A0A093JYT7_STRCA Loading...

Carboxypeptidase A2

AlphaFold DB , UniProt , Accession A0A093JYT7, Species STRCA (Struthio camelus australis), Gene n/a, Length 419 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
1M36.4Very low37.1Very low231 Ų231157.2 Ų157.2100%1.13882%0.816SS**  0113.80-84.4157.458.700108.4
2K33.3Very low37.1Very low205 Ų205149.3 Ų149.389%0.89180%0.801SS**  trans-84.1114.4176.8-74.2177.5174.3179.30108.1
3L33.6Very low37Very low156 Ų156144.4 Ų144.482%0.81779%0.794SS**  trans-91.5110.3166-118.786.8000107.7
4I38Very low37.2Very low144 Ų144140.9 Ų140.974%0.73879%0.785SS**  trans-84.7109.2169.6-65.7172.9000106.2V6I4-V6 HydrophobicContact CG2-CG2 4.03Å; I4-V6 PolarHBondContact O-N 3.33Å
5L35.9Very low37.9Very low147 Ų147140.3 Ų140.377%0.7778%0.778SS**  trans-77.2102.6167.2-94.4151000107.9F7L5-F7 PolarHBondContact O-N 3.38Å
6V37.2Very low39.5Very low116 Ų116137.3 Ų137.370%0.70377%0.769SS**  trans-79.6106.7168.1178.20000107.3I4 S8I4-V6 HydrophobicContact CG2-CG2 4.03Å; I4-V6 PolarHBondContact O-N 3.33Å; V6-S8 PolarHBondContact O-N 3.22Å
7F36.8Very low42.1Very low187 Ų187133.4 Ų133.482%0.8275%0.746SS**  trans-73.399.8164.3-99.1-91.7000108.3L5 A9L5-F7 PolarHBondContact O-N 3.38Å; F7-A9 PolarHBondContact O-N 3.27Å
8S40.6Very low44.7Very low98 Ų98132.1 Ų132.169%0.68573%0.733SS**  trans-75.7100.616319.90000108.5V6 L10V6-S8 PolarHBondContact O-N 3.22Å; S8-L10 PolarHBondContact O-N 3.08Å; S8-L10 VanDerWaalsContact O-N 3.08Å
9A39.8Very low47.4Very low81 Ų81129.7 Ų129.767%0.66972%0.722SS**  trans-68.1101165.900000108.6F7 F11F7-A9 PolarHBondContact O-N 3.27Å; A9-F11 VanDerWaalsContact C-N 3.3Å; A9-F11 HydrophobicContact CB-CD2 4.42Å; A9-F11 PolarHBondContact O-N 3.46Å
10L38.2Very low49.9Very low169 Ų169123.6 Ų123.689%0.88569%0.688SS**  trans-66.492.6162.4-98.2126000107.9S8 G12S8-L10 PolarHBondContact O-N 3.08Å; S8-L10 VanDerWaalsContact O-N 3.08Å; L10-G12 PolarHBondContact O-N 2.98Å
11F38.4Very low52.2Low195 Ų195122 Ų12286%0.85568%0.681SS**  trans-7089.4157.8-91.3-88000107.4A9 A13A9-F11 VanDerWaalsContact C-N 3.3Å; A9-F11 HydrophobicContact CB-CD2 4.42Å; A9-F11 PolarHBondContact O-N 3.46Å; F11-A13 PolarHBondContact O-N 2.99Å; F11-A13 VanDerWaalsContact O-N 3.12Å
12G36.5Very low55.1Low62 Ų62111.8 Ų111.864%0.63964%0.635SS**  trans-62.9108.3158.600000107L10 S14L10-G12 PolarHBondContact O-N 2.98Å; G12-S14 PolarHBondContact O-N 3.38Å
13A36.5Very low58.2Low86 Ų86103.3 Ų103.371%0.71160%0.599SS**  trans-61.298.2162.200000106F11 L15F11-A13 PolarHBondContact O-N 2.99Å; F11-A13 VanDerWaalsContact O-N 3.12Å; A13-L15 VanDerWaalsContact C-N 3.27Å; A13-L15 PolarHBondContact O-N 3.48Å
14S38.9Very low61.3Low95 Ų9596.6 Ų96.666%0.66456%0.563SS**  trans-60.3101.316657.50000105.5G12 C16G12-S14 PolarHBondContact O-N 3.38Å; S14-C16 PolarHBondContact O-N 3.41Å
15L48.1Very low64.2Low132 Ų13289.7 Ų89.769%0.69153%0.528SS*.  trans-69.967170.8-78.7157.3000107.4A13 L17 K232A13-L15 VanDerWaalsContact C-N 3.27Å; A13-L15 PolarHBondContact O-N 3.48Å; L15-L17 PolarHBondContact O-N 3.22Å; L15-K232 HydrophobicContact CD2-CD 4.48Å
16C62.9Low67.1Low93 Ų9382.7 Ų82.763%0.62849%0.491SS*.PPolyproline II helixtrans-59.8125.7-179.6-72.80000108.4S14S14-C16 PolarHBondContact O-N 3.41Å
17L84.1Confident70Confident71 Ų7179.2 Ų79.237%0.37247%0.465SS..PPolyproline II helixtrans-65.4136.4168.2-170.373.6000107.7L15 T19 T231 K232L15-L17 PolarHBondContact O-N 3.22Å; L17-T19 PolarHBondContact O-N 2.77Å; L17-T231 WeakPolarHBondContact CD1-O 3.17Å; L17-K232 WeakPolarHBondContact CD1-O 3.39Å
18E90.1Very high72.9Confident110 Ų11070.4 Ų70.451%0.51443%0.427SS..PPolyproline II helixtrans-61.4132.1172.7-68.4-67.4172.200109.5F20 K232 N233E18-F20 HydrophobicContact CB-CE2 4.35Å; E18-F20 HydrophobicContact CB-CZ 4.14Å; E18-K232 WeakPolarHBondContact CB-O 3.35Å; E18-K232 PolarHBondContact N-O 2.98Å; E18-N233 HydrophobicContact CB-CB 4.32Å; E18-N233 HydrophobicContact CG-CB 3.9Å
19T94.9Very high75.6Confident87 Ų8771.2 Ų71.253%0.53442%0.418SS..  trans-110.3147.6175.159.90000109.7L17L17-T19 PolarHBondContact O-N 2.77Å
20F97.2Very high78.3Confident6 Ų667.6 Ų67.63%0.02639%0.388CS..  trans-118.927.3-177.5-55.7-84.6000111.8E18 G22 H23 L93 L97 N233 R234 M235E18-F20 HydrophobicContact CB-CE2 4.35Å; E18-F20 HydrophobicContact CB-CZ 4.14Å; F20-G22 PolarHBondContact O-N 3.5Å; F20-H23 HydrophobicContact CB-CB 4.1Å; F20-H23 AromaticContact CD1-CE1 3.88Å; F20-H23 AromaticContact CD1-ND1 3.52Å; F20-H23 VanDerWaalsContact O-CB 3.25Å; F20-H23 WeakPolarHBondContact O-CB 3.25Å; F20-H23 PolarHBondContact O-N 3.02Å; F20-L93 HydrophobicContact CB-CB 4.01Å; F20-L93 HydrophobicContact CB-CD2 3.95Å; F20-L93 HydrophobicContact CB-CG 4.23Å; F20-L93 HydrophobicContact CD1-CD2 3.98Å; F20-L93 HydrophobicContact CG-CD2 3.95Å; F20-L97 HydrophobicContact CD2-CD2 3.73Å; F20-L97 HydrophobicContact CE2-CD2 4.03Å; F20-N233 WeakPolarHBondContact CZ-OD1 3.31Å; F20-R234 HydrophobicContact CE2-CB 4.25Å; F20-M235 HydrophobicContact CD1-CG 4.33Å; F20-M235 HydrophobicContact CE1-CB 4.22Å; F20-M235 HydrophobicContact CE1-CG 3.6Å; F20-M235 HydrophobicContact CE2-CG 4.33Å; F20-M235 HydrophobicContact CZ-CB 4.13Å; F20-M235 HydrophobicContact CZ-CG 3.61Å
21V98Very high81Confident90 Ų9063.7 Ų63.755%0.54538%0.375SS..THydrogen-bonded Turntrans-56.5121-177.8177.50000109.7H23 Q94V21-H23 PolarHBondContact O-N 3.5Å; V21-Q94 HydrophobicContact CG2-CB 4.13Å; V21-Q94 HydrophobicContact CG2-CG 3.79Å
22G97.4Very high83.7Confident17 Ų1757.6 Ų57.618%0.17535%0.351CS..THydrogen-bonded Turntrans70.29.4-179.800000114.5F20 D92F20-G22 PolarHBondContact O-N 3.5Å; G22-D92 PolarHBondContact N-OD1 3.05Å; G22-D92 PolarHBondContact N-OD2 2.92Å
23H98.6Very high86.5Confident28 Ų2859.5 Ų59.513%0.1334%0.343CS..  trans-70.9133.3168.7-71.3-149.2000108.5F20 V21 R66 I67 F69 L93F20-H23 HydrophobicContact CB-CB 4.1Å; F20-H23 AromaticContact CD1-CE1 3.88Å; F20-H23 AromaticContact CD1-ND1 3.52Å; F20-H23 VanDerWaalsContact O-CB 3.25Å; F20-H23 WeakPolarHBondContact O-CB 3.25Å; F20-H23 PolarHBondContact O-N 3.02Å; V21-H23 PolarHBondContact O-N 3.5Å; H23-R66 HydrophobicContact CB-CG 4.47Å; H23-R66 PolarHBondContact ND1-NH1 2.84Å; H23-R66 VanDerWaalsContact ND1-NH1 3.15Å; H23-I67 WeakPolarHBondContact CA-O 3.45Å; H23-F69 PolarHBondContact CD2-N 3.23Å; H23-L93 HydrophobicContact CB-CB 4.13Å; H23-L93 PolarHBondContact O-N 3.21Å
24Q98.6Very high89.4Confident14 Ų1461 Ų617%0.06534%0.336CS..EExtended strand (participates in β ladder)trans-107.4150.7175.4-53.2-151.2-50.800110.6L26 R66 I67 L72 V90 D91Q24-L26 HydrophobicContact CB-CD2 4.17Å; Q24-R66 CarbonylContact O-C 3.57Å; Q24-R66 WeakPolarHBondContact O-CA 3.46Å; Q24-I67 PolarHBondContact N-O 3.03Å; Q24-I67 PolarHBondContact O-N 3.39Å; Q24-L72 HydrophobicContact CB-CD1 3.83Å; Q24-L72 HydrophobicContact CG-CD1 3.79Å; Q24-L72 HydrophobicContact CG-CD2 3.65Å; Q24-L72 HydrophobicContact CG-CG 4.38Å; Q24-V90 VanDerWaalsContact CA-O 3.29Å; Q24-V90 WeakPolarHBondContact CA-O 3.39Å; Q24-D91 WeakPolarHBondContact CG-O 3.4Å; Q24-D91 PolarHBondContact NE2-O 2.92Å; Q24-D91 PolarHBondContact NE2-OD1 3.42Å
25V98.6Very high92.1Very high0 Ų057.2 Ų57.20%031%0.307CS..EExtended strand (participates in β ladder)trans-105.3118.5163.3-175.20000107.7W53 V65 R66 L89 V90 L93V25-W53 HydrophobicContact CG1-CD2 4.28Å; V25-W53 HydrophobicContact CG1-CE3 3.97Å; V25-W53 HydrophobicContact CG1-CZ3 4.21Å; V25-W53 HydrophobicContact CG2-CD2 4.48Å; V25-W53 HydrophobicContact CG2-CE3 4.35Å; V25-W53 HydrophobicContact CG2-CH2 3.72Å; V25-W53 HydrophobicContact CG2-CZ2 3.84Å; V25-W53 HydrophobicContact CG2-CZ3 3.98Å; V25-V65 WeakPolarHBondContact CA-O 3.21Å; V25-R66 HydrophobicContact CG2-CB 4.2Å; V25-R66 HydrophobicContact CG2-CG 4.48Å; V25-L89 HydrophobicContact CB-CB 4.46Å; V25-L89 HydrophobicContact CG1-CB 4.42Å; V25-L89 HydrophobicContact CG1-CD1 4.24Å; V25-L89 WeakPolarHBondContact O-CB 3.41Å; V25-L89 PolarHBondContact O-N 2.93Å; V25-V90 HydrophobicContact CB-CB 3.89Å; V25-V90 HydrophobicContact CB-CG2 4.08Å; V25-V90 HydrophobicContact CG2-CB 3.94Å; V25-V90 HydrophobicContact CG2-CG2 4.14Å; V25-V90 PolarHBondContact N-O 3.22Å; V25-V90 PolarHBondContact O-N 3.04Å; V25-L93 HydrophobicContact CG2-CD1 4.12Å
26L98.5Very high94.4Very high0 Ų051 Ų510%028%0.275CS..EExtended strand (participates in β ladder)trans-101138176.1-55.9-169.6000110Q24 I28 D64 V65 I67 K76 L79 Y86 S87 I88Q24-L26 HydrophobicContact CB-CD2 4.17Å; L26-I28 HydrophobicContact CB-CG1 4.38Å; L26-D64 WeakPolarHBondContact O-CA 3.44Å; L26-V65 HydrophobicContact CB-CG1 4.37Å; L26-V65 PolarHBondContact N-O 3.15Å; L26-V65 PolarHBondContact O-N 3.21Å; L26-I67 HydrophobicContact CB-CD1 4.33Å; L26-I67 HydrophobicContact CD1-CD1 3.35Å; L26-I67 HydrophobicContact CG-CD1 3.64Å; L26-K76 HydrophobicContact CD1-CG 4.26Å; L26-L79 HydrophobicContact CD1-CD1 4.18Å; L26-Y86 HydrophobicContact CD1-CD2 3.75Å; L26-Y86 HydrophobicContact CD1-CE2 4.09Å; L26-Y86 HydrophobicContact CD1-CG 4.26Å; L26-Y86 HydrophobicContact CD2-CD2 4.15Å; L26-Y86 HydrophobicContact CD2-CE2 4.46Å; L26-Y86 HydrophobicContact CG-CD2 4.4Å; L26-S87 WeakPolarHBondContact CA-O 3.45Å; L26-I88 HydrophobicContact CD2-CB 4.25Å; L26-I88 HydrophobicContact CD2-CG1 3.71Å
27R98.3Very high95.9Very high43 Ų4353.2 Ų53.216%0.16227%0.274CS..EExtended strand (participates in β ladder)trans-95114.9162174157.4-70.1170-0.9109.2P62 V63 D64 Y86 S87 L89 T384R27-P62 HydrophobicContact CG-CB 3.93Å; R27-V63 CarbonylContact C-O 3.57Å; R27-V63 WeakPolarHBondContact CA-O 3.34Å; R27-D64 IonicContact CZ-OD1 3.07Å; R27-D64 IonicContact CZ-OD2 3.98Å; R27-D64 IonicContact NE-OD1 2.73Å; R27-D64 PolarHBondContact NE-OD1 3Å; R27-D64 IonicContact NE-OD2 3.45Å; R27-D64 IonicContact NH2-OD1 3.57Å; R27-D64 PolarHBondContact NH2-OD1 3.21Å; R27-D64 IonicContact NH2-OD2 2.91Å; R27-D64 PolarHBondContact NH2-OD2 3.46Å; R27-Y86 CarbonylContact O-C 3.05Å; R27-Y86 WeakPolarHBondContact O-CA 3.47Å; R27-S87 PolarHBondContact N-O 3.28Å; R27-S87 PolarHBondContact O-N 3.15Å; R27-L89 HydrophobicContact CB-CD1 3.65Å; R27-L89 HydrophobicContact CB-CD2 3.92Å; R27-L89 HydrophobicContact CB-CG 3.6Å; R27-T384 PolarHBondContact NH1-O 3.23Å; R27-T384 VanDerWaalsContact NH1-O 3.08Å; R27-T384 PolarHBondContact NH2-O 2.95Å
28I97.8Very high96.5Very high1 Ų152.3 Ų52.31%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-101.9136.3-179.5-56.4168.8000108.4L26 I39 V63 V65 L79 I84 E85L26-I28 HydrophobicContact CB-CG1 4.38Å; I28-I39 HydrophobicContact CG2-CD1 3.61Å; I28-I39 HydrophobicContact CG2-CG1 4.29Å; I28-V63 HydrophobicContact CB-CB 4.2Å; I28-V63 PolarHBondContact N-O 3.34Å; I28-V63 PolarHBondContact O-N 2.97Å; I28-V65 HydrophobicContact CD1-CG1 3.54Å; I28-V65 HydrophobicContact CG1-CG1 4.34Å; I28-L79 HydrophobicContact CD1-CD1 3.95Å; I28-L79 HydrophobicContact CD1-CD2 3.98Å; I28-L79 HydrophobicContact CG1-CD1 4.06Å; I28-L79 HydrophobicContact CG1-CD2 4.42Å; I28-L79 HydrophobicContact CG2-CD2 4.11Å; I28-I84 HydrophobicContact CG2-CG2 3.32Å; I28-E85 WeakPolarHBondContact CA-O 3.49Å
29K96.4Very high96.8Very high116 Ų11647.1 Ų47.150%0.50424%0.242SC..EExtended strand (participates in β ladder)trans-116.5113.9175.6-66.2-178.7-176.6174.60109.3E85K29-E85 PolarHBondContact N-O 2.73Å
30A95.4Very high96.7Very high5 Ų546.4 Ų46.44%0.04123%0.233CC..  trans-89.1131.817300000109.9Q35 I36 I39 P59A30-Q35 HydrophobicContact CB-CB 3.93Å; A30-I36 HydrophobicContact CB-CD1 3.47Å; A30-I36 VanDerWaalsContact CB-CD1 3.47Å; A30-I36 HydrophobicContact CB-CG1 3.77Å; A30-I39 HydrophobicContact CB-CD1 4.02Å; A30-P59 CarbonylContact O-C 3.52Å; A30-P59 WeakPolarHBondContact O-CA 3.25Å; A30-P59 WeakPolarHBondContact O-CB 3.41Å
31S95.7Very high96.4Very high86 Ų8650.6 Ų50.660%0.60126%0.255SS*.SBendtrans-88.4-15.9178.8-610000113
32N95.7Very high96.2Very high67 Ų6746.5 Ų46.536%0.35823%0.231SC..SBendtrans-158.7170.8-17860.156.5000112.6E34 Q35 I36 P59N32-E34 VanDerWaalsContact C-N 3.27Å; N32-E34 PolarHBondContact O-N 2.92Å; N32-E34 WeakPolarHBondContact OD1-CB 3.34Å; N32-E34 PolarHBondContact OD1-N 3.32Å; N32-E34 VanDerWaalsContact OD1-N 3.08Å; N32-Q35 PolarHBondContact O-N 3.44Å; N32-Q35 PolarHBondContact OD1-N 3.02Å; N32-I36 PolarHBondContact O-N 3.26Å; N32-P59 VanDerWaalsContact C-CG 3.46Å
33E95.4Very high95.7Very high103 Ų10349.3 Ų49.348%0.48124%0.239SC..Hα-helixtrans-62.5-28.8-179-66-61.2155.900113.9I36 K37 P59E33-I36 PolarHBondContact O-N 3.17Å; E33-K37 WeakPolarHBondContact O-CG 3.42Å; E33-K37 PolarHBondContact O-N 3.3Å; E33-K37 VanDerWaalsContact O-N 3.08Å; E33-P59 HydrophobicContact CG-CG 4.46Å; E33-P59 WeakPolarHBondContact OE1-CD 3.47Å
34E96.1Very high95.2Very high118 Ų11852.5 Ų52.555%0.55126%0.261SS*.Hα-helixtrans-66.8-42.3176.6-168.2-164.9141.200110.7N32 K37 K38N32-E34 VanDerWaalsContact C-N 3.27Å; N32-E34 PolarHBondContact O-N 2.92Å; N32-E34 WeakPolarHBondContact OD1-CB 3.34Å; N32-E34 PolarHBondContact OD1-N 3.32Å; N32-E34 VanDerWaalsContact OD1-N 3.08Å; E34-K37 PolarHBondContact O-N 3.28Å; E34-K38 WeakPolarHBondContact O-CG 3.42Å; E34-K38 PolarHBondContact O-N 3.02Å; E34-K38 VanDerWaalsContact O-N 3.07Å; E34-K38 WeakPolarHBondContact OE1-CE 3.31Å; E34-K38 IonicContact OE1-NZ 3.42Å; E34-K38 PolarHBondContact OE1-NZ 3.42Å
35Q96.9Very high94.9Very high15 Ų1554.7 Ų54.77%0.0727%0.272CS..Hα-helixtrans-66.1-38.1175.8-69.9-174.6-20.600112A30 N32 K37 K38 I39 N82 N83 I84A30-Q35 HydrophobicContact CB-CB 3.93Å; N32-Q35 PolarHBondContact O-N 3.44Å; N32-Q35 PolarHBondContact OD1-N 3.02Å; Q35-K37 VanDerWaalsContact C-N 3.34Å; Q35-K37 PolarHBondContact O-N 3.19Å; Q35-K38 WeakPolarHBondContact O-CB 3.3Å; Q35-K38 PolarHBondContact O-N 2.94Å; Q35-I39 VanDerWaalsContact O-CG1 3.32Å; Q35-I39 WeakPolarHBondContact O-CG1 3.49Å; Q35-I39 PolarHBondContact O-N 3.47Å; Q35-N82 PolarHBondContact NE2-O 2.99Å; Q35-N83 PolarHBondContact NE2-O 3.13Å; Q35-I84 HydrophobicContact CB-CD1 4.29Å; Q35-I84 HydrophobicContact CB-CG1 4.13Å; Q35-I84 HydrophobicContact CG-CD1 4.35Å; Q35-I84 HydrophobicContact CG-CG1 3.83Å
36I95.6Very high94.4Very high2 Ų260.2 Ų60.21%0.0130%0.298CS..Hα-helixtrans-57.6-47.2172.5-69.2-66000110.9A30 N32 E33 K38 I39 Q40 P56 P59A30-I36 HydrophobicContact CB-CD1 3.47Å; A30-I36 VanDerWaalsContact CB-CD1 3.47Å; A30-I36 HydrophobicContact CB-CG1 3.77Å; N32-I36 PolarHBondContact O-N 3.26Å; E33-I36 PolarHBondContact O-N 3.17Å; I36-K38 VanDerWaalsContact C-N 3.29Å; I36-K38 PolarHBondContact O-N 2.79Å; I36-I39 PolarHBondContact O-N 3.06Å; I36-I39 VanDerWaalsContact O-N 3.15Å; I36-Q40 HydrophobicContact CG2-CG 4.39Å; I36-Q40 WeakPolarHBondContact O-CG 3.45Å; I36-Q40 PolarHBondContact O-N 2.99Å; I36-P56 HydrophobicContact CG2-CB 4.5Å; I36-P59 HydrophobicContact CG1-CG 4.19Å
37K95.2Very high94Very high139 Ų13966.9 Ų66.960%0.60433%0.329SS*.Hα-helixtrans-61.4-36177.3-70.9174.8-176.2178.50112.9E33 E34 Q35 Q40 L41E33-K37 WeakPolarHBondContact O-CG 3.42Å; E33-K37 PolarHBondContact O-N 3.3Å; E33-K37 VanDerWaalsContact O-N 3.08Å; E34-K37 PolarHBondContact O-N 3.28Å; Q35-K37 VanDerWaalsContact C-N 3.34Å; Q35-K37 PolarHBondContact O-N 3.19Å; K37-Q40 PolarHBondContact O-N 3.12Å; K37-L41 PolarHBondContact O-N 2.86Å
38K96.1Very high93.8Very high52 Ų5265.6 Ų65.623%0.22633%0.325CS..Hα-helixtrans-67.2-38.9175.2-72.5174179.1179.90112.2E34 Q35 I36 L41 L42 F78 N82 I84E34-K38 WeakPolarHBondContact O-CG 3.42Å; E34-K38 PolarHBondContact O-N 3.02Å; E34-K38 VanDerWaalsContact O-N 3.07Å; E34-K38 WeakPolarHBondContact OE1-CE 3.31Å; E34-K38 IonicContact OE1-NZ 3.42Å; E34-K38 PolarHBondContact OE1-NZ 3.42Å; Q35-K38 WeakPolarHBondContact O-CB 3.3Å; Q35-K38 PolarHBondContact O-N 2.94Å; I36-K38 VanDerWaalsContact C-N 3.29Å; I36-K38 PolarHBondContact O-N 2.79Å; K38-L41 WeakPolarHBondContact O-CB 3.47Å; K38-L41 PolarHBondContact O-N 2.86Å; K38-L42 PolarHBondContact O-N 2.76Å; K38-F78 HydrophobicContact CB-CE1 4.38Å; K38-F78 HydrophobicContact CB-CZ 4.02Å; K38-N82 HydrophobicContact CD-CB 4.14Å; K38-N82 VanDerWaalsContact CD-OD1 3.28Å; K38-N82 WeakPolarHBondContact CD-OD1 3.43Å; K38-N82 VanDerWaalsContact CE-OD1 3.3Å; K38-N82 WeakPolarHBondContact CE-OD1 3.46Å; K38-N82 PolarHBondContact NZ-OD1 3.09Å; K38-I84 HydrophobicContact CB-CD1 4.27Å
39I95.7Very high93.7Very high0 Ų071.8 Ų71.80%035%0.354CS..Hα-helixtrans-69.2-41.5175.3-61.6160.8000110.3I28 A30 Q35 I36 L41 L42 E43 F52 P56 V63 I84I28-I39 HydrophobicContact CG2-CD1 3.61Å; I28-I39 HydrophobicContact CG2-CG1 4.29Å; A30-I39 HydrophobicContact CB-CD1 4.02Å; Q35-I39 VanDerWaalsContact O-CG1 3.32Å; Q35-I39 WeakPolarHBondContact O-CG1 3.49Å; Q35-I39 PolarHBondContact O-N 3.47Å; I36-I39 PolarHBondContact O-N 3.06Å; I36-I39 VanDerWaalsContact O-N 3.15Å; I39-L41 PolarHBondContact O-N 2.73Å; I39-L42 VanDerWaalsContact O-CB 3.3Å; I39-L42 WeakPolarHBondContact O-CB 3.47Å; I39-L42 PolarHBondContact O-N 3.27Å; I39-E43 PolarHBondContact O-N 3.1Å; I39-F52 HydrophobicContact CG2-CE1 3.92Å; I39-F52 HydrophobicContact CG2-CZ 4.41Å; I39-P56 HydrophobicContact CB-CB 4.27Å; I39-P56 HydrophobicContact CG2-CB 3.87Å; I39-P56 HydrophobicContact CG2-CG 4.12Å; I39-V63 HydrophobicContact CG2-CG1 4.09Å; I39-I84 HydrophobicContact CD1-CG2 4.24Å; I39-I84 HydrophobicContact CG1-CD1 4.19Å
40Q92.6Very high93.7Very high73 Ų7367.6 Ų67.634%0.34134%0.337SS..Hα-helixtrans-59.9-33.6172.9-73.8170.4-15.800112.2I36 K37 L42 E43 P56I36-Q40 HydrophobicContact CG2-CG 4.39Å; I36-Q40 WeakPolarHBondContact O-CG 3.45Å; I36-Q40 PolarHBondContact O-N 2.99Å; K37-Q40 PolarHBondContact O-N 3.12Å; Q40-L42 VanDerWaalsContact C-N 3.31Å; Q40-L42 PolarHBondContact O-N 3.28Å; Q40-E43 VanDerWaalsContact O-CB 3.32Å; Q40-E43 WeakPolarHBondContact O-CB 3.48Å; Q40-E43 PolarHBondContact O-N 3.45Å; Q40-P56 HydrophobicContact CB-CG 4.5Å; Q40-P56 HydrophobicContact CG-CB 3.92Å; Q40-P56 HydrophobicContact CG-CG 3.55Å; Q40-P56 PolarHBondContact NE2-O 3.27Å
41L92.6Very high93.7Very high93 Ų9367.6 Ų67.649%0.48734%0.336SS..Hα-helixtrans-61.1-40.9173.1178.764000111.3K37 K38 I39 E43 T44K37-L41 PolarHBondContact O-N 2.86Å; K38-L41 WeakPolarHBondContact O-CB 3.47Å; K38-L41 PolarHBondContact O-N 2.86Å; I39-L41 PolarHBondContact O-N 2.73Å; L41-E43 PolarHBondContact O-N 3.25Å; L41-T44 PolarHBondContact O-N 3.44Å; L41-T44 PolarHBondContact O-OG1 2.91Å
42L92.6Very high93.8Very high5 Ų564.3 Ų64.33%0.02631%0.311CS..Hα-helixtrans-60-34.6176.9-65.3177.6000112.3K38 I39 Q40 T44 L45 L48 L50 V75 F78K38-L42 PolarHBondContact O-N 2.76Å; I39-L42 VanDerWaalsContact O-CB 3.3Å; I39-L42 WeakPolarHBondContact O-CB 3.47Å; I39-L42 PolarHBondContact O-N 3.27Å; Q40-L42 VanDerWaalsContact C-N 3.31Å; Q40-L42 PolarHBondContact O-N 3.28Å; L42-T44 PolarHBondContact O-N 3.39Å; L42-L45 HydrophobicContact CD2-CD1 4.13Å; L42-L45 WeakPolarHBondContact O-CB 3.43Å; L42-L45 PolarHBondContact O-N 2.9Å; L42-L45 VanDerWaalsContact O-N 3.12Å; L42-L48 HydrophobicContact CD2-CD1 4.04Å; L42-L50 HydrophobicContact CB-CD1 3.78Å; L42-V75 HydrophobicContact CD1-CG1 4.25Å; L42-F78 HydrophobicContact CD1-CD1 3.66Å; L42-F78 HydrophobicContact CD1-CE1 3.65Å; L42-F78 HydrophobicContact CD2-CD1 3.8Å; L42-F78 HydrophobicContact CD2-CD2 4.17Å; L42-F78 HydrophobicContact CD2-CE1 3.83Å; L42-F78 HydrophobicContact CD2-CE2 4.2Å; L42-F78 HydrophobicContact CD2-CG 3.96Å; L42-F78 HydrophobicContact CD2-CZ 4.02Å; L42-F78 HydrophobicContact CG-CD1 3.98Å; L42-F78 HydrophobicContact CG-CE1 3.67Å; L42-F78 HydrophobicContact CG-CZ 4.07Å
43E88.4Confident93.8Very high76 Ų7661.7 Ų61.736%0.35530%0.297SS..Hα-helixtrans-61.1-29.5175.4-167.5-174.6174.400112.4I39 Q40 L41 L45 F52I39-E43 PolarHBondContact O-N 3.1Å; Q40-E43 VanDerWaalsContact O-CB 3.32Å; Q40-E43 WeakPolarHBondContact O-CB 3.48Å; Q40-E43 PolarHBondContact O-N 3.45Å; L41-E43 PolarHBondContact O-N 3.25Å; E43-L45 VanDerWaalsContact C-N 3.32Å; E43-F52 HydrophobicContact CB-CD2 4.31Å; E43-F52 HydrophobicContact CB-CE2 3.67Å; E43-F52 HydrophobicContact CB-CZ 4.08Å; E43-F52 HydrophobicContact CG-CD2 3.98Å; E43-F52 HydrophobicContact CG-CE2 3.84Å
44T87.2Confident93.7Very high95 Ų9557.9 Ų57.958%0.58328%0.279SS*.THydrogen-bonded Turntrans-82-11.117972.90000113.4L41 L42 E46L41-T44 PolarHBondContact O-N 3.44Å; L41-T44 PolarHBondContact O-OG1 2.91Å; L42-T44 PolarHBondContact O-N 3.39Å; T44-E46 PolarHBondContact O-N 3.41Å; T44-E46 VanDerWaalsContact O-N 3.13Å
45L91.4Very high93.5Very high59 Ų5954.1 Ų54.131%0.30926%0.263SS..  trans-86.478.2-179.5-60.1-178.3000110.9L42 E43 H47 L48L42-L45 HydrophobicContact CD2-CD1 4.13Å; L42-L45 WeakPolarHBondContact O-CB 3.43Å; L42-L45 PolarHBondContact O-N 2.9Å; L42-L45 VanDerWaalsContact O-N 3.12Å; E43-L45 VanDerWaalsContact C-N 3.32Å; L45-H47 PolarHBondContact O-N 2.88Å; L45-L48 HydrophobicContact CB-CD1 3.79Å; L45-L48 HydrophobicContact CB-CG 3.96Å; L45-L48 HydrophobicContact CD1-CD1 3.76Å; L45-L48 HydrophobicContact CG-CD1 4.43Å; L45-L48 WeakPolarHBondContact O-CB 3.46Å; L45-L48 PolarHBondContact O-N 3.09Å
46E88.7Confident93.2Very high117 Ų11753.9 Ų53.955%0.54726%0.263SS..G310 helixtrans-53.6-32.5-175.4-64-175.516900114.2T44 L48 Q49 N269T44-E46 PolarHBondContact O-N 3.41Å; T44-E46 VanDerWaalsContact O-N 3.13Å; E46-L48 PolarHBondContact O-N 2.91Å; E46-Q49 PolarHBondContact O-N 2.94Å; E46-N269 PolarHBondContact OE1-ND2 3.34Å
47H90.9Very high92.9Very high140 Ų14054.9 Ų54.965%0.64827%0.27SS*.G310 helixtrans-65.2-19.4178.470.1-84.2000113.8L45 Q49L45-H47 PolarHBondContact O-N 2.88Å; H47-Q49 VanDerWaalsContact C-N 3.33Å
48L94.1Very high92.6Very high15 Ų1551 Ų518%0.07926%0.258CS..G310 helixtrans-78.9-19.2174.7-63.5-178.4000112.5L42 L45 E46 L50 S71 V75L42-L48 HydrophobicContact CD2-CD1 4.04Å; L45-L48 HydrophobicContact CB-CD1 3.79Å; L45-L48 HydrophobicContact CB-CG 3.96Å; L45-L48 HydrophobicContact CD1-CD1 3.76Å; L45-L48 HydrophobicContact CG-CD1 4.43Å; L45-L48 WeakPolarHBondContact O-CB 3.46Å; L45-L48 PolarHBondContact O-N 3.09Å; E46-L48 PolarHBondContact O-N 2.91Å; L48-L50 HydrophobicContact CB-CD1 4.37Å; L48-L50 HydrophobicContact CB-CD2 3.92Å; L48-L50 HydrophobicContact CB-CG 3.76Å; L48-L50 HydrophobicContact CD1-CD1 4.23Å; L48-L50 HydrophobicContact CD1-CG 4.5Å; L48-L50 PolarHBondContact O-N 3.24Å; L48-S71 WeakPolarHBondContact O-CB 3.37Å; L48-S71 PolarHBondContact O-OG 3.03Å; L48-V75 HydrophobicContact CD1-CG2 4.31Å
49Q94.5Very high92.3Very high131 Ų13150.5 Ų50.561%0.61226%0.26SS*.  trans52.140.1179.6-58.6179.2-5.500113.2E46 H47 P68E46-Q49 PolarHBondContact O-N 2.94Å; H47-Q49 VanDerWaalsContact C-N 3.33Å; Q49-P68 HydrophobicContact CB-CG 4.02Å; Q49-P68 WeakPolarHBondContact O-CD 3.42Å; Q49-P68 VanDerWaalsContact O-CG 3.3Å; Q49-P68 WeakPolarHBondContact O-CG 3.3Å
50L96.3Very high91.9Very high29 Ų2954.8 Ų54.815%0.15230%0.295CS..  trans-70.1143.1177.4-53.7-173.1000110.4L42 L48 F52 V65 I67 V75L42-L50 HydrophobicContact CB-CD1 3.78Å; L48-L50 HydrophobicContact CB-CD1 4.37Å; L48-L50 HydrophobicContact CB-CD2 3.92Å; L48-L50 HydrophobicContact CB-CG 3.76Å; L48-L50 HydrophobicContact CD1-CD1 4.23Å; L48-L50 HydrophobicContact CD1-CG 4.5Å; L48-L50 PolarHBondContact O-N 3.24Å; L50-F52 HydrophobicContact CB-CD2 4.4Å; L50-F52 HydrophobicContact CB-CE2 3.88Å; L50-F52 HydrophobicContact CD1-CE2 4.24Å; L50-F52 HydrophobicContact CD1-CZ 4.27Å; L50-V65 HydrophobicContact CB-CG2 3.97Å; L50-I67 HydrophobicContact CD2-CB 4.36Å; L50-I67 HydrophobicContact CD2-CG1 4.2Å; L50-I67 HydrophobicContact CD2-CG2 3.88Å; L50-V75 HydrophobicContact CD1-CG2 4.43Å; L50-V75 HydrophobicContact CD2-CG2 3.94Å
51D97Very high91.8Very high4 Ų453.3 Ų53.32%0.02129%0.289CS..EExtended strand (participates in β ladder)trans-124.7104.7177.4163.721.6000108.4W53 R66 R181D51-W53 PolarHBondContact O-N 3.44Å; D51-W53 PolarHBondContact OD2-NE1 3.23Å; D51-R66 HydrophobicContact CB-CB 4.16Å; D51-R66 PolarHBondContact N-O 3.06Å; D51-R66 VanDerWaalsContact N-O 3.1Å; D51-R66 PolarHBondContact O-N 3.43Å; D51-R66 IonicContact OD2-CZ 3.88Å; D51-R66 IonicContact OD2-NE 2.84Å; D51-R66 PolarHBondContact OD2-NE 2.95Å; D51-R66 IonicContact OD2-NH2 3.19Å; D51-R66 PolarHBondContact OD2-NH2 2.84Å; D51-R181 IonicContact OD1-CZ 3.57Å; D51-R181 IonicContact OD1-NH1 3.62Å; D51-R181 PolarHBondContact OD1-NH1 3.43Å; D51-R181 IonicContact OD1-NH2 3.46Å; D51-R181 IonicContact OD2-NH1 2.85Å
52F96.3Very high91.9Very high17 Ų1751 Ų518%0.07528%0.28CS..EExtended strand (participates in β ladder)trans-78.5116.4-179.7-71.8-94.5000109.4I39 E43 L50 N55 P56 V63 V65 R181I39-F52 HydrophobicContact CG2-CE1 3.92Å; I39-F52 HydrophobicContact CG2-CZ 4.41Å; E43-F52 HydrophobicContact CB-CD2 4.31Å; E43-F52 HydrophobicContact CB-CE2 3.67Å; E43-F52 HydrophobicContact CB-CZ 4.08Å; E43-F52 HydrophobicContact CG-CD2 3.98Å; E43-F52 HydrophobicContact CG-CE2 3.84Å; L50-F52 HydrophobicContact CB-CD2 4.4Å; L50-F52 HydrophobicContact CB-CE2 3.88Å; L50-F52 HydrophobicContact CD1-CE2 4.24Å; L50-F52 HydrophobicContact CD1-CZ 4.27Å; F52-N55 VanDerWaalsContact CB-OD1 3.29Å; F52-N55 WeakPolarHBondContact CB-OD1 3.35Å; F52-P56 HydrophobicContact CE1-CG 4.47Å; F52-V63 HydrophobicContact CD1-CG1 3.7Å; F52-V63 HydrophobicContact CE1-CG1 3.78Å; F52-V65 HydrophobicContact CD1-CB 4Å; F52-V65 HydrophobicContact CD1-CG2 4.04Å; F52-V65 HydrophobicContact CD2-CG2 4.25Å; F52-V65 HydrophobicContact CE1-CB 4.09Å; F52-V65 HydrophobicContact CE1-CG2 4.01Å; F52-V65 HydrophobicContact CE2-CG2 4.19Å; F52-V65 HydrophobicContact CG-CB 4.5Å; F52-V65 HydrophobicContact CG-CG2 4.18Å; F52-V65 HydrophobicContact CZ-CG2 4.1Å; F52-R181 PolarHBondContact O-NH2 3.5Å
53W96.8Very high92.1Very high13 Ų1350.8 Ų50.85%0.04928%0.279CS..EExtended strand (participates in β ladder)trans-81.8-40.9173.9-71.616.3000110.3V25 D51 D64 L93 M235 Y308 F389V25-W53 HydrophobicContact CG1-CD2 4.28Å; V25-W53 HydrophobicContact CG1-CE3 3.97Å; V25-W53 HydrophobicContact CG1-CZ3 4.21Å; V25-W53 HydrophobicContact CG2-CD2 4.48Å; V25-W53 HydrophobicContact CG2-CE3 4.35Å; V25-W53 HydrophobicContact CG2-CH2 3.72Å; V25-W53 HydrophobicContact CG2-CZ2 3.84Å; V25-W53 HydrophobicContact CG2-CZ3 3.98Å; D51-W53 PolarHBondContact O-N 3.44Å; D51-W53 PolarHBondContact OD2-NE1 3.23Å; W53-D64 HydrophobicContact CB-CB 3.98Å; W53-D64 PolarHBondContact N-O 3.39Å; W53-L93 HydrophobicContact CH2-CD1 3.73Å; W53-L93 HydrophobicContact CZ2-CD1 3.91Å; W53-L93 HydrophobicContact CZ2-CD2 4.32Å; W53-M235 HydrophobicContact CZ2-SD 3.55Å; W53-M235 VanDerWaalsContact CZ2-SD 3.55Å; W53-Y308 HydrophobicContact CB-CE1 4Å; W53-Y308 VanDerWaalsContact CB-OH 3.28Å; W53-Y308 WeakPolarHBondContact CB-OH 3.44Å; W53-Y308 HydrophobicContact CD2-CE1 4.36Å; W53-Y308 AromaticContact CE3-CE1 3.77Å; W53-Y308 HydrophobicContact CE3-CE1 3.77Å; W53-F389 HydrophobicContact CB-CE2 3.72Å; W53-F389 HydrophobicContact CB-CZ 4.17Å; W53-F389 AromaticContact CD1-CE2 3.54Å; W53-F389 AromaticContact CD2-CD2 3.59Å; W53-F389 HydrophobicContact CD2-CD2 3.59Å; W53-F389 AromaticContact CD2-CE2 3.52Å; W53-F389 HydrophobicContact CD2-CE2 3.52Å; W53-F389 AromaticContact CE2-CD2 3.58Å; W53-F389 AromaticContact CE2-CE2 3.84Å; W53-F389 HydrophobicContact CE3-CD2 4Å; W53-F389 HydrophobicContact CE3-CE2 4.15Å; W53-F389 AromaticContact CG-CD2 3.92Å; W53-F389 HydrophobicContact CG-CD2 3.92Å; W53-F389 AromaticContact CG-CE2 3.32Å; W53-F389 HydrophobicContact CG-CE2 3.32Å; W53-F389 HydrophobicContact CG-CZ 4.24Å; W53-F389 HydrophobicContact CH2-CD2 4.36Å; W53-F389 AromaticContact CZ2-CD2 4Å; W53-F389 HydrophobicContact CZ2-CD2 4Å; W53-F389 HydrophobicContact CZ3-CD2 4.37Å; W53-F389 AromaticContact NE1-CD2 3.86Å; W53-F389 AromaticContact NE1-CE2 3.8Å
54L93.8Very high92.6Very high23 Ų2347.2 Ų47.212%0.1226%0.262CS..EExtended strand (participates in β ladder)trans-124.4120.3166.2-60.8178.8000109V63 D64 Y308 S309L54-V63 VanDerWaalsContact O-CG1 3.25Å; L54-V63 WeakPolarHBondContact O-CG1 3.46Å; L54-D64 HydrophobicContact CB-CB 4.1Å; L54-D64 HydrophobicContact CD1-CB 4.32Å; L54-D64 WeakPolarHBondContact CD1-OD2 3.47Å; L54-D64 HydrophobicContact CG-CB 4.1Å; L54-D64 PolarHBondContact N-O 3.04Å; L54-D64 PolarHBondContact O-N 2.95Å; L54-Y308 HydrophobicContact CD1-CE2 4.09Å; L54-Y308 HydrophobicContact CD2-CE2 4.44Å; L54-Y308 HydrophobicContact CG-CE2 4.21Å; L54-S309 WeakPolarHBondContact CD2-OG 3.25Å
55N90.9Very high93.1Very high38 Ų3842.7 Ų42.720%0.20324%0.235CC..  trans-71.9149.1-174.6-69.3-49.9000112.7F52 S57 Y358F52-N55 VanDerWaalsContact CB-OD1 3.29Å; F52-N55 WeakPolarHBondContact CB-OD1 3.35Å; N55-S57 PolarHBondContact O-N 3.17Å; N55-Y358 HydrophobicContact CB-CE1 4.42Å; N55-Y358 PolarHBondContact ND2-OH 2.9Å
56P90.8Very high93.4Very high10 Ų1041.1 Ų41.17%0.06523%0.225CC..  trans-64.4115.9172.728-35.2000111.9I36 I39 Q40 F52 V63I36-P56 HydrophobicContact CG2-CB 4.5Å; I39-P56 HydrophobicContact CB-CB 4.27Å; I39-P56 HydrophobicContact CG2-CB 3.87Å; I39-P56 HydrophobicContact CG2-CG 4.12Å; Q40-P56 HydrophobicContact CB-CG 4.5Å; Q40-P56 HydrophobicContact CG-CB 3.92Å; Q40-P56 HydrophobicContact CG-CG 3.55Å; Q40-P56 PolarHBondContact NE2-O 3.27Å; F52-P56 HydrophobicContact CE1-CG 4.47Å; P56-V63 HydrophobicContact CB-CG1 4.48Å; P56-V63 HydrophobicContact CB-CG2 3.91Å
57S88.8Confident93.9Very high24 Ų2435.6 Ų35.617%0.16820%0.199CC..  trans-122.5-70.1-177.363.70000113.8N55 L61 I357 Y358N55-S57 PolarHBondContact O-N 3.17Å; S57-L61 WeakPolarHBondContact OG-CD1 3.4Å; S57-I357 PolarHBondContact OG-O 2.82Å; S57-Y358 VanDerWaalsContact CB-CB 3.46Å
58T88.8Confident94.2Very high58 Ų5829.1 Ų29.136%0.35617%0.169SC..  trans-135.4156.6-178.470.40000110A60 L61T58-A60 PolarHBondContact O-N 2.89Å; T58-L61 PolarHBondContact O-N 2.97Å; T58-L61 VanDerWaalsContact O-N 3.07Å
59P89.4Confident94.4Very high40 Ų4035 Ų3526%0.2620%0.195SC..THydrogen-bonded Turntrans-58.5-22.2177.8-26.636.6000114.5A30 N32 E33 I36 L61A30-P59 CarbonylContact O-C 3.52Å; A30-P59 WeakPolarHBondContact O-CA 3.25Å; A30-P59 WeakPolarHBondContact O-CB 3.41Å; N32-P59 VanDerWaalsContact C-CG 3.46Å; E33-P59 HydrophobicContact CG-CG 4.46Å; E33-P59 WeakPolarHBondContact OE1-CD 3.47Å; I36-P59 HydrophobicContact CG1-CG 4.19Å; P59-L61 VanDerWaalsContact C-N 3.28Å; P59-L61 PolarHBondContact O-N 3.49Å
60A88.1Confident94.5Very high90 Ų9033.7 Ų33.774%0.74420%0.199SC*.THydrogen-bonded Turntrans-76.9-13.418000000113.7T58T58-A60 PolarHBondContact O-N 2.89Å
61L90.9Very high94.6Very high42 Ų4232.8 Ų32.822%0.2220%0.196CC..SBendtrans-115.1140.9-174-65.3175.8000111S57 T58 P59 I357S57-L61 WeakPolarHBondContact OG-CD1 3.4Å; T58-L61 PolarHBondContact O-N 2.97Å; T58-L61 VanDerWaalsContact O-N 3.07Å; P59-L61 VanDerWaalsContact C-N 3.28Å; P59-L61 PolarHBondContact O-N 3.49Å; L61-I357 WeakPolarHBondContact CD1-O 3.42Å
62P94.8Very high94.6Very high45 Ų4533.5 Ų33.529%0.29220%0.2SC..  trans-71.2155.6175.431.6-34.6000111R27R27-P62 HydrophobicContact CG-CB 3.93Å
63V96.6Very high94.7Very high1 Ų139 Ų391%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-112.8125.1169.4-178.60000107.6R27 I28 I39 F52 L54 P56R27-V63 CarbonylContact C-O 3.57Å; R27-V63 WeakPolarHBondContact CA-O 3.34Å; I28-V63 HydrophobicContact CB-CB 4.2Å; I28-V63 PolarHBondContact N-O 3.34Å; I28-V63 PolarHBondContact O-N 2.97Å; I39-V63 HydrophobicContact CG2-CG1 4.09Å; F52-V63 HydrophobicContact CD1-CG1 3.7Å; F52-V63 HydrophobicContact CE1-CG1 3.78Å; L54-V63 VanDerWaalsContact O-CG1 3.25Å; L54-V63 WeakPolarHBondContact O-CG1 3.46Å; P56-V63 HydrophobicContact CB-CG1 4.48Å; P56-V63 HydrophobicContact CB-CG2 3.91Å
64D98Very high94.8Very high0 Ų041.2 Ų41.20%025%0.246CC..EExtended strand (participates in β ladder)trans-108.9124.7175.7-67.1-10.6000107.9L26 R27 W53 L54 L89 Y308L26-D64 WeakPolarHBondContact O-CA 3.44Å; R27-D64 IonicContact CZ-OD1 3.07Å; R27-D64 IonicContact CZ-OD2 3.98Å; R27-D64 IonicContact NE-OD1 2.73Å; R27-D64 PolarHBondContact NE-OD1 3Å; R27-D64 IonicContact NE-OD2 3.45Å; R27-D64 IonicContact NH2-OD1 3.57Å; R27-D64 PolarHBondContact NH2-OD1 3.21Å; R27-D64 IonicContact NH2-OD2 2.91Å; R27-D64 PolarHBondContact NH2-OD2 3.46Å; W53-D64 HydrophobicContact CB-CB 3.98Å; W53-D64 PolarHBondContact N-O 3.39Å; L54-D64 HydrophobicContact CB-CB 4.1Å; L54-D64 HydrophobicContact CD1-CB 4.32Å; L54-D64 WeakPolarHBondContact CD1-OD2 3.47Å; L54-D64 HydrophobicContact CG-CB 4.1Å; L54-D64 PolarHBondContact N-O 3.04Å; L54-D64 PolarHBondContact O-N 2.95Å; D64-L89 HydrophobicContact CB-CD1 4.39Å; D64-L89 WeakPolarHBondContact OD1-CD1 3.17Å; D64-Y308 WeakPolarHBondContact CB-OH 3.49Å; D64-Y308 PolarHBondContact OD2-OH 2.91Å
65V98.1Very high95Very high1 Ų140.2 Ų40.21%0.00624%0.241CC..EExtended strand (participates in β ladder)trans-135.5125.9-176.7620000110.8V25 L26 I28 L50 F52 I67V25-V65 WeakPolarHBondContact CA-O 3.21Å; L26-V65 HydrophobicContact CB-CG1 4.37Å; L26-V65 PolarHBondContact N-O 3.15Å; L26-V65 PolarHBondContact O-N 3.21Å; I28-V65 HydrophobicContact CD1-CG1 3.54Å; I28-V65 HydrophobicContact CG1-CG1 4.34Å; L50-V65 HydrophobicContact CB-CG2 3.97Å; F52-V65 HydrophobicContact CD1-CB 4Å; F52-V65 HydrophobicContact CD1-CG2 4.04Å; F52-V65 HydrophobicContact CD2-CG2 4.25Å; F52-V65 HydrophobicContact CE1-CB 4.09Å; F52-V65 HydrophobicContact CE1-CG2 4.01Å; F52-V65 HydrophobicContact CE2-CG2 4.19Å; F52-V65 HydrophobicContact CG-CB 4.5Å; F52-V65 HydrophobicContact CG-CG2 4.18Å; F52-V65 HydrophobicContact CZ-CG2 4.1Å; V65-I67 HydrophobicContact CG1-CD1 4.15Å; V65-I67 HydrophobicContact CG1-CG1 4.05Å; V65-I67 HydrophobicContact CG2-CG1 4.27Å
66R98.3Very high95.3Very high26 Ų2639.9 Ų39.910%0.09824%0.238CC..EExtended strand (participates in β ladder)trans-78.5125166.9179.8-168.763.973.2-7.8108.7H23 Q24 V25 D51 L93H23-R66 HydrophobicContact CB-CG 4.47Å; H23-R66 PolarHBondContact ND1-NH1 2.84Å; H23-R66 VanDerWaalsContact ND1-NH1 3.15Å; Q24-R66 CarbonylContact O-C 3.57Å; Q24-R66 WeakPolarHBondContact O-CA 3.46Å; V25-R66 HydrophobicContact CG2-CB 4.2Å; V25-R66 HydrophobicContact CG2-CG 4.48Å; D51-R66 HydrophobicContact CB-CB 4.16Å; D51-R66 PolarHBondContact N-O 3.06Å; D51-R66 VanDerWaalsContact N-O 3.1Å; D51-R66 PolarHBondContact O-N 3.43Å; D51-R66 IonicContact OD2-CZ 3.88Å; D51-R66 IonicContact OD2-NE 2.84Å; D51-R66 PolarHBondContact OD2-NE 2.95Å; D51-R66 IonicContact OD2-NH2 3.19Å; D51-R66 PolarHBondContact OD2-NH2 2.84Å; R66-L93 HydrophobicContact CG-CD2 3.96Å
67I98.4Very high95.7Very high0 Ų042.8 Ų42.80%026%0.255CS..EExtended strand (participates in β ladder)trans-115.6122.6-178.8-51.1174.4000108.6H23 Q24 L26 L50 V65 L72 V75H23-I67 WeakPolarHBondContact CA-O 3.45Å; Q24-I67 PolarHBondContact N-O 3.03Å; Q24-I67 PolarHBondContact O-N 3.39Å; L26-I67 HydrophobicContact CB-CD1 4.33Å; L26-I67 HydrophobicContact CD1-CD1 3.35Å; L26-I67 HydrophobicContact CG-CD1 3.64Å; L50-I67 HydrophobicContact CD2-CB 4.36Å; L50-I67 HydrophobicContact CD2-CG1 4.2Å; L50-I67 HydrophobicContact CD2-CG2 3.88Å; V65-I67 HydrophobicContact CG1-CD1 4.15Å; V65-I67 HydrophobicContact CG1-CG1 4.05Å; V65-I67 HydrophobicContact CG2-CG1 4.27Å; I67-L72 HydrophobicContact CB-CD1 4.1Å; I67-L72 HydrophobicContact CD1-CD1 4.34Å; I67-L72 HydrophobicContact CG2-CB 4.37Å; I67-L72 HydrophobicContact CG2-CD1 4.17Å; I67-V75 HydrophobicContact CD1-CB 3.97Å; I67-V75 HydrophobicContact CD1-CG1 3.55Å; I67-V75 HydrophobicContact CD1-CG2 4.45Å; I67-V75 HydrophobicContact CG2-CB 4.3Å; I67-V75 HydrophobicContact CG2-CG2 3.97Å
68P98.1Very high96.1Very high4 Ų443.9 Ų43.93%0.02626%0.257CS..  trans-57.1147.5171.7-23.233000112.4Q49 S70 S71 L72Q49-P68 HydrophobicContact CB-CG 4.02Å; Q49-P68 WeakPolarHBondContact O-CD 3.42Å; Q49-P68 VanDerWaalsContact O-CG 3.3Å; Q49-P68 WeakPolarHBondContact O-CG 3.3Å; P68-S70 PolarHBondContact O-N 2.94Å; P68-S71 PolarHBondContact O-N 2.96Å; P68-L72 PolarHBondContact O-N 3.48Å
69F97.8Very high96.6Very high140 Ų14041.1 Ų41.161%0.61424%0.24SC*.Hα-helixtrans-52.8-42.1-179.5176.7-103.4000112.3H23 S71 L72H23-F69 PolarHBondContact CD2-N 3.23Å; F69-S71 VanDerWaalsContact C-N 3.26Å; F69-S71 PolarHBondContact O-N 3.22Å; F69-L72 WeakPolarHBondContact O-CB 3.29Å; F69-L72 PolarHBondContact O-N 3.37Å
70S97.5Very high97Very high102 Ų10244 Ų4471%0.71325%0.25SS*.Hα-helixtrans-62.1-28.7178.554.90000114.3P68P68-S70 PolarHBondContact O-N 2.94Å
71S97.9Very high97.4Very high10 Ų1043.8 Ų43.87%0.0724%0.243CC..Hα-helixtrans-98.5-11.9-176.8-57.60000112.3L48 P68 F69 Q73 A74 V75L48-S71 WeakPolarHBondContact O-CB 3.37Å; L48-S71 PolarHBondContact O-OG 3.03Å; P68-S71 PolarHBondContact O-N 2.96Å; F69-S71 VanDerWaalsContact C-N 3.26Å; F69-S71 PolarHBondContact O-N 3.22Å; S71-Q73 PolarHBondContact O-N 2.81Å; S71-A74 PolarHBondContact O-N 3Å; S71-V75 WeakPolarHBondContact O-CG2 3.38Å; S71-V75 PolarHBondContact O-N 3.41Å
72L97.4Very high97.7Very high20 Ų2043.5 Ų43.511%0.10524%0.241CC..Hα-helixtrans-57.5-49.4-168.4-173.265.5000113.2Q24 I67 P68 F69 A74 V75 K76Q24-L72 HydrophobicContact CB-CD1 3.83Å; Q24-L72 HydrophobicContact CG-CD1 3.79Å; Q24-L72 HydrophobicContact CG-CD2 3.65Å; Q24-L72 HydrophobicContact CG-CG 4.38Å; I67-L72 HydrophobicContact CB-CD1 4.1Å; I67-L72 HydrophobicContact CD1-CD1 4.34Å; I67-L72 HydrophobicContact CG2-CB 4.37Å; I67-L72 HydrophobicContact CG2-CD1 4.17Å; P68-L72 PolarHBondContact O-N 3.48Å; F69-L72 WeakPolarHBondContact O-CB 3.29Å; F69-L72 PolarHBondContact O-N 3.37Å; L72-A74 PolarHBondContact O-N 3.18Å; L72-V75 PolarHBondContact O-N 3.44Å; L72-K76 HydrophobicContact CD1-CD 4.47Å; L72-K76 HydrophobicContact CG-CD 4.36Å; L72-K76 WeakPolarHBondContact O-CG 3.47Å; L72-K76 PolarHBondContact O-N 3.4Å
73Q97.8Very high97.9Very high133 Ų13347.8 Ų47.862%0.62126%0.262SS*.Hα-helixtrans-64.2-42.8-179-17360.536.700111.6S71 V75 K76 V77S71-Q73 PolarHBondContact O-N 2.81Å; Q73-V75 VanDerWaalsContact C-N 3.34Å; Q73-V75 PolarHBondContact O-N 3.25Å; Q73-K76 PolarHBondContact O-N 3.43Å; Q73-V77 VanDerWaalsContact O-CG2 3.3Å; Q73-V77 WeakPolarHBondContact O-CG2 3.42Å; Q73-V77 PolarHBondContact O-N 2.84Å
74A97.8Very high97.9Very high58 Ų5848 Ų4848%0.47926%0.263SS..Hα-helixtrans-62.6-42.6-179.900000111.4S71 L72 F78S71-A74 PolarHBondContact O-N 3Å; L72-A74 PolarHBondContact O-N 3.18Å; A74-F78 WeakPolarHBondContact O-CB 3.5Å; A74-F78 PolarHBondContact O-N 2.94Å
75V98.1Very high97.9Very high2 Ų254.2 Ų54.21%0.01229%0.292CS..Hα-helixtrans-68.8-43.4178.4179.20000111.6L42 L48 L50 I67 S71 L72 Q73 V77 F78 L79L42-V75 HydrophobicContact CD1-CG1 4.25Å; L48-V75 HydrophobicContact CD1-CG2 4.31Å; L50-V75 HydrophobicContact CD1-CG2 4.43Å; L50-V75 HydrophobicContact CD2-CG2 3.94Å; I67-V75 HydrophobicContact CD1-CB 3.97Å; I67-V75 HydrophobicContact CD1-CG1 3.55Å; I67-V75 HydrophobicContact CD1-CG2 4.45Å; I67-V75 HydrophobicContact CG2-CB 4.3Å; I67-V75 HydrophobicContact CG2-CG2 3.97Å; S71-V75 WeakPolarHBondContact O-CG2 3.38Å; S71-V75 PolarHBondContact O-N 3.41Å; L72-V75 PolarHBondContact O-N 3.44Å; Q73-V75 VanDerWaalsContact C-N 3.34Å; Q73-V75 PolarHBondContact O-N 3.25Å; V75-V77 PolarHBondContact O-N 3.04Å; V75-F78 WeakPolarHBondContact O-CB 3.29Å; V75-F78 PolarHBondContact O-N 2.94Å; V75-F78 VanDerWaalsContact O-N 3.16Å; V75-L79 HydrophobicContact CG1-CD1 4.08Å; V75-L79 HydrophobicContact CG1-CG 4.3Å; V75-L79 WeakPolarHBondContact O-CG 3.33Å; V75-L79 PolarHBondContact O-N 3.03Å
76K98.4Very high97.9Very high31 Ų3157.2 Ų57.214%0.13530%0.304CS..Hα-helixtrans-59.4-45.9177.4-74.3-176.4174.9179.90112L26 L72 Q73 F78 L79 E80 Y86L26-K76 HydrophobicContact CD1-CG 4.26Å; L72-K76 HydrophobicContact CD1-CD 4.47Å; L72-K76 HydrophobicContact CG-CD 4.36Å; L72-K76 WeakPolarHBondContact O-CG 3.47Å; L72-K76 PolarHBondContact O-N 3.4Å; Q73-K76 PolarHBondContact O-N 3.43Å; K76-F78 VanDerWaalsContact C-N 3.32Å; K76-F78 PolarHBondContact O-N 3.16Å; K76-L79 PolarHBondContact O-N 3.18Å; K76-E80 WeakPolarHBondContact O-CB 3.49Å; K76-E80 WeakPolarHBondContact O-CG 3.34Å; K76-E80 PolarHBondContact O-N 2.81Å; K76-Y86 HydrophobicContact CD-CE2 4.24Å; K76-Y86 WeakPolarHBondContact CD-OH 3.39Å; K76-Y86 HydrophobicContact CG-CE1 4.48Å; K76-Y86 HydrophobicContact CG-CE2 4.1Å; K76-Y86 WeakPolarHBondContact CG-OH 3.5Å
77V98.3Very high97.9Very high71 Ų7158.5 Ų58.543%0.4332%0.317SS..Hα-helixtrans-61.5-39.8175.3171.70000111.6Q73 V75 S81Q73-V77 VanDerWaalsContact O-CG2 3.3Å; Q73-V77 WeakPolarHBondContact O-CG2 3.42Å; Q73-V77 PolarHBondContact O-N 2.84Å; V75-V77 PolarHBondContact O-N 3.04Å; V77-S81 VanDerWaalsContact O-CB 3.29Å; V77-S81 WeakPolarHBondContact O-CB 3.33Å; V77-S81 PolarHBondContact O-N 2.92Å; V77-S81 PolarHBondContact O-OG 3.33Å
78F98.1Very high97.8Very high48 Ų4862 Ų6221%0.21134%0.335CS..Hα-helixtrans-61.3-44.9174.8174.2-87.2000112K38 L42 A74 V75 K76 S81 N82 I84K38-F78 HydrophobicContact CB-CE1 4.38Å; K38-F78 HydrophobicContact CB-CZ 4.02Å; L42-F78 HydrophobicContact CD1-CD1 3.66Å; L42-F78 HydrophobicContact CD1-CE1 3.65Å; L42-F78 HydrophobicContact CD2-CD1 3.8Å; L42-F78 HydrophobicContact CD2-CD2 4.17Å; L42-F78 HydrophobicContact CD2-CE1 3.83Å; L42-F78 HydrophobicContact CD2-CE2 4.2Å; L42-F78 HydrophobicContact CD2-CG 3.96Å; L42-F78 HydrophobicContact CD2-CZ 4.02Å; L42-F78 HydrophobicContact CG-CD1 3.98Å; L42-F78 HydrophobicContact CG-CE1 3.67Å; L42-F78 HydrophobicContact CG-CZ 4.07Å; A74-F78 WeakPolarHBondContact O-CB 3.5Å; A74-F78 PolarHBondContact O-N 2.94Å; V75-F78 WeakPolarHBondContact O-CB 3.29Å; V75-F78 PolarHBondContact O-N 2.94Å; V75-F78 VanDerWaalsContact O-N 3.16Å; K76-F78 VanDerWaalsContact C-N 3.32Å; K76-F78 PolarHBondContact O-N 3.16Å; F78-S81 PolarHBondContact O-OG 3.48Å; F78-N82 WeakPolarHBondContact O-CB 3.18Å; F78-N82 PolarHBondContact O-N 2.85Å; F78-N82 PolarHBondContact O-ND2 2.9Å; F78-I84 HydrophobicContact CE1-CD1 4.47Å
79L98.1Very high97.7Very high0 Ų063.7 Ų63.70%034%0.343CS..Hα-helixtrans-64.7-47.4179.4-65.1171.5000111L26 I28 V75 K76 N82 N83 I84 Y86L26-L79 HydrophobicContact CD1-CD1 4.18Å; I28-L79 HydrophobicContact CD1-CD1 3.95Å; I28-L79 HydrophobicContact CD1-CD2 3.98Å; I28-L79 HydrophobicContact CG1-CD1 4.06Å; I28-L79 HydrophobicContact CG1-CD2 4.42Å; I28-L79 HydrophobicContact CG2-CD2 4.11Å; V75-L79 HydrophobicContact CG1-CD1 4.08Å; V75-L79 HydrophobicContact CG1-CG 4.3Å; V75-L79 WeakPolarHBondContact O-CG 3.33Å; V75-L79 PolarHBondContact O-N 3.03Å; K76-L79 PolarHBondContact O-N 3.18Å; L79-N82 CarbonylContact O-C 3.48Å; L79-N82 PolarHBondContact O-N 2.79Å; L79-N83 PolarHBondContact O-N 3.09Å; L79-I84 HydrophobicContact CB-CB 4.33Å; L79-I84 HydrophobicContact CD2-CB 4Å; L79-I84 HydrophobicContact CD2-CD1 4.19Å; L79-I84 HydrophobicContact CD2-CG2 3.81Å; L79-I84 PolarHBondContact O-N 3.3Å; L79-Y86 HydrophobicContact CB-CD1 3.85Å; L79-Y86 HydrophobicContact CB-CE1 4.17Å; L79-Y86 HydrophobicContact CD1-CD1 3.68Å; L79-Y86 HydrophobicContact CD1-CE1 4.31Å; L79-Y86 HydrophobicContact CD1-CG 3.94Å; L79-Y86 HydrophobicContact CG-CD1 4.41Å
80E98.2Very high97.7Very high101 Ų10157.4 Ų57.447%0.47232%0.316SS..Hα-helixtrans-61.7-47.1179.3-72.1157.8-160.200112.1K76 N82 N83 Y86K76-E80 WeakPolarHBondContact O-CB 3.49Å; K76-E80 WeakPolarHBondContact O-CG 3.34Å; K76-E80 PolarHBondContact O-N 2.81Å; E80-N82 PolarHBondContact O-N 3.43Å; E80-N83 PolarHBondContact O-N 3.23Å; E80-Y86 HydrophobicContact CG-CE1 4.1Å; E80-Y86 PolarHBondContact OE1-OH 3.13Å
81S97.8Very high97.7Very high84 Ų8457.6 Ų57.659%0.58731%0.31SS*.Hα-helixtrans-64.7-20178.559.20000114V77 F78V77-S81 VanDerWaalsContact O-CB 3.29Å; V77-S81 WeakPolarHBondContact O-CB 3.33Å; V77-S81 PolarHBondContact O-N 2.92Å; V77-S81 PolarHBondContact O-OG 3.33Å; F78-S81 PolarHBondContact O-OG 3.48Å
82N97.1Very high97.7Very high36 Ų3659.3 Ų59.319%0.19332%0.318CS..THydrogen-bonded Turntrans-101.58.4175.8-74.3-80.3000113.5Q35 K38 F78 L79 E80 I84Q35-N82 PolarHBondContact NE2-O 2.99Å; K38-N82 HydrophobicContact CD-CB 4.14Å; K38-N82 VanDerWaalsContact CD-OD1 3.28Å; K38-N82 WeakPolarHBondContact CD-OD1 3.43Å; K38-N82 VanDerWaalsContact CE-OD1 3.3Å; K38-N82 WeakPolarHBondContact CE-OD1 3.46Å; K38-N82 PolarHBondContact NZ-OD1 3.09Å; F78-N82 WeakPolarHBondContact O-CB 3.18Å; F78-N82 PolarHBondContact O-N 2.85Å; F78-N82 PolarHBondContact O-ND2 2.9Å; L79-N82 CarbonylContact O-C 3.48Å; L79-N82 PolarHBondContact O-N 2.79Å; E80-N82 PolarHBondContact O-N 3.43Å; N82-I84 HydrophobicContact CB-CD1 3.81Å; N82-I84 HydrophobicContact CB-CG1 3.9Å; N82-I84 PolarHBondContact O-N 2.88Å
83N97.3Very high97.7Very high136 Ų13658.4 Ų58.473%0.72731%0.313SS*.THydrogen-bonded Turntrans52.539.1-175.7-56.7-60.8000112.5Q35 L79 E80Q35-N83 PolarHBondContact NE2-O 3.13Å; L79-N83 PolarHBondContact O-N 3.09Å; E80-N83 PolarHBondContact O-N 3.23Å
84I98.1Very high97.7Very high5 Ų553 Ų533%0.02629%0.288CS..  trans-96.1118.1176.7-59.1172.6000107.8I28 Q35 K38 I39 F78 L79 N82I28-I84 HydrophobicContact CG2-CG2 3.32Å; Q35-I84 HydrophobicContact CB-CD1 4.29Å; Q35-I84 HydrophobicContact CB-CG1 4.13Å; Q35-I84 HydrophobicContact CG-CD1 4.35Å; Q35-I84 HydrophobicContact CG-CG1 3.83Å; K38-I84 HydrophobicContact CB-CD1 4.27Å; I39-I84 HydrophobicContact CD1-CG2 4.24Å; I39-I84 HydrophobicContact CG1-CD1 4.19Å; F78-I84 HydrophobicContact CE1-CD1 4.47Å; L79-I84 HydrophobicContact CB-CB 4.33Å; L79-I84 HydrophobicContact CD2-CB 4Å; L79-I84 HydrophobicContact CD2-CD1 4.19Å; L79-I84 HydrophobicContact CD2-CG2 3.81Å; L79-I84 PolarHBondContact O-N 3.3Å; N82-I84 HydrophobicContact CB-CD1 3.81Å; N82-I84 HydrophobicContact CB-CG1 3.9Å; N82-I84 PolarHBondContact O-N 2.88Å
85E97.4Very high97.8Very high131 Ų13153.7 Ų53.761%0.61229%0.286SS*.EExtended strand (participates in β ladder)trans-71.8139.9179.4-68-175.9-175.900111.3I28 K29I28-E85 WeakPolarHBondContact CA-O 3.49Å; K29-E85 PolarHBondContact N-O 2.73Å
86Y98Very high97.7Very high63 Ų6354.9 Ų54.925%0.24729%0.292CS..EExtended strand (participates in β ladder)trans-143.2157.5171.670.9-90000111.9L26 R27 K76 L79 E80L26-Y86 HydrophobicContact CD1-CD2 3.75Å; L26-Y86 HydrophobicContact CD1-CE2 4.09Å; L26-Y86 HydrophobicContact CD1-CG 4.26Å; L26-Y86 HydrophobicContact CD2-CD2 4.15Å; L26-Y86 HydrophobicContact CD2-CE2 4.46Å; L26-Y86 HydrophobicContact CG-CD2 4.4Å; R27-Y86 CarbonylContact O-C 3.05Å; R27-Y86 WeakPolarHBondContact O-CA 3.47Å; K76-Y86 HydrophobicContact CD-CE2 4.24Å; K76-Y86 WeakPolarHBondContact CD-OH 3.39Å; K76-Y86 HydrophobicContact CG-CE1 4.48Å; K76-Y86 HydrophobicContact CG-CE2 4.1Å; K76-Y86 WeakPolarHBondContact CG-OH 3.5Å; L79-Y86 HydrophobicContact CB-CD1 3.85Å; L79-Y86 HydrophobicContact CB-CE1 4.17Å; L79-Y86 HydrophobicContact CD1-CD1 3.68Å; L79-Y86 HydrophobicContact CD1-CE1 4.31Å; L79-Y86 HydrophobicContact CD1-CG 3.94Å; L79-Y86 HydrophobicContact CG-CD1 4.41Å; E80-Y86 HydrophobicContact CG-CE1 4.1Å; E80-Y86 PolarHBondContact OE1-OH 3.13Å
87S97.8Very high97.7Very high53 Ų5353.6 Ų53.637%0.37129%0.287SS..EExtended strand (participates in β ladder)trans-130.4147.9169.957.20000110L26 R27 L89L26-S87 WeakPolarHBondContact CA-O 3.45Å; R27-S87 PolarHBondContact N-O 3.28Å; R27-S87 PolarHBondContact O-N 3.15Å; S87-L89 PolarHBondContact O-N 3.11Å
88I97.8Very high97.6Very high74 Ų7453.4 Ų53.438%0.37928%0.283SS..EExtended strand (participates in β ladder)trans-79.1116.6174.1-57.2169.8000107.7L26 D91L26-I88 HydrophobicContact CD2-CB 4.25Å; L26-I88 HydrophobicContact CD2-CG1 3.71Å; I88-D91 HydrophobicContact CG2-CB 4.18Å
89L96.1Very high97.6Very high39 Ų3956 Ų5620%0.20430%0.296CS..EExtended strand (participates in β ladder)trans-84.3-47.1173-70.5177.1000110.9V25 R27 D64 S87 G385V25-L89 HydrophobicContact CB-CB 4.46Å; V25-L89 HydrophobicContact CG1-CB 4.42Å; V25-L89 HydrophobicContact CG1-CD1 4.24Å; V25-L89 WeakPolarHBondContact O-CB 3.41Å; V25-L89 PolarHBondContact O-N 2.93Å; R27-L89 HydrophobicContact CB-CD1 3.65Å; R27-L89 HydrophobicContact CB-CD2 3.92Å; R27-L89 HydrophobicContact CB-CG 3.6Å; D64-L89 HydrophobicContact CB-CD1 4.39Å; D64-L89 WeakPolarHBondContact OD1-CD1 3.17Å; S87-L89 PolarHBondContact O-N 3.11Å; L89-G385 WeakPolarHBondContact CD1-O 3.12Å
90V97.6Very high97.5Very high8 Ų856.7 Ų56.75%0.04830%0.299CS..EExtended strand (participates in β ladder)trans-126.6118.8178.7-178.40000107.7Q24 V25 L93 L96Q24-V90 VanDerWaalsContact CA-O 3.29Å; Q24-V90 WeakPolarHBondContact CA-O 3.39Å; V25-V90 HydrophobicContact CB-CB 3.89Å; V25-V90 HydrophobicContact CB-CG2 4.08Å; V25-V90 HydrophobicContact CG2-CB 3.94Å; V25-V90 HydrophobicContact CG2-CG2 4.14Å; V25-V90 PolarHBondContact N-O 3.22Å; V25-V90 PolarHBondContact O-N 3.04Å; V90-L93 HydrophobicContact CG1-CB 4.43Å; V90-L93 HydrophobicContact CG1-CD1 4.15Å; V90-L96 HydrophobicContact CG1-CD1 3.69Å; V90-L96 HydrophobicContact CG1-CG 4.31Å; V90-L96 HydrophobicContact CG2-CD1 3.98Å
91D97.3Very high97.4Very high107 Ų10755.6 Ų55.657%0.57229%0.293SS*.SBendtrans-78.6-38.3-175.9-169.760.9000112.8Q24 I88Q24-D91 WeakPolarHBondContact CG-O 3.4Å; Q24-D91 PolarHBondContact NE2-O 2.92Å; Q24-D91 PolarHBondContact NE2-OD1 3.42Å; I88-D91 HydrophobicContact CG2-CB 4.18Å
92D97.9Very high97.3Very high46 Ų4656.4 Ų56.425%0.24629%0.287CS..  trans-141.8110.1171-170.5-14.5000110G22 Q94 V95G22-D92 PolarHBondContact N-OD1 3.05Å; G22-D92 PolarHBondContact N-OD2 2.92Å; D92-Q94 PolarHBondContact O-N 2.72Å; D92-Q94 WeakPolarHBondContact OD1-CB 3.32Å; D92-Q94 PolarHBondContact OD1-N 2.78Å; D92-V95 HydrophobicContact CB-CG2 3.92Å; D92-V95 PolarHBondContact O-N 2.84Å
93L97.5Very high97.2Very high1 Ų157.7 Ų57.71%0.00529%0.294CS..Hα-helixtrans-64.7-27.2-179.5-167.370000112.5F20 H23 V25 W53 R66 V90 V95 L96 L97 M235 L390F20-L93 HydrophobicContact CB-CB 4.01Å; F20-L93 HydrophobicContact CB-CD2 3.95Å; F20-L93 HydrophobicContact CB-CG 4.23Å; F20-L93 HydrophobicContact CD1-CD2 3.98Å; F20-L93 HydrophobicContact CG-CD2 3.95Å; H23-L93 HydrophobicContact CB-CB 4.13Å; H23-L93 PolarHBondContact O-N 3.21Å; V25-L93 HydrophobicContact CG2-CD1 4.12Å; W53-L93 HydrophobicContact CH2-CD1 3.73Å; W53-L93 HydrophobicContact CZ2-CD1 3.91Å; W53-L93 HydrophobicContact CZ2-CD2 4.32Å; R66-L93 HydrophobicContact CG-CD2 3.96Å; V90-L93 HydrophobicContact CG1-CB 4.43Å; V90-L93 HydrophobicContact CG1-CD1 4.15Å; L93-V95 VanDerWaalsContact C-N 3.28Å; L93-V95 PolarHBondContact O-N 2.9Å; L93-L96 PolarHBondContact O-N 2.9Å; L93-L97 PolarHBondContact O-N 2.85Å; L93-M235 HydrophobicContact CD2-CG 4.33Å; L93-M235 HydrophobicContact CD2-SD 4.08Å; L93-L390 HydrophobicContact CD1-CD1 3.34Å; L93-L390 HydrophobicContact CD1-CG 4.41Å; L93-L390 HydrophobicContact CG-CD1 3.86Å
94Q98.1Very high97.2Very high18 Ų1852.9 Ų52.98%0.08427%0.268CS..Hα-helixtrans-66-33.3179.1-171.763.353.700111.9V21 D92 L97 D98V21-Q94 HydrophobicContact CG2-CB 4.13Å; V21-Q94 HydrophobicContact CG2-CG 3.79Å; D92-Q94 PolarHBondContact O-N 2.72Å; D92-Q94 WeakPolarHBondContact OD1-CB 3.32Å; D92-Q94 PolarHBondContact OD1-N 2.78Å; Q94-L97 PolarHBondContact O-N 3.19Å; Q94-D98 PolarHBondContact NE2-OD1 3.04Å; Q94-D98 WeakPolarHBondContact O-CB 3.44Å; Q94-D98 VanDerWaalsContact O-CG 3.25Å; Q94-D98 PolarHBondContact O-N 3.1Å
95V98.1Very high97Very high73 Ų7355 Ų5544%0.44229%0.286SS..Hα-helixtrans-61-48.8178.9174.50000110.6D92 L93 L97 D98 E99D92-V95 HydrophobicContact CB-CG2 3.92Å; D92-V95 PolarHBondContact O-N 2.84Å; L93-V95 VanDerWaalsContact C-N 3.28Å; L93-V95 PolarHBondContact O-N 2.9Å; V95-L97 VanDerWaalsContact C-N 3.3Å; V95-L97 PolarHBondContact O-N 3.46Å; V95-D98 PolarHBondContact O-N 3.26Å; V95-E99 WeakPolarHBondContact O-CG 3.18Å; V95-E99 PolarHBondContact O-N 3.07Å
96L97.6Very high96.8Very high27 Ų2754.8 Ų54.814%0.14128%0.28CS..Hα-helixtrans-62.2-38.1177-63.6-175.9000112V90 L93 E99 E100 Y387 L390V90-L96 HydrophobicContact CG1-CD1 3.69Å; V90-L96 HydrophobicContact CG1-CG 4.31Å; V90-L96 HydrophobicContact CG2-CD1 3.98Å; L93-L96 PolarHBondContact O-N 2.9Å; L96-E99 PolarHBondContact O-N 2.87Å; L96-E100 WeakPolarHBondContact O-CB 3.48Å; L96-E100 PolarHBondContact O-N 3.05Å; L96-Y387 HydrophobicContact CD1-CD1 4.25Å; L96-Y387 HydrophobicContact CD2-CD1 4.06Å; L96-Y387 HydrophobicContact CD2-CE1 4.15Å; L96-L390 HydrophobicContact CB-CB 4.15Å; L96-L390 HydrophobicContact CB-CD1 3.6Å; L96-L390 HydrophobicContact CD1-CB 4.35Å; L96-L390 HydrophobicContact CD1-CD1 4.28Å
97L97.1Very high96.5Very high5 Ų552.2 Ų52.23%0.02627%0.271CS..Hα-helixtrans-68.1-36.8177.2-17855.7000112.6F20 L93 Q94 V95 E100 K101 R234 L390F20-L97 HydrophobicContact CD2-CD2 3.73Å; F20-L97 HydrophobicContact CE2-CD2 4.03Å; L93-L97 PolarHBondContact O-N 2.85Å; Q94-L97 PolarHBondContact O-N 3.19Å; V95-L97 VanDerWaalsContact C-N 3.3Å; V95-L97 PolarHBondContact O-N 3.46Å; L97-E100 WeakPolarHBondContact CD1-OE1 3.33Å; L97-K101 HydrophobicContact CD1-CG 4.49Å; L97-K101 HydrophobicContact CG-CD 4.45Å; L97-K101 WeakPolarHBondContact O-CG 3.48Å; L97-K101 PolarHBondContact O-N 3.42Å; L97-R234 HydrophobicContact CD1-CB 4.1Å; L97-R234 HydrophobicContact CD1-CG 3.74Å; L97-R234 HydrophobicContact CD2-CB 4.38Å; L97-L390 HydrophobicContact CD1-CD2 4.5Å
98D97.6Very high96.1Very high67 Ų6754 Ų5436%0.35827%0.273SS..Hα-helixtrans-69.7-38.7177.5-71.4-14.5000111.1Q94 V95 K101 Q102Q94-D98 PolarHBondContact NE2-OD1 3.04Å; Q94-D98 WeakPolarHBondContact O-CB 3.44Å; Q94-D98 VanDerWaalsContact O-CG 3.25Å; Q94-D98 PolarHBondContact O-N 3.1Å; V95-D98 PolarHBondContact O-N 3.26Å; D98-K101 PolarHBondContact O-N 3.14Å; D98-Q102 WeakPolarHBondContact O-CB 3.47Å; D98-Q102 WeakPolarHBondContact O-CG 3.47Å; D98-Q102 PolarHBondContact O-N 3.14Å
99E96.8Very high95.7Very high101 Ų10157.1 Ų57.147%0.47229%0.286SS..Hα-helixtrans-60.9-48.9171.3-71.6177.9175.100111.7V95 L96 K101 Q102 D103V95-E99 WeakPolarHBondContact O-CG 3.18Å; V95-E99 PolarHBondContact O-N 3.07Å; L96-E99 PolarHBondContact O-N 2.87Å; E99-K101 PolarHBondContact O-N 2.99Å; E99-Q102 PolarHBondContact O-N 2.81Å; E99-D103 PolarHBondContact O-N 2.99Å
100E97.6Very high95.3Very high16 Ų1663.5 Ų63.58%0.07531%0.308CS..Hα-helixtrans-54.5-49.6176.3-178.3-175.976.200111.6L96 L97 Q102 D103 M104 Y122 W183 R234L96-E100 WeakPolarHBondContact O-CB 3.48Å; L96-E100 PolarHBondContact O-N 3.05Å; L97-E100 WeakPolarHBondContact CD1-OE1 3.33Å; E100-Q102 PolarHBondContact O-N 2.92Å; E100-D103 PolarHBondContact O-N 2.83Å; E100-M104 HydrophobicContact CG-SD 4.2Å; E100-M104 VanDerWaalsContact O-CG 3.32Å; E100-M104 WeakPolarHBondContact O-CG 3.15Å; E100-M104 PolarHBondContact O-N 3.49Å; E100-Y122 HydrophobicContact CG-CD2 4.2Å; E100-W183 HydrophobicContact CG-CE3 4.45Å; E100-W183 HydrophobicContact CG-CZ3 4.01Å; E100-W183 WeakPolarHBondContact OE1-CZ3 3.41Å; E100-W183 VanDerWaalsContact OE2-CE3 3.29Å; E100-R234 WeakPolarHBondContact OE1-CD 3.22Å; E100-R234 IonicContact OE1-CZ 3.76Å; E100-R234 IonicContact OE1-NE 2.72Å; E100-R234 PolarHBondContact OE1-NE 2.95Å; E100-R234 IonicContact OE1-NH2 3.39Å; E100-R234 IonicContact OE2-CZ 3.72Å; E100-R234 IonicContact OE2-NE 3.8Å; E100-R234 PolarHBondContact OE2-NE 2.8Å; E100-R234 IonicContact OE2-NH2 3.13Å; E100-R234 PolarHBondContact OE2-NH2 3.07Å
101K95.8Very high94.8Very high78 Ų7864.5 Ų64.534%0.33931%0.312SS..Hα-helixtrans-64.5-39.9179.3-74.5174.2-175.6166.40112.8L97 D98 E99 D103 A105L97-K101 HydrophobicContact CD1-CG 4.49Å; L97-K101 HydrophobicContact CG-CD 4.45Å; L97-K101 WeakPolarHBondContact O-CG 3.48Å; L97-K101 PolarHBondContact O-N 3.42Å; D98-K101 PolarHBondContact O-N 3.14Å; E99-K101 PolarHBondContact O-N 2.99Å; K101-D103 VanDerWaalsContact C-N 3.35Å; K101-A105 WeakPolarHBondContact O-CB 3.5Å; K101-A105 PolarHBondContact O-N 3.13Å
102Q96.1Very high94.2Very high100 Ų10067.8 Ų67.847%0.46732%0.316SS..Hα-helixtrans-63.6-43177.1-76.3176.73600111.2D98 E99 E100 A105 R106D98-Q102 WeakPolarHBondContact O-CB 3.47Å; D98-Q102 WeakPolarHBondContact O-CG 3.47Å; D98-Q102 PolarHBondContact O-N 3.14Å; E99-Q102 PolarHBondContact O-N 2.81Å; E100-Q102 PolarHBondContact O-N 2.92Å; Q102-A105 PolarHBondContact O-N 2.94Å; Q102-R106 WeakPolarHBondContact O-CB 3.46Å; Q102-R106 VanDerWaalsContact O-CG 3.25Å; Q102-R106 WeakPolarHBondContact O-CG 3.5Å; Q102-R106 PolarHBondContact O-N 2.94Å
103D94.6Very high93.3Very high63 Ų6370.2 Ų70.234%0.33734%0.337SS..Hα-helixtrans-66.5-43.2178.5-79.6-9.9000112.1E99 E100 K101 A105 R106 S107E99-D103 PolarHBondContact O-N 2.99Å; E100-D103 PolarHBondContact O-N 2.83Å; K101-D103 VanDerWaalsContact C-N 3.35Å; D103-A105 PolarHBondContact O-N 2.83Å; D103-R106 PolarHBondContact O-N 2.85Å; D103-R106 IonicContact OD1-NH1 3.68Å; D103-S107 WeakPolarHBondContact O-CB 3.39Å; D103-S107 PolarHBondContact O-N 3.08Å
104M95.6Very high92.7Very high35 Ų3573.1 Ų73.117%0.17236%0.357CS..Hα-helixtrans-59.3-46.5173.4-71.9175.369.200112E100 R106 S107 Q108 W183E100-M104 HydrophobicContact CG-SD 4.2Å; E100-M104 VanDerWaalsContact O-CG 3.32Å; E100-M104 WeakPolarHBondContact O-CG 3.15Å; E100-M104 PolarHBondContact O-N 3.49Å; M104-R106 PolarHBondContact O-N 3.28Å; M104-S107 PolarHBondContact O-N 2.88Å; M104-Q108 WeakPolarHBondContact O-CB 3.31Å; M104-Q108 PolarHBondContact O-N 2.89Å; M104-W183 HydrophobicContact CE-CH2 4.39Å; M104-W183 HydrophobicContact CE-CZ3 4.23Å; M104-W183 HydrophobicContact SD-CH2 4.11Å; M104-W183 HydrophobicContact SD-CZ3 3.57Å; M104-W183 VanDerWaalsContact SD-CZ3 3.57Å
105A94.5Very high91.9Very high49 Ų4979.5 Ų79.541%0.40539%0.392SS..Hα-helixtrans-62.6-42.6179.500000112K101 Q102 D103 Q109K101-A105 WeakPolarHBondContact O-CB 3.5Å; K101-A105 PolarHBondContact O-N 3.13Å; Q102-A105 PolarHBondContact O-N 2.94Å; D103-A105 PolarHBondContact O-N 2.83Å; A105-Q109 WeakPolarHBondContact O-CG 3.34Å; A105-Q109 PolarHBondContact O-N 3.3Å; A105-Q109 VanDerWaalsContact O-N 3.17Å
106R93.2Very high91.5Very high128 Ų12880.3 Ų80.348%0.48340%0.397SS..Hα-helixtrans-64-41.6175.4-73.1169.2-177.9166.23.7111.7Q102 D103 M104 Q109 R110Q102-R106 WeakPolarHBondContact O-CB 3.46Å; Q102-R106 VanDerWaalsContact O-CG 3.25Å; Q102-R106 WeakPolarHBondContact O-CG 3.5Å; Q102-R106 PolarHBondContact O-N 2.94Å; D103-R106 PolarHBondContact O-N 2.85Å; D103-R106 IonicContact OD1-NH1 3.68Å; M104-R106 PolarHBondContact O-N 3.28Å; R106-Q109 PolarHBondContact O-N 3.2Å; R106-R110 WeakPolarHBondContact O-CG 3.3Å; R106-R110 PolarHBondContact O-N 3.43Å
107S91.4Very high91.3Very high8 Ų880.8 Ų80.86%0.05640%0.398CS..Hα-helixtrans-65.7-45.9178.2-168.90000111.3D103 M104 Q109 R110 E111 N118 T121D103-S107 WeakPolarHBondContact O-CB 3.39Å; D103-S107 PolarHBondContact O-N 3.08Å; M104-S107 PolarHBondContact O-N 2.88Å; S107-Q109 PolarHBondContact O-N 3.21Å; S107-R110 WeakPolarHBondContact O-CA 3.47Å; S107-R110 WeakPolarHBondContact O-CB 3.41Å; S107-R110 PolarHBondContact O-N 2.86Å; S107-E111 WeakPolarHBondContact O-CG 3.34Å; S107-E111 PolarHBondContact O-N 3.02Å; S107-N118 PolarHBondContact OG-ND2 2.96Å; S107-T121 WeakPolarHBondContact OG-CB 3.28Å; S107-T121 WeakPolarHBondContact OG-CG2 3.3Å
108Q90.3Very high91.3Very high90 Ų9083.5 Ų83.542%0.42141%0.413SS..Hα-helixtrans-58.5-36.7178.2-168.5-177.932.600112.3M104 R112M104-Q108 WeakPolarHBondContact O-CB 3.31Å; M104-Q108 PolarHBondContact O-N 2.89Å; Q108-R112 VanDerWaalsContact O-CG 3.31Å; Q108-R112 WeakPolarHBondContact O-CG 3.47Å; Q108-R112 PolarHBondContact O-N 3.05Å
109Q88.3Confident91.3Very high141 Ų14182 Ų8266%0.65940%0.403SS*.Hα-helixtrans-64.8-38.7173.7-73.6177-14.500112.6A105 R106 S107 S113A105-Q109 WeakPolarHBondContact O-CG 3.34Å; A105-Q109 PolarHBondContact O-N 3.3Å; A105-Q109 VanDerWaalsContact O-N 3.17Å; R106-Q109 PolarHBondContact O-N 3.2Å; S107-Q109 PolarHBondContact O-N 3.21Å; Q109-S113 PolarHBondContact O-N 3.11Å
110R87.8Confident91.3Very high172 Ų17278 Ų7865%0.64939%0.388SS*.Hα-helixtrans-71.7-40.3178.2-67.2178.7-164.2-163.85.4112.4R106 S107 R112 S113 S114R106-R110 WeakPolarHBondContact O-CG 3.3Å; R106-R110 PolarHBondContact O-N 3.43Å; S107-R110 WeakPolarHBondContact O-CA 3.47Å; S107-R110 WeakPolarHBondContact O-CB 3.41Å; S107-R110 PolarHBondContact O-N 2.86Å; R110-R112 VanDerWaalsContact C-N 3.31Å; R110-R112 PolarHBondContact O-N 3.14Å; R110-S113 PolarHBondContact O-N 2.98Å; R110-S113 VanDerWaalsContact O-N 3.1Å; R110-S113 PolarHBondContact O-OG 3.25Å; R110-S114 PolarHBondContact O-N 3.42Å; R110-S114 PolarHBondContact O-OG 3.32Å; R110-S114 VanDerWaalsContact O-OG 3.09Å
111E88.3Confident91.3Very high30 Ų3077.6 Ų77.614%0.1439%0.387CS..Hα-helixtrans-63.2-39.9177.8-67.5-175.7156.200112S107 S113 S114 N115 T116 N118 H123S107-E111 WeakPolarHBondContact O-CG 3.34Å; S107-E111 PolarHBondContact O-N 3.02Å; E111-S113 PolarHBondContact O-N 3.39Å; E111-S114 PolarHBondContact O-N 2.95Å; E111-N115 WeakPolarHBondContact O-CA 3.39Å; E111-N115 PolarHBondContact O-N 2.63Å; E111-T116 WeakPolarHBondContact CG-O 3.5Å; E111-N118 HydrophobicContact CG-CB 4.02Å; E111-N118 WeakPolarHBondContact OE1-CA 3.38Å; E111-N118 WeakPolarHBondContact OE1-CB 3.4Å; E111-N118 PolarHBondContact OE1-N 2.99Å; E111-H123 IonicContact OE1-CE1 4Å; E111-H123 PolarHBondContact OE1-CE1 3.47Å; E111-H123 IonicContact OE1-NE2 2.8Å; E111-H123 IonicContact OE2-CE1 3.31Å
112R83.8Confident91.4Very high175 Ų17574.2 Ų74.266%0.6637%0.372SS*.Hα-helixtrans-62.4-27174.6-72.9177.2-174-176.36.1113Q108 R110Q108-R112 VanDerWaalsContact O-CG 3.31Å; Q108-R112 WeakPolarHBondContact O-CG 3.47Å; Q108-R112 PolarHBondContact O-N 3.05Å; R110-R112 VanDerWaalsContact C-N 3.31Å; R110-R112 PolarHBondContact O-N 3.14Å
113S80.1Confident91.5Very high97 Ų9770 Ų7068%0.67835%0.352SS*.Hα-helixtrans-90.9-32.9178.466.50000113.2Q109 R110 E111Q109-S113 PolarHBondContact O-N 3.11Å; R110-S113 PolarHBondContact O-N 2.98Å; R110-S113 VanDerWaalsContact O-N 3.1Å; R110-S113 PolarHBondContact O-OG 3.25Å; E111-S113 PolarHBondContact O-N 3.39Å
114S83.8Confident91.7Very high63 Ų6368.9 Ų68.944%0.44135%0.349SS..Hα-helixtrans-90.6-14-179.4670000114.4R110 E111 T116R110-S114 PolarHBondContact O-N 3.42Å; R110-S114 PolarHBondContact O-OG 3.32Å; R110-S114 VanDerWaalsContact O-OG 3.09Å; E111-S114 PolarHBondContact O-N 2.95Å; S114-T116 PolarHBondContact O-N 3.37Å; S114-T116 VanDerWaalsContact O-N 3.13Å; S114-T116 PolarHBondContact O-OG1 3.27Å; S114-T116 VanDerWaalsContact O-OG1 3.09Å; S114-T116 PolarHBondContact OG-N 3.03Å
115N82.6Confident91.8Very high151 Ų15167.6 Ų67.681%0.80734%0.343SS*.  trans49.631.3-169-68.2-31.8000113E111E111-N115 WeakPolarHBondContact O-CA 3.39Å; E111-N115 PolarHBondContact O-N 2.63Å
116T88.8Confident92Very high91 Ų9168.6 Ų68.656%0.55835%0.351SS*.  trans-125.7132.7-179.1-520000109.3E111 S114E111-T116 WeakPolarHBondContact CG-O 3.5Å; S114-T116 PolarHBondContact O-N 3.37Å; S114-T116 VanDerWaalsContact O-N 3.13Å; S114-T116 PolarHBondContact O-OG1 3.27Å; S114-T116 VanDerWaalsContact O-OG1 3.09Å; S114-T116 PolarHBondContact OG-N 3.03Å
117F94.6Very high92.3Very high37 Ų3764.1 Ų64.116%0.16234%0.34CS..  trans-69.4129.1176.1-167.6-87.5000111.2Y119 H123 E131 L190F117-Y119 HydrophobicContact CB-CE2 4.36Å; F117-Y119 AromaticContact CD1-CD1 3.99Å; F117-Y119 HydrophobicContact CD1-CD1 3.99Å; F117-Y119 AromaticContact CD1-CD2 3.8Å; F117-Y119 HydrophobicContact CD1-CD2 3.8Å; F117-Y119 AromaticContact CD1-CE1 3.92Å; F117-Y119 HydrophobicContact CD1-CE1 3.92Å; F117-Y119 AromaticContact CD1-CE2 3.67Å; F117-Y119 HydrophobicContact CD1-CE2 3.67Å; F117-Y119 AromaticContact CD1-CG 3.94Å; F117-Y119 HydrophobicContact CD1-CG 3.94Å; F117-Y119 AromaticContact CD1-CZ 3.74Å; F117-Y119 AromaticContact CE1-CD1 3.91Å; F117-Y119 HydrophobicContact CE1-CD1 3.91Å; F117-Y119 HydrophobicContact CE1-CD2 4.48Å; F117-Y119 HydrophobicContact CE1-CE1 4.02Å; F117-Y119 HydrophobicContact CE1-CG 4.16Å; F117-Y119 HydrophobicContact CG-CE2 4.45Å; F117-H123 AromaticContact CE1-CD2 3.77Å; F117-H123 AromaticContact CE1-NE2 3.46Å; F117-H123 WeakPolarHBondContact CE1-NE2 3.46Å; F117-H123 AromaticContact CE2-CE1 3.8Å; F117-H123 AromaticContact CE2-ND1 3.96Å; F117-H123 AromaticContact CE2-NE2 3.95Å; F117-H123 AromaticContact CZ-CD2 3.31Å; F117-H123 WeakPolarHBondContact CZ-CD2 3.36Å; F117-H123 AromaticContact CZ-CE1 3.57Å; F117-H123 AromaticContact CZ-CG 3.64Å; F117-H123 AromaticContact CZ-ND1 3.82Å; F117-H123 AromaticContact CZ-NE2 3.24Å; F117-H123 WeakPolarHBondContact CZ-NE2 3.34Å; F117-E131 HydrophobicContact CD1-CG 3.99Å; F117-E131 HydrophobicContact CD2-CB 3.79Å; F117-E131 HydrophobicContact CD2-CG 3.79Å; F117-E131 HydrophobicContact CE1-CG 4.09Å; F117-E131 HydrophobicContact CE2-CB 3.6Å; F117-E131 HydrophobicContact CE2-CG 3.89Å; F117-E131 HydrophobicContact CG-CB 4.37Å; F117-E131 HydrophobicContact CG-CG 3.84Å; F117-E131 HydrophobicContact CZ-CB 4.03Å; F117-E131 HydrophobicContact CZ-CG 4.04Å; F117-L190 HydrophobicContact CE1-CD2 3.57Å; F117-L190 HydrophobicContact CE1-CG 4.33Å; F117-L190 HydrophobicContact CE2-CD2 4.39Å; F117-L190 HydrophobicContact CZ-CD2 3.34Å; F117-L190 HydrophobicContact CZ-CG 4.48Å
118N96.4Very high92.6Very high61 Ų6163.8 Ų63.833%0.32634%0.337SS..  trans-98103.2178.2-179.313.3000110.7S107 E111 G120 T121 H123S107-N118 PolarHBondContact OG-ND2 2.96Å; E111-N118 HydrophobicContact CG-CB 4.02Å; E111-N118 WeakPolarHBondContact OE1-CA 3.38Å; E111-N118 WeakPolarHBondContact OE1-CB 3.4Å; E111-N118 PolarHBondContact OE1-N 2.99Å; N118-G120 PolarHBondContact O-N 3.13Å; N118-G120 WeakPolarHBondContact OD1-CA 3.42Å; N118-G120 PolarHBondContact OD1-N 3.02Å; N118-T121 HydrophobicContact CB-CG2 4.43Å; N118-H123 PolarHBondContact O-NE2 3.4Å
119Y97.3Very high93Very high37 Ų3761 Ų6115%0.14532%0.323CS..THydrogen-bonded Turntrans-71.2-7.5176.2-64.7-92.9000114.3F117 E131 L190 W191 K194 I396F117-Y119 HydrophobicContact CB-CE2 4.36Å; F117-Y119 AromaticContact CD1-CD1 3.99Å; F117-Y119 HydrophobicContact CD1-CD1 3.99Å; F117-Y119 AromaticContact CD1-CD2 3.8Å; F117-Y119 HydrophobicContact CD1-CD2 3.8Å; F117-Y119 AromaticContact CD1-CE1 3.92Å; F117-Y119 HydrophobicContact CD1-CE1 3.92Å; F117-Y119 AromaticContact CD1-CE2 3.67Å; F117-Y119 HydrophobicContact CD1-CE2 3.67Å; F117-Y119 AromaticContact CD1-CG 3.94Å; F117-Y119 HydrophobicContact CD1-CG 3.94Å; F117-Y119 AromaticContact CD1-CZ 3.74Å; F117-Y119 AromaticContact CE1-CD1 3.91Å; F117-Y119 HydrophobicContact CE1-CD1 3.91Å; F117-Y119 HydrophobicContact CE1-CD2 4.48Å; F117-Y119 HydrophobicContact CE1-CE1 4.02Å; F117-Y119 HydrophobicContact CE1-CG 4.16Å; F117-Y119 HydrophobicContact CG-CE2 4.45Å; Y119-E131 PolarHBondContact OH-OE1 3.35Å; Y119-L190 HydrophobicContact CD1-CG 4.29Å; Y119-L190 HydrophobicContact CE1-CG 4.01Å; Y119-L190 WeakPolarHBondContact CE1-O 3.47Å; Y119-W191 HydrophobicContact CD1-CB 4.18Å; Y119-K194 HydrophobicContact CD1-CB 4.48Å; Y119-K194 HydrophobicContact CE1-CB 3.63Å; Y119-K194 HydrophobicContact CE1-CG 4.28Å; Y119-K194 HydrophobicContact CE2-CB 4.3Å; Y119-K194 HydrophobicContact CE2-CG 4.03Å; Y119-K194 WeakPolarHBondContact OH-CB 3.47Å; Y119-K194 WeakPolarHBondContact OH-CD 3.31Å; Y119-K194 WeakPolarHBondContact OH-CG 3.47Å; Y119-I396 VanDerWaalsContact O-CG2 3.27Å; Y119-I396 WeakPolarHBondContact O-CG2 3.15Å
120G96.9Very high93.5Very high17 Ų1756.6 Ų56.618%0.17531%0.311CS..THydrogen-bonded Turntrans-93.425.1177.400000114.4N118N118-G120 PolarHBondContact O-N 3.13Å; N118-G120 WeakPolarHBondContact OD1-CA 3.42Å; N118-G120 PolarHBondContact OD1-N 3.02Å
121T96.9Very high94Very high7 Ų748.9 Ų48.94%0.04328%0.282CS..SBendtrans-141.8166.3174.9-159.80000111.7S107 N118 H123S107-T121 WeakPolarHBondContact OG-CB 3.28Å; S107-T121 WeakPolarHBondContact OG-CG2 3.3Å; N118-T121 HydrophobicContact CB-CG2 4.43Å; T121-H123 VanDerWaalsContact CG2-CE1 3.4Å; T121-H123 WeakPolarHBondContact CG2-CE1 3.49Å; T121-H123 VanDerWaalsContact CG2-NE2 3.29Å; T121-H123 WeakPolarHBondContact CG2-NE2 3.48Å; T121-H123 PolarHBondContact O-CD2 2.87Å; T121-H123 VanDerWaalsContact O-CD2 3.24Å
122Y98.5Very high94.5Very high7 Ų747.5 Ų47.53%0.02728%0.276CS..  trans-84.6143.9171.8-65.5-57.9000111.4E100 W183 A187 L391 I396E100-Y122 HydrophobicContact CG-CD2 4.2Å; Y122-W183 HydrophobicContact CD1-CB 3.8Å; Y122-W183 HydrophobicContact CD1-CE3 4.21Å; Y122-W183 AromaticContact CD2-CE3 3.86Å; Y122-W183 HydrophobicContact CD2-CE3 3.86Å; Y122-W183 HydrophobicContact CD2-CZ3 4.47Å; Y122-W183 VanDerWaalsContact CE1-C 3.5Å; Y122-W183 HydrophobicContact CE1-CB 3.66Å; Y122-W183 WeakPolarHBondContact CE1-O 3.39Å; Y122-W183 HydrophobicContact CG-CB 4.42Å; Y122-W183 AromaticContact CG-CE3 3.69Å; Y122-W183 HydrophobicContact CG-CE3 3.69Å; Y122-W183 HydrophobicContact CG-CZ3 4.4Å; Y122-A187 HydrophobicContact CD1-CB 3.92Å; Y122-A187 HydrophobicContact CE1-CB 3.9Å; Y122-L391 VanDerWaalsContact CE2-O 3.3Å; Y122-L391 WeakPolarHBondContact CE2-O 3.49Å; Y122-L391 PolarHBondContact OH-O 2.81Å; Y122-I396 HydrophobicContact CD1-CD1 3.74Å; Y122-I396 HydrophobicContact CD1-CG1 4.48Å; Y122-I396 HydrophobicContact CD2-CD1 4.25Å; Y122-I396 HydrophobicContact CE1-CD1 3.6Å; Y122-I396 HydrophobicContact CE1-CG1 3.86Å; Y122-I396 HydrophobicContact CE2-CD1 4.15Å; Y122-I396 HydrophobicContact CG-CD1 4.06Å
123H98.4Very high95.2Very high12 Ų1242.8 Ų42.86%0.05626%0.264CS..  trans-123.3147.2-167.8-77.5-66.8000112.4E111 F117 N118 T121 I128 Y226 H230E111-H123 IonicContact OE1-CE1 4Å; E111-H123 PolarHBondContact OE1-CE1 3.47Å; E111-H123 IonicContact OE1-NE2 2.8Å; E111-H123 IonicContact OE2-CE1 3.31Å; F117-H123 AromaticContact CE1-CD2 3.77Å; F117-H123 AromaticContact CE1-NE2 3.46Å; F117-H123 WeakPolarHBondContact CE1-NE2 3.46Å; F117-H123 AromaticContact CE2-CE1 3.8Å; F117-H123 AromaticContact CE2-ND1 3.96Å; F117-H123 AromaticContact CE2-NE2 3.95Å; F117-H123 AromaticContact CZ-CD2 3.31Å; F117-H123 WeakPolarHBondContact CZ-CD2 3.36Å; F117-H123 AromaticContact CZ-CE1 3.57Å; F117-H123 AromaticContact CZ-CG 3.64Å; F117-H123 AromaticContact CZ-ND1 3.82Å; F117-H123 AromaticContact CZ-NE2 3.24Å; F117-H123 WeakPolarHBondContact CZ-NE2 3.34Å; N118-H123 PolarHBondContact O-NE2 3.4Å; T121-H123 VanDerWaalsContact CG2-CE1 3.4Å; T121-H123 WeakPolarHBondContact CG2-CE1 3.49Å; T121-H123 VanDerWaalsContact CG2-NE2 3.29Å; T121-H123 WeakPolarHBondContact CG2-NE2 3.48Å; T121-H123 PolarHBondContact O-CD2 2.87Å; T121-H123 VanDerWaalsContact O-CD2 3.24Å; H123-I128 HydrophobicContact CB-CD1 4.29Å; H123-I128 HydrophobicContact CB-CG1 3.69Å; H123-Y226 WeakPolarHBondContact O-CE1 3.03Å; H123-Y226 PolarHBondContact O-OH 3.33Å; H123-H230 PolarHBondContact O-CE1 2.95Å; H123-H230 PolarHBondContact O-NE2 3.24Å
124S98.4Very high96.1Very high39 Ų3941.8 Ų41.827%0.27325%0.251SS..  trans-65157.8167.7750000110.6A126 S127 I128S124-A126 PolarHBondContact O-N 3.21Å; S124-S127 WeakPolarHBondContact O-CB 3.45Å; S124-S127 PolarHBondContact O-N 3.32Å; S124-S127 VanDerWaalsContact O-N 3.11Å; S124-S127 PolarHBondContact OG-N 2.91Å; S124-S127 VanDerWaalsContact OG-N 3.14Å; S124-S127 PolarHBondContact OG-OG 3.48Å; S124-I128 WeakPolarHBondContact O-CG1 3.44Å; S124-I128 PolarHBondContact O-N 3.27Å
125L98.8Very high96.7Very high7 Ų738.8 Ų38.84%0.03723%0.23CC..Hα-helixtrans-55.3-41.2175.9-175.561.9000112.1I128 Y129 R155 V220 P223 Y226 E227L125-I128 PolarHBondContact O-N 3.13Å; L125-Y129 HydrophobicContact CD1-CD1 4.07Å; L125-Y129 HydrophobicContact CD1-CE1 3.5Å; L125-Y129 VanDerWaalsContact CD1-CE1 3.5Å; L125-Y129 HydrophobicContact CD1-CE2 4.25Å; L125-Y129 HydrophobicContact CD2-CE2 4.38Å; L125-Y129 HydrophobicContact CG-CE1 4.23Å; L125-Y129 HydrophobicContact CG-CE2 4.16Å; L125-Y129 PolarHBondContact O-N 3.48Å; L125-R155 VanDerWaalsContact CD2-CD 3.48Å; L125-V220 HydrophobicContact CD1-CB 4.19Å; L125-V220 HydrophobicContact CD1-CG1 3.95Å; L125-V220 HydrophobicContact CD1-CG2 4.03Å; L125-P223 HydrophobicContact CD1-CB 4.18Å; L125-P223 HydrophobicContact CD2-CB 3.91Å; L125-Y226 HydrophobicContact CB-CD1 4.15Å; L125-Y226 HydrophobicContact CD1-CD1 4.18Å; L125-E227 WeakPolarHBondContact CB-OE2 3.4Å; L125-E227 HydrophobicContact CD2-CB 4.42Å
126A98.4Very high97.5Very high70 Ų7032.4 Ų32.458%0.57920%0.198SC*.Hα-helixtrans-63-42.4178.200000112.3S124 Y129 A130S124-A126 PolarHBondContact O-N 3.21Å; A126-Y129 PolarHBondContact O-N 2.87Å; A126-A130 WeakPolarHBondContact O-CB 3.47Å; A126-A130 PolarHBondContact O-N 3.42Å
127S98Very high97.9Very high34 Ų3431.5 Ų31.524%0.23820%0.2CC..Hα-helixtrans-62.5-43.4175.6-60.70000111.5S124 A130 E131S124-S127 WeakPolarHBondContact O-CB 3.45Å; S124-S127 PolarHBondContact O-N 3.32Å; S124-S127 VanDerWaalsContact O-N 3.11Å; S124-S127 PolarHBondContact OG-N 2.91Å; S124-S127 VanDerWaalsContact OG-N 3.14Å; S124-S127 PolarHBondContact OG-OG 3.48Å; S127-A130 PolarHBondContact O-N 3Å; S127-E131 PolarHBondContact O-N 3.04Å
128I98.8Very high98.1Very high2 Ų235.8 Ų35.81%0.0122%0.221CC..Hα-helixtrans-60.8-49.7176.5-64175.1000109.8H123 S124 L125 A130 E131 L132 Q186 L190 V219 V220 Y226H123-I128 HydrophobicContact CB-CD1 4.29Å; H123-I128 HydrophobicContact CB-CG1 3.69Å; S124-I128 WeakPolarHBondContact O-CG1 3.44Å; S124-I128 PolarHBondContact O-N 3.27Å; L125-I128 PolarHBondContact O-N 3.13Å; I128-A130 VanDerWaalsContact C-N 3.35Å; I128-A130 PolarHBondContact O-N 3.02Å; I128-E131 PolarHBondContact O-N 3.45Å; I128-E131 VanDerWaalsContact O-N 3.08Å; I128-L132 HydrophobicContact CG2-CG 4.44Å; I128-L132 WeakPolarHBondContact O-CG 3.46Å; I128-L132 PolarHBondContact O-N 3.22Å; I128-Q186 HydrophobicContact CD1-CB 4.36Å; I128-L190 HydrophobicContact CG1-CD2 4.17Å; I128-L190 HydrophobicContact CG2-CD2 4.33Å; I128-V219 HydrophobicContact CG2-CB 4.5Å; I128-V219 HydrophobicContact CG2-CG1 3.79Å; I128-V220 HydrophobicContact CD1-CG2 4.03Å; I128-V220 HydrophobicContact CG2-CG2 4.03Å; I128-Y226 HydrophobicContact CD1-CE1 3.67Å
129Y98.8Very high98.2Very high30 Ų3034.9 Ų34.912%0.11821%0.214CC..Hα-helixtrans-63.1-39.1-178.3-76.15.5000113.1L125 A126 E131 L132 D133 P156 Y158 P223L125-Y129 HydrophobicContact CD1-CD1 4.07Å; L125-Y129 HydrophobicContact CD1-CE1 3.5Å; L125-Y129 VanDerWaalsContact CD1-CE1 3.5Å; L125-Y129 HydrophobicContact CD1-CE2 4.25Å; L125-Y129 HydrophobicContact CD2-CE2 4.38Å; L125-Y129 HydrophobicContact CG-CE1 4.23Å; L125-Y129 HydrophobicContact CG-CE2 4.16Å; L125-Y129 PolarHBondContact O-N 3.48Å; A126-Y129 PolarHBondContact O-N 2.87Å; Y129-E131 VanDerWaalsContact C-N 3.29Å; Y129-E131 PolarHBondContact O-N 3.31Å; Y129-L132 HydrophobicContact CD1-CD1 4.25Å; Y129-L132 PolarHBondContact O-N 3.29Å; Y129-D133 PolarHBondContact O-N 3.24Å; Y129-D133 VanDerWaalsContact O-N 3.16Å; Y129-P156 HydrophobicContact CE2-CG 3.94Å; Y129-P156 PolarHBondContact OH-O 3.36Å; Y129-Y158 AromaticContact CD1-CD2 3.95Å; Y129-Y158 HydrophobicContact CD1-CD2 3.95Å; Y129-Y158 AromaticContact CD2-CD2 3.73Å; Y129-Y158 HydrophobicContact CD2-CD2 3.73Å; Y129-Y158 AromaticContact CD2-CE2 3.6Å; Y129-Y158 HydrophobicContact CD2-CE2 3.6Å; Y129-Y158 AromaticContact CE1-CD2 4Å; Y129-Y158 HydrophobicContact CE1-CD2 4Å; Y129-Y158 AromaticContact CE2-CD2 3.78Å; Y129-Y158 HydrophobicContact CE2-CD2 3.78Å; Y129-Y158 AromaticContact CE2-CE2 3.82Å; Y129-Y158 HydrophobicContact CE2-CE2 3.82Å; Y129-Y158 AromaticContact CG-CD2 3.82Å; Y129-Y158 HydrophobicContact CG-CD2 3.82Å; Y129-Y158 HydrophobicContact CG-CE2 4.04Å; Y129-Y158 AromaticContact CZ-CD2 3.92Å; Y129-P223 WeakPolarHBondContact OH-CB 3.4Å
130A98.3Very high98.2Very high49 Ų4937.6 Ų37.641%0.40524%0.239SC..Hα-helixtrans-61.6-39.3173.100000111.6A126 S127 I128 D133 N134A126-A130 WeakPolarHBondContact O-CB 3.47Å; A126-A130 PolarHBondContact O-N 3.42Å; S127-A130 PolarHBondContact O-N 3Å; I128-A130 VanDerWaalsContact C-N 3.35Å; I128-A130 PolarHBondContact O-N 3.02Å; A130-D133 WeakPolarHBondContact O-CB 3.38Å; A130-D133 PolarHBondContact O-N 2.94Å; A130-N134 VanDerWaalsContact O-CG 3.31Å; A130-N134 PolarHBondContact O-N 2.89Å; A130-N134 PolarHBondContact O-ND2 3.06Å
131E98.2Very high98.1Very high11 Ų1140.1 Ų40.15%0.05126%0.264CS..Hα-helixtrans-71.1-32.3177.2-17261-176.100113F117 Y119 S127 I128 Y129 D133 N134 L135 L190F117-E131 HydrophobicContact CD1-CG 3.99Å; F117-E131 HydrophobicContact CD2-CB 3.79Å; F117-E131 HydrophobicContact CD2-CG 3.79Å; F117-E131 HydrophobicContact CE1-CG 4.09Å; F117-E131 HydrophobicContact CE2-CB 3.6Å; F117-E131 HydrophobicContact CE2-CG 3.89Å; F117-E131 HydrophobicContact CG-CB 4.37Å; F117-E131 HydrophobicContact CG-CG 3.84Å; F117-E131 HydrophobicContact CZ-CB 4.03Å; F117-E131 HydrophobicContact CZ-CG 4.04Å; Y119-E131 PolarHBondContact OH-OE1 3.35Å; S127-E131 PolarHBondContact O-N 3.04Å; I128-E131 PolarHBondContact O-N 3.45Å; I128-E131 VanDerWaalsContact O-N 3.08Å; Y129-E131 VanDerWaalsContact C-N 3.29Å; Y129-E131 PolarHBondContact O-N 3.31Å; E131-D133 VanDerWaalsContact C-N 3.26Å; E131-D133 PolarHBondContact O-N 3.29Å; E131-N134 PolarHBondContact O-N 3.28Å; E131-N134 PolarHBondContact OE2-ND2 2.79Å; E131-L135 WeakPolarHBondContact O-CB 3.33Å; E131-L135 WeakPolarHBondContact O-CG 3.45Å; E131-L135 PolarHBondContact O-N 2.73Å; E131-L190 HydrophobicContact CB-CD1 4.33Å; E131-L190 HydrophobicContact CB-CD2 4.43Å; E131-L190 HydrophobicContact CG-CD1 4.05Å; E131-L190 HydrophobicContact CG-CD2 4.37Å; E131-L190 HydrophobicContact CG-CG 4.47Å
132L98.7Very high98.2Very high1 Ų140.9 Ų40.91%0.00527%0.268CS..Hα-helixtrans-61.4-37.3170.3-56.8-172.7000111.6I128 Y129 A136 K145 L160 L190 V219I128-L132 HydrophobicContact CG2-CG 4.44Å; I128-L132 WeakPolarHBondContact O-CG 3.46Å; I128-L132 PolarHBondContact O-N 3.22Å; Y129-L132 HydrophobicContact CD1-CD1 4.25Å; Y129-L132 PolarHBondContact O-N 3.29Å; L132-A136 WeakPolarHBondContact O-CB 3.24Å; L132-A136 PolarHBondContact O-N 3.12Å; L132-A136 VanDerWaalsContact O-N 3.16Å; L132-K145 HydrophobicContact CB-CD 4.03Å; L132-L160 HydrophobicContact CB-CD2 4.19Å; L132-L160 HydrophobicContact CD2-CD1 3.71Å; L132-L160 HydrophobicContact CD2-CG 4.08Å; L132-L190 HydrophobicContact CD2-CD1 3.71Å; L132-V219 HydrophobicContact CD2-CB 4.41Å; L132-V219 HydrophobicContact CD2-CG2 3.84Å
133D98.5Very high98.2Very high75 Ų7540.8 Ų40.840%0.40127%0.268SS..Hα-helixtrans-66.5-44.9173.7-76.8-44.4000111.9Y129 A130 E131 A136 A137 K145Y129-D133 PolarHBondContact O-N 3.24Å; Y129-D133 VanDerWaalsContact O-N 3.16Å; A130-D133 WeakPolarHBondContact O-CB 3.38Å; A130-D133 PolarHBondContact O-N 2.94Å; E131-D133 VanDerWaalsContact C-N 3.26Å; E131-D133 PolarHBondContact O-N 3.29Å; D133-A136 PolarHBondContact O-N 3.01Å; D133-A137 WeakPolarHBondContact O-CB 3.46Å; D133-A137 PolarHBondContact O-N 3.22Å; D133-K145 WeakPolarHBondContact OD1-CE 3.21Å; D133-K145 IonicContact OD1-NZ 2.77Å; D133-K145 PolarHBondContact OD1-NZ 2.98Å; D133-K145 IonicContact OD2-NZ 3.68Å; D133-K145 PolarHBondContact OD2-NZ 2.84Å
134N98.1Very high98.2Very high76 Ų7642.5 Ų42.541%0.40628%0.281SS..Hα-helixtrans-59.4-48.5176.8-66-23.8000111.5A130 E131 A136 A137 E138A130-N134 VanDerWaalsContact O-CG 3.31Å; A130-N134 PolarHBondContact O-N 2.89Å; A130-N134 PolarHBondContact O-ND2 3.06Å; E131-N134 PolarHBondContact O-N 3.28Å; E131-N134 PolarHBondContact OE2-ND2 2.79Å; N134-A136 VanDerWaalsContact C-N 3.33Å; N134-A136 PolarHBondContact O-N 3.39Å; N134-A137 PolarHBondContact O-N 3.31Å; N134-A137 VanDerWaalsContact O-N 3.14Å; N134-E138 WeakPolarHBondContact O-CB 3.29Å; N134-E138 WeakPolarHBondContact O-CG 3.44Å; N134-E138 PolarHBondContact O-N 3.45Å
135L98.3Very high98.2Very high0 Ų043.1 Ų43.10%028%0.279CS..Hα-helixtrans-59.1-42.8178.2-74.1173.9000112.4E131 A137 H139 L160 L190 A193 K194E131-L135 WeakPolarHBondContact O-CB 3.33Å; E131-L135 WeakPolarHBondContact O-CG 3.45Å; E131-L135 PolarHBondContact O-N 2.73Å; L135-A137 VanDerWaalsContact C-N 3.34Å; L135-H139 WeakPolarHBondContact O-CB 3.43Å; L135-H139 PolarHBondContact O-N 3.33Å; L135-H139 VanDerWaalsContact O-N 3.1Å; L135-L160 HydrophobicContact CD1-CD1 4.11Å; L135-L190 HydrophobicContact CD1-CD1 4.29Å; L135-A193 HydrophobicContact CD1-CB 3.81Å; L135-K194 HydrophobicContact CD2-CB 4.09Å; L135-K194 HydrophobicContact CD2-CD 3.43Å; L135-K194 VanDerWaalsContact CD2-CD 3.43Å; L135-K194 HydrophobicContact CD2-CG 4.35Å
136A98.4Very high98.2Very high17 Ų1745.6 Ų45.614%0.1429%0.292CS..Hα-helixtrans-67.9-33.6177.300000112.6L132 D133 N134 S140 V143 K145L132-A136 WeakPolarHBondContact O-CB 3.24Å; L132-A136 PolarHBondContact O-N 3.12Å; L132-A136 VanDerWaalsContact O-N 3.16Å; D133-A136 PolarHBondContact O-N 3.01Å; N134-A136 VanDerWaalsContact C-N 3.33Å; N134-A136 PolarHBondContact O-N 3.39Å; A136-S140 WeakPolarHBondContact O-CA 3.31Å; A136-S140 WeakPolarHBondContact O-CB 3.41Å; A136-S140 PolarHBondContact O-N 3.39Å; A136-V143 HydrophobicContact CB-CG1 4.18Å; A136-K145 HydrophobicContact CB-CB 4.34Å
137A98.1Very high98.2Very high73 Ų7347.1 Ų47.160%0.60329%0.287SS*.Hα-helixtrans-74.6-47.217700000112.3D133 N134 L135 H139D133-A137 WeakPolarHBondContact O-CB 3.46Å; D133-A137 PolarHBondContact O-N 3.22Å; N134-A137 PolarHBondContact O-N 3.31Å; N134-A137 VanDerWaalsContact O-N 3.14Å; L135-A137 VanDerWaalsContact C-N 3.34Å; A137-H139 VanDerWaalsContact C-N 3.33Å; A137-H139 PolarHBondContact O-N 3.03Å
138E97.8Very high98.2Very high127 Ų12747.1 Ų47.159%0.59328%0.284SS*.Hα-helixtrans-65.9-35.1-179.1-73.2-174.9172.500112.5N134 K194N134-E138 WeakPolarHBondContact O-CB 3.29Å; N134-E138 WeakPolarHBondContact O-CG 3.44Å; N134-E138 PolarHBondContact O-N 3.45Å; E138-K194 IonicContact OE2-NZ 2.61Å; E138-K194 PolarHBondContact OE2-NZ 3.4Å; E138-K194 VanDerWaalsContact OE2-NZ 3.17Å
139H97.9Very high98.2Very high42 Ų4248 Ų4819%0.19429%0.293CS..THydrogen-bonded Turntrans-117.238-175.6-60.1-92000112.1L135 A137 G141 I142 V143 K194 A197L135-H139 WeakPolarHBondContact O-CB 3.43Å; L135-H139 PolarHBondContact O-N 3.33Å; L135-H139 VanDerWaalsContact O-N 3.1Å; A137-H139 VanDerWaalsContact C-N 3.33Å; A137-H139 PolarHBondContact O-N 3.03Å; H139-G141 PolarHBondContact O-N 2.91Å; H139-I142 HydrophobicContact CB-CG1 4.26Å; H139-I142 PolarHBondContact O-N 3.14Å; H139-V143 HydrophobicContact CB-CB 4.23Å; H139-V143 HydrophobicContact CB-CG2 3.67Å; H139-V143 PolarHBondContact O-N 2.68Å; H139-K194 PolarHBondContact NE2-NZ 2.91Å; H139-K194 VanDerWaalsContact NE2-NZ 3.15Å; H139-A197 HydrophobicContact CB-CB 4.2Å; H139-A197 PolarHBondContact CE1-O 3.25Å; H139-A197 PolarHBondContact ND1-O 2.52Å; H139-A197 VanDerWaalsContact ND1-O 3.14Å
140S97.3Very high98.2Very high94 Ų9450.8 Ų50.866%0.65731%0.308SS*.THydrogen-bonded Turntrans-59.3-16.3-171.571.60000115.6A136 I142A136-S140 WeakPolarHBondContact O-CA 3.31Å; A136-S140 WeakPolarHBondContact O-CB 3.41Å; A136-S140 PolarHBondContact O-N 3.39Å; S140-I142 VanDerWaalsContact C-N 3.32Å
141G96.2Very high98.2Very high69 Ų6948.5 Ų48.571%0.71129%0.289SS*.THydrogen-bonded Turntrans-73.1-21.7174.500000114H139H139-G141 PolarHBondContact O-N 2.91Å
142I97.6Very high98.3Very high23 Ų2352.2 Ų52.212%0.11830%0.303CS..THydrogen-bonded Turntrans-134-20-176.965.4177.8000114.1H139 S140 F162 S163 T164 Y200H139-I142 HydrophobicContact CB-CG1 4.26Å; H139-I142 PolarHBondContact O-N 3.14Å; S140-I142 VanDerWaalsContact C-N 3.32Å; I142-F162 CarbonylContact O-C 3.6Å; I142-F162 VanDerWaalsContact O-CA 3.24Å; I142-F162 WeakPolarHBondContact O-CA 3.28Å; I142-S163 WeakPolarHBondContact CA-O 3.25Å; I142-S163 PolarHBondContact O-N 3.26Å; I142-T164 HydrophobicContact CG2-CG2 4.41Å; I142-Y200 VanDerWaalsContact CD1-CB 3.47Å; I142-Y200 HydrophobicContact CD1-CD1 3.63Å; I142-Y200 HydrophobicContact CD1-CG 3.71Å; I142-Y200 HydrophobicContact CG2-CD1 3.68Å; I142-Y200 HydrophobicContact CG2-CE1 3.66Å; I142-Y200 HydrophobicContact CG2-CG 4.41Å
143V98.7Very high98.3Very high5 Ų556.1 Ų56.13%0.0332%0.321CS..EExtended strand (participates in β ladder)trans-109.8134.2-178.6-172.70000110.3A136 H139 L160 K161 F162 A197A136-V143 HydrophobicContact CB-CG1 4.18Å; H139-V143 HydrophobicContact CB-CB 4.23Å; H139-V143 HydrophobicContact CB-CG2 3.67Å; H139-V143 PolarHBondContact O-N 2.68Å; V143-L160 HydrophobicContact CG1-CD2 3.95Å; V143-K161 CarbonylContact C-O 3.5Å; V143-K161 WeakPolarHBondContact CA-O 3.32Å; V143-F162 HydrophobicContact CG1-CE1 4.3Å; V143-F162 HydrophobicContact CG2-CD1 3.66Å; V143-F162 HydrophobicContact CG2-CE1 3.7Å; V143-A197 HydrophobicContact CG2-CB 3.94Å
144S98.5Very high98.3Very high48 Ų4859.5 Ų59.534%0.33633%0.332SS..EExtended strand (participates in β ladder)trans-137.8146.5168.955.80000111L160 K161S144-L160 WeakPolarHBondContact O-CA 3.28Å; S144-K161 PolarHBondContact N-O 2.96Å; S144-K161 PolarHBondContact O-N 2.71Å
145K98.5Very high98.3Very high52 Ų5258.8 Ų58.823%0.22632%0.324CS..EExtended strand (participates in β ladder)trans-97.1126176.4-165.1177.876.8169.60110.1L132 D133 A136 Y158 L160L132-K145 HydrophobicContact CB-CD 4.03Å; D133-K145 WeakPolarHBondContact OD1-CE 3.21Å; D133-K145 IonicContact OD1-NZ 2.77Å; D133-K145 PolarHBondContact OD1-NZ 2.98Å; D133-K145 IonicContact OD2-NZ 3.68Å; D133-K145 PolarHBondContact OD2-NZ 2.84Å; A136-K145 HydrophobicContact CB-CB 4.34Å; K145-Y158 HydrophobicContact CD-CD1 4Å; K145-Y158 HydrophobicContact CD-CD2 4.36Å; K145-Y158 HydrophobicContact CD-CE1 4.48Å; K145-Y158 HydrophobicContact CD-CG 3.95Å; K145-Y158 HydrophobicContact CG-CD1 4.08Å; K145-Y158 HydrophobicContact CG-CG 4.25Å; K145-L160 HydrophobicContact CB-CD2 4.12Å; K145-L160 HydrophobicContact CG-CD2 4.23Å
146L98.4Very high98.3Very high60 Ų6060 Ų6031%0.31433%0.332SS..EExtended strand (participates in β ladder)trans-115.6139.9179-56176.9000109.5Y158 V159 K161 F216L146-Y158 CarbonylContact O-C 3.5Å; L146-Y158 WeakPolarHBondContact O-CA 3.48Å; L146-V159 HydrophobicContact CB-CB 4.49Å; L146-V159 PolarHBondContact N-O 3.02Å; L146-V159 PolarHBondContact O-N 3.35Å; L146-K161 HydrophobicContact CD1-CB 3.89Å; L146-K161 HydrophobicContact CD1-CD 4.31Å; L146-K161 HydrophobicContact CG-CB 4.34Å; L146-F216 HydrophobicContact CD1-CD1 4.37Å; L146-F216 HydrophobicContact CD1-CE1 3.92Å
147Q98.7Very high98.4Very high102 Ų10259.2 Ų59.248%0.47733%0.326SS..EExtended strand (participates in β ladder)trans-97.8120.1166.2-175.1178-13.600108.9G149 P156 L157 Y158Q147-G149 WeakPolarHBondContact CG-O 3.5Å; Q147-G149 PolarHBondContact NE2-O 2.68Å; Q147-P156 HydrophobicContact CG-CB 4.06Å; Q147-L157 WeakPolarHBondContact CA-O 3.41Å; Q147-Y158 HydrophobicContact CB-CD1 4.14Å; Q147-Y158 HydrophobicContact CB-CE1 4.08Å; Q147-Y158 HydrophobicContact CG-CE1 4.38Å
148I98.8Very high98.4Very high33 Ų3358.1 Ų58.117%0.16931%0.306CS..EExtended strand (participates in β ladder)trans-97.5-11.6-178.265.4163.7000113.4L157 V159 W173 L218 V289 F292I148-L157 HydrophobicContact CG1-CB 3.8Å; I148-L157 PolarHBondContact N-O 2.53Å; I148-V159 HydrophobicContact CB-CG2 4.44Å; I148-V159 HydrophobicContact CD1-CG2 3.84Å; I148-V159 HydrophobicContact CG1-CG2 4.01Å; I148-V159 HydrophobicContact CG2-CB 4.17Å; I148-V159 HydrophobicContact CG2-CG2 3.59Å; I148-W173 HydrophobicContact CD1-CH2 3.97Å; I148-L218 HydrophobicContact CD1-CD2 4.41Å; I148-V289 HydrophobicContact CD1-CG2 4.12Å; I148-F292 HydrophobicContact CB-CD2 4.26Å; I148-F292 HydrophobicContact CG2-CD2 3.48Å; I148-F292 VanDerWaalsContact CG2-CD2 3.48Å; I148-F292 HydrophobicContact CG2-CE2 3.93Å; I148-F292 HydrophobicContact CG2-CG 4.11Å
149G98.7Very high98.4Very high20 Ų2052.1 Ų52.121%0.20628%0.278CS..EExtended strand (participates in β ladder)trans171.7-162.7-178.400000111.8Q147 L157Q147-G149 WeakPolarHBondContact CG-O 3.5Å; Q147-G149 PolarHBondContact NE2-O 2.68Å; G149-L157 PolarHBondContact O-N 2.73Å
150E98.8Very high98.5Very high90 Ų9050.1 Ų50.142%0.42127%0.269SS..EExtended strand (participates in β ladder)trans-134.3148.4174.8-65.2179.2162.200109R155 V284E150-R155 CarbonylContact C-O 3.44Å; E150-R155 VanDerWaalsContact CA-O 3.27Å; E150-R155 WeakPolarHBondContact CA-O 3.34Å; E150-V284 WeakPolarHBondContact O-CG2 3.27Å
151S98.9Very high98.6Very high1 Ų147.8 Ų47.81%0.00725%0.247CC..  trans-70.8174.7171.369.80000112.3E153 K154 R155 D224 V284 E285S151-E153 VanDerWaalsContact C-N 3.31Å; S151-E153 PolarHBondContact O-N 2.75Å; S151-K154 PolarHBondContact O-N 2.98Å; S151-K154 PolarHBondContact OG-N 3.15Å; S151-R155 PolarHBondContact N-O 3.07Å; S151-R155 WeakPolarHBondContact OG-CA 3.39Å; S151-R155 WeakPolarHBondContact OG-CB 3.31Å; S151-R155 PolarHBondContact OG-N 3.19Å; S151-R155 PolarHBondContact OG-O 3.34Å; S151-D224 VanDerWaalsContact CB-CG 3.46Å; S151-D224 VanDerWaalsContact CB-OD1 3.24Å; S151-D224 WeakPolarHBondContact CB-OD1 3.42Å; S151-D224 VanDerWaalsContact CB-OD2 3.29Å; S151-D224 WeakPolarHBondContact CB-OD2 3.42Å; S151-D224 PolarHBondContact OG-OD1 2.87Å; S151-D224 PolarHBondContact OG-OD2 3.18Å; S151-D224 VanDerWaalsContact OG-OD2 3.13Å; S151-V284 VanDerWaalsContact C-CG2 3.42Å; S151-E285 WeakPolarHBondContact CA-OE1 3.4Å; S151-E285 WeakPolarHBondContact CB-OE1 3.26Å
152Y98.8Very high98.7Very high89 Ų8944.5 Ų44.535%0.34921%0.213SC..THydrogen-bonded Turntrans-56.3-45.3177.2-178.1-94.2000112.3K154 D224 R240 K242 V284 E285Y152-K154 PolarHBondContact O-N 3.45Å; Y152-D224 PolarHBondContact N-OD2 2.77Å; Y152-R240 WeakPolarHBondContact CD1-O 3.28Å; Y152-K242 HydrophobicContact CE1-CG 4.11Å; Y152-K242 WeakPolarHBondContact OH-CB 3.28Å; Y152-K242 WeakPolarHBondContact OH-CG 3.44Å; Y152-K242 PolarHBondContact OH-N 3.27Å; Y152-V284 VanDerWaalsContact N-CG2 3.29Å; Y152-E285 PolarHBondContact N-OE1 2.79Å
153E98.8Very high98.7Very high82 Ų8244.1 Ų44.138%0.38321%0.212SC..THydrogen-bonded Turntrans-8618.1177.4-57.4-177.3165.800113.1S151 R155 D224 R240S151-E153 VanDerWaalsContact C-N 3.31Å; S151-E153 PolarHBondContact O-N 2.75Å; E153-R155 IonicContact OE2-CZ 3.18Å; E153-R155 IonicContact OE2-NH1 3.61Å; E153-R155 PolarHBondContact OE2-NH1 2.93Å; E153-R155 IonicContact OE2-NH2 2.79Å; E153-R155 PolarHBondContact OE2-NH2 2.73Å; E153-D224 WeakPolarHBondContact CB-OD2 3.29Å; E153-D224 HydrophobicContact CG-CB 4.32Å; E153-D224 WeakPolarHBondContact CG-OD2 3.3Å; E153-D224 PolarHBondContact N-OD2 3.19Å; E153-R240 HydrophobicContact CG-CB 4.28Å
154K98.8Very high98.7Very high146 Ų14646.2 Ų46.264%0.63523%0.225SC*.SBendtrans69.629.7171.1-49.5-56.5-178.8-176.30115.4S151 Y152S151-K154 PolarHBondContact O-N 2.98Å; S151-K154 PolarHBondContact OG-N 3.15Å; Y152-K154 PolarHBondContact O-N 3.45Å
155R98.8Very high98.4Very high61 Ų6145.6 Ų45.623%0.2323%0.226CC..  trans-86137.4168.3-58.9-172.9-179.673.71.9110L125 E150 S151 E153 P223 D224L125-R155 VanDerWaalsContact CD2-CD 3.48Å; E150-R155 CarbonylContact C-O 3.44Å; E150-R155 VanDerWaalsContact CA-O 3.27Å; E150-R155 WeakPolarHBondContact CA-O 3.34Å; S151-R155 PolarHBondContact N-O 3.07Å; S151-R155 WeakPolarHBondContact OG-CA 3.39Å; S151-R155 WeakPolarHBondContact OG-CB 3.31Å; S151-R155 PolarHBondContact OG-N 3.19Å; S151-R155 PolarHBondContact OG-O 3.34Å; E153-R155 IonicContact OE2-CZ 3.18Å; E153-R155 IonicContact OE2-NH1 3.61Å; E153-R155 PolarHBondContact OE2-NH1 2.93Å; E153-R155 IonicContact OE2-NH2 2.79Å; E153-R155 PolarHBondContact OE2-NH2 2.73Å; R155-P223 HydrophobicContact CB-CB 4.23Å; R155-P223 HydrophobicContact CB-CG 4.19Å; R155-D224 IonicContact CZ-OD1 2.79Å; R155-D224 IonicContact NH1-OD1 2.86Å; R155-D224 PolarHBondContact NH1-OD1 3.13Å
156P98.8Very high98.1Very high27 Ų2746.1 Ų46.118%0.17525%0.246CC..EExtended strand (participates in β ladder)trans-67.6137.7-178.827.8-35.5000111.6Y129 Q147 Y158Y129-P156 HydrophobicContact CE2-CG 3.94Å; Y129-P156 PolarHBondContact OH-O 3.36Å; Q147-P156 HydrophobicContact CG-CB 4.06Å; P156-Y158 HydrophobicContact CB-CD1 4.27Å; P156-Y158 HydrophobicContact CB-CD2 4.33Å; P156-Y158 HydrophobicContact CB-CE1 3.71Å; P156-Y158 HydrophobicContact CB-CE2 3.81Å; P156-Y158 VanDerWaalsContact CB-CZ 3.45Å; P156-Y158 HydrophobicContact CG-CD2 4.04Å; P156-Y158 HydrophobicContact CG-CE1 4.1Å; P156-Y158 HydrophobicContact CG-CE2 3.28Å; P156-Y158 VanDerWaalsContact CG-OH 3.31Å; P156-Y158 WeakPolarHBondContact CG-OH 3.35Å; P156-Y158 PolarHBondContact O-N 2.77Å
157L98.9Very high97.7Very high0 Ų049.6 Ų49.60%027%0.27CS..EExtended strand (participates in β ladder)trans-90.399.5171.8-67.2165.3000109.3Q147 I148 G149 P223 E285Q147-L157 WeakPolarHBondContact CA-O 3.41Å; I148-L157 HydrophobicContact CG1-CB 3.8Å; I148-L157 PolarHBondContact N-O 2.53Å; G149-L157 PolarHBondContact O-N 2.73Å; L157-P223 HydrophobicContact CD2-CG 3.81Å; L157-E285 HydrophobicContact CD1-CB 4.41Å; L157-E285 HydrophobicContact CD1-CG 4.45Å; L157-E285 HydrophobicContact CD2-CG 4.34Å
158Y98.9Very high97.2Very high50 Ų5048.1 Ų48.120%0.19627%0.265CS..EExtended strand (participates in β ladder)trans-91.9127.5-177.4-67.2-50.5000113.1Y129 K145 L146 Q147 P156 L218Y129-Y158 AromaticContact CD1-CD2 3.95Å; Y129-Y158 HydrophobicContact CD1-CD2 3.95Å; Y129-Y158 AromaticContact CD2-CD2 3.73Å; Y129-Y158 HydrophobicContact CD2-CD2 3.73Å; Y129-Y158 AromaticContact CD2-CE2 3.6Å; Y129-Y158 HydrophobicContact CD2-CE2 3.6Å; Y129-Y158 AromaticContact CE1-CD2 4Å; Y129-Y158 HydrophobicContact CE1-CD2 4Å; Y129-Y158 AromaticContact CE2-CD2 3.78Å; Y129-Y158 HydrophobicContact CE2-CD2 3.78Å; Y129-Y158 AromaticContact CE2-CE2 3.82Å; Y129-Y158 HydrophobicContact CE2-CE2 3.82Å; Y129-Y158 AromaticContact CG-CD2 3.82Å; Y129-Y158 HydrophobicContact CG-CD2 3.82Å; Y129-Y158 HydrophobicContact CG-CE2 4.04Å; Y129-Y158 AromaticContact CZ-CD2 3.92Å; K145-Y158 HydrophobicContact CD-CD1 4Å; K145-Y158 HydrophobicContact CD-CD2 4.36Å; K145-Y158 HydrophobicContact CD-CE1 4.48Å; K145-Y158 HydrophobicContact CD-CG 3.95Å; K145-Y158 HydrophobicContact CG-CD1 4.08Å; K145-Y158 HydrophobicContact CG-CG 4.25Å; L146-Y158 CarbonylContact O-C 3.5Å; L146-Y158 WeakPolarHBondContact O-CA 3.48Å; Q147-Y158 HydrophobicContact CB-CD1 4.14Å; Q147-Y158 HydrophobicContact CB-CE1 4.08Å; Q147-Y158 HydrophobicContact CG-CE1 4.38Å; P156-Y158 HydrophobicContact CB-CD1 4.27Å; P156-Y158 HydrophobicContact CB-CD2 4.33Å; P156-Y158 HydrophobicContact CB-CE1 3.71Å; P156-Y158 HydrophobicContact CB-CE2 3.81Å; P156-Y158 VanDerWaalsContact CB-CZ 3.45Å; P156-Y158 HydrophobicContact CG-CD2 4.04Å; P156-Y158 HydrophobicContact CG-CE1 4.1Å; P156-Y158 HydrophobicContact CG-CE2 3.28Å; P156-Y158 VanDerWaalsContact CG-OH 3.31Å; P156-Y158 WeakPolarHBondContact CG-OH 3.35Å; P156-Y158 PolarHBondContact O-N 2.77Å; Y158-L218 WeakPolarHBondContact O-CD1 3.24Å
159V98.9Very high97.1Very high0 Ų048.1 Ų48.10%026%0.263CS..EExtended strand (participates in β ladder)trans-112.6130.3173.5175.70000108.7L146 I148 W173 F216 L217 L218L146-V159 HydrophobicContact CB-CB 4.49Å; L146-V159 PolarHBondContact N-O 3.02Å; L146-V159 PolarHBondContact O-N 3.35Å; I148-V159 HydrophobicContact CB-CG2 4.44Å; I148-V159 HydrophobicContact CD1-CG2 3.84Å; I148-V159 HydrophobicContact CG1-CG2 4.01Å; I148-V159 HydrophobicContact CG2-CB 4.17Å; I148-V159 HydrophobicContact CG2-CG2 3.59Å; V159-W173 HydrophobicContact CG1-CZ3 4.41Å; V159-W173 HydrophobicContact CG2-CH2 3.94Å; V159-W173 HydrophobicContact CG2-CZ3 4.12Å; V159-F216 HydrophobicContact CG1-CB 3.84Å; V159-F216 HydrophobicContact CG1-CD1 3.91Å; V159-F216 HydrophobicContact CG1-CG 4.37Å; V159-L217 CarbonylContact C-O 3.57Å; V159-L217 WeakPolarHBondContact CA-O 3.28Å; V159-L218 HydrophobicContact CG2-CB 4.15Å; V159-L218 HydrophobicContact CG2-CD1 4.14Å
160L98.9Very high97.1Very high0 Ų049.4 Ų49.40%027%0.268CS..EExtended strand (participates in β ladder)trans-83.3126.3163.9-69.5-177.4000109.3L132 L135 V143 S144 K145 F162 A193 F216 L217L132-L160 HydrophobicContact CB-CD2 4.19Å; L132-L160 HydrophobicContact CD2-CD1 3.71Å; L132-L160 HydrophobicContact CD2-CG 4.08Å; L135-L160 HydrophobicContact CD1-CD1 4.11Å; V143-L160 HydrophobicContact CG1-CD2 3.95Å; S144-L160 WeakPolarHBondContact O-CA 3.28Å; K145-L160 HydrophobicContact CB-CD2 4.12Å; K145-L160 HydrophobicContact CG-CD2 4.23Å; L160-F162 HydrophobicContact CB-CE2 3.78Å; L160-F162 HydrophobicContact CB-CZ 4.02Å; L160-F162 HydrophobicContact CD1-CZ 4.04Å; L160-A193 HydrophobicContact CD1-CB 3.87Å; L160-F216 CarbonylContact O-C 3.5Å; L160-F216 WeakPolarHBondContact O-CA 3.45Å; L160-L217 PolarHBondContact N-O 3.03Å; L160-L217 PolarHBondContact O-N 2.91Å
161K98.8Very high97.1Very high46 Ų4645.1 Ų45.120%0.225%0.248CC..EExtended strand (participates in β ladder)trans-99.9121.5169.4174.8-177.2178.4164.80108.6V143 S144 L146 D214 I215 F216V143-K161 CarbonylContact C-O 3.5Å; V143-K161 WeakPolarHBondContact CA-O 3.32Å; S144-K161 PolarHBondContact N-O 2.96Å; S144-K161 PolarHBondContact O-N 2.71Å; L146-K161 HydrophobicContact CD1-CB 3.89Å; L146-K161 HydrophobicContact CD1-CD 4.31Å; L146-K161 HydrophobicContact CG-CB 4.34Å; K161-D214 WeakPolarHBondContact CE-OD2 3.28Å; K161-D214 IonicContact NZ-OD2 3.8Å; K161-D214 PolarHBondContact NZ-OD2 2.98Å; K161-I215 CarbonylContact C-O 3.54Å; K161-I215 WeakPolarHBondContact CA-O 3.25Å; K161-F216 HydrophobicContact CB-CD1 3.89Å; K161-F216 HydrophobicContact CB-CE1 3.73Å; K161-F216 HydrophobicContact CD-CE1 3.68Å; K161-F216 HydrophobicContact CD-CZ 4.05Å; K161-F216 HydrophobicContact CG-CD1 4.08Å; K161-F216 HydrophobicContact CG-CE1 3.55Å; K161-F216 HydrophobicContact CG-CZ 4.15Å
162F98.8Very high97.1Very high0 Ų045 Ų450%025%0.248CC..EExtended strand (participates in β ladder)trans-101.2119.7169.3-54.3-94.9000108.9I142 V143 L160 A193 I196 A197 L210 D214 I215 L217I142-F162 CarbonylContact O-C 3.6Å; I142-F162 VanDerWaalsContact O-CA 3.24Å; I142-F162 WeakPolarHBondContact O-CA 3.28Å; V143-F162 HydrophobicContact CG1-CE1 4.3Å; V143-F162 HydrophobicContact CG2-CD1 3.66Å; V143-F162 HydrophobicContact CG2-CE1 3.7Å; L160-F162 HydrophobicContact CB-CE2 3.78Å; L160-F162 HydrophobicContact CB-CZ 4.02Å; L160-F162 HydrophobicContact CD1-CZ 4.04Å; F162-A193 HydrophobicContact CZ-CB 4.01Å; F162-I196 HydrophobicContact CB-CG2 4.15Å; F162-I196 HydrophobicContact CD1-CB 4.09Å; F162-I196 HydrophobicContact CD1-CG2 3.44Å; F162-I196 VanDerWaalsContact CD1-CG2 3.44Å; F162-I196 HydrophobicContact CD2-CG2 4.4Å; F162-I196 HydrophobicContact CE1-CB 4.01Å; F162-I196 HydrophobicContact CE1-CG2 3.9Å; F162-I196 HydrophobicContact CE2-CD1 4.44Å; F162-I196 HydrophobicContact CG-CG2 3.74Å; F162-I196 HydrophobicContact CZ-CB 4.44Å; F162-A197 HydrophobicContact CE1-CB 4.19Å; F162-L210 HydrophobicContact CB-CD1 4.29Å; F162-L210 HydrophobicContact CB-CD2 3.77Å; F162-D214 WeakPolarHBondContact O-CA 3.22Å; F162-I215 HydrophobicContact CB-CB 4.2Å; F162-I215 HydrophobicContact CD2-CB 4.16Å; F162-I215 HydrophobicContact CD2-CG2 4.3Å; F162-I215 PolarHBondContact N-O 3.22Å; F162-I215 PolarHBondContact O-N 3.06Å; F162-L217 HydrophobicContact CE2-CB 3.9Å; F162-L217 HydrophobicContact CE2-CD2 4.18Å
163S98.4Very high97.1Very high14 Ų1440.8 Ų40.810%0.09823%0.231CC..  trans-160.2141.9-174.6-178.20000111.8I142 G165 D214I142-S163 WeakPolarHBondContact CA-O 3.25Å; I142-S163 PolarHBondContact O-N 3.26Å; S163-G165 VanDerWaalsContact C-N 3.3Å; S163-G165 PolarHBondContact OG-N 3.42Å; S163-G165 PolarHBondContact OG-O 3.28Å; S163-D214 WeakPolarHBondContact CB-OD1 3.35Å; S163-D214 PolarHBondContact OG-OD1 2.89Å
164T97.5Very high97.1Very high50 Ų5037 Ų3731%0.30721%0.213SC..  trans-94.91617460.20000112.6I142 R169 Y200 L210I142-T164 HydrophobicContact CG2-CG2 4.41Å; T164-R169 PolarHBondContact OG1-NH1 2.7Å; T164-Y200 HydrophobicContact CG2-CD2 4.4Å; T164-Y200 HydrophobicContact CG2-CE1 4.15Å; T164-Y200 HydrophobicContact CG2-CE2 3.46Å; T164-Y200 VanDerWaalsContact CG2-CE2 3.46Å; T164-Y200 WeakPolarHBondContact CG2-OH 3.32Å; T164-L210 HydrophobicContact CG2-CB 3.99Å; T164-L210 WeakPolarHBondContact CG2-O 3.48Å; T164-L210 PolarHBondContact OG1-O 3.36Å
165G93Very high97.1Very high35 Ų3530.1 Ų30.136%0.36118%0.183SC..SBendtrans104.8-156.9-18000000113.1S163 R169S163-G165 VanDerWaalsContact C-N 3.3Å; S163-G165 PolarHBondContact OG-N 3.42Å; S163-G165 PolarHBondContact OG-O 3.28Å; G165-R169 WeakPolarHBondContact O-CD 3.42Å; G165-R169 PolarHBondContact O-NH1 3.11Å
166G91.9Very high97.1Very high62 Ų6227.2 Ų27.264%0.63917%0.172SC*.  trans76.2172.9-171.700000113.7
167T89.4Confident97.1Very high134 Ų13425.9 Ų25.982%0.82216%0.164SC*.SBendtrans-115.6122.2-175.9-55.70000110.4R169T167-R169 PolarHBondContact O-N 2.56Å
168N89.2Confident97.1Very high70 Ų7026 Ų2637%0.37416%0.164SC..SBendtrans47.958.3175.4-164.122.3000112.4H296 K298N168-H296 PolarHBondContact OD1-O 2.72Å; N168-K298 WeakPolarHBondContact O-CD 3.45Å; N168-K298 PolarHBondContact O-NZ 2.88Å
169R96.6Very high97.1Very high33 Ų3323.6 Ų23.613%0.12516%0.155CC..  trans-74.7156.9178.1-73.4169.669.5-172.9-2.4110.4T164 G165 T167 A171 L210 D211 K212 M213 D214 H296T164-R169 PolarHBondContact OG1-NH1 2.7Å; G165-R169 WeakPolarHBondContact O-CD 3.42Å; G165-R169 PolarHBondContact O-NH1 3.11Å; T167-R169 PolarHBondContact O-N 2.56Å; R169-A171 PolarHBondContact O-N 3.33Å; R169-L210 PolarHBondContact NH1-O 2.91Å; R169-L210 PolarHBondContact NH2-O 2.99Å; R169-D211 PolarHBondContact NH2-O 3.06Å; R169-K212 VanDerWaalsContact NH2-CA 3.3Å; R169-K212 PolarHBondContact NH2-O 3.45Å; R169-M213 VanDerWaalsContact NH2-N 3.19Å; R169-D214 IonicContact NH1-OD1 2.72Å; R169-H296 PolarHBondContact O-CE1 2.83Å
170P97.9Very high97.1Very high47 Ų4723.6 Ų23.631%0.30516%0.155SC..  trans-52.6138.7165.6-22.133.7000109.9M213 D214 K298 L300P170-M213 HydrophobicContact CB-CE 4.08Å; P170-M213 CarbonylContact O-C 3.3Å; P170-M213 WeakPolarHBondContact O-CA 3.41Å; P170-M213 WeakPolarHBondContact O-CB 3.21Å; P170-D214 PolarHBondContact O-N 3.39Å; P170-K298 WeakPolarHBondContact CA-O 3.36Å; P170-L300 HydrophobicContact CB-CD1 3.73Å; P170-L300 HydrophobicContact CB-CG 4.07Å
171A98.6Very high97.1Very high0 Ų023.8 Ų23.80%016%0.156CC..EExtended strand (participates in β ladder)trans-139.3159.6-172.400000113.5R169 D214 F216 K298 I299 L300R169-A171 PolarHBondContact O-N 3.33Å; A171-D214 CarbonylContact C-O 3.59Å; A171-D214 WeakPolarHBondContact CA-O 3.44Å; A171-D214 HydrophobicContact CB-CB 3.87Å; A171-D214 WeakPolarHBondContact CB-O 3.19Å; A171-F216 HydrophobicContact CB-CD2 3.87Å; A171-F216 HydrophobicContact CB-CE2 3.63Å; A171-K298 PolarHBondContact N-O 2.91Å; A171-I299 HydrophobicContact CB-CD1 3.85Å; A171-I299 CarbonylContact O-C 3.37Å; A171-I299 WeakPolarHBondContact O-CA 3.21Å; A171-L300 PolarHBondContact O-N 3.26Å
172I98.9Very high97.1Very high0 Ų021.7 Ų21.70%015%0.147CC..EExtended strand (participates in β ladder)trans-111.1131.2174.6-66.6153.2000107.9L209 M213 D214 I215 F216 A301 L303 M411 V414I172-L209 HydrophobicContact CD1-CD1 3.98Å; I172-M213 HydrophobicContact CD1-CE 4.04Å; I172-M213 HydrophobicContact CD1-SD 3.96Å; I172-M213 HydrophobicContact CG1-CE 3.82Å; I172-M213 HydrophobicContact CG1-SD 4.41Å; I172-D214 PolarHBondContact N-O 3.25Å; I172-I215 HydrophobicContact CB-CG1 4.5Å; I172-F216 PolarHBondContact O-N 3.17Å; I172-A301 HydrophobicContact CG1-CB 4.1Å; I172-A301 HydrophobicContact CG2-CB 4.2Å; I172-L303 HydrophobicContact CG2-CD1 4.03Å; I172-L303 HydrophobicContact CG2-CG 4.49Å; I172-M411 HydrophobicContact CD1-CB 3.82Å; I172-M411 HydrophobicContact CD1-CG 3.67Å; I172-M411 HydrophobicContact CD1-SD 4.13Å; I172-M411 HydrophobicContact CG2-CG 4.32Å; I172-M411 HydrophobicContact CG2-SD 4.38Å; I172-V414 HydrophobicContact CG1-CG1 4.49Å
173W98.9Very high97.1Very high0 Ų022 Ų220%015%0.148CC..EExtended strand (participates in β ladder)trans-97.8129.6169176.2-88.8000109.5I148 V159 D175 F216 L218 V289 F292 I293 I299 A301 F302 L303I148-W173 HydrophobicContact CD1-CH2 3.97Å; V159-W173 HydrophobicContact CG1-CZ3 4.41Å; V159-W173 HydrophobicContact CG2-CH2 3.94Å; V159-W173 HydrophobicContact CG2-CZ3 4.12Å; W173-D175 HydrophobicContact CZ2-CB 4.04Å; W173-D175 PolarHBondContact NE1-OD2 3.16Å; W173-F216 HydrophobicContact CE3-CB 3.83Å; W173-F216 HydrophobicContact CZ3-CB 4.22Å; W173-L218 HydrophobicContact CH2-CB 3.96Å; W173-L218 HydrophobicContact CH2-CD2 3.99Å; W173-L218 HydrophobicContact CZ2-CB 3.85Å; W173-L218 HydrophobicContact CZ2-CD2 3.78Å; W173-L218 HydrophobicContact CZ2-CG 4.49Å; W173-V289 HydrophobicContact CH2-CG1 4.04Å; W173-V289 HydrophobicContact CH2-CG2 4.06Å; W173-V289 HydrophobicContact CZ2-CB 4.19Å; W173-V289 HydrophobicContact CZ2-CG1 3.46Å; W173-V289 VanDerWaalsContact CZ2-CG1 3.46Å; W173-V289 HydrophobicContact CZ2-CG2 3.71Å; W173-F292 AromaticContact CE3-CD1 3.85Å; W173-F292 HydrophobicContact CE3-CD1 3.85Å; W173-F292 AromaticContact CE3-CE1 3.82Å; W173-F292 HydrophobicContact CE3-CE1 3.82Å; W173-F292 HydrophobicContact CH2-CD1 4.49Å; W173-F292 AromaticContact CZ3-CD1 3.51Å; W173-F292 HydrophobicContact CZ3-CD1 3.51Å; W173-F292 AromaticContact CZ3-CE1 3.68Å; W173-F292 HydrophobicContact CZ3-CE1 3.68Å; W173-F292 HydrophobicContact CZ3-CG 4.29Å; W173-I293 HydrophobicContact CD2-CD1 4.4Å; W173-I293 HydrophobicContact CG-CD1 4.37Å; W173-I299 HydrophobicContact CB-CG2 3.82Å; W173-A301 PolarHBondContact N-O 2.97Å; W173-F302 HydrophobicContact CB-CD2 4.32Å; W173-F302 AromaticContact CD1-CD2 3.34Å; W173-F302 AromaticContact CD1-CE2 3.27Å; W173-F302 AromaticContact CD1-CG 3.89Å; W173-F302 AromaticContact CD1-CZ 3.74Å; W173-F302 AromaticContact CG-CD2 3.96Å; W173-F302 HydrophobicContact CG-CD2 3.96Å; W173-F302 HydrophobicContact CG-CE2 4.11Å; W173-F302 AromaticContact NE1-CD2 4Å; W173-F302 AromaticContact NE1-CE2 3.41Å; W173-F302 AromaticContact NE1-CZ 3.66Å; W173-L303 PolarHBondContact O-N 3.48Å
174L98.9Very high97.1Very high2 Ų221.5 Ų21.51%0.0114%0.144CC..EExtended strand (participates in β ladder)trans-129.4127.4172.7176.762.1000108.8I192 F216 L217 L218 L303 L305 L407L174-I192 HydrophobicContact CD2-CG2 4.25Å; L174-F216 PolarHBondContact N-O 3.33Å; L174-L217 HydrophobicContact CB-CD1 4Å; L174-L217 HydrophobicContact CD2-CD1 3.74Å; L174-L217 HydrophobicContact CG-CD1 3.61Å; L174-L217 CarbonylContact O-C 3.48Å; L174-L217 VanDerWaalsContact O-CA 3.25Å; L174-L217 WeakPolarHBondContact O-CA 3.39Å; L174-L217 WeakPolarHBondContact O-CD1 3.46Å; L174-L218 PolarHBondContact O-N 3.48Å; L174-L303 CarbonylContact C-O 3.56Å; L174-L303 VanDerWaalsContact CA-O 3.27Å; L174-L303 WeakPolarHBondContact CA-O 3.21Å; L174-L303 HydrophobicContact CD1-CB 3.63Å; L174-L305 HydrophobicContact CD1-CD1 4.24Å; L174-L305 HydrophobicContact CD1-CD2 4.15Å; L174-L305 HydrophobicContact CD1-CG 3.93Å; L174-L407 HydrophobicContact CD1-CD2 4.08Å; L174-L407 HydrophobicContact CD2-CD1 4.15Å
175D98.9Very high97.2Very high1 Ų119.1 Ų19.11%0.00513%0.129CC..EExtended strand (participates in β ladder)trans-134.4158.6174.179.183.8000113.5W173 L218 T221 F302 L303 T304 L305W173-D175 HydrophobicContact CZ2-CB 4.04Å; W173-D175 PolarHBondContact NE1-OD2 3.16Å; D175-L218 WeakPolarHBondContact CA-O 3.4Å; D175-L218 HydrophobicContact CB-CB 3.86Å; D175-L218 HydrophobicContact CB-CD2 4.47Å; D175-L218 HydrophobicContact CB-CG 4.44Å; D175-T221 WeakPolarHBondContact CB-OG1 3.14Å; D175-T221 PolarHBondContact OD1-OG1 3.34Å; D175-T221 VanDerWaalsContact OD1-OG1 3.14Å; D175-F302 VanDerWaalsContact OD2-CZ 3.27Å; D175-F302 WeakPolarHBondContact OD2-CZ 3.18Å; D175-L303 PolarHBondContact N-O 3.08Å; D175-T304 WeakPolarHBondContact O-CA 3.48Å; D175-L305 PolarHBondContact O-N 3.21Å
176A98.9Very high97.5Very high0 Ų017.4 Ų17.40%011%0.112CC..EExtended strand (participates in β ladder)trans-145.5155.8-176.700000111.4I178 A189 L218 T221 L305A176-I178 VanDerWaalsContact C-N 3.32Å; A176-I178 PolarHBondContact O-N 3.3Å; A176-A189 HydrophobicContact CB-CB 3.56Å; A176-L218 PolarHBondContact N-O 3.43Å; A176-T221 WeakPolarHBondContact O-CB 3.32Å; A176-T221 PolarHBondContact O-N 3.04Å; A176-T221 PolarHBondContact O-OG1 3.47Å; A176-L305 HydrophobicContact CB-CB 4.06Å; A176-L305 HydrophobicContact CB-CD1 4.34Å
177G98.9Very high97.8Very high0 Ų014.9 Ų14.90%09%0.085CC..  trans69.130.1172.600000114.2T185 Q186 N222G177-T185 WeakPolarHBondContact CA-OG1 3.1Å; G177-T185 PolarHBondContact N-OG1 3.2Å; G177-T185 VanDerWaalsContact N-OG1 3.08Å; G177-Q186 VanDerWaalsContact CA-CD 3.49Å; G177-N222 WeakPolarHBondContact O-CB 3.2Å; G177-N222 PolarHBondContact O-N 3.28Å
178I98.9Very high98.3Very high1 Ų18.5 Ų8.51%0.0055%0.046CC..SBendtrans-63-35.4170.2-166.3171000110.3A176 T221 N222 P253 N254 W257 H306A176-I178 VanDerWaalsContact C-N 3.32Å; A176-I178 PolarHBondContact O-N 3.3Å; I178-T221 HydrophobicContact CB-CG2 3.89Å; I178-T221 HydrophobicContact CD1-CG2 4.18Å; I178-T221 HydrophobicContact CG1-CG2 3.78Å; I178-N222 WeakPolarHBondContact O-CB 3.29Å; I178-N222 PolarHBondContact O-ND2 2.61Å; I178-P253 HydrophobicContact CD1-CB 4.18Å; I178-P253 HydrophobicContact CG1-CB 3.7Å; I178-P253 HydrophobicContact CG1-CG 3.75Å; I178-P253 WeakPolarHBondContact O-CG 3.45Å; I178-N254 HydrophobicContact CD1-CB 4.47Å; I178-W257 HydrophobicContact CD1-CZ2 4.06Å; I178-H306 WeakPolarHBondContact CG2-CE1 3.47Å
179H98.9Very high98.7Very high1 Ų15.2 Ų5.21%0.0053%0.028CC..SBendtrans-95.9130162.2-58.4131.7000110.5E182 R237 D252 N254 H306H179-E182 VanDerWaalsContact CB-CD 3.43Å; H179-E182 HydrophobicContact CB-CG 3.91Å; H179-E182 WeakPolarHBondContact CB-OE1 3.5Å; H179-E182 IonicContact CE1-OE1 3.79Å; H179-E182 IonicContact CG-OE1 3.62Å; H179-E182 VanDerWaalsContact CG-OE1 3.31Å; H179-E182 IonicContact ND1-OE1 3.77Å; H179-E182 PolarHBondContact ND1-OE1 2.87Å; H179-E182 IonicContact ND1-OE2 2.89Å; H179-E182 PolarHBondContact O-N 3.02Å; H179-R237 WeakPolarHBondContact CA-O 3.01Å; H179-R237 HydrophobicContact CB-CG 3.88Å; H179-R237 PolarHBondContact CE1-NH2 2.85Å; H179-R237 VanDerWaalsContact CG-CZ 3.42Å; H179-R237 VanDerWaalsContact CG-NH1 3.3Å; H179-R237 PolarHBondContact ND1-NH1 3.4Å; H179-R237 PolarHBondContact ND1-NH2 3.41Å; H179-R237 PolarHBondContact NE2-NH2 3.5Å; H179-R237 VanDerWaalsContact NE2-NH2 3.18Å; H179-D252 IonicContact CD2-OD1 2.8Å; H179-D252 IonicContact NE2-OD1 3.86Å; H179-D252 PolarHBondContact NE2-OD1 2.9Å; H179-D252 VanDerWaalsContact NE2-OD1 3.1Å; H179-N254 WeakPolarHBondContact NE2-CB 3.36Å; H179-H306 AromaticContact CE1-CE1 3.39Å; H179-H306 PolarHBondContact CE1-CE1 3.42Å; H179-H306 AromaticContact CE1-ND1 3.59Å; H179-H306 AromaticContact ND1-CE1 3.5Å; H179-H306 PolarHBondContact ND1-CE1 2.94Å; H179-H306 AromaticContact ND1-ND1 3.25Å; H179-H306 PolarHBondContact ND1-ND1 2.95Å
180S98.9Very high98.9Very high0 Ų03.8 Ų3.80%02%0.023CC..THydrogen-bonded Turntrans-74.1-34.2-165.635.50000114.6E182 W183 G225 Y226 W236 R237S180-E182 VanDerWaalsContact C-N 3.25Å; S180-E182 PolarHBondContact O-N 2.97Å; S180-W183 PolarHBondContact O-NE1 2.89Å; S180-G225 WeakPolarHBondContact CB-O 3.47Å; S180-Y226 VanDerWaalsContact CB-N 3.27Å; S180-W236 PolarHBondContact OG-O 3.48Å; S180-R237 PolarHBondContact N-O 3.4Å; S180-R237 VanDerWaalsContact N-O 3.12Å; S180-R237 VanDerWaalsContact OG-C 3.31Å; S180-R237 PolarHBondContact OG-O 2.88Å; S180-R237 VanDerWaalsContact OG-O 3.05Å
181R98.8Very high98.9Very high4 Ų43.2 Ų3.22%0.0152%0.015CC..THydrogen-bonded Turntrans-70-13.5177.865.7-167.7-172.6-174.34.5115.6D51 F52 W183 R234 M235 W236 F389D51-R181 IonicContact OD1-CZ 3.57Å; D51-R181 IonicContact OD1-NH1 3.62Å; D51-R181 PolarHBondContact OD1-NH1 3.43Å; D51-R181 IonicContact OD1-NH2 3.46Å; D51-R181 IonicContact OD2-NH1 2.85Å; F52-R181 PolarHBondContact O-NH2 3.5Å; R181-W183 PolarHBondContact O-N 3.05Å; R181-R234 WeakPolarHBondContact CB-O 3.49Å; R181-R234 PolarHBondContact O-NH1 3.34Å; R181-M235 WeakPolarHBondContact CD-O 3.29Å; R181-M235 PolarHBondContact NH1-O 3.39Å; R181-W236 VanDerWaalsContact CB-O 3.28Å; R181-W236 WeakPolarHBondContact CB-O 3.22Å; R181-W236 PolarHBondContact N-O 3.2Å; R181-F389 HydrophobicContact CG-CD1 4.17Å; R181-F389 HydrophobicContact CG-CD2 4.2Å; R181-F389 HydrophobicContact CG-CE1 4.44Å; R181-F389 HydrophobicContact CG-CE2 4.48Å; R181-F389 HydrophobicContact CG-CG 4.06Å
182E98.9Very high98.9Very high2 Ų23.2 Ų3.21%0.0092%0.015CC..  trans-82.352.5-172.9-64.1178-162.400111.5H179 S180 I184 T185 Q186 R237 H306 S307 F389H179-E182 VanDerWaalsContact CB-CD 3.43Å; H179-E182 HydrophobicContact CB-CG 3.91Å; H179-E182 WeakPolarHBondContact CB-OE1 3.5Å; H179-E182 IonicContact CE1-OE1 3.79Å; H179-E182 IonicContact CG-OE1 3.62Å; H179-E182 VanDerWaalsContact CG-OE1 3.31Å; H179-E182 IonicContact ND1-OE1 3.77Å; H179-E182 PolarHBondContact ND1-OE1 2.87Å; H179-E182 IonicContact ND1-OE2 2.89Å; H179-E182 PolarHBondContact O-N 3.02Å; S180-E182 VanDerWaalsContact C-N 3.25Å; S180-E182 PolarHBondContact O-N 2.97Å; E182-I184 PolarHBondContact O-N 3.41Å; E182-T185 HydrophobicContact CB-CG2 4.09Å; E182-T185 WeakPolarHBondContact O-CB 3.47Å; E182-T185 WeakPolarHBondContact O-CG2 3.48Å; E182-T185 PolarHBondContact O-N 3.24Å; E182-T185 PolarHBondContact O-OG1 2.9Å; E182-Q186 PolarHBondContact O-OE1 3.22Å; E182-R237 IonicContact OE1-NH1 4Å; E182-R237 PolarHBondContact OE1-NH1 3.17Å; E182-H306 IonicContact OE1-ND1 3.1Å; E182-H306 WeakPolarHBondContact OE2-CA 3.41Å; E182-H306 VanDerWaalsContact OE2-CB 3.32Å; E182-H306 WeakPolarHBondContact OE2-CB 3.42Å; E182-H306 IonicContact OE2-CG 2.79Å; E182-H306 IonicContact OE2-ND1 2.91Å; E182-H306 PolarHBondContact OE2-ND1 2.03Å; E182-S307 WeakPolarHBondContact CA-OG 3.41Å; E182-S307 VanDerWaalsContact CB-OG 3.24Å; E182-S307 WeakPolarHBondContact CB-OG 3.24Å; E182-S307 WeakPolarHBondContact CG-O 3.4Å; E182-S307 PolarHBondContact OE2-N 2.78Å; E182-F389 HydrophobicContact CG-CD1 4.03Å; E182-F389 HydrophobicContact CG-CE1 4Å
183W98.9Very high98.9Very high6 Ų63.2 Ų3.22%0.0232%0.015CC..Hα-helixtrans-54.5-28.5-165.5-79.213.9000115.7E100 M104 Y122 S180 R181 T185 Q186 A187 Y226 T229 H230 R234E100-W183 HydrophobicContact CG-CE3 4.45Å; E100-W183 HydrophobicContact CG-CZ3 4.01Å; E100-W183 WeakPolarHBondContact OE1-CZ3 3.41Å; E100-W183 VanDerWaalsContact OE2-CE3 3.29Å; M104-W183 HydrophobicContact CE-CH2 4.39Å; M104-W183 HydrophobicContact CE-CZ3 4.23Å; M104-W183 HydrophobicContact SD-CH2 4.11Å; M104-W183 HydrophobicContact SD-CZ3 3.57Å; M104-W183 VanDerWaalsContact SD-CZ3 3.57Å; Y122-W183 HydrophobicContact CD1-CB 3.8Å; Y122-W183 HydrophobicContact CD1-CE3 4.21Å; Y122-W183 AromaticContact CD2-CE3 3.86Å; Y122-W183 HydrophobicContact CD2-CE3 3.86Å; Y122-W183 HydrophobicContact CD2-CZ3 4.47Å; Y122-W183 VanDerWaalsContact CE1-C 3.5Å; Y122-W183 HydrophobicContact CE1-CB 3.66Å; Y122-W183 WeakPolarHBondContact CE1-O 3.39Å; Y122-W183 HydrophobicContact CG-CB 4.42Å; Y122-W183 AromaticContact CG-CE3 3.69Å; Y122-W183 HydrophobicContact CG-CE3 3.69Å; Y122-W183 HydrophobicContact CG-CZ3 4.4Å; S180-W183 PolarHBondContact O-NE1 2.89Å; R181-W183 PolarHBondContact O-N 3.05Å; W183-T185 PolarHBondContact O-N 2.97Å; W183-Q186 PolarHBondContact O-N 3.02Å; W183-Q186 PolarHBondContact O-OE1 3.17Å; W183-A187 PolarHBondContact O-N 2.53Å; W183-Y226 AromaticContact CD1-CE2 3.48Å; W183-Y226 VanDerWaalsContact CD1-CE2 3.48Å; W183-Y226 HydrophobicContact CG-CE2 4.09Å; W183-Y226 AromaticContact NE1-CD2 3.91Å; W183-Y226 AromaticContact NE1-CE2 3.57Å; W183-T229 PolarHBondContact NE1-OG1 2.97Å; W183-H230 AromaticContact CE2-NE2 3.7Å; W183-H230 AromaticContact CH2-CE1 3.52Å; W183-H230 AromaticContact CH2-ND1 3.78Å; W183-H230 AromaticContact CH2-NE2 3.72Å; W183-H230 AromaticContact CZ2-CD2 3.44Å; W183-H230 VanDerWaalsContact CZ2-CD2 3.44Å; W183-H230 WeakPolarHBondContact CZ2-CD2 3.36Å; W183-H230 AromaticContact CZ2-CE1 3.64Å; W183-H230 AromaticContact CZ2-CG 3.81Å; W183-H230 AromaticContact CZ2-ND1 3.95Å; W183-H230 AromaticContact CZ2-NE2 3.33Å; W183-H230 VanDerWaalsContact CZ2-NE2 3.33Å; W183-H230 WeakPolarHBondContact CZ2-NE2 3.41Å; W183-R234 VanDerWaalsContact CD2-CZ 3.41Å; W183-R234 VanDerWaalsContact CZ2-CD 3.44Å
184I98.9Very high98.9Very high3 Ų35.7 Ų5.72%0.0153%0.026CC..Hα-helixtrans-60.5-27.4176-170.757.3000112.5E182 S188 S307 L381 L391 I396 T399E182-I184 PolarHBondContact O-N 3.41Å; I184-S188 WeakPolarHBondContact O-CB 3.02Å; I184-S188 PolarHBondContact O-N 3.37Å; I184-S188 PolarHBondContact O-OG 3.01Å; I184-S307 WeakPolarHBondContact CG2-OG 3.21Å; I184-L381 HydrophobicContact CG2-CB 4.31Å; I184-L381 HydrophobicContact CG2-CD1 4.48Å; I184-L391 HydrophobicContact CB-CD2 4.28Å; I184-L391 HydrophobicContact CD1-CD2 3.86Å; I184-L391 HydrophobicContact CG1-CD2 3.77Å; I184-I396 HydrophobicContact CD1-CB 4.24Å; I184-I396 HydrophobicContact CD1-CG1 3.88Å; I184-T399 HydrophobicContact CD1-CG2 4.13Å; I184-T399 HydrophobicContact CG1-CG2 3.75Å
185T98.9Very high98.9Very high0 Ų08.5 Ų8.50%04%0.038CC..Hα-helixtrans-71.7-48.7-178.265.80000111.5G177 E182 W183 S188 A189 L305 H306 L381G177-T185 WeakPolarHBondContact CA-OG1 3.1Å; G177-T185 PolarHBondContact N-OG1 3.2Å; G177-T185 VanDerWaalsContact N-OG1 3.08Å; E182-T185 HydrophobicContact CB-CG2 4.09Å; E182-T185 WeakPolarHBondContact O-CB 3.47Å; E182-T185 WeakPolarHBondContact O-CG2 3.48Å; E182-T185 PolarHBondContact O-N 3.24Å; E182-T185 PolarHBondContact O-OG1 2.9Å; W183-T185 PolarHBondContact O-N 2.97Å; T185-S188 PolarHBondContact O-N 3.05Å; T185-A189 VanDerWaalsContact O-CB 3.27Å; T185-A189 WeakPolarHBondContact O-CB 3.31Å; T185-A189 PolarHBondContact O-N 3.12Å; T185-L305 HydrophobicContact CG2-CB 4.24Å; T185-L305 WeakPolarHBondContact CG2-O 3.3Å; T185-H306 WeakPolarHBondContact CG2-O 3.38Å; T185-L381 HydrophobicContact CG2-CD1 4.26Å
186Q98.9Very high98.9Very high0 Ų08.5 Ų8.50%04%0.038CC..Hα-helixtrans-64.5-42.6177.3-60.487.2-1700110.8I128 G177 E182 W183 A189 L190 V219 V220 Y226I128-Q186 HydrophobicContact CD1-CB 4.36Å; G177-Q186 VanDerWaalsContact CA-CD 3.49Å; E182-Q186 PolarHBondContact O-OE1 3.22Å; W183-Q186 PolarHBondContact O-N 3.02Å; W183-Q186 PolarHBondContact O-OE1 3.17Å; Q186-A189 PolarHBondContact O-N 2.92Å; Q186-L190 WeakPolarHBondContact O-CB 3.35Å; Q186-L190 PolarHBondContact O-N 3.15Å; Q186-V219 WeakPolarHBondContact CG-O 3.2Å; Q186-V220 HydrophobicContact CG-CG2 4.15Å; Q186-Y226 HydrophobicContact CB-CE2 4.35Å; Q186-Y226 HydrophobicContact CG-CD2 4.2Å; Q186-Y226 HydrophobicContact CG-CE2 3.94Å; Q186-Y226 VanDerWaalsContact NE2-CD2 3.27Å
187A98.9Very high98.8Very high9 Ų98.6 Ų8.67%0.0744%0.039CC..Hα-helixtrans-62.9-45.1177.700000111.8Y122 W183 L190 W191 I396Y122-A187 HydrophobicContact CD1-CB 3.92Å; Y122-A187 HydrophobicContact CE1-CB 3.9Å; W183-A187 PolarHBondContact O-N 2.53Å; A187-L190 PolarHBondContact O-N 3.2Å; A187-W191 PolarHBondContact O-N 3.42Å; A187-W191 VanDerWaalsContact O-N 3.1Å; A187-I396 HydrophobicContact CB-CD1 4.15Å; A187-I396 HydrophobicContact CB-CG1 4.26Å; A187-I396 HydrophobicContact CB-CG2 3.72Å
188S98.9Very high98.7Very high0 Ų011 Ų110%06%0.055CC..Hα-helixtrans-65.2-43.1176.5-59.10000111.7I184 T185 L190 W191 I192I184-S188 WeakPolarHBondContact O-CB 3.02Å; I184-S188 PolarHBondContact O-N 3.37Å; I184-S188 PolarHBondContact O-OG 3.01Å; T185-S188 PolarHBondContact O-N 3.05Å; S188-L190 VanDerWaalsContact C-N 3.33Å; S188-L190 PolarHBondContact O-N 3.29Å; S188-W191 PolarHBondContact O-N 3.43Å; S188-I192 WeakPolarHBondContact O-CB 3.5Å; S188-I192 WeakPolarHBondContact O-CD1 3.4Å; S188-I192 WeakPolarHBondContact O-CG1 3.45Å; S188-I192 PolarHBondContact O-N 3.41Å
189A98.9Very high98.7Very high0 Ų012 Ų120%06%0.06CC..Hα-helixtrans-61-40.9177.500000112A176 T185 Q186 I192 A193 L217 V219A176-A189 HydrophobicContact CB-CB 3.56Å; T185-A189 VanDerWaalsContact O-CB 3.27Å; T185-A189 WeakPolarHBondContact O-CB 3.31Å; T185-A189 PolarHBondContact O-N 3.12Å; Q186-A189 PolarHBondContact O-N 2.92Å; A189-I192 PolarHBondContact O-N 2.77Å; A189-A193 PolarHBondContact O-N 2.86Å; A189-L217 HydrophobicContact CB-CD1 4.24Å; A189-V219 HydrophobicContact CB-CB 4.47Å; A189-V219 HydrophobicContact CB-CG1 4.19Å; A189-V219 HydrophobicContact CB-CG2 4.33Å
190L98.8Very high98.6Very high3 Ų315.2 Ų15.22%0.0167%0.073CC..Hα-helixtrans-66-41.2176.3-171.758.4000112.2F117 Y119 I128 E131 L132 L135 Q186 A187 S188 A193 K194 V219F117-L190 HydrophobicContact CE1-CD2 3.57Å; F117-L190 HydrophobicContact CE1-CG 4.33Å; F117-L190 HydrophobicContact CE2-CD2 4.39Å; F117-L190 HydrophobicContact CZ-CD2 3.34Å; F117-L190 HydrophobicContact CZ-CG 4.48Å; Y119-L190 HydrophobicContact CD1-CG 4.29Å; Y119-L190 HydrophobicContact CE1-CG 4.01Å; Y119-L190 WeakPolarHBondContact CE1-O 3.47Å; I128-L190 HydrophobicContact CG1-CD2 4.17Å; I128-L190 HydrophobicContact CG2-CD2 4.33Å; E131-L190 HydrophobicContact CB-CD1 4.33Å; E131-L190 HydrophobicContact CB-CD2 4.43Å; E131-L190 HydrophobicContact CG-CD1 4.05Å; E131-L190 HydrophobicContact CG-CD2 4.37Å; E131-L190 HydrophobicContact CG-CG 4.47Å; L132-L190 HydrophobicContact CD2-CD1 3.71Å; L135-L190 HydrophobicContact CD1-CD1 4.29Å; Q186-L190 WeakPolarHBondContact O-CB 3.35Å; Q186-L190 PolarHBondContact O-N 3.15Å; A187-L190 PolarHBondContact O-N 3.2Å; S188-L190 VanDerWaalsContact C-N 3.33Å; S188-L190 PolarHBondContact O-N 3.29Å; L190-A193 WeakPolarHBondContact O-CB 3.49Å; L190-A193 PolarHBondContact O-N 3.1Å; L190-K194 PolarHBondContact O-N 3.26Å; L190-V219 HydrophobicContact CB-CG1 4.11Å
191W98.9Very high98.5Very high36 Ų3618.2 Ų18.214%0.13610%0.104CC..Hα-helixtrans-62.1-43172.4-177.298.6000111.9Y119 A187 S188 A193 K194 K195 A400 E401 W404Y119-W191 HydrophobicContact CD1-CB 4.18Å; A187-W191 PolarHBondContact O-N 3.42Å; A187-W191 VanDerWaalsContact O-N 3.1Å; S188-W191 PolarHBondContact O-N 3.43Å; W191-A193 VanDerWaalsContact C-N 3.29Å; W191-A193 PolarHBondContact O-N 3.4Å; W191-K194 PolarHBondContact O-N 2.72Å; W191-K195 HydrophobicContact CE3-CB 4.07Å; W191-K195 HydrophobicContact CH2-CB 4.14Å; W191-K195 HydrophobicContact CH2-CD 3.85Å; W191-K195 HydrophobicContact CH2-CG 3.8Å; W191-K195 HydrophobicContact CZ2-CD 4.29Å; W191-K195 HydrophobicContact CZ3-CB 3.79Å; W191-K195 HydrophobicContact CZ3-CD 4.33Å; W191-K195 HydrophobicContact CZ3-CG 3.77Å; W191-K195 WeakPolarHBondContact O-CB 3.26Å; W191-K195 PolarHBondContact O-N 2.97Å; W191-A400 HydrophobicContact CB-CB 3.97Å; W191-A400 HydrophobicContact CD2-CB 3.71Å; W191-A400 HydrophobicContact CE3-CB 3.61Å; W191-A400 HydrophobicContact CG-CB 3.87Å; W191-A400 HydrophobicContact CZ3-CB 4.35Å; W191-E401 HydrophobicContact CH2-CB 4.33Å; W191-E401 HydrophobicContact CH2-CG 3.64Å; W191-E401 HydrophobicContact CZ2-CG 3.48Å; W191-E401 VanDerWaalsContact CZ2-CG 3.48Å; W191-W404 HydrophobicContact CZ3-CB 3.89Å; W191-W404 HydrophobicContact CZ3-CG 4.17Å
192I98.9Very high98.5Very high0 Ų022.1 Ų22.10%013%0.132CC..Hα-helixtrans-61.4-39176.5-70.7160.2000110.6L174 S188 A189 K194 K195 I196 L305 W404 L407L174-I192 HydrophobicContact CD2-CG2 4.25Å; S188-I192 WeakPolarHBondContact O-CB 3.5Å; S188-I192 WeakPolarHBondContact O-CD1 3.4Å; S188-I192 WeakPolarHBondContact O-CG1 3.45Å; S188-I192 PolarHBondContact O-N 3.41Å; A189-I192 PolarHBondContact O-N 2.77Å; I192-K194 PolarHBondContact O-N 3.08Å; I192-K195 WeakPolarHBondContact O-CB 3.15Å; I192-K195 PolarHBondContact O-N 2.8Å; I192-I196 HydrophobicContact CG2-CD1 3.78Å; I192-I196 HydrophobicContact CG2-CG1 4.27Å; I192-I196 WeakPolarHBondContact O-CG1 3.43Å; I192-I196 PolarHBondContact O-N 3.45Å; I192-L305 HydrophobicContact CD1-CD1 4.3Å; I192-W404 HydrophobicContact CG1-CE3 4.42Å; I192-W404 HydrophobicContact CG2-CE3 3.87Å; I192-W404 HydrophobicContact CG2-CZ3 3.94Å; I192-L407 HydrophobicContact CD1-CD1 3.54Å
193A98.8Very high98.4Very high0 Ų024 Ų240%014%0.142CC..Hα-helixtrans-57.8-48.7174.900000111.6L135 L160 F162 A189 L190 W191 K195 A197 L217L135-A193 HydrophobicContact CD1-CB 3.81Å; L160-A193 HydrophobicContact CD1-CB 3.87Å; F162-A193 HydrophobicContact CZ-CB 4.01Å; A189-A193 PolarHBondContact O-N 2.86Å; L190-A193 WeakPolarHBondContact O-CB 3.49Å; L190-A193 PolarHBondContact O-N 3.1Å; W191-A193 VanDerWaalsContact C-N 3.29Å; W191-A193 PolarHBondContact O-N 3.4Å; A193-K195 VanDerWaalsContact C-N 3.32Å; A193-K195 PolarHBondContact O-N 2.94Å; A193-A197 WeakPolarHBondContact O-CB 3.46Å; A193-A197 PolarHBondContact O-N 3.19Å; A193-A197 VanDerWaalsContact O-N 3.11Å; A193-L217 HydrophobicContact CB-CD2 3.66Å
194K98.6Very high98.3Very high51 Ų5128.6 Ų28.622%0.22217%0.173CC..Hα-helixtrans-62.8-39.9175-177.461.1-178.1176.20111.8Y119 L135 E138 H139 L190 W191 I192 A197 S198Y119-K194 HydrophobicContact CD1-CB 4.48Å; Y119-K194 HydrophobicContact CE1-CB 3.63Å; Y119-K194 HydrophobicContact CE1-CG 4.28Å; Y119-K194 HydrophobicContact CE2-CB 4.3Å; Y119-K194 HydrophobicContact CE2-CG 4.03Å; Y119-K194 WeakPolarHBondContact OH-CB 3.47Å; Y119-K194 WeakPolarHBondContact OH-CD 3.31Å; Y119-K194 WeakPolarHBondContact OH-CG 3.47Å; L135-K194 HydrophobicContact CD2-CB 4.09Å; L135-K194 HydrophobicContact CD2-CD 3.43Å; L135-K194 VanDerWaalsContact CD2-CD 3.43Å; L135-K194 HydrophobicContact CD2-CG 4.35Å; E138-K194 IonicContact OE2-NZ 2.61Å; E138-K194 PolarHBondContact OE2-NZ 3.4Å; E138-K194 VanDerWaalsContact OE2-NZ 3.17Å; H139-K194 PolarHBondContact NE2-NZ 2.91Å; H139-K194 VanDerWaalsContact NE2-NZ 3.15Å; L190-K194 PolarHBondContact O-N 3.26Å; W191-K194 PolarHBondContact O-N 2.72Å; I192-K194 PolarHBondContact O-N 3.08Å; K194-A197 PolarHBondContact O-N 3.1Å; K194-S198 WeakPolarHBondContact CD-OG 3.37Å; K194-S198 WeakPolarHBondContact CE-OG 3.33Å; K194-S198 VanDerWaalsContact O-CB 3.28Å; K194-S198 WeakPolarHBondContact O-CB 3.45Å; K194-S198 PolarHBondContact O-N 2.73Å; K194-S198 PolarHBondContact O-OG 2.69Å
195K98.5Very high98.1Very high62 Ų6229.2 Ų29.227%0.2718%0.177SC..Hα-helixtrans-61-49.7180-171.957.7171.3152.70111.4W191 I192 A193 A197 S198 D199 W404W191-K195 HydrophobicContact CE3-CB 4.07Å; W191-K195 HydrophobicContact CH2-CB 4.14Å; W191-K195 HydrophobicContact CH2-CD 3.85Å; W191-K195 HydrophobicContact CH2-CG 3.8Å; W191-K195 HydrophobicContact CZ2-CD 4.29Å; W191-K195 HydrophobicContact CZ3-CB 3.79Å; W191-K195 HydrophobicContact CZ3-CD 4.33Å; W191-K195 HydrophobicContact CZ3-CG 3.77Å; W191-K195 WeakPolarHBondContact O-CB 3.26Å; W191-K195 PolarHBondContact O-N 2.97Å; I192-K195 WeakPolarHBondContact O-CB 3.15Å; I192-K195 PolarHBondContact O-N 2.8Å; A193-K195 VanDerWaalsContact C-N 3.32Å; A193-K195 PolarHBondContact O-N 2.94Å; K195-A197 PolarHBondContact O-N 2.69Å; K195-S198 PolarHBondContact O-N 2.87Å; K195-D199 WeakPolarHBondContact CD-OD2 3.5Å; K195-D199 WeakPolarHBondContact CE-OD2 3.36Å; K195-D199 IonicContact NZ-OD1 3.36Å; K195-D199 PolarHBondContact NZ-OD1 2.91Å; K195-D199 IonicContact NZ-OD2 2.73Å; K195-D199 PolarHBondContact NZ-OD2 3.04Å; K195-D199 WeakPolarHBondContact O-CB 3.43Å; K195-D199 PolarHBondContact O-N 2.91Å; K195-W404 HydrophobicContact CG-CD2 4.31Å; K195-W404 HydrophobicContact CG-CG 4.38Å; K195-W404 HydrophobicContact CG-CZ2 4.5Å
196I98.6Very high98.1Very high1 Ų129.4 Ų29.41%0.00518%0.178CC..Hα-helixtrans-60.2-47.6176.9-64.6165.3000110.7F162 I192 S198 Y200 V206 L210 I215 W404F162-I196 HydrophobicContact CB-CG2 4.15Å; F162-I196 HydrophobicContact CD1-CB 4.09Å; F162-I196 HydrophobicContact CD1-CG2 3.44Å; F162-I196 VanDerWaalsContact CD1-CG2 3.44Å; F162-I196 HydrophobicContact CD2-CG2 4.4Å; F162-I196 HydrophobicContact CE1-CB 4.01Å; F162-I196 HydrophobicContact CE1-CG2 3.9Å; F162-I196 HydrophobicContact CE2-CD1 4.44Å; F162-I196 HydrophobicContact CG-CG2 3.74Å; F162-I196 HydrophobicContact CZ-CB 4.44Å; I192-I196 HydrophobicContact CG2-CD1 3.78Å; I192-I196 HydrophobicContact CG2-CG1 4.27Å; I192-I196 WeakPolarHBondContact O-CG1 3.43Å; I192-I196 PolarHBondContact O-N 3.45Å; I196-S198 VanDerWaalsContact C-N 3.33Å; I196-S198 PolarHBondContact O-N 2.84Å; I196-Y200 PolarHBondContact O-N 2.81Å; I196-V206 HydrophobicContact CG2-CG1 4.46Å; I196-L210 HydrophobicContact CG2-CD1 3.89Å; I196-I215 HydrophobicContact CD1-CD1 4.24Å; I196-I215 HydrophobicContact CD1-CG2 4.49Å; I196-I215 HydrophobicContact CG2-CD1 4.49Å; I196-W404 HydrophobicContact CD1-CH2 4.29Å; I196-W404 HydrophobicContact CD1-CZ3 4.05Å; I196-W404 HydrophobicContact CG1-CH2 3.57Å; I196-W404 HydrophobicContact CG1-CZ2 4.48Å; I196-W404 HydrophobicContact CG1-CZ3 3.74Å
197A98Very high98Very high2 Ų230.6 Ų30.62%0.01719%0.186CC..Hα-helixtrans-62.7-39.2-178.300000112.9H139 V143 F162 A193 K194 K195H139-A197 HydrophobicContact CB-CB 4.2Å; H139-A197 PolarHBondContact CE1-O 3.25Å; H139-A197 PolarHBondContact ND1-O 2.52Å; H139-A197 VanDerWaalsContact ND1-O 3.14Å; V143-A197 HydrophobicContact CG2-CB 3.94Å; F162-A197 HydrophobicContact CE1-CB 4.19Å; A193-A197 WeakPolarHBondContact O-CB 3.46Å; A193-A197 PolarHBondContact O-N 3.19Å; A193-A197 VanDerWaalsContact O-N 3.11Å; K194-A197 PolarHBondContact O-N 3.1Å; K195-A197 PolarHBondContact O-N 2.69Å
198S97.1Very high97.9Very high50 Ų5031.8 Ų31.835%0.3519%0.193SC..Hα-helixtrans-83.2-30.2-175.8-50.70000113.1K194 K195 I196K194-S198 WeakPolarHBondContact CD-OG 3.37Å; K194-S198 WeakPolarHBondContact CE-OG 3.33Å; K194-S198 VanDerWaalsContact O-CB 3.28Å; K194-S198 WeakPolarHBondContact O-CB 3.45Å; K194-S198 PolarHBondContact O-N 2.73Å; K194-S198 PolarHBondContact O-OG 2.69Å; K195-S198 PolarHBondContact O-N 2.87Å; I196-S198 VanDerWaalsContact C-N 3.33Å; I196-S198 PolarHBondContact O-N 2.84Å
199D98.1Very high97.8Very high21 Ų2131.9 Ų31.911%0.11219%0.194CC..Hα-helixtrans-84.7-15.9-177-79.29.5000113.3K195 G201 S202 D203 V206K195-D199 WeakPolarHBondContact CD-OD2 3.5Å; K195-D199 WeakPolarHBondContact CE-OD2 3.36Å; K195-D199 IonicContact NZ-OD1 3.36Å; K195-D199 PolarHBondContact NZ-OD1 2.91Å; K195-D199 IonicContact NZ-OD2 2.73Å; K195-D199 PolarHBondContact NZ-OD2 3.04Å; K195-D199 WeakPolarHBondContact O-CB 3.43Å; K195-D199 PolarHBondContact O-N 2.91Å; D199-G201 PolarHBondContact O-N 3.43Å; D199-S202 WeakPolarHBondContact CA-OG 3.35Å; D199-S202 PolarHBondContact O-N 3.04Å; D199-S202 VanDerWaalsContact O-N 3.07Å; D199-S202 PolarHBondContact O-OG 3.07Å; D199-S202 VanDerWaalsContact O-OG 3.11Å; D199-D203 HydrophobicContact CB-CB 3.86Å; D199-D203 PolarHBondContact O-N 3.38Å; D199-V206 HydrophobicContact CB-CB 4.13Å; D199-V206 HydrophobicContact CB-CG1 4.18Å; D199-V206 HydrophobicContact CB-CG2 3.93Å
200Y97.8Very high97.8Very high70 Ų7031.9 Ų31.928%0.27519%0.194SC..THydrogen-bonded Turntrans-63.3127.3176.4-178.9-101.5000111.3I142 T164 I196 S202 T207 L210 D211I142-Y200 VanDerWaalsContact CD1-CB 3.47Å; I142-Y200 HydrophobicContact CD1-CD1 3.63Å; I142-Y200 HydrophobicContact CD1-CG 3.71Å; I142-Y200 HydrophobicContact CG2-CD1 3.68Å; I142-Y200 HydrophobicContact CG2-CE1 3.66Å; I142-Y200 HydrophobicContact CG2-CG 4.41Å; T164-Y200 HydrophobicContact CG2-CD2 4.4Å; T164-Y200 HydrophobicContact CG2-CE1 4.15Å; T164-Y200 HydrophobicContact CG2-CE2 3.46Å; T164-Y200 VanDerWaalsContact CG2-CE2 3.46Å; T164-Y200 WeakPolarHBondContact CG2-OH 3.32Å; I196-Y200 PolarHBondContact O-N 2.81Å; Y200-S202 VanDerWaalsContact C-N 3.3Å; Y200-T207 HydrophobicContact CD2-CG2 4.36Å; Y200-T207 HydrophobicContact CE2-CG2 3.95Å; Y200-L210 HydrophobicContact CD2-CB 3.78Å; Y200-L210 HydrophobicContact CD2-CD1 3.67Å; Y200-L210 HydrophobicContact CD2-CG 4.25Å; Y200-L210 HydrophobicContact CE2-CB 3.84Å; Y200-L210 HydrophobicContact CE2-CD1 4.47Å; Y200-L210 HydrophobicContact CG-CD1 4.08Å; Y200-D211 PolarHBondContact OH-OD1 3.2Å
201G96.9Very high97.7Very high62 Ų6235.7 Ų35.764%0.63921%0.214SC*.THydrogen-bonded Turntrans87.9-12.7-17500000114.3D199 T207D199-G201 PolarHBondContact O-N 3.43Å; G201-T207 WeakPolarHBondContact CA-OG1 3.47Å; G201-T207 PolarHBondContact N-OG1 3.2Å
202S97.3Very high97.6Very high87 Ų8739.6 Ų39.661%0.60823%0.232SC*.THydrogen-bonded Turntrans-116.8-42.4177.759.90000113.9D199 Y200 P204D199-S202 WeakPolarHBondContact CA-OG 3.35Å; D199-S202 PolarHBondContact O-N 3.04Å; D199-S202 VanDerWaalsContact O-N 3.07Å; D199-S202 PolarHBondContact O-OG 3.07Å; D199-S202 VanDerWaalsContact O-OG 3.11Å; Y200-S202 VanDerWaalsContact C-N 3.3Å; S202-P204 WeakPolarHBondContact O-CD 3.27Å
203D97.8Very high97.6Very high40 Ų4039.8 Ų39.821%0.21423%0.233CC..SBendtrans-87.6118.8173-179.5-88.6000109.1D199 S205 V206 T207 K408D199-D203 HydrophobicContact CB-CB 3.86Å; D199-D203 PolarHBondContact O-N 3.38Å; D203-S205 PolarHBondContact O-N 3.34Å; D203-S205 WeakPolarHBondContact OD1-CA 3.37Å; D203-S205 WeakPolarHBondContact OD1-CB 3.36Å; D203-S205 PolarHBondContact OD1-N 2.73Å; D203-V206 HydrophobicContact CB-CB 4.17Å; D203-V206 HydrophobicContact CB-CG2 4.17Å; D203-V206 PolarHBondContact O-N 3.08Å; D203-V206 PolarHBondContact OD1-N 2.89Å; D203-T207 WeakPolarHBondContact O-CB 3.38Å; D203-T207 PolarHBondContact O-N 2.95Å; D203-T207 PolarHBondContact O-OG1 3.1Å; D203-K408 IonicContact OD1-NZ 3.85Å; D203-K408 PolarHBondContact OD1-NZ 2.79Å; D203-K408 IonicContact OD2-NZ 3.65Å; D203-K408 PolarHBondContact OD2-NZ 3.47Å
204P97.2Very high97.6Very high104 Ų10439.8 Ų39.868%0.67523%0.233SC*.Hα-helixtrans-60-31.8-176.5-26.735.3000113.5S202 S208S202-P204 WeakPolarHBondContact O-CD 3.27Å; P204-S208 VanDerWaalsContact O-CB 3.25Å; P204-S208 WeakPolarHBondContact O-CB 3.24Å; P204-S208 PolarHBondContact O-N 3.11Å; P204-S208 PolarHBondContact O-OG 3.02Å
205S94.7Very high97.6Very high16 Ų1637.4 Ų37.411%0.11222%0.223CC..Hα-helixtrans-76.4-48.4-178.2163.20000111.7D203 T207 S208 L209 K408 E412D203-S205 PolarHBondContact O-N 3.34Å; D203-S205 WeakPolarHBondContact OD1-CA 3.37Å; D203-S205 WeakPolarHBondContact OD1-CB 3.36Å; D203-S205 PolarHBondContact OD1-N 2.73Å; S205-T207 VanDerWaalsContact C-N 3.26Å; S205-T207 PolarHBondContact O-N 2.63Å; S205-S208 PolarHBondContact O-N 2.94Å; S205-S208 PolarHBondContact O-OG 3.22Å; S205-L209 WeakPolarHBondContact O-CB 3.21Å; S205-L209 PolarHBondContact O-N 2.87Å; S205-K408 WeakPolarHBondContact OG-CE 3.44Å; S205-E412 WeakPolarHBondContact CB-OE1 3.19Å; S205-E412 PolarHBondContact OG-OE1 3.27Å
206V97.4Very high97.6Very high3 Ų334.7 Ų34.72%0.01821%0.211CC..Hα-helixtrans-57.3-43.8173.5175.40000110.7I196 D199 D203 L209 L210 W404I196-V206 HydrophobicContact CG2-CG1 4.46Å; D199-V206 HydrophobicContact CB-CB 4.13Å; D199-V206 HydrophobicContact CB-CG1 4.18Å; D199-V206 HydrophobicContact CB-CG2 3.93Å; D203-V206 HydrophobicContact CB-CB 4.17Å; D203-V206 HydrophobicContact CB-CG2 4.17Å; D203-V206 PolarHBondContact O-N 3.08Å; D203-V206 PolarHBondContact OD1-N 2.89Å; V206-L209 PolarHBondContact O-N 3.47Å; V206-L210 HydrophobicContact CG1-CD1 4.3Å; V206-L210 PolarHBondContact O-N 3.08Å; V206-W404 HydrophobicContact CG2-CH2 4.22Å; V206-W404 HydrophobicContact CG2-CZ2 3.6Å
207T98.2Very high97.6Very high26 Ų2634.7 Ų34.716%0.1621%0.211CC..Hα-helixtrans-59.4-53.1177.3-53.10000110.7Y200 G201 D203 S205 L209 L210 D211Y200-T207 HydrophobicContact CD2-CG2 4.36Å; Y200-T207 HydrophobicContact CE2-CG2 3.95Å; G201-T207 WeakPolarHBondContact CA-OG1 3.47Å; G201-T207 PolarHBondContact N-OG1 3.2Å; D203-T207 WeakPolarHBondContact O-CB 3.38Å; D203-T207 PolarHBondContact O-N 2.95Å; D203-T207 PolarHBondContact O-OG1 3.1Å; S205-T207 VanDerWaalsContact C-N 3.26Å; S205-T207 PolarHBondContact O-N 2.63Å; T207-L209 PolarHBondContact O-N 3.3Å; T207-L210 PolarHBondContact O-N 3.44Å; T207-D211 WeakPolarHBondContact O-CB 3.46Å; T207-D211 PolarHBondContact O-N 3.45Å
208S97.1Very high97.7Very high33 Ų3334.6 Ų34.623%0.23121%0.21CC..Hα-helixtrans-63-29.5179.472.90000114.1P204 S205 K212 R415P204-S208 VanDerWaalsContact O-CB 3.25Å; P204-S208 WeakPolarHBondContact O-CB 3.24Å; P204-S208 PolarHBondContact O-N 3.11Å; P204-S208 PolarHBondContact O-OG 3.02Å; S205-S208 PolarHBondContact O-N 2.94Å; S205-S208 PolarHBondContact O-OG 3.22Å; S208-K212 PolarHBondContact O-N 3.43Å; S208-R415 PolarHBondContact OG-NH1 3.31Å
209L97.3Very high97.7Very high3 Ų332.2 Ų32.22%0.01619%0.194CC..Hα-helixtrans-69.4-53.9176.4-178.465.6000109.9I172 S205 V206 T207 D211 K212 M213 I215 M411 R415I172-L209 HydrophobicContact CD1-CD1 3.98Å; S205-L209 WeakPolarHBondContact O-CB 3.21Å; S205-L209 PolarHBondContact O-N 2.87Å; V206-L209 PolarHBondContact O-N 3.47Å; T207-L209 PolarHBondContact O-N 3.3Å; L209-D211 VanDerWaalsContact C-N 3.25Å; L209-D211 PolarHBondContact O-N 3.07Å; L209-K212 PolarHBondContact O-N 3.32Å; L209-M213 HydrophobicContact CD1-SD 4.14Å; L209-M213 PolarHBondContact O-N 3.2Å; L209-I215 HydrophobicContact CD2-CD1 3.74Å; L209-I215 HydrophobicContact CG-CD1 4.37Å; L209-M411 HydrophobicContact CD1-CB 3.98Å; L209-M411 WeakPolarHBondContact CD1-O 3.43Å; L209-M411 HydrophobicContact CD2-CB 3.66Å; L209-M411 HydrophobicContact CD2-CE 4.25Å; L209-M411 HydrophobicContact CD2-CG 4.31Å; L209-M411 HydrophobicContact CD2-SD 3.82Å; L209-M411 HydrophobicContact CG-CB 4.49Å; L209-R415 HydrophobicContact CD1-CB 3.99Å; L209-R415 HydrophobicContact CD1-CG 4.47Å
210L97.9Very high97.8Very high0 Ų031.4 Ų31.40%019%0.19CC..Hα-helixtrans-68.9-22.3179.3-68.4-173.8000113.1F162 T164 R169 I196 Y200 V206 T207 K212 M213 I215F162-L210 HydrophobicContact CB-CD1 4.29Å; F162-L210 HydrophobicContact CB-CD2 3.77Å; T164-L210 HydrophobicContact CG2-CB 3.99Å; T164-L210 WeakPolarHBondContact CG2-O 3.48Å; T164-L210 PolarHBondContact OG1-O 3.36Å; R169-L210 PolarHBondContact NH1-O 2.91Å; R169-L210 PolarHBondContact NH2-O 2.99Å; I196-L210 HydrophobicContact CG2-CD1 3.89Å; Y200-L210 HydrophobicContact CD2-CB 3.78Å; Y200-L210 HydrophobicContact CD2-CD1 3.67Å; Y200-L210 HydrophobicContact CD2-CG 4.25Å; Y200-L210 HydrophobicContact CE2-CB 3.84Å; Y200-L210 HydrophobicContact CE2-CD1 4.47Å; Y200-L210 HydrophobicContact CG-CD1 4.08Å; V206-L210 HydrophobicContact CG1-CD1 4.3Å; V206-L210 PolarHBondContact O-N 3.08Å; T207-L210 PolarHBondContact O-N 3.44Å; L210-K212 VanDerWaalsContact C-N 3.28Å; L210-K212 PolarHBondContact O-N 3.08Å; L210-M213 WeakPolarHBondContact CA-O 3.29Å; L210-I215 HydrophobicContact CD2-CD1 3.73Å; L210-I215 HydrophobicContact CD2-CG1 3.88Å
211D96.9Very high97.8Very high82 Ų8228.2 Ų28.244%0.43918%0.177SC..THydrogen-bonded Turntrans-73.8-16.3171.8-72.2-11.9000113.2R169 Y200 T207 L209R169-D211 PolarHBondContact NH2-O 3.06Å; Y200-D211 PolarHBondContact OH-OD1 3.2Å; T207-D211 WeakPolarHBondContact O-CB 3.46Å; T207-D211 PolarHBondContact O-N 3.45Å; L209-D211 VanDerWaalsContact C-N 3.25Å; L209-D211 PolarHBondContact O-N 3.07Å
212K97Very high97.9Very high118 Ų11825.3 Ų25.351%0.51315%0.147SC..THydrogen-bonded Turntrans-112.3-29.9176-69.9179.7179179.60114.4R169 S208 L209 L210 R415R169-K212 VanDerWaalsContact NH2-CA 3.3Å; R169-K212 PolarHBondContact NH2-O 3.45Å; S208-K212 PolarHBondContact O-N 3.43Å; L209-K212 PolarHBondContact O-N 3.32Å; L210-K212 VanDerWaalsContact C-N 3.28Å; L210-K212 PolarHBondContact O-N 3.08Å; K212-R415 HydrophobicContact CB-CG 4.15Å; K212-R415 HydrophobicContact CD-CG 3.55Å; K212-R415 HydrophobicContact CG-CG 4.45Å
213M98Very high98Very high5 Ų521.2 Ų21.23%0.02512%0.118CC..  trans-134.4155.8-170.5-55.6-173.674.700113R169 P170 I172 L209 L210 L300 V414 R415R169-M213 VanDerWaalsContact NH2-N 3.19Å; P170-M213 HydrophobicContact CB-CE 4.08Å; P170-M213 CarbonylContact O-C 3.3Å; P170-M213 WeakPolarHBondContact O-CA 3.41Å; P170-M213 WeakPolarHBondContact O-CB 3.21Å; I172-M213 HydrophobicContact CD1-CE 4.04Å; I172-M213 HydrophobicContact CD1-SD 3.96Å; I172-M213 HydrophobicContact CG1-CE 3.82Å; I172-M213 HydrophobicContact CG1-SD 4.41Å; L209-M213 HydrophobicContact CD1-SD 4.14Å; L209-M213 PolarHBondContact O-N 3.2Å; L210-M213 WeakPolarHBondContact CA-O 3.29Å; M213-L300 HydrophobicContact CE-CB 4.27Å; M213-L300 HydrophobicContact CE-CD1 4.06Å; M213-L300 HydrophobicContact CE-CG 4.39Å; M213-V414 HydrophobicContact CE-CG1 3.61Å; M213-V414 HydrophobicContact SD-CG1 4.13Å; M213-R415 HydrophobicContact SD-CB 4.07Å
214D98.6Very high98.1Very high0 Ų019.3 Ų19.30%011%0.108CC..EExtended strand (participates in β ladder)trans-89.5148.7165.3-69.6-5.5000109.8K161 F162 S163 R169 P170 A171 I172 F216K161-D214 WeakPolarHBondContact CE-OD2 3.28Å; K161-D214 IonicContact NZ-OD2 3.8Å; K161-D214 PolarHBondContact NZ-OD2 2.98Å; F162-D214 WeakPolarHBondContact O-CA 3.22Å; S163-D214 WeakPolarHBondContact CB-OD1 3.35Å; S163-D214 PolarHBondContact OG-OD1 2.89Å; R169-D214 IonicContact NH1-OD1 2.72Å; P170-D214 PolarHBondContact O-N 3.39Å; A171-D214 CarbonylContact C-O 3.59Å; A171-D214 WeakPolarHBondContact CA-O 3.44Å; A171-D214 HydrophobicContact CB-CB 3.87Å; A171-D214 WeakPolarHBondContact CB-O 3.19Å; I172-D214 PolarHBondContact N-O 3.25Å; D214-F216 HydrophobicContact CB-CE2 4.14Å; D214-F216 HydrophobicContact CB-CZ 4.46Å
215I98.9Very high98.2Very high1 Ų114.3 Ų14.31%0.0058%0.076CC..EExtended strand (participates in β ladder)trans-117.2129.8168.8-55.2173.3000108.6K161 F162 I172 I196 L209 L210 M411K161-I215 CarbonylContact C-O 3.54Å; K161-I215 WeakPolarHBondContact CA-O 3.25Å; F162-I215 HydrophobicContact CB-CB 4.2Å; F162-I215 HydrophobicContact CD2-CB 4.16Å; F162-I215 HydrophobicContact CD2-CG2 4.3Å; F162-I215 PolarHBondContact N-O 3.22Å; F162-I215 PolarHBondContact O-N 3.06Å; I172-I215 HydrophobicContact CB-CG1 4.5Å; I196-I215 HydrophobicContact CD1-CD1 4.24Å; I196-I215 HydrophobicContact CD1-CG2 4.49Å; I196-I215 HydrophobicContact CG2-CD1 4.49Å; L209-I215 HydrophobicContact CD2-CD1 3.74Å; L209-I215 HydrophobicContact CG-CD1 4.37Å; L210-I215 HydrophobicContact CD2-CD1 3.73Å; L210-I215 HydrophobicContact CD2-CG1 3.88Å; I215-M411 HydrophobicContact CD1-SD 4.01Å
216F98.9Very high98.4Very high5 Ų513.6 Ų13.62%0.0227%0.071CC..EExtended strand (participates in β ladder)trans-109.8121.6172.1-66.1-76.5000109.3L146 V159 L160 K161 A171 I172 W173 L174 D214 F292 H296 I299L146-F216 HydrophobicContact CD1-CD1 4.37Å; L146-F216 HydrophobicContact CD1-CE1 3.92Å; V159-F216 HydrophobicContact CG1-CB 3.84Å; V159-F216 HydrophobicContact CG1-CD1 3.91Å; V159-F216 HydrophobicContact CG1-CG 4.37Å; L160-F216 CarbonylContact O-C 3.5Å; L160-F216 WeakPolarHBondContact O-CA 3.45Å; K161-F216 HydrophobicContact CB-CD1 3.89Å; K161-F216 HydrophobicContact CB-CE1 3.73Å; K161-F216 HydrophobicContact CD-CE1 3.68Å; K161-F216 HydrophobicContact CD-CZ 4.05Å; K161-F216 HydrophobicContact CG-CD1 4.08Å; K161-F216 HydrophobicContact CG-CE1 3.55Å; K161-F216 HydrophobicContact CG-CZ 4.15Å; A171-F216 HydrophobicContact CB-CD2 3.87Å; A171-F216 HydrophobicContact CB-CE2 3.63Å; I172-F216 PolarHBondContact O-N 3.17Å; W173-F216 HydrophobicContact CE3-CB 3.83Å; W173-F216 HydrophobicContact CZ3-CB 4.22Å; L174-F216 PolarHBondContact N-O 3.33Å; D214-F216 HydrophobicContact CB-CE2 4.14Å; D214-F216 HydrophobicContact CB-CZ 4.46Å; F216-F292 HydrophobicContact CB-CE1 4.42Å; F216-F292 HydrophobicContact CD1-CE1 4.17Å; F216-F292 AromaticContact CD1-CZ 3.57Å; F216-F292 HydrophobicContact CD1-CZ 3.57Å; F216-F292 HydrophobicContact CD2-CE1 4.12Å; F216-F292 HydrophobicContact CD2-CZ 4.14Å; F216-F292 HydrophobicContact CE1-CE1 4.46Å; F216-F292 HydrophobicContact CE1-CE2 4.42Å; F216-F292 AromaticContact CE1-CZ 3.58Å; F216-F292 HydrophobicContact CE1-CZ 3.58Å; F216-F292 HydrophobicContact CE2-CE1 4.42Å; F216-F292 HydrophobicContact CE2-CZ 4.16Å; F216-F292 AromaticContact CG-CE1 3.97Å; F216-F292 HydrophobicContact CG-CE1 3.97Å; F216-F292 AromaticContact CG-CZ 3.85Å; F216-F292 HydrophobicContact CG-CZ 3.85Å; F216-F292 AromaticContact CZ-CZ 3.89Å; F216-F292 HydrophobicContact CZ-CZ 3.89Å; F216-H296 AromaticContact CE2-CD2 3.81Å; F216-H296 AromaticContact CE2-NE2 3.55Å; F216-H296 AromaticContact CZ-CD2 3.96Å; F216-H296 AromaticContact CZ-NE2 3.89Å; F216-I299 HydrophobicContact CD2-CD1 4.08Å; F216-I299 HydrophobicContact CE2-CD1 4.32Å
217L98.9Very high98.4Very high0 Ų016 Ų160%08%0.081CC..EExtended strand (participates in β ladder)trans-119.9114.1-177.9178.151.8000111.4V159 L160 F162 L174 A189 A193 V219V159-L217 CarbonylContact C-O 3.57Å; V159-L217 WeakPolarHBondContact CA-O 3.28Å; L160-L217 PolarHBondContact N-O 3.03Å; L160-L217 PolarHBondContact O-N 2.91Å; F162-L217 HydrophobicContact CE2-CB 3.9Å; F162-L217 HydrophobicContact CE2-CD2 4.18Å; L174-L217 HydrophobicContact CB-CD1 4Å; L174-L217 HydrophobicContact CD2-CD1 3.74Å; L174-L217 HydrophobicContact CG-CD1 3.61Å; L174-L217 CarbonylContact O-C 3.48Å; L174-L217 VanDerWaalsContact O-CA 3.25Å; L174-L217 WeakPolarHBondContact O-CA 3.39Å; L174-L217 WeakPolarHBondContact O-CD1 3.46Å; A189-L217 HydrophobicContact CB-CD1 4.24Å; A193-L217 HydrophobicContact CB-CD2 3.66Å; L217-V219 HydrophobicContact CD2-CG2 4.32Å; L217-V219 HydrophobicContact CG-CG2 3.98Å
218L98.9Very high98.5Very high1 Ų116.6 Ų16.61%0.0058%0.082CC..EExtended strand (participates in β ladder)trans-98.7100.4171179.255.7000109.6I148 Y158 V159 W173 L174 D175 A176 T221 V289I148-L218 HydrophobicContact CD1-CD2 4.41Å; Y158-L218 WeakPolarHBondContact O-CD1 3.24Å; V159-L218 HydrophobicContact CG2-CB 4.15Å; V159-L218 HydrophobicContact CG2-CD1 4.14Å; W173-L218 HydrophobicContact CH2-CB 3.96Å; W173-L218 HydrophobicContact CH2-CD2 3.99Å; W173-L218 HydrophobicContact CZ2-CB 3.85Å; W173-L218 HydrophobicContact CZ2-CD2 3.78Å; W173-L218 HydrophobicContact CZ2-CG 4.49Å; L174-L218 PolarHBondContact O-N 3.48Å; D175-L218 WeakPolarHBondContact CA-O 3.4Å; D175-L218 HydrophobicContact CB-CB 3.86Å; D175-L218 HydrophobicContact CB-CD2 4.47Å; D175-L218 HydrophobicContact CB-CG 4.44Å; A176-L218 PolarHBondContact N-O 3.43Å; L218-T221 HydrophobicContact CD2-CG2 3.95Å; L218-T221 WeakPolarHBondContact CD2-OG1 3.32Å; L218-V289 HydrophobicContact CD2-CG2 3.85Å
219V98.8Very high98.5Very high0 Ų015.2 Ų15.20%07%0.072CC..SBendtrans-71.2-33.1-173.81770000112.8I128 L132 Q186 A189 L190 L217I128-V219 HydrophobicContact CG2-CB 4.5Å; I128-V219 HydrophobicContact CG2-CG1 3.79Å; L132-V219 HydrophobicContact CD2-CB 4.41Å; L132-V219 HydrophobicContact CD2-CG2 3.84Å; Q186-V219 WeakPolarHBondContact CG-O 3.2Å; A189-V219 HydrophobicContact CB-CB 4.47Å; A189-V219 HydrophobicContact CB-CG1 4.19Å; A189-V219 HydrophobicContact CB-CG2 4.33Å; L190-V219 HydrophobicContact CB-CG1 4.11Å; L217-V219 HydrophobicContact CD2-CG2 4.32Å; L217-V219 HydrophobicContact CG-CG2 3.98Å
220V98.9Very high98.6Very high4 Ų417.2 Ų17.22%0.0248%0.081CC..  trans-131.990.4179.9-168.70000109.5L125 I128 Q186 P223 Y226L125-V220 HydrophobicContact CD1-CB 4.19Å; L125-V220 HydrophobicContact CD1-CG1 3.95Å; L125-V220 HydrophobicContact CD1-CG2 4.03Å; I128-V220 HydrophobicContact CD1-CG2 4.03Å; I128-V220 HydrophobicContact CG2-CG2 4.03Å; Q186-V220 HydrophobicContact CG-CG2 4.15Å; V220-P223 HydrophobicContact CG1-CB 4.18Å; V220-Y226 HydrophobicContact CG1-CD1 4.28Å; V220-Y226 HydrophobicContact CG1-CG 4.09Å
221T98.9Very high98.5Very high3 Ų320 Ų202%0.01810%0.098CC..SBendtrans-68.7-32.6-179-56.20000112.8D175 A176 I178 L218 P223D175-T221 WeakPolarHBondContact CB-OG1 3.14Å; D175-T221 PolarHBondContact OD1-OG1 3.34Å; D175-T221 VanDerWaalsContact OD1-OG1 3.14Å; A176-T221 WeakPolarHBondContact O-CB 3.32Å; A176-T221 PolarHBondContact O-N 3.04Å; A176-T221 PolarHBondContact O-OG1 3.47Å; I178-T221 HydrophobicContact CB-CG2 3.89Å; I178-T221 HydrophobicContact CD1-CG2 4.18Å; I178-T221 HydrophobicContact CG1-CG2 3.78Å; L218-T221 HydrophobicContact CD2-CG2 3.95Å; L218-T221 WeakPolarHBondContact CD2-OG1 3.32Å; T221-P223 WeakPolarHBondContact O-CD 3.17Å
222N98.9Very high98.6Very high1 Ų118.5 Ų18.51%0.0059%0.088CC..  trans-119.677.1178.4178.28.3000111.2G177 I178 D224 G225 Y226 R237 K238G177-N222 WeakPolarHBondContact O-CB 3.2Å; G177-N222 PolarHBondContact O-N 3.28Å; I178-N222 WeakPolarHBondContact O-CB 3.29Å; I178-N222 PolarHBondContact O-ND2 2.61Å; N222-D224 PolarHBondContact O-N 2.8Å; N222-G225 PolarHBondContact O-N 2.86Å; N222-G225 PolarHBondContact OD1-N 3.38Å; N222-Y226 WeakPolarHBondContact O-CB 3.42Å; N222-Y226 PolarHBondContact O-N 2.89Å; N222-R237 PolarHBondContact ND2-O 3.32Å; N222-K238 PolarHBondContact ND2-O 3.35Å
223P98.9Very high98.6Very high0 Ų014.3 Ų14.30%07%0.071CC..Hα-helixtrans-68.8-30.9-172.828.8-36.8000113.4L125 Y129 R155 L157 V220 T221 Y226 E227L125-P223 HydrophobicContact CD1-CB 4.18Å; L125-P223 HydrophobicContact CD2-CB 3.91Å; Y129-P223 WeakPolarHBondContact OH-CB 3.4Å; R155-P223 HydrophobicContact CB-CB 4.23Å; R155-P223 HydrophobicContact CB-CG 4.19Å; L157-P223 HydrophobicContact CD2-CG 3.81Å; V220-P223 HydrophobicContact CG1-CB 4.18Å; T221-P223 WeakPolarHBondContact O-CD 3.17Å; P223-Y226 PolarHBondContact O-N 2.87Å; P223-E227 WeakPolarHBondContact O-CB 3.38Å; P223-E227 PolarHBondContact O-N 3.16Å
224D98.9Very high98.6Very high0 Ų014.5 Ų14.50%07%0.072CC..Hα-helixtrans-70.6-45.3178.8-62.1-11.5000111.4S151 Y152 E153 R155 N222 Y226 F228 R240S151-D224 VanDerWaalsContact CB-CG 3.46Å; S151-D224 VanDerWaalsContact CB-OD1 3.24Å; S151-D224 WeakPolarHBondContact CB-OD1 3.42Å; S151-D224 VanDerWaalsContact CB-OD2 3.29Å; S151-D224 WeakPolarHBondContact CB-OD2 3.42Å; S151-D224 PolarHBondContact OG-OD1 2.87Å; S151-D224 PolarHBondContact OG-OD2 3.18Å; S151-D224 VanDerWaalsContact OG-OD2 3.13Å; Y152-D224 PolarHBondContact N-OD2 2.77Å; E153-D224 WeakPolarHBondContact CB-OD2 3.29Å; E153-D224 HydrophobicContact CG-CB 4.32Å; E153-D224 WeakPolarHBondContact CG-OD2 3.3Å; E153-D224 PolarHBondContact N-OD2 3.19Å; R155-D224 IonicContact CZ-OD1 2.79Å; R155-D224 IonicContact NH1-OD1 2.86Å; R155-D224 PolarHBondContact NH1-OD1 3.13Å; N222-D224 PolarHBondContact O-N 2.8Å; D224-Y226 VanDerWaalsContact C-N 3.31Å; D224-F228 WeakPolarHBondContact O-CB 3.44Å; D224-F228 PolarHBondContact O-N 3.43Å; D224-R240 HydrophobicContact CB-CB 3.78Å; D224-R240 HydrophobicContact CB-CG 3.68Å
225G98.9Very high98.6Very high0 Ų014.8 Ų14.80%07%0.073CC..Hα-helixtrans-60.4-44.2172.300000110.9S180 N222 F228 T229S180-G225 WeakPolarHBondContact CB-O 3.47Å; N222-G225 PolarHBondContact O-N 2.86Å; N222-G225 PolarHBondContact OD1-N 3.38Å; G225-F228 WeakPolarHBondContact O-CB 3.19Å; G225-F228 PolarHBondContact O-N 2.62Å; G225-F228 VanDerWaalsContact O-N 3.13Å; G225-T229 WeakPolarHBondContact O-CG2 3.36Å; G225-T229 PolarHBondContact O-N 2.6Å
226Y98.9Very high98.6Very high1 Ų116.4 Ų16.40%0.0048%0.079CC..Hα-helixtrans-60.3-49.7-179.4-167.6-110.9000111.3H123 L125 I128 S180 W183 Q186 V220 N222 P223 D224 F228 T229 H230H123-Y226 WeakPolarHBondContact O-CE1 3.03Å; H123-Y226 PolarHBondContact O-OH 3.33Å; L125-Y226 HydrophobicContact CB-CD1 4.15Å; L125-Y226 HydrophobicContact CD1-CD1 4.18Å; I128-Y226 HydrophobicContact CD1-CE1 3.67Å; S180-Y226 VanDerWaalsContact CB-N 3.27Å; W183-Y226 AromaticContact CD1-CE2 3.48Å; W183-Y226 VanDerWaalsContact CD1-CE2 3.48Å; W183-Y226 HydrophobicContact CG-CE2 4.09Å; W183-Y226 AromaticContact NE1-CD2 3.91Å; W183-Y226 AromaticContact NE1-CE2 3.57Å; Q186-Y226 HydrophobicContact CB-CE2 4.35Å; Q186-Y226 HydrophobicContact CG-CD2 4.2Å; Q186-Y226 HydrophobicContact CG-CE2 3.94Å; Q186-Y226 VanDerWaalsContact NE2-CD2 3.27Å; V220-Y226 HydrophobicContact CG1-CD1 4.28Å; V220-Y226 HydrophobicContact CG1-CG 4.09Å; N222-Y226 WeakPolarHBondContact O-CB 3.42Å; N222-Y226 PolarHBondContact O-N 2.89Å; P223-Y226 PolarHBondContact O-N 2.87Å; D224-Y226 VanDerWaalsContact C-N 3.31Å; Y226-F228 PolarHBondContact O-N 3.22Å; Y226-T229 PolarHBondContact O-N 3.46Å; Y226-T229 PolarHBondContact O-OG1 2.93Å; Y226-H230 AromaticContact CE1-CD2 3.87Å; Y226-H230 AromaticContact CE1-NE2 3.43Å; Y226-H230 WeakPolarHBondContact CE1-NE2 3.49Å; Y226-H230 AromaticContact CE2-NE2 3.94Å; Y226-H230 AromaticContact CZ-NE2 3.33Å; Y226-H230 VanDerWaalsContact CZ-NE2 3.33Å; Y226-H230 PolarHBondContact O-CD2 3.14Å; Y226-H230 PolarHBondContact O-N 3.27Å; Y226-H230 PolarHBondContact OH-NE2 3.4Å
227E98.8Very high98.6Very high52 Ų5217.6 Ų17.624%0.2438%0.084CC..Hα-helixtrans-58.1-38.4174.9-173.362.4-156.100112.2L125 P223 T229 H230 T231L125-E227 WeakPolarHBondContact CB-OE2 3.4Å; L125-E227 HydrophobicContact CD2-CB 4.42Å; P223-E227 WeakPolarHBondContact O-CB 3.38Å; P223-E227 PolarHBondContact O-N 3.16Å; E227-T229 VanDerWaalsContact C-N 3.31Å; E227-T229 PolarHBondContact O-N 2.85Å; E227-H230 PolarHBondContact O-N 3.35Å; E227-T231 HydrophobicContact CG-CG2 4.46Å; E227-T231 WeakPolarHBondContact O-CG2 3.33Å; E227-T231 PolarHBondContact O-N 3.1Å; E227-T231 VanDerWaalsContact O-N 3.09Å; E227-T231 PolarHBondContact O-OG1 3.38Å; E227-T231 WeakPolarHBondContact OE1-CG2 3.42Å
228F98.8Very high98.6Very high39 Ų3917.8 Ų17.817%0.1718%0.084CC..Hα-helixtrans-65.2-32.9176.6-166.3-100.9000112.7D224 G225 Y226 H230 T231 K232 N233 W236D224-F228 WeakPolarHBondContact O-CB 3.44Å; D224-F228 PolarHBondContact O-N 3.43Å; G225-F228 WeakPolarHBondContact O-CB 3.19Å; G225-F228 PolarHBondContact O-N 2.62Å; G225-F228 VanDerWaalsContact O-N 3.13Å; Y226-F228 PolarHBondContact O-N 3.22Å; F228-H230 VanDerWaalsContact C-N 3.32Å; F228-H230 PolarHBondContact O-N 2.97Å; F228-T231 PolarHBondContact O-N 2.82Å; F228-K232 HydrophobicContact CD1-CB 4.16Å; F228-K232 HydrophobicContact CD2-CB 3.64Å; F228-K232 HydrophobicContact CD2-CG 3.72Å; F228-K232 HydrophobicContact CE1-CB 3.96Å; F228-K232 HydrophobicContact CE2-CB 3.37Å; F228-K232 HydrophobicContact CE2-CD 4.42Å; F228-K232 HydrophobicContact CE2-CG 3.5Å; F228-K232 VanDerWaalsContact CE2-CG 3.5Å; F228-K232 HydrophobicContact CG-CB 4.03Å; F228-K232 HydrophobicContact CZ-CB 3.55Å; F228-K232 HydrophobicContact CZ-CG 4.15Å; F228-K232 WeakPolarHBondContact O-CA 3.35Å; F228-K232 WeakPolarHBondContact O-CB 3.28Å; F228-K232 PolarHBondContact O-N 3.19Å; F228-N233 HydrophobicContact CD1-CB 4.16Å; F228-N233 HydrophobicContact CE1-CB 3.64Å; F228-N233 HydrophobicContact CZ-CB 4.44Å; F228-N233 PolarHBondContact O-N 3.14Å; F228-W236 HydrophobicContact CD1-CB 3.62Å; F228-W236 AromaticContact CD1-CD1 3.92Å; F228-W236 AromaticContact CD1-CD2 3.68Å; F228-W236 HydrophobicContact CD1-CD2 3.68Å; F228-W236 HydrophobicContact CD1-CE3 4.13Å; F228-W236 AromaticContact CD1-CG 3.44Å; F228-W236 HydrophobicContact CD1-CG 3.44Å; F228-W236 VanDerWaalsContact CD1-CG 3.44Å; F228-W236 HydrophobicContact CE1-CB 4.13Å; F228-W236 AromaticContact CE1-CD2 3.71Å; F228-W236 HydrophobicContact CE1-CD2 3.71Å; F228-W236 AromaticContact CE1-CE3 3.65Å; F228-W236 HydrophobicContact CE1-CE3 3.65Å; F228-W236 AromaticContact CE1-CG 3.93Å; F228-W236 HydrophobicContact CE1-CG 3.93Å; F228-W236 HydrophobicContact CE1-CZ3 4.35Å; F228-W236 HydrophobicContact CG-CG 4.46Å
229T98.8Very high98.6Very high5 Ų517.7 Ų17.73%0.0318%0.084CC..Hα-helixtrans-67.7-30.3174.463.20000113.8W183 G225 Y226 E227 N233 R234 W236W183-T229 PolarHBondContact NE1-OG1 2.97Å; G225-T229 WeakPolarHBondContact O-CG2 3.36Å; G225-T229 PolarHBondContact O-N 2.6Å; Y226-T229 PolarHBondContact O-N 3.46Å; Y226-T229 PolarHBondContact O-OG1 2.93Å; E227-T229 VanDerWaalsContact C-N 3.31Å; E227-T229 PolarHBondContact O-N 2.85Å; T229-N233 WeakPolarHBondContact CA-O 3.41Å; T229-R234 WeakPolarHBondContact O-CA 3.38Å; T229-W236 HydrophobicContact CG2-CB 3.98Å; T229-W236 WeakPolarHBondContact CG2-O 3.29Å
230H98Very high98.6Very high44 Ų4419.2 Ų19.220%0.2049%0.09CC..Hα-helixtrans-79.4-31.3176.1-79.8-96.7000112.8H123 W183 Y226 E227 F228H123-H230 PolarHBondContact O-CE1 2.95Å; H123-H230 PolarHBondContact O-NE2 3.24Å; W183-H230 AromaticContact CE2-NE2 3.7Å; W183-H230 AromaticContact CH2-CE1 3.52Å; W183-H230 AromaticContact CH2-ND1 3.78Å; W183-H230 AromaticContact CH2-NE2 3.72Å; W183-H230 AromaticContact CZ2-CD2 3.44Å; W183-H230 VanDerWaalsContact CZ2-CD2 3.44Å; W183-H230 WeakPolarHBondContact CZ2-CD2 3.36Å; W183-H230 AromaticContact CZ2-CE1 3.64Å; W183-H230 AromaticContact CZ2-CG 3.81Å; W183-H230 AromaticContact CZ2-ND1 3.95Å; W183-H230 AromaticContact CZ2-NE2 3.33Å; W183-H230 VanDerWaalsContact CZ2-NE2 3.33Å; W183-H230 WeakPolarHBondContact CZ2-NE2 3.41Å; Y226-H230 AromaticContact CE1-CD2 3.87Å; Y226-H230 AromaticContact CE1-NE2 3.43Å; Y226-H230 WeakPolarHBondContact CE1-NE2 3.49Å; Y226-H230 AromaticContact CE2-NE2 3.94Å; Y226-H230 AromaticContact CZ-NE2 3.33Å; Y226-H230 VanDerWaalsContact CZ-NE2 3.33Å; Y226-H230 PolarHBondContact O-CD2 3.14Å; Y226-H230 PolarHBondContact O-N 3.27Å; Y226-H230 PolarHBondContact OH-NE2 3.4Å; E227-H230 PolarHBondContact O-N 3.35Å; F228-H230 VanDerWaalsContact C-N 3.32Å; F228-H230 PolarHBondContact O-N 2.97Å
231T97.2Very high98.6Very high58 Ų5819.5 Ų19.536%0.3569%0.092SC..Hα-helixtrans-110.2-18.2-166.858.70000115L17 E227 F228L17-T231 WeakPolarHBondContact CD1-O 3.17Å; E227-T231 HydrophobicContact CG-CG2 4.46Å; E227-T231 WeakPolarHBondContact O-CG2 3.33Å; E227-T231 PolarHBondContact O-N 3.1Å; E227-T231 VanDerWaalsContact O-N 3.09Å; E227-T231 PolarHBondContact O-OG1 3.38Å; E227-T231 WeakPolarHBondContact OE1-CG2 3.42Å; F228-T231 PolarHBondContact O-N 2.82Å
232K97.4Very high98.5Very high51 Ų5127.2 Ų27.222%0.22213%0.125CC..THydrogen-bonded Turntrans-139-63.5-170.1-67.2-75.2157.1-95.20113.5L15 L17 E18 F228L15-K232 HydrophobicContact CD2-CD 4.48Å; L17-K232 WeakPolarHBondContact CD1-O 3.39Å; E18-K232 WeakPolarHBondContact CB-O 3.35Å; E18-K232 PolarHBondContact N-O 2.98Å; F228-K232 HydrophobicContact CD1-CB 4.16Å; F228-K232 HydrophobicContact CD2-CB 3.64Å; F228-K232 HydrophobicContact CD2-CG 3.72Å; F228-K232 HydrophobicContact CE1-CB 3.96Å; F228-K232 HydrophobicContact CE2-CB 3.37Å; F228-K232 HydrophobicContact CE2-CD 4.42Å; F228-K232 HydrophobicContact CE2-CG 3.5Å; F228-K232 VanDerWaalsContact CE2-CG 3.5Å; F228-K232 HydrophobicContact CG-CB 4.03Å; F228-K232 HydrophobicContact CZ-CB 3.55Å; F228-K232 HydrophobicContact CZ-CG 4.15Å; F228-K232 WeakPolarHBondContact O-CA 3.35Å; F228-K232 WeakPolarHBondContact O-CB 3.28Å; F228-K232 PolarHBondContact O-N 3.19Å
233N98.1Very high98.4Very high30 Ų3028.4 Ų28.416%0.1613%0.131CC..  trans-140.4104-172.2-179.3-13.4000110.8E18 F20 F228 T229 M235 W236E18-N233 HydrophobicContact CB-CB 4.32Å; E18-N233 HydrophobicContact CG-CB 3.9Å; F20-N233 WeakPolarHBondContact CZ-OD1 3.31Å; F228-N233 HydrophobicContact CD1-CB 4.16Å; F228-N233 HydrophobicContact CE1-CB 3.64Å; F228-N233 HydrophobicContact CZ-CB 4.44Å; F228-N233 PolarHBondContact O-N 3.14Å; T229-N233 WeakPolarHBondContact CA-O 3.41Å; N233-M235 PolarHBondContact O-N 3.14Å; N233-M235 VanDerWaalsContact O-N 3.11Å; N233-M235 WeakPolarHBondContact OD1-CB 3.27Å; N233-M235 PolarHBondContact OD1-N 3.49Å; N233-W236 HydrophobicContact CB-CB 4.41Å; N233-W236 VanDerWaalsContact O-CB 3.28Å; N233-W236 WeakPolarHBondContact O-CB 3.32Å; N233-W236 PolarHBondContact O-N 3.02Å
234R98.4Very high98.2Very high9 Ų937.9 Ų37.93%0.03418%0.176CC..THydrogen-bonded Turntrans-57.9-25.6-178.7-178.560.1-178.779.3-1.8114.2F20 L97 E100 R181 W183 T229 F389 L390F20-R234 HydrophobicContact CE2-CB 4.25Å; L97-R234 HydrophobicContact CD1-CB 4.1Å; L97-R234 HydrophobicContact CD1-CG 3.74Å; L97-R234 HydrophobicContact CD2-CB 4.38Å; E100-R234 WeakPolarHBondContact OE1-CD 3.22Å; E100-R234 IonicContact OE1-CZ 3.76Å; E100-R234 IonicContact OE1-NE 2.72Å; E100-R234 PolarHBondContact OE1-NE 2.95Å; E100-R234 IonicContact OE1-NH2 3.39Å; E100-R234 IonicContact OE2-CZ 3.72Å; E100-R234 IonicContact OE2-NE 3.8Å; E100-R234 PolarHBondContact OE2-NE 2.8Å; E100-R234 IonicContact OE2-NH2 3.13Å; E100-R234 PolarHBondContact OE2-NH2 3.07Å; R181-R234 WeakPolarHBondContact CB-O 3.49Å; R181-R234 PolarHBondContact O-NH1 3.34Å; W183-R234 VanDerWaalsContact CD2-CZ 3.41Å; W183-R234 VanDerWaalsContact CZ2-CD 3.44Å; T229-R234 WeakPolarHBondContact O-CA 3.38Å; R234-F389 PolarHBondContact NH2-O 3.38Å; R234-L390 HydrophobicContact CG-CD2 3.92Å
235M98.3Very high98Very high6 Ų642.2 Ų42.23%0.0322%0.22CC..THydrogen-bonded Turntrans-91.13.6-178.7-62.3-64.6102.400113.4F20 W53 L93 R181 N233 R237 L390F20-M235 HydrophobicContact CD1-CG 4.33Å; F20-M235 HydrophobicContact CE1-CB 4.22Å; F20-M235 HydrophobicContact CE1-CG 3.6Å; F20-M235 HydrophobicContact CE2-CG 4.33Å; F20-M235 HydrophobicContact CZ-CB 4.13Å; F20-M235 HydrophobicContact CZ-CG 3.61Å; W53-M235 HydrophobicContact CZ2-SD 3.55Å; W53-M235 VanDerWaalsContact CZ2-SD 3.55Å; L93-M235 HydrophobicContact CD2-CG 4.33Å; L93-M235 HydrophobicContact CD2-SD 4.08Å; R181-M235 WeakPolarHBondContact CD-O 3.29Å; R181-M235 PolarHBondContact NH1-O 3.39Å; N233-M235 PolarHBondContact O-N 3.14Å; N233-M235 VanDerWaalsContact O-N 3.11Å; N233-M235 WeakPolarHBondContact OD1-CB 3.27Å; N233-M235 PolarHBondContact OD1-N 3.49Å; M235-R237 PolarHBondContact O-N 3.11Å; M235-L390 HydrophobicContact CE-CD1 4.47Å; M235-L390 HydrophobicContact CE-CD2 3.92Å; M235-L390 HydrophobicContact CE-CG 4.12Å
236W98.7Very high97.8Very high36 Ų3644 Ų4414%0.13623%0.233CC..  trans-64.5133.8178.2-169.5-97.2000111.9S180 R181 F228 T229 N233 K238 T239 R240 I249S180-W236 PolarHBondContact OG-O 3.48Å; R181-W236 VanDerWaalsContact CB-O 3.28Å; R181-W236 WeakPolarHBondContact CB-O 3.22Å; R181-W236 PolarHBondContact N-O 3.2Å; F228-W236 HydrophobicContact CD1-CB 3.62Å; F228-W236 AromaticContact CD1-CD1 3.92Å; F228-W236 AromaticContact CD1-CD2 3.68Å; F228-W236 HydrophobicContact CD1-CD2 3.68Å; F228-W236 HydrophobicContact CD1-CE3 4.13Å; F228-W236 AromaticContact CD1-CG 3.44Å; F228-W236 HydrophobicContact CD1-CG 3.44Å; F228-W236 VanDerWaalsContact CD1-CG 3.44Å; F228-W236 HydrophobicContact CE1-CB 4.13Å; F228-W236 AromaticContact CE1-CD2 3.71Å; F228-W236 HydrophobicContact CE1-CD2 3.71Å; F228-W236 AromaticContact CE1-CE3 3.65Å; F228-W236 HydrophobicContact CE1-CE3 3.65Å; F228-W236 AromaticContact CE1-CG 3.93Å; F228-W236 HydrophobicContact CE1-CG 3.93Å; F228-W236 HydrophobicContact CE1-CZ3 4.35Å; F228-W236 HydrophobicContact CG-CG 4.46Å; T229-W236 HydrophobicContact CG2-CB 3.98Å; T229-W236 WeakPolarHBondContact CG2-O 3.29Å; N233-W236 HydrophobicContact CB-CB 4.41Å; N233-W236 VanDerWaalsContact O-CB 3.28Å; N233-W236 WeakPolarHBondContact O-CB 3.32Å; N233-W236 PolarHBondContact O-N 3.02Å; W236-K238 VanDerWaalsContact CD1-O 3.31Å; W236-K238 HydrophobicContact CZ2-CB 4.17Å; W236-K238 PolarHBondContact NE1-O 3.47Å; W236-T239 WeakPolarHBondContact CZ2-O 3.45Å; W236-T239 PolarHBondContact NE1-O 3.27Å; W236-R240 VanDerWaalsContact CH2-NH1 3.33Å; W236-I249 HydrophobicContact CH2-CB 4.09Å; W236-I249 HydrophobicContact CH2-CG2 4.46Å; W236-I249 VanDerWaalsContact CH2-O 3.31Å; W236-I249 WeakPolarHBondContact CH2-O 3.39Å; W236-I249 HydrophobicContact CZ2-CB 4.35Å; W236-I249 HydrophobicContact CZ2-CG2 4.24Å; W236-I249 WeakPolarHBondContact CZ2-O 3.44Å
237R98.5Very high97.6Very high30 Ų3052.4 Ų52.411%0.11328%0.277CS..  trans-109.6-47.8-177.3-179.8-176175.283.6-11.9112.6H179 S180 E182 N222 M235 D252H179-R237 WeakPolarHBondContact CA-O 3.01Å; H179-R237 HydrophobicContact CB-CG 3.88Å; H179-R237 PolarHBondContact CE1-NH2 2.85Å; H179-R237 VanDerWaalsContact CG-CZ 3.42Å; H179-R237 VanDerWaalsContact CG-NH1 3.3Å; H179-R237 PolarHBondContact ND1-NH1 3.4Å; H179-R237 PolarHBondContact ND1-NH2 3.41Å; H179-R237 PolarHBondContact NE2-NH2 3.5Å; H179-R237 VanDerWaalsContact NE2-NH2 3.18Å; S180-R237 PolarHBondContact N-O 3.4Å; S180-R237 VanDerWaalsContact N-O 3.12Å; S180-R237 VanDerWaalsContact OG-C 3.31Å; S180-R237 PolarHBondContact OG-O 2.88Å; S180-R237 VanDerWaalsContact OG-O 3.05Å; E182-R237 IonicContact OE1-NH1 4Å; E182-R237 PolarHBondContact OE1-NH1 3.17Å; N222-R237 PolarHBondContact ND2-O 3.32Å; M235-R237 PolarHBondContact O-N 3.11Å; R237-D252 IonicContact NE-OD2 3.47Å; R237-D252 PolarHBondContact NE-OD2 3.03Å; R237-D252 IonicContact NH2-OD2 2.81Å
238K98.8Very high97.5Very high3 Ų351.7 Ų51.71%0.01328%0.277CS..SBendtrans-72.3176.7-166-66.3-164.5-67.6175.10114.1N222 W236 I249 G250 V251 P270 S272N222-K238 PolarHBondContact ND2-O 3.35Å; W236-K238 VanDerWaalsContact CD1-O 3.31Å; W236-K238 HydrophobicContact CZ2-CB 4.17Å; W236-K238 PolarHBondContact NE1-O 3.47Å; K238-I249 VanDerWaalsContact CE-O 3.3Å; K238-I249 WeakPolarHBondContact CE-O 3.39Å; K238-I249 PolarHBondContact NZ-O 2.9Å; K238-G250 WeakPolarHBondContact CD-O 3.46Å; K238-G250 WeakPolarHBondContact CE-O 3.42Å; K238-G250 PolarHBondContact NZ-O 2.81Å; K238-V251 WeakPolarHBondContact CA-O 3.39Å; K238-V251 VanDerWaalsContact CB-O 3.26Å; K238-V251 WeakPolarHBondContact CB-O 3.37Å; K238-P270 PolarHBondContact NZ-O 2.81Å; K238-S272 WeakPolarHBondContact CD-O 3.43Å; K238-S272 WeakPolarHBondContact CE-O 3.37Å; K238-S272 PolarHBondContact NZ-O 3.09Å
239T98.9Very high97.5Very high0 Ų052.3 Ų52.30%028%0.282CS..  trans-65.6-177.4163.664.70000111.1W236 S241 G250 V251 P253 E283W236-T239 WeakPolarHBondContact CZ2-O 3.45Å; W236-T239 PolarHBondContact NE1-O 3.27Å; T239-S241 PolarHBondContact OG1-OG 2.82Å; T239-G250 WeakPolarHBondContact O-CA 3.42Å; T239-V251 PolarHBondContact N-O 3.25Å; T239-V251 PolarHBondContact OG1-N 2.94Å; T239-V251 PolarHBondContact OG1-O 3.1Å; T239-P253 HydrophobicContact CG2-CB 3.93Å; T239-P253 HydrophobicContact CG2-CG 4.2Å; T239-E283 WeakPolarHBondContact CB-OE2 3.44Å; T239-E283 HydrophobicContact CG2-CB 4.22Å; T239-E283 HydrophobicContact CG2-CG 3.96Å; T239-E283 PolarHBondContact OG1-OE2 3.32Å
240R98.8Very high97.5Very high32 Ų3252 Ų5212%0.12128%0.28CS..  trans-114.618.9176.3-65.7-63-59.5165.1-1.3113.8Y152 E153 D224 W236Y152-R240 WeakPolarHBondContact CD1-O 3.28Å; E153-R240 HydrophobicContact CG-CB 4.28Å; D224-R240 HydrophobicContact CB-CB 3.78Å; D224-R240 HydrophobicContact CB-CG 3.68Å; W236-R240 VanDerWaalsContact CH2-NH1 3.33Å
241S98.6Very high97.5Very high10 Ų1050 Ų507%0.0727%0.271CS..PPolyproline II helixtrans-62.5138.117859.40000112.2T239 I249 G250 E283T239-S241 PolarHBondContact OG1-OG 2.82Å; S241-I249 WeakPolarHBondContact O-CG2 3.43Å; S241-G250 PolarHBondContact O-N 3.48Å; S241-E283 VanDerWaalsContact CB-OE2 3.29Å; S241-E283 WeakPolarHBondContact CB-OE2 3.4Å; S241-E283 PolarHBondContact OG-OE2 3.33Å
242K98.3Very high97.6Very high165 Ų16547.3 Ų47.372%0.71725%0.254SS*.BIsolated β-bridgetrans-81.1130.5172.9-62.8179.5179.6177.70109.8Y152Y152-K242 HydrophobicContact CE1-CG 4.11Å; Y152-K242 WeakPolarHBondContact OH-CB 3.28Å; Y152-K242 WeakPolarHBondContact OH-CG 3.44Å; Y152-K242 PolarHBondContact OH-N 3.27Å
243I96.8Very high97.7Very high26 Ų2644.9 Ų44.913%0.13324%0.244CC..PPolyproline II helixtrans-97.7122.8-177.5-56.4167.1000108.8G245 S246 P270 Y275I243-G245 PolarHBondContact O-N 3.18Å; I243-S246 PolarHBondContact O-N 2.83Å; I243-P270 HydrophobicContact CD1-CB 3.77Å; I243-P270 HydrophobicContact CG2-CB 4.21Å; I243-P270 HydrophobicContact CG2-CG 4.22Å; I243-Y275 HydrophobicContact CD1-CD1 3.73Å; I243-Y275 HydrophobicContact CD1-CE1 3.49Å; I243-Y275 VanDerWaalsContact CD1-CE1 3.49Å; I243-Y275 HydrophobicContact CG1-CE1 4.14Å; I243-Y275 HydrophobicContact CG2-CE1 4.44Å
244Q94Very high97.7Very high199 Ų19944.5 Ų44.593%0.9324%0.242SC*.THydrogen-bonded Turntrans-61.7126.1-179.3-174.3177.4-1.400110.8S246Q244-S246 VanDerWaalsContact C-N 3.33Å
245G94.5Very high97.7Very high91 Ų9144.4 Ų44.494%0.93824%0.241SC*.THydrogen-bonded Turntrans78.79.5178.700000115.2I243I243-G245 PolarHBondContact O-N 3.18Å
246S95.6Very high97.7Very high38 Ų3844.1 Ų44.127%0.26624%0.24SC..  trans-126.2150.3173.8-172.90000111.4I243 Q244 C248 P270I243-S246 PolarHBondContact O-N 2.83Å; Q244-S246 VanDerWaalsContact C-N 3.33Å; S246-C248 VanDerWaalsContact C-N 3.33Å; S246-C248 PolarHBondContact OG-N 3.39Å; S246-C248 VanDerWaalsContact OG-N 3.11Å; S246-P270 WeakPolarHBondContact OG-CB 3.34Å
247L95.1Very high97.8Very high176 Ų17642.5 Ų42.592%0.92123%0.234SC*.SBendtrans-82.5-15.5168.5-64.1176.7000112.2
248C96.1Very high97.8Very high37 Ų3745.9 Ų45.925%0.2525%0.254CS..  trans-79.6152.1179.4-67.70000111.3S246 P270 C271S246-C248 VanDerWaalsContact C-N 3.33Å; S246-C248 PolarHBondContact OG-N 3.39Å; S246-C248 VanDerWaalsContact OG-N 3.11Å; C248-P270 HydrophobicContact CB-CB 4.28Å; C248-C271 HydrophobicContact CB-CB 3.89Å; C248-C271 WeakPolarHBondContact CB-SG 3.36Å; C248-C271 WeakPolarHBondContact SG-CA 3.48Å; C248-C271 WeakPolarHBondContact SG-CB 3.45Å; C248-C271 CovalentContact SG-SG 2.03Å; C248-C271 PolarHBondContact SG-SG 3.39Å
249I98.3Very high97.8Very high52 Ų5245.8 Ų45.827%0.26725%0.254SS..BIsolated β-bridgetrans-121142.4-170.9-59.2174.1000109.2W236 K238 S241W236-I249 HydrophobicContact CH2-CB 4.09Å; W236-I249 HydrophobicContact CH2-CG2 4.46Å; W236-I249 VanDerWaalsContact CH2-O 3.31Å; W236-I249 WeakPolarHBondContact CH2-O 3.39Å; W236-I249 HydrophobicContact CZ2-CB 4.35Å; W236-I249 HydrophobicContact CZ2-CG2 4.24Å; W236-I249 WeakPolarHBondContact CZ2-O 3.44Å; K238-I249 VanDerWaalsContact CE-O 3.3Å; K238-I249 WeakPolarHBondContact CE-O 3.39Å; K238-I249 PolarHBondContact NZ-O 2.9Å; S241-I249 WeakPolarHBondContact O-CG2 3.43Å
250G98.6Very high97.7Very high0 Ų047.4 Ų47.40%027%0.271CS..  trans82.3152.3167.500000114.6K238 T239 S241K238-G250 WeakPolarHBondContact CD-O 3.46Å; K238-G250 WeakPolarHBondContact CE-O 3.42Å; K238-G250 PolarHBondContact NZ-O 2.81Å; T239-G250 WeakPolarHBondContact O-CA 3.42Å; S241-G250 PolarHBondContact O-N 3.48Å
251V98.9Very high97.7Very high1 Ų148 Ų481%0.00627%0.274CS..  trans-112.3148.6175.2171.20000108.1K238 T239 P253 N256 Y275 R276 E283K238-V251 WeakPolarHBondContact CA-O 3.39Å; K238-V251 VanDerWaalsContact CB-O 3.26Å; K238-V251 WeakPolarHBondContact CB-O 3.37Å; T239-V251 PolarHBondContact N-O 3.25Å; T239-V251 PolarHBondContact OG1-N 2.94Å; T239-V251 PolarHBondContact OG1-O 3.1Å; V251-P253 WeakPolarHBondContact O-CD 3.03Å; V251-N256 HydrophobicContact CG1-CB 4Å; V251-Y275 HydrophobicContact CB-CD1 4.42Å; V251-Y275 WeakPolarHBondContact CG1-O 3.34Å; V251-Y275 HydrophobicContact CG2-CD1 3.79Å; V251-Y275 HydrophobicContact CG2-CE1 3.78Å; V251-R276 VanDerWaalsContact CG1-C 3.49Å; V251-R276 WeakPolarHBondContact CG1-O 3.49Å; V251-E283 HydrophobicContact CB-CG 3.67Å; V251-E283 WeakPolarHBondContact CB-OE2 3.47Å; V251-E283 HydrophobicContact CG1-CG 3.71Å; V251-E283 VanDerWaalsContact CG2-CD 3.46Å; V251-E283 HydrophobicContact CG2-CG 4.27Å; V251-E283 VanDerWaalsContact CG2-OE1 3.28Å; V251-E283 WeakPolarHBondContact CG2-OE1 3.48Å
252D98.8Very high97.7Very high1 Ų149.2 Ų49.21%0.00529%0.289CS..  trans-68.2108.8166.4-174.7-29.8000108.2H179 R237 N254 R255 N256 D273 Y275H179-D252 IonicContact CD2-OD1 2.8Å; H179-D252 IonicContact NE2-OD1 3.86Å; H179-D252 PolarHBondContact NE2-OD1 2.9Å; H179-D252 VanDerWaalsContact NE2-OD1 3.1Å; R237-D252 IonicContact NE-OD2 3.47Å; R237-D252 PolarHBondContact NE-OD2 3.03Å; R237-D252 IonicContact NH2-OD2 2.81Å; D252-N254 PolarHBondContact O-N 2.91Å; D252-N254 VanDerWaalsContact O-N 3.16Å; D252-N254 WeakPolarHBondContact OD1-CA 3.48Å; D252-N254 PolarHBondContact OD1-N 3.18Å; D252-R255 HydrophobicContact CB-CB 4Å; D252-R255 HydrophobicContact CB-CG 3.81Å; D252-R255 PolarHBondContact O-N 3.42Å; D252-R255 PolarHBondContact OD1-N 2.72Å; D252-N256 PolarHBondContact O-N 3.41Å; D252-D273 WeakPolarHBondContact CB-O 3.43Å; D252-Y275 PolarHBondContact N-O 3.4Å
253P98.9Very high97.6Very high1 Ų142.6 Ų42.61%0.00627%0.267CS..THydrogen-bonded Turntrans-66-17.4-176.726.7-31.8000112.9I178 T239 V251 W257 V286I178-P253 HydrophobicContact CD1-CB 4.18Å; I178-P253 HydrophobicContact CG1-CB 3.7Å; I178-P253 HydrophobicContact CG1-CG 3.75Å; I178-P253 WeakPolarHBondContact O-CG 3.45Å; T239-P253 HydrophobicContact CG2-CB 3.93Å; T239-P253 HydrophobicContact CG2-CG 4.2Å; V251-P253 WeakPolarHBondContact O-CD 3.03Å; P253-W257 PolarHBondContact O-NE1 2.91Å; P253-V286 HydrophobicContact CB-CG2 4.08Å; P253-V286 WeakPolarHBondContact O-CG2 3.47Å
254N98.8Very high97.5Very high22 Ų2245 Ų4512%0.11828%0.284CS..THydrogen-bonded Turntrans-101.122.1173.5-155.926.2000113I178 H179 D252 H306 G362 G363 S364I178-N254 HydrophobicContact CD1-CB 4.47Å; H179-N254 WeakPolarHBondContact NE2-CB 3.36Å; D252-N254 PolarHBondContact O-N 2.91Å; D252-N254 VanDerWaalsContact O-N 3.16Å; D252-N254 WeakPolarHBondContact OD1-CA 3.48Å; D252-N254 PolarHBondContact OD1-N 3.18Å; N254-H306 PolarHBondContact ND2-NE2 3.37Å; N254-G362 CarbonylContact C-O 3.58Å; N254-G363 WeakPolarHBondContact OD1-CA 3.14Å; N254-S364 PolarHBondContact OD1-N 3.28Å; N254-S364 PolarHBondContact OD1-OG 2.84Å
255R98.8Very high97.5Very high7 Ų737.1 Ų37.13%0.02626%0.257CS..SBendtrans-122.80.1162.1-61.6-61.3-176.3-86.5-3.5112.7D252 G265 A266 R276 Y358 S361 G362D252-R255 HydrophobicContact CB-CB 4Å; D252-R255 HydrophobicContact CB-CG 3.81Å; D252-R255 PolarHBondContact O-N 3.42Å; D252-R255 PolarHBondContact OD1-N 2.72Å; R255-G265 PolarHBondContact NE-O 3.37Å; R255-A266 HydrophobicContact CB-CB 4.1Å; R255-A266 HydrophobicContact CG-CB 4.06Å; R255-R276 HydrophobicContact CB-CB 4.17Å; R255-Y358 PolarHBondContact NH2-OH 2.88Å; R255-S361 WeakPolarHBondContact CD-O 3.43Å; R255-G362 CarbonylContact C-O 3.56Å; R255-G362 VanDerWaalsContact CA-O 3.24Å; R255-G362 WeakPolarHBondContact CA-O 3.36Å; R255-G362 PolarHBondContact N-O 2.83Å
256N98.9Very high97.5Very high0 Ų034 Ų340%022%0.222CC..  trans-95.9-4.2-171.5-163.7-114.8000113.7V251 D252 R276 S279 A280 N281 S282 E283 V286 G362V251-N256 HydrophobicContact CG1-CB 4Å; D252-N256 PolarHBondContact O-N 3.41Å; N256-R276 PolarHBondContact ND2-O 3.11Å; N256-S279 PolarHBondContact ND2-O 2.95Å; N256-S279 VanDerWaalsContact ND2-O 3.13Å; N256-A280 CarbonylContact O-C 3.56Å; N256-A280 WeakPolarHBondContact O-CA 3.12Å; N256-N281 PolarHBondContact O-N 2.99Å; N256-N281 VanDerWaalsContact OD1-CA 3.26Å; N256-N281 WeakPolarHBondContact OD1-CA 3.36Å; N256-N281 PolarHBondContact OD1-N 2.82Å; N256-S282 PolarHBondContact ND2-OG 2.96Å; N256-S282 PolarHBondContact OD1-N 3.45Å; N256-S282 PolarHBondContact OD1-OG 3.28Å; N256-E283 HydrophobicContact CB-CG 4.25Å; N256-E283 PolarHBondContact OD1-N 2.8Å; N256-V286 HydrophobicContact CB-CG2 4.39Å; N256-G362 PolarHBondContact N-O 2.92Å
257W98.9Very high97.6Very high1 Ų133.5 Ų33.50%0.00422%0.219CC..SBendtrans-78.7154.6-176.8-5872.9000111.8I178 P253 A259 V286 V289 V290 F302 G362 S364 W367I178-W257 HydrophobicContact CD1-CZ2 4.06Å; P253-W257 PolarHBondContact O-NE1 2.91Å; W257-A259 PolarHBondContact O-N 3.49Å; W257-V286 HydrophobicContact CD2-CG1 3.66Å; W257-V286 HydrophobicContact CE3-CG1 4Å; W257-V286 HydrophobicContact CG-CG1 4.07Å; W257-V286 HydrophobicContact CH2-CG1 4.4Å; W257-V286 HydrophobicContact CZ2-CG1 4.06Å; W257-V286 HydrophobicContact CZ2-CG2 4.39Å; W257-V286 HydrophobicContact CZ3-CG1 4.36Å; W257-V289 HydrophobicContact CH2-CB 3.99Å; W257-V289 HydrophobicContact CH2-CG1 3.74Å; W257-V289 HydrophobicContact CZ3-CG1 4.35Å; W257-V290 HydrophobicContact CE3-CG2 3.75Å; W257-V290 HydrophobicContact CZ3-CG2 3.59Å; W257-F302 HydrophobicContact CH2-CE2 4.35Å; W257-F302 HydrophobicContact CH2-CZ 4.09Å; W257-G362 WeakPolarHBondContact CB-O 3.43Å; W257-G362 VanDerWaalsContact CD1-O 3.22Å; W257-G362 PolarHBondContact N-O 3.39Å; W257-G362 WeakPolarHBondContact O-CA 3.41Å; W257-S364 VanDerWaalsContact CE2-CB 3.42Å; W257-W367 HydrophobicContact CB-CB 3.86Å; W257-W367 HydrophobicContact CB-CG 4.36Å; W257-W367 HydrophobicContact CE3-CB 4.11Å; W257-W367 AromaticContact CE3-CD2 3.56Å; W257-W367 HydrophobicContact CE3-CD2 3.56Å; W257-W367 AromaticContact CE3-CE3 3.4Å; W257-W367 HydrophobicContact CE3-CE3 3.4Å; W257-W367 AromaticContact CE3-CG 3.86Å; W257-W367 HydrophobicContact CE3-CG 3.86Å; W257-W367 HydrophobicContact CE3-CZ3 4.11Å; W257-W367 HydrophobicContact CH2-CE3 4.5Å; W257-W367 AromaticContact CZ3-CD2 3.91Å; W257-W367 HydrophobicContact CZ3-CD2 3.91Å; W257-W367 AromaticContact CZ3-CE3 3.32Å; W257-W367 HydrophobicContact CZ3-CE3 3.32Å; W257-W367 HydrophobicContact CZ3-CH2 4.31Å; W257-W367 AromaticContact CZ3-CZ3 3.56Å; W257-W367 HydrophobicContact CZ3-CZ3 3.56Å
258D98.8Very high97.6Very high101 Ų10129.4 Ų29.454%0.5421%0.205SC..SBendtrans-80.860.2-178.8-164.820.6000112.3A280D258-A280 HydrophobicContact CB-CB 3.8Å
259A98.6Very high97.6Very high2 Ų230.3 Ų30.32%0.01721%0.207CC..SBendtrans-14197.6177.400000110.1W257 F261 Y318 G362 D366 W367W257-A259 PolarHBondContact O-N 3.49Å; A259-F261 PolarHBondContact O-N 2.87Å; A259-Y318 HydrophobicContact CB-CD1 4.35Å; A259-Y318 HydrophobicContact CB-CE1 4.36Å; A259-G362 VanDerWaalsContact O-CA 3.28Å; A259-G362 WeakPolarHBondContact O-CA 3.4Å; A259-G362 PolarHBondContact O-N 2.91Å; A259-D366 HydrophobicContact CB-CB 3.73Å; A259-W367 HydrophobicContact CB-CB 3.89Å
260G98.3Very high97.5Very high34 Ų3429.3 Ų29.335%0.35120%0.204SC..SBendtrans62.621.7-172.100000113.7G262 G263 S361G260-G262 PolarHBondContact O-N 3.41Å; G260-G263 PolarHBondContact O-N 3.43Å; G260-S361 VanDerWaalsContact O-CB 3.25Å; G260-S361 WeakPolarHBondContact O-CB 3.32Å
261F98.7Very high97.3Very high44 Ų4431.7 Ų31.719%0.19322%0.22CC..THydrogen-bonded Turntrans-46.7124.2-173177.6-99000113.1A259 G263 R276 S279 A280A259-F261 PolarHBondContact O-N 2.87Å; F261-G263 VanDerWaalsContact C-N 3.29Å; F261-R276 HydrophobicContact CE2-CB 3.97Å; F261-R276 HydrophobicContact CE2-CG 4.13Å; F261-R276 VanDerWaalsContact CE2-O 3.28Å; F261-R276 WeakPolarHBondContact CE2-O 3.27Å; F261-R276 HydrophobicContact CZ-CB 4.29Å; F261-R276 HydrophobicContact CZ-CG 3.92Å; F261-S279 VanDerWaalsContact CZ-CA 3.47Å; F261-A280 HydrophobicContact CB-CB 4.02Å; F261-A280 HydrophobicContact CD1-CB 4.1Å; F261-A280 HydrophobicContact CD2-CB 3.85Å; F261-A280 HydrophobicContact CE2-CB 4.36Å; F261-A280 HydrophobicContact CG-CB 3.72Å; F261-A280 VanDerWaalsContact CZ-N 3.32Å
262G97.1Very high97.1Very high36 Ų3632.7 Ų32.737%0.37123%0.227SC..THydrogen-bonded Turntrans79.75.5-177.800000115.9G260G260-G262 PolarHBondContact O-N 3.41Å
263G97.4Very high96.9Very high26 Ų2635.2 Ų35.227%0.26824%0.241SC..SBendtrans-72-175.4165.500000113.1G260 F261 S361G260-G263 PolarHBondContact O-N 3.43Å; F261-G263 VanDerWaalsContact C-N 3.29Å; G263-S361 PolarHBondContact N-OG 3.27Å; G263-S361 PolarHBondContact O-OG 3.22Å
264P94.9Very high96.8Very high75 Ų7536 Ų3649%0.48725%0.246SC..THydrogen-bonded Turntrans-54.3152-179.9-24.734.3000113.7A266 Q359 S361P264-A266 VanDerWaalsContact C-N 3.35Å; P264-Q359 HydrophobicContact CB-CG 4.33Å; P264-S361 VanDerWaalsContact O-CB 3.3Å; P264-S361 WeakPolarHBondContact O-CB 3.43Å; P264-S361 PolarHBondContact O-N 3.46Å; P264-S361 PolarHBondContact O-OG 3.47Å
265G92.9Very high96.8Very high35 Ų3535.8 Ų35.836%0.36124%0.244SC..THydrogen-bonded Turntrans81.210.9179.300000115.4R255 Q359R255-G265 PolarHBondContact NE-O 3.37Å; G265-Q359 VanDerWaalsContact CA-O 3.25Å; G265-Q359 WeakPolarHBondContact CA-O 3.3Å
266A96Very high96.7Very high25 Ų2538.8 Ų38.821%0.20726%0.255CS..SBendtrans-133145.8169.400000109.9R255 P264 R276 S361R255-A266 HydrophobicContact CB-CB 4.1Å; R255-A266 HydrophobicContact CG-CB 4.06Å; P264-A266 VanDerWaalsContact C-N 3.35Å; A266-R276 HydrophobicContact CB-CB 3.99Å; A266-S361 WeakPolarHBondContact CB-OG 3.39Å
267S95.8Very high96.7Very high28 Ų2838.8 Ų38.820%0.19626%0.255CS..BIsolated β-bridgetrans-93.2146.2179.2-174.40000112N269 S272 S274 Y275 R276S267-N269 WeakPolarHBondContact OG-CB 3.44Å; S267-N269 PolarHBondContact OG-N 3.09Å; S267-N269 VanDerWaalsContact OG-N 3.07Å; S267-S272 VanDerWaalsContact CB-CB 3.46Å; S267-S272 VanDerWaalsContact CB-OG 3.29Å; S267-S272 WeakPolarHBondContact CB-OG 3.48Å; S267-S272 WeakPolarHBondContact OG-CB 3.48Å; S267-S274 WeakPolarHBondContact CB-OG 3.28Å; S267-S274 PolarHBondContact N-O 2.89Å; S267-Y275 WeakPolarHBondContact O-CA 3.18Å; S267-R276 WeakPolarHBondContact O-CG 2.88Å; S267-R276 PolarHBondContact O-N 3.31Å
268S96.9Very high96.7Very high90 Ų9043.2 Ų43.263%0.62928%0.284SS*.  trans-90.7-7.316758.10000113.1P270 Y275S268-P270 WeakPolarHBondContact O-CD 3.31Å; S268-Y275 WeakPolarHBondContact O-CE2 3.43Å
269N95.6Very high96.7Very high56 Ų5641.3 Ų41.330%0.29928%0.279SS..  trans-80.5118.6178.2180-3.8000110.4E46 S267 C271 S272 Y275E46-N269 PolarHBondContact OE1-ND2 3.34Å; S267-N269 WeakPolarHBondContact OG-CB 3.44Å; S267-N269 PolarHBondContact OG-N 3.09Å; S267-N269 VanDerWaalsContact OG-N 3.07Å; N269-C271 PolarHBondContact O-N 3.44Å; N269-C271 WeakPolarHBondContact OD1-CB 3.46Å; N269-C271 PolarHBondContact OD1-N 2.91Å; N269-S272 WeakPolarHBondContact O-CB 3.1Å; N269-S272 PolarHBondContact O-N 2.78Å; N269-Y275 VanDerWaalsContact C-CD2 3.44Å; N269-Y275 VanDerWaalsContact O-CB 3.32Å; N269-Y275 WeakPolarHBondContact O-CB 3.46Å; N269-Y275 VanDerWaalsContact O-CD2 3.31Å; N269-Y275 WeakPolarHBondContact O-CD2 3.29Å
270P96.9Very high96.7Very high30 Ų3042.5 Ų42.520%0.19529%0.288CS..THydrogen-bonded Turntrans-50.6-28.5175.7-32.640.3000115.9K238 I243 S246 C248 S268 Y275K238-P270 PolarHBondContact NZ-O 2.81Å; I243-P270 HydrophobicContact CD1-CB 3.77Å; I243-P270 HydrophobicContact CG2-CB 4.21Å; I243-P270 HydrophobicContact CG2-CG 4.22Å; S246-P270 WeakPolarHBondContact OG-CB 3.34Å; C248-P270 HydrophobicContact CB-CB 4.28Å; S268-P270 WeakPolarHBondContact O-CD 3.31Å; P270-Y275 HydrophobicContact CB-CE1 4.44Å; P270-Y275 HydrophobicContact CG-CE2 4.25Å
271C94.1Very high96.7Very high51 Ų5142 Ų4235%0.34528%0.278SS..THydrogen-bonded Turntrans-85.3-14.7-177.6-58.70000113.6C248 N269C248-C271 HydrophobicContact CB-CB 3.89Å; C248-C271 WeakPolarHBondContact CB-SG 3.36Å; C248-C271 WeakPolarHBondContact SG-CA 3.48Å; C248-C271 WeakPolarHBondContact SG-CB 3.45Å; C248-C271 CovalentContact SG-SG 2.03Å; C248-C271 PolarHBondContact SG-SG 3.39Å; N269-C271 PolarHBondContact O-N 3.44Å; N269-C271 WeakPolarHBondContact OD1-CB 3.46Å; N269-C271 PolarHBondContact OD1-N 2.91Å
272S94.4Very high96.7Very high22 Ų2241.5 Ų41.515%0.15428%0.28CS..SBendtrans-69.6144.6176.2-179.50000111.2K238 S267 N269 S274 Y275K238-S272 WeakPolarHBondContact CD-O 3.43Å; K238-S272 WeakPolarHBondContact CE-O 3.37Å; K238-S272 PolarHBondContact NZ-O 3.09Å; S267-S272 VanDerWaalsContact CB-CB 3.46Å; S267-S272 VanDerWaalsContact CB-OG 3.29Å; S267-S272 WeakPolarHBondContact CB-OG 3.48Å; S267-S272 WeakPolarHBondContact OG-CB 3.48Å; N269-S272 WeakPolarHBondContact O-CB 3.1Å; N269-S272 PolarHBondContact O-N 2.78Å; S272-S274 PolarHBondContact O-N 3.18Å; S272-S274 PolarHBondContact OG-N 3.36Å; S272-S274 PolarHBondContact OG-OG 3.17Å; S272-S274 VanDerWaalsContact OG-OG 3.1Å; S272-Y275 VanDerWaalsContact O-CB 3.31Å; S272-Y275 WeakPolarHBondContact O-CB 3.38Å; S272-Y275 PolarHBondContact O-N 2.95Å
273D94.8Very high96.8Very high54 Ų5440.2 Ų40.229%0.28926%0.264SS..THydrogen-bonded Turntrans-69.6-15.2171.1-86.2-33.9000113.3D252D252-D273 WeakPolarHBondContact CB-O 3.43Å
274S96Very high96.9Very high17 Ų1741.8 Ų41.812%0.11927%0.268CS..THydrogen-bonded Turntrans-103.218.9172.868.50000112.9S267 S272 R276S267-S274 WeakPolarHBondContact CB-OG 3.28Å; S267-S274 PolarHBondContact N-O 2.89Å; S272-S274 PolarHBondContact O-N 3.18Å; S272-S274 PolarHBondContact OG-N 3.36Å; S272-S274 PolarHBondContact OG-OG 3.17Å; S272-S274 VanDerWaalsContact OG-OG 3.1Å; S274-R276 PolarHBondContact O-N 2.64Å
275Y98.1Very high97.1Very high18 Ų1838.3 Ų38.37%0.07125%0.246CC..BIsolated β-bridgetrans-58.3120.5179.5177.8-128.7000111.1I243 V251 D252 S267 S268 N269 P270 S272 G277I243-Y275 HydrophobicContact CD1-CD1 3.73Å; I243-Y275 HydrophobicContact CD1-CE1 3.49Å; I243-Y275 VanDerWaalsContact CD1-CE1 3.49Å; I243-Y275 HydrophobicContact CG1-CE1 4.14Å; I243-Y275 HydrophobicContact CG2-CE1 4.44Å; V251-Y275 HydrophobicContact CB-CD1 4.42Å; V251-Y275 WeakPolarHBondContact CG1-O 3.34Å; V251-Y275 HydrophobicContact CG2-CD1 3.79Å; V251-Y275 HydrophobicContact CG2-CE1 3.78Å; D252-Y275 PolarHBondContact N-O 3.4Å; S267-Y275 WeakPolarHBondContact O-CA 3.18Å; S268-Y275 WeakPolarHBondContact O-CE2 3.43Å; N269-Y275 VanDerWaalsContact C-CD2 3.44Å; N269-Y275 VanDerWaalsContact O-CB 3.32Å; N269-Y275 WeakPolarHBondContact O-CB 3.46Å; N269-Y275 VanDerWaalsContact O-CD2 3.31Å; N269-Y275 WeakPolarHBondContact O-CD2 3.29Å; P270-Y275 HydrophobicContact CB-CE1 4.44Å; P270-Y275 HydrophobicContact CG-CE2 4.25Å; S272-Y275 VanDerWaalsContact O-CB 3.31Å; S272-Y275 WeakPolarHBondContact O-CB 3.38Å; S272-Y275 PolarHBondContact O-N 2.95Å; Y275-G277 VanDerWaalsContact C-N 3.29Å; Y275-G277 VanDerWaalsContact CE1-CA 3.46Å; Y275-G277 PolarHBondContact O-N 3.06Å
276R98.4Very high97.4Very high69 Ų6936.7 Ų36.726%0.2623%0.229SC..  trans-72.2-17.4-175.870.4-173.7175.2114.2-3115.2V251 R255 N256 F261 A266 S267 S274V251-R276 VanDerWaalsContact CG1-C 3.49Å; V251-R276 WeakPolarHBondContact CG1-O 3.49Å; R255-R276 HydrophobicContact CB-CB 4.17Å; N256-R276 PolarHBondContact ND2-O 3.11Å; F261-R276 HydrophobicContact CE2-CB 3.97Å; F261-R276 HydrophobicContact CE2-CG 4.13Å; F261-R276 VanDerWaalsContact CE2-O 3.28Å; F261-R276 WeakPolarHBondContact CE2-O 3.27Å; F261-R276 HydrophobicContact CZ-CB 4.29Å; F261-R276 HydrophobicContact CZ-CG 3.92Å; A266-R276 HydrophobicContact CB-CB 3.99Å; S267-R276 WeakPolarHBondContact O-CG 2.88Å; S267-R276 PolarHBondContact O-N 3.31Å; S274-R276 PolarHBondContact O-N 2.64Å
277G98.5Very high97.5Very high1 Ų139.6 Ų39.61%0.0124%0.237CC..  trans91173-170.700000113.6Y275Y275-G277 VanDerWaalsContact C-N 3.29Å; Y275-G277 VanDerWaalsContact CE1-CA 3.46Å; Y275-G277 PolarHBondContact O-N 3.06Å
278P98.2Very high97.7Very high94 Ų9439 Ų3961%0.6123%0.232SC*.SBendtrans-71.8-28-177.227.8-35.6000113.5
279S98.7Very high97.8Very high61 Ų6134.7 Ų34.743%0.42720%0.203SC..SBendtrans-158.1159.4-178.759.70000110.5N256 F261 N281 S282N256-S279 PolarHBondContact ND2-O 2.95Å; N256-S279 VanDerWaalsContact ND2-O 3.13Å; F261-S279 VanDerWaalsContact CZ-CA 3.47Å; S279-N281 PolarHBondContact O-N 3.11Å; S279-S282 VanDerWaalsContact O-CB 3.3Å; S279-S282 WeakPolarHBondContact O-CB 3.2Å; S279-S282 PolarHBondContact O-N 2.9Å; S279-S282 PolarHBondContact O-OG 2.81Å
280A98.8Very high97.9Very high26 Ų2632 Ų3222%0.21519%0.188CC..THydrogen-bonded Turntrans-59.6138.5174.100000111N256 D258 F261 S282N256-A280 CarbonylContact O-C 3.56Å; N256-A280 WeakPolarHBondContact O-CA 3.12Å; D258-A280 HydrophobicContact CB-CB 3.8Å; F261-A280 HydrophobicContact CB-CB 4.02Å; F261-A280 HydrophobicContact CD1-CB 4.1Å; F261-A280 HydrophobicContact CD2-CB 3.85Å; F261-A280 HydrophobicContact CE2-CB 4.36Å; F261-A280 HydrophobicContact CG-CB 3.72Å; F261-A280 VanDerWaalsContact CZ-N 3.32Å; A280-S282 PolarHBondContact O-N 3.18Å
281N98.8Very high98Very high23 Ų2334.5 Ų34.512%0.12320%0.2CC..THydrogen-bonded Turntrans55.832.9-176-44.2-57.5000113.4N256 S279 E283 K287N256-N281 PolarHBondContact O-N 2.99Å; N256-N281 VanDerWaalsContact OD1-CA 3.26Å; N256-N281 WeakPolarHBondContact OD1-CA 3.36Å; N256-N281 PolarHBondContact OD1-N 2.82Å; S279-N281 PolarHBondContact O-N 3.11Å; N281-E283 VanDerWaalsContact C-N 3.29Å; N281-K287 HydrophobicContact CB-CD 3.92Å
282S98.9Very high98.2Very high35 Ų3533.8 Ų33.825%0.24519%0.191CC..  trans-67.2-31.3172.863.50000112.4N256 S279 A280N256-S282 PolarHBondContact ND2-OG 2.96Å; N256-S282 PolarHBondContact OD1-N 3.45Å; N256-S282 PolarHBondContact OD1-OG 3.28Å; S279-S282 VanDerWaalsContact O-CB 3.3Å; S279-S282 WeakPolarHBondContact O-CB 3.2Å; S279-S282 PolarHBondContact O-N 2.9Å; S279-S282 PolarHBondContact O-OG 2.81Å; A280-S282 PolarHBondContact O-N 3.18Å
283E98.9Very high98.4Very high8 Ų832.9 Ų32.94%0.03718%0.184CC..SBendtrans-77.9127.1-179.4-56.1-45.195.200109.7T239 S241 V251 N256 N281 E285 V286 K287T239-E283 WeakPolarHBondContact CB-OE2 3.44Å; T239-E283 HydrophobicContact CG2-CB 4.22Å; T239-E283 HydrophobicContact CG2-CG 3.96Å; T239-E283 PolarHBondContact OG1-OE2 3.32Å; S241-E283 VanDerWaalsContact CB-OE2 3.29Å; S241-E283 WeakPolarHBondContact CB-OE2 3.4Å; S241-E283 PolarHBondContact OG-OE2 3.33Å; V251-E283 HydrophobicContact CB-CG 3.67Å; V251-E283 WeakPolarHBondContact CB-OE2 3.47Å; V251-E283 HydrophobicContact CG1-CG 3.71Å; V251-E283 VanDerWaalsContact CG2-CD 3.46Å; V251-E283 HydrophobicContact CG2-CG 4.27Å; V251-E283 VanDerWaalsContact CG2-OE1 3.28Å; V251-E283 WeakPolarHBondContact CG2-OE1 3.48Å; N256-E283 HydrophobicContact CB-CG 4.25Å; N256-E283 PolarHBondContact OD1-N 2.8Å; N281-E283 VanDerWaalsContact C-N 3.29Å; E283-E285 PolarHBondContact O-N 2.67Å; E283-V286 HydrophobicContact CB-CB 4.29Å; E283-V286 HydrophobicContact CB-CG2 4.13Å; E283-V286 PolarHBondContact O-N 3Å; E283-K287 WeakPolarHBondContact O-CB 3.46Å; E283-K287 PolarHBondContact O-N 2.97Å
284V98.9Very high98.6Very high59 Ų5935 Ų3536%0.35819%0.191SC..Hα-helixtrans-65.4-27.2-175.1-66.20000111.9E150 S151 Y152 S288E150-V284 WeakPolarHBondContact O-CG2 3.27Å; S151-V284 VanDerWaalsContact C-CG2 3.42Å; Y152-V284 VanDerWaalsContact N-CG2 3.29Å; V284-S288 VanDerWaalsContact O-CB 3.31Å; V284-S288 WeakPolarHBondContact O-CB 3.46Å; V284-S288 PolarHBondContact O-N 3.18Å; V284-S288 PolarHBondContact O-OG 3.26Å
285E98.9Very high98.7Very high2 Ų243.4 Ų43.41%0.00923%0.225CC..Hα-helixtrans-63.7-52.8173.1-59.779.1-175.500110.8S151 Y152 L157 E283 S288 V289S151-E285 WeakPolarHBondContact CA-OE1 3.4Å; S151-E285 WeakPolarHBondContact CB-OE1 3.26Å; Y152-E285 PolarHBondContact N-OE1 2.79Å; L157-E285 HydrophobicContact CD1-CB 4.41Å; L157-E285 HydrophobicContact CD1-CG 4.45Å; L157-E285 HydrophobicContact CD2-CG 4.34Å; E283-E285 PolarHBondContact O-N 2.67Å; E285-S288 PolarHBondContact O-N 2.92Å; E285-V289 PolarHBondContact O-N 2.84Å
286V98.9Very high98.7Very high1 Ų143.8 Ų43.81%0.00623%0.228CC..Hα-helixtrans-62.1-46.4176173.50000110.3P253 N256 W257 E283 S288 V289 V290P253-V286 HydrophobicContact CB-CG2 4.08Å; P253-V286 WeakPolarHBondContact O-CG2 3.47Å; N256-V286 HydrophobicContact CB-CG2 4.39Å; W257-V286 HydrophobicContact CD2-CG1 3.66Å; W257-V286 HydrophobicContact CE3-CG1 4Å; W257-V286 HydrophobicContact CG-CG1 4.07Å; W257-V286 HydrophobicContact CH2-CG1 4.4Å; W257-V286 HydrophobicContact CZ2-CG1 4.06Å; W257-V286 HydrophobicContact CZ2-CG2 4.39Å; W257-V286 HydrophobicContact CZ3-CG1 4.36Å; E283-V286 HydrophobicContact CB-CB 4.29Å; E283-V286 HydrophobicContact CB-CG2 4.13Å; E283-V286 PolarHBondContact O-N 3Å; V286-S288 VanDerWaalsContact C-N 3.26Å; V286-S288 PolarHBondContact O-N 3.31Å; V286-V289 PolarHBondContact O-N 2.95Å; V286-V290 HydrophobicContact CG1-CG2 4.29Å; V286-V290 WeakPolarHBondContact O-CG2 3.2Å; V286-V290 PolarHBondContact O-N 2.8Å
287K98.9Very high98.7Very high86 Ų8643 Ų4337%0.37424%0.242SC..Hα-helixtrans-60.2-36.4-180-172.463.5178.5-177.30112.4N281 E283 N291N281-K287 HydrophobicContact CB-CD 3.92Å; E283-K287 WeakPolarHBondContact O-CB 3.46Å; E283-K287 PolarHBondContact O-N 2.97Å; K287-N291 WeakPolarHBondContact CE-OD1 3.46Å; K287-N291 VanDerWaalsContact O-CB 3.28Å; K287-N291 WeakPolarHBondContact O-CB 3.48Å; K287-N291 PolarHBondContact O-N 3.5Å; K287-N291 PolarHBondContact O-ND2 2.86Å
288S98.9Very high98.6Very high15 Ų1547.5 Ų47.511%0.10526%0.261CS..Hα-helixtrans-64.4-44.5177.6-63.30000111.5V284 E285 V286 N291 F292V284-S288 VanDerWaalsContact O-CB 3.31Å; V284-S288 WeakPolarHBondContact O-CB 3.46Å; V284-S288 PolarHBondContact O-N 3.18Å; V284-S288 PolarHBondContact O-OG 3.26Å; E285-S288 PolarHBondContact O-N 2.92Å; V286-S288 VanDerWaalsContact C-N 3.26Å; V286-S288 PolarHBondContact O-N 3.31Å; S288-N291 PolarHBondContact O-N 2.95Å; S288-F292 WeakPolarHBondContact O-CB 3.4Å; S288-F292 PolarHBondContact O-N 2.85Å
289V98.9Very high98.7Very high1 Ų143.6 Ų43.61%0.00624%0.235CC..Hα-helixtrans-65-47176.1179.30000111.1I148 W173 L218 W257 E285 V286 N291 F292 I293 F302I148-V289 HydrophobicContact CD1-CG2 4.12Å; W173-V289 HydrophobicContact CH2-CG1 4.04Å; W173-V289 HydrophobicContact CH2-CG2 4.06Å; W173-V289 HydrophobicContact CZ2-CB 4.19Å; W173-V289 HydrophobicContact CZ2-CG1 3.46Å; W173-V289 VanDerWaalsContact CZ2-CG1 3.46Å; W173-V289 HydrophobicContact CZ2-CG2 3.71Å; L218-V289 HydrophobicContact CD2-CG2 3.85Å; W257-V289 HydrophobicContact CH2-CB 3.99Å; W257-V289 HydrophobicContact CH2-CG1 3.74Å; W257-V289 HydrophobicContact CZ3-CG1 4.35Å; E285-V289 PolarHBondContact O-N 2.84Å; V286-V289 PolarHBondContact O-N 2.95Å; V289-N291 VanDerWaalsContact C-N 3.33Å; V289-N291 PolarHBondContact O-N 2.87Å; V289-F292 PolarHBondContact O-N 3.34Å; V289-I293 HydrophobicContact CG1-CD1 3.68Å; V289-I293 HydrophobicContact CG1-CG1 4.34Å; V289-I293 WeakPolarHBondContact O-CG1 3.33Å; V289-I293 PolarHBondContact O-N 2.93Å; V289-F302 HydrophobicContact CG1-CE2 4.23Å
290V98.9Very high98.7Very high0 Ų042.1 Ų42.10%022%0.222CC..Hα-helixtrans-56.2-47.6176.1168.50000111.4W257 V286 K294 W367W257-V290 HydrophobicContact CE3-CG2 3.75Å; W257-V290 HydrophobicContact CZ3-CG2 3.59Å; V286-V290 HydrophobicContact CG1-CG2 4.29Å; V286-V290 WeakPolarHBondContact O-CG2 3.2Å; V286-V290 PolarHBondContact O-N 2.8Å; V290-K294 HydrophobicContact CG1-CD 4.05Å; V290-K294 WeakPolarHBondContact O-CB 3.42Å; V290-K294 VanDerWaalsContact O-CG 3.28Å; V290-K294 WeakPolarHBondContact O-CG 3.39Å; V290-K294 PolarHBondContact O-N 3.16Å; V290-W367 HydrophobicContact CB-CH2 4.43Å; V290-W367 HydrophobicContact CB-CZ2 4.1Å; V290-W367 HydrophobicContact CG1-CZ2 3.84Å; V290-W367 HydrophobicContact CG2-CD2 4.4Å; V290-W367 HydrophobicContact CG2-CH2 4.12Å; V290-W367 HydrophobicContact CG2-CZ2 3.8Å
291N98.9Very high98.7Very high82 Ų8240.9 Ų40.944%0.43921%0.212SC..Hα-helixtrans-64.9-41.4179.2-72.9-14.3000111.7K287 S288 V289 K295K287-N291 WeakPolarHBondContact CE-OD1 3.46Å; K287-N291 VanDerWaalsContact O-CB 3.28Å; K287-N291 WeakPolarHBondContact O-CB 3.48Å; K287-N291 PolarHBondContact O-N 3.5Å; K287-N291 PolarHBondContact O-ND2 2.86Å; S288-N291 PolarHBondContact O-N 2.95Å; V289-N291 VanDerWaalsContact C-N 3.33Å; V289-N291 PolarHBondContact O-N 2.87Å; N291-K295 WeakPolarHBondContact O-CB 2.99Å; N291-K295 PolarHBondContact O-N 2.84Å
292F98.9Very high98.7Very high36 Ų3639.8 Ų39.816%0.15821%0.206CC..Hα-helixtrans-60.1-51.5177.5178-91.7000111.3I148 W173 F216 S288 V289 K295 H296I148-F292 HydrophobicContact CB-CD2 4.26Å; I148-F292 HydrophobicContact CG2-CD2 3.48Å; I148-F292 VanDerWaalsContact CG2-CD2 3.48Å; I148-F292 HydrophobicContact CG2-CE2 3.93Å; I148-F292 HydrophobicContact CG2-CG 4.11Å; W173-F292 AromaticContact CE3-CD1 3.85Å; W173-F292 HydrophobicContact CE3-CD1 3.85Å; W173-F292 AromaticContact CE3-CE1 3.82Å; W173-F292 HydrophobicContact CE3-CE1 3.82Å; W173-F292 HydrophobicContact CH2-CD1 4.49Å; W173-F292 AromaticContact CZ3-CD1 3.51Å; W173-F292 HydrophobicContact CZ3-CD1 3.51Å; W173-F292 AromaticContact CZ3-CE1 3.68Å; W173-F292 HydrophobicContact CZ3-CE1 3.68Å; W173-F292 HydrophobicContact CZ3-CG 4.29Å; F216-F292 HydrophobicContact CB-CE1 4.42Å; F216-F292 HydrophobicContact CD1-CE1 4.17Å; F216-F292 AromaticContact CD1-CZ 3.57Å; F216-F292 HydrophobicContact CD1-CZ 3.57Å; F216-F292 HydrophobicContact CD2-CE1 4.12Å; F216-F292 HydrophobicContact CD2-CZ 4.14Å; F216-F292 HydrophobicContact CE1-CE1 4.46Å; F216-F292 HydrophobicContact CE1-CE2 4.42Å; F216-F292 AromaticContact CE1-CZ 3.58Å; F216-F292 HydrophobicContact CE1-CZ 3.58Å; F216-F292 HydrophobicContact CE2-CE1 4.42Å; F216-F292 HydrophobicContact CE2-CZ 4.16Å; F216-F292 AromaticContact CG-CE1 3.97Å; F216-F292 HydrophobicContact CG-CE1 3.97Å; F216-F292 AromaticContact CG-CZ 3.85Å; F216-F292 HydrophobicContact CG-CZ 3.85Å; F216-F292 AromaticContact CZ-CZ 3.89Å; F216-F292 HydrophobicContact CZ-CZ 3.89Å; S288-F292 WeakPolarHBondContact O-CB 3.4Å; S288-F292 PolarHBondContact O-N 2.85Å; V289-F292 PolarHBondContact O-N 3.34Å; F292-K295 PolarHBondContact O-N 2.84Å; F292-H296 WeakPolarHBondContact O-CB 3.34Å; F292-H296 PolarHBondContact O-N 3.41Å
293I98.8Very high98.7Very high2 Ų238.2 Ų38.21%0.0120%0.195CC..Hα-helixtrans-62.4-47.2-178.7-69.8172.9000110.9W173 V289 K295 H296 G297 I299 F302 W367 Y371 I373W173-I293 HydrophobicContact CD2-CD1 4.4Å; W173-I293 HydrophobicContact CG-CD1 4.37Å; V289-I293 HydrophobicContact CG1-CD1 3.68Å; V289-I293 HydrophobicContact CG1-CG1 4.34Å; V289-I293 WeakPolarHBondContact O-CG1 3.33Å; V289-I293 PolarHBondContact O-N 2.93Å; I293-K295 VanDerWaalsContact C-N 3.31Å; I293-K295 PolarHBondContact O-N 3.32Å; I293-H296 PolarHBondContact O-N 2.84Å; I293-G297 PolarHBondContact O-N 2.99Å; I293-I299 HydrophobicContact CG1-CG1 4.29Å; I293-I299 HydrophobicContact CG2-CG1 4.18Å; I293-F302 HydrophobicContact CD1-CD2 3.61Å; I293-F302 HydrophobicContact CD1-CE2 3.52Å; I293-W367 HydrophobicContact CB-CH2 3.94Å; I293-W367 HydrophobicContact CD1-CH2 3.83Å; I293-W367 HydrophobicContact CD1-CZ3 3.67Å; I293-W367 HydrophobicContact CG1-CH2 4.49Å; I293-W367 HydrophobicContact CG2-CH2 3.8Å; I293-W367 HydrophobicContact CG2-CZ3 4.42Å; I293-Y371 HydrophobicContact CG2-CD1 4.22Å; I293-Y371 HydrophobicContact CG2-CE1 4.1Å; I293-I373 HydrophobicContact CG2-CD1 3.69Å
294K98.7Very high98.7Very high99 Ų9937.8 Ų37.843%0.4319%0.193SC..Hα-helixtrans-60.8-39.4177.1-73.1-174.1173.1-173.70112.3V290 Y371V290-K294 HydrophobicContact CG1-CD 4.05Å; V290-K294 WeakPolarHBondContact O-CB 3.42Å; V290-K294 VanDerWaalsContact O-CG 3.28Å; V290-K294 WeakPolarHBondContact O-CG 3.39Å; V290-K294 PolarHBondContact O-N 3.16Å; K294-Y371 HydrophobicContact CD-CE2 4.42Å; K294-Y371 HydrophobicContact CG-CE1 4.2Å; K294-Y371 HydrophobicContact CG-CE2 3.96Å
295K98.3Very high98.7Very high193 Ų19335 Ų3584%0.83918%0.176SC*.Hα-helixtrans-69.9-36.8177.8-177.7179.3176.7-176.90112.1N291 F292 I293N291-K295 WeakPolarHBondContact O-CB 2.99Å; N291-K295 PolarHBondContact O-N 2.84Å; F292-K295 PolarHBondContact O-N 2.84Å; I293-K295 VanDerWaalsContact C-N 3.31Å; I293-K295 PolarHBondContact O-N 3.32Å
296H98.2Very high98.7Very high26 Ų2635 Ų3512%0.1218%0.176CC..Hα-helixtrans-69.7-48.1177.6-171-88.9000111.4N168 R169 F216 F292 I293 K298 I299N168-H296 PolarHBondContact OD1-O 2.72Å; R169-H296 PolarHBondContact O-CE1 2.83Å; F216-H296 AromaticContact CE2-CD2 3.81Å; F216-H296 AromaticContact CE2-NE2 3.55Å; F216-H296 AromaticContact CZ-CD2 3.96Å; F216-H296 AromaticContact CZ-NE2 3.89Å; F292-H296 WeakPolarHBondContact O-CB 3.34Å; F292-H296 PolarHBondContact O-N 3.41Å; I293-H296 PolarHBondContact O-N 2.84Å; H296-K298 PolarHBondContact ND1-N 2.94Å; H296-K298 PolarHBondContact O-N 3.19Å; H296-K298 VanDerWaalsContact O-N 3.1Å; H296-I299 HydrophobicContact CB-CD1 4.28Å; H296-I299 HydrophobicContact CB-CG1 4.37Å; H296-I299 WeakPolarHBondContact ND1-CD1 3.34Å
297G97.5Very high98.7Very high54 Ų5435 Ų3556%0.55718%0.176SC*.  trans71.6-2.3173.100000116.1I293I293-G297 PolarHBondContact O-N 2.99Å
298K97.5Very high98.6Very high94 Ų9431.1 Ų31.141%0.40916%0.159SC..  trans-131.635179.3-64.2-175.9-178.8-178.70114N168 P170 A171 H296N168-K298 WeakPolarHBondContact O-CD 3.45Å; N168-K298 PolarHBondContact O-NZ 2.88Å; P170-K298 WeakPolarHBondContact CA-O 3.36Å; A171-K298 PolarHBondContact N-O 2.91Å; H296-K298 PolarHBondContact ND1-N 2.94Å; H296-K298 PolarHBondContact O-N 3.19Å; H296-K298 VanDerWaalsContact O-N 3.1Å
299I98.4Very high98.6Very high12 Ų1231.4 Ų31.46%0.06216%0.161CC..EExtended strand (participates in β ladder)trans-80.5121.6170-54.9-58.5000107.7A171 W173 F216 I293 H296 A301 I373A171-I299 HydrophobicContact CB-CD1 3.85Å; A171-I299 CarbonylContact O-C 3.37Å; A171-I299 WeakPolarHBondContact O-CA 3.21Å; W173-I299 HydrophobicContact CB-CG2 3.82Å; F216-I299 HydrophobicContact CD2-CD1 4.08Å; F216-I299 HydrophobicContact CE2-CD1 4.32Å; I293-I299 HydrophobicContact CG1-CG1 4.29Å; I293-I299 HydrophobicContact CG2-CG1 4.18Å; H296-I299 HydrophobicContact CB-CD1 4.28Å; H296-I299 HydrophobicContact CB-CG1 4.37Å; H296-I299 WeakPolarHBondContact ND1-CD1 3.34Å; I299-A301 WeakPolarHBondContact CG2-O 3.35Å; I299-I373 HydrophobicContact CB-CD1 3.92Å; I299-I373 HydrophobicContact CG2-CD1 3.85Å; I299-I373 HydrophobicContact CG2-CG2 4.36Å
300L98.6Very high98.6Very high31 Ų3132.9 Ų32.916%0.16217%0.168CC..EExtended strand (participates in β ladder)trans-99.1-23.5-179.1-59.9-167.9000113.2P170 A171 M213 I373 Y375 V414 P418P170-L300 HydrophobicContact CB-CD1 3.73Å; P170-L300 HydrophobicContact CB-CG 4.07Å; A171-L300 PolarHBondContact O-N 3.26Å; M213-L300 HydrophobicContact CE-CB 4.27Å; M213-L300 HydrophobicContact CE-CD1 4.06Å; M213-L300 HydrophobicContact CE-CG 4.39Å; L300-I373 WeakPolarHBondContact O-CG2 3.44Å; L300-Y375 WeakPolarHBondContact O-CD2 3.31Å; L300-V414 HydrophobicContact CB-CG1 3.69Å; L300-V414 HydrophobicContact CD1-CG1 4.33Å; L300-P418 HydrophobicContact CD1-CB 4.14Å
301A98.9Very high98.6Very high0 Ų033.5 Ų33.50%017%0.171CC..EExtended strand (participates in β ladder)trans-134.4142.317500000111.6I172 W173 I299 Y375 V414I172-A301 HydrophobicContact CG1-CB 4.1Å; I172-A301 HydrophobicContact CG2-CB 4.2Å; W173-A301 PolarHBondContact N-O 2.97Å; I299-A301 WeakPolarHBondContact CG2-O 3.35Å; A301-Y375 CarbonylContact C-O 3.6Å; A301-Y375 WeakPolarHBondContact CA-O 3.37Å; A301-Y375 WeakPolarHBondContact CB-O 3.39Å; A301-V414 HydrophobicContact CB-CG1 4.33Å; A301-V414 HydrophobicContact CB-CG2 3.78Å
302F98.9Very high98.6Very high0 Ų029.6 Ų29.60%015%0.15CC..EExtended strand (participates in β ladder)trans-124.3113174.3-174.5-72.7000108.3W173 D175 W257 V289 I293 T304 I365 W367 I373 Y375 S376 F377W173-F302 HydrophobicContact CB-CD2 4.32Å; W173-F302 AromaticContact CD1-CD2 3.34Å; W173-F302 AromaticContact CD1-CE2 3.27Å; W173-F302 AromaticContact CD1-CG 3.89Å; W173-F302 AromaticContact CD1-CZ 3.74Å; W173-F302 AromaticContact CG-CD2 3.96Å; W173-F302 HydrophobicContact CG-CD2 3.96Å; W173-F302 HydrophobicContact CG-CE2 4.11Å; W173-F302 AromaticContact NE1-CD2 4Å; W173-F302 AromaticContact NE1-CE2 3.41Å; W173-F302 AromaticContact NE1-CZ 3.66Å; D175-F302 VanDerWaalsContact OD2-CZ 3.27Å; D175-F302 WeakPolarHBondContact OD2-CZ 3.18Å; W257-F302 HydrophobicContact CH2-CE2 4.35Å; W257-F302 HydrophobicContact CH2-CZ 4.09Å; V289-F302 HydrophobicContact CG1-CE2 4.23Å; I293-F302 HydrophobicContact CD1-CD2 3.61Å; I293-F302 HydrophobicContact CD1-CE2 3.52Å; F302-T304 HydrophobicContact CE1-CG2 4.36Å; F302-I365 HydrophobicContact CD1-CG2 4.07Å; F302-I365 HydrophobicContact CE1-CG2 4.29Å; F302-W367 HydrophobicContact CE2-CZ3 4.34Å; F302-I373 HydrophobicContact CB-CG2 4.04Å; F302-Y375 PolarHBondContact N-O 2.92Å; F302-S376 CarbonylContact O-C 3.56Å; F302-S376 VanDerWaalsContact O-CA 3.28Å; F302-S376 WeakPolarHBondContact O-CA 3.48Å; F302-F377 PolarHBondContact O-N 2.79Å
303L98.9Very high98.6Very high1 Ų128.1 Ų28.11%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-118.3124.4-176-51.2178.3000108.3I172 W173 L174 D175 F377 L407 I410 M411I172-L303 HydrophobicContact CG2-CD1 4.03Å; I172-L303 HydrophobicContact CG2-CG 4.49Å; W173-L303 PolarHBondContact O-N 3.48Å; L174-L303 CarbonylContact C-O 3.56Å; L174-L303 VanDerWaalsContact CA-O 3.27Å; L174-L303 WeakPolarHBondContact CA-O 3.21Å; L174-L303 HydrophobicContact CD1-CB 3.63Å; D175-L303 PolarHBondContact N-O 3.08Å; L303-F377 WeakPolarHBondContact CA-O 3.45Å; L303-F377 HydrophobicContact CD2-CB 3.93Å; L303-F377 HydrophobicContact CD2-CD2 4.17Å; L303-L407 HydrophobicContact CB-CD2 4.37Å; L303-L407 HydrophobicContact CD1-CD2 3.75Å; L303-I410 HydrophobicContact CD2-CD1 4.39Å; L303-I410 HydrophobicContact CD2-CG2 3.93Å; L303-M411 HydrophobicContact CD1-CG 4.33Å
304T98.9Very high98.6Very high0 Ų028.4 Ų28.40%015%0.145CC..EExtended strand (participates in β ladder)trans-121.4132.3177.8-178.80000110.7D175 F302 H306 I365 F377 A378 F379D175-T304 WeakPolarHBondContact O-CA 3.48Å; F302-T304 HydrophobicContact CE1-CG2 4.36Å; T304-H306 PolarHBondContact OG1-NE2 3.35Å; T304-I365 HydrophobicContact CG2-CG2 3.51Å; T304-F377 PolarHBondContact N-O 2.85Å; T304-A378 HydrophobicContact CG2-CB 3.63Å; T304-A378 WeakPolarHBondContact O-CA 3.39Å; T304-F379 PolarHBondContact O-N 3.44Å
305L98.9Very high98.6Very high0 Ų023.7 Ų23.70%013%0.125CC..EExtended strand (participates in β ladder)trans-101.6123.6179.6-54.1-175.5000110.6L174 D175 A176 T185 I192 F379 T403 L407L174-L305 HydrophobicContact CD1-CD1 4.24Å; L174-L305 HydrophobicContact CD1-CD2 4.15Å; L174-L305 HydrophobicContact CD1-CG 3.93Å; D175-L305 PolarHBondContact O-N 3.21Å; A176-L305 HydrophobicContact CB-CB 4.06Å; A176-L305 HydrophobicContact CB-CD1 4.34Å; T185-L305 HydrophobicContact CG2-CB 4.24Å; T185-L305 WeakPolarHBondContact CG2-O 3.3Å; I192-L305 HydrophobicContact CD1-CD1 4.3Å; L305-F379 HydrophobicContact CD2-CB 3.77Å; L305-F379 HydrophobicContact CD2-CD2 3.94Å; L305-F379 HydrophobicContact CD2-CG 3.9Å; L305-T403 HydrophobicContact CD2-CG2 4.39Å; L305-L407 HydrophobicContact CD2-CD2 4.43Å
306H98.9Very high98.6Very high2 Ų215.6 Ų15.61%0.0099%0.089CC..EExtended strand (participates in β ladder)trans-123171.2174.8-69.3-83.3000111.1I178 H179 E182 T185 N254 T304 F379 E380 L381I178-H306 WeakPolarHBondContact CG2-CE1 3.47Å; H179-H306 AromaticContact CE1-CE1 3.39Å; H179-H306 PolarHBondContact CE1-CE1 3.42Å; H179-H306 AromaticContact CE1-ND1 3.59Å; H179-H306 AromaticContact ND1-CE1 3.5Å; H179-H306 PolarHBondContact ND1-CE1 2.94Å; H179-H306 AromaticContact ND1-ND1 3.25Å; H179-H306 PolarHBondContact ND1-ND1 2.95Å; E182-H306 IonicContact OE1-ND1 3.1Å; E182-H306 WeakPolarHBondContact OE2-CA 3.41Å; E182-H306 VanDerWaalsContact OE2-CB 3.32Å; E182-H306 WeakPolarHBondContact OE2-CB 3.42Å; E182-H306 IonicContact OE2-CG 2.79Å; E182-H306 IonicContact OE2-ND1 2.91Å; E182-H306 PolarHBondContact OE2-ND1 2.03Å; T185-H306 WeakPolarHBondContact CG2-O 3.38Å; N254-H306 PolarHBondContact ND2-NE2 3.37Å; T304-H306 PolarHBondContact OG1-NE2 3.35Å; H306-F379 CarbonylContact C-O 3.56Å; H306-F379 VanDerWaalsContact CA-O 3.29Å; H306-F379 WeakPolarHBondContact CA-O 3.41Å; H306-F379 VanDerWaalsContact CB-O 3.27Å; H306-F379 WeakPolarHBondContact CB-O 3.12Å; H306-F379 PolarHBondContact N-O 2.88Å; H306-E380 VanDerWaalsContact CB-CD 3.42Å; H306-E380 HydrophobicContact CB-CG 4.43Å; H306-E380 WeakPolarHBondContact CB-OE1 3.23Å; H306-E380 WeakPolarHBondContact CB-OE2 3.21Å; H306-E380 IonicContact CG-OE1 3.86Å; H306-L381 WeakPolarHBondContact O-CB 3.4Å; H306-L381 VanDerWaalsContact O-CG 3.28Å; H306-L381 WeakPolarHBondContact O-CG 3.28Å; H306-L381 PolarHBondContact O-N 3.45Å
307S98.8Very high98.6Very high2 Ų214.3 Ų14.31%0.0148%0.083CC..EExtended strand (participates in β ladder)trans-146.5156.3162.765.30000109E182 I184 E380 F389E182-S307 WeakPolarHBondContact CA-OG 3.41Å; E182-S307 VanDerWaalsContact CB-OG 3.24Å; E182-S307 WeakPolarHBondContact CB-OG 3.24Å; E182-S307 WeakPolarHBondContact CG-O 3.4Å; E182-S307 PolarHBondContact OE2-N 2.78Å; I184-S307 WeakPolarHBondContact CG2-OG 3.21Å; S307-E380 VanDerWaalsContact CA-OE2 3.24Å; S307-E380 WeakPolarHBondContact CA-OE2 3.35Å; S307-E380 PolarHBondContact N-OE2 2.94Å; S307-F389 VanDerWaalsContact O-CE1 3.26Å; S307-F389 WeakPolarHBondContact O-CE1 3.01Å
308Y98.6Very high98.6Very high3 Ų314.1 Ų14.11%0.0127%0.066CC..SBendcis-121.6163.5-0.263.9-85.1000108.6W53 L54 D64 E380 G388 F389W53-Y308 HydrophobicContact CB-CE1 4Å; W53-Y308 VanDerWaalsContact CB-OH 3.28Å; W53-Y308 WeakPolarHBondContact CB-OH 3.44Å; W53-Y308 HydrophobicContact CD2-CE1 4.36Å; W53-Y308 AromaticContact CE3-CE1 3.77Å; W53-Y308 HydrophobicContact CE3-CE1 3.77Å; L54-Y308 HydrophobicContact CD1-CE2 4.09Å; L54-Y308 HydrophobicContact CD2-CE2 4.44Å; L54-Y308 HydrophobicContact CG-CE2 4.21Å; D64-Y308 WeakPolarHBondContact CB-OH 3.49Å; D64-Y308 PolarHBondContact OD2-OH 2.91Å; Y308-E380 PolarHBondContact N-OE2 3.38Å; Y308-G388 VanDerWaalsContact CD1-CA 3.4Å; Y308-F389 AromaticContact CD1-CD1 3.75Å; Y308-F389 HydrophobicContact CD1-CD1 3.75Å; Y308-F389 AromaticContact CD1-CE1 3.52Å; Y308-F389 HydrophobicContact CD1-CE1 3.52Å; Y308-F389 HydrophobicContact CD1-CE2 4.49Å; Y308-F389 HydrophobicContact CD1-CG 4.33Å; Y308-F389 AromaticContact CD1-CZ 3.91Å; Y308-F389 HydrophobicContact CD1-CZ 3.91Å; Y308-F389 HydrophobicContact CE1-CD1 4.21Å; Y308-F389 HydrophobicContact CE1-CD2 4.39Å; Y308-F389 AromaticContact CE1-CE1 3.8Å; Y308-F389 HydrophobicContact CE1-CE1 3.8Å; Y308-F389 HydrophobicContact CE1-CE2 4.01Å; Y308-F389 HydrophobicContact CE1-CG 4.47Å; Y308-F389 AromaticContact CE1-CZ 3.68Å; Y308-F389 HydrophobicContact CE1-CZ 3.68Å
309S98.4Very high98.6Very high22 Ų2212.4 Ų12.415%0.1546%0.058CC..SBendtrans161.4-6.7160.9-81.90000112.2L54 L381 D383L54-S309 WeakPolarHBondContact CD2-OG 3.25Å; S309-L381 PolarHBondContact N-O 2.81Å; S309-L381 VanDerWaalsContact N-O 3.11Å; S309-D383 CarbonylContact C-O 3.54Å; S309-D383 VanDerWaalsContact CA-O 3.28Å; S309-D383 WeakPolarHBondContact CA-O 3.33Å; S309-D383 PolarHBondContact N-O 3.02Å
310Q98.8Very high98.5Very high31 Ų3115.3 Ų15.315%0.1458%0.079CC..  trans56.759.3-171.1-60.3174.1-17100111.9T346 T347 Y348 K349 E380 L381 R382 T384Q310-T346 VanDerWaalsContact CD-CG2 3.47Å; Q310-T346 HydrophobicContact CG-CG2 4.15Å; Q310-T347 WeakPolarHBondContact CB-O 3.27Å; Q310-T347 PolarHBondContact NE2-O 3.32Å; Q310-Y348 HydrophobicContact CB-CD1 4.46Å; Q310-Y348 HydrophobicContact CB-CD2 3.99Å; Q310-Y348 HydrophobicContact CB-CE1 4.47Å; Q310-Y348 HydrophobicContact CB-CE2 4.01Å; Q310-Y348 HydrophobicContact CB-CG 4.22Å; Q310-Y348 HydrophobicContact CG-CD2 4.49Å; Q310-Y348 HydrophobicContact CG-CE2 4.08Å; Q310-Y348 CarbonylContact O-C 3.51Å; Q310-Y348 WeakPolarHBondContact O-CA 3.27Å; Q310-K349 PolarHBondContact O-N 3.33Å; Q310-E380 CarbonylContact C-O 3.57Å; Q310-E380 WeakPolarHBondContact CA-O 3.19Å; Q310-E380 PolarHBondContact N-O 2.87Å; Q310-L381 PolarHBondContact N-O 2.93Å; Q310-L381 VanDerWaalsContact N-O 3.1Å; Q310-R382 HydrophobicContact CG-CG 4.49Å; Q310-T384 HydrophobicContact CB-CG2 4.28Å; Q310-T384 HydrophobicContact CG-CG2 4.08Å
311L98.8Very high98.5Very high14 Ų1418 Ų187%0.07310%0.096CC..EExtended strand (participates in β ladder)trans-117.7143.1177.7-47.3176.9000110M313 K349 T356 I357 F379 E380L311-M313 HydrophobicContact CB-CE 4.25Å; L311-M313 HydrophobicContact CB-CG 3.98Å; L311-M313 HydrophobicContact CB-SD 4.14Å; L311-M313 HydrophobicContact CD1-CE 4.34Å; L311-M313 HydrophobicContact CD1-SD 3.94Å; L311-K349 WeakPolarHBondContact CA-O 3.25Å; L311-K349 HydrophobicContact CD2-CB 3.75Å; L311-K349 HydrophobicContact CD2-CD 4.32Å; L311-K349 HydrophobicContact CD2-CG 4.5Å; L311-T356 HydrophobicContact CB-CG2 4.43Å; L311-T356 HydrophobicContact CD1-CG2 4.18Å; L311-T356 HydrophobicContact CD2-CG2 3.96Å; L311-T356 HydrophobicContact CG-CG2 4.42Å; L311-I357 HydrophobicContact CD1-CB 4.15Å; L311-I357 HydrophobicContact CD1-CD1 4.11Å; L311-I357 HydrophobicContact CD1-CG1 4.09Å; L311-F379 CarbonylContact O-C 3.6Å; L311-F379 WeakPolarHBondContact O-CA 3.44Å; L311-E380 HydrophobicContact CB-CB 3.86Å; L311-E380 HydrophobicContact CB-CG 4.1Å; L311-E380 HydrophobicContact CD1-CB 4.44Å; L311-E380 HydrophobicContact CD1-CG 4.15Å; L311-E380 HydrophobicContact CG-CB 4.09Å; L311-E380 HydrophobicContact CG-CG 4.31Å; L311-E380 PolarHBondContact N-O 3.2Å; L311-E380 PolarHBondContact O-N 3.4Å
312L98.8Very high98.4Very high0 Ų022.5 Ų22.50%012%0.121CC..EExtended strand (participates in β ladder)trans-123.2106.4167.3173.954.7000108.3G333 A336 Y348 K349 V350 G351 F377 F379L312-G333 WeakPolarHBondContact CD2-O 3.24Å; L312-A336 HydrophobicContact CD2-CB 3.63Å; L312-Y348 HydrophobicContact CB-CD1 4.25Å; L312-K349 PolarHBondContact N-O 3.44Å; L312-V350 HydrophobicContact CB-CG2 4.31Å; L312-V350 VanDerWaalsContact O-CA 3.32Å; L312-V350 WeakPolarHBondContact O-CA 3.39Å; L312-G351 PolarHBondContact O-N 3.28Å; L312-F377 HydrophobicContact CD1-CB 4.18Å; L312-F377 HydrophobicContact CD1-CD1 3.94Å; L312-F377 HydrophobicContact CD1-CG 4.43Å; L312-F377 HydrophobicContact CG-CD1 4.44Å; L312-F379 HydrophobicContact CD1-CD1 3.98Å; L312-F379 HydrophobicContact CD1-CD2 3.8Å; L312-F379 HydrophobicContact CD1-CE1 3.75Å; L312-F379 HydrophobicContact CD1-CE2 3.54Å; L312-F379 HydrophobicContact CD1-CG 4Å; L312-F379 HydrophobicContact CD1-CZ 3.52Å; L312-F379 HydrophobicContact CD2-CE1 4.25Å; L312-F379 HydrophobicContact CD2-CZ 4.29Å
313M98.8Very high98.3Very high5 Ų522.7 Ų22.73%0.02512%0.122CC..EExtended strand (participates in β ladder)trans-115154.3-167.5-60.7176.9-67.600111.9L311 G351 I353 T356 I357 F377 A378 E380L311-M313 HydrophobicContact CB-CE 4.25Å; L311-M313 HydrophobicContact CB-CG 3.98Å; L311-M313 HydrophobicContact CB-SD 4.14Å; L311-M313 HydrophobicContact CD1-CE 4.34Å; L311-M313 HydrophobicContact CD1-SD 3.94Å; M313-G351 VanDerWaalsContact CA-O 3.25Å; M313-G351 WeakPolarHBondContact CA-O 3.32Å; M313-I353 HydrophobicContact CB-CG1 3.83Å; M313-I353 HydrophobicContact SD-CG1 4.13Å; M313-T356 HydrophobicContact CG-CG2 4.1Å; M313-T356 HydrophobicContact SD-CG2 4.3Å; M313-I357 HydrophobicContact SD-CB 4.17Å; M313-I357 HydrophobicContact SD-CG2 3.99Å; M313-F377 CarbonylContact O-C 3.54Å; M313-F377 VanDerWaalsContact O-CA 3.27Å; M313-F377 WeakPolarHBondContact O-CA 3.48Å; M313-F377 WeakPolarHBondContact O-CD1 3.34Å; M313-A378 HydrophobicContact CE-CB 4.35Å; M313-A378 PolarHBondContact N-O 3.07Å; M313-A378 PolarHBondContact O-N 3.2Å; M313-E380 HydrophobicContact CE-CG 3.62Å
314Y98.8Very high98.3Very high8 Ų827.4 Ų27.43%0.03116%0.161CC..EExtended strand (participates in β ladder)trans-133170.7171.649.4-95000109.5P323 Y326 L329 A330 V350 G351 S352 I353 F377Y314-P323 HydrophobicContact CD2-CG 4.43Å; Y314-Y326 HydrophobicContact CE2-CD2 4.03Å; Y314-Y326 HydrophobicContact CE2-CE2 4.37Å; Y314-L329 HydrophobicContact CD1-CB 4.35Å; Y314-L329 HydrophobicContact CD2-CB 4.09Å; Y314-L329 HydrophobicContact CD2-CD1 4.46Å; Y314-L329 HydrophobicContact CG-CB 3.98Å; Y314-A330 HydrophobicContact CE1-CB 4.25Å; Y314-A330 VanDerWaalsContact OH-CB 3.3Å; Y314-A330 WeakPolarHBondContact OH-CB 3.47Å; Y314-V350 HydrophobicContact CE1-CG1 3.96Å; Y314-G351 VanDerWaalsContact CZ-C 3.47Å; Y314-G351 PolarHBondContact N-O 3Å; Y314-G351 VanDerWaalsContact N-O 3.17Å; Y314-S352 CarbonylContact O-C 3.55Å; Y314-S352 VanDerWaalsContact O-CA 3.23Å; Y314-S352 WeakPolarHBondContact O-CA 3.35Å; Y314-I353 PolarHBondContact O-N 2.89Å; Y314-F377 HydrophobicContact CD1-CD1 4.47Å; Y314-F377 AromaticContact CD1-CE1 3.97Å; Y314-F377 HydrophobicContact CD1-CE1 3.97Å; Y314-F377 HydrophobicContact CG-CE1 4.37Å
315P98.8Very high98.2Very high0 Ų029.6 Ų29.60%017%0.173CC..SBendtrans-57.6155.4179.2-28.335.9000113.8P323 I365 Y369 S376P315-P323 VanDerWaalsContact O-CD 3.28Å; P315-P323 WeakPolarHBondContact O-CD 3.48Å; P315-P323 WeakPolarHBondContact O-CG 2.92Å; P315-I365 HydrophobicContact CG-CD1 4.3Å; P315-I365 HydrophobicContact CG-CG1 4.21Å; P315-I365 WeakPolarHBondContact CG-O 3.12Å; P315-Y369 HydrophobicContact CB-CD1 4.24Å; P315-Y369 HydrophobicContact CB-CG 4.17Å; P315-Y369 HydrophobicContact CG-CD1 4.38Å; P315-Y369 HydrophobicContact CG-CD2 4.27Å; P315-Y369 HydrophobicContact CG-CG 3.82Å; P315-S376 VanDerWaalsContact CD-O 3.24Å; P315-S376 WeakPolarHBondContact CD-O 3.37Å
316Y98.7Very high98.2Very high22 Ų2233.8 Ų33.89%0.08619%0.189CC..  cis-104154.8-0.3-67.1-81.2000113.2Y318 K319 P323 I353 C354 D366 Y369 D370Y316-Y318 HydrophobicContact CD1-CD1 4.18Å; Y316-Y318 AromaticContact CD1-CE1 3.57Å; Y316-Y318 HydrophobicContact CD1-CE1 3.57Å; Y316-Y318 AromaticContact CE1-CE1 3.97Å; Y316-Y318 HydrophobicContact CE1-CE1 3.97Å; Y316-Y318 HydrophobicContact CG-CE1 4.45Å; Y316-K319 CarbonylContact C-O 3.53Å; Y316-K319 WeakPolarHBondContact CB-O 3.41Å; Y316-K319 HydrophobicContact CD1-CG 4.37Å; Y316-K319 HydrophobicContact CD2-CD 4.25Å; Y316-K319 HydrophobicContact CD2-CG 4.04Å; Y316-K319 HydrophobicContact CE2-CD 4.5Å; Y316-K319 HydrophobicContact CG-CD 4.27Å; Y316-K319 HydrophobicContact CG-CG 3.79Å; Y316-K319 VanDerWaalsContact CZ-NZ 3.32Å; Y316-K319 PolarHBondContact OH-NZ 3.05Å; Y316-P323 HydrophobicContact CD2-CB 4.25Å; Y316-P323 HydrophobicContact CE2-CB 3.86Å; Y316-I353 PolarHBondContact O-N 3.34Å; Y316-C354 PolarHBondContact O-N 3.13Å; Y316-D366 WeakPolarHBondContact CA-OD1 3.24Å; Y316-D366 HydrophobicContact CD1-CB 4.44Å; Y316-Y369 AromaticContact CE1-CD1 3.78Å; Y316-Y369 HydrophobicContact CE1-CD1 3.78Å; Y316-Y369 HydrophobicContact CE1-CE1 4.34Å; Y316-Y369 HydrophobicContact CE2-CD1 4.43Å; Y316-Y369 HydrophobicContact CE2-CE1 4.21Å; Y316-Y369 AromaticContact CZ-CD1 3.6Å; Y316-Y369 AromaticContact CZ-CE1 3.68Å; Y316-Y369 WeakPolarHBondContact OH-CD1 3.11Å; Y316-Y369 VanDerWaalsContact OH-CE1 3.29Å; Y316-Y369 WeakPolarHBondContact OH-CE1 3.34Å; Y316-D370 VanDerWaalsContact CE1-OD1 3.24Å; Y316-D370 WeakPolarHBondContact CE1-OD1 3.25Å; Y316-D370 PolarHBondContact OH-OD1 2.95Å; Y316-D370 VanDerWaalsContact OH-OD1 3.11Å
317G98.2Very high98.1Very high0 Ų038.8 Ų38.80%022%0.22CC..SBendtrans-97.5-46.1166.400000113.2K319 Q359 A360 D366G317-K319 VanDerWaalsContact C-N 3.28Å; G317-K319 PolarHBondContact O-N 3.01Å; G317-Q359 WeakPolarHBondContact O-CA 3.28Å; G317-Q359 WeakPolarHBondContact O-CG 3.34Å; G317-A360 CarbonylContact C-O 3.6Å; G317-A360 PolarHBondContact O-N 2.86Å; G317-D366 VanDerWaalsContact CA-OD2 3.23Å; G317-D366 WeakPolarHBondContact CA-OD2 3.16Å; G317-D366 VanDerWaalsContact N-CG 3.28Å; G317-D366 PolarHBondContact N-OD1 3.46Å; G317-D366 PolarHBondContact N-OD2 2.68Å
318Y98.2Very high98.1Very high49 Ų4940.6 Ų40.619%0.19223%0.228CC..SBendtrans-72.2-23.1-174.975.9-94.4000113.4A259 Y316 Q359 A360 D366 D370A259-Y318 HydrophobicContact CB-CD1 4.35Å; A259-Y318 HydrophobicContact CB-CE1 4.36Å; Y316-Y318 HydrophobicContact CD1-CD1 4.18Å; Y316-Y318 AromaticContact CD1-CE1 3.57Å; Y316-Y318 HydrophobicContact CD1-CE1 3.57Å; Y316-Y318 AromaticContact CE1-CE1 3.97Å; Y316-Y318 HydrophobicContact CE1-CE1 3.97Å; Y316-Y318 HydrophobicContact CG-CE1 4.45Å; Y318-Q359 PolarHBondContact O-NE2 3.31Å; Y318-A360 WeakPolarHBondContact CA-O 3.26Å; Y318-A360 PolarHBondContact N-O 3.37Å; Y318-D366 HydrophobicContact CD1-CB 3.84Å; Y318-D366 VanDerWaalsContact CD1-OD2 3.29Å; Y318-D366 WeakPolarHBondContact CD1-OD2 3.39Å; Y318-D366 HydrophobicContact CE1-CB 4.12Å; Y318-D366 PolarHBondContact N-OD2 2.89Å; Y318-D370 WeakPolarHBondContact CE1-OD2 3.48Å; Y318-D370 PolarHBondContact OH-OD2 3.34Å
319K97Very high98.1Very high58 Ų5840.5 Ų40.525%0.25223%0.228SC..SBendtrans-132.5153.8175.464.6-174.4177.1-1560109.8Y316 G317Y316-K319 CarbonylContact C-O 3.53Å; Y316-K319 WeakPolarHBondContact CB-O 3.41Å; Y316-K319 HydrophobicContact CD1-CG 4.37Å; Y316-K319 HydrophobicContact CD2-CD 4.25Å; Y316-K319 HydrophobicContact CD2-CG 4.04Å; Y316-K319 HydrophobicContact CE2-CD 4.5Å; Y316-K319 HydrophobicContact CG-CD 4.27Å; Y316-K319 HydrophobicContact CG-CG 3.79Å; Y316-K319 VanDerWaalsContact CZ-NZ 3.32Å; Y316-K319 PolarHBondContact OH-NZ 3.05Å; G317-K319 VanDerWaalsContact C-N 3.28Å; G317-K319 PolarHBondContact O-N 3.01Å
320C96.3Very high98.2Very high73 Ų7339.6 Ų39.649%0.49322%0.222SC..  trans-105.716.4-173.5-48.30000112.8C354C320-C354 HydrophobicContact CB-CB 3.85Å; C320-C354 WeakPolarHBondContact CB-SG 3.39Å; C320-C354 WeakPolarHBondContact SG-CB 3.07Å; C320-C354 CovalentContact SG-SG 2.03Å; C320-C354 PolarHBondContact SG-SG 2.94Å
321T97.3Very high98.2Very high87 Ų8742.4 Ų42.453%0.53424%0.241SC..SBendtrans-86.3151170570000110.1
322N97.3Very high98.2Very high95 Ų9542.1 Ų42.151%0.50824%0.239SC..PPolyproline II helixtrans-66.2144.2178.2-74.1-22.4000112.3Y326N322-Y326 HydrophobicContact CB-CD2 4.18Å; N322-Y326 HydrophobicContact CB-CG 4.05Å
323P97.4Very high98.2Very high5 Ų542.1 Ų42.13%0.03224%0.239CC..PPolyproline II helixtrans-65.2158.8165.329.7-34.8000111.2Y314 P315 Y316 D325 Y326 L329 Y369Y314-P323 HydrophobicContact CD2-CG 4.43Å; P315-P323 VanDerWaalsContact O-CD 3.28Å; P315-P323 WeakPolarHBondContact O-CD 3.48Å; P315-P323 WeakPolarHBondContact O-CG 2.92Å; Y316-P323 HydrophobicContact CD2-CB 4.25Å; Y316-P323 HydrophobicContact CE2-CB 3.86Å; P323-D325 PolarHBondContact O-N 2.97Å; P323-Y326 VanDerWaalsContact O-CB 3.26Å; P323-Y326 WeakPolarHBondContact O-CB 3.25Å; P323-Y326 PolarHBondContact O-N 3.07Å; P323-Y326 VanDerWaalsContact O-N 3.1Å; P323-L329 HydrophobicContact CB-CD1 4.39Å; P323-L329 HydrophobicContact CG-CD1 4Å; P323-Y369 HydrophobicContact CB-CD1 4.46Å; P323-Y369 HydrophobicContact CB-CE1 3.61Å; P323-Y369 HydrophobicContact CB-CE2 4.36Å
324A98Very high98.2Very high100 Ų10047.8 Ų47.883%0.82626%0.264SS*.THydrogen-bonded Turntrans-58.4-37.6-179.800000111.2Y326 Y369A324-Y326 VanDerWaalsContact C-N 3.31Å; A324-Y326 PolarHBondContact O-N 2.82Å; A324-Y369 PolarHBondContact N-OH 2.79Å
325D98.2Very high98.2Very high45 Ų4549.4 Ų49.424%0.24128%0.279CS..THydrogen-bonded Turntrans-90.919.2-179.3-53.1-84.3000113.7P323 V327 E328 L329 Y369 K374P323-D325 PolarHBondContact O-N 2.97Å; D325-V327 VanDerWaalsContact C-N 3.28Å; D325-V327 PolarHBondContact O-N 2.72Å; D325-V327 VanDerWaalsContact O-N 3.11Å; D325-E328 PolarHBondContact O-N 2.82Å; D325-L329 HydrophobicContact CB-CD1 4.21Å; D325-L329 HydrophobicContact CB-CG 4.13Å; D325-L329 WeakPolarHBondContact O-CG 3.3Å; D325-L329 PolarHBondContact O-N 2.79Å; D325-Y369 PolarHBondContact N-OH 3.21Å; D325-Y369 PolarHBondContact OD2-OH 2.77Å; D325-K374 HydrophobicContact CB-CD 4.46Å; D325-K374 HydrophobicContact CB-CG 4.35Å; D325-K374 WeakPolarHBondContact OD1-CE 3.38Å; D325-K374 IonicContact OD1-NZ 3.17Å; D325-K374 PolarHBondContact OD1-NZ 3Å
326Y97.8Very high98.2Very high88 Ų8849.4 Ų49.435%0.34528%0.279SS..Hα-helixtrans-47.1-46-173.2162.4-96.3000114.3Y314 N322 P323 A324 E328 L329 A330Y314-Y326 HydrophobicContact CE2-CD2 4.03Å; Y314-Y326 HydrophobicContact CE2-CE2 4.37Å; N322-Y326 HydrophobicContact CB-CD2 4.18Å; N322-Y326 HydrophobicContact CB-CG 4.05Å; P323-Y326 VanDerWaalsContact O-CB 3.26Å; P323-Y326 WeakPolarHBondContact O-CB 3.25Å; P323-Y326 PolarHBondContact O-N 3.07Å; P323-Y326 VanDerWaalsContact O-N 3.1Å; A324-Y326 VanDerWaalsContact C-N 3.31Å; A324-Y326 PolarHBondContact O-N 2.82Å; Y326-E328 VanDerWaalsContact C-N 3.33Å; Y326-E328 PolarHBondContact O-N 3Å; Y326-L329 PolarHBondContact O-N 2.98Å; Y326-A330 HydrophobicContact CE2-CB 4.29Å; Y326-A330 WeakPolarHBondContact O-CB 3.34Å; Y326-A330 PolarHBondContact O-N 2.87Å
327V98.3Very high98.2Very high107 Ų10748.8 Ų48.865%0.64828%0.279SS*.Hα-helixtrans-62.5-42.8-176.3176.70000111D325 T331D325-V327 VanDerWaalsContact C-N 3.28Å; D325-V327 PolarHBondContact O-N 2.72Å; D325-V327 VanDerWaalsContact O-N 3.11Å; V327-T331 WeakPolarHBondContact O-CB 3.4Å; V327-T331 PolarHBondContact O-N 3.35Å; V327-T331 VanDerWaalsContact O-N 3.07Å; V327-T331 PolarHBondContact O-OG1 3.42Å
328E98.6Very high98.2Very high41 Ų4152.5 Ų52.519%0.19230%0.304CS..Hα-helixtrans-71.6-47.4-179.6-171.6177.6162.500111.1D325 Y326 A330 T331 L332 K374 Y375 H413D325-E328 PolarHBondContact O-N 2.82Å; Y326-E328 VanDerWaalsContact C-N 3.33Å; Y326-E328 PolarHBondContact O-N 3Å; E328-A330 VanDerWaalsContact C-N 3.33Å; E328-A330 PolarHBondContact O-N 3.08Å; E328-T331 PolarHBondContact O-N 2.82Å; E328-L332 WeakPolarHBondContact O-CB 3.33Å; E328-L332 PolarHBondContact O-N 2.88Å; E328-K374 IonicContact OE1-NZ 2.77Å; E328-K374 WeakPolarHBondContact OE2-CE 3.23Å; E328-K374 IonicContact OE2-NZ 2.7Å; E328-K374 PolarHBondContact OE2-NZ 3.18Å; E328-Y375 VanDerWaalsContact OE1-CE1 3.31Å; E328-Y375 WeakPolarHBondContact OE1-CE1 3.29Å; E328-Y375 PolarHBondContact OE1-OH 3.43Å; E328-H413 IonicContact OE1-CD2 3.33Å; E328-H413 IonicContact OE1-CE1 2.64Å; E328-H413 IonicContact OE1-NE2 3.49Å; E328-H413 PolarHBondContact OE1-NE2 3.23Å
329L98.8Very high98.2Very high0 Ų051.8 Ų51.80%031%0.306CS..Hα-helixtrans-61.1-41.9178.5-63.2176.7000111.9Y314 P323 D325 Y326 G333 Y369 K374 Y375 F377Y314-L329 HydrophobicContact CD1-CB 4.35Å; Y314-L329 HydrophobicContact CD2-CB 4.09Å; Y314-L329 HydrophobicContact CD2-CD1 4.46Å; Y314-L329 HydrophobicContact CG-CB 3.98Å; P323-L329 HydrophobicContact CB-CD1 4.39Å; P323-L329 HydrophobicContact CG-CD1 4Å; D325-L329 HydrophobicContact CB-CD1 4.21Å; D325-L329 HydrophobicContact CB-CG 4.13Å; D325-L329 WeakPolarHBondContact O-CG 3.3Å; D325-L329 PolarHBondContact O-N 2.79Å; Y326-L329 PolarHBondContact O-N 2.98Å; L329-G333 PolarHBondContact O-N 3.2Å; L329-Y369 HydrophobicContact CD1-CE2 4.04Å; L329-K374 WeakPolarHBondContact CD2-O 3.31Å; L329-Y375 HydrophobicContact CD2-CD1 4.23Å; L329-F377 HydrophobicContact CB-CZ 4.26Å; L329-F377 HydrophobicContact CD2-CE2 3.91Å; L329-F377 HydrophobicContact CD2-CZ 3.79Å
330A98.6Very high98.3Very high4 Ų449 Ų493%0.03329%0.294CS..Hα-helixtrans-65.8-40.1176.800000112.3Y314 Y326 E328 K334Y314-A330 HydrophobicContact CE1-CB 4.25Å; Y314-A330 VanDerWaalsContact OH-CB 3.3Å; Y314-A330 WeakPolarHBondContact OH-CB 3.47Å; Y326-A330 HydrophobicContact CE2-CB 4.29Å; Y326-A330 WeakPolarHBondContact O-CB 3.34Å; Y326-A330 PolarHBondContact O-N 2.87Å; E328-A330 VanDerWaalsContact C-N 3.33Å; E328-A330 PolarHBondContact O-N 3.08Å; A330-K334 VanDerWaalsContact O-CG 3.26Å; A330-K334 WeakPolarHBondContact O-CG 3.27Å; A330-K334 PolarHBondContact O-N 2.95Å; A330-K334 VanDerWaalsContact O-N 3.1Å
331T98.8Very high98.4Very high89 Ų8952.7 Ų52.755%0.54630%0.298SS..Hα-helixtrans-67.8-46.8178.6-59.60000110.6V327 E328 K334 A335V327-T331 WeakPolarHBondContact O-CB 3.4Å; V327-T331 PolarHBondContact O-N 3.35Å; V327-T331 VanDerWaalsContact O-N 3.07Å; V327-T331 PolarHBondContact O-OG1 3.42Å; E328-T331 PolarHBondContact O-N 2.82Å; T331-K334 PolarHBondContact O-N 3.38Å; T331-A335 PolarHBondContact O-N 3.02Å
332L98.8Very high98.5Very high8 Ų852.9 Ų52.94%0.04230%0.303CS..Hα-helixtrans-63.8-44177.7-177.957000111.8E328 K334 A335 A336 Y375 F377 T409 I410 H413E328-L332 WeakPolarHBondContact O-CB 3.33Å; E328-L332 PolarHBondContact O-N 2.88Å; L332-K334 VanDerWaalsContact C-N 3.31Å; L332-K334 PolarHBondContact O-N 3.17Å; L332-A335 WeakPolarHBondContact O-CB 3.46Å; L332-A335 PolarHBondContact O-N 3.18Å; L332-A336 WeakPolarHBondContact O-CB 3.48Å; L332-A336 PolarHBondContact O-N 3.46Å; L332-Y375 HydrophobicContact CD2-CD1 3.94Å; L332-Y375 HydrophobicContact CD2-CE1 4.24Å; L332-F377 HydrophobicContact CB-CZ 4.35Å; L332-F377 HydrophobicContact CD2-CE2 4Å; L332-F377 HydrophobicContact CD2-CZ 4.1Å; L332-F377 HydrophobicContact CG-CZ 4.28Å; L332-T409 HydrophobicContact CD1-CG2 4.41Å; L332-I410 HydrophobicContact CD2-CG1 4.5Å; L332-I410 HydrophobicContact CD2-CG2 4.23Å; L332-I410 HydrophobicContact CG-CG1 4.27Å; L332-H413 HydrophobicContact CD1-CB 3.54Å; L332-H413 HydrophobicContact CD2-CB 3.96Å; L332-H413 HydrophobicContact CG-CB 4.41Å
333G98.8Very high98.6Very high0 Ų052 Ų520%030%0.297CS..Hα-helixtrans-59-40.9175.200000112.5L312 L329 A336 A337L312-G333 WeakPolarHBondContact CD2-O 3.24Å; L329-G333 PolarHBondContact O-N 3.2Å; G333-A336 PolarHBondContact O-N 3Å; G333-A337 WeakPolarHBondContact O-CB 3.47Å; G333-A337 PolarHBondContact O-N 3.21Å
334K98.9Very high98.6Very high125 Ų12556.9 Ų56.954%0.54332%0.316SS..Hα-helixtrans-66.9-38.5175.2-73.9170.1-175.8174.80112.7A330 T331 L332 S338 V350A330-K334 VanDerWaalsContact O-CG 3.26Å; A330-K334 WeakPolarHBondContact O-CG 3.27Å; A330-K334 PolarHBondContact O-N 2.95Å; A330-K334 VanDerWaalsContact O-N 3.1Å; T331-K334 PolarHBondContact O-N 3.38Å; L332-K334 VanDerWaalsContact C-N 3.31Å; L332-K334 PolarHBondContact O-N 3.17Å; K334-S338 WeakPolarHBondContact O-CB 3.29Å; K334-S338 PolarHBondContact O-N 3.33Å; K334-S338 PolarHBondContact O-OG 3.16Å; K334-V350 HydrophobicContact CG-CB 4.42Å; K334-V350 HydrophobicContact CG-CG1 4.3Å
335A98.9Very high98.7Very high41 Ų4154.2 Ų54.234%0.33930%0.299SS..Hα-helixtrans-63-49.4174.900000110.6T331 L332 A337 S338 S339 T409T331-A335 PolarHBondContact O-N 3.02Å; L332-A335 WeakPolarHBondContact O-CB 3.46Å; L332-A335 PolarHBondContact O-N 3.18Å; A335-A337 PolarHBondContact O-N 2.82Å; A335-S338 WeakPolarHBondContact O-CB 3.39Å; A335-S338 PolarHBondContact O-N 2.88Å; A335-S338 VanDerWaalsContact O-N 3.11Å; A335-S339 PolarHBondContact O-N 3.41Å; A335-S339 PolarHBondContact O-OG 2.74Å; A335-T409 HydrophobicContact CB-CG2 4.08Å
336A98.9Very high98.7Very high0 Ų052.7 Ų52.70%029%0.291CS..Hα-helixtrans-60.5-44.4177.200000112.4L312 L332 G333 S338 S339 I340 T409 I410L312-A336 HydrophobicContact CD2-CB 3.63Å; L332-A336 WeakPolarHBondContact O-CB 3.48Å; L332-A336 PolarHBondContact O-N 3.46Å; G333-A336 PolarHBondContact O-N 3Å; A336-S338 VanDerWaalsContact C-N 3.28Å; A336-S338 PolarHBondContact O-N 3.36Å; A336-S339 WeakPolarHBondContact O-CB 3.2Å; A336-S339 PolarHBondContact O-N 2.47Å; A336-S339 VanDerWaalsContact O-N 3.17Å; A336-I340 WeakPolarHBondContact O-CG1 3.18Å; A336-I340 PolarHBondContact O-N 3.41Å; A336-T409 HydrophobicContact CB-CG2 4.31Å; A336-I410 HydrophobicContact CB-CD1 4.18Å; A336-I410 HydrophobicContact CB-CG1 3.91Å
337A98.9Very high98.7Very high10 Ų1052.6 Ų52.68%0.08330%0.299CS..Hα-helixtrans-62-34.4174.700000112.9G333 A335 R341 V350G333-A337 WeakPolarHBondContact O-CB 3.47Å; G333-A337 PolarHBondContact O-N 3.21Å; A335-A337 PolarHBondContact O-N 2.82Å; A337-R341 WeakPolarHBondContact O-CB 2.85Å; A337-R341 PolarHBondContact O-N 2.92Å; A337-V350 HydrophobicContact CB-CG2 3.5Å
338S98.9Very high98.7Very high77 Ų7748.2 Ų48.254%0.53827%0.271SS..Hα-helixtrans-68.3-39.9174.5-580000111.6K334 A335 A336 R341 S342K334-S338 WeakPolarHBondContact O-CB 3.29Å; K334-S338 PolarHBondContact O-N 3.33Å; K334-S338 PolarHBondContact O-OG 3.16Å; A335-S338 WeakPolarHBondContact O-CB 3.39Å; A335-S338 PolarHBondContact O-N 2.88Å; A335-S338 VanDerWaalsContact O-N 3.11Å; A336-S338 VanDerWaalsContact C-N 3.28Å; A336-S338 PolarHBondContact O-N 3.36Å; S338-R341 PolarHBondContact O-N 3.12Å; S338-S342 PolarHBondContact O-N 3.26Å
339S98.8Very high98.7Very high34 Ų3451 Ų5124%0.23828%0.283CS..Hα-helixtrans-62.4-43.9173.8-59.90000112A335 A336 R341 S342 L405 T409A335-S339 PolarHBondContact O-N 3.41Å; A335-S339 PolarHBondContact O-OG 2.74Å; A336-S339 WeakPolarHBondContact O-CB 3.2Å; A336-S339 PolarHBondContact O-N 2.47Å; A336-S339 VanDerWaalsContact O-N 3.17Å; S339-R341 PolarHBondContact O-N 2.78Å; S339-S342 WeakPolarHBondContact O-CB 3.31Å; S339-S342 PolarHBondContact O-N 2.03Å; S339-S342 PolarHBondContact O-OG 2.89Å; S339-L405 WeakPolarHBondContact O-CD1 3.39Å; S339-T409 VanDerWaalsContact CB-OG1 3.31Å; S339-T409 WeakPolarHBondContact CB-OG1 3.31Å; S339-T409 PolarHBondContact OG-OG1 3.42Å
340I98.8Very high98.7Very high0 Ų052.6 Ų52.60%029%0.293CS..Hα-helixtrans-57.4-50.6173.6-64.8166.2000110.3A336 S342 L343 Y348 F379 E402A336-I340 WeakPolarHBondContact O-CG1 3.18Å; A336-I340 PolarHBondContact O-N 3.41Å; I340-S342 PolarHBondContact O-N 3.23Å; I340-S342 VanDerWaalsContact O-N 3.17Å; I340-L343 PolarHBondContact O-N 3.47Å; I340-Y348 HydrophobicContact CD1-CD1 4.18Å; I340-Y348 HydrophobicContact CD1-CD2 4.36Å; I340-Y348 HydrophobicContact CD1-CE1 4.27Å; I340-Y348 HydrophobicContact CD1-CE2 4.44Å; I340-Y348 HydrophobicContact CD1-CG 4.25Å; I340-Y348 HydrophobicContact CG2-CD2 3.76Å; I340-Y348 HydrophobicContact CG2-CE2 3.57Å; I340-F379 HydrophobicContact CD1-CD1 4.45Å; I340-F379 HydrophobicContact CD1-CE1 3.97Å; I340-E402 WeakPolarHBondContact CG1-O 3.27Å; I340-E402 HydrophobicContact CG2-CB 3.98Å; I340-E402 HydrophobicContact CG2-CG 3.87Å
341R98.8Very high98.7Very high151 Ų15152.7 Ų52.757%0.5729%0.294SS*.Hα-helixtrans-60.1-29.2-178.5-174.4178173.9-158.6-2.3113A337 S338 S339 L343 G345 T346A337-R341 WeakPolarHBondContact O-CB 2.85Å; A337-R341 PolarHBondContact O-N 2.92Å; S338-R341 PolarHBondContact O-N 3.12Å; S339-R341 PolarHBondContact O-N 2.78Å; R341-L343 PolarHBondContact O-N 3.18Å; R341-G345 WeakPolarHBondContact O-CA 3.42Å; R341-G345 PolarHBondContact O-N 3Å; R341-T346 VanDerWaalsContact CA-O 3.28Å; R341-T346 WeakPolarHBondContact CA-O 3.41Å; R341-T346 WeakPolarHBondContact CB-O 3.48Å
342S98.8Very high98.7Very high90 Ų9048.8 Ų48.863%0.62927%0.271SS*.Hα-helixtrans-61.8-25.5-174.975.90000114.3S338 S339 I340S338-S342 PolarHBondContact O-N 3.26Å; S339-S342 WeakPolarHBondContact O-CB 3.31Å; S339-S342 PolarHBondContact O-N 2.03Å; S339-S342 PolarHBondContact O-OG 2.89Å; I340-S342 PolarHBondContact O-N 3.23Å; I340-S342 VanDerWaalsContact O-N 3.17Å
343L98.4Very high98.6Very high76 Ų7649.3 Ų49.340%0.39827%0.273SS..Hα-helixtrans-86.9-53.1-174.5-167.862.2000112.7I340 R341 E401 E402 L405I340-L343 PolarHBondContact O-N 3.47Å; R341-L343 PolarHBondContact O-N 3.18Å; L343-E401 HydrophobicContact CD2-CB 3.63Å; L343-E402 HydrophobicContact CB-CB 4.35Å; L343-E402 HydrophobicContact CD2-CB 4.25Å; L343-L405 HydrophobicContact CB-CD1 3.91Å; L343-L405 HydrophobicContact CD2-CD1 4.31Å
344Y98.6Very high98.5Very high108 Ų10850.4 Ų50.442%0.42428%0.28SS..Hα-helixtrans-1245.1-173.6-62.2-55.5000114.3T346 P398 E401 E402Y344-T346 PolarHBondContact O-N 3.29Å; Y344-P398 HydrophobicContact CD2-CB 4.11Å; Y344-P398 HydrophobicContact CE2-CB 3.78Å; Y344-P398 VanDerWaalsContact CE2-O 3.31Å; Y344-P398 WeakPolarHBondContact CE2-O 3.33Å; Y344-E401 HydrophobicContact CE2-CB 4.35Å; Y344-E401 PolarHBondContact OH-OE2 3.33Å; Y344-E402 HydrophobicContact CD2-CB 4.09Å
345G98.5Very high98.2Very high45 Ų4548.2 Ų48.246%0.46428%0.281SS..  trans76.53.6-176.800000114.5R341 T347R341-G345 WeakPolarHBondContact O-CA 3.42Å; R341-G345 PolarHBondContact O-N 3Å; G345-T347 PolarHBondContact O-N 2.77Å; G345-T347 PolarHBondContact O-OG1 3.38Å
346T98.6Very high97.9Very high12 Ų1246.5 Ų46.57%0.07427%0.266CS..  trans-60123.6178.9-45.30000110.7Q310 R341 Y344 Y348 R382 E402Q310-T346 VanDerWaalsContact CD-CG2 3.47Å; Q310-T346 HydrophobicContact CG-CG2 4.15Å; R341-T346 VanDerWaalsContact CA-O 3.28Å; R341-T346 WeakPolarHBondContact CA-O 3.41Å; R341-T346 WeakPolarHBondContact CB-O 3.48Å; Y344-T346 PolarHBondContact O-N 3.29Å; T346-Y348 HydrophobicContact CG2-CD2 4.14Å; T346-Y348 HydrophobicContact CG2-CE2 3.69Å; T346-R382 HydrophobicContact CG2-CG 4.32Å; T346-R382 PolarHBondContact OG1-NH2 3.4Å; T346-E402 WeakPolarHBondContact CB-OE2 3.27Å; T346-E402 WeakPolarHBondContact CG2-OE1 3.34Å; T346-E402 VanDerWaalsContact OG1-CD 3.32Å; T346-E402 PolarHBondContact OG1-OE1 3.1Å; T346-E402 PolarHBondContact OG1-OE2 2.92Å
347T98.6Very high97.5Very high86 Ų8647.6 Ų47.653%0.52827%0.272SS..  trans-99.5125.6-175.7-61.60000110Q310 G345Q310-T347 WeakPolarHBondContact CB-O 3.27Å; Q310-T347 PolarHBondContact NE2-O 3.32Å; G345-T347 PolarHBondContact O-N 2.77Å; G345-T347 PolarHBondContact O-OG1 3.38Å
348Y98.7Very high97.1Very high15 Ų1549 Ų496%0.05928%0.275CS..  trans-106.1135.9174.9-83.1-121.9000110.7Q310 L312 I340 T346 E380 L381Q310-Y348 HydrophobicContact CB-CD1 4.46Å; Q310-Y348 HydrophobicContact CB-CD2 3.99Å; Q310-Y348 HydrophobicContact CB-CE1 4.47Å; Q310-Y348 HydrophobicContact CB-CE2 4.01Å; Q310-Y348 HydrophobicContact CB-CG 4.22Å; Q310-Y348 HydrophobicContact CG-CD2 4.49Å; Q310-Y348 HydrophobicContact CG-CE2 4.08Å; Q310-Y348 CarbonylContact O-C 3.51Å; Q310-Y348 WeakPolarHBondContact O-CA 3.27Å; L312-Y348 HydrophobicContact CB-CD1 4.25Å; I340-Y348 HydrophobicContact CD1-CD1 4.18Å; I340-Y348 HydrophobicContact CD1-CD2 4.36Å; I340-Y348 HydrophobicContact CD1-CE1 4.27Å; I340-Y348 HydrophobicContact CD1-CE2 4.44Å; I340-Y348 HydrophobicContact CD1-CG 4.25Å; I340-Y348 HydrophobicContact CG2-CD2 3.76Å; I340-Y348 HydrophobicContact CG2-CE2 3.57Å; T346-Y348 HydrophobicContact CG2-CD2 4.14Å; T346-Y348 HydrophobicContact CG2-CE2 3.69Å; Y348-E380 WeakPolarHBondContact CE1-O 3.24Å; Y348-L381 WeakPolarHBondContact OH-CA 3.28Å
349K98.4Very high96.9Very high99 Ų9948.9 Ų48.943%0.4327%0.266SS..EExtended strand (participates in β ladder)trans-83.6134.1168.1-176.6-175.3173.5-1670109Q310 L311 L312 T356Q310-K349 PolarHBondContact O-N 3.33Å; L311-K349 WeakPolarHBondContact CA-O 3.25Å; L311-K349 HydrophobicContact CD2-CB 3.75Å; L311-K349 HydrophobicContact CD2-CD 4.32Å; L311-K349 HydrophobicContact CD2-CG 4.5Å; L312-K349 PolarHBondContact N-O 3.44Å; K349-T356 HydrophobicContact CD-CG2 3.82Å; K349-T356 HydrophobicContact CG-CG2 4Å; K349-T356 PolarHBondContact NZ-O 2.85Å
350V98.7Very high96.8Very high35 Ų3547.7 Ų47.721%0.21226%0.259CS..EExtended strand (participates in β ladder)trans-115.5135.3-176.9-178.70000110.6L312 Y314 K334 A337L312-V350 HydrophobicContact CB-CG2 4.31Å; L312-V350 VanDerWaalsContact O-CA 3.32Å; L312-V350 WeakPolarHBondContact O-CA 3.39Å; Y314-V350 HydrophobicContact CE1-CG1 3.96Å; K334-V350 HydrophobicContact CG-CB 4.42Å; K334-V350 HydrophobicContact CG-CG1 4.3Å; A337-V350 HydrophobicContact CB-CG2 3.5Å
351G98.2Very high96.8Very high6 Ų647.8 Ų47.86%0.06226%0.259CS..EExtended strand (participates in β ladder)trans171.9-175174.300000113.8L312 M313 Y314 T356L312-G351 PolarHBondContact O-N 3.28Å; M313-G351 VanDerWaalsContact CA-O 3.25Å; M313-G351 WeakPolarHBondContact CA-O 3.32Å; Y314-G351 VanDerWaalsContact CZ-C 3.47Å; Y314-G351 PolarHBondContact N-O 3Å; Y314-G351 VanDerWaalsContact N-O 3.17Å; G351-T356 WeakPolarHBondContact CA-OG1 3.18Å
352S97.9Very high96.8Very high7 Ų740.6 Ų40.65%0.04923%0.232CC..EExtended strand (participates in β ladder)trans-69.8151.417164.20000110.6Y314 C354 S355 T356Y314-S352 CarbonylContact O-C 3.55Å; Y314-S352 VanDerWaalsContact O-CA 3.23Å; Y314-S352 WeakPolarHBondContact O-CA 3.35Å; S352-C354 PolarHBondContact O-N 2.96Å; S352-S355 PolarHBondContact O-N 3.35Å; S352-S355 PolarHBondContact O-OG 3.19Å; S352-S355 VanDerWaalsContact O-OG 3.12Å; S352-S355 PolarHBondContact OG-OG 2.72Å; S352-T356 WeakPolarHBondContact O-CB 3.48Å; S352-T356 PolarHBondContact O-N 3Å; S352-T356 PolarHBondContact O-OG1 2.96Å
353I97.8Very high96.8Very high19 Ų1936.6 Ų36.610%0.09721%0.205CC..Hα-helixtrans-52.2-54.1178.4-67.6171.1000110.9M313 Y314 Y316 S355 T356 I357 Y358 I365M313-I353 HydrophobicContact CB-CG1 3.83Å; M313-I353 HydrophobicContact SD-CG1 4.13Å; Y314-I353 PolarHBondContact O-N 2.89Å; Y316-I353 PolarHBondContact O-N 3.34Å; I353-S355 VanDerWaalsContact C-N 3.27Å; I353-S355 PolarHBondContact O-N 2.9Å; I353-T356 PolarHBondContact O-N 3.22Å; I353-T356 VanDerWaalsContact O-N 3.16Å; I353-I357 HydrophobicContact CG2-CG2 3.78Å; I353-I357 WeakPolarHBondContact O-CG2 3.26Å; I353-I357 PolarHBondContact O-N 3.48Å; I353-Y358 PolarHBondContact O-N 2.83Å; I353-I365 HydrophobicContact CD1-CD1 3.39Å; I353-I365 HydrophobicContact CD1-CG1 3.5Å; I353-I365 VanDerWaalsContact CD1-CG1 3.5Å; I353-I365 HydrophobicContact CG1-CD1 4.03Å
354C95.9Very high96.8Very high22 Ų2233.1 Ų33.115%0.14919%0.187CC..Hα-helixtrans-56.3-40.9-175.7173.20000112.9Y316 C320 S352 Y358Y316-C354 PolarHBondContact O-N 3.13Å; C320-C354 HydrophobicContact CB-CB 3.85Å; C320-C354 WeakPolarHBondContact CB-SG 3.39Å; C320-C354 WeakPolarHBondContact SG-CB 3.07Å; C320-C354 CovalentContact SG-SG 2.03Å; C320-C354 PolarHBondContact SG-SG 2.94Å; S352-C354 PolarHBondContact O-N 2.96Å; C354-Y358 WeakPolarHBondContact CA-O 3.34Å
355S92.4Very high96.8Very high80 Ų8028 Ų2856%0.55917%0.167SC*.Hα-helixtrans-82-25.5-177.864.60000114S352 I353S352-S355 PolarHBondContact O-N 3.35Å; S352-S355 PolarHBondContact O-OG 3.19Å; S352-S355 VanDerWaalsContact O-OG 3.12Å; S352-S355 PolarHBondContact OG-OG 2.72Å; I353-S355 VanDerWaalsContact C-N 3.27Å; I353-S355 PolarHBondContact O-N 2.9Å
356T92.7Very high96.8Very high4 Ų426 Ų263%0.02515%0.145CC..Hα-helixtrans-89.6-42.1-171.9-55.80000111.7L311 M313 K349 G351 S352 I353L311-T356 HydrophobicContact CB-CG2 4.43Å; L311-T356 HydrophobicContact CD1-CG2 4.18Å; L311-T356 HydrophobicContact CD2-CG2 3.96Å; L311-T356 HydrophobicContact CG-CG2 4.42Å; M313-T356 HydrophobicContact CG-CG2 4.1Å; M313-T356 HydrophobicContact SD-CG2 4.3Å; K349-T356 HydrophobicContact CD-CG2 3.82Å; K349-T356 HydrophobicContact CG-CG2 4Å; K349-T356 PolarHBondContact NZ-O 2.85Å; G351-T356 WeakPolarHBondContact CA-OG1 3.18Å; S352-T356 WeakPolarHBondContact O-CB 3.48Å; S352-T356 PolarHBondContact O-N 3Å; S352-T356 PolarHBondContact O-OG1 2.96Å; I353-T356 PolarHBondContact O-N 3.22Å; I353-T356 VanDerWaalsContact O-N 3.16Å
357I90.9Very high96.9Very high24 Ų2425.8 Ų25.812%0.12314%0.144CC..THydrogen-bonded Turntrans-118.4-69.7-176.2-153.6-177.9000111.1S57 L61 L311 M313 I353S57-I357 PolarHBondContact OG-O 2.82Å; L61-I357 WeakPolarHBondContact CD1-O 3.42Å; L311-I357 HydrophobicContact CD1-CB 4.15Å; L311-I357 HydrophobicContact CD1-CD1 4.11Å; L311-I357 HydrophobicContact CD1-CG1 4.09Å; M313-I357 HydrophobicContact SD-CB 4.17Å; M313-I357 HydrophobicContact SD-CG2 3.99Å; I353-I357 HydrophobicContact CG2-CG2 3.78Å; I353-I357 WeakPolarHBondContact O-CG2 3.26Å; I353-I357 PolarHBondContact O-N 3.48Å
358Y91.1Very high96.9Very high38 Ų3821.7 Ų21.715%0.14912%0.118CC..  trans-177.7165.6176.654.7-90.6000110.5N55 S57 R255 I353 C354 A360N55-Y358 HydrophobicContact CB-CE1 4.42Å; N55-Y358 PolarHBondContact ND2-OH 2.9Å; S57-Y358 VanDerWaalsContact CB-CB 3.46Å; R255-Y358 PolarHBondContact NH2-OH 2.88Å; I353-Y358 PolarHBondContact O-N 2.83Å; C354-Y358 WeakPolarHBondContact CA-O 3.34Å; Y358-A360 HydrophobicContact CD2-CB 4.08Å; Y358-A360 HydrophobicContact CE2-CB 3.78Å; Y358-A360 PolarHBondContact O-N 2.91Å
359Q95.4Very high96.9Very high76 Ų7622 Ų2236%0.35512%0.12SC..  trans-66.4120.2173.1-171.6178.41600110.6P264 G265 G317 Y318P264-Q359 HydrophobicContact CB-CG 4.33Å; G265-Q359 VanDerWaalsContact CA-O 3.25Å; G265-Q359 WeakPolarHBondContact CA-O 3.3Å; G317-Q359 WeakPolarHBondContact O-CA 3.28Å; G317-Q359 WeakPolarHBondContact O-CG 3.34Å; Y318-Q359 PolarHBondContact O-NE2 3.31Å
360A96.4Very high96.9Very high9 Ų920.9 Ų20.97%0.07412%0.118CC..  trans-138.1119-175.700000110.7G317 Y318 Y358G317-A360 CarbonylContact C-O 3.6Å; G317-A360 PolarHBondContact O-N 2.86Å; Y318-A360 WeakPolarHBondContact CA-O 3.26Å; Y318-A360 PolarHBondContact N-O 3.37Å; Y358-A360 HydrophobicContact CD2-CB 4.08Å; Y358-A360 HydrophobicContact CE2-CB 3.78Å; Y358-A360 PolarHBondContact O-N 2.91Å
361S98.1Very high96.9Very high1 Ų124 Ų241%0.00713%0.127CC..SBendtrans-88.7154.7-179.6720000114R255 G260 G263 P264 A266R255-S361 WeakPolarHBondContact CD-O 3.43Å; G260-S361 VanDerWaalsContact O-CB 3.25Å; G260-S361 WeakPolarHBondContact O-CB 3.32Å; G263-S361 PolarHBondContact N-OG 3.27Å; G263-S361 PolarHBondContact O-OG 3.22Å; P264-S361 VanDerWaalsContact O-CB 3.3Å; P264-S361 WeakPolarHBondContact O-CB 3.43Å; P264-S361 PolarHBondContact O-N 3.46Å; P264-S361 PolarHBondContact O-OG 3.47Å; A266-S361 WeakPolarHBondContact CB-OG 3.39Å
362G98.5Very high96.9Very high0 Ų026.7 Ų26.70%016%0.155CC..SBendtrans71.228.5173.700000114.8N254 R255 N256 W257 A259N254-G362 CarbonylContact C-O 3.58Å; R255-G362 CarbonylContact C-O 3.56Å; R255-G362 VanDerWaalsContact CA-O 3.24Å; R255-G362 WeakPolarHBondContact CA-O 3.36Å; R255-G362 PolarHBondContact N-O 2.83Å; N256-G362 PolarHBondContact N-O 2.92Å; W257-G362 WeakPolarHBondContact CB-O 3.43Å; W257-G362 VanDerWaalsContact CD1-O 3.22Å; W257-G362 PolarHBondContact N-O 3.39Å; W257-G362 WeakPolarHBondContact O-CA 3.41Å; A259-G362 VanDerWaalsContact O-CA 3.28Å; A259-G362 WeakPolarHBondContact O-CA 3.4Å; A259-G362 PolarHBondContact O-N 2.91Å
363G98.7Very high96.9Very high7 Ų726.5 Ų26.57%0.07215%0.153CC..  trans-82.2152.4178.400000113.8N254 D366 W367N254-G363 WeakPolarHBondContact OD1-CA 3.14Å; G363-D366 PolarHBondContact O-N 3.23Å; G363-W367 PolarHBondContact O-N 2.87Å
364S98.9Very high97Very high2 Ų226.9 Ų26.91%0.01415%0.154CC..Hα-helixtrans-61.5-46.1-17759.80000113.4N254 W257 D366 W367 S368N254-S364 PolarHBondContact OD1-N 3.28Å; N254-S364 PolarHBondContact OD1-OG 2.84Å; W257-S364 VanDerWaalsContact CE2-CB 3.42Å; S364-D366 VanDerWaalsContact C-N 3.33Å; S364-D366 PolarHBondContact O-N 2.98Å; S364-W367 PolarHBondContact O-N 3.29Å; S364-S368 PolarHBondContact O-N 2.97Å; S364-S368 PolarHBondContact O-OG 2.94Å
365I98.8Very high97.1Very high2 Ų226 Ų261%0.0115%0.148CC..Hα-helixtrans-74-25.8-17673.9168.1000113.4F302 T304 P315 I353 S368 Y369 A378F302-I365 HydrophobicContact CD1-CG2 4.07Å; F302-I365 HydrophobicContact CE1-CG2 4.29Å; T304-I365 HydrophobicContact CG2-CG2 3.51Å; P315-I365 HydrophobicContact CG-CD1 4.3Å; P315-I365 HydrophobicContact CG-CG1 4.21Å; P315-I365 WeakPolarHBondContact CG-O 3.12Å; I353-I365 HydrophobicContact CD1-CD1 3.39Å; I353-I365 HydrophobicContact CD1-CG1 3.5Å; I353-I365 VanDerWaalsContact CD1-CG1 3.5Å; I353-I365 HydrophobicContact CG1-CD1 4.03Å; I365-S368 VanDerWaalsContact CA-OG 3.31Å; I365-S368 WeakPolarHBondContact CA-OG 3.38Å; I365-S368 PolarHBondContact O-OG 3.24Å; I365-Y369 VanDerWaalsContact O-CB 3.26Å; I365-Y369 WeakPolarHBondContact O-CB 3.33Å; I365-Y369 PolarHBondContact O-N 2.66Å; I365-Y369 VanDerWaalsContact O-N 3.09Å; I365-A378 HydrophobicContact CD1-CB 3.85Å; I365-A378 HydrophobicContact CG2-CB 4.1Å
366D98.9Very high97.4Very high1 Ų122.1 Ų22.11%0.00512%0.121CC..Hα-helixtrans-69-43.8172.5-74.3-12000109.7A259 Y316 G317 Y318 G363 S364 D370A259-D366 HydrophobicContact CB-CB 3.73Å; Y316-D366 WeakPolarHBondContact CA-OD1 3.24Å; Y316-D366 HydrophobicContact CD1-CB 4.44Å; G317-D366 VanDerWaalsContact CA-OD2 3.23Å; G317-D366 WeakPolarHBondContact CA-OD2 3.16Å; G317-D366 VanDerWaalsContact N-CG 3.28Å; G317-D366 PolarHBondContact N-OD1 3.46Å; G317-D366 PolarHBondContact N-OD2 2.68Å; Y318-D366 HydrophobicContact CD1-CB 3.84Å; Y318-D366 VanDerWaalsContact CD1-OD2 3.29Å; Y318-D366 WeakPolarHBondContact CD1-OD2 3.39Å; Y318-D366 HydrophobicContact CE1-CB 4.12Å; Y318-D366 PolarHBondContact N-OD2 2.89Å; G363-D366 PolarHBondContact O-N 3.23Å; S364-D366 VanDerWaalsContact C-N 3.33Å; S364-D366 PolarHBondContact O-N 2.98Å; D366-D370 WeakPolarHBondContact O-CB 3.28Å; D366-D370 PolarHBondContact O-N 3.23Å
367W98.9Very high97.7Very high9 Ų922 Ų223%0.03412%0.12CC..Hα-helixtrans-63.7-45.8175.2167.383000112.3W257 A259 V290 I293 F302 G363 S364 Y369 D370 Y371W257-W367 HydrophobicContact CB-CB 3.86Å; W257-W367 HydrophobicContact CB-CG 4.36Å; W257-W367 HydrophobicContact CE3-CB 4.11Å; W257-W367 AromaticContact CE3-CD2 3.56Å; W257-W367 HydrophobicContact CE3-CD2 3.56Å; W257-W367 AromaticContact CE3-CE3 3.4Å; W257-W367 HydrophobicContact CE3-CE3 3.4Å; W257-W367 AromaticContact CE3-CG 3.86Å; W257-W367 HydrophobicContact CE3-CG 3.86Å; W257-W367 HydrophobicContact CE3-CZ3 4.11Å; W257-W367 HydrophobicContact CH2-CE3 4.5Å; W257-W367 AromaticContact CZ3-CD2 3.91Å; W257-W367 HydrophobicContact CZ3-CD2 3.91Å; W257-W367 AromaticContact CZ3-CE3 3.32Å; W257-W367 HydrophobicContact CZ3-CE3 3.32Å; W257-W367 HydrophobicContact CZ3-CH2 4.31Å; W257-W367 AromaticContact CZ3-CZ3 3.56Å; W257-W367 HydrophobicContact CZ3-CZ3 3.56Å; A259-W367 HydrophobicContact CB-CB 3.89Å; V290-W367 HydrophobicContact CB-CH2 4.43Å; V290-W367 HydrophobicContact CB-CZ2 4.1Å; V290-W367 HydrophobicContact CG1-CZ2 3.84Å; V290-W367 HydrophobicContact CG2-CD2 4.4Å; V290-W367 HydrophobicContact CG2-CH2 4.12Å; V290-W367 HydrophobicContact CG2-CZ2 3.8Å; I293-W367 HydrophobicContact CB-CH2 3.94Å; I293-W367 HydrophobicContact CD1-CH2 3.83Å; I293-W367 HydrophobicContact CD1-CZ3 3.67Å; I293-W367 HydrophobicContact CG1-CH2 4.49Å; I293-W367 HydrophobicContact CG2-CH2 3.8Å; I293-W367 HydrophobicContact CG2-CZ3 4.42Å; F302-W367 HydrophobicContact CE2-CZ3 4.34Å; G363-W367 PolarHBondContact O-N 2.87Å; S364-W367 PolarHBondContact O-N 3.29Å; W367-Y369 VanDerWaalsContact C-N 3.31Å; W367-Y369 PolarHBondContact O-N 3.14Å; W367-D370 PolarHBondContact O-N 3.09Å; W367-Y371 HydrophobicContact CZ2-CG 4.38Å; W367-Y371 VanDerWaalsContact O-CB 3.23Å; W367-Y371 WeakPolarHBondContact O-CB 3.45Å; W367-Y371 PolarHBondContact O-N 2.83Å
368S98.9Very high98.1Very high0 Ų021 Ų210%012%0.116CC..Hα-helixtrans-64.9-39-178.660.70000111.1S364 I365 Y371 G372 I373 S376S364-S368 PolarHBondContact O-N 2.97Å; S364-S368 PolarHBondContact O-OG 2.94Å; I365-S368 VanDerWaalsContact CA-OG 3.31Å; I365-S368 WeakPolarHBondContact CA-OG 3.38Å; I365-S368 PolarHBondContact O-OG 3.24Å; S368-Y371 PolarHBondContact O-N 2.9Å; S368-G372 PolarHBondContact O-N 2.94Å; S368-I373 WeakPolarHBondContact O-CA 3.3Å; S368-I373 VanDerWaalsContact O-CB 3.27Å; S368-I373 WeakPolarHBondContact O-CB 3.28Å; S368-I373 PolarHBondContact O-N 3.39Å; S368-S376 VanDerWaalsContact OG-CB 3.3Å; S368-S376 WeakPolarHBondContact OG-CB 3.25Å; S368-S376 PolarHBondContact OG-OG 2.9Å
369Y98.9Very high98.5Very high22 Ų2219.2 Ų19.29%0.08611%0.109CC..Hα-helixtrans-68.3-47.2175.5-173.4-96.3000112.7P315 Y316 P323 A324 D325 L329 I365 W367 Y371 G372 K374 S376P315-Y369 HydrophobicContact CB-CD1 4.24Å; P315-Y369 HydrophobicContact CB-CG 4.17Å; P315-Y369 HydrophobicContact CG-CD1 4.38Å; P315-Y369 HydrophobicContact CG-CD2 4.27Å; P315-Y369 HydrophobicContact CG-CG 3.82Å; Y316-Y369 AromaticContact CE1-CD1 3.78Å; Y316-Y369 HydrophobicContact CE1-CD1 3.78Å; Y316-Y369 HydrophobicContact CE1-CE1 4.34Å; Y316-Y369 HydrophobicContact CE2-CD1 4.43Å; Y316-Y369 HydrophobicContact CE2-CE1 4.21Å; Y316-Y369 AromaticContact CZ-CD1 3.6Å; Y316-Y369 AromaticContact CZ-CE1 3.68Å; Y316-Y369 WeakPolarHBondContact OH-CD1 3.11Å; Y316-Y369 VanDerWaalsContact OH-CE1 3.29Å; Y316-Y369 WeakPolarHBondContact OH-CE1 3.34Å; P323-Y369 HydrophobicContact CB-CD1 4.46Å; P323-Y369 HydrophobicContact CB-CE1 3.61Å; P323-Y369 HydrophobicContact CB-CE2 4.36Å; A324-Y369 PolarHBondContact N-OH 2.79Å; D325-Y369 PolarHBondContact N-OH 3.21Å; D325-Y369 PolarHBondContact OD2-OH 2.77Å; L329-Y369 HydrophobicContact CD1-CE2 4.04Å; I365-Y369 VanDerWaalsContact O-CB 3.26Å; I365-Y369 WeakPolarHBondContact O-CB 3.33Å; I365-Y369 PolarHBondContact O-N 2.66Å; I365-Y369 VanDerWaalsContact O-N 3.09Å; W367-Y369 VanDerWaalsContact C-N 3.31Å; W367-Y369 PolarHBondContact O-N 3.14Å; Y369-Y371 PolarHBondContact O-N 3.29Å; Y369-G372 PolarHBondContact O-N 2.89Å; Y369-K374 WeakPolarHBondContact CD2-O 3.26Å; Y369-S376 PolarHBondContact N-OG 3.21Å
370D98.8Very high98.6Very high74 Ų7416.8 Ų16.840%0.39610%0.097SC..Hα-helixtrans-61.8-27.1175.2-81.3-20.7000111.7Y316 Y318 D366 W367 G372Y316-D370 VanDerWaalsContact CE1-OD1 3.24Å; Y316-D370 WeakPolarHBondContact CE1-OD1 3.25Å; Y316-D370 PolarHBondContact OH-OD1 2.95Å; Y316-D370 VanDerWaalsContact OH-OD1 3.11Å; Y318-D370 WeakPolarHBondContact CE1-OD2 3.48Å; Y318-D370 PolarHBondContact OH-OD2 3.34Å; D366-D370 WeakPolarHBondContact O-CB 3.28Å; D366-D370 PolarHBondContact O-N 3.23Å; W367-D370 PolarHBondContact O-N 3.09Å; D370-G372 VanDerWaalsContact C-N 3.32Å
371Y98.6Very high98.8Very high100 Ų10016.3 Ų16.339%0.3929%0.094SC..THydrogen-bonded Turntrans-76.2-15.2173.6-173.1-113.9000113.9I293 K294 W367 S368 Y369 I373I293-Y371 HydrophobicContact CG2-CD1 4.22Å; I293-Y371 HydrophobicContact CG2-CE1 4.1Å; K294-Y371 HydrophobicContact CD-CE2 4.42Å; K294-Y371 HydrophobicContact CG-CE1 4.2Å; K294-Y371 HydrophobicContact CG-CE2 3.96Å; W367-Y371 HydrophobicContact CZ2-CG 4.38Å; W367-Y371 VanDerWaalsContact O-CB 3.23Å; W367-Y371 WeakPolarHBondContact O-CB 3.45Å; W367-Y371 PolarHBondContact O-N 2.83Å; S368-Y371 PolarHBondContact O-N 2.9Å; Y369-Y371 PolarHBondContact O-N 3.29Å; Y371-I373 HydrophobicContact CD1-CG1 4.48Å
372G98.4Very high98.8Very high63 Ų6317.7 Ų17.765%0.64910%0.098SC*.THydrogen-bonded Turntrans112.57.317800000115.3S368 Y369 D370 K374S368-G372 PolarHBondContact O-N 2.94Å; Y369-G372 PolarHBondContact O-N 2.89Å; D370-G372 VanDerWaalsContact C-N 3.32Å; G372-K374 PolarHBondContact O-N 2.97Å
373I98.8Very high98.8Very high4 Ų418.2 Ų18.22%0.02110%0.102CC..  trans-85.891.2174.7-52.7177.7000108.5I293 I299 L300 F302 S368 Y371 Y375 S376I293-I373 HydrophobicContact CG2-CD1 3.69Å; I299-I373 HydrophobicContact CB-CD1 3.92Å; I299-I373 HydrophobicContact CG2-CD1 3.85Å; I299-I373 HydrophobicContact CG2-CG2 4.36Å; L300-I373 WeakPolarHBondContact O-CG2 3.44Å; F302-I373 HydrophobicContact CB-CG2 4.04Å; S368-I373 WeakPolarHBondContact O-CA 3.3Å; S368-I373 VanDerWaalsContact O-CB 3.27Å; S368-I373 WeakPolarHBondContact O-CB 3.28Å; S368-I373 PolarHBondContact O-N 3.39Å; Y371-I373 HydrophobicContact CD1-CG1 4.48Å; I373-Y375 PolarHBondContact O-N 3.27Å; I373-S376 PolarHBondContact O-OG 2.85Å
374K98.6Very high98.7Very high27 Ų2720.9 Ų20.912%0.11712%0.116CC..SBendtrans-53.2-49.2-174.5175.1171.2171153.50113.3D325 E328 L329 Y369 G372 S376D325-K374 HydrophobicContact CB-CD 4.46Å; D325-K374 HydrophobicContact CB-CG 4.35Å; D325-K374 WeakPolarHBondContact OD1-CE 3.38Å; D325-K374 IonicContact OD1-NZ 3.17Å; D325-K374 PolarHBondContact OD1-NZ 3Å; E328-K374 IonicContact OE1-NZ 2.77Å; E328-K374 WeakPolarHBondContact OE2-CE 3.23Å; E328-K374 IonicContact OE2-NZ 2.7Å; E328-K374 PolarHBondContact OE2-NZ 3.18Å; L329-K374 WeakPolarHBondContact CD2-O 3.31Å; Y369-K374 WeakPolarHBondContact CD2-O 3.26Å; G372-K374 PolarHBondContact O-N 2.97Å; K374-S376 VanDerWaalsContact C-N 3.29Å; K374-S376 PolarHBondContact O-N 2.99Å
375Y98.8Very high98.6Very high2 Ų220.8 Ų20.81%0.00812%0.116CC..EExtended strand (participates in β ladder)trans-86.469.4-175.4-56.5-68.8000111.3L300 A301 F302 E328 L329 L332 I373 H413 V414 N417L300-Y375 WeakPolarHBondContact O-CD2 3.31Å; A301-Y375 CarbonylContact C-O 3.6Å; A301-Y375 WeakPolarHBondContact CA-O 3.37Å; A301-Y375 WeakPolarHBondContact CB-O 3.39Å; F302-Y375 PolarHBondContact N-O 2.92Å; E328-Y375 VanDerWaalsContact OE1-CE1 3.31Å; E328-Y375 WeakPolarHBondContact OE1-CE1 3.29Å; E328-Y375 PolarHBondContact OE1-OH 3.43Å; L329-Y375 HydrophobicContact CD2-CD1 4.23Å; L332-Y375 HydrophobicContact CD2-CD1 3.94Å; L332-Y375 HydrophobicContact CD2-CE1 4.24Å; I373-Y375 PolarHBondContact O-N 3.27Å; Y375-H413 AromaticContact CE1-CD2 3.44Å; Y375-H413 VanDerWaalsContact CE1-CD2 3.44Å; Y375-H413 WeakPolarHBondContact CE1-CD2 3.11Å; Y375-H413 AromaticContact CE1-NE2 3.59Å; Y375-H413 AromaticContact CZ-CD2 3.64Å; Y375-H413 AromaticContact CZ-NE2 3.79Å; Y375-H413 PolarHBondContact OH-NE2 3.1Å; Y375-V414 HydrophobicContact CD1-CG2 4.47Å; Y375-V414 HydrophobicContact CD2-CB 4.27Å; Y375-V414 HydrophobicContact CD2-CG1 4.11Å; Y375-V414 HydrophobicContact CD2-CG2 3.6Å; Y375-V414 HydrophobicContact CE2-CG2 4.26Å; Y375-V414 HydrophobicContact CG-CG2 3.71Å; Y375-N417 VanDerWaalsContact OH-CB 3.32Å; Y375-N417 WeakPolarHBondContact OH-CB 3.22Å
376S98.9Very high98.4Very high0 Ų025.4 Ų25.40%014%0.141CC..EExtended strand (participates in β ladder)trans-102.3115.7178.9-66.60000110.8F302 P315 S368 Y369 I373 K374F302-S376 CarbonylContact O-C 3.56Å; F302-S376 VanDerWaalsContact O-CA 3.28Å; F302-S376 WeakPolarHBondContact O-CA 3.48Å; P315-S376 VanDerWaalsContact CD-O 3.24Å; P315-S376 WeakPolarHBondContact CD-O 3.37Å; S368-S376 VanDerWaalsContact OG-CB 3.3Å; S368-S376 WeakPolarHBondContact OG-CB 3.25Å; S368-S376 PolarHBondContact OG-OG 2.9Å; Y369-S376 PolarHBondContact N-OG 3.21Å; I373-S376 PolarHBondContact O-OG 2.85Å; K374-S376 VanDerWaalsContact C-N 3.29Å; K374-S376 PolarHBondContact O-N 2.99Å
377F98.9Very high98.3Very high0 Ų029.5 Ų29.50%016%0.157CC..EExtended strand (participates in β ladder)trans-133.8142.5-176.8-71-90.9000112.5F302 L303 T304 L312 M313 Y314 L329 L332 F379 I410F302-F377 PolarHBondContact O-N 2.79Å; L303-F377 WeakPolarHBondContact CA-O 3.45Å; L303-F377 HydrophobicContact CD2-CB 3.93Å; L303-F377 HydrophobicContact CD2-CD2 4.17Å; T304-F377 PolarHBondContact N-O 2.85Å; L312-F377 HydrophobicContact CD1-CB 4.18Å; L312-F377 HydrophobicContact CD1-CD1 3.94Å; L312-F377 HydrophobicContact CD1-CG 4.43Å; L312-F377 HydrophobicContact CG-CD1 4.44Å; M313-F377 CarbonylContact O-C 3.54Å; M313-F377 VanDerWaalsContact O-CA 3.27Å; M313-F377 WeakPolarHBondContact O-CA 3.48Å; M313-F377 WeakPolarHBondContact O-CD1 3.34Å; Y314-F377 HydrophobicContact CD1-CD1 4.47Å; Y314-F377 AromaticContact CD1-CE1 3.97Å; Y314-F377 HydrophobicContact CD1-CE1 3.97Å; Y314-F377 HydrophobicContact CG-CE1 4.37Å; L329-F377 HydrophobicContact CB-CZ 4.26Å; L329-F377 HydrophobicContact CD2-CE2 3.91Å; L329-F377 HydrophobicContact CD2-CZ 3.79Å; L332-F377 HydrophobicContact CB-CZ 4.35Å; L332-F377 HydrophobicContact CD2-CE2 4Å; L332-F377 HydrophobicContact CD2-CZ 4.1Å; L332-F377 HydrophobicContact CG-CZ 4.28Å; F377-F379 HydrophobicContact CB-CE2 4.32Å; F377-I410 HydrophobicContact CB-CD1 4.36Å; F377-I410 HydrophobicContact CD1-CD1 4.46Å; F377-I410 HydrophobicContact CD2-CD1 4.07Å; F377-I410 HydrophobicContact CD2-CG2 4.2Å; F377-I410 HydrophobicContact CE2-CD1 4.49Å; F377-I410 HydrophobicContact CE2-CG2 4.3Å; F377-I410 HydrophobicContact CG-CD1 4.05Å
378A98.9Very high98.2Very high5 Ų529.1 Ų29.14%0.04116%0.155CC..EExtended strand (participates in β ladder)trans-114.6132.2170.600000110.2T304 M313 I365T304-A378 HydrophobicContact CG2-CB 3.63Å; T304-A378 WeakPolarHBondContact O-CA 3.39Å; M313-A378 HydrophobicContact CE-CB 4.35Å; M313-A378 PolarHBondContact N-O 3.07Å; M313-A378 PolarHBondContact O-N 3.2Å; I365-A378 HydrophobicContact CD1-CB 3.85Å; I365-A378 HydrophobicContact CG2-CB 4.1Å
379F98.9Very high98.2Very high0 Ų029.4 Ų29.40%016%0.156CC..EExtended strand (participates in β ladder)trans-104.1128.9174.1-72.5-109.5000108.9T304 L305 H306 L311 L312 I340 F377 L381 T403 L407 I410T304-F379 PolarHBondContact O-N 3.44Å; L305-F379 HydrophobicContact CD2-CB 3.77Å; L305-F379 HydrophobicContact CD2-CD2 3.94Å; L305-F379 HydrophobicContact CD2-CG 3.9Å; H306-F379 CarbonylContact C-O 3.56Å; H306-F379 VanDerWaalsContact CA-O 3.29Å; H306-F379 WeakPolarHBondContact CA-O 3.41Å; H306-F379 VanDerWaalsContact CB-O 3.27Å; H306-F379 WeakPolarHBondContact CB-O 3.12Å; H306-F379 PolarHBondContact N-O 2.88Å; L311-F379 CarbonylContact O-C 3.6Å; L311-F379 WeakPolarHBondContact O-CA 3.44Å; L312-F379 HydrophobicContact CD1-CD1 3.98Å; L312-F379 HydrophobicContact CD1-CD2 3.8Å; L312-F379 HydrophobicContact CD1-CE1 3.75Å; L312-F379 HydrophobicContact CD1-CE2 3.54Å; L312-F379 HydrophobicContact CD1-CG 4Å; L312-F379 HydrophobicContact CD1-CZ 3.52Å; L312-F379 HydrophobicContact CD2-CE1 4.25Å; L312-F379 HydrophobicContact CD2-CZ 4.29Å; I340-F379 HydrophobicContact CD1-CD1 4.45Å; I340-F379 HydrophobicContact CD1-CE1 3.97Å; F377-F379 HydrophobicContact CB-CE2 4.32Å; F379-L381 HydrophobicContact CB-CD2 3.95Å; F379-L381 HydrophobicContact CD1-CD2 4.45Å; F379-T403 HydrophobicContact CD1-CG2 4.34Å; F379-L407 HydrophobicContact CD2-CD2 4.45Å; F379-L407 HydrophobicContact CE2-CD2 3.79Å; F379-L407 HydrophobicContact CZ-CD2 3.89Å; F379-L407 HydrophobicContact CZ-CG 4.36Å; F379-I410 HydrophobicContact CE2-CD1 3.91Å; F379-I410 HydrophobicContact CZ-CD1 3.66Å
380E98.9Very high98.2Very high24 Ų2428.7 Ų28.711%0.11215%0.154CC..EExtended strand (participates in β ladder)trans-101.2108.2160.4-67.4-71.4176.200106.8H306 S307 Y308 Q310 L311 M313 Y348H306-E380 VanDerWaalsContact CB-CD 3.42Å; H306-E380 HydrophobicContact CB-CG 4.43Å; H306-E380 WeakPolarHBondContact CB-OE1 3.23Å; H306-E380 WeakPolarHBondContact CB-OE2 3.21Å; H306-E380 IonicContact CG-OE1 3.86Å; S307-E380 VanDerWaalsContact CA-OE2 3.24Å; S307-E380 WeakPolarHBondContact CA-OE2 3.35Å; S307-E380 PolarHBondContact N-OE2 2.94Å; Y308-E380 PolarHBondContact N-OE2 3.38Å; Q310-E380 CarbonylContact C-O 3.57Å; Q310-E380 WeakPolarHBondContact CA-O 3.19Å; Q310-E380 PolarHBondContact N-O 2.87Å; L311-E380 HydrophobicContact CB-CB 3.86Å; L311-E380 HydrophobicContact CB-CG 4.1Å; L311-E380 HydrophobicContact CD1-CB 4.44Å; L311-E380 HydrophobicContact CD1-CG 4.15Å; L311-E380 HydrophobicContact CG-CB 4.09Å; L311-E380 HydrophobicContact CG-CG 4.31Å; L311-E380 PolarHBondContact N-O 3.2Å; L311-E380 PolarHBondContact O-N 3.4Å; M313-E380 HydrophobicContact CE-CG 3.62Å; Y348-E380 WeakPolarHBondContact CE1-O 3.24Å
381L98.9Very high98.2Very high0 Ų025.4 Ų25.40%014%0.137CC..EExtended strand (participates in β ladder)trans-73.3-168.4-173.9-59-174.6000112.1I184 T185 H306 S309 Q310 Y348 F379 T399 T403I184-L381 HydrophobicContact CG2-CB 4.31Å; I184-L381 HydrophobicContact CG2-CD1 4.48Å; T185-L381 HydrophobicContact CG2-CD1 4.26Å; H306-L381 WeakPolarHBondContact O-CB 3.4Å; H306-L381 VanDerWaalsContact O-CG 3.28Å; H306-L381 WeakPolarHBondContact O-CG 3.28Å; H306-L381 PolarHBondContact O-N 3.45Å; S309-L381 PolarHBondContact N-O 2.81Å; S309-L381 VanDerWaalsContact N-O 3.11Å; Q310-L381 PolarHBondContact N-O 2.93Å; Q310-L381 VanDerWaalsContact N-O 3.1Å; Y348-L381 WeakPolarHBondContact OH-CA 3.28Å; F379-L381 HydrophobicContact CB-CD2 3.95Å; F379-L381 HydrophobicContact CD1-CD2 4.45Å; L381-T399 HydrophobicContact CB-CG2 4.05Å; L381-T399 HydrophobicContact CD1-CG2 4.11Å; L381-T403 HydrophobicContact CD2-CG2 3.74Å; L381-T403 WeakPolarHBondContact CD2-OG1 3.24Å
382R98.9Very high98.2Very high29 Ų2922.1 Ų22.111%0.10913%0.128CC..SBendtrans-58.9152.8174.7-68.5-166.7-170.9-173.52.1111.6Q310 T346 L391 T399 E402Q310-R382 HydrophobicContact CG-CG 4.49Å; T346-R382 HydrophobicContact CG2-CG 4.32Å; T346-R382 PolarHBondContact OG1-NH2 3.4Å; R382-L391 HydrophobicContact CB-CD1 4.44Å; R382-L391 HydrophobicContact CB-CD2 3.84Å; R382-T399 HydrophobicContact CB-CG2 4.35Å; R382-T399 WeakPolarHBondContact CD-OG1 3.5Å; R382-T399 HydrophobicContact CG-CG2 4.29Å; R382-E402 IonicContact CZ-OE1 3.52Å; R382-E402 IonicContact CZ-OE2 3.63Å; R382-E402 IonicContact NE-OE1 3.86Å; R382-E402 PolarHBondContact NE-OE1 3.24Å; R382-E402 IonicContact NE-OE2 2.73Å; R382-E402 VanDerWaalsContact NH2-CD 3.28Å; R382-E402 IonicContact NH2-OE1 3.71Å; R382-E402 PolarHBondContact NH2-OE1 2.88Å; R382-E402 IonicContact NH2-OE2 2.73Å; R382-E402 PolarHBondContact NH2-OE2 3.25Å
383D98.4Very high98.2Very high12 Ų1219.7 Ų19.76%0.06410%0.101CC..  cis-106.3-148.6-5.167.40.4000111.6S309 G385 N386 Y387 G388 L391S309-D383 CarbonylContact C-O 3.54Å; S309-D383 VanDerWaalsContact CA-O 3.28Å; S309-D383 WeakPolarHBondContact CA-O 3.33Å; S309-D383 PolarHBondContact N-O 3.02Å; D383-G385 WeakPolarHBondContact OD1-CA 3.3Å; D383-G385 PolarHBondContact OD1-N 2.85Å; D383-N386 WeakPolarHBondContact OD2-CB 3.32Å; D383-N386 PolarHBondContact OD2-N 3.49Å; D383-N386 VanDerWaalsContact OD2-N 3.13Å; D383-Y387 WeakPolarHBondContact OD2-CD2 3.17Å; D383-Y387 PolarHBondContact OD2-N 3.36Å; D383-G388 WeakPolarHBondContact OD1-CA 3.37Å; D383-G388 PolarHBondContact OD1-N 2.59Å; D383-L391 HydrophobicContact CB-CD1 3.88Å
384T97.4Very high98.1Very high62 Ų6223.9 Ų23.938%0.3813%0.131SC..SBendtrans-109.922.8174.557.70000112.4R27 Q310R27-T384 PolarHBondContact NH1-O 3.23Å; R27-T384 VanDerWaalsContact NH1-O 3.08Å; R27-T384 PolarHBondContact NH2-O 2.95Å; Q310-T384 HydrophobicContact CB-CG2 4.28Å; Q310-T384 HydrophobicContact CG-CG2 4.08Å
385G95.4Very high98.1Very high0 Ų025.4 Ų25.40%014%0.138CC..SBendtrans114.1-0.2169.700000116.8L89 D383 Y387L89-G385 WeakPolarHBondContact CD1-O 3.12Å; D383-G385 WeakPolarHBondContact OD1-CA 3.3Å; D383-G385 PolarHBondContact OD1-N 2.85Å; G385-Y387 VanDerWaalsContact C-N 3.3Å; G385-Y387 PolarHBondContact O-N 3.21Å
386N94.3Very high98.2Very high100 Ų10025.3 Ų25.354%0.53514%0.138SC..SBendtrans-65.8-39.3176.9-65.4-34.5000110.9D383D383-N386 WeakPolarHBondContact OD2-CB 3.32Å; D383-N386 PolarHBondContact OD2-N 3.49Å; D383-N386 VanDerWaalsContact OD2-N 3.13Å
387Y97.4Very high98.1Very high87 Ų8728.2 Ų28.234%0.34115%0.153SC..SBendtrans-115.5-26.9173.7-58.8-79.8000112L96 D383 G385 F389 L390 L391 P392L96-Y387 HydrophobicContact CD1-CD1 4.25Å; L96-Y387 HydrophobicContact CD2-CD1 4.06Å; L96-Y387 HydrophobicContact CD2-CE1 4.15Å; D383-Y387 WeakPolarHBondContact OD2-CD2 3.17Å; D383-Y387 PolarHBondContact OD2-N 3.36Å; G385-Y387 VanDerWaalsContact C-N 3.3Å; G385-Y387 PolarHBondContact O-N 3.21Å; Y387-F389 PolarHBondContact O-N 2.85Å; Y387-F389 VanDerWaalsContact O-N 3.14Å; Y387-L390 PolarHBondContact O-N 3.01Å; Y387-L391 HydrophobicContact CD2-CD1 4.18Å; Y387-P392 HydrophobicContact CD1-CG 3.83Å; Y387-P392 HydrophobicContact CD2-CG 4.22Å; Y387-P392 HydrophobicContact CE1-CG 3.63Å; Y387-P392 HydrophobicContact CE2-CG 4.04Å; Y387-P392 HydrophobicContact CG-CG 4.12Å
388G97.9Very high98.1Very high1 Ų129.5 Ų29.51%0.0116%0.162CC..G310 helixtrans55.8-117.2-176.200000111.1Y308 D383 L390Y308-G388 VanDerWaalsContact CD1-CA 3.4Å; D383-G388 WeakPolarHBondContact OD1-CA 3.37Å; D383-G388 PolarHBondContact OD1-N 2.59Å; G388-L390 VanDerWaalsContact C-N 3.3Å; G388-L390 PolarHBondContact O-N 3.32Å
389F98.6Very high98.1Very high5 Ų529.3 Ų29.32%0.02216%0.16CC..G310 helixtrans-77.1-10.7-178.8-52.4-56.1000114.8W53 R181 E182 R234 S307 Y308 Y387W53-F389 HydrophobicContact CB-CE2 3.72Å; W53-F389 HydrophobicContact CB-CZ 4.17Å; W53-F389 AromaticContact CD1-CE2 3.54Å; W53-F389 AromaticContact CD2-CD2 3.59Å; W53-F389 HydrophobicContact CD2-CD2 3.59Å; W53-F389 AromaticContact CD2-CE2 3.52Å; W53-F389 HydrophobicContact CD2-CE2 3.52Å; W53-F389 AromaticContact CE2-CD2 3.58Å; W53-F389 AromaticContact CE2-CE2 3.84Å; W53-F389 HydrophobicContact CE3-CD2 4Å; W53-F389 HydrophobicContact CE3-CE2 4.15Å; W53-F389 AromaticContact CG-CD2 3.92Å; W53-F389 HydrophobicContact CG-CD2 3.92Å; W53-F389 AromaticContact CG-CE2 3.32Å; W53-F389 HydrophobicContact CG-CE2 3.32Å; W53-F389 HydrophobicContact CG-CZ 4.24Å; W53-F389 HydrophobicContact CH2-CD2 4.36Å; W53-F389 AromaticContact CZ2-CD2 4Å; W53-F389 HydrophobicContact CZ2-CD2 4Å; W53-F389 HydrophobicContact CZ3-CD2 4.37Å; W53-F389 AromaticContact NE1-CD2 3.86Å; W53-F389 AromaticContact NE1-CE2 3.8Å; R181-F389 HydrophobicContact CG-CD1 4.17Å; R181-F389 HydrophobicContact CG-CD2 4.2Å; R181-F389 HydrophobicContact CG-CE1 4.44Å; R181-F389 HydrophobicContact CG-CE2 4.48Å; R181-F389 HydrophobicContact CG-CG 4.06Å; E182-F389 HydrophobicContact CG-CD1 4.03Å; E182-F389 HydrophobicContact CG-CE1 4Å; R234-F389 PolarHBondContact NH2-O 3.38Å; S307-F389 VanDerWaalsContact O-CE1 3.26Å; S307-F389 WeakPolarHBondContact O-CE1 3.01Å; Y308-F389 AromaticContact CD1-CD1 3.75Å; Y308-F389 HydrophobicContact CD1-CD1 3.75Å; Y308-F389 AromaticContact CD1-CE1 3.52Å; Y308-F389 HydrophobicContact CD1-CE1 3.52Å; Y308-F389 HydrophobicContact CD1-CE2 4.49Å; Y308-F389 HydrophobicContact CD1-CG 4.33Å; Y308-F389 AromaticContact CD1-CZ 3.91Å; Y308-F389 HydrophobicContact CD1-CZ 3.91Å; Y308-F389 HydrophobicContact CE1-CD1 4.21Å; Y308-F389 HydrophobicContact CE1-CD2 4.39Å; Y308-F389 AromaticContact CE1-CE1 3.8Å; Y308-F389 HydrophobicContact CE1-CE1 3.8Å; Y308-F389 HydrophobicContact CE1-CE2 4.01Å; Y308-F389 HydrophobicContact CE1-CG 4.47Å; Y308-F389 AromaticContact CE1-CZ 3.68Å; Y308-F389 HydrophobicContact CE1-CZ 3.68Å; Y387-F389 PolarHBondContact O-N 2.85Å; Y387-F389 VanDerWaalsContact O-N 3.14Å
390L98.4Very high98.1Very high7 Ų729.3 Ų29.34%0.03716%0.16CC..G310 helixtrans-103.840.6179.2-63.5177.4000111.4L93 L96 L97 R234 M235 Y387 G388L93-L390 HydrophobicContact CD1-CD1 3.34Å; L93-L390 HydrophobicContact CD1-CG 4.41Å; L93-L390 HydrophobicContact CG-CD1 3.86Å; L96-L390 HydrophobicContact CB-CB 4.15Å; L96-L390 HydrophobicContact CB-CD1 3.6Å; L96-L390 HydrophobicContact CD1-CB 4.35Å; L96-L390 HydrophobicContact CD1-CD1 4.28Å; L97-L390 HydrophobicContact CD1-CD2 4.5Å; R234-L390 HydrophobicContact CG-CD2 3.92Å; M235-L390 HydrophobicContact CE-CD1 4.47Å; M235-L390 HydrophobicContact CE-CD2 3.92Å; M235-L390 HydrophobicContact CE-CG 4.12Å; Y387-L390 PolarHBondContact O-N 3.01Å; G388-L390 VanDerWaalsContact C-N 3.3Å; G388-L390 PolarHBondContact O-N 3.32Å
391L98.6Very high98.1Very high6 Ų630.9 Ų30.93%0.03117%0.167CC..  trans-57.7131.6-179.6-166.571.7000110.2Y122 I184 R382 D383 Y387 Q395Y122-L391 VanDerWaalsContact CE2-O 3.3Å; Y122-L391 WeakPolarHBondContact CE2-O 3.49Å; Y122-L391 PolarHBondContact OH-O 2.81Å; I184-L391 HydrophobicContact CB-CD2 4.28Å; I184-L391 HydrophobicContact CD1-CD2 3.86Å; I184-L391 HydrophobicContact CG1-CD2 3.77Å; R382-L391 HydrophobicContact CB-CD1 4.44Å; R382-L391 HydrophobicContact CB-CD2 3.84Å; D383-L391 HydrophobicContact CB-CD1 3.88Å; Y387-L391 HydrophobicContact CD2-CD1 4.18Å; L391-Q395 HydrophobicContact CD1-CB 4.35Å; L391-Q395 HydrophobicContact CD1-CG 4.37Å; L391-Q395 HydrophobicContact CD2-CB 3.81Å; L391-Q395 HydrophobicContact CG-CB 3.84Å; L391-Q395 HydrophobicContact CG-CG 4.31Å
392P98.5Very high98.1Very high31 Ų3130.9 Ų30.920%0.20117%0.167CC..  trans-59.9144.1-177.5-27.335.1000112.7Y387 S394 Q395Y387-P392 HydrophobicContact CD1-CG 3.83Å; Y387-P392 HydrophobicContact CD2-CG 4.22Å; Y387-P392 HydrophobicContact CE1-CG 3.63Å; Y387-P392 HydrophobicContact CE2-CG 4.04Å; Y387-P392 HydrophobicContact CG-CG 4.12Å; P392-S394 PolarHBondContact O-N 3.44Å; P392-S394 VanDerWaalsContact O-N 3.07Å; P392-Q395 WeakPolarHBondContact O-CB 3.45Å; P392-Q395 PolarHBondContact O-N 3.37Å
393A98.1Very high98.1Very high11 Ų1129.5 Ų29.59%0.09116%0.162CC..G310 helixtrans-56.4-30.5-179.100000113.4Q395 I396A393-Q395 PolarHBondContact O-N 2.88Å; A393-Q395 VanDerWaalsContact O-N 3.14Å; A393-I396 HydrophobicContact CB-CD1 4.08Å; A393-I396 WeakPolarHBondContact O-CB 3.28Å; A393-I396 VanDerWaalsContact O-CG1 3.31Å; A393-I396 WeakPolarHBondContact O-CG1 3.38Å; A393-I396 PolarHBondContact O-N 3.43Å
394S98.1Very high98.2Very high93 Ų9329.5 Ų29.565%0.6516%0.161SC*.G310 helixtrans-61.6-17.6174.858.70000114.3P392 P398P392-S394 PolarHBondContact O-N 3.44Å; P392-S394 VanDerWaalsContact O-N 3.07Å; S394-P398 WeakPolarHBondContact O-CD 2.93Å
395Q98.8Very high98.2Very high58 Ų5829 Ų2927%0.27116%0.156SC..G310 helixtrans-92.2-5.2176.7-64-74.5-9.400113.1L391 P392 A393 T399L391-Q395 HydrophobicContact CD1-CB 4.35Å; L391-Q395 HydrophobicContact CD1-CG 4.37Å; L391-Q395 HydrophobicContact CD2-CB 3.81Å; L391-Q395 HydrophobicContact CG-CB 3.84Å; L391-Q395 HydrophobicContact CG-CG 4.31Å; P392-Q395 WeakPolarHBondContact O-CB 3.45Å; P392-Q395 PolarHBondContact O-N 3.37Å; A393-Q395 PolarHBondContact O-N 2.88Å; A393-Q395 VanDerWaalsContact O-N 3.14Å; Q395-T399 VanDerWaalsContact O-CB 3.25Å; Q395-T399 WeakPolarHBondContact O-CB 3.19Å; Q395-T399 PolarHBondContact O-N 2.73Å; Q395-T399 PolarHBondContact O-OG1 3.48Å
396I98.9Very high98.4Very high0 Ų029 Ų290%016%0.156CC..Hα-helixtrans-61.1-56.6-178.9-67.2168000111Y119 Y122 I184 A187 A393 T399 A400Y119-I396 VanDerWaalsContact O-CG2 3.27Å; Y119-I396 WeakPolarHBondContact O-CG2 3.15Å; Y122-I396 HydrophobicContact CD1-CD1 3.74Å; Y122-I396 HydrophobicContact CD1-CG1 4.48Å; Y122-I396 HydrophobicContact CD2-CD1 4.25Å; Y122-I396 HydrophobicContact CE1-CD1 3.6Å; Y122-I396 HydrophobicContact CE1-CG1 3.86Å; Y122-I396 HydrophobicContact CE2-CD1 4.15Å; Y122-I396 HydrophobicContact CG-CD1 4.06Å; I184-I396 HydrophobicContact CD1-CB 4.24Å; I184-I396 HydrophobicContact CD1-CG1 3.88Å; A187-I396 HydrophobicContact CB-CD1 4.15Å; A187-I396 HydrophobicContact CB-CG1 4.26Å; A187-I396 HydrophobicContact CB-CG2 3.72Å; A393-I396 HydrophobicContact CB-CD1 4.08Å; A393-I396 WeakPolarHBondContact O-CB 3.28Å; A393-I396 VanDerWaalsContact O-CG1 3.31Å; A393-I396 WeakPolarHBondContact O-CG1 3.38Å; A393-I396 PolarHBondContact O-N 3.43Å; I396-T399 PolarHBondContact O-N 3.48Å; I396-A400 WeakPolarHBondContact O-CB 3.42Å; I396-A400 PolarHBondContact O-N 3.48Å
397I98.8Very high98.6Very high61 Ų6124.3 Ų24.331%0.31313%0.13SC..Hα-helixtrans-62.6-49.1-178.5-65.2170.5000111.1T399 A400 E401I397-T399 VanDerWaalsContact C-N 3.28Å; I397-T399 PolarHBondContact O-N 3.06Å; I397-A400 PolarHBondContact O-N 2.81Å; I397-A400 VanDerWaalsContact O-N 3.14Å; I397-E401 HydrophobicContact CG2-CG 4.03Å; I397-E401 WeakPolarHBondContact O-CB 3.38Å; I397-E401 WeakPolarHBondContact O-CG 3.23Å; I397-E401 PolarHBondContact O-N 2.86Å
398P98.9Very high98.7Very high28 Ų2821.6 Ų21.618%0.18212%0.121CC..Hα-helixtrans-55.2-41.1175.5-28.835.2000114Y344 S394 E402Y344-P398 HydrophobicContact CD2-CB 4.11Å; Y344-P398 HydrophobicContact CE2-CB 3.78Å; Y344-P398 VanDerWaalsContact CE2-O 3.31Å; Y344-P398 WeakPolarHBondContact CE2-O 3.33Å; S394-P398 WeakPolarHBondContact O-CD 2.93Å; P398-E402 WeakPolarHBondContact O-CG 3.4Å; P398-E402 PolarHBondContact O-N 3.35Å
399T98.9Very high98.7Very high0 Ų022.9 Ų22.90%013%0.128CC..Hα-helixtrans-67.6-43.3177.8-55.70000111.2I184 L381 R382 Q395 I396 I397 E402 T403I184-T399 HydrophobicContact CD1-CG2 4.13Å; I184-T399 HydrophobicContact CG1-CG2 3.75Å; L381-T399 HydrophobicContact CB-CG2 4.05Å; L381-T399 HydrophobicContact CD1-CG2 4.11Å; R382-T399 HydrophobicContact CB-CG2 4.35Å; R382-T399 WeakPolarHBondContact CD-OG1 3.5Å; R382-T399 HydrophobicContact CG-CG2 4.29Å; Q395-T399 VanDerWaalsContact O-CB 3.25Å; Q395-T399 WeakPolarHBondContact O-CB 3.19Å; Q395-T399 PolarHBondContact O-N 2.73Å; Q395-T399 PolarHBondContact O-OG1 3.48Å; I396-T399 PolarHBondContact O-N 3.48Å; I397-T399 VanDerWaalsContact C-N 3.28Å; I397-T399 PolarHBondContact O-N 3.06Å; T399-E402 WeakPolarHBondContact O-CG 3.21Å; T399-T403 WeakPolarHBondContact O-CB 3.49Å; T399-T403 PolarHBondContact O-N 2.87Å; T399-T403 VanDerWaalsContact O-N 3.08Å; T399-T403 PolarHBondContact O-OG1 3.39Å
400A98.9Very high98.7Very high0 Ų022.6 Ų22.60%013%0.127CC..Hα-helixtrans-65.5-43.6-179.700000112W191 I396 I397 T403 W404W191-A400 HydrophobicContact CB-CB 3.97Å; W191-A400 HydrophobicContact CD2-CB 3.71Å; W191-A400 HydrophobicContact CE3-CB 3.61Å; W191-A400 HydrophobicContact CG-CB 3.87Å; W191-A400 HydrophobicContact CZ3-CB 4.35Å; I396-A400 WeakPolarHBondContact O-CB 3.42Å; I396-A400 PolarHBondContact O-N 3.48Å; I397-A400 PolarHBondContact O-N 2.81Å; I397-A400 VanDerWaalsContact O-N 3.14Å; A400-T403 PolarHBondContact O-N 2.91Å; A400-W404 VanDerWaalsContact O-CB 3.29Å; A400-W404 WeakPolarHBondContact O-CB 3.43Å; A400-W404 PolarHBondContact O-N 2.83Å
401E98.9Very high98.7Very high58 Ų5822.3 Ų22.327%0.27113%0.125SC..Hα-helixtrans-64.6-46.5-179-73.1175.3150.900112.7W191 L343 Y344 I397 W404 L405W191-E401 HydrophobicContact CH2-CB 4.33Å; W191-E401 HydrophobicContact CH2-CG 3.64Å; W191-E401 HydrophobicContact CZ2-CG 3.48Å; W191-E401 VanDerWaalsContact CZ2-CG 3.48Å; L343-E401 HydrophobicContact CD2-CB 3.63Å; Y344-E401 HydrophobicContact CE2-CB 4.35Å; Y344-E401 PolarHBondContact OH-OE2 3.33Å; I397-E401 HydrophobicContact CG2-CG 4.03Å; I397-E401 WeakPolarHBondContact O-CB 3.38Å; I397-E401 WeakPolarHBondContact O-CG 3.23Å; I397-E401 PolarHBondContact O-N 2.86Å; E401-W404 WeakPolarHBondContact O-CB 3.33Å; E401-W404 PolarHBondContact O-N 2.85Å; E401-L405 PolarHBondContact O-N 2.8Å
402E98.9Very high98.7Very high0 Ų024.9 Ų24.90%014%0.137CC..Hα-helixtrans-69.6-38.8178.671.1-176.6-171.100111.7I340 L343 Y344 T346 R382 P398 T399 W404 L405 G406I340-E402 WeakPolarHBondContact CG1-O 3.27Å; I340-E402 HydrophobicContact CG2-CB 3.98Å; I340-E402 HydrophobicContact CG2-CG 3.87Å; L343-E402 HydrophobicContact CB-CB 4.35Å; L343-E402 HydrophobicContact CD2-CB 4.25Å; Y344-E402 HydrophobicContact CD2-CB 4.09Å; T346-E402 WeakPolarHBondContact CB-OE2 3.27Å; T346-E402 WeakPolarHBondContact CG2-OE1 3.34Å; T346-E402 VanDerWaalsContact OG1-CD 3.32Å; T346-E402 PolarHBondContact OG1-OE1 3.1Å; T346-E402 PolarHBondContact OG1-OE2 2.92Å; R382-E402 IonicContact CZ-OE1 3.52Å; R382-E402 IonicContact CZ-OE2 3.63Å; R382-E402 IonicContact NE-OE1 3.86Å; R382-E402 PolarHBondContact NE-OE1 3.24Å; R382-E402 IonicContact NE-OE2 2.73Å; R382-E402 VanDerWaalsContact NH2-CD 3.28Å; R382-E402 IonicContact NH2-OE1 3.71Å; R382-E402 PolarHBondContact NH2-OE1 2.88Å; R382-E402 IonicContact NH2-OE2 2.73Å; R382-E402 PolarHBondContact NH2-OE2 3.25Å; P398-E402 WeakPolarHBondContact O-CG 3.4Å; P398-E402 PolarHBondContact O-N 3.35Å; T399-E402 WeakPolarHBondContact O-CG 3.21Å; E402-W404 VanDerWaalsContact C-N 3.27Å; E402-W404 PolarHBondContact O-N 3.11Å; E402-L405 WeakPolarHBondContact O-CB 3.47Å; E402-L405 PolarHBondContact O-N 2.61Å; E402-G406 PolarHBondContact O-N 3.41Å
403T98.9Very high98.7Very high0 Ų025.8 Ų25.80%014%0.139CC..Hα-helixtrans-63.4-38.5177.7-59.60000110.4L305 F379 L381 T399 A400 L405 G406 L407L305-T403 HydrophobicContact CD2-CG2 4.39Å; F379-T403 HydrophobicContact CD1-CG2 4.34Å; L381-T403 HydrophobicContact CD2-CG2 3.74Å; L381-T403 WeakPolarHBondContact CD2-OG1 3.24Å; T399-T403 WeakPolarHBondContact O-CB 3.49Å; T399-T403 PolarHBondContact O-N 2.87Å; T399-T403 VanDerWaalsContact O-N 3.08Å; T399-T403 PolarHBondContact O-OG1 3.39Å; A400-T403 PolarHBondContact O-N 2.91Å; T403-L405 VanDerWaalsContact C-N 3.28Å; T403-L405 PolarHBondContact O-N 2.94Å; T403-G406 PolarHBondContact O-N 3.24Å; T403-G406 VanDerWaalsContact O-N 3.09Å; T403-L407 HydrophobicContact CG2-CD1 3.99Å; T403-L407 HydrophobicContact CG2-CG 4.22Å; T403-L407 WeakPolarHBondContact O-CG 3.35Å; T403-L407 PolarHBondContact O-N 3.28Å
404W98.9Very high98.7Very high11 Ų1125.2 Ų25.24%0.04213%0.134CC..Hα-helixtrans-57.9-38.7175.7174.2-118.8000112.7W191 I192 K195 I196 V206 A400 E401 E402 G406 L407 K408 M411W191-W404 HydrophobicContact CZ3-CB 3.89Å; W191-W404 HydrophobicContact CZ3-CG 4.17Å; I192-W404 HydrophobicContact CG1-CE3 4.42Å; I192-W404 HydrophobicContact CG2-CE3 3.87Å; I192-W404 HydrophobicContact CG2-CZ3 3.94Å; K195-W404 HydrophobicContact CG-CD2 4.31Å; K195-W404 HydrophobicContact CG-CG 4.38Å; K195-W404 HydrophobicContact CG-CZ2 4.5Å; I196-W404 HydrophobicContact CD1-CH2 4.29Å; I196-W404 HydrophobicContact CD1-CZ3 4.05Å; I196-W404 HydrophobicContact CG1-CH2 3.57Å; I196-W404 HydrophobicContact CG1-CZ2 4.48Å; I196-W404 HydrophobicContact CG1-CZ3 3.74Å; V206-W404 HydrophobicContact CG2-CH2 4.22Å; V206-W404 HydrophobicContact CG2-CZ2 3.6Å; A400-W404 VanDerWaalsContact O-CB 3.29Å; A400-W404 WeakPolarHBondContact O-CB 3.43Å; A400-W404 PolarHBondContact O-N 2.83Å; E401-W404 WeakPolarHBondContact O-CB 3.33Å; E401-W404 PolarHBondContact O-N 2.85Å; E402-W404 VanDerWaalsContact C-N 3.27Å; E402-W404 PolarHBondContact O-N 3.11Å; W404-G406 VanDerWaalsContact C-N 3.35Å; W404-G406 PolarHBondContact O-N 3.3Å; W404-L407 HydrophobicContact CE3-CB 4.42Å; W404-L407 PolarHBondContact O-N 3.18Å; W404-K408 HydrophobicContact CZ2-CD 4.42Å; W404-K408 WeakPolarHBondContact O-CB 3.42Å; W404-K408 PolarHBondContact O-N 3.29Å; W404-M411 HydrophobicContact CE3-CE 4.19Å; W404-M411 HydrophobicContact CH2-CE 3.68Å; W404-M411 HydrophobicContact CZ3-CE 3.34Å
405L98.8Very high98.7Very high53 Ų5322.9 Ų22.928%0.27711%0.111SC..Hα-helixtrans-64-40.4175.1-60.1-179000112.1S339 L343 E401 E402 T403 T409S339-L405 WeakPolarHBondContact O-CD1 3.39Å; L343-L405 HydrophobicContact CB-CD1 3.91Å; L343-L405 HydrophobicContact CD2-CD1 4.31Å; E401-L405 PolarHBondContact O-N 2.8Å; E402-L405 WeakPolarHBondContact O-CB 3.47Å; E402-L405 PolarHBondContact O-N 2.61Å; T403-L405 VanDerWaalsContact C-N 3.28Å; T403-L405 PolarHBondContact O-N 2.94Å; L405-T409 PolarHBondContact O-N 3.28Å; L405-T409 VanDerWaalsContact O-N 3.09Å; L405-T409 PolarHBondContact O-OG1 3.2Å
406G98.8Very high98.7Very high0 Ų024.2 Ų24.20%012%0.12CC..Hα-helixtrans-63.8-47.8174.400000112.4E402 T403 W404 T409 I410E402-G406 PolarHBondContact O-N 3.41Å; T403-G406 PolarHBondContact O-N 3.24Å; T403-G406 VanDerWaalsContact O-N 3.09Å; W404-G406 VanDerWaalsContact C-N 3.35Å; W404-G406 PolarHBondContact O-N 3.3Å; G406-T409 WeakPolarHBondContact O-CB 3.32Å; G406-T409 PolarHBondContact O-N 3.02Å; G406-I410 PolarHBondContact O-N 2.8Å
407L98.9Very high98.6Very high0 Ų026.2 Ų26.20%013%0.131CC..Hα-helixtrans-60.2-47.9176.6-70.1170.6000111.3L174 I192 L303 L305 F379 T403 W404 T409 I410 M411L174-L407 HydrophobicContact CD1-CD2 4.08Å; L174-L407 HydrophobicContact CD2-CD1 4.15Å; I192-L407 HydrophobicContact CD1-CD1 3.54Å; L303-L407 HydrophobicContact CB-CD2 4.37Å; L303-L407 HydrophobicContact CD1-CD2 3.75Å; L305-L407 HydrophobicContact CD2-CD2 4.43Å; F379-L407 HydrophobicContact CD2-CD2 4.45Å; F379-L407 HydrophobicContact CE2-CD2 3.79Å; F379-L407 HydrophobicContact CZ-CD2 3.89Å; F379-L407 HydrophobicContact CZ-CG 4.36Å; T403-L407 HydrophobicContact CG2-CD1 3.99Å; T403-L407 HydrophobicContact CG2-CG 4.22Å; T403-L407 WeakPolarHBondContact O-CG 3.35Å; T403-L407 PolarHBondContact O-N 3.28Å; W404-L407 HydrophobicContact CE3-CB 4.42Å; W404-L407 PolarHBondContact O-N 3.18Å; L407-T409 VanDerWaalsContact C-N 3.29Å; L407-T409 PolarHBondContact O-N 2.87Å; L407-I410 PolarHBondContact O-N 3.25Å; L407-I410 VanDerWaalsContact O-N 3.08Å; L407-M411 HydrophobicContact CB-CE 3.92Å; L407-M411 VanDerWaalsContact O-CG 3.29Å; L407-M411 WeakPolarHBondContact O-CG 3.29Å; L407-M411 PolarHBondContact O-N 3.1Å
408K98.5Very high97.8Very high31 Ų3127.4 Ų27.414%0.13514%0.143CC..Hα-helixtrans-56.4-43.4178.3-169.8174.4-175.4174.40111.5D203 S205 W404 I410 M411 E412D203-K408 IonicContact OD1-NZ 3.85Å; D203-K408 PolarHBondContact OD1-NZ 2.79Å; D203-K408 IonicContact OD2-NZ 3.65Å; D203-K408 PolarHBondContact OD2-NZ 3.47Å; S205-K408 WeakPolarHBondContact OG-CE 3.44Å; W404-K408 HydrophobicContact CZ2-CD 4.42Å; W404-K408 WeakPolarHBondContact O-CB 3.42Å; W404-K408 PolarHBondContact O-N 3.29Å; K408-I410 VanDerWaalsContact C-N 3.34Å; K408-I410 PolarHBondContact O-N 2.64Å; K408-M411 PolarHBondContact O-N 3.1Å; K408-E412 HydrophobicContact CG-CG 4.44Å; K408-E412 WeakPolarHBondContact O-CB 3.43Å; K408-E412 VanDerWaalsContact O-CG 3.27Å; K408-E412 WeakPolarHBondContact O-CG 3.37Å; K408-E412 PolarHBondContact O-N 3.44Å
409T98.8Very high96.8Very high27 Ų2734.5 Ų34.517%0.16617%0.167CC..Hα-helixtrans-57.4-45.5175.2-55.50000111.9L332 A335 A336 S339 L405 G406 L407 H413L332-T409 HydrophobicContact CD1-CG2 4.41Å; A335-T409 HydrophobicContact CB-CG2 4.08Å; A336-T409 HydrophobicContact CB-CG2 4.31Å; S339-T409 VanDerWaalsContact CB-OG1 3.31Å; S339-T409 WeakPolarHBondContact CB-OG1 3.31Å; S339-T409 PolarHBondContact OG-OG1 3.42Å; L405-T409 PolarHBondContact O-N 3.28Å; L405-T409 VanDerWaalsContact O-N 3.09Å; L405-T409 PolarHBondContact O-OG1 3.2Å; G406-T409 WeakPolarHBondContact O-CB 3.32Å; G406-T409 PolarHBondContact O-N 3.02Å; L407-T409 VanDerWaalsContact C-N 3.29Å; L407-T409 PolarHBondContact O-N 2.87Å; T409-H413 PolarHBondContact O-N 3.42Å
410I98.8Very high96.7Very high0 Ų036.3 Ų36.30%018%0.175CC..Hα-helixtrans-66.8-47177.9-62.6173.5000110.6L303 L332 A336 F377 F379 G406 L407 K408 E412 H413 V414L303-I410 HydrophobicContact CD2-CD1 4.39Å; L303-I410 HydrophobicContact CD2-CG2 3.93Å; L332-I410 HydrophobicContact CD2-CG1 4.5Å; L332-I410 HydrophobicContact CD2-CG2 4.23Å; L332-I410 HydrophobicContact CG-CG1 4.27Å; A336-I410 HydrophobicContact CB-CD1 4.18Å; A336-I410 HydrophobicContact CB-CG1 3.91Å; F377-I410 HydrophobicContact CB-CD1 4.36Å; F377-I410 HydrophobicContact CD1-CD1 4.46Å; F377-I410 HydrophobicContact CD2-CD1 4.07Å; F377-I410 HydrophobicContact CD2-CG2 4.2Å; F377-I410 HydrophobicContact CE2-CD1 4.49Å; F377-I410 HydrophobicContact CE2-CG2 4.3Å; F377-I410 HydrophobicContact CG-CD1 4.05Å; F379-I410 HydrophobicContact CE2-CD1 3.91Å; F379-I410 HydrophobicContact CZ-CD1 3.66Å; G406-I410 PolarHBondContact O-N 2.8Å; L407-I410 PolarHBondContact O-N 3.25Å; L407-I410 VanDerWaalsContact O-N 3.08Å; K408-I410 VanDerWaalsContact C-N 3.34Å; K408-I410 PolarHBondContact O-N 2.64Å; I410-E412 VanDerWaalsContact C-N 3.35Å; I410-E412 PolarHBondContact O-N 3.48Å; I410-H413 WeakPolarHBondContact O-CB 3.48Å; I410-H413 PolarHBondContact O-N 2.99Å; I410-V414 HydrophobicContact CG2-CG2 4.3Å; I410-V414 WeakPolarHBondContact O-CG2 3.26Å; I410-V414 PolarHBondContact O-N 3.41Å
411M98.7Very high96.6Very high1 Ų138.2 Ų38.21%0.00519%0.185CC..Hα-helixtrans-64.4-37.6-177.1-67.2-172.5-74.300112.7I172 L209 I215 L303 W404 L407 K408 V414 R415I172-M411 HydrophobicContact CD1-CB 3.82Å; I172-M411 HydrophobicContact CD1-CG 3.67Å; I172-M411 HydrophobicContact CD1-SD 4.13Å; I172-M411 HydrophobicContact CG2-CG 4.32Å; I172-M411 HydrophobicContact CG2-SD 4.38Å; L209-M411 HydrophobicContact CD1-CB 3.98Å; L209-M411 WeakPolarHBondContact CD1-O 3.43Å; L209-M411 HydrophobicContact CD2-CB 3.66Å; L209-M411 HydrophobicContact CD2-CE 4.25Å; L209-M411 HydrophobicContact CD2-CG 4.31Å; L209-M411 HydrophobicContact CD2-SD 3.82Å; L209-M411 HydrophobicContact CG-CB 4.49Å; I215-M411 HydrophobicContact CD1-SD 4.01Å; L303-M411 HydrophobicContact CD1-CG 4.33Å; W404-M411 HydrophobicContact CE3-CE 4.19Å; W404-M411 HydrophobicContact CH2-CE 3.68Å; W404-M411 HydrophobicContact CZ3-CE 3.34Å; L407-M411 HydrophobicContact CB-CE 3.92Å; L407-M411 VanDerWaalsContact O-CG 3.29Å; L407-M411 WeakPolarHBondContact O-CG 3.29Å; L407-M411 PolarHBondContact O-N 3.1Å; K408-M411 PolarHBondContact O-N 3.1Å; M411-V414 PolarHBondContact O-N 3.11Å; M411-R415 WeakPolarHBondContact O-CB 3.17Å; M411-R415 PolarHBondContact O-N 3.05Å
412E98.5Very high96.5Very high59 Ų5937.1 Ų37.128%0.27618%0.18SC..Hα-helixtrans-63.8-42.6172.8-73.5173.4158.600111.8S205 K408 I410 V414 R415 D416S205-E412 WeakPolarHBondContact CB-OE1 3.19Å; S205-E412 PolarHBondContact OG-OE1 3.27Å; K408-E412 HydrophobicContact CG-CG 4.44Å; K408-E412 WeakPolarHBondContact O-CB 3.43Å; K408-E412 VanDerWaalsContact O-CG 3.27Å; K408-E412 WeakPolarHBondContact O-CG 3.37Å; K408-E412 PolarHBondContact O-N 3.44Å; I410-E412 VanDerWaalsContact C-N 3.35Å; I410-E412 PolarHBondContact O-N 3.48Å; E412-V414 VanDerWaalsContact C-N 3.32Å; E412-V414 PolarHBondContact O-N 3.4Å; E412-R415 WeakPolarHBondContact O-CB 3.18Å; E412-R415 PolarHBondContact O-N 2.95Å; E412-D416 PolarHBondContact O-N 3.23Å; E412-D416 VanDerWaalsContact O-N 3.1Å
413H98.6Very high96.3Very high50 Ų5039.2 Ų39.223%0.23119%0.19CC..Hα-helixtrans-60-44.4175.4-174.796.3000111.4E328 L332 Y375 T409 I410 D416 N417E328-H413 IonicContact OE1-CD2 3.33Å; E328-H413 IonicContact OE1-CE1 2.64Å; E328-H413 IonicContact OE1-NE2 3.49Å; E328-H413 PolarHBondContact OE1-NE2 3.23Å; L332-H413 HydrophobicContact CD1-CB 3.54Å; L332-H413 HydrophobicContact CD2-CB 3.96Å; L332-H413 HydrophobicContact CG-CB 4.41Å; Y375-H413 AromaticContact CE1-CD2 3.44Å; Y375-H413 VanDerWaalsContact CE1-CD2 3.44Å; Y375-H413 WeakPolarHBondContact CE1-CD2 3.11Å; Y375-H413 AromaticContact CE1-NE2 3.59Å; Y375-H413 AromaticContact CZ-CD2 3.64Å; Y375-H413 AromaticContact CZ-NE2 3.79Å; Y375-H413 PolarHBondContact OH-NE2 3.1Å; T409-H413 PolarHBondContact O-N 3.42Å; I410-H413 WeakPolarHBondContact O-CB 3.48Å; I410-H413 PolarHBondContact O-N 2.99Å; H413-D416 PolarHBondContact O-N 3.01Å; H413-N417 WeakPolarHBondContact O-CB 3.46Å; H413-N417 PolarHBondContact O-N 2.72Å; H413-N417 PolarHBondContact O-ND2 2.64Å
414V98.3Very high96.2Very high0 Ų041.7 Ų41.70%020%0.202CC..Hα-helixtrans-63-43.7178.1-179.30000111I172 M213 L300 A301 Y375 I410 M411 E412 D416 N417I172-V414 HydrophobicContact CG1-CG1 4.49Å; M213-V414 HydrophobicContact CE-CG1 3.61Å; M213-V414 HydrophobicContact SD-CG1 4.13Å; L300-V414 HydrophobicContact CB-CG1 3.69Å; L300-V414 HydrophobicContact CD1-CG1 4.33Å; A301-V414 HydrophobicContact CB-CG1 4.33Å; A301-V414 HydrophobicContact CB-CG2 3.78Å; Y375-V414 HydrophobicContact CD1-CG2 4.47Å; Y375-V414 HydrophobicContact CD2-CB 4.27Å; Y375-V414 HydrophobicContact CD2-CG1 4.11Å; Y375-V414 HydrophobicContact CD2-CG2 3.6Å; Y375-V414 HydrophobicContact CE2-CG2 4.26Å; Y375-V414 HydrophobicContact CG-CG2 3.71Å; I410-V414 HydrophobicContact CG2-CG2 4.3Å; I410-V414 WeakPolarHBondContact O-CG2 3.26Å; I410-V414 PolarHBondContact O-N 3.41Å; M411-V414 PolarHBondContact O-N 3.11Å; E412-V414 VanDerWaalsContact C-N 3.32Å; E412-V414 PolarHBondContact O-N 3.4Å; V414-D416 PolarHBondContact O-N 2.91Å; V414-N417 CarbonylContact O-C 3.17Å; V414-N417 VanDerWaalsContact O-C 3.3Å; V414-N417 PolarHBondContact O-N 3.45Å
415R97.6Very high96Very high43 Ų4343.7 Ų43.716%0.16221%0.213CC..Hα-helixtrans-56.3-38.6176.3-179-159.670.4-152.5-15.1112.1S208 L209 K212 M213 M411 E412S208-R415 PolarHBondContact OG-NH1 3.31Å; L209-R415 HydrophobicContact CD1-CB 3.99Å; L209-R415 HydrophobicContact CD1-CG 4.47Å; K212-R415 HydrophobicContact CB-CG 4.15Å; K212-R415 HydrophobicContact CD-CG 3.55Å; K212-R415 HydrophobicContact CG-CG 4.45Å; M213-R415 HydrophobicContact SD-CB 4.07Å; M411-R415 WeakPolarHBondContact O-CB 3.17Å; M411-R415 PolarHBondContact O-N 3.05Å; E412-R415 WeakPolarHBondContact O-CB 3.18Å; E412-R415 PolarHBondContact O-N 2.95Å
416D97.9Very high95.8Very high87 Ų8743.1 Ų43.147%0.46521%0.208SC..Hα-helixtrans-88.5-11-176.3-62.4-20000112.9E412 H413 V414E412-D416 PolarHBondContact O-N 3.23Å; E412-D416 VanDerWaalsContact O-N 3.1Å; H413-D416 PolarHBondContact O-N 3.01Å; V414-D416 PolarHBondContact O-N 2.91Å
417N96.7Very high95.5Very high42 Ų4246.4 Ų46.423%0.22522%0.224CC..  trans-131.269.4-179.6-64.1-85.8000111.7Y375 H413 V414 Y419Y375-N417 VanDerWaalsContact OH-CB 3.32Å; Y375-N417 WeakPolarHBondContact OH-CB 3.22Å; H413-N417 WeakPolarHBondContact O-CB 3.46Å; H413-N417 PolarHBondContact O-N 2.72Å; H413-N417 PolarHBondContact O-ND2 2.64Å; V414-N417 CarbonylContact O-C 3.17Å; V414-N417 VanDerWaalsContact O-C 3.3Å; V414-N417 PolarHBondContact O-N 3.45Å; N417-Y419 VanDerWaalsContact C-N 3.26Å; N417-Y419 HydrophobicContact CB-CD1 4.25Å; N417-Y419 HydrophobicContact CB-CE1 3.53Å; N417-Y419 PolarHBondContact O-N 3.49Å; N417-Y419 PolarHBondContact OD1-OH 2.77Å
418P83.6Confident95.3Very high86 Ų8650.3 Ų50.356%0.55824%0.243SC*.  trans-83.835.2-165.835.6-39.3000115.3L300L300-P418 HydrophobicContact CD1-CB 4.14Å
419Y77.1Confident95Very high177 Ų17752 Ų5269%0.69425%0.253SS*.  trans-110.80-171.852-94.7000114.9N417N417-Y419 VanDerWaalsContact C-N 3.26Å; N417-Y419 HydrophobicContact CB-CD1 4.25Å; N417-Y419 HydrophobicContact CB-CE1 3.53Å; N417-Y419 PolarHBondContact O-N 3.49Å; N417-Y419 PolarHBondContact OD1-OH 2.77Å

Retrieved 419 of 419 residues in 83 ms (Link to these results)

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