicContact CG-CB 4.4Å; Y101-I106 HydrophobicContact CG-CG2 4.2Å; Y101-I106 PolarHBondContact O-N 2.92Å; Y101-I106 VanDerWaalsContact O-N 3.08Å; Y101-L107 HydrophobicContact CD2-CD2 3.82Å; Y101-L107 HydrophobicContact CG-CD2 4.31Å
102Y93.7Very high94.9Very high58 Ų5877.2 Ų77.223%0.22737%0.369CS..Hα-helixtrans-60.1-53172.4-52.9-13.5000111.2L98 R99 Y100 K104 R105 L107 K109 Y117L98-Y102 VanDerWaalsContact O-CD1 3.28Å; L98-Y102 WeakPolarHBondContact O-CD1 3.37Å; L98-Y102 VanDerWaalsContact O-CE1 3.25Å; L98-Y102 WeakPolarHBondContact O-CE1 3.18Å; R99-Y102 HydrophobicContact CB-CE2 4.19Å; R99-Y102 HydrophobicContact CG-CE2 3.91Å; Y100-Y102 PolarHBondContact O-N 3.27Å; Y102-K104 VanDerWaalsContact C-N 3.34Å; Y102-K104 PolarHBondContact O-N 3.2Å; Y102-R105 PolarHBondContact O-N 3.11Å; Y102-L107 WeakPolarHBondContact CA-O 3.47Å; Y102-L107 HydrophobicContact CD1-CD1 3.87Å; Y102-L107 HydrophobicContact CE1-CD1 3.76Å; Y102-K109 HydrophobicContact CE1-CB 3.85Å; Y102-K109 HydrophobicContact CE2-CB 4.15Å; Y102-Y117 HydrophobicContact CE1-CD1 4.25Å; Y102-Y117 HydrophobicContact CE1-CE1 4.08Å
103N90.9Very high94.8Very high144 Ų14476.3 Ų76.377%0.7736%0.36SS*.Hα-helixtrans-69.2-35.2-178.2-68.419.4000111.1Y100 R105Y100-N103 PolarHBondContact O-N 3.37Å; N103-R105 PolarHBondContact O-N 2.98Å
104K88.1Confident94.7Very high150 Ų15080.3 Ų80.365%0.65237%0.372SS*.THydrogen-bonded Turntrans-71.6-0.5172.2-60.2-158.371.7174.10114Y101 Y102 I106Y101-K104 CarbonylContact O-C 3.56Å; Y102-K104 VanDerWaalsContact C-N 3.34Å; Y102-K104 PolarHBondContact O-N 3.2Å; K104-I106 HydrophobicContact CB-CD1 4.05Å; K104-I106 HydrophobicContact CB-CG1 4.35Å; K104-I106 PolarHBondContact O-N 3.24Å; K104-I106 VanDerWaalsContact O-N 3.12Å
105R89.6Confident94.7Very high132 Ų13283 Ų8350%0.49838%0.384SS..THydrogen-bonded Turntrans54.326.7179.9-54.1-62.9-174.7150.43114.5Y101 Y102 N103 H108 N120 K123Y101-R105 PolarHBondContact O-N 3.27Å; Y101-R105 VanDerWaalsContact O-N 3.11Å; Y102-R105 PolarHBondContact O-N 3.11Å; N103-R105 PolarHBondContact O-N 2.98Å; R105-H108 WeakPolarHBondContact CD-NE2 3.43Å; R105-H108 PolarHBondContact NH1-NE2 3.3Å; R105-N120 WeakPolarHBondContact O-CB 3.32Å; R105-K123 HydrophobicContact CB-CB 4.44Å; R105-K123 HydrophobicContact CB-CD 3.88Å; R105-K123 HydrophobicContact CG-CD 4.21Å
106I91.1Very high94.7Very high19 Ų1982.2 Ų82.210%0.09738%0.378CS..SBendtrans-79.9-44.2176.8-77.6165.4000110.1W42 Y101 K104 N120 L124W42-I106 HydrophobicContact CB-CG2 3.97Å; W42-I106 HydrophobicContact CD2-CG2 4.14Å; W42-I106 HydrophobicContact CG-CG2 3.87Å; Y101-I106 HydrophobicContact CD1-CB 4.42Å; Y101-I106 HydrophobicContact CD1-CD1 3.79Å; Y101-I106 HydrophobicContact CD1-CG2 4.41Å; Y101-I106 HydrophobicContact CE1-CD1 4.19Å; Y101-I106 HydrophobicContact CG-CB 4.4Å; Y101-I106 HydrophobicContact CG-CG2 4.2Å; Y101-I106 PolarHBondContact O-N 2.92Å; Y101-I106 VanDerWaalsContact O-N 3.08Å; K104-I106 HydrophobicContact CB-CD1 4.05Å; K104-I106 HydrophobicContact CB-CG1 4.35Å; K104-I106 PolarHBondContact O-N 3.24Å; K104-I106 VanDerWaalsContact O-N 3.12Å; I106-N120 PolarHBondContact O-N 3.08Å; I106-L124 HydrophobicContact CB-CD2 4.39Å; I106-L124 HydrophobicContact CG1-CD2 4.01Å; I106-L124 HydrophobicContact CG2-CD2 4.21Å
107L94.2Very high94.7Very high0 Ų077.9 Ų77.90%036%0.362CS..EExtended strand (participates in β ladder)trans-145.3155174.667.291.4000110.1L98 Y101 Y102 Y117 K118 F119L98-L107 HydrophobicContact CD2-CD2 3.93Å; Y101-L107 HydrophobicContact CD2-CD2 3.82Å; Y101-L107 HydrophobicContact CG-CD2 4.31Å; Y102-L107 WeakPolarHBondContact CA-O 3.47Å; Y102-L107 HydrophobicContact CD1-CD1 3.87Å; Y102-L107 HydrophobicContact CE1-CD1 3.76Å; L107-Y117 HydrophobicContact CD1-CD1 3.65Å; L107-Y117 HydrophobicContact CD1-CE1 4.44Å; L107-Y117 HydrophobicContact CD1-CG 4.26Å; L107-K118 CarbonylContact C-O 3.53Å; L107-K118 VanDerWaalsContact CA-O 3.29Å; L107-K118 WeakPolarHBondContact CA-O 3.21Å; L107-F119 HydrophobicContact CB-CD1 4.26Å
108H95.1Very high94.7Very high53 Ų5380 Ų8025%0.24537%0.366CS..EExtended strand (participates in β ladder)trans-116.8151.1176.4-63.783.1000109.9R105 Y117 K118 N120R105-H108 WeakPolarHBondContact CD-NE2 3.43Å; R105-H108 PolarHBondContact NH1-NE2 3.3Å; H108-Y117 WeakPolarHBondContact O-CA 3.48Å; H108-K118 PolarHBondContact N-O 2.81Å; H108-K118 PolarHBondContact O-N 3.5Å; H108-N120 PolarHBondContact CE1-ND2 3.15Å
109K95.4Very high94.5Very high68 Ų6880.3 Ų80.330%0.29637%0.367SS..EExtended strand (participates in β ladder)trans-82.2120.8173.217661.3-163.7154.50109.8Y102 K111 K113 T116 Y117Y102-K109 HydrophobicContact CE1-CB 3.85Å; Y102-K109 HydrophobicContact CE2-CB 4.15Å; K109-K111 PolarHBondContact O-N 3.11Å; K109-K113 WeakPolarHBondContact CE-O 3.43Å; K109-K113 PolarHBondContact NZ-O 3.39Å; K109-T116 WeakPolarHBondContact CD-O 3.33Å; K109-T116 PolarHBondContact NZ-O 3.47Å; K109-Y117 HydrophobicContact CB-CD1 4.39Å; K109-Y117 HydrophobicContact CB-CE1 4.4Å; K109-Y117 HydrophobicContact CD-CD1 3.87Å; K109-Y117 HydrophobicContact CD-CE1 3.51Å; K109-Y117 HydrophobicContact CG-CE1 4.5Å
110T96.3Very high94.2Very high22 Ų2275.5 Ų75.514%0.13535%0.352CS..PPolyproline II helixtrans-63.5122.8169.2-47.20000109E67 K113E67-T110 WeakPolarHBondContact OE1-CB 3.27Å; E67-T110 WeakPolarHBondContact OE1-CG2 3.46Å; E67-T110 PolarHBondContact OE1-OG1 2.87Å; T110-K113 HydrophobicContact CG2-CB 4.2Å; T110-K113 HydrophobicContact CG2-CD 3.89Å; T110-K113 HydrophobicContact CG2-CG 3.98Å
111K94.6Very high93.5Very high194 Ų19470.9 Ų70.984%0.84334%0.335SS*.SBendtrans-69.4152175.3-65.3-178.2178.9-179.70109.7K109 K113K109-K111 PolarHBondContact O-N 3.11Å; K111-K113 PolarHBondContact O-N 3.3Å
112G95.1Very high92.4Very high89 Ų8973.5 Ų73.592%0.91836%0.358SS*.SBendtrans73.4-40.6-179.400000115.8
113K95.3Very high91.1Very high91 Ų9176 Ų7640%0.39637%0.37SS..SBendtrans-85.1126.7-176.5-53.1-171.7-167.2173.20112.4E67 K109 T110 K111 T116E67-K113 IonicContact OE2-NZ 2.68Å; E67-K113 PolarHBondContact OE2-NZ 3Å; K109-K113 WeakPolarHBondContact CE-O 3.43Å; K109-K113 PolarHBondContact NZ-O 3.39Å; T110-K113 HydrophobicContact CG2-CB 4.2Å; T110-K113 HydrophobicContact CG2-CD 3.89Å; T110-K113 HydrophobicContact CG2-CG 3.98Å; K111-K113 PolarHBondContact O-N 3.3Å; K113-T116 HydrophobicContact CB-CG2 4.43Å; K113-T116 VanDerWaalsContact CB-OG1 3.3Å; K113-T116 WeakPolarHBondContact CB-OG1 3.36Å; K113-T116 HydrophobicContact CD-CG2 4.15Å
114R96.5Very high89.8Confident197 Ų19769.7 Ų69.774%0.74334%0.336SS*.SBendtrans-68.5142.1172.3-67.3-171.971.4-177.21.7110.4T116R114-T116 PolarHBondContact O-N 3.5Å; R114-T116 PolarHBondContact O-OG1 3.32Å; R114-T116 VanDerWaalsContact O-OG1 3.08Å
115F97.7Very high88.4Confident58 Ų5866.4 Ų66.425%0.25433%0.325SS..SBendtrans54.22.7176.3-48.7-56.5000118.2I70 P73 Y91 Y117I70-F115 HydrophobicContact CB-CB 4.23Å; I70-F115 PolarHBondContact N-O 3.27Å; I70-F115 WeakPolarHBondContact O-CB 3.28Å; P73-F115 HydrophobicContact CB-CE1 4.39Å; P73-F115 HydrophobicContact CG-CE2 4.45Å; P73-F115 HydrophobicContact CG-CZ 4.27Å; Y91-F115 HydrophobicContact CD1-CE1 4.24Å; Y91-F115 AromaticContact CE1-CD1 3.85Å; Y91-F115 HydrophobicContact CE1-CD1 3.85Å; Y91-F115 AromaticContact CE1-CE1 3.7Å; Y91-F115 HydrophobicContact CE1-CE1 3.7Å; Y91-F115 AromaticContact CZ-CD1 3.77Å; F115-Y117 WeakPolarHBondContact O-CD2 3.19Å; F115-Y117 VanDerWaalsContact O-CE2 3.28Å; F115-Y117 WeakPolarHBondContact O-CE2 3.2Å
116T97.4Very high86.7Confident4 Ų465.4 Ų65.43%0.02533%0.328CS..EExtended strand (participates in β ladder)trans-87.5140.1175.2-40.50000113.3Q61 E67 F68 V69 K109 K113 R114Q61-T116 HydrophobicContact CG-CG2 4.1Å; E67-T116 HydrophobicContact CG-CG2 3.37Å; E67-T116 WeakPolarHBondContact OE2-CG2 3.29Å; F68-T116 CarbonylContact O-C 3.55Å; F68-T116 VanDerWaalsContact O-CA 3.27Å; F68-T116 WeakPolarHBondContact O-CA 3.47Å; F68-T116 VanDerWaalsContact O-CG2 3.22Å; F68-T116 WeakPolarHBondContact O-CG2 3.27Å; V69-T116 HydrophobicContact CB-CG2 4.35Å; K109-T116 WeakPolarHBondContact CD-O 3.33Å; K109-T116 PolarHBondContact NZ-O 3.47Å; K113-T116 HydrophobicContact CB-CG2 4.43Å; K113-T116 VanDerWaalsContact CB-OG1 3.3Å; K113-T116 WeakPolarHBondContact CB-OG1 3.36Å; K113-T116 HydrophobicContact CD-CG2 4.15Å; R114-T116 PolarHBondContact O-N 3.5Å; R114-T116 PolarHBondContact O-OG1 3.32Å; R114-T116 VanDerWaalsContact O-OG1 3.08Å
117Y97.4Very high84.8Confident13 Ų1368.7 Ų68.75%0.05135%0.349CS..EExtended strand (participates in β ladder)trans-143.6152.4-178.6-62.5-89.2000110E67 F68 I70 Y91 L98 Y102 L107 H108 K109 F115E67-Y117 WeakPolarHBondContact CA-O 3.48Å; F68-Y117 VanDerWaalsContact CD1-O 3.23Å; F68-Y117 WeakPolarHBondContact CD1-O 3.5Å; F68-Y117 HydrophobicContact CE2-CD2 4.24Å; F68-Y117 HydrophobicContact CZ-CD2 4.34Å; F68-Y117 HydrophobicContact CZ-CG 4.26Å; F68-Y117 PolarHBondContact N-O 3.48Å; F68-Y117 PolarHBondContact O-N 3.04Å; F68-Y117 VanDerWaalsContact O-O 3.14Å; I70-Y117 HydrophobicContact CD1-CD2 4.49Å; I70-Y117 HydrophobicContact CD1-CE2 4.33Å; Y91-Y117 PolarHBondContact OH-OH 3.02Å; L98-Y117 HydrophobicContact CB-CE1 4.25Å; L98-Y117 HydrophobicContact CD1-CD2 4.35Å; L98-Y117 HydrophobicContact CD1-CE1 4.17Å; L98-Y117 HydrophobicContact CD1-CE2 3.78Å; Y102-Y117 HydrophobicContact CE1-CD1 4.25Å; Y102-Y117 HydrophobicContact CE1-CE1 4.08Å; L107-Y117 HydrophobicContact CD1-CD1 3.65Å; L107-Y117 HydrophobicContact CD1-CE1 4.44Å; L107-Y117 HydrophobicContact CD1-CG 4.26Å; H108-Y117 WeakPolarHBondContact O-CA 3.48Å; K109-Y117 HydrophobicContact CB-CD1 4.39Å; K109-Y117 HydrophobicContact CB-CE1 4.4Å; K109-Y117 HydrophobicContact CD-CD1 3.87Å; K109-Y117 HydrophobicContact CD-CE1 3.51Å; K109-Y117 HydrophobicContact CG-CE1 4.5Å; F115-Y117 WeakPolarHBondContact O-CD2 3.19Å; F115-Y117 VanDerWaalsContact O-CE2 3.28Å; F115-Y117 WeakPolarHBondContact O-CE2 3.2Å
118K95.2Very high82.7Confident72 Ų7269.3 Ų69.331%0.31335%0.352SS..EExtended strand (participates in β ladder)trans-120.3119.3179.7-166.7163.9-168.5174.70111.2E64 Y65 G66 E67 L107 H108E64-K118 IonicContact OE2-NZ 2.75Å; E64-K118 PolarHBondContact OE2-NZ 3.03Å; Y65-K118 WeakPolarHBondContact O-CE 3.38Å; G66-K118 CarbonylContact O-C 3.38Å; G66-K118 WeakPolarHBondContact O-CA 3.32Å; E67-K118 HydrophobicContact CB-CB 4.34Å; E67-K118 HydrophobicContact CB-CD 4.23Å; E67-K118 HydrophobicContact CB-CG 4.15Å; L107-K118 CarbonylContact C-O 3.53Å; L107-K118 VanDerWaalsContact CA-O 3.29Å; L107-K118 WeakPolarHBondContact CA-O 3.21Å; H108-K118 PolarHBondContact N-O 2.81Å; H108-K118 PolarHBondContact O-N 3.5Å
119F94.3Very high80.3Confident7 Ų773 Ų733%0.03137%0.365CS..EExtended strand (participates in β ladder)trans-64.6137.1172.8-83.2-71.6000110.1W42 I45 L46 L49 W60 G66 F68 L107 F121 L124W42-F119 HydrophobicContact CB-CE1 4.23Å; W42-F119 HydrophobicContact CE3-CE1 4.45Å; I45-F119 HydrophobicContact CB-CZ 4.43Å; I45-F119 HydrophobicContact CG2-CE2 3.97Å; I45-F119 HydrophobicContact CG2-CZ 3.83Å; L46-F119 HydrophobicContact CD1-CE1 4.47Å; L46-F119 HydrophobicContact CD1-CZ 4.44Å; L46-F119 HydrophobicContact CD2-CD2 3.88Å; L46-F119 HydrophobicContact CD2-CE1 4.25Å; L46-F119 HydrophobicContact CD2-CE2 3.46Å; L46-F119 VanDerWaalsContact CD2-CE2 3.46Å; L46-F119 HydrophobicContact CD2-CG 4.44Å; L46-F119 HydrophobicContact CD2-CZ 3.67Å; L46-F119 HydrophobicContact CG-CE1 4.2Å; L46-F119 HydrophobicContact CG-CE2 4.02Å; L46-F119 HydrophobicContact CG-CZ 3.69Å; L49-F119 HydrophobicContact CD1-CE2 3.99Å; W60-F119 AromaticContact CH2-CD2 3.73Å; W60-F119 HydrophobicContact CH2-CD2 3.73Å; W60-F119 HydrophobicContact CH2-CE2 4.07Å; W60-F119 AromaticContact CZ3-CD2 3.87Å; W60-F119 HydrophobicContact CZ3-CD2 3.87Å; W60-F119 HydrophobicContact CZ3-CE2 4.44Å; G66-F119 PolarHBondContact O-N 2.84Å; F68-F119 AromaticContact CD1-CD2 3.55Å; F68-F119 HydrophobicContact CD1-CD2 3.55Å; F68-F119 AromaticContact CD1-CE2 3.56Å; F68-F119 HydrophobicContact CD1-CE2 3.56Å; F68-F119 AromaticContact CE1-CD2 3.45Å; F68-F119 HydrophobicContact CE1-CD2 3.45Å; F68-F119 VanDerWaalsContact CE1-CD2 3.45Å; F68-F119 AromaticContact CE1-CE2 3.24Å; F68-F119 HydrophobicContact CE1-CE2 3.24Å; F68-F119 HydrophobicContact CE1-CG 4.26Å; F68-F119 AromaticContact CE1-CZ 3.92Å; F68-F119 HydrophobicContact CE1-CZ 3.92Å; F68-F119 AromaticContact CZ-CE2 4Å; F68-F119 HydrophobicContact CZ-CE2 4Å; F68-F119 HydrophobicContact CZ-CZ 4.36Å; L107-F119 HydrophobicContact CB-CD1 4.26Å; F119-F121 HydrophobicContact CB-CD1 4.34Å; F119-F121 HydrophobicContact CB-CD2 4.34Å; F119-F121 HydrophobicContact CB-CE1 4.05Å; F119-F121 HydrophobicContact CB-CE2 4.1Å; F119-F121 HydrophobicContact CB-CG 4.48Å; F119-F121 HydrophobicContact CB-CZ 3.94Å; F119-F121 HydrophobicContact CD2-CZ 4.48Å; F119-F121 HydrophobicContact CG-CE1 4.43Å; F119-F121 HydrophobicContact CG-CZ 4.39Å; F119-F121 PolarHBondContact O-N 3.03Å; F119-L124 HydrophobicContact CD1-CD1 3.79Å
120N90.2Very high77.9Confident44 Ų4473.7 Ų73.724%0.23538%0.376CS..  trans-9378.7173.1-164.7-75.1000108.9R105 I106 H108 S122 K123 L124R105-N120 WeakPolarHBondContact O-CB 3.32Å; I106-N120 PolarHBondContact O-N 3.08Å; H108-N120 PolarHBondContact CE1-ND2 3.15Å; N120-S122 PolarHBondContact O-N 3.12Å; N120-K123 PolarHBondContact O-N 3.11Å; N120-K123 VanDerWaalsContact OD1-CB 3.26Å; N120-K123 WeakPolarHBondContact OD1-CB 3.32Å; N120-K123 WeakPolarHBondContact OD1-CG 3.48Å; N120-K123 PolarHBondContact OD1-N 2.92Å; N120-L124 PolarHBondContact O-N 3.28Å
121F80.4Confident75.3Confident44 Ų4480.5 Ų80.519%0.19341%0.411CS..Hα-helixtrans-58.6-35.3-177.2-71.9-57000112.7L46 W60 Y65 F119 K123 L124 I125L46-F121 HydrophobicContact CD2-CE1 4.39Å; L46-F121 HydrophobicContact CD2-CZ 4.44Å; W60-F121 HydrophobicContact CH2-CE2 4.41Å; W60-F121 AromaticContact CH2-CZ 3.85Å; W60-F121 HydrophobicContact CH2-CZ 3.85Å; W60-F121 HydrophobicContact CZ3-CZ 4.37Å; Y65-F121 HydrophobicContact CD1-CD2 4.46Å; Y65-F121 HydrophobicContact CE1-CB 4.4Å; Y65-F121 AromaticContact CE1-CD2 3.64Å; Y65-F121 HydrophobicContact CE1-CD2 3.64Å; Y65-F121 HydrophobicContact CE1-CE2 4.38Å; Y65-F121 HydrophobicContact CE1-CG 4.43Å; Y65-F121 HydrophobicContact CE2-CD2 4.09Å; Y65-F121 HydrophobicContact CE2-CE2 4.02Å; Y65-F121 AromaticContact CZ-CD2 3.41Å; Y65-F121 VanDerWaalsContact CZ-CD2 3.41Å; Y65-F121 AromaticContact CZ-CE2 3.79Å; Y65-F121 VanDerWaalsContact OH-CD2 3.29Å; Y65-F121 WeakPolarHBondContact OH-CD2 3.47Å; F119-F121 HydrophobicContact CB-CD1 4.34Å; F119-F121 HydrophobicContact CB-CD2 4.34Å; F119-F121 HydrophobicContact CB-CE1 4.05Å; F119-F121 HydrophobicContact CB-CE2 4.1Å; F119-F121 HydrophobicContact CB-CG 4.48Å; F119-F121 HydrophobicContact CB-CZ 3.94Å; F119-F121 HydrophobicContact CD2-CZ 4.48Å; F119-F121 HydrophobicContact CG-CE1 4.43Å; F119-F121 HydrophobicContact CG-CZ 4.39Å; F119-F121 PolarHBondContact O-N 3.03Å; F121-K123 PolarHBondContact O-N 3.33Å; F121-L124 HydrophobicContact CD1-CD1 4.19Å; F121-L124 PolarHBondContact O-N 3.3Å; F121-I125 WeakPolarHBondContact O-CB 3.23Å; F121-I125 WeakPolarHBondContact O-CD1 3.27Å; F121-I125 WeakPolarHBondContact O-CG1 3.35Å; F121-I125 PolarHBondContact O-N 3.19Å
122S72.4Confident72.9Confident85 Ų8576.3 Ų76.359%0.59439%0.39SS*.Hα-helixtrans-56.1-48.5175.3-41.70000112.8N120 I126N120-S122 PolarHBondContact O-N 3.12Å; S122-I126 WeakPolarHBondContact O-CD1 3.41Å; S122-I126 VanDerWaalsContact O-CG1 3.26Å; S122-I126 WeakPolarHBondContact O-CG1 3.33Å; S122-I126 PolarHBondContact O-N 3.08Å
123K65.4Low70.3Confident109 Ų10977.6 Ų77.647%0.47437%0.372SS..Hα-helixtrans-82.4-25.8178-70.3-162.7168.4-164.60114R105 N120 F121 V127R105-K123 HydrophobicContact CB-CB 4.44Å; R105-K123 HydrophobicContact CB-CD 3.88Å; R105-K123 HydrophobicContact CG-CD 4.21Å; N120-K123 PolarHBondContact O-N 3.11Å; N120-K123 VanDerWaalsContact OD1-CB 3.26Å; N120-K123 WeakPolarHBondContact OD1-CB 3.32Å; N120-K123 WeakPolarHBondContact OD1-CG 3.48Å; N120-K123 PolarHBondContact OD1-N 2.92Å; F121-K123 PolarHBondContact O-N 3.33Å; K123-V127 WeakPolarHBondContact O-CB 3.26Å; K123-V127 VanDerWaalsContact O-CG2 3.23Å; K123-V127 WeakPolarHBondContact O-CG2 3.3Å; K123-V127 PolarHBondContact O-N 3.49Å
124L63.3Low67.6Low13 Ų1379.7 Ų79.77%0.06839%0.392CS..Hα-helixtrans-61.2-48.7166.6-80.5172.7000110.3W42 I106 F119 N120 F121 V127 N128W42-L124 HydrophobicContact CE3-CD2 4.28Å; W42-L124 HydrophobicContact CH2-CD2 3.85Å; W42-L124 HydrophobicContact CZ2-CD2 4.28Å; W42-L124 HydrophobicContact CZ3-CD1 4.4Å; W42-L124 HydrophobicContact CZ3-CD2 3.86Å; I106-L124 HydrophobicContact CB-CD2 4.39Å; I106-L124 HydrophobicContact CG1-CD2 4.01Å; I106-L124 HydrophobicContact CG2-CD2 4.21Å; F119-L124 HydrophobicContact CD1-CD1 3.79Å; N120-L124 PolarHBondContact O-N 3.28Å; F121-L124 HydrophobicContact CD1-CD1 4.19Å; F121-L124 PolarHBondContact O-N 3.3Å; L124-V127 PolarHBondContact O-N 2.99Å; L124-N128 WeakPolarHBondContact O-CB 3.32Å; L124-N128 PolarHBondContact O-N 3.37Å
125I59.8Low64.8Low81 Ų8179 Ų7942%0.41539%0.39SS..Hα-helixtrans-58.7-48.9175.8-68.4163.1000110.4F121 V127 N128 Y129 L164F121-I125 WeakPolarHBondContact O-CB 3.23Å; F121-I125 WeakPolarHBondContact O-CD1 3.27Å; F121-I125 WeakPolarHBondContact O-CG1 3.35Å; F121-I125 PolarHBondContact O-N 3.19Å; I125-V127 VanDerWaalsContact C-N 3.31Å; I125-V127 PolarHBondContact O-N 3.04Å; I125-N128 CarbonylContact O-C 3.51Å; I125-N128 PolarHBondContact O-N 3.26Å; I125-Y129 WeakPolarHBondContact O-CA 3.39Å; I125-Y129 VanDerWaalsContact O-CB 3.27Å; I125-Y129 WeakPolarHBondContact O-CB 3.41Å; I125-Y129 PolarHBondContact O-N 3.25Å; I125-L164 HydrophobicContact CD1-CD1 4.16Å
126I53.3Low62.1Low110 Ų11081.3 Ų81.356%0.56441%0.408SS*.Hα-helixtrans-60.9-36.4178.2-68162000112.7S122 Y129S122-I126 WeakPolarHBondContact O-CD1 3.41Å; S122-I126 VanDerWaalsContact O-CG1 3.26Å; S122-I126 WeakPolarHBondContact O-CG1 3.33Å; S122-I126 PolarHBondContact O-N 3.08Å; I126-Y129 CarbonylContact O-C 3.57Å
127V51.2Low59.2Low88 Ų8886 Ų8653%0.53344%0.439SS..Hα-helixtrans-81.9-22.9178.8176.10000112.4W26 K123 L124 I125W26-V127 HydrophobicContact CZ2-CG1 4.1Å; W26-V127 WeakPolarHBondContact CZ2-O 3.02Å; W26-V127 PolarHBondContact NE1-O 3.34Å; K123-V127 WeakPolarHBondContact O-CB 3.26Å; K123-V127 VanDerWaalsContact O-CG2 3.23Å; K123-V127 WeakPolarHBondContact O-CG2 3.3Å; K123-V127 PolarHBondContact O-N 3.49Å; L124-V127 PolarHBondContact O-N 2.99Å; I125-V127 VanDerWaalsContact C-N 3.31Å; I125-V127 PolarHBondContact O-N 3.04Å
128N50.7Low56.2Low14 Ų1490.9 Ų90.98%0.07547%0.472CS..Hα-helixtrans-81.4-30.6170.4-122.6-33.3000111.8P24 W26 L124 I125 P130 W132P24-N128 HydrophobicContact CB-CB 4.41Å; P24-N128 WeakPolarHBondContact CB-O 3.36Å; P24-N128 WeakPolarHBondContact CB-OD1 3.15Å; P24-N128 HydrophobicContact CG-CB 3.83Å; P24-N128 WeakPolarHBondContact CG-O 3.32Å; W26-N128 HydrophobicContact CH2-CB 4.47Å; W26-N128 HydrophobicContact CZ2-CB 3.83Å; W26-N128 VanDerWaalsContact CZ2-OD1 3.28Å; W26-N128 WeakPolarHBondContact CZ2-OD1 3.27Å; W26-N128 PolarHBondContact NE1-OD1 2.68Å; L124-N128 WeakPolarHBondContact O-CB 3.32Å; L124-N128 PolarHBondContact O-N 3.37Å; I125-N128 CarbonylContact O-C 3.51Å; I125-N128 PolarHBondContact O-N 3.26Å; N128-P130 WeakPolarHBondContact O-CD 3.39Å; N128-W132 PolarHBondContact O-NE1 2.93Å; N128-W132 VanDerWaalsContact O-NE1 3.13Å
129Y45Very low53.9Low130 Ų13092 Ų9251%0.5149%0.489SS..  trans-114.955.4-178.8-124.5-75000113P24 I125 I126 L131 W132P24-Y129 HydrophobicContact CG-CD2 3.76Å; P24-Y129 HydrophobicContact CG-CE2 4.16Å; I125-Y129 WeakPolarHBondContact O-CA 3.39Å; I125-Y129 VanDerWaalsContact O-CB 3.27Å; I125-Y129 WeakPolarHBondContact O-CB 3.41Å; I125-Y129 PolarHBondContact O-N 3.25Å; I126-Y129 CarbonylContact O-C 3.57Å; Y129-L131 PolarHBondContact O-N 3.33Å; Y129-W132 AromaticContact CD1-NE1 3.86Å; Y129-W132 HydrophobicContact CE2-CZ2 4.09Å; Y129-W132 AromaticContact CG-NE1 3.83Å
130P44.2Very low51.4Low82 Ų8297.6 Ų97.653%0.53253%0.526SS..SBendtrans-74.771.2178.533.8-38.7000111.6N128 W132N128-P130 WeakPolarHBondContact O-CD 3.39Å; P130-W132 PolarHBondContact O-N 3.41Å
131L42.4Very low48.9Very low165 Ų165103.6 Ų103.686%0.86455%0.552SS**SBendtrans52.726.5173.6-165.257.7000114.2Y129 E133Y129-L131 PolarHBondContact O-N 3.33Å; L131-E133 PolarHBondContact O-N 2.97Å
132W43.1Very low47.1Very low107 Ų107109.8 Ų109.841%0.40559%0.587SS.*  trans-75.595-174.962.7-83000110.8P24 N128 Y129 P130P24-W132 HydrophobicContact CB-CZ2 3.57Å; P24-W132 HydrophobicContact CG-CZ2 3.88Å; N128-W132 PolarHBondContact O-NE1 2.93Å; N128-W132 VanDerWaalsContact O-NE1 3.13Å; Y129-W132 AromaticContact CD1-NE1 3.86Å; Y129-W132 HydrophobicContact CE2-CZ2 4.09Å; Y129-W132 AromaticContact CG-NE1 3.83Å; P130-W132 PolarHBondContact O-N 3.41Å
133E40.7Very low45.9Very low115 Ų115113.8 Ų113.854%0.53760%0.6SS.*  trans60.896.3164.2-56.8-169.3150.100116.6L131 R135L131-E133 PolarHBondContact O-N 2.97Å; E133-R135 HydrophobicContact CB-CB 4.12Å; E133-R135 VanDerWaalsContact CD-NE 3.29Å; E133-R135 PolarHBondContact O-N 2.67Å; E133-R135 IonicContact OE1-CZ 3.63Å; E133-R135 IonicContact OE1-NE 3.81Å; E133-R135 PolarHBondContact OE1-NE 3.06Å; E133-R135 IonicContact OE1-NH2 2.85Å; E133-R135 PolarHBondContact OE1-NH2 3.19Å; E133-R135 IonicContact OE2-CZ 3.03Å; E133-R135 IonicContact OE2-NE 2.63Å; E133-R135 PolarHBondContact OE2-NE 3.31Å; E133-R135 IonicContact OE2-NH2 3.56Å; E133-R135 PolarHBondContact OE2-NH2 2.73Å
134V39.4Very low44.7Very low135 Ų135117.1 Ų117.182%0.81862%0.622SS**  trans-6765.4134.8-174.60000108.2V136V134-V136 VanDerWaalsContact C-N 3.28Å; V134-V136 HydrophobicContact CG1-CG2 4.04Å; V134-V136 PolarHBondContact O-N 2.81Å
135R38.4Very low43.6Very low183 Ų183120.2 Ų120.269%0.69166%0.658SS**  trans-79.391.1154.6-108.2-163.3-78.9-159.3-10105.6E133E133-R135 HydrophobicContact CB-CB 4.12Å; E133-R135 VanDerWaalsContact CD-NE 3.29Å; E133-R135 PolarHBondContact O-N 2.67Å; E133-R135 IonicContact OE1-CZ 3.63Å; E133-R135 IonicContact OE1-NE 3.81Å; E133-R135 PolarHBondContact OE1-NE 3.06Å; E133-R135 IonicContact OE1-NH2 2.85Å; E133-R135 PolarHBondContact OE1-NH2 3.19Å; E133-R135 IonicContact OE2-CZ 3.03Å; E133-R135 IonicContact OE2-NE 2.63Å; E133-R135 PolarHBondContact OE2-NE 3.31Å; E133-R135 IonicContact OE2-NH2 3.56Å; E133-R135 PolarHBondContact OE2-NH2 2.73Å
136V40.8Very low42.4Very low107 Ų107120.6 Ų120.665%0.64867%0.673SS**  trans-49.1123.7158.6-179.40000106V134V134-V136 VanDerWaalsContact C-N 3.28Å; V134-V136 HydrophobicContact CG1-CG2 4.04Å; V134-V136 PolarHBondContact O-N 2.81Å
137P36.2Very low41.8Very low102 Ų102122 Ų12266%0.66269%0.689SS**  trans-58.1131176.724.7-33000107.4S139P137-S139 PolarHBondContact O-N 3.24Å
138P34.3Very low41.1Very low115 Ų115121.5 Ų121.575%0.74770%0.695SS**  trans-60.3109-179.724.3-32.6000108
139S47.4Very low40.9Very low95 Ų95129.5 Ų129.566%0.66474%0.736SS**PPolyproline II helixtrans-58.4135.1176.834.80000108.5P137 H141P137-S139 PolarHBondContact O-N 3.24Å; S139-H141 PolarHBondContact O-N 2.76Å
140P41.8Very low40.3Very low126 Ų126128.7 Ų128.782%0.81875%0.748SS**PPolyproline II helixtrans-51.6127.2-177-29.435.9000111.4L142P140-L142 PolarHBondContact O-N 3.12Å
141H37.4Very low39.9Very low170 Ų170133.6 Ų133.679%0.78776%0.764SS**PPolyproline II helixtrans-57.2118.2-164.8-55.5-82000112.8S139S139-H141 PolarHBondContact O-N 2.76Å
142L42.9Very low39.7Very low174 Ų174132.1 Ų132.191%0.91176%0.764SS**PPolyproline II helixtrans-92.8127.4151.3-70.2-177.7000108.7P140 L144P140-L142 PolarHBondContact O-N 3.12Å; L142-L144 PolarHBondContact O-N 2.9Å
143L45.8Very low39.2Very low168 Ų168131.2 Ų131.288%0.8878%0.78SS**  trans-79110.6-173.8-72.1162.5000111.6
144L41Very low39.4Very low179 Ų179133.7 Ų133.794%0.93780%0.796SS**  trans-159.1145133.2-143.457.8000110.8L142L142-L144 PolarHBondContact O-N 2.9Å
145G40.2Very low39.5Very low79 Ų79133 Ų13381%0.81479%0.792SS**  trans-103.6128.3-169.400000114.7
146A34.7Very low39.6Very low88 Ų88129.5 Ų129.573%0.72779%0.792SS**  trans-160.4137.115500000110.2A148A146-A148 PolarHBondContact O-N 3.09Å
147P40Very low39.8Very low139 Ų139131.3 Ų131.390%0.90380%0.803SS**  trans-85.591174.533.1-31.9000110.9
148A36Very low40.1Very low79 Ų79128.4 Ų128.465%0.65379%0.793SS**  trans-91128.1171.200000111A146 C150A146-A148 PolarHBondContact O-N 3.09Å; A148-C150 PolarHBondContact O-N 3.3Å
149L47.9Very low40.5Very low182 Ų182128.5 Ų128.595%0.95379%0.791SS**  trans-71.6119.9167.5-71.6169000109
150C31.5Very low40.3Very low113 Ų113131.5 Ų131.576%0.76479%0.794SS**  trans-122.6134.1175.3-65.50000111A148A148-C150 PolarHBondContact O-N 3.3Å
151Q36.5Very low40.3Very low185 Ų185129.1 Ų129.186%0.86478%0.78SS**  trans-70.8159.7176.7-65.9-177.6-80.200111.8A153Q151-A153 PolarHBondContact O-N 3.45Å
152P37Very low40.3Very low133 Ų133127.5 Ų127.586%0.86477%0.773SS**  trans-64.6104.5166.7-16.530.9000110.6
153A32.8Very low40.5Very low89 Ų89124.9 Ų124.974%0.73676%0.759SS**  trans-70.7133.2168.800000109.9Q151 V155Q151-A153 PolarHBondContact O-N 3.45Å; A153-V155 PolarHBondContact O-N 3.25Å
154L46.2Very low40.8Very low166 Ų166120.3 Ų120.387%0.86974%0.736SS**  trans-84.2113.6-173.8-167.3158.4000110.3
155V39.6Very low40.8Very low122 Ų122117.7 Ų117.774%0.73972%0.718SS**  trans-106.5138.2-179.9-174.40000110.2A153A153-V155 PolarHBondContact O-N 3.25Å
156P40.8Very low40.9Very low108 Ų108117.2 Ų117.270%0.70170%0.702SS**  trans-76.7150.9-159.9-19.634.7000116.8G158P156-G158 PolarHBondContact O-N 3.21Å
157V45.8Very low41.5Very low145 Ų145115.8 Ų115.888%0.87968%0.682SS**SBendtrans-8152.7179.2-164.10000111.9
158G43.2Very low42.2Very low42 Ų42112.3 Ų112.343%0.43366%0.655SS.*  trans-96-67.1-179.900000113.6P156 Q160 S161P156-G158 PolarHBondContact O-N 3.21Å; G158-Q160 VanDerWaalsContact C-N 3.29Å; G158-Q160 PolarHBondContact O-N 3.29Å; G158-Q160 VanDerWaalsContact O-N 3.12Å; G158-S161 PolarHBondContact O-N 3.33Å
159V42.8Very low42.7Very low117 Ų117114.7 Ų114.771%0.70965%0.651SS**Hα-helixtrans-64.8-24.9-158.8-159.80000114.7S161V159-S161 PolarHBondContact O-N 3.1Å
160Q42.1Very low42.7Very low158 Ų158109.7 Ų109.774%0.73863%0.628SS**Hα-helixtrans-73.8-23.2-174.8-67.8-72.620.200114.2G158G158-Q160 VanDerWaalsContact C-N 3.29Å; G158-Q160 PolarHBondContact O-N 3.29Å; G158-Q160 VanDerWaalsContact O-N 3.12Å
161S42.8Very low43.5Very low75 Ų75109.5 Ų109.552%0.52462%0.616SS.*Hα-helixtrans-76.4-35.7-179.9-62.60000112G158 V159 H165G158-S161 PolarHBondContact O-N 3.33Å; V159-S161 PolarHBondContact O-N 3.1Å; S161-H165 WeakPolarHBondContact O-CB 3.37Å; S161-H165 PolarHBondContact O-N 3.19Å
162E37.5Very low43.8Very low137 Ų137105.7 Ų105.764%0.6460%0.598SS**Hα-helixtrans-70.4-38.5-170.7-60.2-174.3134.900112.7L164 H165 S166E162-L164 PolarHBondContact O-N 2.77Å; E162-H165 WeakPolarHBondContact O-CB 3.28Å; E162-H165 PolarHBondContact O-N 3.23Å; E162-S166 WeakPolarHBondContact O-CB 3.49Å; E162-S166 PolarHBondContact O-N 2.84Å
163L46.9Very low44Very low118 Ų118101.5 Ų101.562%0.61857%0.574SS**Hα-helixtrans-65.8-37.8-179-154.392.7000112.4M167L163-M167 PolarHBondContact O-N 3.44Å
164L50.8Low44.3Very low73 Ų73103.5 Ų103.538%0.38257%0.57SS.*Hα-helixtrans-77.9-33.8173.7-71.8178.9000112.1I125 E162 S166 M167 L168I125-L164 HydrophobicContact CD1-CD1 4.16Å; E162-L164 PolarHBondContact O-N 2.77Å; L164-S166 VanDerWaalsContact C-N 3.31Å; L164-S166 PolarHBondContact O-N 2.73Å; L164-M167 HydrophobicContact CD2-CE 3.99Å; L164-L168 WeakPolarHBondContact O-CB 3.29Å; L164-L168 WeakPolarHBondContact O-CD1 3.32Å; L164-L168 WeakPolarHBondContact O-CG 3.29Å; L164-L168 PolarHBondContact O-N 2.93Å
165H42Very low44.5Very low123 Ų12397.7 Ų97.757%0.56954%0.541SS*.Hα-helixtrans-56.7-48.5168.5-117.7-106.4000110.4S161 E162 L168 F169S161-H165 WeakPolarHBondContact O-CB 3.37Å; S161-H165 PolarHBondContact O-N 3.19Å; E162-H165 WeakPolarHBondContact O-CB 3.28Å; E162-H165 PolarHBondContact O-N 3.23Å; H165-L168 PolarHBondContact O-N 2.66Å; H165-F169 WeakPolarHBondContact O-CB 3.39Å; H165-F169 PolarHBondContact O-N 3.34Å
166S41.3Very low44.6Very low69 Ų6997.3 Ų97.348%0.48353%0.531SS..Hα-helixtrans-55.2-53.4178.9177.40000113.2E162 L164 L168 F169 T170E162-S166 WeakPolarHBondContact O-CB 3.49Å; E162-S166 PolarHBondContact O-N 2.84Å; L164-S166 VanDerWaalsContact C-N 3.31Å; L164-S166 PolarHBondContact O-N 2.73Å; S166-L168 VanDerWaalsContact C-N 3.25Å; S166-L168 PolarHBondContact O-N 3.19Å; S166-F169 PolarHBondContact O-N 2.82Å; S166-T170 WeakPolarHBondContact O-CG2 3.37Å; S166-T170 PolarHBondContact O-N 3.13Å; S166-T170 PolarHBondContact O-OG1 2.8Å
167M48.2Very low44.6Very low59 Ų5999.4 Ų99.429%0.29153%0.532SS..Hα-helixtrans-66.4-23.2179.2-80.8-166.7-67.300114.5L21 L163 L164 T170L21-M167 HydrophobicContact CD1-SD 4.24Å; L21-M167 HydrophobicContact CD2-CE 3.56Å; L21-M167 HydrophobicContact CD2-SD 4.27Å; L21-M167 HydrophobicContact CG-CE 3.78Å; L21-M167 HydrophobicContact CG-SD 3.87Å; L163-M167 PolarHBondContact O-N 3.44Å; L164-M167 HydrophobicContact CD2-CE 3.99Å; M167-T170 WeakPolarHBondContact CA-OG1 3.47Å; M167-T170 PolarHBondContact O-OG1 3.47Å; M167-T170 VanDerWaalsContact O-OG1 3.13Å
168L55Low44.4Very low66 Ų6698.5 Ų98.535%0.34652%0.522SS..Hα-helixtrans-87.1-34.1175.9-63.6175.3000111.5Y65 L164 H165 S166 H171 Q172Y65-L168 HydrophobicContact CD2-CD2 4.33Å; Y65-L168 HydrophobicContact CE1-CD1 3.98Å; Y65-L168 HydrophobicContact CE2-CD1 3.79Å; Y65-L168 HydrophobicContact CE2-CD2 3.45Å; Y65-L168 VanDerWaalsContact CE2-CD2 3.45Å; Y65-L168 HydrophobicContact CE2-CG 4.22Å; Y65-L168 VanDerWaalsContact CZ-CD1 3.47Å; Y65-L168 WeakPolarHBondContact OH-CD1 3.18Å; L164-L168 WeakPolarHBondContact O-CB 3.29Å; L164-L168 WeakPolarHBondContact O-CD1 3.32Å; L164-L168 WeakPolarHBondContact O-CG 3.29Å; L164-L168 PolarHBondContact O-N 2.93Å; H165-L168 PolarHBondContact O-N 2.66Å; S166-L168 VanDerWaalsContact C-N 3.25Å; S166-L168 PolarHBondContact O-N 3.19Å; L168-H171 PolarHBondContact O-N 3.19Å; L168-Q172 PolarHBondContact O-N 3.02Å
169F47Very low44.2Very low128 Ų128100.1 Ų100.156%0.56153%0.53SS*.Hα-helixtrans-65.5-40171.5-122.9-91.5000111.9H165 S166 H171 Q172 A173H165-F169 WeakPolarHBondContact O-CB 3.39Å; H165-F169 PolarHBondContact O-N 3.34Å; S166-F169 PolarHBondContact O-N 2.82Å; F169-H171 VanDerWaalsContact C-N 3.33Å; F169-H171 PolarHBondContact O-N 2.9Å; F169-Q172 PolarHBondContact O-N 2.58Å; F169-Q172 VanDerWaalsContact O-N 3.16Å; F169-A173 WeakPolarHBondContact O-CB 3.4Å; F169-A173 PolarHBondContact O-N 2.83Å
170T47.1Very low43.8Very low77 Ų7797.4 Ų97.447%0.47253%0.527SS..Hα-helixtrans-65.4-36.8175.751.90000111.5S166 M167 M174S166-T170 WeakPolarHBondContact O-CG2 3.37Å; S166-T170 PolarHBondContact O-N 3.13Å; S166-T170 PolarHBondContact O-OG1 2.8Å; M167-T170 WeakPolarHBondContact CA-OG1 3.47Å; M167-T170 PolarHBondContact O-OG1 3.47Å; M167-T170 VanDerWaalsContact O-OG1 3.13Å; T170-M174 VanDerWaalsContact O-CB 3.27Å; T170-M174 WeakPolarHBondContact O-CB 3.19Å; T170-M174 WeakPolarHBondContact O-CG 3.2Å; T170-M174 PolarHBondContact O-N 3.27Å
171H47.3Very low43.5Very low110 Ų11097.7 Ų97.751%0.50953%0.528SS..Hα-helixtrans-64.3-39.8170.4-173.2-75.6000112.2L168 F169 V175L168-H171 PolarHBondContact O-N 3.19Å; F169-H171 VanDerWaalsContact C-N 3.33Å; F169-H171 PolarHBondContact O-N 2.9Å; H171-V175 WeakPolarHBondContact O-CG2 3.18Å; H171-V175 PolarHBondContact O-N 2.73Å
172Q44.6Very low43.1Very low104 Ų104102 Ų10249%0.48654%0.54SS..Hα-helixtrans-66.1-47.8176.4-175.7165.2-22.400112L168 F169 M174 V175 E176L168-Q172 PolarHBondContact O-N 3.02Å; F169-Q172 PolarHBondContact O-N 2.58Å; F169-Q172 VanDerWaalsContact O-N 3.16Å; Q172-M174 PolarHBondContact O-N 3.3Å; Q172-V175 PolarHBondContact O-N 3.32Å; Q172-V175 VanDerWaalsContact O-N 3.1Å; Q172-E176 PolarHBondContact O-N 2.88Å
173A41.3Very low42.5Very low45 Ų45101.4 Ų101.437%0.37255%0.545SS..Hα-helixtrans-63-38.1178.200000112.8F169 V175 E176 Q177F169-A173 WeakPolarHBondContact O-CB 3.4Å; F169-A173 PolarHBondContact O-N 2.83Å; A173-V175 VanDerWaalsContact C-N 3.3Å; A173-V175 PolarHBondContact O-N 2.99Å; A173-E176 PolarHBondContact O-N 2.87Å; A173-Q177 WeakPolarHBondContact O-CB 3.37Å; A173-Q177 WeakPolarHBondContact O-CG 3.31Å; A173-Q177 PolarHBondContact O-N 3.22Å
174M38.8Very low41.6Very low132 Ų132101.9 Ų101.965%0.6556%0.556SS**Hα-helixtrans-60.6-38.5172.8-74.9-88.1-7500112T170 Q172 L178T170-M174 VanDerWaalsContact O-CB 3.27Å; T170-M174 WeakPolarHBondContact O-CB 3.19Å; T170-M174 WeakPolarHBondContact O-CG 3.2Å; T170-M174 PolarHBondContact O-N 3.27Å; Q172-M174 PolarHBondContact O-N 3.3Å; M174-L178 PolarHBondContact O-N 3.04Å
175V49Very low40.5Very low43 Ų43109.6 Ų109.626%0.26158%0.58SS.*Hα-helixtrans-73.4-36.3177.9172.30000111.7Q62 H171 Q172 A173 L178 A179Q62-V175 VanDerWaalsContact NE2-CG1 3.34Å; H171-V175 WeakPolarHBondContact O-CG2 3.18Å; H171-V175 PolarHBondContact O-N 2.73Å; Q172-V175 PolarHBondContact O-N 3.32Å; Q172-V175 VanDerWaalsContact O-N 3.1Å; A173-V175 VanDerWaalsContact C-N 3.3Å; A173-V175 PolarHBondContact O-N 2.99Å; V175-L178 PolarHBondContact O-N 2.88Å; V175-A179 PolarHBondContact O-N 2.87Å; V175-A179 VanDerWaalsContact O-N 3.1Å
176E43.2Very low40.1Very low114 Ų114112.7 Ų112.753%0.53359%0.594SS.*Hα-helixtrans-70.3-36.8175.2-71.3175.2149.900112.4Q172 A173 L178 A179 G180Q172-E176 PolarHBondContact O-N 2.88Å; A173-E176 PolarHBondContact O-N 2.87Å; E176-L178 VanDerWaalsContact C-N 3.32Å; E176-L178 PolarHBondContact O-N 3.17Å; E176-A179 PolarHBondContact O-N 3.32Å; E176-A179 VanDerWaalsContact O-N 3.17Å; E176-G180 PolarHBondContact O-N 2.74Å; E176-G180 VanDerWaalsContact O-N 3.12Å
177Q40.2Very low39.8Very low153 Ų153114.2 Ų114.272%0.71560%0.603SS**Hα-helixtrans-61.4-37.5171.9-77.1-69.1-73.100112.8A173A173-Q177 WeakPolarHBondContact O-CB 3.37Å; A173-Q177 WeakPolarHBondContact O-CG 3.31Å; A173-Q177 PolarHBondContact O-N 3.22Å
178L41.1Very low39.3Very low126 Ų126117 Ų11766%0.6663%0.625SS**Hα-helixtrans-73.4-25.8174.8-96.2146000113.3M174 V175 E176M174-L178 PolarHBondContact O-N 3.04Å; V175-L178 PolarHBondContact O-N 2.88Å; E176-L178 VanDerWaalsContact C-N 3.32Å; E176-L178 PolarHBondContact O-N 3.17Å
179A39.4Very low38.2Very low75 Ų75123.8 Ų123.862%0.6266%0.655SS**Hα-helixtrans-73.2-34.4173.600000112.6V175 E176 Q181V175-A179 PolarHBondContact O-N 2.87Å; V175-A179 VanDerWaalsContact O-N 3.1Å; E176-A179 PolarHBondContact O-N 3.32Å; E176-A179 VanDerWaalsContact O-N 3.17Å; A179-Q181 PolarHBondContact O-N 2.75Å
180G34.3Very low37.6Very low61 Ų61122.1 Ų122.163%0.62967%0.665SS**THydrogen-bonded Turntrans-70-7.5-178.300000116.1E176E176-G180 PolarHBondContact O-N 2.74Å; E176-G180 VanDerWaalsContact O-N 3.12Å
181Q34.8Very low37.5Very low164 Ų164125 Ų12577%0.76669%0.685SS**THydrogen-bonded Turntrans-105.12.5-173.2-72.8-77.816.200114.5A179A179-Q181 PolarHBondContact O-N 2.75Å
182Q34.7Very low36.9Very low166 Ų166123.3 Ų123.378%0.77670%0.697SS**  trans-119.466.2179.3-67.9-163.436.200113.3
183T26.1Very low36.4Very low123 Ų123125.5 Ų125.576%0.75571%0.712SS**  trans-103.8112.5159.8-54.80000108.4R185T183-R185 PolarHBondContact O-N 3.43Å
184P28.2Very low36.1Very low128 Ų128132.6 Ų132.683%0.83174%0.735SS**  trans-60118.9176.2-2434.7000111
185R26.8Very low35.8Very low235 Ų235136.2 Ų136.289%0.88775%0.747SS**  trans-99.596.9179.2-170.4179.4-174.2-178.72.1109.5T183 P187T183-R185 PolarHBondContact O-N 3.43Å; R185-P187 VanDerWaalsContact O-CD 3.24Å; R185-P187 WeakPolarHBondContact O-CD 3.39Å
186E34.6Very low34.8Very low188 Ų188137.3 Ų137.388%0.87977%0.767SS**  trans-79.7124.6172.9-176.1-174.8161.500111.1
187P33.2Very low34.2Very low102 Ų102138 Ų13866%0.66278%0.784SS**  trans-145.2177147.246.5-33.4000111.6R185R185-P187 VanDerWaalsContact O-CD 3.24Å; R185-P187 WeakPolarHBondContact O-CD 3.39Å
188P38.5Very low33.9Very low118 Ų118135.6 Ų135.677%0.76678%0.784SS**  -121.4161.3-86.728.7-8.9000112.9
189E32.1Very low33.5Very low207 Ų207135.3 Ų135.397%0.96779%0.793SS**  trans-72.8145.9176.8-67.5-150117.100113.8
190A34.9Very low33.1Very low93 Ų93136.1 Ų136.177%0.76979%0.794SS**  trans-144.3149.2168.500000109.8
191P45.1Very low33.1Very low138 Ų138139.9 Ų139.990%0.89680%0.798SS**  trans-92.7158.9-154.235.3-37.8000116
192G33.4Very low32.9Very low74 Ų74139.8 Ų139.876%0.76380%0.797SS**  trans-157.4132.8167.500000112.8
193D34.2Very low32.7Very low150 Ų150142.4 Ų142.480%0.80280%0.8SS**  trans-75.8146.8-168.3-50.8-104.8000115.8
194K36.1Very low33Very low195 Ų195144.6 Ų144.685%0.84881%0.806SS**  179.3127.4103-95.5148.7-165.9163.20117
195K31.5Very low32.9Very low208 Ų208141.6 Ų141.690%0.90480%0.799SS**  66.1111.6128.7-169.4-176.9-177-179.40120.4
196G28.2Very low33.2Very low65 Ų65136.8 Ų136.867%0.6780%0.801SS**  trans160.394.6141.800000119
197S32.1Very low32.9Very low130 Ų130132 Ų13291%0.90979%0.794SS**  trans64.1156.3157.1-67.20000119
198S33.4Very low33.7Very low101 Ų101132.6 Ų132.671%0.70680%0.798SS**  cis-167.1144.7-22.6-179.30000110.8
199S32.1Very low33.4Very low120 Ų120133.2 Ų133.284%0.83980%0.799SS**  trans62.4160.2179.378.70000115
200S30.9Very low34.7Very low93 Ų93128.5 Ų128.565%0.6579%0.787SS**  cis-149.1124.511169.90000108.3
201I33.6Very low34.3Very low139 Ų139129.4 Ų129.471%0.71379%0.786SS**  46.4115.6102.9-67.9173.7000112.7
202H31.2Very low33.6Very low162 Ų162130.8 Ų130.875%0.7578%0.78SS**  cis-129.6-147.32.1-72-71.7000110.5
203R30.3Very low33.5Very low221 Ų221135.5 Ų135.583%0.83479%0.787SS**  cis-160.3-174.62.6-142.8169.6-156.1-157.94.4112
204L32.3Very low33.3Very low169 Ų169131.6 Ų131.689%0.88578%0.782SS**  trans-62.5158.5171.1-76.360.8000111.9
205G26.8Very low34.1Very low66 Ų66128.2 Ų128.268%0.6878%0.78SS**  cis158.4179.1-2.600000112.8
206S32.3Very low34.1Very low134 Ų134123.6 Ų123.694%0.93777%0.773SS**  trans68.3142.6170.8-59.60000120.1
207A28.4Very low34.4Very low88 Ų88126.4 Ų126.473%0.72778%0.781SS**  trans-122.8-163159.700000106.9
208P50.1Low34.4Very low113 Ų113128.8 Ų128.873%0.73478%0.777SS**  cis-137.7-160.7-10.426.9-0.2000113.7
209V32.5Very low34.2Very low131 Ų131132.7 Ų132.779%0.79479%0.789SS**  trans73.1169.5158.1-106.30000119
210P58.5Low34Very low109 Ų109130.6 Ų130.671%0.70879%0.787SS**  -137.9-140.7-124.147.8-25.4000114.9
211C27.6Very low33.9Very low111 Ų111131.7 Ų131.775%0.7580%0.795SS**  trans115.5129.8169.5-67.50000112.5
212Q31.3Very low33.6Very low167 Ų167131.7 Ų131.778%0.7880%0.8SS**  cis98.1139.531.6-75.2-80.341.100114
213L30.7Very low33.5Very low174 Ų174132.8 Ų132.891%0.91181%0.806SS**  trans66.6150.9-174.7-55.2106.8000115.1
214G29.8Very low33.4Very low68 Ų68125.5 Ų125.570%0.70180%0.799SS**  cis-158.3-178.52.500000113.4
215P53.3Low33.2Very low124 Ų124126.8 Ų126.881%0.80580%0.801SS**  trans-129.3-162.7-147.942.5-27.4000117.3
216C31.1Very low33.6Very low110 Ų110131 Ų13174%0.74381%0.807SS**  trans88.6148.4173.2-56.70000115.8
217C34.5Very low34Very low125 Ų125130.7 Ų130.785%0.84580%0.802SS**  cis-130.5174.719.8-64.40000115.2
218H31.5Very low34Very low180 Ų180129.9 Ų129.983%0.83380%0.802SS**  trans-88.9162.9-178.1-54.9-104.4000114.5
219L29.9Very low33.3Very low182 Ų182131.8 Ų131.895%0.95381%0.811SS**  -173.2147.8104-163.764.6000112.5
220G28.2Very low33.2Very low76 Ų76129.5 Ų129.578%0.78481%0.806SS**  trans112.6108.3163.900000115.1
221S27.7Very low32.3Very low117 Ų117129.9 Ų129.982%0.81881%0.811SS**  trans-139.9137.8178177.70000111.4
222V28.1Very low32.6Very low138 Ų138134.1 Ų134.184%0.83682%0.817SS**  trans-13999161.3-177.50000108.7
223Q29.3Very low33.2Very low186 Ų186133.2 Ų133.287%0.86982%0.816SS**  trans30.9124.8131.3-148.6165.843.500118.6
224G27.8Very low33.9Very low67 Ų67130.2 Ų130.269%0.69181%0.807SS**  cis173-176.1-100000113.4
225E28.3Very low34.4Very low196 Ų196133 Ų13392%0.91681%0.813SS**  trans61.8103.8168.8-64.3-101.477.600119.1
226L34.6Very low34.2Very low156 Ų156134.9 Ų134.982%0.81782%0.815SS**  trans-83.8155.8144.8-84.9169.1000107.6
227P40.1Very low35.4Very low126 Ų126134.4 Ų134.482%0.81881%0.811SS**  -156.4-177.358.642.9-22.3000117.6
228G29.3Very low36.4Very low71 Ų71134 Ų13473%0.73281%0.806SS**  trans117.5116.9141.700000117.5
229V35.8Very low36.9Very low154 Ų154131.5 Ų131.593%0.93381%0.806SS**  trans-48.7132.7163.2-85.30000114.5
230A30.6Very low37.7Very low83 Ų83130.1 Ų130.169%0.68680%0.799SS**  trans-162.2153.4145.500000112.5
231S38.4Very low38.1Very low116 Ų116132 Ų13281%0.81180%0.798SS**  trans-67.3139173.1-48.30000112.2
232F35.2Very low39Very low200 Ų200131.8 Ų131.888%0.87780%0.796SS**  trans-106.1111.7167.4-81.3-80.4000111.9
233I43.9Very low39.4Very low149 Ų149131.9 Ų131.976%0.76479%0.792SS**PPolyproline II helixtrans-77.8136.7167.9-62.1168.8000107.5
234P44.8Very low40Very low111 Ų111135 Ų13572%0.72180%0.796SS**PPolyproline II helixtrans-64.9144.117627.4-34.6000111.3
235P40.8Very low40.3Very low125 Ų125138 Ų13881%0.81280%0.801SS**PPolyproline II helixtrans-69143.8-170.427.2-35.1000113.3
236L49.3Very low40.4Very low164 Ų164134.2 Ų134.286%0.85980%0.795SS**PPolyproline II helixtrans-72139.3174.9-158.275.3000110.5
237P55.8Low40.2Very low101 Ų101134.7 Ų134.766%0.65680%0.797SS**PPolyproline II helixtrans-67154.1171.928.2-35.4000112.1
238P54.8Low39.9Very low115 Ų115134.8 Ų134.875%0.74780%0.801SS**PPolyproline II helixtrans-68.7154.6178.629.6-35.7000112.5
239P41.6Very low40.2Very low128 Ų128134.6 Ų134.683%0.83180%0.799SS**PPolyproline II helixtrans-70.8147.2-177.229.4-35.4000113.1
240L47.3Very low40.9Very low154 Ų154133.1 Ų133.181%0.80679%0.793SS**PPolyproline II helixtrans-72.7157.2169.6-119.272.2000111.4
241P37.1Very low40.9Very low116 Ų116138.7 Ų138.775%0.75380%0.802SS**PPolyproline II helixtrans-62135.3171.7-22.334.8000113D243P241-D243 PolarHBondContact O-N 3.19Å
242S46.6Very low41.1Very low112 Ų112141.3 Ų141.378%0.78381%0.806SS**  trans-91.291.1-174.8-57.90000112.7
243D37.3Very low41.4Very low140 Ų140137.1 Ų137.175%0.74980%0.798SS**  trans-1338.8174.4-89.2-50.8000114.7P241P241-D243 PolarHBondContact O-N 3.19Å
244W40.4Very low41.3Very low251 Ų251135.3 Ų135.395%0.95180%0.796SS**  trans-131.473.3178.3-68.986.8000112.2
245T34.4Very low41.2Very low129 Ų129137.4 Ų137.479%0.79180%0.801SS**  trans-125.4145.9168.247.30000110.7
246C31.6Very low41Very low118 Ų118136.9 Ų136.980%0.79780%0.797SS**  trans65.9135-158.5-80.20000113.5
247L28.7Very low40.1Very low165 Ų165134.3 Ų134.386%0.86479%0.793SS**  cis-119.4137.510.7-69.3164.9000112.5
248S34.9Very low39.2Very low129 Ų129138.1 Ų138.190%0.90280%0.802SS**  trans-105125.8159.9-69.90000108.9
249G34.8Very low38.1Very low66 Ų66140.4 Ų140.468%0.6880%0.803SS**  trans174.1127.6178.200000111.9
250P51.3Low37.6Very low124 Ų124142 Ų14281%0.80580%0.8SS**  trans-92.6132.1-17134.1-33.1000113.2
251F29.9Very low37Very low200 Ų200141.3 Ų141.388%0.87780%0.801SS**  trans-142.1114.2164.9-88-81.4000111.9
252L43.8Very low37.1Very low170 Ų170141.7 Ų141.789%0.8980%0.804SS**  trans-82.3134.2151.6-70168.2000107.2
253P39.7Very low36.3Very low112 Ų112139.2 Ų139.273%0.72780%0.795SS**  -152.4-171.6109.738.8-21.2000112.8
254P41.8Very low36.1Very low111 Ų111137.4 Ų137.472%0.72180%0.8SS**  -124171.3-50.835.5-22.4000112
255L43.8Very low35.5Very low155 Ų155135.3 Ų135.381%0.81280%0.798SS**PPolyproline II helixtrans-74.4130.7164.3-178.174.4000110.4
256P36.1Very low35.7Very low114 Ų114138.6 Ų138.674%0.7480%0.802SS**PPolyproline II helixtrans-81.6129163.4-8.226.4000110.5
257S30.8Very low36.7Very low111 Ų111137.9 Ų137.978%0.77680%0.795SS**PPolyproline II helixtrans-76.7153.7178.5-610000113.7
258E36.8Very low36.7Very low180 Ų180137.6 Ų137.684%0.84180%0.795SS**  trans-31.5138.1155.9-178-163.5136.100114.8
259Q32.3Very low36.8Very low164 Ų164138 Ų13877%0.76679%0.786SS**  trans-159.2126.2145-113.4170.964.100114.8
260Q29.8Very low36.7Very low162 Ų162142.9 Ų142.976%0.75780%0.795SS**  trans69.7110.5149.3-66.7175.757.800121.6
261V36.1Very low36.2Very low139 Ų139144 Ų14484%0.84279%0.794SS**  trans-89.1132.5154164.90000108.3
262P39Very low36.8Very low124 Ų124140.8 Ų140.881%0.80579%0.792SS**  -142.6162.7105.436.6-21.5000113.5
263G28.6Very low36.2Very low59 Ų59135.9 Ų135.961%0.60878%0.783SS**  cis-170.5169.7-0.300000111
264A33.2Very low36.9Very low103 Ų103136.6 Ų136.685%0.85179%0.788SS**  trans-80.2145.7-174.900000113.2
265F28.6Very low36.3Very low207 Ų207142.7 Ų142.791%0.90880%0.796SS**  trans-119.6136.1158.9-85-86.8000110.2
266K37.6Very low35.8Very low198 Ų198140.4 Ų140.486%0.86179%0.793SS**  trans-121.8172170.6-119.9-154.4167.6-179.10108.5
267P52.8Low35.8Very low103 Ų103142.8 Ų142.867%0.66980%0.799SS**  trans-84.5175.2-150.538.3-40.2000112.5
268D29.9Very low36.3Very low159 Ų159143 Ų14385%0.8580%0.798SS**  trans-141.1168.3135.6-131-39.3000113.2
269I35.4Very low36Very low138 Ų138138.4 Ų138.471%0.70880%0.799SS**  trans-104.2147.4-164.7-70.9161.4000111.1
270L34.1Very low36Very low167 Ų167134.7 Ų134.787%0.87480%0.796SS**  trans-169136.3135-103.5161.4000112.6
271L40.8Very low36.6Very low149 Ų149139.2 Ų139.278%0.7881%0.806SS**  trans-103.1155.8167.1-70.4171.5000108.7
272P42.8Very low36.3Very low131 Ų131140.6 Ų140.685%0.85180%0.803SS**  -138.4160.688.828.3-9.9000114.5
273G30.6Very low36.1Very low67 Ų67143.7 Ų143.769%0.69180%0.804SS**  trans-111.6-148.6163.600000110.7
274P54.9Low37.1Very low128 Ų128147 Ų14783%0.83182%0.815SS**  cis-133.9153.8-26.438-23.9000113
275R29.2Very low36.9Very low239 Ų239145 Ų14590%0.90280%0.804SS**  trans-160.2132.2164.1-124.7174.5-171.4178.12.3116.9
276S32.5Very low37.4Very low106 Ų106142.5 Ų142.574%0.74180%0.8SS**  trans50.8121.2146.750.20000122.6
277L35.3Very low38Very low164 Ų164139 Ų13986%0.85980%0.797SS**  trans-69.9176.6149.1-69.3123.5000111.6
278P41.8Very low37.2Very low117 Ų117140.9 Ų140.976%0.7680%0.801SS**  cis-126155.2-39.934.1-19.6000112.2A280P278-A280 PolarHBondContact O-N 3.41Å
279G30.1Very low37.5Very low83 Ų83141.4 Ų141.486%0.85680%0.802SS**  trans-84.1109.2179.400000114.4
280A33Very low37.6Very low85 Ų85139.1 Ų139.170%0.70281%0.805SS**PPolyproline II helixtrans-101142.3161.200000110P278P278-A280 PolarHBondContact O-N 3.41Å
281W42.6Very low37.5Very low258 Ų258135 Ų13598%0.97780%0.802SS**PPolyproline II helixtrans-87.3154.3179.8-75.686.7000112.4
282H29.6Very low37.4Very low167 Ų167136.9 Ų136.977%0.77381%0.812SS**PPolyproline II helixtrans-92.1156-162.1-79.6-115000116.1
283F35.8Very low36.8Very low190 Ų190134.2 Ų134.283%0.83381%0.809SS**  trans-41.3175.9159.3-58.6-83.3000116.1
284P49.3Very low37.2Very low129 Ų129140.8 Ų140.884%0.83882%0.821SS**  cis-135.4179.712.638.9-19.1000116.3
285G29.1Very low36.1Very low61 Ų61138.2 Ų138.263%0.62982%0.818SS**  cis154166.2-12.500000115
286L39.2Very low36.2Very low154 Ų154132 Ų13281%0.80682%0.818SS**  trans70.3159.1160.8-67.3179.2000118.9L288L286-L288 HydrophobicContact CD2-CD1 4.19Å
287P48.7Very low36.1Very low125 Ų125130.6 Ų130.681%0.81282%0.82SS**  cis-115172.310.941.6-31.2000118
288L36.7Very low36.2Very low141 Ų141129.1 Ų129.174%0.73881%0.813SS**  trans-70.9151.5176-113.575.8000113.6L286L286-L288 HydrophobicContact CD2-CD1 4.19Å
289L36.1Very low35.9Very low170 Ų170133.1 Ų133.189%0.8981%0.813SS**  -161.7149.4106.4-118.9163.8000111.3
290A36.7Very low36.1Very low91 Ų91135.2 Ų135.275%0.75280%0.804SS**  trans-114.9149.617600000110.2
291G31.9Very low36.2Very low80 Ų80141.6 Ų141.683%0.82581%0.81SS**  trans-154.4107.2177.900000111.5
292L38.8Very low35.6Very low188 Ų188136.4 Ų136.498%0.98480%0.801SS**  trans-88.5127.2170.4-167.878.6000108.2
293G31.2Very low35.7Very low76 Ų76135.6 Ų135.678%0.78480%0.801SS**  trans-149.5142.5-17600000112.8
294Q38.6Very low35.4Very low204 Ų204132 Ų13295%0.95380%0.8SS**  trans-102.8154.3-178.9-67.3168.6-30.500111.5
295G31.8Very low34.5Very low74 Ų74134 Ų13476%0.76380%0.803SS**  trans112.9123.2130.900000119.2
296A32.6Very low34.9Very low109 Ų109139.5 Ų139.590%0.90180%0.804SS**  trans56.3116.8137.400000121.8
297G30.2Very low35Very low77 Ų77137.8 Ų137.879%0.79480%0.802SS**  trans80.4167.1149.500000116.9
298D37.1Very low34.3Very low132 Ų132138.6 Ų138.671%0.70680%0.795SS**  cis-162.1150.7-20.7-171.224.3000108.3
299R35.1Very low34.1Very low201 Ų201135.1 Ų135.176%0.75879%0.793SS**  trans60.8154.7162.1-76.5170.2178-122.9-8.7117.9
300L33.4Very low33.8Very low128 Ų128134.8 Ų134.867%0.6779%0.792SS**  cis-152.3156.7-4.2-100.2150.9000108.9
301R35.1Very low33.6Very low218 Ų218138.8 Ų138.882%0.82380%0.795SS**  trans21.3136.5146.7-52176.694172.87.4118.9
302L30.9Very low33.5Very low149 Ų149141.8 Ų141.878%0.7880%0.797SS**  -157.7148.976.6-130.191.1000115.6
303L31.4Very low33.5Very low151 Ų151142.1 Ų142.179%0.79179%0.791SS**  trans35.9113.3159.1-61.9-179.5000121.4
304S29.1Very low34.2Very low114 Ų114143.6 Ų143.680%0.79779%0.786SS**  trans-75.3155142.2-43.80000110.8
305L31.7Very low34.4Very low172 Ų172138.5 Ų138.590%0.90178%0.779SS**  trans-131.4134.5147.9-91175000109.9
306R36.9Very low35.4Very low176 Ų176140.3 Ų140.366%0.66478%0.777SS**  trans-101.2-178.7169.2-152.8-164.1-177.4-175.43.4108.3E308R306-E308 WeakPolarHBondContact CD-OE2 3.32Å; R306-E308 IonicContact CZ-OE1 3.96Å; R306-E308 IonicContact CZ-OE2 3.82Å; R306-E308 IonicContact NE-OE2 2.77Å; R306-E308 IonicContact NH1-OE1 2.76Å; R306-E308 PolarHBondContact NH1-OE1 2.85Å; R306-E308 IonicContact NH1-OE2 3.82Å; R306-E308 PolarHBondContact NH1-OE2 3.26Å
307P42.1Very low35.5Very low118 Ų118143.3 Ų143.377%0.76678%0.775SS**  -140.2158.5106.926.8-8.4000115.3
308E32.3Very low35.9Very low141 Ų141148.4 Ų148.466%0.65978%0.78SS**  trans-54.7161.6153-91.777.9170.500111.4R306R306-E308 WeakPolarHBondContact CD-OE2 3.32Å; R306-E308 IonicContact CZ-OE1 3.96Å; R306-E308 IonicContact CZ-OE2 3.82Å; R306-E308 IonicContact NE-OE2 2.77Å; R306-E308 IonicContact NH1-OE1 2.76Å; R306-E308 PolarHBondContact NH1-OE1 2.85Å; R306-E308 IonicContact NH1-OE2 3.82Å; R306-E308 PolarHBondContact NH1-OE2 3.26Å
309G32.2Very low35.7Very low68 Ų68152.9 Ų152.970%0.70179%0.787SS**  cis140126.2-0.100000111.9
310L31.4Very low35.9Very low164 Ų164148.1 Ų148.186%0.85979%0.791SS**  trans-153.191.1169.9-154.871.7000106.6
311E31.9Very low36.3Very low174 Ų174151 Ų15181%0.81380%0.798SS**  75.6112.496.8-158.4-160.4151.200113.9
312V30.4Very low36.1Very low143 Ų143144.2 Ų144.287%0.86780%0.795SS**  trans-179.3129.3142.11440000108.7
313K38.6Very low36.3Very low196 Ų196143 Ų14385%0.85280%0.798SS**  trans-170160.2172.5-141.6-149.3174.9-178.40108.1
314P46.5Very low36.6Very low107 Ų107144 Ų14470%0.69580%0.803SS**  cis-118.4176.5-17.825.6-4.4000113.3
315A41.5Very low37.1Very low97 Ų97145 Ų14580%0.80280%0.799SS**  trans-100.8151.6159.200000110.8
316P53.3Low37.8Very low111 Ų111142.3 Ų142.372%0.72179%0.792SS**  trans-135.7136.3158.235.2-19.7000116.1
317M34.4Very low37.8Very low172 Ų172142.8 Ų142.885%0.84779%0.794SS**  trans59.4112.5139.6-61.3-177.568.100122.1
318M37.8Very low37.3Very low184 Ų184144.4 Ų144.491%0.90679%0.791SS**  14.3125.7116.4-78.9-73.6-168.600118
319R33.2Very low37.3Very low226 Ų226140.6 Ų140.685%0.85379%0.79SS**  trans-123.5106.6161.7-171.3-178.9-132.2-168.67.1111.1
320A40.6Very low37.2Very low101 Ų101147.3 Ų147.384%0.83580%0.801SS**  trans-88.5119.617000000111
321K41.4Very low37.6Very low190 Ų190145.1 Ų145.183%0.82680%0.798SS**  trans-158135.8162.6-85.2-165.2172.8-1680106.4
322G31.5Very low38.3Very low74 Ų74142.4 Ų142.476%0.76380%0.795SS**  cis-171.1148.1-9.900000108L324G322-L324 PolarHBondContact O-N 2.76Å
323C35.1Very low38.6Very low125 Ų125144 Ų14485%0.84579%0.794SS**  trans-81.3117.5-177.5-176.90000111
324L37.5Very low38.4Very low171 Ų171141.5 Ų141.590%0.89580%0.795SS**  trans-147.2111.3151.9-78.3-175000108.4G322G322-L324 PolarHBondContact O-N 2.76Å
325D39.7Very low37.8Very low134 Ų134142.5 Ų142.572%0.71780%0.803SS**  trans-91.1143.3161.4-151.7-71.3000107R327D325-R327 PolarHBondContact OD1-N 3.43Å
326P46.6Very low37.3Very low116 Ų116149.8 Ų149.875%0.75381%0.81SS**  -144.4116.3113.933.9-17.8000114.4
327R35.2Very low36.4Very low186 Ų186152.5 Ų152.570%0.70282%0.817SS**  28.7128.1114.6-154.5-175.8-168.9-99.8-8.3117.8D325D325-R327 PolarHBondContact OD1-N 3.43Å
328E32.7Very low36.5Very low152 Ų152154.1 Ų154.171%0.7182%0.819SS**  trans68.1131.1170.1-70.1145.6145.900116.1
329G32.1Very low36.3Very low62 Ų62151.7 Ų151.764%0.63982%0.815SS**  cis-177.2-156-0.400000112.2
330F30.3Very low36.1Very low208 Ų208144.7 Ų144.791%0.91281%0.813SS**  trans66.6105.5173.4-62-82.9000118.7
331C39.3Very low36.1Very low119 Ų119147.9 Ų147.980%0.80481%0.811SS**  -70.9157.9129.2-59.40000108.4
332P47.5Very low35.7Very low117 Ų117148.2 Ų148.276%0.7682%0.815SS**  -137.8178.793.339.6-28.4000115.1
333E36.2Very low35.8Very low177 Ų177155.2 Ų155.283%0.82782%0.819SS**  trans-47.1154.6-177-55160.496.100117
334T33.5Very low35.6Very low143 Ų143156.9 Ų156.988%0.87782%0.819SS**  -163.1133.8110.311.20000112
335C33.8Very low35.2Very low128 Ų128154.6 Ų154.687%0.86581%0.812SS**  trans-78.3140.3166.4-67.80000110.9
336R30.7Very low35.3Very low250 Ų250153.5 Ų153.594%0.94382%0.815SS**  trans-147101.7152.8-120.4179-169.3-175.15.2112.6
337L36.2Very low35.1Very low167 Ų167154.1 Ų154.187%0.87482%0.819SS**  trans-61.8142.3153.5-83.1154.7000109.2
338K35.9Very low35Very low207 Ų207152 Ų15290%0.982%0.821SS**  trans-154.4128.8139.2-118.3-177.2-178.4-1680112.1
339T32.3Very low35.1Very low132 Ų132152.3 Ų152.381%0.8183%0.827SS**  trans-65.1146172.1-47.40000110.9
340G30.1Very low35.6Very low80 Ų80156.8 Ų156.883%0.82583%0.831SS**  trans-149.2112.5164.800000108.4
341E39.9Very low35.8Very low168 Ų168153.9 Ų153.979%0.78583%0.825SS**  trans-121.7127.4-177.6177.6-173154.300108.3
342E32.9Very low35.8Very low196 Ų196156.6 Ų156.692%0.91683%0.831SS**  trans-153.8152.1157.6-124.5177.5146.400111.9
343R34.8Very low35.3Very low222 Ų222159.9 Ų159.984%0.83883%0.833SS**  trans-101.9155.1179-76169.7155.8-180-6110.4
344L29.8Very low35.3Very low160 Ų160155.6 Ų155.684%0.83883%0.828SS**  trans-173.4107.3136.5-92.4145.1000106.2
345T30.3Very low35.3Very low123 Ų123156.8 Ų156.876%0.75583%0.828SS**  87117.994.3-660000113.4
346S41.7Very low35.7Very low111 Ų111162.3 Ų162.378%0.77683%0.831SS**  trans-76.1159.4178.6-38.60000112.9
347P41.5Very low36.8Very low129 Ų129155.9 Ų155.984%0.83882%0.821SS**  trans-112.6143.814134.7-28.3000111.3
348N34.3Very low37.5Very low141 Ų141155.6 Ų155.675%0.75482%0.82SS**  trans-114.4122.4162174.13.6000106.7
349L33.7Very low37.6Very low158 Ų158153.1 Ų153.183%0.82782%0.816SS**  trans-145.5110.2156.2-164.762000111.2
350E43.4Very low39.2Very low157 Ų157152.3 Ų152.373%0.73481%0.813SS**  trans-15.1159.6151.4-49.9-178.1140.900119
351N34.3Very low40.7Very low146 Ų146158.7 Ų158.778%0.78184%0.837SS**  trans77.995.6161.3-1659.8000118.5
352L38.4Very low40.8Very low176 Ų176158.2 Ų158.292%0.92184%0.839SS**  trans-143.9118.7140.6-116.2172.7000110.4
353K37.1Very low41.2Very low187 Ų187156.2 Ų156.281%0.81384%0.835SS**  trans-118.4105.1-170174.6-172.2172.7-176.30111.1
354A36.9Very low41.5Very low87 Ų87152.6 Ų152.672%0.71984%0.835SS**  trans-147.2107.6167.300000108.4
355L34.3Very low42.2Very low168 Ų168152.1 Ų152.188%0.8884%0.835SS**  76.3106.381.8-73.9168.9000112.8
356W42.2Very low43Very low244 Ų244153.9 Ų153.992%0.92484%0.84SS**  trans-124.7127.4168.5-166.1-81.4000108.2
357P53.2Low43.1Very low114 Ų114156.8 Ų156.874%0.7484%0.844SS**PPolyproline II helixtrans-71.1163.6-178.4-21.334.7000114.8
358L49.8Very low43.2Very low162 Ų162158.8 Ų158.885%0.84885%0.845SS**PPolyproline II helixtrans-92.6166.7-177.3-69165.5000113.3
359D38.4Very low43.9Very low154 Ų154160.2 Ų160.282%0.82485%0.852SS**PPolyproline II helixtrans-67.7157.2174.4-49.2-85.4000113.8
360P65.8Low44.7Very low115 Ų115160.3 Ų160.375%0.74785%0.854SS**PPolyproline II helixtrans-99125.1161.734.7-26.8000112.6
361T62.9Low44.9Very low214 Ų214160.6 Ų160.6100%1.31387%0.865SS**  trans19.80150.359.60000119.4

Retrieved 361 of 361 residues in 135.1 ms (Link to these results)