A0A096LXR7_POEFO Loading...

pre-rRNA processing protein FTSJ3

Probable methyltransferase involved in the processing of the 34S pre-rRNA to 18S rRNA and in 40S ribosomal subunit formation.

AlphaFold DB , UniProt , Accession A0A096LXR7, Species POEFO (Poecilia formosa, Amazon molly), Gene FTSJ3, Length 853 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
1M37.4Very low44.9Very low245 Ų245153.9 Ų153.9100%1.20780%0.795SS**  0140.90-71.4-161-81.700110.1
2G37Very low47.6Very low74 Ų74151.1 Ų151.176%0.76377%0.772SS**  trans-75.4124.6178.200000112.5K4G2-K4 PolarHBondContact O-N 3.45Å; G2-K4 VanDerWaalsContact O-N 3.09Å
3K42.9Very low50.3Low205 Ų205143 Ų14389%0.89173%0.732SS**  trans-63.7108.6172.2-71.3179.5178.7175.50109L5K3-L5 PolarHBondContact O-N 2.82Å
4K39.1Very low53.1Low207 Ų207144.6 Ų144.690%0.973%0.731SS**  trans-62.598.8174-73.7-178.6178.8175.60109.5G2 K6G2-K4 PolarHBondContact O-N 3.45Å; G2-K4 VanDerWaalsContact O-N 3.09Å; K4-K6 PolarHBondContact O-N 2.78Å
5L37.5Very low55.7Low158 Ų158137.7 Ų137.783%0.82769%0.694SS**  trans-54.5123.5171.6-76.1164.6000109.1K3 V7K3-L5 PolarHBondContact O-N 2.82Å; L5-V7 PolarHBondContact O-N 3.02Å
6K44.4Very low57.9Low193 Ų193134.6 Ų134.684%0.83967%0.672SS**  trans-61.9105.9-176.7-71.8-172.2177-175.20109.8K4 G8 K9K4-K6 PolarHBondContact O-N 2.78Å; K6-G8 PolarHBondContact O-N 3.34Å; K6-K9 PolarHBondContact O-N 3.02Å
7V49.6Very low59.9Low110 Ų110131.7 Ų131.767%0.66766%0.656SS**G310 helixtrans-54.8-18.3-174.1-178.40000113.6L5 K9 T10L5-V7 PolarHBondContact O-N 3.02Å; V7-K9 VanDerWaalsContact C-N 3.26Å; V7-K9 PolarHBondContact O-N 2.87Å; V7-T10 PolarHBondContact O-N 2.93Å; V7-T10 PolarHBondContact O-OG1 3.35Å
8G53Low61.8Low55 Ų55127.3 Ų127.357%0.56764%0.635SS**G310 helixtrans-57.6-30.3170.800000114.9K6 T10 R11K6-G8 PolarHBondContact O-N 3.34Å; G8-T10 PolarHBondContact O-N 3.26Å; G8-R11 PolarHBondContact O-N 3.17Å
9K45.7Very low63.4Low192 Ų192120.7 Ų120.784%0.83560%0.603SS**G310 helixtrans-69-29.8-179.6-105.2-171176.5-174.80113.4K6 V7 R11K6-K9 PolarHBondContact O-N 3.02Å; V7-K9 VanDerWaalsContact C-N 3.26Å; V7-K9 PolarHBondContact O-N 2.87Å; K9-R11 VanDerWaalsContact C-N 3.29Å
10T47.1Very low64.9Low123 Ų123121.4 Ų121.476%0.75560%0.601SS**G310 helixtrans-84.73.1176.632.30000113.6V7 G8V7-T10 PolarHBondContact O-N 2.93Å; V7-T10 PolarHBondContact O-OG1 3.35Å; G8-T10 PolarHBondContact O-N 3.26Å
11R60.2Low66.3Low131 Ų131122.1 Ų122.149%0.49460%0.603SS.*  trans-115.345.3-176.5-137.3170-171.7-170.5-4.2114G8 K9 R187 E189G8-R11 PolarHBondContact O-N 3.17Å; K9-R11 VanDerWaalsContact C-N 3.29Å; R11-R187 PolarHBondContact O-NH2 2.95Å; R11-E189 IonicContact CZ-OE1 2.71Å; R11-E189 IonicContact CZ-OE2 2.61Å; R11-E189 IonicContact NE-OE2 3.8Å; R11-E189 IonicContact NH1-OE1 2.62Å; R11-E189 PolarHBondContact NH1-OE1 2.78Å; R11-E189 IonicContact NH1-OE2 2.99Å; R11-E189 PolarHBondContact NH1-OE2 3.29Å; R11-E189 IonicContact NH2-OE1 3.02Å; R11-E189 PolarHBondContact NH2-OE1 2.98Å; R11-E189 IonicContact NH2-OE2 2.85Å; R11-E189 PolarHBondContact NH2-OE2 3.11Å
12K76.8Confident68.9Low120 Ų120113.2 Ų113.252%0.52256%0.563SS.*  trans-62.3139.4158.3-61.7176.5176.6178.80108.4Y16K12-Y16 HydrophobicContact CB-CD1 3.84Å; K12-Y16 HydrophobicContact CB-CE1 4.39Å; K12-Y16 HydrophobicContact CB-CG 4.25Å; K12-Y16 HydrophobicContact CD-CD1 3.83Å; K12-Y16 HydrophobicContact CD-CE1 3.53Å; K12-Y16 HydrophobicContact CG-CD1 3.69Å; K12-Y16 HydrophobicContact CG-CE1 3.76Å; K12-Y16 HydrophobicContact CG-CG 4.22Å
13D83.6Confident71.6Confident46 Ų46112.2 Ų112.225%0.24655%0.552CS.*  trans-132176.6-17965.2-23.6000111.1F15 Y16 H17 R27D13-F15 PolarHBondContact O-N 2.78Å; D13-F15 VanDerWaalsContact O-N 3.1Å; D13-Y16 WeakPolarHBondContact O-CA 3.44Å; D13-Y16 WeakPolarHBondContact O-CB 3.02Å; D13-Y16 PolarHBondContact O-N 3.25Å; D13-Y16 PolarHBondContact OD1-N 2.81Å; D13-H17 PolarHBondContact O-CD2 3.09Å; D13-H17 PolarHBondContact O-N 2.98Å; D13-R27 IonicContact OD1-CZ 3.81Å; D13-R27 IonicContact OD1-NH1 2.75Å; D13-R27 PolarHBondContact OD1-NH1 2.89Å; D13-R27 IonicContact OD1-NH2 2.68Å; D13-R27 IonicContact OD2-CZ 2.64Å; D13-R27 IonicContact OD2-NH1 2.76Å; D13-R27 PolarHBondContact OD2-NH1 2.96Å; D13-R27 IonicContact OD2-NH2 3.17Å; D13-R27 PolarHBondContact OD2-NH2 2.63Å
14K89.8Confident74.1Confident166 Ų166103.5 Ų103.572%0.72251%0.514SS*.Hα-helixtrans-47.9-44.7-175.4-172.8174.9-1801780112.6Y16 H17 L18K14-Y16 VanDerWaalsContact C-N 3.34Å; K14-Y16 PolarHBondContact O-N 3.09Å; K14-H17 PolarHBondContact O-N 3.47Å; K14-L18 VanDerWaalsContact O-CB 3.22Å; K14-L18 WeakPolarHBondContact O-CB 3.38Å; K14-L18 PolarHBondContact O-N 3.23Å
15F91.4Very high76.7Confident41 Ų4197.2 Ų97.218%0.1849%0.485CS..Hα-helixtrans-73.1-18.4-179.8-60.5-74000114.9D13 A19 R27 F30 Q184 A185D13-F15 PolarHBondContact O-N 2.78Å; D13-F15 VanDerWaalsContact O-N 3.1Å; F15-A19 VanDerWaalsContact O-CB 3.29Å; F15-A19 WeakPolarHBondContact O-CB 3.31Å; F15-A19 PolarHBondContact O-N 3.42Å; F15-R27 HydrophobicContact CB-CB 4.45Å; F15-F30 HydrophobicContact CB-CD2 4.47Å; F15-F30 HydrophobicContact CD1-CB 3.99Å; F15-F30 HydrophobicContact CD1-CD2 4.24Å; F15-F30 HydrophobicContact CD1-CG 4.07Å; F15-Q184 WeakPolarHBondContact CE2-O 3.19Å; F15-A185 HydrophobicContact CD1-CB 3.98Å; F15-A185 HydrophobicContact CD2-CB 4.4Å; F15-A185 HydrophobicContact CE1-CB 4.05Å; F15-A185 HydrophobicContact CE2-CB 4.46Å; F15-A185 HydrophobicContact CG-CB 4.16Å; F15-A185 HydrophobicContact CZ-CB 4.29Å
16Y91.6Very high79.3Confident87 Ų8790.6 Ų90.634%0.34145%0.451SS..Hα-helixtrans-76.4-44169.4176.9-85.8000111.4K12 D13 K14 A19 K20K12-Y16 HydrophobicContact CB-CD1 3.84Å; K12-Y16 HydrophobicContact CB-CE1 4.39Å; K12-Y16 HydrophobicContact CB-CG 4.25Å; K12-Y16 HydrophobicContact CD-CD1 3.83Å; K12-Y16 HydrophobicContact CD-CE1 3.53Å; K12-Y16 HydrophobicContact CG-CD1 3.69Å; K12-Y16 HydrophobicContact CG-CE1 3.76Å; K12-Y16 HydrophobicContact CG-CG 4.22Å; D13-Y16 WeakPolarHBondContact O-CA 3.44Å; D13-Y16 WeakPolarHBondContact O-CB 3.02Å; D13-Y16 PolarHBondContact O-N 3.25Å; D13-Y16 PolarHBondContact OD1-N 2.81Å; K14-Y16 VanDerWaalsContact C-N 3.34Å; K14-Y16 PolarHBondContact O-N 3.09Å; Y16-A19 PolarHBondContact O-N 2.86Å; Y16-K20 PolarHBondContact O-N 3.35Å
17H91.6Very high81.6Confident86 Ų8683.5 Ų83.540%0.39842%0.419SS..Hα-helixtrans-67.2-50.4178.4-76.3-95000111D13 K14 A19 K20 E21D13-H17 PolarHBondContact O-CD2 3.09Å; D13-H17 PolarHBondContact O-N 2.98Å; K14-H17 PolarHBondContact O-N 3.47Å; H17-A19 PolarHBondContact O-N 2.88Å; H17-A19 VanDerWaalsContact O-N 3.14Å; H17-K20 WeakPolarHBondContact O-CA 3.48Å; H17-K20 WeakPolarHBondContact O-CB 3.45Å; H17-K20 PolarHBondContact O-N 3.21Å; H17-E21 WeakPolarHBondContact O-CG 3.27Å; H17-E21 PolarHBondContact O-N 3.26Å
18L93Very high83.7Confident52 Ų5279.2 Ų79.227%0.27239%0.394SS..Hα-helixtrans-56-33.8175.4-168.468.8000112.7K14 E21 T22 F30K14-L18 VanDerWaalsContact O-CB 3.22Å; K14-L18 WeakPolarHBondContact O-CB 3.38Å; K14-L18 PolarHBondContact O-N 3.23Å; L18-E21 WeakPolarHBondContact CA-OE2 3.46Å; L18-E21 PolarHBondContact O-N 3.31Å; L18-T22 HydrophobicContact CD1-CG2 4.35Å; L18-T22 HydrophobicContact CG-CG2 4.49Å; L18-T22 WeakPolarHBondContact O-CB 3.29Å; L18-T22 WeakPolarHBondContact O-CG2 3.44Å; L18-T22 PolarHBondContact O-N 2.78Å; L18-T22 PolarHBondContact O-OG1 3.36Å; L18-F30 HydrophobicContact CB-CE2 4.11Å; L18-F30 HydrophobicContact CB-CZ 4.23Å; L18-F30 HydrophobicContact CD2-CD1 4.37Å; L18-F30 HydrophobicContact CD2-CE1 3.75Å; L18-F30 HydrophobicContact CD2-CE2 4.04Å; L18-F30 HydrophobicContact CD2-CZ 3.57Å; L18-F30 HydrophobicContact CG-CE1 4.24Å; L18-F30 HydrophobicContact CG-CE2 3.98Å; L18-F30 HydrophobicContact CG-CZ 3.58Å
19A94Very high85.8Confident3 Ų376.6 Ų76.63%0.02537%0.367CS..Hα-helixtrans-67.6-35.5175.600000112.6F15 Y16 H17 G23 Y24 F30F15-A19 VanDerWaalsContact O-CB 3.29Å; F15-A19 WeakPolarHBondContact O-CB 3.31Å; F15-A19 PolarHBondContact O-N 3.42Å; Y16-A19 PolarHBondContact O-N 2.86Å; H17-A19 PolarHBondContact O-N 2.88Å; H17-A19 VanDerWaalsContact O-N 3.14Å; A19-G23 PolarHBondContact O-N 2.97Å; A19-Y24 PolarHBondContact O-N 2.8Å; A19-Y24 VanDerWaalsContact O-O 3.08Å; A19-F30 HydrophobicContact CB-CD2 4.47Å; A19-F30 HydrophobicContact CB-CE2 3.96Å
20K92.3Very high88.2Confident133 Ų13368.6 Ų68.658%0.57833%0.333SS*.Hα-helixtrans-72.9-41.4174.2-69.3-54.2-168.6-177.60112.2Y16 H17 T22 G23Y16-K20 PolarHBondContact O-N 3.35Å; H17-K20 WeakPolarHBondContact O-CA 3.48Å; H17-K20 WeakPolarHBondContact O-CB 3.45Å; H17-K20 PolarHBondContact O-N 3.21Å; K20-T22 VanDerWaalsContact C-N 3.29Å; K20-T22 PolarHBondContact O-N 3.21Å; K20-G23 PolarHBondContact O-N 3.21Å
21E93.6Very high90.5Very high137 Ų13763.2 Ų63.264%0.6430%0.299SS*.Hα-helixtrans-60.7-36.6175.2-68.5149-152.300112.4H17 L18H17-E21 WeakPolarHBondContact O-CG 3.27Å; H17-E21 PolarHBondContact O-N 3.26Å; L18-E21 WeakPolarHBondContact CA-OE2 3.46Å; L18-E21 PolarHBondContact O-N 3.31Å
22T93.3Very high92.2Very high59 Ų5957 Ų5736%0.36228%0.275SS..THydrogen-bonded Turntrans-98.49.4-177.556.20000114.8L18 K20 Y24L18-T22 HydrophobicContact CD1-CG2 4.35Å; L18-T22 HydrophobicContact CG-CG2 4.49Å; L18-T22 WeakPolarHBondContact O-CB 3.29Å; L18-T22 WeakPolarHBondContact O-CG2 3.44Å; L18-T22 PolarHBondContact O-N 2.78Å; L18-T22 PolarHBondContact O-OG1 3.36Å; K20-T22 VanDerWaalsContact C-N 3.29Å; K20-T22 PolarHBondContact O-N 3.21Å; T22-Y24 VanDerWaalsContact C-N 3.31Å; T22-Y24 PolarHBondContact O-N 3.21Å; T22-Y24 VanDerWaalsContact OG1-CD2 3.27Å; T22-Y24 WeakPolarHBondContact OG1-CD2 3.37Å
23G93.1Very high93.2Very high52 Ų5253 Ų5354%0.53626%0.259SS..THydrogen-bonded Turntrans72.312.9176.400000116.1A19 K20 Q60A19-G23 PolarHBondContact O-N 2.97Å; K20-G23 PolarHBondContact O-N 3.21Å; G23-Q60 PolarHBondContact O-NE2 3Å
24Y95.3Very high93.8Very high22 Ų2253.2 Ų53.29%0.08626%0.259CS..  trans-79.6136.7174-72.1-63.7000111.9A19 T22 S26 F30 I33 Q60 V61 K64A19-Y24 PolarHBondContact O-N 2.8Å; A19-Y24 VanDerWaalsContact O-O 3.08Å; T22-Y24 VanDerWaalsContact C-N 3.31Å; T22-Y24 PolarHBondContact O-N 3.21Å; T22-Y24 VanDerWaalsContact OG1-CD2 3.27Å; T22-Y24 WeakPolarHBondContact OG1-CD2 3.37Å; Y24-S26 VanDerWaalsContact C-N 3.3Å; Y24-S26 PolarHBondContact O-N 3.46Å; Y24-F30 HydrophobicContact CD2-CE2 4.35Å; Y24-F30 HydrophobicContact CD2-CZ 4.09Å; Y24-F30 HydrophobicContact CE2-CZ 4.4Å; Y24-I33 HydrophobicContact CE2-CD1 3.88Å; Y24-Q60 HydrophobicContact CD1-CB 3.99Å; Y24-Q60 HydrophobicContact CE1-CB 4.18Å; Y24-V61 HydrophobicContact CD1-CG2 4.24Å; Y24-V61 HydrophobicContact CE1-CG2 3.63Å; Y24-K64 HydrophobicContact CE1-CD 4.18Å; Y24-K64 WeakPolarHBondContact OH-CD 3.39Å
25R94.1Very high94.1Very high75 Ų7545.3 Ų45.328%0.28323%0.225SC..SBendtrans-64.2-34.1-179.4-70.9171.1-178.7-161.90.7112.7P55 Q60 K81 P82 I83R25-P55 HydrophobicContact CB-CG 4.23Å; R25-P55 WeakPolarHBondContact CD-O 3.17Å; R25-P55 PolarHBondContact NH1-O 3.35Å; R25-Q60 VanDerWaalsContact CG-OE1 3.24Å; R25-K81 VanDerWaalsContact CZ-O 3.24Å; R25-K81 PolarHBondContact NH1-O 2.92Å; R25-K81 PolarHBondContact NH2-O 3.05Å; R25-P82 PolarHBondContact NH2-O 2.75Å; R25-I83 VanDerWaalsContact CZ-CG1 3.46Å; R25-I83 VanDerWaalsContact NH2-CG1 3.25Å
26S92.8Very high94.3Very high19 Ų1943.5 Ų43.513%0.13322%0.217CC..  trans-133160.6-179.180.70000112.3Y24 S28 S29Y24-S26 VanDerWaalsContact C-N 3.3Å; Y24-S26 PolarHBondContact O-N 3.46Å; S26-S28 PolarHBondContact O-N 3.32Å; S26-S28 PolarHBondContact OG-N 3.25Å; S26-S28 VanDerWaalsContact OG-N 3.11Å; S26-S28 PolarHBondContact OG-OG 3.36Å; S26-S29 PolarHBondContact O-OG 3.05Å; S26-S29 PolarHBondContact OG-OG 3.46Å
27R92.6Very high94.5Very high44 Ų4449.7 Ų49.717%0.16624%0.239CC..THydrogen-bonded Turntrans-68.6-18.5165.464.6166.9-67.2153.46.6113.8D13 F15 S29 F30 A185D13-R27 IonicContact OD1-CZ 3.81Å; D13-R27 IonicContact OD1-NH1 2.75Å; D13-R27 PolarHBondContact OD1-NH1 2.89Å; D13-R27 IonicContact OD1-NH2 2.68Å; D13-R27 IonicContact OD2-CZ 2.64Å; D13-R27 IonicContact OD2-NH1 2.76Å; D13-R27 PolarHBondContact OD2-NH1 2.96Å; D13-R27 IonicContact OD2-NH2 3.17Å; D13-R27 PolarHBondContact OD2-NH2 2.63Å; F15-R27 HydrophobicContact CB-CB 4.45Å; R27-S29 PolarHBondContact O-N 3Å; R27-F30 PolarHBondContact O-N 2.73Å; R27-A185 PolarHBondContact NH2-O 3.07Å
28S93.7Very high94.7Very high20 Ų2051.1 Ų51.114%0.1424%0.244CC..THydrogen-bonded Turntrans-71.5-23.8-176.3520000111.9S26 F30 K31 L32 W58 D117S26-S28 PolarHBondContact O-N 3.32Å; S26-S28 PolarHBondContact OG-N 3.25Å; S26-S28 VanDerWaalsContact OG-N 3.11Å; S26-S28 PolarHBondContact OG-OG 3.36Å; S28-F30 PolarHBondContact O-N 2.81Å; S28-K31 WeakPolarHBondContact O-CA 3.25Å; S28-K31 WeakPolarHBondContact O-CB 3.28Å; S28-K31 WeakPolarHBondContact O-CG 3.19Å; S28-K31 PolarHBondContact O-N 3.48Å; S28-L32 PolarHBondContact O-N 3.48Å; S28-W58 PolarHBondContact O-NE1 2.97Å; S28-D117 WeakPolarHBondContact CB-OD2 3.48Å; S28-D117 PolarHBondContact OG-OD2 2.96Å
29S96Very high94.8Very high0 Ų049.6 Ų49.60%024%0.236CC..Hα-helixtrans-43.6-45.8167.9-350000112.5S26 R27 K31 L32 I33 G57S26-S29 PolarHBondContact O-OG 3.05Å; S26-S29 PolarHBondContact OG-OG 3.46Å; R27-S29 PolarHBondContact O-N 3Å; S29-K31 VanDerWaalsContact C-N 3.3Å; S29-K31 PolarHBondContact O-N 2.89Å; S29-L32 PolarHBondContact O-N 2.85Å; S29-I33 WeakPolarHBondContact O-CG1 3.46Å; S29-I33 PolarHBondContact O-N 3.33Å; S29-G57 WeakPolarHBondContact CB-O 3.47Å; S29-G57 PolarHBondContact OG-O 3.27Å
30F95.8Very high94.8Very high24 Ų2456.1 Ų56.111%0.10527%0.266CS..Hα-helixtrans-68.5-23178.2-71.9-69.3000114.6F15 L18 A19 Y24 R27 S28 I33 Q34 A185F15-F30 HydrophobicContact CB-CD2 4.47Å; F15-F30 HydrophobicContact CD1-CB 3.99Å; F15-F30 HydrophobicContact CD1-CD2 4.24Å; F15-F30 HydrophobicContact CD1-CG 4.07Å; L18-F30 HydrophobicContact CB-CE2 4.11Å; L18-F30 HydrophobicContact CB-CZ 4.23Å; L18-F30 HydrophobicContact CD2-CD1 4.37Å; L18-F30 HydrophobicContact CD2-CE1 3.75Å; L18-F30 HydrophobicContact CD2-CE2 4.04Å; L18-F30 HydrophobicContact CD2-CZ 3.57Å; L18-F30 HydrophobicContact CG-CE1 4.24Å; L18-F30 HydrophobicContact CG-CE2 3.98Å; L18-F30 HydrophobicContact CG-CZ 3.58Å; A19-F30 HydrophobicContact CB-CD2 4.47Å; A19-F30 HydrophobicContact CB-CE2 3.96Å; Y24-F30 HydrophobicContact CD2-CE2 4.35Å; Y24-F30 HydrophobicContact CD2-CZ 4.09Å; Y24-F30 HydrophobicContact CE2-CZ 4.4Å; R27-F30 PolarHBondContact O-N 2.73Å; S28-F30 PolarHBondContact O-N 2.81Å; F30-I33 HydrophobicContact CD1-CD1 3.97Å; F30-I33 HydrophobicContact CE1-CD1 4.15Å; F30-Q34 WeakPolarHBondContact O-CB 3.5Å; F30-Q34 VanDerWaalsContact O-CG 3.23Å; F30-Q34 WeakPolarHBondContact O-CG 3.34Å; F30-Q34 PolarHBondContact O-N 2.88Å; F30-Q34 VanDerWaalsContact O-N 3.09Å; F30-A185 HydrophobicContact CB-CB 3.65Å
31K95.8Very high94.9Very high10 Ų1050.5 Ų50.54%0.04324%0.241CC..Hα-helixtrans-64.6-49.1170.6-51.9174.8-175172.20109.5S28 S29 Q34 L35 W58 D117 P183 A185 E192 F194S28-K31 WeakPolarHBondContact O-CA 3.25Å; S28-K31 WeakPolarHBondContact O-CB 3.28Å; S28-K31 WeakPolarHBondContact O-CG 3.19Å; S28-K31 PolarHBondContact O-N 3.48Å; S29-K31 VanDerWaalsContact C-N 3.3Å; S29-K31 PolarHBondContact O-N 2.89Å; K31-Q34 PolarHBondContact O-N 3.5Å; K31-L35 VanDerWaalsContact O-CG 3.31Å; K31-L35 WeakPolarHBondContact O-CG 3.24Å; K31-L35 PolarHBondContact O-N 2.85Å; K31-W58 HydrophobicContact CB-CZ2 4.4Å; K31-D117 VanDerWaalsContact NZ-CG 3.34Å; K31-D117 IonicContact NZ-OD1 3.15Å; K31-D117 PolarHBondContact NZ-OD1 3.46Å; K31-D117 IonicContact NZ-OD2 2.97Å; K31-D117 PolarHBondContact NZ-OD2 3.02Å; K31-P183 HydrophobicContact CB-CG 3.94Å; K31-P183 HydrophobicContact CG-CG 4.32Å; K31-A185 HydrophobicContact CG-CB 4.19Å; K31-E192 VanDerWaalsContact CE-OE1 3.22Å; K31-E192 WeakPolarHBondContact CE-OE1 3.43Å; K31-E192 IonicContact NZ-OE1 3.38Å; K31-E192 PolarHBondContact NZ-OE1 2.86Å; K31-E192 IonicContact NZ-OE2 2.72Å; K31-E192 PolarHBondContact NZ-OE2 3.07Å; K31-F194 HydrophobicContact CD-CE1 4.32Å; K31-F194 HydrophobicContact CD-CE2 3.82Å; K31-F194 HydrophobicContact CD-CZ 3.45Å; K31-F194 VanDerWaalsContact CD-CZ 3.45Å
32L96.8Very high95Very high0 Ų044 Ų440%021%0.211CC..Hα-helixtrans-67.4-40.3-178.7-167.466.9000111.7S28 S29 Q34 L35 N36 F41 L42 W58 V61 L115S28-L32 PolarHBondContact O-N 3.48Å; S29-L32 PolarHBondContact O-N 2.85Å; L32-Q34 VanDerWaalsContact C-N 3.32Å; L32-Q34 PolarHBondContact O-N 2.82Å; L32-L35 PolarHBondContact O-N 2.91Å; L32-N36 WeakPolarHBondContact O-CB 3.44Å; L32-N36 PolarHBondContact O-N 3.48Å; L32-F41 HydrophobicContact CD1-CE2 4.01Å; L32-F41 HydrophobicContact CD1-CZ 3.78Å; L32-L42 HydrophobicContact CD2-CD1 4.49Å; L32-W58 HydrophobicContact CB-CD2 4.09Å; L32-W58 HydrophobicContact CB-CG 4.11Å; L32-W58 HydrophobicContact CB-CZ2 4.3Å; L32-W58 HydrophobicContact CD1-CD2 4.22Å; L32-W58 HydrophobicContact CD1-CE3 4.18Å; L32-W58 HydrophobicContact CD1-CH2 4.32Å; L32-W58 HydrophobicContact CD1-CZ2 4.39Å; L32-W58 HydrophobicContact CD1-CZ3 4.23Å; L32-W58 HydrophobicContact CD2-CB 3.85Å; L32-W58 HydrophobicContact CD2-CD2 4.04Å; L32-W58 HydrophobicContact CD2-CE3 4.41Å; L32-W58 HydrophobicContact CD2-CG 3.82Å; L32-W58 HydrophobicContact CG-CD2 4.35Å; L32-W58 HydrophobicContact CG-CG 4.47Å; L32-V61 HydrophobicContact CB-CG1 4.32Å; L32-V61 HydrophobicContact CD2-CB 4.08Å; L32-V61 HydrophobicContact CD2-CG1 3.94Å; L32-V61 HydrophobicContact CG-CG1 4.18Å; L32-L115 HydrophobicContact CD1-CD1 3.85Å; L32-L115 HydrophobicContact CD1-CD2 4.06Å; L32-L115 HydrophobicContact CD2-CD1 3.61Å; L32-L115 HydrophobicContact CG-CD1 4.41Å
33I96.6Very high95Very high36 Ų3645.1 Ų45.119%0.18521%0.212CC..Hα-helixtrans-57.9-44.8173.1-64.9166.1000110.8Y24 S29 F30 N36 R37 V61 F65Y24-I33 HydrophobicContact CE2-CD1 3.88Å; S29-I33 WeakPolarHBondContact O-CG1 3.46Å; S29-I33 PolarHBondContact O-N 3.33Å; F30-I33 HydrophobicContact CD1-CD1 3.97Å; F30-I33 HydrophobicContact CE1-CD1 4.15Å; I33-N36 PolarHBondContact O-N 3.02Å; I33-R37 WeakPolarHBondContact O-CB 3.1Å; I33-R37 PolarHBondContact O-N 3.19Å; I33-V61 HydrophobicContact CD1-CG2 3.95Å; I33-V61 HydrophobicContact CG1-CB 4.43Å; I33-V61 HydrophobicContact CG1-CG1 3.69Å; I33-V61 HydrophobicContact CG1-CG2 3.78Å; I33-F65 HydrophobicContact CG1-CE2 4.08Å; I33-F65 HydrophobicContact CG2-CZ 4.45Å
34Q96.1Very high95Very high51 Ų5151.5 Ų51.524%0.23823%0.225CC..Hα-helixtrans-69.8-36.5179-73.9175.4-0.600113.1F30 K31 L32 K38 P183F30-Q34 WeakPolarHBondContact O-CB 3.5Å; F30-Q34 VanDerWaalsContact O-CG 3.23Å; F30-Q34 WeakPolarHBondContact O-CG 3.34Å; F30-Q34 PolarHBondContact O-N 2.88Å; F30-Q34 VanDerWaalsContact O-N 3.09Å; K31-Q34 PolarHBondContact O-N 3.5Å; L32-Q34 VanDerWaalsContact C-N 3.32Å; L32-Q34 PolarHBondContact O-N 2.82Å; Q34-K38 PolarHBondContact O-N 3.1Å; Q34-P183 HydrophobicContact CB-CB 4.04Å
35L96.6Very high95Very high1 Ų150.5 Ų50.51%0.00522%0.221CC..Hα-helixtrans-64.8-47.2172.2-70.1168.1000110.5K31 L32 R37 K38 F39 F41 I155 T181 F194 V196K31-L35 VanDerWaalsContact O-CG 3.31Å; K31-L35 WeakPolarHBondContact O-CG 3.24Å; K31-L35 PolarHBondContact O-N 2.85Å; L32-L35 PolarHBondContact O-N 2.91Å; L35-R37 VanDerWaalsContact C-N 3.31Å; L35-R37 PolarHBondContact O-N 3.41Å; L35-K38 PolarHBondContact O-N 3.13Å; L35-F39 HydrophobicContact CD2-CD2 4.33Å; L35-F39 HydrophobicContact CD2-CE2 4.06Å; L35-F39 WeakPolarHBondContact O-CD2 3.12Å; L35-F39 PolarHBondContact O-N 2.9Å; L35-F41 HydrophobicContact CB-CE1 4.21Å; L35-F41 HydrophobicContact CB-CZ 4.34Å; L35-I155 HydrophobicContact CD1-CG2 4.23Å; L35-T181 HydrophobicContact CD2-CG2 4.2Å; L35-F194 HydrophobicContact CD1-CB 3.99Å; L35-F194 HydrophobicContact CD1-CD1 3.97Å; L35-F194 HydrophobicContact CD1-CG 3.91Å; L35-F194 HydrophobicContact CD2-CB 4.26Å; L35-V196 HydrophobicContact CD2-CG2 4.24Å
36N96.3Very high95Very high2 Ų253.7 Ų53.71%0.01123%0.233CC..Hα-helixtrans-64.9-33178.6-166.548.8000112.5L32 I33 K38 F39 Q40 F41 L42 Q43L32-N36 WeakPolarHBondContact O-CB 3.44Å; L32-N36 PolarHBondContact O-N 3.48Å; I33-N36 PolarHBondContact O-N 3.02Å; N36-K38 PolarHBondContact O-N 3.14Å; N36-F39 PolarHBondContact O-N 2.64Å; N36-Q40 WeakPolarHBondContact O-CA 3.37Å; N36-Q40 PolarHBondContact O-N 3.41Å; N36-F41 VanDerWaalsContact CA-CE1 3.5Å; N36-F41 HydrophobicContact CB-CE1 4Å; N36-F41 HydrophobicContact CB-CZ 3.87Å; N36-F41 PolarHBondContact OD1-N 2.9Å; N36-L42 HydrophobicContact CB-CD1 4.09Å; N36-L42 HydrophobicContact CB-CG 4.37Å; N36-L42 PolarHBondContact OD1-N 3.46Å; N36-Q43 PolarHBondContact ND2-NE2 3.31Å; N36-Q43 VanDerWaalsContact ND2-NE2 3.17Å; N36-Q43 PolarHBondContact ND2-OE1 3.01Å; N36-Q43 PolarHBondContact OD1-OE1 3.37Å; N36-Q43 VanDerWaalsContact OD1-OE1 3.09Å
37R95.4Very high95.2Very high217 Ų21752.8 Ų52.882%0.81923%0.227SC*.Hα-helixtrans-65.5-24.6171.7-154.1-172.485.5165.96.8113.4I33 L35I33-R37 WeakPolarHBondContact O-CB 3.1Å; I33-R37 PolarHBondContact O-N 3.19Å; L35-R37 VanDerWaalsContact C-N 3.31Å; L35-R37 PolarHBondContact O-N 3.41Å
38K95.2Very high95.5Very high116 Ų11650.8 Ų50.850%0.50422%0.219SC..Hα-helixtrans-91.2-33.7176.9179.8177169.5-174.60112.9Q34 L35 N36 T181Q34-K38 PolarHBondContact O-N 3.1Å; L35-K38 PolarHBondContact O-N 3.13Å; N36-K38 PolarHBondContact O-N 3.14Å; K38-T181 HydrophobicContact CD-CG2 4.29Å; K38-T181 PolarHBondContact NZ-OG1 3.26Å
39F94.9Very high95.7Very high21 Ų2150 Ų509%0.09221%0.214CC..Hα-helixtrans-121.3-8.6-166.1-64.4-72.4000115.3L35 N36 F41 Q179 T181 V196L35-F39 HydrophobicContact CD2-CD2 4.33Å; L35-F39 HydrophobicContact CD2-CE2 4.06Å; L35-F39 WeakPolarHBondContact O-CD2 3.12Å; L35-F39 PolarHBondContact O-N 2.9Å; N36-F39 PolarHBondContact O-N 2.64Å; F39-F41 VanDerWaalsContact C-N 3.34Å; F39-F41 HydrophobicContact CB-CD1 3.7Å; F39-F41 HydrophobicContact CB-CE1 4.06Å; F39-F41 PolarHBondContact O-N 2.97Å; F39-Q179 HydrophobicContact CE1-CB 4.46Å; F39-Q179 HydrophobicContact CZ-CB 4.46Å; F39-T181 HydrophobicContact CE2-CG2 4.47Å; F39-V196 HydrophobicContact CD1-CG1 4.13Å; F39-V196 HydrophobicContact CD2-CB 4.43Å; F39-V196 HydrophobicContact CD2-CG1 4.2Å; F39-V196 HydrophobicContact CD2-CG2 3.91Å; F39-V196 HydrophobicContact CE1-CB 4.49Å; F39-V196 HydrophobicContact CE1-CG1 4.31Å; F39-V196 HydrophobicContact CE2-CB 4.18Å; F39-V196 HydrophobicContact CE2-CG1 4.39Å; F39-V196 HydrophobicContact CE2-CG2 3.67Å; F39-V196 HydrophobicContact CG-CG1 4.06Å; F39-V196 HydrophobicContact CZ-CB 4.19Å; F39-V196 HydrophobicContact CZ-CG1 4.43Å; F39-V196 HydrophobicContact CZ-CG2 4.16Å
40Q94.1Very high95.8Very high140 Ų14050 Ų5065%0.65421%0.214SC*.  trans48.842.5169.8-62-178.9-30.300115.9N36N36-Q40 WeakPolarHBondContact O-CA 3.37Å; N36-Q40 PolarHBondContact O-N 3.41Å
41F94.8Very high95.8Very high14 Ų1448.9 Ų48.96%0.06121%0.209CC..  trans-90.8-22.9-175.553.8-90.3000114.1L32 L35 N36 F39 V113 L115 T153 I155L32-F41 HydrophobicContact CD1-CE2 4.01Å; L32-F41 HydrophobicContact CD1-CZ 3.78Å; L35-F41 HydrophobicContact CB-CE1 4.21Å; L35-F41 HydrophobicContact CB-CZ 4.34Å; N36-F41 VanDerWaalsContact CA-CE1 3.5Å; N36-F41 HydrophobicContact CB-CE1 4Å; N36-F41 HydrophobicContact CB-CZ 3.87Å; N36-F41 PolarHBondContact OD1-N 2.9Å; F39-F41 VanDerWaalsContact C-N 3.34Å; F39-F41 HydrophobicContact CB-CD1 3.7Å; F39-F41 HydrophobicContact CB-CE1 4.06Å; F39-F41 PolarHBondContact O-N 2.97Å; F41-V113 HydrophobicContact CB-CG2 4.34Å; F41-V113 HydrophobicContact CD2-CG1 4.01Å; F41-V113 HydrophobicContact CD2-CG2 4.26Å; F41-L115 HydrophobicContact CE2-CD2 4.13Å; F41-T153 HydrophobicContact CB-CG2 4.4Å; F41-I155 HydrophobicContact CD1-CD1 3.62Å; F41-I155 HydrophobicContact CD2-CD1 3.82Å; F41-I155 HydrophobicContact CE1-CD1 3.3Å; F41-I155 HydrophobicContact CE2-CD1 3.52Å; F41-I155 HydrophobicContact CG-CD1 3.89Å; F41-I155 HydrophobicContact CZ-CD1 3.27Å
42L96Very high95.8Very high0 Ų049.9 Ų49.90%022%0.217CC..SBendtrans-79.5-35.8-178.2-63.7178.3000112.9L32 N36 K44 A45 L48 V61 F65 M66L32-L42 HydrophobicContact CD2-CD1 4.49Å; N36-L42 HydrophobicContact CB-CD1 4.09Å; N36-L42 HydrophobicContact CB-CG 4.37Å; N36-L42 PolarHBondContact OD1-N 3.46Å; L42-K44 PolarHBondContact O-N 3.31Å; L42-K44 VanDerWaalsContact O-N 3.1Å; L42-A45 PolarHBondContact O-N 2.84Å; L42-A45 VanDerWaalsContact O-N 3.13Å; L42-L48 HydrophobicContact CD2-CD1 3.38Å; L42-V61 HydrophobicContact CD1-CG1 4.13Å; L42-F65 HydrophobicContact CB-CB 3.97Å; L42-F65 HydrophobicContact CD1-CB 3.82Å; L42-M66 HydrophobicContact CB-CG 4.09Å; L42-M66 HydrophobicContact CD2-CG 4.26Å; L42-M66 HydrophobicContact CD2-SD 4.21Å; L42-M66 WeakPolarHBondContact O-CG 2.82Å
43Q93.9Very high95.8Very high83 Ų8350.2 Ų50.239%0.38822%0.219SC..THydrogen-bonded Turntrans-63.6-22.4-170.6-69.885.4-19.300113.9N36N36-Q43 PolarHBondContact ND2-NE2 3.31Å; N36-Q43 VanDerWaalsContact ND2-NE2 3.17Å; N36-Q43 PolarHBondContact ND2-OE1 3.01Å; N36-Q43 PolarHBondContact OD1-OE1 3.37Å; N36-Q43 VanDerWaalsContact OD1-OE1 3.09Å
44K91.8Very high95.6Very high187 Ų18750.3 Ų50.381%0.81323%0.226SC*.THydrogen-bonded Turntrans-110-3.6179.7-61.5-172.6178.8-173.20113.5L42L42-K44 PolarHBondContact O-N 3.31Å; L42-K44 VanDerWaalsContact O-N 3.1Å
45A95.6Very high95.6Very high1 Ų151 Ų511%0.00824%0.235CC..  trans-80.8128.9-177.600000110.9L42 M66 P67 S70 D112 V113L42-A45 PolarHBondContact O-N 2.84Å; L42-A45 VanDerWaalsContact O-N 3.13Å; A45-M66 HydrophobicContact CB-CE 4.15Å; A45-M66 HydrophobicContact CB-CG 4.4Å; A45-P67 WeakPolarHBondContact O-CD 3.37Å; A45-S70 PolarHBondContact O-OG 3.41Å; A45-D112 HydrophobicContact CB-CB 3.97Å; A45-V113 HydrophobicContact CB-CG2 3.81Å
46R94.9Very high95.5Very high142 Ų14251 Ų5154%0.53623%0.234SC..SBendtrans-98.9-24.5173.1-58.1-177.267.2-166.51.5112.2S70 L71 W109 D112R46-S70 CarbonylContact O-C 3.55Å; R46-S70 VanDerWaalsContact O-CA 3.23Å; R46-S70 WeakPolarHBondContact O-CA 3.48Å; R46-S70 VanDerWaalsContact O-CB 3.28Å; R46-S70 WeakPolarHBondContact O-CB 3.19Å; R46-L71 PolarHBondContact O-N 3.27Å; R46-W109 HydrophobicContact CB-CZ3 3.99Å; R46-D112 WeakPolarHBondContact CA-OD2 3.45Å; R46-D112 PolarHBondContact N-OD2 3.31Å
47A96.9Very high95.5Very high0 Ų050.9 Ų50.90%023%0.234CC..EExtended strand (participates in β ladder)trans-132.3130.2174.600000111.8L71 W109 K110 D112 V113A47-L71 CarbonylContact C-O 3.59Å; A47-L71 VanDerWaalsContact CA-O 3.32Å; A47-L71 WeakPolarHBondContact CA-O 3.46Å; A47-W109 HydrophobicContact CB-CE3 4.25Å; A47-K110 WeakPolarHBondContact CB-O 3.35Å; A47-D112 PolarHBondContact N-OD2 3.25Å; A47-D112 PolarHBondContact O-N 3.44Å; A47-V113 PolarHBondContact O-N 3.47Å
48L97.7Very high95.5Very high1 Ų140.8 Ų40.81%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-134.6137178.6-173.5147.3000112.1L42 D50 A62 M66 L71 I72 I73 V113 L115L42-L48 HydrophobicContact CD2-CD1 3.38Å; L48-D50 HydrophobicContact CD2-CB 4.07Å; L48-A62 HydrophobicContact CD1-CB 4.16Å; L48-A62 HydrophobicContact CD2-CB 4.24Å; L48-M66 HydrophobicContact CB-CE 3.59Å; L48-M66 HydrophobicContact CB-SD 3.65Å; L48-M66 HydrophobicContact CD1-SD 3.64Å; L48-M66 HydrophobicContact CG-SD 4.23Å; L48-L71 PolarHBondContact N-O 3.25Å; L48-I72 HydrophobicContact CD2-CG2 4.2Å; L48-I72 WeakPolarHBondContact O-CA 3.3Å; L48-I73 PolarHBondContact O-N 3.15Å; L48-V113 WeakPolarHBondContact CA-O 3.41Å; L48-V113 HydrophobicContact CD1-CB 3.86Å; L48-V113 HydrophobicContact CD1-CG1 3.72Å; L48-V113 HydrophobicContact CG-CB 4.11Å; L48-V113 HydrophobicContact CG-CG1 4.2Å; L48-L115 HydrophobicContact CD1-CD1 3.93Å; L48-L115 HydrophobicContact CD1-CG 4.16Å; L48-L115 HydrophobicContact CD2-CD1 4.05Å; L48-L115 HydrophobicContact CD2-CG 4.27Å; L48-L115 HydrophobicContact CG-CD1 4.47Å; L48-L115 HydrophobicContact CG-CG 4.43Å
49V98.1Very high95.6Very high3 Ų335.3 Ų35.32%0.01817%0.172CC..EExtended strand (participates in β ladder)trans-115.7126.7169.5-176.80000109.9L51 I73 V75 L102 L106 A111 V113 V114 L115V49-L51 HydrophobicContact CG1-CD2 3.72Å; V49-L51 HydrophobicContact CG1-CG 4.26Å; V49-I73 CarbonylContact C-O 3.57Å; V49-I73 VanDerWaalsContact CA-O 3.31Å; V49-I73 WeakPolarHBondContact CA-O 3.31Å; V49-V75 HydrophobicContact CG1-CG2 4.48Å; V49-L102 HydrophobicContact CG1-CD2 3.92Å; V49-L102 HydrophobicContact CG2-CD2 4.33Å; V49-L106 HydrophobicContact CG2-CD1 4.26Å; V49-A111 HydrophobicContact CG2-CB 4.08Å; V49-V113 PolarHBondContact N-O 3.28Å; V49-V114 HydrophobicContact CB-CG2 4.35Å; V49-V114 CarbonylContact O-C 3.59Å; V49-V114 WeakPolarHBondContact O-CA 3.25Å; V49-L115 PolarHBondContact O-N 2.89Å
50D97.9Very high95.7Very high1 Ų135.8 Ų35.81%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-109.8111.4177.4-16417.4000109L48 A53 W58 L59 I73 G74 V75 L115L48-D50 HydrophobicContact CD2-CB 4.07Å; D50-A53 HydrophobicContact CB-CB 3.92Å; D50-A53 WeakPolarHBondContact OD2-CB 3.44Å; D50-W58 WeakPolarHBondContact OD2-CB 3.49Å; D50-L59 HydrophobicContact CB-CD2 3.54Å; D50-L59 HydrophobicContact CB-CG 4.25Å; D50-L59 WeakPolarHBondContact OD2-CG 3.46Å; D50-L59 PolarHBondContact OD2-N 3.48Å; D50-L59 VanDerWaalsContact OD2-N 3.16Å; D50-I73 PolarHBondContact N-O 3.19Å; D50-G74 WeakPolarHBondContact O-CA 3.44Å; D50-V75 PolarHBondContact O-N 3.03Å; D50-L115 HydrophobicContact CB-CB 4.48Å; D50-L115 WeakPolarHBondContact OD1-CB 3.18Å
51L97.4Very high95.8Very high1 Ų129.1 Ų29.11%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-96.6138.8-176.5-57.4176.3000110.6V49 A53 V75 I93 V114 L115 N116 A140 L143V49-L51 HydrophobicContact CG1-CD2 3.72Å; V49-L51 HydrophobicContact CG1-CG 4.26Å; L51-A53 VanDerWaalsContact C-N 3.27Å; L51-A53 PolarHBondContact O-N 3.41Å; L51-V75 HydrophobicContact CD2-CB 4.18Å; L51-V75 HydrophobicContact CD2-CG2 4.22Å; L51-I93 HydrophobicContact CD2-CG2 4.3Å; L51-V114 HydrophobicContact CD1-CG1 3.83Å; L51-V114 HydrophobicContact CG-CG1 4.23Å; L51-L115 WeakPolarHBondContact CB-O 3.49Å; L51-L115 PolarHBondContact N-O 2.9Å; L51-N116 HydrophobicContact CB-CB 4.5Å; L51-N116 WeakPolarHBondContact O-CA 3.35Å; L51-A140 HydrophobicContact CD1-CB 3.91Å; L51-L143 HydrophobicContact CD1-CB 4.15Å; L51-L143 HydrophobicContact CD1-CD1 4.02Å; L51-L143 HydrophobicContact CD2-CD1 3.87Å
52C95.7Very high95.9Very high30 Ų3028.5 Ų28.520%0.20314%0.141CC..THydrogen-bonded Turntrans54.345.8-170.7-59.30000111.6A54 V75 D76C52-A54 PolarHBondContact O-N 2.78Å; C52-V75 WeakPolarHBondContact CA-O 3.15Å; C52-V75 PolarHBondContact N-O 2.69Å; C52-D76 VanDerWaalsContact CA-OD2 3.24Å; C52-D76 WeakPolarHBondContact CA-OD2 3.2Å
53A95.8Very high95.9Very high7 Ų730.5 Ų30.56%0.05816%0.155CC..  trans-77.1-11.2-166.600000115.2D50 L51 G56 L59 V75 D76 I80D50-A53 HydrophobicContact CB-CB 3.92Å; D50-A53 WeakPolarHBondContact OD2-CB 3.44Å; L51-A53 VanDerWaalsContact C-N 3.27Å; L51-A53 PolarHBondContact O-N 3.41Å; A53-G56 VanDerWaalsContact O-CA 3.28Å; A53-G56 WeakPolarHBondContact O-CA 3.44Å; A53-G56 PolarHBondContact O-N 3.26Å; A53-L59 HydrophobicContact CB-CD1 4.05Å; A53-L59 HydrophobicContact CB-CG 4.17Å; A53-V75 PolarHBondContact N-O 2.89Å; A53-V75 VanDerWaalsContact N-O 3.16Å; A53-D76 PolarHBondContact N-OD2 3.08Å; A53-D76 VanDerWaalsContact N-OD2 3.13Å; A53-I80 HydrophobicContact CB-CD1 3.75Å
54A93.6Very high95.9Very high38 Ų3832.2 Ų32.231%0.31416%0.161SC..THydrogen-bonded Turntrans-63.2136-171.600000112.5C52 D76 V78 I80C52-A54 PolarHBondContact O-N 2.78Å; A54-D76 HydrophobicContact CB-CB 3.94Å; A54-D76 VanDerWaalsContact CB-OD2 3.23Å; A54-D76 WeakPolarHBondContact CB-OD2 3.42Å; A54-D76 PolarHBondContact N-OD2 3.2Å; A54-V78 HydrophobicContact CB-CB 4.18Å; A54-I80 HydrophobicContact CB-CD1 4.44Å; A54-I80 HydrophobicContact CB-CG1 4.08Å
55P94.5Very high96.1Very high66 Ų6627.2 Ų27.243%0.42914%0.14SC..THydrogen-bonded Turncis-91.820.510.837.9-38.4000115R25R25-P55 HydrophobicContact CB-CG 4.23Å; R25-P55 WeakPolarHBondContact CD-O 3.17Å; R25-P55 PolarHBondContact NH1-O 3.35Å
56G94.9Very high96.1Very high0 Ų027.9 Ų27.90%014%0.143CC..THydrogen-bonded Turntrans89.626.6-17700000114.3A53 Q60 I83A53-G56 VanDerWaalsContact O-CA 3.28Å; A53-G56 WeakPolarHBondContact O-CA 3.44Å; A53-G56 PolarHBondContact O-N 3.26Å; G56-Q60 WeakPolarHBondContact O-CG 3.49Å; G56-Q60 PolarHBondContact O-N 2.73Å; G56-Q60 VanDerWaalsContact O-N 3.08Å; G56-I83 WeakPolarHBondContact O-CD1 3.49Å
57G95.6Very high96Very high1 Ų123.9 Ų23.91%0.0114%0.135CC..THydrogen-bonded Turntrans-72.2-30.3177.700000113.7S29S29-G57 WeakPolarHBondContact CB-O 3.47Å; S29-G57 PolarHBondContact OG-O 3.27Å
58W96.9Very high95.7Very high5 Ų530 Ų302%0.01917%0.172CC..THydrogen-bonded Turntrans-79.2-44.6175-82.520.9000111.2S28 K31 L32 D50 Q60 V61 A62 L115 D117 F194S28-W58 PolarHBondContact O-NE1 2.97Å; K31-W58 HydrophobicContact CB-CZ2 4.4Å; L32-W58 HydrophobicContact CB-CD2 4.09Å; L32-W58 HydrophobicContact CB-CG 4.11Å; L32-W58 HydrophobicContact CB-CZ2 4.3Å; L32-W58 HydrophobicContact CD1-CD2 4.22Å; L32-W58 HydrophobicContact CD1-CE3 4.18Å; L32-W58 HydrophobicContact CD1-CH2 4.32Å; L32-W58 HydrophobicContact CD1-CZ2 4.39Å; L32-W58 HydrophobicContact CD1-CZ3 4.23Å; L32-W58 HydrophobicContact CD2-CB 3.85Å; L32-W58 HydrophobicContact CD2-CD2 4.04Å; L32-W58 HydrophobicContact CD2-CE3 4.41Å; L32-W58 HydrophobicContact CD2-CG 3.82Å; L32-W58 HydrophobicContact CG-CD2 4.35Å; L32-W58 HydrophobicContact CG-CG 4.47Å; D50-W58 WeakPolarHBondContact OD2-CB 3.49Å; W58-Q60 VanDerWaalsContact C-N 3.32Å; W58-Q60 PolarHBondContact O-N 3.48Å; W58-V61 CarbonylContact O-C 3.47Å; W58-V61 WeakPolarHBondContact O-CA 3.45Å; W58-V61 WeakPolarHBondContact O-CB 3.49Å; W58-V61 PolarHBondContact O-N 2.82Å; W58-A62 PolarHBondContact O-N 2.95Å; W58-L115 HydrophobicContact CE3-CB 3.86Å; W58-L115 HydrophobicContact CE3-CD1 3.98Å; W58-L115 HydrophobicContact CE3-CG 4.45Å; W58-L115 HydrophobicContact CZ3-CB 3.95Å; W58-D117 HydrophobicContact CD2-CB 4.06Å; W58-D117 HydrophobicContact CE3-CB 4.11Å; W58-D117 HydrophobicContact CH2-CB 3.88Å; W58-D117 HydrophobicContact CZ2-CB 3.78Å; W58-D117 HydrophobicContact CZ3-CB 4.03Å; W58-F194 AromaticContact CH2-CD1 3.88Å; W58-F194 HydrophobicContact CH2-CD1 3.88Å; W58-F194 AromaticContact CH2-CE1 3.56Å; W58-F194 HydrophobicContact CH2-CE1 3.56Å; W58-F194 HydrophobicContact CZ2-CD1 4.25Å; W58-F194 AromaticContact CZ2-CE1 3.64Å; W58-F194 HydrophobicContact CZ2-CE1 3.64Å; W58-F194 HydrophobicContact CZ2-CZ 4.39Å
59L97.2Very high95.3Very high0 Ų034.7 Ų34.70%021%0.205CC..Hα-helixtrans-46.3-47164.4-61.5175000114.3D50 A53 V61 A62 S63 I72 I80 I83 V86 T88D50-L59 HydrophobicContact CB-CD2 3.54Å; D50-L59 HydrophobicContact CB-CG 4.25Å; D50-L59 WeakPolarHBondContact OD2-CG 3.46Å; D50-L59 PolarHBondContact OD2-N 3.48Å; D50-L59 VanDerWaalsContact OD2-N 3.16Å; A53-L59 HydrophobicContact CB-CD1 4.05Å; A53-L59 HydrophobicContact CB-CG 4.17Å; L59-V61 PolarHBondContact O-N 3.31Å; L59-A62 PolarHBondContact O-N 3.45Å; L59-S63 VanDerWaalsContact O-CB 3.27Å; L59-S63 WeakPolarHBondContact O-CB 3.29Å; L59-S63 PolarHBondContact O-N 2.83Å; L59-I72 HydrophobicContact CD2-CG2 3.82Å; L59-I80 HydrophobicContact CD1-CD1 3.92Å; L59-I80 HydrophobicContact CD1-CG2 4.29Å; L59-I83 HydrophobicContact CB-CD1 3.6Å; L59-I83 HydrophobicContact CD1-CD1 4.13Å; L59-V86 HydrophobicContact CB-CG1 4.21Å; L59-V86 HydrophobicContact CD1-CG1 3.98Å; L59-V86 HydrophobicContact CD2-CG1 3.84Å; L59-V86 HydrophobicContact CG-CG1 4.23Å; L59-T88 HydrophobicContact CD1-CG2 4.11Å
60Q96.4Very high95.1Very high32 Ų3235.2 Ų35.215%0.1521%0.209CC..Hα-helixtrans-62.9-19.8175.5-84-170.4-57.400114.5G23 Y24 R25 G56 W58 K64 I83G23-Q60 PolarHBondContact O-NE2 3Å; Y24-Q60 HydrophobicContact CD1-CB 3.99Å; Y24-Q60 HydrophobicContact CE1-CB 4.18Å; R25-Q60 VanDerWaalsContact CG-OE1 3.24Å; G56-Q60 WeakPolarHBondContact O-CG 3.49Å; G56-Q60 PolarHBondContact O-N 2.73Å; G56-Q60 VanDerWaalsContact O-N 3.08Å; W58-Q60 VanDerWaalsContact C-N 3.32Å; W58-Q60 PolarHBondContact O-N 3.48Å; Q60-K64 WeakPolarHBondContact O-CD 3.46Å; Q60-K64 WeakPolarHBondContact O-CG 3.45Å; Q60-I83 HydrophobicContact CG-CD1 4.03Å; Q60-I83 HydrophobicContact CG-CG1 4.46Å; Q60-I83 HydrophobicContact CG-CG2 4.49Å
61V96.6Very high95Very high0 Ų037.5 Ų37.50%022%0.221CC..Hα-helixtrans-90.3-44.5175170.70000109.6Y24 L32 I33 L42 W58 L59 S63 K64 F65Y24-V61 HydrophobicContact CD1-CG2 4.24Å; Y24-V61 HydrophobicContact CE1-CG2 3.63Å; L32-V61 HydrophobicContact CB-CG1 4.32Å; L32-V61 HydrophobicContact CD2-CB 4.08Å; L32-V61 HydrophobicContact CD2-CG1 3.94Å; L32-V61 HydrophobicContact CG-CG1 4.18Å; I33-V61 HydrophobicContact CD1-CG2 3.95Å; I33-V61 HydrophobicContact CG1-CB 4.43Å; I33-V61 HydrophobicContact CG1-CG1 3.69Å; I33-V61 HydrophobicContact CG1-CG2 3.78Å; L42-V61 HydrophobicContact CD1-CG1 4.13Å; W58-V61 CarbonylContact O-C 3.47Å; W58-V61 WeakPolarHBondContact O-CA 3.45Å; W58-V61 WeakPolarHBondContact O-CB 3.49Å; W58-V61 PolarHBondContact O-N 2.82Å; L59-V61 PolarHBondContact O-N 3.31Å; V61-S63 PolarHBondContact O-N 2.94Å; V61-K64 PolarHBondContact O-N 3.18Å; V61-F65 HydrophobicContact CG1-CD2 3.74Å; V61-F65 HydrophobicContact CG1-CE2 4.12Å; V61-F65 WeakPolarHBondContact O-CD2 3.27Å; V61-F65 PolarHBondContact O-N 2.99Å; V61-F65 VanDerWaalsContact O-N 3.07Å
62A96.8Very high95Very high0 Ų037.7 Ų37.70%022%0.222CC..Hα-helixtrans-52.2-52.8172.600000111.4L48 W58 L59 K64 F65 M66 I72L48-A62 HydrophobicContact CD1-CB 4.16Å; L48-A62 HydrophobicContact CD2-CB 4.24Å; W58-A62 PolarHBondContact O-N 2.95Å; L59-A62 PolarHBondContact O-N 3.45Å; A62-K64 PolarHBondContact O-N 3.33Å; A62-F65 PolarHBondContact O-N 3.26Å; A62-F65 VanDerWaalsContact O-N 3.08Å; A62-M66 HydrophobicContact CB-SD 3.83Å; A62-M66 WeakPolarHBondContact O-CB 3.23Å; A62-M66 PolarHBondContact O-N 2.79Å; A62-I72 HydrophobicContact CB-CD1 3.98Å; A62-I72 HydrophobicContact CB-CG2 4.12Å
63S95.4Very high95.1Very high42 Ų4236.3 Ų36.329%0.29421%0.212SC..Hα-helixtrans-56.4-22177.1173.10000114.6L59 V61 P84L59-S63 VanDerWaalsContact O-CB 3.27Å; L59-S63 WeakPolarHBondContact O-CB 3.29Å; L59-S63 PolarHBondContact O-N 2.83Å; V61-S63 PolarHBondContact O-N 2.94Å; S63-P84 PolarHBondContact OG-O 3.24Å
64K93.9Very high95.2Very high120 Ų12036 Ų3652%0.52221%0.21SC..Hα-helixtrans-99.8-16.8178.3-74.1-178.9177.1-173.80114.9Y24 Q60 V61 A62Y24-K64 HydrophobicContact CE1-CD 4.18Å; Y24-K64 WeakPolarHBondContact OH-CD 3.39Å; Q60-K64 WeakPolarHBondContact O-CD 3.46Å; Q60-K64 WeakPolarHBondContact O-CG 3.45Å; V61-K64 PolarHBondContact O-N 3.18Å; A62-K64 PolarHBondContact O-N 3.33Å
65F95.5Very high95.4Very high82 Ų8234.1 Ų34.136%0.3620%0.195SC..Hα-helixtrans-119.3-13.1-172.3-81.1-84.2000114.1I33 L42 V61 A62I33-F65 HydrophobicContact CG1-CE2 4.08Å; I33-F65 HydrophobicContact CG2-CZ 4.45Å; L42-F65 HydrophobicContact CB-CB 3.97Å; L42-F65 HydrophobicContact CD1-CB 3.82Å; V61-F65 HydrophobicContact CG1-CD2 3.74Å; V61-F65 HydrophobicContact CG1-CE2 4.12Å; V61-F65 WeakPolarHBondContact O-CD2 3.27Å; V61-F65 PolarHBondContact O-N 2.99Å; V61-F65 VanDerWaalsContact O-N 3.07Å; A62-F65 PolarHBondContact O-N 3.26Å; A62-F65 VanDerWaalsContact O-N 3.08Å
66M96Very high95.5Very high15 Ų1532 Ų327%0.07418%0.179CC..SBendtrans-90.4157.5170.2-67.7167.958.900110.6L42 A45 L48 A62 I72L42-M66 HydrophobicContact CB-CG 4.09Å; L42-M66 HydrophobicContact CD2-CG 4.26Å; L42-M66 HydrophobicContact CD2-SD 4.21Å; L42-M66 WeakPolarHBondContact O-CG 2.82Å; A45-M66 HydrophobicContact CB-CE 4.15Å; A45-M66 HydrophobicContact CB-CG 4.4Å; L48-M66 HydrophobicContact CB-CE 3.59Å; L48-M66 HydrophobicContact CB-SD 3.65Å; L48-M66 HydrophobicContact CD1-SD 3.64Å; L48-M66 HydrophobicContact CG-SD 4.23Å; A62-M66 HydrophobicContact CB-SD 3.83Å; A62-M66 WeakPolarHBondContact O-CB 3.23Å; A62-M66 PolarHBondContact O-N 2.79Å; M66-I72 HydrophobicContact CE-CD1 4.17Å; M66-I72 HydrophobicContact CE-CG1 3.69Å; M66-I72 HydrophobicContact SD-CD1 3.88Å; M66-I72 HydrophobicContact SD-CG1 3.91Å
67P94.2Very high95.4Very high58 Ų5837.1 Ų37.138%0.37721%0.206SC..  trans-55.5148.6172.1-24.934000113.1A45 S69 S70A45-P67 WeakPolarHBondContact O-CD 3.37Å; P67-S69 PolarHBondContact O-N 3.48Å; P67-S69 VanDerWaalsContact O-N 3.13Å; P67-S70 WeakPolarHBondContact CD-OG 3.43Å; P67-S70 WeakPolarHBondContact O-CB 3.21Å; P67-S70 PolarHBondContact O-N 3.26Å; P67-S70 VanDerWaalsContact O-N 3.09Å; P67-S70 PolarHBondContact O-OG 3.04Å
68V89.1Confident95.4Very high128 Ų12841.2 Ų41.278%0.77623%0.231SC*.THydrogen-bonded Turntrans-59.2-31.2-172.5-175.40000113.4S70V68-S70 VanDerWaalsContact C-N 3.3Å; V68-S70 PolarHBondContact O-N 3.45Å
69S89.1Confident95.3Very high100 Ų10045.1 Ų45.170%0.69926%0.257SS*.THydrogen-bonded Turntrans-89.824.9179.664.60000114P67P67-S69 PolarHBondContact O-N 3.48Å; P67-S69 VanDerWaalsContact O-N 3.13Å
70S94.9Very high95.2Very high13 Ų1346 Ų469%0.09126%0.261CS..  trans-96.5141.7-176.6-51.20000112.2A45 R46 P67 V68A45-S70 PolarHBondContact O-OG 3.41Å; R46-S70 CarbonylContact O-C 3.55Å; R46-S70 VanDerWaalsContact O-CA 3.23Å; R46-S70 WeakPolarHBondContact O-CA 3.48Å; R46-S70 VanDerWaalsContact O-CB 3.28Å; R46-S70 WeakPolarHBondContact O-CB 3.19Å; P67-S70 WeakPolarHBondContact CD-OG 3.43Å; P67-S70 WeakPolarHBondContact O-CB 3.21Å; P67-S70 PolarHBondContact O-N 3.26Å; P67-S70 VanDerWaalsContact O-N 3.09Å; P67-S70 PolarHBondContact O-OG 3.04Å; V68-S70 VanDerWaalsContact C-N 3.3Å; V68-S70 PolarHBondContact O-N 3.45Å
71L95.8Very high95.1Very high49 Ų4952.3 Ų52.326%0.25729%0.288SS..EExtended strand (participates in β ladder)trans-82.9120.5176.3179.157.3000110R46 A47 L48 I73 V87 L106R46-L71 PolarHBondContact O-N 3.27Å; A47-L71 CarbonylContact C-O 3.59Å; A47-L71 VanDerWaalsContact CA-O 3.32Å; A47-L71 WeakPolarHBondContact CA-O 3.46Å; L48-L71 PolarHBondContact N-O 3.25Å; L71-I73 HydrophobicContact CD1-CD1 4.43Å; L71-I73 HydrophobicContact CD1-CG1 4.11Å; L71-I73 HydrophobicContact CD2-CD1 4.26Å; L71-I73 HydrophobicContact CG-CD1 4.22Å; L71-I73 HydrophobicContact CG-CG1 4.19Å; L71-V87 HydrophobicContact CD1-CG2 4.38Å; L71-L106 HydrophobicContact CD2-CD2 4.05Å
72I97.5Very high95Very high6 Ų657.7 Ų57.73%0.03132%0.323CS..EExtended strand (participates in β ladder)trans-124.1120.4178.9-55174.1000108.3L48 L59 A62 M66 V86 V87L48-I72 HydrophobicContact CD2-CG2 4.2Å; L48-I72 WeakPolarHBondContact O-CA 3.3Å; L59-I72 HydrophobicContact CD2-CG2 3.82Å; A62-I72 HydrophobicContact CB-CD1 3.98Å; A62-I72 HydrophobicContact CB-CG2 4.12Å; M66-I72 HydrophobicContact CE-CD1 4.17Å; M66-I72 HydrophobicContact CE-CG1 3.69Å; M66-I72 HydrophobicContact SD-CD1 3.88Å; M66-I72 HydrophobicContact SD-CG1 3.91Å; I72-V86 HydrophobicContact CB-CG1 4.49Å; I72-V86 HydrophobicContact CB-CG2 4.14Å; I72-V86 HydrophobicContact CD1-CG2 4.44Å; I72-V86 HydrophobicContact CG2-CG1 4.09Å; I72-V86 HydrophobicContact CG2-CG2 4.03Å; I72-V87 PolarHBondContact O-N 2.87Å
73I97.7Very high94.9Very high0 Ų058.4 Ų58.40%033%0.327CS..EExtended strand (participates in β ladder)trans-119.9122.6-178.9-54.4165.3000109.1L48 V49 D50 L71 V75 V87 L89 L102 E105 L106L48-I73 PolarHBondContact O-N 3.15Å; V49-I73 CarbonylContact C-O 3.57Å; V49-I73 VanDerWaalsContact CA-O 3.31Å; V49-I73 WeakPolarHBondContact CA-O 3.31Å; D50-I73 PolarHBondContact N-O 3.19Å; L71-I73 HydrophobicContact CD1-CD1 4.43Å; L71-I73 HydrophobicContact CD1-CG1 4.11Å; L71-I73 HydrophobicContact CD2-CD1 4.26Å; L71-I73 HydrophobicContact CG-CD1 4.22Å; L71-I73 HydrophobicContact CG-CG1 4.19Å; I73-V75 HydrophobicContact CG2-CG2 4.46Å; I73-V87 CarbonylContact C-O 3.45Å; I73-V87 WeakPolarHBondContact CA-O 3.5Å; I73-V87 HydrophobicContact CG1-CB 4.27Å; I73-L89 HydrophobicContact CG2-CD1 3.92Å; I73-L89 HydrophobicContact CG2-CG 4.21Å; I73-L102 HydrophobicContact CG2-CD2 3.99Å; I73-E105 HydrophobicContact CD1-CB 3.79Å; I73-E105 HydrophobicContact CG1-CB 4.49Å; I73-L106 HydrophobicContact CD1-CD2 3.68Å; I73-L106 HydrophobicContact CD1-CG 3.71Å
74G97.5Very high94.8Very high0 Ų061.3 Ų61.30%035%0.345CS..EExtended strand (participates in β ladder)trans-102.7136.6171.100000112.1D50 V87 T88 L89D50-G74 WeakPolarHBondContact O-CA 3.44Å; G74-V87 PolarHBondContact N-O 2.91Å; G74-T88 CarbonylContact O-C 3.53Å; G74-T88 WeakPolarHBondContact O-CA 3.46Å; G74-L89 PolarHBondContact O-N 3.49Å
75V97.2Very high94.7Very high0 Ų060.7 Ų60.70%035%0.347CS..EExtended strand (participates in β ladder)trans-123.4129.4176.1-170.90000110.2V49 D50 L51 C52 A53 I73 L89 E91 I93 L102V49-V75 HydrophobicContact CG1-CG2 4.48Å; D50-V75 PolarHBondContact O-N 3.03Å; L51-V75 HydrophobicContact CD2-CB 4.18Å; L51-V75 HydrophobicContact CD2-CG2 4.22Å; C52-V75 WeakPolarHBondContact CA-O 3.15Å; C52-V75 PolarHBondContact N-O 2.69Å; A53-V75 PolarHBondContact N-O 2.89Å; A53-V75 VanDerWaalsContact N-O 3.16Å; I73-V75 HydrophobicContact CG2-CG2 4.46Å; V75-L89 HydrophobicContact CG2-CB 4.43Å; V75-L89 HydrophobicContact CG2-CD1 4.4Å; V75-E91 HydrophobicContact CG1-CB 4.31Å; V75-I93 HydrophobicContact CG1-CG2 3.91Å; V75-L102 HydrophobicContact CG2-CD1 4.44Å; V75-L102 HydrophobicContact CG2-CD2 3.89Å; V75-L102 HydrophobicContact CG2-CG 4.34Å
76D96.5Very high94.7Very high20 Ų2057.7 Ų57.711%0.10734%0.336CS..EExtended strand (participates in β ladder)trans-153.5162.5171.7-156.7-77.2000111.6C52 A53 A54 V78 I80 L89 Q90 E91C52-D76 VanDerWaalsContact CA-OD2 3.24Å; C52-D76 WeakPolarHBondContact CA-OD2 3.2Å; A53-D76 PolarHBondContact N-OD2 3.08Å; A53-D76 VanDerWaalsContact N-OD2 3.13Å; A54-D76 HydrophobicContact CB-CB 3.94Å; A54-D76 VanDerWaalsContact CB-OD2 3.23Å; A54-D76 WeakPolarHBondContact CB-OD2 3.42Å; A54-D76 PolarHBondContact N-OD2 3.2Å; D76-V78 VanDerWaalsContact C-N 3.31Å; D76-V78 WeakPolarHBondContact OD1-CB 3.36Å; D76-V78 PolarHBondContact OD1-N 3.23Å; D76-I80 HydrophobicContact CB-CD1 4.07Å; D76-I80 HydrophobicContact CB-CG1 4.31Å; D76-L89 PolarHBondContact N-O 3.34Å; D76-Q90 CarbonylContact O-C 3.57Å; D76-Q90 VanDerWaalsContact O-CA 3.26Å; D76-Q90 WeakPolarHBondContact O-CA 3.47Å; D76-E91 CarbonylContact C-O 3.59Å; D76-E91 PolarHBondContact O-N 3.22Å
77L94.2Very high94.7Very high109 Ų10959.2 Ų59.257%0.57135%0.346SS*.SBendtrans-70.6-29.7170.4-68.1168.6000111.9Q90 D92L77-Q90 WeakPolarHBondContact O-CG 3.48Å; L77-Q90 PolarHBondContact O-NE2 2.93Å; L77-D92 HydrophobicContact CD2-CB 3.53Å
78V94.5Very high94.9Very high86 Ų8658.6 Ų58.652%0.52134%0.341SS..SBendtrans-97.9133.1-175.6-178.10000109.8A54 D76 I80A54-V78 HydrophobicContact CB-CB 4.18Å; D76-V78 VanDerWaalsContact C-N 3.31Å; D76-V78 WeakPolarHBondContact OD1-CB 3.36Å; D76-V78 PolarHBondContact OD1-N 3.23Å; V78-I80 PolarHBondContact O-N 2.88Å; V78-I80 VanDerWaalsContact O-N 3.14Å
79P95.6Very high95.2Very high88 Ų8853.9 Ų53.957%0.57131%0.311SS*.PPolyproline II helixtrans-61.7119.5-178.624.1-33000111.6
80I95.6Very high95.5Very high17 Ų1754.6 Ų54.69%0.08730%0.303CS..PPolyproline II helixtrans-83.3128.5175.9-57.9-178.7000108.4A53 A54 L59 D76 V78 T88A53-I80 HydrophobicContact CB-CD1 3.75Å; A54-I80 HydrophobicContact CB-CD1 4.44Å; A54-I80 HydrophobicContact CB-CG1 4.08Å; L59-I80 HydrophobicContact CD1-CD1 3.92Å; L59-I80 HydrophobicContact CD1-CG2 4.29Å; D76-I80 HydrophobicContact CB-CD1 4.07Å; D76-I80 HydrophobicContact CB-CG1 4.31Å; V78-I80 PolarHBondContact O-N 2.88Å; V78-I80 VanDerWaalsContact O-N 3.14Å; I80-T88 HydrophobicContact CB-CG2 4.08Å; I80-T88 HydrophobicContact CG2-CG2 4.01Å
81K94.3Very high95.6Very high165 Ų16555.9 Ų55.972%0.71731%0.308SS*.PPolyproline II helixtrans-59.6137.7172.6-66.3-164.8175.1-1610109.7R25R25-K81 VanDerWaalsContact CZ-O 3.24Å; R25-K81 PolarHBondContact NH1-O 2.92Å; R25-K81 PolarHBondContact NH2-O 3.05Å
82P94.6Very high95.5Very high113 Ų11356.3 Ų56.373%0.73431%0.31SS*.PPolyproline II helixtrans-49.4146.5-178-3136000114.4R25R25-P82 PolarHBondContact NH2-O 2.75Å
83I94.8Very high95.3Very high15 Ų1556.4 Ų56.48%0.07731%0.311CS..BIsolated β-bridgetrans-129.2135.9175.5-62.1167000106.6R25 G56 L59 Q60 N85 V86R25-I83 VanDerWaalsContact CZ-CG1 3.46Å; R25-I83 VanDerWaalsContact NH2-CG1 3.25Å; G56-I83 WeakPolarHBondContact O-CD1 3.49Å; L59-I83 HydrophobicContact CB-CD1 3.6Å; L59-I83 HydrophobicContact CD1-CD1 4.13Å; Q60-I83 HydrophobicContact CG-CD1 4.03Å; Q60-I83 HydrophobicContact CG-CG1 4.46Å; Q60-I83 HydrophobicContact CG-CG2 4.49Å; I83-N85 PolarHBondContact O-N 3.17Å; I83-V86 HydrophobicContact CB-CB 4.01Å; I83-V86 HydrophobicContact CB-CG2 4.09Å; I83-V86 HydrophobicContact CG2-CB 4.24Å; I83-V86 HydrophobicContact CG2-CG2 3.76Å; I83-V86 PolarHBondContact O-N 2.92Å
84P92.2Very high95.1Very high103 Ų10359.4 Ų59.467%0.66933%0.329SS*.THydrogen-bonded Turntrans-55.8138.2175.1-25.935.5000112.2S63 V86S63-P84 PolarHBondContact OG-O 3.24Å; P84-V86 VanDerWaalsContact C-N 3.26Å; P84-V86 PolarHBondContact O-N 3.22Å
85N91.6Very high94.9Very high108 Ų10861.7 Ų61.758%0.57834%0.344SS*.THydrogen-bonded Turntrans56.633.7-179.3-54.98.8000113.9I83I83-N85 PolarHBondContact O-N 3.17Å
86V96.6Very high94.7Very high19 Ų1965.3 Ų65.312%0.11536%0.361CS..BIsolated β-bridgetrans-139.2127176.3178.10000110.4L59 I72 I83 P84 T88L59-V86 HydrophobicContact CB-CG1 4.21Å; L59-V86 HydrophobicContact CD1-CG1 3.98Å; L59-V86 HydrophobicContact CD2-CG1 3.84Å; L59-V86 HydrophobicContact CG-CG1 4.23Å; I72-V86 HydrophobicContact CB-CG1 4.49Å; I72-V86 HydrophobicContact CB-CG2 4.14Å; I72-V86 HydrophobicContact CD1-CG2 4.44Å; I72-V86 HydrophobicContact CG2-CG1 4.09Å; I72-V86 HydrophobicContact CG2-CG2 4.03Å; I83-V86 HydrophobicContact CB-CB 4.01Å; I83-V86 HydrophobicContact CB-CG2 4.09Å; I83-V86 HydrophobicContact CG2-CB 4.24Å; I83-V86 HydrophobicContact CG2-CG2 3.76Å; I83-V86 PolarHBondContact O-N 2.92Å; P84-V86 VanDerWaalsContact C-N 3.26Å; P84-V86 PolarHBondContact O-N 3.22Å; V86-T88 HydrophobicContact CG1-CG2 4.1Å
87V96.1Very high94.6Very high46 Ų4670.1 Ų70.128%0.27938%0.38SS..EExtended strand (participates in β ladder)trans-81.8138.3168.4-179.10000108.9L71 I72 I73 G74 L89 E105L71-V87 HydrophobicContact CD1-CG2 4.38Å; I72-V87 PolarHBondContact O-N 2.87Å; I73-V87 CarbonylContact C-O 3.45Å; I73-V87 WeakPolarHBondContact CA-O 3.5Å; I73-V87 HydrophobicContact CG1-CB 4.27Å; G74-V87 PolarHBondContact N-O 2.91Å; V87-L89 HydrophobicContact CG1-CD2 4.4Å; V87-E105 HydrophobicContact CG1-CG 4.32Å
88T96.8Very high94.6Very high46 Ų4664.9 Ų64.928%0.28235%0.353SS..EExtended strand (participates in β ladder)trans-129.9119.4177.756.40000111.4L59 G74 I80 V86L59-T88 HydrophobicContact CD1-CG2 4.11Å; G74-T88 CarbonylContact O-C 3.53Å; G74-T88 WeakPolarHBondContact O-CA 3.46Å; I80-T88 HydrophobicContact CB-CG2 4.08Å; I80-T88 HydrophobicContact CG2-CG2 4.01Å; V86-T88 HydrophobicContact CG1-CG2 4.1Å
89L96.2Very high94.6Very high29 Ų2963.2 Ų63.215%0.15234%0.337CS..EExtended strand (participates in β ladder)trans-103.8132179.2-58.1176.3000109.8I73 G74 V75 D76 V87 E91 A101 L102 E105I73-L89 HydrophobicContact CG2-CD1 3.92Å; I73-L89 HydrophobicContact CG2-CG 4.21Å; G74-L89 PolarHBondContact O-N 3.49Å; V75-L89 HydrophobicContact CG2-CB 4.43Å; V75-L89 HydrophobicContact CG2-CD1 4.4Å; D76-L89 PolarHBondContact N-O 3.34Å; V87-L89 HydrophobicContact CG1-CD2 4.4Å; L89-E91 HydrophobicContact CB-CG 4.39Å; L89-A101 HydrophobicContact CD1-CB 3.98Å; L89-L102 HydrophobicContact CD1-CD2 4.33Å; L89-E105 HydrophobicContact CD1-CG 4.25Å; L89-E105 HydrophobicContact CD2-CG 4.18Å
90Q96.6Very high94.6Very high114 Ų11464.6 Ų64.653%0.53334%0.336SS..EExtended strand (participates in β ladder)trans-98.590.1172.6-168-169.4-17.500109.7D76 L77D76-Q90 CarbonylContact O-C 3.57Å; D76-Q90 VanDerWaalsContact O-CA 3.26Å; D76-Q90 WeakPolarHBondContact O-CA 3.47Å; L77-Q90 WeakPolarHBondContact O-CG 3.48Å; L77-Q90 PolarHBondContact O-NE2 2.93Å
91E95.6Very high94.6Very high40 Ų4064.6 Ų64.619%0.18734%0.339CS..  trans-147.3155.2-173.1-62.3-65.5173.500111.8V75 D76 L89 K97 C98V75-E91 HydrophobicContact CG1-CB 4.31Å; D76-E91 CarbonylContact C-O 3.59Å; D76-E91 PolarHBondContact O-N 3.22Å; L89-E91 HydrophobicContact CB-CG 4.39Å; E91-K97 IonicContact OE1-NZ 2.64Å; E91-K97 PolarHBondContact OE1-NZ 3.32Å; E91-K97 IonicContact OE2-NZ 2.6Å; E91-K97 PolarHBondContact OE2-NZ 3.22Å; E91-C98 HydrophobicContact CB-CB 3.86Å
92D94.4Very high94.6Very high58 Ų5856.8 Ų56.831%0.3131%0.305SS..  trans-84.9119.3171.8-172.3-37.4000110.9L77 T94 T95 C98L77-D92 HydrophobicContact CD2-CB 3.53Å; D92-T94 VanDerWaalsContact CG-OG1 3.26Å; D92-T94 PolarHBondContact O-N 3.19Å; D92-T94 WeakPolarHBondContact OD1-CB 3.45Å; D92-T94 WeakPolarHBondContact OD1-CG2 3.24Å; D92-T94 PolarHBondContact OD1-N 2.93Å; D92-T94 PolarHBondContact OD1-OG1 3.33Å; D92-T95 HydrophobicContact CB-CG2 3.85Å; D92-T95 PolarHBondContact O-N 3.47Å; D92-T95 PolarHBondContact O-OG1 2.95Å; D92-C98 WeakPolarHBondContact O-CB 3.14Å
93I93.8Very high94.7Very high9 Ų956 Ų565%0.04629%0.287CS..THydrogen-bonded Turntrans-59.5-16.4-178.170.4165.2000114.6L51 V75 L136 A140 L143L51-I93 HydrophobicContact CD2-CG2 4.3Å; V75-I93 HydrophobicContact CG1-CG2 3.91Å; I93-L136 HydrophobicContact CD1-CD1 3.85Å; I93-L136 HydrophobicContact CG1-CD1 4.46Å; I93-A140 HydrophobicContact CD1-CB 4.44Å; I93-L143 HydrophobicContact CB-CD1 3.71Å; I93-L143 HydrophobicContact CG2-CD1 4.22Å
94T92Very high94.7Very high62 Ų6262.1 Ų62.138%0.3831%0.314SS..THydrogen-bonded Turntrans-80.9-18.217765.80000113.3D92 M139D92-T94 VanDerWaalsContact CG-OG1 3.26Å; D92-T94 PolarHBondContact O-N 3.19Å; D92-T94 WeakPolarHBondContact OD1-CB 3.45Å; D92-T94 WeakPolarHBondContact OD1-CG2 3.24Å; D92-T94 PolarHBondContact OD1-N 2.93Å; D92-T94 PolarHBondContact OD1-OG1 3.33Å; T94-M139 HydrophobicContact CG2-CB 4.45Å; T94-M139 HydrophobicContact CG2-CE 4.01Å; T94-M139 HydrophobicContact CG2-CG 4.24Å
95T93.4Very high94.8Very high49 Ų4959.9 Ų59.930%0.30129%0.294SS..SBendtrans-85.6159.6-171.165.30000114D92 K97 C98 R99D92-T95 HydrophobicContact CB-CG2 3.85Å; D92-T95 PolarHBondContact O-N 3.47Å; D92-T95 PolarHBondContact O-OG1 2.95Å; T95-K97 VanDerWaalsContact C-N 3.33Å; T95-C98 WeakPolarHBondContact OG1-CB 3.4Å; T95-C98 PolarHBondContact OG1-N 3.03Å; T95-C98 VanDerWaalsContact OG1-N 3.13Å; T95-R99 PolarHBondContact O-NE 3.2Å
96E93.1Very high94.9Very high76 Ų7654.9 Ų54.936%0.35527%0.267SS..Hα-helixtrans-70.1-30.7165.8-168.568.2-126.200111.7C98 R99 Q100 R103E96-C98 VanDerWaalsContact C-N 3.35Å; E96-C98 PolarHBondContact O-N 3.31Å; E96-R99 VanDerWaalsContact CD-NH1 3.35Å; E96-R99 CarbonylContact O-C 3.58Å; E96-R99 WeakPolarHBondContact O-CA 3.39Å; E96-R99 WeakPolarHBondContact O-CB 3.49Å; E96-R99 PolarHBondContact O-N 3.34Å; E96-R99 IonicContact OE1-CZ 3.83Å; E96-R99 IonicContact OE1-NH1 2.57Å; E96-R99 PolarHBondContact OE1-NH1 2.68Å; E96-R99 IonicContact OE2-CZ 2.62Å; E96-R99 IonicContact OE2-NH1 2.59Å; E96-R99 PolarHBondContact OE2-NH1 3.08Å; E96-R99 IonicContact OE2-NH2 3.85Å; E96-R99 PolarHBondContact OE2-NH2 3.41Å; E96-Q100 HydrophobicContact CG-CG 4.28Å; E96-Q100 WeakPolarHBondContact O-CG 3.44Å; E96-Q100 PolarHBondContact O-N 3.2Å; E96-R103 IonicContact OE1-CZ 2.7Å; E96-R103 IonicContact OE1-NH1 3.63Å; E96-R103 PolarHBondContact OE1-NH1 3.33Å; E96-R103 IonicContact OE1-NH2 2.72Å; E96-R103 PolarHBondContact OE1-NH2 3.48Å
97K94.6Very high94.5Very high120 Ų12061.7 Ų61.752%0.52230%0.298SS..Hα-helixtrans-59.1-43.8177.9-176.4169.6175.3-76.70112E91 T95 R99 Q100 A101E91-K97 IonicContact OE1-NZ 2.64Å; E91-K97 PolarHBondContact OE1-NZ 3.32Å; E91-K97 IonicContact OE2-NZ 2.6Å; E91-K97 PolarHBondContact OE2-NZ 3.22Å; T95-K97 VanDerWaalsContact C-N 3.33Å; K97-R99 PolarHBondContact O-N 2.84Å; K97-Q100 PolarHBondContact O-N 3.28Å; K97-A101 WeakPolarHBondContact O-CB 3.36Å; K97-A101 PolarHBondContact O-N 3.33Å
98C94.6Very high94.3Very high0 Ų065.7 Ų65.70%032%0.323CS..Hα-helixtrans-59.5-43.8171.8-179.90000112.4E91 D92 T95 E96 A101 L102E91-C98 HydrophobicContact CB-CB 3.86Å; D92-C98 WeakPolarHBondContact O-CB 3.14Å; T95-C98 WeakPolarHBondContact OG1-CB 3.4Å; T95-C98 PolarHBondContact OG1-N 3.03Å; T95-C98 VanDerWaalsContact OG1-N 3.13Å; E96-C98 VanDerWaalsContact C-N 3.35Å; E96-C98 PolarHBondContact O-N 3.31Å; C98-A101 PolarHBondContact O-N 2.83Å; C98-L102 PolarHBondContact O-N 3.38Å
99R94.2Very high94.1Very high51 Ų5168.6 Ų68.619%0.19233%0.329CS..Hα-helixtrans-65.8-40.4178.1-73.5-179.8-82.3129.48.9112.4T95 E96 K97 L102 R103 L143 E146 F147T95-R99 PolarHBondContact O-NE 3.2Å; E96-R99 VanDerWaalsContact CD-NH1 3.35Å; E96-R99 CarbonylContact O-C 3.58Å; E96-R99 WeakPolarHBondContact O-CA 3.39Å; E96-R99 WeakPolarHBondContact O-CB 3.49Å; E96-R99 PolarHBondContact O-N 3.34Å; E96-R99 IonicContact OE1-CZ 3.83Å; E96-R99 IonicContact OE1-NH1 2.57Å; E96-R99 PolarHBondContact OE1-NH1 2.68Å; E96-R99 IonicContact OE2-CZ 2.62Å; E96-R99 IonicContact OE2-NH1 2.59Å; E96-R99 PolarHBondContact OE2-NH1 3.08Å; E96-R99 IonicContact OE2-NH2 3.85Å; E96-R99 PolarHBondContact OE2-NH2 3.41Å; K97-R99 PolarHBondContact O-N 2.84Å; R99-L102 PolarHBondContact O-N 2.82Å; R99-R103 VanDerWaalsContact O-CG 3.29Å; R99-R103 WeakPolarHBondContact O-CG 3.48Å; R99-R103 PolarHBondContact O-N 3.39Å; R99-L143 HydrophobicContact CG-CD2 3.26Å; R99-E146 VanDerWaalsContact CD-OE2 3.3Å; R99-E146 WeakPolarHBondContact CD-OE2 3.47Å; R99-F147 HydrophobicContact CB-CZ 4.44Å; R99-F147 HydrophobicContact CG-CE2 4.19Å
100Q94.9Very high94Very high116 Ų11672.2 Ų72.254%0.54234%0.343SS..Hα-helixtrans-63.8-41.7173.2-69.7173.7-1.600112E96 K97 R103 K104E96-Q100 HydrophobicContact CG-CG 4.28Å; E96-Q100 WeakPolarHBondContact O-CG 3.44Å; E96-Q100 PolarHBondContact O-N 3.2Å; K97-Q100 PolarHBondContact O-N 3.28Å; Q100-R103 PolarHBondContact O-N 3.26Å; Q100-K104 WeakPolarHBondContact O-CB 3.38Å; Q100-K104 PolarHBondContact O-N 3.2Å
101A95.6Very high94Very high18 Ų1866.8 Ų66.815%0.14932%0.318CS..Hα-helixtrans-63.4-44.7174.400000112L89 K97 C98 K104 E105L89-A101 HydrophobicContact CD1-CB 3.98Å; K97-A101 WeakPolarHBondContact O-CB 3.36Å; K97-A101 PolarHBondContact O-N 3.33Å; C98-A101 PolarHBondContact O-N 2.83Å; A101-K104 WeakPolarHBondContact O-CB 3.42Å; A101-K104 PolarHBondContact O-N 3.29Å; A101-E105 WeakPolarHBondContact O-CG 3.38Å; A101-E105 PolarHBondContact O-N 3.47Å
102L95.8Very high94.1Very high1 Ų167.2 Ų67.21%0.00532%0.321CS..Hα-helixtrans-62.2-42.3175-78.2170.5000112.6V49 I73 V75 L89 C98 R99 K104 E105 L106 L143 F147V49-L102 HydrophobicContact CG1-CD2 3.92Å; V49-L102 HydrophobicContact CG2-CD2 4.33Å; I73-L102 HydrophobicContact CG2-CD2 3.99Å; V75-L102 HydrophobicContact CG2-CD1 4.44Å; V75-L102 HydrophobicContact CG2-CD2 3.89Å; V75-L102 HydrophobicContact CG2-CG 4.34Å; L89-L102 HydrophobicContact CD1-CD2 4.33Å; C98-L102 PolarHBondContact O-N 3.38Å; R99-L102 PolarHBondContact O-N 2.82Å; L102-K104 VanDerWaalsContact C-N 3.3Å; L102-K104 PolarHBondContact O-N 3.35Å; L102-E105 PolarHBondContact O-N 3.23Å; L102-L106 VanDerWaalsContact O-CB 3.3Å; L102-L106 WeakPolarHBondContact O-CB 3.49Å; L102-L106 WeakPolarHBondContact O-CG 3.34Å; L102-L106 PolarHBondContact O-N 3.28Å; L102-L143 HydrophobicContact CD1-CD1 4.42Å; L102-F147 HydrophobicContact CB-CD1 4.45Å; L102-F147 HydrophobicContact CB-CD2 4.48Å; L102-F147 HydrophobicContact CB-CE1 3.85Å; L102-F147 HydrophobicContact CB-CE2 3.91Å; L102-F147 HydrophobicContact CB-CZ 3.56Å; L102-F147 HydrophobicContact CD1-CD2 4.16Å; L102-F147 HydrophobicContact CD1-CE2 3.89Å; L102-F147 HydrophobicContact CD1-CZ 4.41Å
103R95.1Very high94.3Very high95 Ų9564.6 Ų64.636%0.35831%0.307SS..Hα-helixtrans-59.9-39.2172.8-70.5173.8-157.1132.15.7111.7E96 R99 Q100 Q107 E146 F147E96-R103 IonicContact OE1-CZ 2.7Å; E96-R103 IonicContact OE1-NH1 3.63Å; E96-R103 PolarHBondContact OE1-NH1 3.33Å; E96-R103 IonicContact OE1-NH2 2.72Å; E96-R103 PolarHBondContact OE1-NH2 3.48Å; R99-R103 VanDerWaalsContact O-CG 3.29Å; R99-R103 WeakPolarHBondContact O-CG 3.48Å; R99-R103 PolarHBondContact O-N 3.39Å; Q100-R103 PolarHBondContact O-N 3.26Å; R103-Q107 WeakPolarHBondContact O-CA 3.37Å; R103-Q107 PolarHBondContact O-N 3.32Å; R103-E146 IonicContact CZ-OE1 3.44Å; R103-E146 IonicContact NE-OE1 2.9Å; R103-E146 PolarHBondContact NE-OE1 2.75Å; R103-E146 IonicContact NH2-OE1 2.8Å; R103-E146 PolarHBondContact NH2-OE1 2.93Å; R103-E146 IonicContact NH2-OE2 2.68Å; R103-E146 PolarHBondContact NH2-OE2 3.35Å; R103-F147 HydrophobicContact CB-CE1 4.43Å; R103-F147 HydrophobicContact CG-CE1 3.62Å; R103-F147 HydrophobicContact CG-CZ 3.82Å
104K95.3Very high94.5Very high145 Ų14564.3 Ų64.363%0.6331%0.306SS*.Hα-helixtrans-67.1-44.8178.9-173.3-163.2167.2-132.90112.5Q100 A101 L102 Q107Q100-K104 WeakPolarHBondContact O-CB 3.38Å; Q100-K104 PolarHBondContact O-N 3.2Å; A101-K104 WeakPolarHBondContact O-CB 3.42Å; A101-K104 PolarHBondContact O-N 3.29Å; L102-K104 VanDerWaalsContact C-N 3.3Å; L102-K104 PolarHBondContact O-N 3.35Å; K104-Q107 WeakPolarHBondContact O-CG 3.49Å
105E94.6Very high94.8Very high55 Ų5561.3 Ų61.326%0.25729%0.288SS..Hα-helixtrans-78.6-31.8-177.4-59.2-55.1129.900112.7I73 V87 L89 A101 L102I73-E105 HydrophobicContact CD1-CB 3.79Å; I73-E105 HydrophobicContact CG1-CB 4.49Å; V87-E105 HydrophobicContact CG1-CG 4.32Å; L89-E105 HydrophobicContact CD1-CG 4.25Å; L89-E105 HydrophobicContact CD2-CG 4.18Å; A101-E105 WeakPolarHBondContact O-CG 3.38Å; A101-E105 PolarHBondContact O-N 3.47Å; L102-E105 PolarHBondContact O-N 3.23Å
106L92.8Very high95Very high4 Ų459 Ų592%0.02127%0.273CS..Hα-helixtrans-80-23.6173.2-71.1168.5000113.5V49 L71 I73 L102 T108 W109 F147V49-L106 HydrophobicContact CG2-CD1 4.26Å; L71-L106 HydrophobicContact CD2-CD2 4.05Å; I73-L106 HydrophobicContact CD1-CD2 3.68Å; I73-L106 HydrophobicContact CD1-CG 3.71Å; L102-L106 VanDerWaalsContact O-CB 3.3Å; L102-L106 WeakPolarHBondContact O-CB 3.49Å; L102-L106 WeakPolarHBondContact O-CG 3.34Å; L102-L106 PolarHBondContact O-N 3.28Å; L106-T108 PolarHBondContact O-N 3.48Å; L106-T108 VanDerWaalsContact O-N 3.09Å; L106-W109 WeakPolarHBondContact O-CB 3.35Å; L106-W109 PolarHBondContact O-N 3.35Å; L106-F147 HydrophobicContact CD1-CB 4.13Å; L106-F147 HydrophobicContact CD1-CD1 3.45Å; L106-F147 VanDerWaalsContact CD1-CD1 3.45Å; L106-F147 HydrophobicContact CD1-CE1 4.17Å; L106-F147 HydrophobicContact CD1-CG 4.02Å
107Q90.1Very high95Very high162 Ų16256.6 Ų56.676%0.75726%0.263SS*.THydrogen-bonded Turntrans54.1-108.9-178.2-55.2179.97.100112.4R103 K104R103-Q107 WeakPolarHBondContact O-CA 3.37Å; R103-Q107 PolarHBondContact O-N 3.32Å; K104-Q107 WeakPolarHBondContact O-CG 3.49Å
108T90.6Very high94.9Very high130 Ų13051 Ų5180%0.79824%0.24SC*.THydrogen-bonded Turntrans-93.1-9.1178.252.90000113.6L106L106-T108 PolarHBondContact O-N 3.48Å; L106-T108 VanDerWaalsContact O-N 3.09Å
109W92.4Very high94.7Very high107 Ų10753.1 Ų53.141%0.40526%0.257SS..  trans-84.9156.6-175.5-69.340.6000111.6R46 A47 L106R46-W109 HydrophobicContact CB-CZ3 3.99Å; A47-W109 HydrophobicContact CB-CE3 4.25Å; L106-W109 WeakPolarHBondContact O-CB 3.35Å; L106-W109 PolarHBondContact O-N 3.35Å
110K95Very high94.4Very high104 Ų10452.5 Ų52.545%0.45226%0.26SS..  trans-111.7152.8166.2-67.3-66.7-174.8179.70109A47 E146 F147A47-K110 WeakPolarHBondContact CB-O 3.35Å; K110-E146 PolarHBondContact NZ-O 2.76Å; K110-F147 CarbonylContact C-O 3.58Å; K110-F147 WeakPolarHBondContact CA-O 3.46Å; K110-F147 WeakPolarHBondContact CB-O 3.33Å; K110-F147 WeakPolarHBondContact CD-O 3.43Å
111A97.1Very high94Very high0 Ų054.7 Ų54.70%028%0.275CS..EExtended strand (participates in β ladder)trans-73.7137.2176.100000110.8V49 V114 F147 L148 T149V49-A111 HydrophobicContact CG2-CB 4.08Å; A111-V114 HydrophobicContact CB-CG2 3.99Å; A111-F147 PolarHBondContact N-O 2.88Å; A111-L148 CarbonylContact O-C 3.59Å; A111-L148 WeakPolarHBondContact O-CA 3.47Å; A111-L148 WeakPolarHBondContact O-CD1 3.38Å; A111-T149 WeakPolarHBondContact O-CG2 3.35Å; A111-T149 PolarHBondContact O-N 3.47Å
112D97.4Very high93.4Very high49 Ų4958.1 Ų58.126%0.26229%0.294SS..EExtended strand (participates in β ladder)trans-78.4-31.8169.5-56.1-63.3000111A45 R46 A47 G152 T153A45-D112 HydrophobicContact CB-CB 3.97Å; R46-D112 WeakPolarHBondContact CA-OD2 3.45Å; R46-D112 PolarHBondContact N-OD2 3.31Å; A47-D112 PolarHBondContact N-OD2 3.25Å; A47-D112 PolarHBondContact O-N 3.44Å; D112-G152 VanDerWaalsContact O-CA 3.32Å; D112-G152 WeakPolarHBondContact O-CA 3.48Å; D112-T153 PolarHBondContact O-N 2.83Å
113V97.9Very high92.6Very high3 Ų361.4 Ų61.42%0.01833%0.328CS..EExtended strand (participates in β ladder)trans-134.8132.5-177.11800000110.5F41 A45 A47 L48 V49 L115 T153F41-V113 HydrophobicContact CB-CG2 4.34Å; F41-V113 HydrophobicContact CD2-CG1 4.01Å; F41-V113 HydrophobicContact CD2-CG2 4.26Å; A45-V113 HydrophobicContact CB-CG2 3.81Å; A47-V113 PolarHBondContact O-N 3.47Å; L48-V113 WeakPolarHBondContact CA-O 3.41Å; L48-V113 HydrophobicContact CD1-CB 3.86Å; L48-V113 HydrophobicContact CD1-CG1 3.72Å; L48-V113 HydrophobicContact CG-CB 4.11Å; L48-V113 HydrophobicContact CG-CG1 4.2Å; V49-V113 PolarHBondContact N-O 3.28Å; V113-L115 HydrophobicContact CG1-CD2 3.55Å; V113-L115 HydrophobicContact CG1-CG 3.95Å; V113-T153 VanDerWaalsContact CA-O 3.29Å; V113-T153 WeakPolarHBondContact CA-O 3.44Å
114V98.3Very high91.8Very high3 Ų361.6 Ų61.62%0.01834%0.34CS..EExtended strand (participates in β ladder)trans-119.3127.9167.1177.90000109.3V49 L51 A111 A144 L148 T153 F154 I155V49-V114 HydrophobicContact CB-CG2 4.35Å; V49-V114 CarbonylContact O-C 3.59Å; V49-V114 WeakPolarHBondContact O-CA 3.25Å; L51-V114 HydrophobicContact CD1-CG1 3.83Å; L51-V114 HydrophobicContact CG-CG1 4.23Å; A111-V114 HydrophobicContact CB-CG2 3.99Å; V114-A144 HydrophobicContact CB-CB 4.17Å; V114-A144 HydrophobicContact CG1-CB 3.98Å; V114-A144 HydrophobicContact CG2-CB 4.4Å; V114-L148 HydrophobicContact CB-CD1 4.33Å; V114-L148 HydrophobicContact CG2-CB 4.33Å; V114-L148 HydrophobicContact CG2-CD1 3.79Å; V114-T153 PolarHBondContact N-O 3.41Å; V114-F154 HydrophobicContact CB-CD2 4Å; V114-F154 HydrophobicContact CG1-CD2 3.9Å; V114-F154 HydrophobicContact CG1-CE2 4.09Å; V114-F154 CarbonylContact O-C 3.59Å; V114-F154 WeakPolarHBondContact O-CA 3.45Å; V114-F154 WeakPolarHBondContact O-CD2 3.39Å; V114-I155 PolarHBondContact O-N 2.82Å
115L98.1Very high91.5Very high0 Ų058.5 Ų58.50%033%0.331CS..EExtended strand (participates in β ladder)trans-113.6154.5-176.7-59.4-174.2000112.2L32 F41 L48 V49 D50 L51 W58 V113 I155L32-L115 HydrophobicContact CD1-CD1 3.85Å; L32-L115 HydrophobicContact CD1-CD2 4.06Å; L32-L115 HydrophobicContact CD2-CD1 3.61Å; L32-L115 HydrophobicContact CG-CD1 4.41Å; F41-L115 HydrophobicContact CE2-CD2 4.13Å; L48-L115 HydrophobicContact CD1-CD1 3.93Å; L48-L115 HydrophobicContact CD1-CG 4.16Å; L48-L115 HydrophobicContact CD2-CD1 4.05Å; L48-L115 HydrophobicContact CD2-CG 4.27Å; L48-L115 HydrophobicContact CG-CD1 4.47Å; L48-L115 HydrophobicContact CG-CG 4.43Å; V49-L115 PolarHBondContact O-N 2.89Å; D50-L115 HydrophobicContact CB-CB 4.48Å; D50-L115 WeakPolarHBondContact OD1-CB 3.18Å; L51-L115 WeakPolarHBondContact CB-O 3.49Å; L51-L115 PolarHBondContact N-O 2.9Å; W58-L115 HydrophobicContact CE3-CB 3.86Å; W58-L115 HydrophobicContact CE3-CD1 3.98Å; W58-L115 HydrophobicContact CE3-CG 4.45Å; W58-L115 HydrophobicContact CZ3-CB 3.95Å; V113-L115 HydrophobicContact CG1-CD2 3.55Å; V113-L115 HydrophobicContact CG1-CG 3.95Å; L115-I155 CarbonylContact C-O 3.54Å; L115-I155 WeakPolarHBondContact CA-O 3.41Å; L115-I155 HydrophobicContact CD2-CB 3.79Å; L115-I155 HydrophobicContact CD2-CD1 4.08Å; L115-I155 HydrophobicContact CD2-CG1 4.16Å
116N96.9Very high91.1Very high0 Ų061.6 Ų61.60%034%0.34CS..EExtended strand (participates in β ladder)trans-157106.6175.1178.819.1000112.7L51 G118 A140 I155 T156 K157L51-N116 HydrophobicContact CB-CB 4.5Å; L51-N116 WeakPolarHBondContact O-CA 3.35Å; N116-G118 VanDerWaalsContact C-N 3.33Å; N116-G118 VanDerWaalsContact OD1-CA 3.24Å; N116-G118 WeakPolarHBondContact OD1-CA 3.27Å; N116-G118 PolarHBondContact OD1-N 3.43Å; N116-A140 HydrophobicContact CB-CB 4.42Å; N116-A140 VanDerWaalsContact ND2-CB 3.33Å; N116-A140 WeakPolarHBondContact ND2-CB 3.4Å; N116-I155 PolarHBondContact N-O 3.39Å; N116-T156 PolarHBondContact ND2-OG1 3.27Å; N116-T156 CarbonylContact O-C 3.58Å; N116-T156 WeakPolarHBondContact O-CA 3.19Å; N116-K157 PolarHBondContact O-N 3.2Å
117D94.6Very high91Very high25 Ų2568.2 Ų68.213%0.13437%0.371CS..  trans-94.513.5166.6-163.324.3000112.1S28 K31 W58 K157 F194S28-D117 WeakPolarHBondContact CB-OD2 3.48Å; S28-D117 PolarHBondContact OG-OD2 2.96Å; K31-D117 VanDerWaalsContact NZ-CG 3.34Å; K31-D117 IonicContact NZ-OD1 3.15Å; K31-D117 PolarHBondContact NZ-OD1 3.46Å; K31-D117 IonicContact NZ-OD2 2.97Å; K31-D117 PolarHBondContact NZ-OD2 3.02Å; W58-D117 HydrophobicContact CD2-CB 4.06Å; W58-D117 HydrophobicContact CE3-CB 4.11Å; W58-D117 HydrophobicContact CH2-CB 3.88Å; W58-D117 HydrophobicContact CZ2-CB 3.78Å; W58-D117 HydrophobicContact CZ3-CB 4.03Å; D117-K157 WeakPolarHBondContact O-CD 3.26Å; D117-K157 PolarHBondContact O-NZ 2.85Å; D117-K157 WeakPolarHBondContact OD1-CD 3.32Å; D117-K157 IonicContact OD1-NZ 3.39Å; D117-K157 PolarHBondContact OD1-NZ 3.27Å; D117-F194 WeakPolarHBondContact OD1-CE1 3.43Å; D117-F194 VanDerWaalsContact OD1-CZ 3.3Å; D117-F194 WeakPolarHBondContact OD1-CZ 3.44Å
118G91.1Very high91Very high3 Ų365.6 Ų65.63%0.03136%0.358CS..  trans-55133.8-172.900000114.4N116 Q133N116-G118 VanDerWaalsContact C-N 3.33Å; N116-G118 VanDerWaalsContact OD1-CA 3.24Å; N116-G118 WeakPolarHBondContact OD1-CA 3.27Å; N116-G118 PolarHBondContact OD1-N 3.43Å; G118-Q133 PolarHBondContact O-NE2 3.36Å; G118-Q133 VanDerWaalsContact O-NE2 3.14Å
119A90.1Very high91.1Very high45 Ų4559.9 Ų59.937%0.37232%0.323SS..  trans-150.5141.9175.200000110.5F159A119-F159 HydrophobicContact CB-CZ 4.01Å
120P89.2Confident91.1Very high38 Ų3854.9 Ų54.925%0.24730%0.304CS..  trans-69.4171.3174.130.2-35.1000111.8V122 D129 Q133P120-V122 VanDerWaalsContact C-N 3.27Å; P120-V122 PolarHBondContact O-N 3.43Å; P120-D129 VanDerWaalsContact CG-O 3.26Å; P120-D129 WeakPolarHBondContact CG-O 3.37Å; P120-Q133 HydrophobicContact CG-CB 4.12Å
121N86.9Confident91Very high162 Ų16253.9 Ų53.987%0.86630%0.3SS*.  trans-68.979.8174.8-78.8-49.6000111.7
122V82.8Confident90.9Very high89 Ų8955.7 Ų55.754%0.53931%0.313SS..  trans-57.3135.5-177.3-64.90000113.1P120 D129 F159P120-V122 VanDerWaalsContact C-N 3.27Å; P120-V122 PolarHBondContact O-N 3.43Å; V122-D129 WeakPolarHBondContact CA-OD2 3.49Å; V122-D129 HydrophobicContact CG1-CB 4.39Å; V122-F159 HydrophobicContact CG1-CE2 3.79Å; V122-F159 HydrophobicContact CG1-CZ 3.91Å
123G79Confident90.7Very high71 Ų7153.4 Ų53.473%0.73230%0.3SS*.  trans141.411.4-178.600000115.3D129G123-D129 PolarHBondContact N-OD2 3.18Å
124T78Confident90.6Very high99 Ų9953.3 Ų53.361%0.60730%0.3SS*.SBendtrans-96.5-119.1175.477.20000110.3D129T124-D129 PolarHBondContact N-OD2 3.37Å; T124-D129 PolarHBondContact OG1-OD1 2.85Å
125N88Confident90.4Very high80 Ų8056.7 Ų56.743%0.42832%0.315SS..  trans-91.7133.9161.3177.22000108.5Q127 H128 D129N125-Q127 PolarHBondContact ND2-OE1 2.84Å; N125-Q127 PolarHBondContact O-N 3.1Å; N125-Q127 PolarHBondContact OD1-N 3.27Å; N125-H128 HydrophobicContact CB-CB 4.24Å; N125-H128 PolarHBondContact O-N 2.96Å; N125-D129 PolarHBondContact O-N 3.13Å
126W87.9Confident90.3Very high120 Ų12058.5 Ų58.546%0.45533%0.325SS..Hα-helixtrans-52.2-37.2174.7173.2-110.9000113.3A130 F159 A191W126-A130 HydrophobicContact CZ2-CB 4.31Å; W126-A130 WeakPolarHBondContact O-CB 3.31Å; W126-A130 PolarHBondContact O-N 3.47Å; W126-F159 HydrophobicContact CH2-CB 3.89Å; W126-F159 AromaticContact CH2-CD2 3.74Å; W126-F159 HydrophobicContact CH2-CD2 3.74Å; W126-F159 HydrophobicContact CH2-CE2 4.42Å; W126-F159 AromaticContact CH2-CG 3.86Å; W126-F159 HydrophobicContact CH2-CG 3.86Å; W126-F159 HydrophobicContact CZ2-CB 4.41Å; W126-F159 AromaticContact CZ3-CD2 3.96Å; W126-F159 HydrophobicContact CZ3-CD2 3.96Å; W126-F159 HydrophobicContact CZ3-CE2 4.23Å; W126-F159 HydrophobicContact CZ3-CG 4.47Å; W126-A191 HydrophobicContact CH2-CB 3.45Å; W126-A191 VanDerWaalsContact CH2-CB 3.45Å; W126-A191 HydrophobicContact CZ2-CB 3.69Å; W126-A191 HydrophobicContact CZ3-CB 4.41Å
127Q89.8Confident90.2Very high142 Ų14258.5 Ų58.566%0.66433%0.325SS*.Hα-helixtrans-64.9-43.4177.5-63167.5-62.300111.8N125 A130 F131N125-Q127 PolarHBondContact ND2-OE1 2.84Å; N125-Q127 PolarHBondContact O-N 3.1Å; N125-Q127 PolarHBondContact OD1-N 3.27Å; Q127-A130 PolarHBondContact O-N 3.16Å; Q127-F131 WeakPolarHBondContact O-CB 3.2Å; Q127-F131 PolarHBondContact O-N 3.26Å
128H90.4Very high90.2Very high108 Ų10857.3 Ų57.350%0.532%0.319SS..Hα-helixtrans-69-48.8177.8-179.5-86.2000110.9N125 A130 F131 S132N125-H128 HydrophobicContact CB-CB 4.24Å; N125-H128 PolarHBondContact O-N 2.96Å; H128-A130 PolarHBondContact O-N 2.95Å; H128-F131 PolarHBondContact O-N 2.83Å; H128-S132 PolarHBondContact CE1-OG 2.69Å; H128-S132 WeakPolarHBondContact O-CB 3.38Å; H128-S132 PolarHBondContact O-N 2.72Å; H128-S132 PolarHBondContact O-OG 2.87Å; H128-S132 VanDerWaalsContact O-OG 3.13Å
129D92.3Very high90.4Very high9 Ų958.7 Ų58.75%0.04833%0.325CS..Hα-helixtrans-57.7-34.1176.7-67.9-9.9000111.9P120 V122 G123 T124 N125 Q133P120-D129 VanDerWaalsContact CG-O 3.26Å; P120-D129 WeakPolarHBondContact CG-O 3.37Å; V122-D129 WeakPolarHBondContact CA-OD2 3.49Å; V122-D129 HydrophobicContact CG1-CB 4.39Å; G123-D129 PolarHBondContact N-OD2 3.18Å; T124-D129 PolarHBondContact N-OD2 3.37Å; T124-D129 PolarHBondContact OG1-OD1 2.85Å; N125-D129 PolarHBondContact O-N 3.13Å; D129-Q133 WeakPolarHBondContact O-CB 3.48Å; D129-Q133 PolarHBondContact O-N 3.42Å
130A92.6Very high90.7Very high2 Ų256.5 Ų56.52%0.01731%0.307CS..Hα-helixtrans-73.3-47.217400000113W126 Q127 H128 Q133 A134W126-A130 HydrophobicContact CZ2-CB 4.31Å; W126-A130 WeakPolarHBondContact O-CB 3.31Å; W126-A130 PolarHBondContact O-N 3.47Å; Q127-A130 PolarHBondContact O-N 3.16Å; H128-A130 PolarHBondContact O-N 2.95Å; A130-Q133 WeakPolarHBondContact O-CB 3.21Å; A130-Q133 PolarHBondContact O-N 3.47Å; A130-Q133 VanDerWaalsContact O-N 3.1Å; A130-A134 PolarHBondContact O-N 2.68Å
131F93.1Very high91.1Very high83 Ų8354.7 Ų54.736%0.36430%0.295SS..Hα-helixtrans-63.5-41.9178.2-178.6-96.5000112.1Q127 H128 Q133 A134 H135 P213 F217Q127-F131 WeakPolarHBondContact O-CB 3.2Å; Q127-F131 PolarHBondContact O-N 3.26Å; H128-F131 PolarHBondContact O-N 2.83Å; F131-Q133 PolarHBondContact O-N 2.79Å; F131-A134 PolarHBondContact O-N 2.93Å; F131-H135 WeakPolarHBondContact O-CB 3.38Å; F131-H135 PolarHBondContact O-N 3.26Å; F131-P213 HydrophobicContact CZ-CB 4.42Å; F131-F217 HydrophobicContact CD2-CD2 4.32Å; F131-F217 HydrophobicContact CE2-CB 4.28Å; F131-F217 AromaticContact CE2-CD2 3.57Å; F131-F217 HydrophobicContact CE2-CD2 3.57Å; F131-F217 HydrophobicContact CE2-CE2 4.27Å; F131-F217 HydrophobicContact CE2-CG 4.17Å; F131-F217 HydrophobicContact CZ-CD2 4.23Å
132S93.9Very high91.4Very high38 Ų3850.7 Ų50.727%0.26627%0.27SS..Hα-helixtrans-60.5-34.7172.5-59.70000112.2H128 L136H128-S132 PolarHBondContact CE1-OG 2.69Å; H128-S132 WeakPolarHBondContact O-CB 3.38Å; H128-S132 PolarHBondContact O-N 2.72Å; H128-S132 PolarHBondContact O-OG 2.87Å; H128-S132 VanDerWaalsContact O-OG 3.13Å; S132-L136 WeakPolarHBondContact O-CB 3.44Å; S132-L136 PolarHBondContact O-N 3.17Å
133Q94.8Very high92Very high1 Ų146.6 Ų46.61%0.00525%0.245CC..Hα-helixtrans-70.8-42.7175-157.6-80.9-35.100111.3G118 P120 D129 A130 F131 L136 T137 K157 F159G118-Q133 PolarHBondContact O-NE2 3.36Å; G118-Q133 VanDerWaalsContact O-NE2 3.14Å; P120-Q133 HydrophobicContact CG-CB 4.12Å; D129-Q133 WeakPolarHBondContact O-CB 3.48Å; D129-Q133 PolarHBondContact O-N 3.42Å; A130-Q133 WeakPolarHBondContact O-CB 3.21Å; A130-Q133 PolarHBondContact O-N 3.47Å; A130-Q133 VanDerWaalsContact O-N 3.1Å; F131-Q133 PolarHBondContact O-N 2.79Å; Q133-L136 WeakPolarHBondContact O-CB 3.18Å; Q133-L136 PolarHBondContact O-N 3.04Å; Q133-T137 WeakPolarHBondContact O-CG2 3.39Å; Q133-T137 PolarHBondContact O-N 2.86Å; Q133-K157 PolarHBondContact NE2-O 2.86Å; Q133-F159 HydrophobicContact CB-CD2 3.69Å; Q133-F159 HydrophobicContact CB-CE2 4.02Å; Q133-F159 HydrophobicContact CB-CG 4.29Å; Q133-F159 HydrophobicContact CG-CD1 4.4Å; Q133-F159 HydrophobicContact CG-CD2 3.75Å; Q133-F159 HydrophobicContact CG-CE2 3.89Å; Q133-F159 HydrophobicContact CG-CG 4.02Å; Q133-F159 HydrophobicContact CG-CZ 4.3Å
134A94.7Very high92.8Very high1 Ų143.2 Ų43.21%0.00821%0.21CC..Hα-helixtrans-61.7-45.1176.100000112.1A130 F131 L136 T137 L138 D163 L167 F217A130-A134 PolarHBondContact O-N 2.68Å; F131-A134 PolarHBondContact O-N 2.93Å; A134-L136 PolarHBondContact O-N 2.96Å; A134-T137 PolarHBondContact O-N 3.4Å; A134-T137 VanDerWaalsContact O-N 3.14Å; A134-T137 PolarHBondContact O-OG1 2.82Å; A134-L138 PolarHBondContact O-N 3.05Å; A134-L138 VanDerWaalsContact O-N 3.09Å; A134-D163 HydrophobicContact CB-CB 4.03Å; A134-L167 HydrophobicContact CB-CD1 3.83Å; A134-F217 HydrophobicContact CB-CE1 4.15Å; A134-F217 HydrophobicContact CB-CE2 4.17Å; A134-F217 HydrophobicContact CB-CZ 3.61Å
135H94.7Very high93.6Very high74 Ų7439.1 Ų39.134%0.34319%0.186SC..Hα-helixtrans-56.2-47.9172-174.9122.4000111.8F131 T137 L138 M139F131-H135 WeakPolarHBondContact O-CB 3.38Å; F131-H135 PolarHBondContact O-N 3.26Å; H135-T137 PolarHBondContact O-N 3.39Å; H135-L138 PolarHBondContact O-N 3.46Å; H135-L138 VanDerWaalsContact O-N 3.13Å; H135-M139 PolarHBondContact O-N 3.12Å; H135-M139 VanDerWaalsContact O-N 3.09Å
136L94.6Very high93.8Very high38 Ų3838 Ų3820%0.19918%0.178CC..Hα-helixtrans-59-36.7177.3-170.572.5000111.7I93 S132 Q133 A134 M139 A140I93-L136 HydrophobicContact CD1-CD1 3.85Å; I93-L136 HydrophobicContact CG1-CD1 4.46Å; S132-L136 WeakPolarHBondContact O-CB 3.44Å; S132-L136 PolarHBondContact O-N 3.17Å; Q133-L136 WeakPolarHBondContact O-CB 3.18Å; Q133-L136 PolarHBondContact O-N 3.04Å; A134-L136 PolarHBondContact O-N 2.96Å; L136-M139 PolarHBondContact O-N 3.1Å; L136-A140 WeakPolarHBondContact O-CB 3.26Å; L136-A140 PolarHBondContact O-N 3.37Å
137T96.1Very high94.2Very high0 Ų032.7 Ų32.70%016%0.158CC..Hα-helixtrans-71.5-31176.261.10000114Q133 A134 H135 L141 T156 K157 V158 L167Q133-T137 WeakPolarHBondContact O-CG2 3.39Å; Q133-T137 PolarHBondContact O-N 2.86Å; A134-T137 PolarHBondContact O-N 3.4Å; A134-T137 VanDerWaalsContact O-N 3.14Å; A134-T137 PolarHBondContact O-OG1 2.82Å; H135-T137 PolarHBondContact O-N 3.39Å; T137-L141 WeakPolarHBondContact O-CB 3.4Å; T137-L141 PolarHBondContact O-N 3.44Å; T137-T156 WeakPolarHBondContact CG2-OG1 3.16Å; T137-K157 WeakPolarHBondContact CG2-O 3.46Å; T137-V158 HydrophobicContact CG2-CG2 4.45Å; T137-L167 WeakPolarHBondContact OG1-CD1 3.48Å; T137-L167 WeakPolarHBondContact OG1-CD2 3.28Å
138L95Very high94.5Very high0 Ų026.3 Ų26.30%013%0.128CC..Hα-helixtrans-67.3-41.4170.7-71.1-179.9000111.7A134 H135 L141 K142 L167 I170 P213 A216 F217A134-L138 PolarHBondContact O-N 3.05Å; A134-L138 VanDerWaalsContact O-N 3.09Å; H135-L138 PolarHBondContact O-N 3.46Å; H135-L138 VanDerWaalsContact O-N 3.13Å; L138-L141 WeakPolarHBondContact O-CB 3.33Å; L138-L141 PolarHBondContact O-N 2.9Å; L138-K142 PolarHBondContact O-N 2.9Å; L138-L167 HydrophobicContact CD2-CD2 3.66Å; L138-L167 HydrophobicContact CG-CD2 4.02Å; L138-I170 HydrophobicContact CD2-CD1 4.03Å; L138-P213 HydrophobicContact CD1-CB 4.43Å; L138-P213 HydrophobicContact CD1-CG 4.3Å; L138-A216 HydrophobicContact CD1-CB 3.61Å; L138-A216 HydrophobicContact CD2-CB 4.41Å; L138-F217 HydrophobicContact CD1-CD2 4.3Å; L138-F217 HydrophobicContact CD1-CE1 4.49Å; L138-F217 HydrophobicContact CD1-CE2 3.42Å; L138-F217 VanDerWaalsContact CD1-CE2 3.42Å; L138-F217 HydrophobicContact CD1-CZ 3.53Å; L138-F217 HydrophobicContact CG-CE2 4.24Å; L138-F217 HydrophobicContact CG-CZ 3.93Å
139M95Very high94.8Very high32 Ų3223.4 Ų23.416%0.15812%0.118CC..Hα-helixtrans-68.3-38177.7-64.9-57.8-68.800111.9T94 H135 L136 K142 L143T94-M139 HydrophobicContact CG2-CB 4.45Å; T94-M139 HydrophobicContact CG2-CE 4.01Å; T94-M139 HydrophobicContact CG2-CG 4.24Å; H135-M139 PolarHBondContact O-N 3.12Å; H135-M139 VanDerWaalsContact O-N 3.09Å; L136-M139 PolarHBondContact O-N 3.1Å; M139-K142 PolarHBondContact O-N 3.15Å; M139-L143 PolarHBondContact O-N 2.92Å; M139-L143 VanDerWaalsContact O-N 3.16Å
140A96.6Very high95Very high0 Ų030.2 Ų30.20%015%0.147CC..Hα-helixtrans-64.8-38.1170.700000112.7L51 I93 N116 L136 L143 A144 F154L51-A140 HydrophobicContact CD1-CB 3.91Å; I93-A140 HydrophobicContact CD1-CB 4.44Å; N116-A140 HydrophobicContact CB-CB 4.42Å; N116-A140 VanDerWaalsContact ND2-CB 3.33Å; N116-A140 WeakPolarHBondContact ND2-CB 3.4Å; L136-A140 WeakPolarHBondContact O-CB 3.26Å; L136-A140 PolarHBondContact O-N 3.37Å; A140-L143 PolarHBondContact O-N 2.64Å; A140-A144 WeakPolarHBondContact O-CB 3.43Å; A140-A144 PolarHBondContact O-N 2.87Å; A140-F154 HydrophobicContact CB-CZ 4.29Å
141L96.1Very high95.2Very high0 Ų032.3 Ų32.30%017%0.169CC..Hα-helixtrans-64-41.3172.5178.869.9000111.6T137 L138 L143 A144 C145 F154 I170 F171 F174 F175 F211T137-L141 WeakPolarHBondContact O-CB 3.4Å; T137-L141 PolarHBondContact O-N 3.44Å; L138-L141 WeakPolarHBondContact O-CB 3.33Å; L138-L141 PolarHBondContact O-N 2.9Å; L141-L143 VanDerWaalsContact C-N 3.32Å; L141-L143 PolarHBondContact O-N 3.24Å; L141-A144 WeakPolarHBondContact O-CB 3.24Å; L141-A144 PolarHBondContact O-N 3.4Å; L141-A144 VanDerWaalsContact O-N 3.09Å; L141-C145 PolarHBondContact O-N 2.85Å; L141-C145 PolarHBondContact O-SG 3.24Å; L141-C145 VanDerWaalsContact O-SG 3.38Å; L141-F154 HydrophobicContact CB-CE1 4.21Å; L141-F154 HydrophobicContact CB-CZ 4.35Å; L141-F154 HydrophobicContact CD1-CD1 4.02Å; L141-F154 HydrophobicContact CD1-CE1 3.9Å; L141-I170 HydrophobicContact CD2-CG2 3.72Å; L141-F171 HydrophobicContact CB-CE1 4.31Å; L141-F171 HydrophobicContact CD1-CD1 3.93Å; L141-F171 HydrophobicContact CD1-CE1 4.09Å; L141-F171 HydrophobicContact CD2-CD1 3.9Å; L141-F171 HydrophobicContact CD2-CE1 3.91Å; L141-F171 HydrophobicContact CG-CD1 4.44Å; L141-F171 HydrophobicContact CG-CE1 4.32Å; L141-F174 HydrophobicContact CD2-CD2 4.1Å; L141-F174 HydrophobicContact CD2-CE2 4.18Å; L141-F175 HydrophobicContact CD1-CE2 3.87Å; L141-F211 HydrophobicContact CD2-CE1 4.28Å; L141-F211 HydrophobicContact CG-CE1 4.19Å
142K95.1Very high95.3Very high77 Ų7728.6 Ų28.634%0.33515%0.154SC..Hα-helixtrans-59.1-42.8177.3-169.2173.8-172.4165.40111.8L138 M139 E146 F211L138-K142 PolarHBondContact O-N 2.9Å; M139-K142 PolarHBondContact O-N 3.15Å; K142-E146 PolarHBondContact O-N 3.11Å; K142-F211 HydrophobicContact CB-CD1 3.7Å; K142-F211 HydrophobicContact CB-CE1 4Å; K142-F211 HydrophobicContact CB-CG 4.04Å; K142-F211 HydrophobicContact CD-CB 4Å; K142-F211 HydrophobicContact CD-CD2 4.26Å; K142-F211 HydrophobicContact CD-CG 4.03Å; K142-F211 HydrophobicContact CG-CB 4.4Å; K142-F211 HydrophobicContact CG-CD1 4.04Å; K142-F211 HydrophobicContact CG-CD2 4.06Å; K142-F211 HydrophobicContact CG-CE1 4.31Å; K142-F211 HydrophobicContact CG-CE2 4.31Å; K142-F211 HydrophobicContact CG-CG 3.9Å; K142-F211 HydrophobicContact CG-CZ 4.44Å
143L94.9Very high95.5Very high4 Ų427.5 Ų27.52%0.02115%0.146CC..Hα-helixtrans-64.4-45.5170.2-69.8-177.6000112.2L51 I93 R99 L102 M139 A140 L141 C145 E146 F147L51-L143 HydrophobicContact CD1-CB 4.15Å; L51-L143 HydrophobicContact CD1-CD1 4.02Å; L51-L143 HydrophobicContact CD2-CD1 3.87Å; I93-L143 HydrophobicContact CB-CD1 3.71Å; I93-L143 HydrophobicContact CG2-CD1 4.22Å; R99-L143 HydrophobicContact CG-CD2 3.26Å; L102-L143 HydrophobicContact CD1-CD1 4.42Å; M139-L143 PolarHBondContact O-N 2.92Å; M139-L143 VanDerWaalsContact O-N 3.16Å; A140-L143 PolarHBondContact O-N 2.64Å; L141-L143 VanDerWaalsContact C-N 3.32Å; L141-L143 PolarHBondContact O-N 3.24Å; L143-C145 VanDerWaalsContact C-N 3.34Å; L143-C145 PolarHBondContact O-N 3.4Å; L143-E146 PolarHBondContact O-N 2.97Å; L143-E146 VanDerWaalsContact O-N 3.12Å; L143-F147 HydrophobicContact CD2-CE2 4.12Å; L143-F147 WeakPolarHBondContact O-CD2 3.38Å; L143-F147 PolarHBondContact O-N 3.07Å
144A96.2Very high95.7Very high0 Ų027.5 Ų27.50%015%0.146CC..Hα-helixtrans-57.5-46.4179.400000111.4V114 A140 L141 E146 F147 L148 F154V114-A144 HydrophobicContact CB-CB 4.17Å; V114-A144 HydrophobicContact CG1-CB 3.98Å; V114-A144 HydrophobicContact CG2-CB 4.4Å; A140-A144 WeakPolarHBondContact O-CB 3.43Å; A140-A144 PolarHBondContact O-N 2.87Å; L141-A144 WeakPolarHBondContact O-CB 3.24Å; L141-A144 PolarHBondContact O-N 3.4Å; L141-A144 VanDerWaalsContact O-N 3.09Å; A144-E146 PolarHBondContact O-N 2.68Å; A144-F147 PolarHBondContact O-N 3.41Å; A144-L148 WeakPolarHBondContact O-CB 3.26Å; A144-L148 PolarHBondContact O-N 3.29Å; A144-F154 HydrophobicContact CB-CD2 3.68Å; A144-F154 HydrophobicContact CB-CE2 3.91Å; A144-F154 HydrophobicContact CB-CG 4.14Å
145C94.4Very high95.9Very high13 Ų1327.4 Ų27.49%0.08815%0.145CC..Hα-helixtrans-63.3-24.9178.9-66.20000113.9L141 L143 Y200 I206 F211L141-C145 PolarHBondContact O-N 2.85Å; L141-C145 PolarHBondContact O-SG 3.24Å; L141-C145 VanDerWaalsContact O-SG 3.38Å; L143-C145 VanDerWaalsContact C-N 3.34Å; L143-C145 PolarHBondContact O-N 3.4Å; C145-Y200 VanDerWaalsContact CA-OH 3.26Å; C145-Y200 WeakPolarHBondContact CA-OH 3.46Å; C145-Y200 HydrophobicContact CB-CE2 4.38Å; C145-Y200 WeakPolarHBondContact CB-OH 3.26Å; C145-Y200 PolarHBondContact O-OH 2.95Å; C145-I206 HydrophobicContact CB-CD1 4.13Å; C145-F211 HydrophobicContact CB-CZ 4.14Å
146E92.9Very high96Very high57 Ų5723.9 Ų23.927%0.26613%0.129SC..Hα-helixtrans-81.2-41.2175-165.6-173.1145.700112.6R99 R103 K110 K142 L143 A144R99-E146 VanDerWaalsContact CD-OE2 3.3Å; R99-E146 WeakPolarHBondContact CD-OE2 3.47Å; R103-E146 IonicContact CZ-OE1 3.44Å; R103-E146 IonicContact NE-OE1 2.9Å; R103-E146 PolarHBondContact NE-OE1 2.75Å; R103-E146 IonicContact NH2-OE1 2.8Å; R103-E146 PolarHBondContact NH2-OE1 2.93Å; R103-E146 IonicContact NH2-OE2 2.68Å; R103-E146 PolarHBondContact NH2-OE2 3.35Å; K110-E146 PolarHBondContact NZ-O 2.76Å; K142-E146 PolarHBondContact O-N 3.11Å; L143-E146 PolarHBondContact O-N 2.97Å; L143-E146 VanDerWaalsContact O-N 3.12Å; A144-E146 PolarHBondContact O-N 2.68Å
147F95.4Very high96.1Very high8 Ų822.9 Ų22.94%0.03512%0.123CC..Hα-helixtrans-103.3-17.1-169.5-68.1-71.3000115.8R99 L102 R103 L106 K110 A111 L143 A144R99-F147 HydrophobicContact CB-CZ 4.44Å; R99-F147 HydrophobicContact CG-CE2 4.19Å; L102-F147 HydrophobicContact CB-CD1 4.45Å; L102-F147 HydrophobicContact CB-CD2 4.48Å; L102-F147 HydrophobicContact CB-CE1 3.85Å; L102-F147 HydrophobicContact CB-CE2 3.91Å; L102-F147 HydrophobicContact CB-CZ 3.56Å; L102-F147 HydrophobicContact CD1-CD2 4.16Å; L102-F147 HydrophobicContact CD1-CE2 3.89Å; L102-F147 HydrophobicContact CD1-CZ 4.41Å; R103-F147 HydrophobicContact CB-CE1 4.43Å; R103-F147 HydrophobicContact CG-CE1 3.62Å; R103-F147 HydrophobicContact CG-CZ 3.82Å; L106-F147 HydrophobicContact CD1-CB 4.13Å; L106-F147 HydrophobicContact CD1-CD1 3.45Å; L106-F147 VanDerWaalsContact CD1-CD1 3.45Å; L106-F147 HydrophobicContact CD1-CE1 4.17Å; L106-F147 HydrophobicContact CD1-CG 4.02Å; K110-F147 CarbonylContact C-O 3.58Å; K110-F147 WeakPolarHBondContact CA-O 3.46Å; K110-F147 WeakPolarHBondContact CB-O 3.33Å; K110-F147 WeakPolarHBondContact CD-O 3.43Å; A111-F147 PolarHBondContact N-O 2.88Å; L143-F147 HydrophobicContact CD2-CE2 4.12Å; L143-F147 WeakPolarHBondContact O-CD2 3.38Å; L143-F147 PolarHBondContact O-N 3.07Å; A144-F147 PolarHBondContact O-N 3.41Å
148L96.7Very high96Very high7 Ų723 Ų234%0.03712%0.123CC..EExtended strand (participates in β ladder)trans-80.2141-176.8-168.374000111.8A111 V114 A144 F154 F175 Y200A111-L148 CarbonylContact O-C 3.59Å; A111-L148 WeakPolarHBondContact O-CA 3.47Å; A111-L148 WeakPolarHBondContact O-CD1 3.38Å; V114-L148 HydrophobicContact CB-CD1 4.33Å; V114-L148 HydrophobicContact CG2-CB 4.33Å; V114-L148 HydrophobicContact CG2-CD1 3.79Å; A144-L148 WeakPolarHBondContact O-CB 3.26Å; A144-L148 PolarHBondContact O-N 3.29Å; L148-F154 HydrophobicContact CD2-CB 4.39Å; L148-F175 HydrophobicContact CD2-CE1 3.59Å; L148-F175 HydrophobicContact CD2-CZ 3.85Å; L148-Y200 HydrophobicContact CB-CD1 4.17Å; L148-Y200 HydrophobicContact CB-CE1 4.49Å; L148-Y200 HydrophobicContact CD2-CD1 4.1Å; L148-Y200 HydrophobicContact CD2-CD2 4.44Å; L148-Y200 HydrophobicContact CD2-CG 3.83Å; L148-Y200 HydrophobicContact CG-CD1 4.26Å; L148-Y200 HydrophobicContact CG-CG 4.46Å
149T96.2Very high96Very high47 Ų4723.5 Ų23.529%0.28813%0.126SC..EExtended strand (participates in β ladder)trans-74.4156.9177.1-163.40000112.3A111 G151 G152 Y200A111-T149 WeakPolarHBondContact O-CG2 3.35Å; A111-T149 PolarHBondContact O-N 3.47Å; T149-G151 PolarHBondContact O-N 2.81Å; T149-G152 WeakPolarHBondContact O-CA 3.3Å; T149-G152 PolarHBondContact O-N 2.87Å; T149-Y200 WeakPolarHBondContact O-CD1 3.05Å
150K96.3Very high95.9Very high152 Ų15228.3 Ų28.366%0.66114%0.142SC*.EExtended strand (participates in β ladder)trans-62.9127.6174.1-169.5165.4-172.5159.60109.4G152 V201 A202K150-G152 VanDerWaalsContact C-N 3.32Å; K150-V201 VanDerWaalsContact CE-O 3.29Å; K150-V201 WeakPolarHBondContact CE-O 3.34Å; K150-A202 HydrophobicContact CB-CB 3.88Å; K150-A202 HydrophobicContact CD-CB 4.18Å; K150-A202 HydrophobicContact CG-CB 3.93Å
151G96Very high95.6Very high46 Ų4629.7 Ų29.747%0.47415%0.152SC..EExtended strand (participates in β ladder)trans86-8.8-17000000115.3T149 G199 Y200T149-G151 PolarHBondContact O-N 2.81Å; G151-G199 WeakPolarHBondContact O-CA 3.17Å; G151-G199 PolarHBondContact O-N 2.6Å; G151-Y200 PolarHBondContact N-O 2.86Å
152G96.8Very high95.3Very high5 Ų536.5 Ų36.55%0.05218%0.182CC..EExtended strand (participates in β ladder)trans-62.6170.9-178.200000114.9D112 T149 K150 G199 Y200D112-G152 VanDerWaalsContact O-CA 3.32Å; D112-G152 WeakPolarHBondContact O-CA 3.48Å; T149-G152 WeakPolarHBondContact O-CA 3.3Å; T149-G152 PolarHBondContact O-N 2.87Å; K150-G152 VanDerWaalsContact C-N 3.32Å; G152-G199 PolarHBondContact O-N 2.93Å; G152-G199 VanDerWaalsContact O-N 3.15Å; G152-Y200 PolarHBondContact O-N 3.46Å
153T98Very high95.1Very high16 Ų1634.2 Ų34.210%0.09817%0.173CC..EExtended strand (participates in β ladder)trans-117.4128.3-175.7-620000112.3F41 D112 V113 V114 I155 V196 C197 Q198F41-T153 HydrophobicContact CB-CG2 4.4Å; D112-T153 PolarHBondContact O-N 2.83Å; V113-T153 VanDerWaalsContact CA-O 3.29Å; V113-T153 WeakPolarHBondContact CA-O 3.44Å; V114-T153 PolarHBondContact N-O 3.41Å; T153-I155 HydrophobicContact CG2-CD1 4.17Å; T153-I155 HydrophobicContact CG2-CG1 3.87Å; T153-V196 HydrophobicContact CG2-CG1 4.37Å; T153-C197 CarbonylContact C-O 3.59Å; T153-C197 WeakPolarHBondContact CA-O 3.45Å; T153-Q198 HydrophobicContact CG2-CG 4.22Å
154F98.3Very high95Very high0 Ų035.8 Ų35.80%018%0.179CC..EExtended strand (participates in β ladder)trans-107131.9170.2176.6-125000110.3V114 A140 L141 A144 L148 T156 F171 F175 C197V114-F154 HydrophobicContact CB-CD2 4Å; V114-F154 HydrophobicContact CG1-CD2 3.9Å; V114-F154 HydrophobicContact CG1-CE2 4.09Å; V114-F154 CarbonylContact O-C 3.59Å; V114-F154 WeakPolarHBondContact O-CA 3.45Å; V114-F154 WeakPolarHBondContact O-CD2 3.39Å; A140-F154 HydrophobicContact CB-CZ 4.29Å; L141-F154 HydrophobicContact CB-CE1 4.21Å; L141-F154 HydrophobicContact CB-CZ 4.35Å; L141-F154 HydrophobicContact CD1-CD1 4.02Å; L141-F154 HydrophobicContact CD1-CE1 3.9Å; A144-F154 HydrophobicContact CB-CD2 3.68Å; A144-F154 HydrophobicContact CB-CE2 3.91Å; A144-F154 HydrophobicContact CB-CG 4.14Å; L148-F154 HydrophobicContact CD2-CB 4.39Å; F154-T156 HydrophobicContact CD1-CG2 4.33Å; F154-T156 HydrophobicContact CE1-CG2 3.63Å; F154-T156 HydrophobicContact CZ-CG2 4Å; F154-F171 HydrophobicContact CE1-CD1 4.45Å; F154-F171 AromaticContact CE1-CE1 3.88Å; F154-F171 HydrophobicContact CE1-CE1 3.88Å; F154-F171 HydrophobicContact CE1-CZ 4.36Å; F154-F175 HydrophobicContact CB-CE1 3.67Å; F154-F175 HydrophobicContact CB-CE2 4.18Å; F154-F175 HydrophobicContact CB-CZ 3.36Å; F154-F175 HydrophobicContact CD1-CE2 4.34Å; F154-F175 HydrophobicContact CD1-CZ 4.3Å; F154-F175 HydrophobicContact CG-CZ 4.19Å; F154-C197 HydrophobicContact CB-CB 4.33Å; F154-C197 PolarHBondContact N-O 2.96Å; F154-C197 PolarHBondContact O-N 3.16Å
155I97.9Very high94.9Very high0 Ų041.4 Ų41.40%021%0.205CC..EExtended strand (participates in β ladder)trans-127.8114.4177.7-55.8-176000109.5L35 F41 V114 L115 N116 T153 V195 V196L35-I155 HydrophobicContact CD1-CG2 4.23Å; F41-I155 HydrophobicContact CD1-CD1 3.62Å; F41-I155 HydrophobicContact CD2-CD1 3.82Å; F41-I155 HydrophobicContact CE1-CD1 3.3Å; F41-I155 HydrophobicContact CE2-CD1 3.52Å; F41-I155 HydrophobicContact CG-CD1 3.89Å; F41-I155 HydrophobicContact CZ-CD1 3.27Å; V114-I155 PolarHBondContact O-N 2.82Å; L115-I155 CarbonylContact C-O 3.54Å; L115-I155 WeakPolarHBondContact CA-O 3.41Å; L115-I155 HydrophobicContact CD2-CB 3.79Å; L115-I155 HydrophobicContact CD2-CD1 4.08Å; L115-I155 HydrophobicContact CD2-CG1 4.16Å; N116-I155 PolarHBondContact N-O 3.39Å; T153-I155 HydrophobicContact CG2-CD1 4.17Å; T153-I155 HydrophobicContact CG2-CG1 3.87Å; I155-V195 WeakPolarHBondContact CA-O 3.22Å; I155-V196 HydrophobicContact CD1-CG1 4.21Å; I155-V196 HydrophobicContact CD1-CG2 4.19Å; I155-V196 HydrophobicContact CG1-CB 4.45Å; I155-V196 HydrophobicContact CG1-CG1 4.14Å; I155-V196 HydrophobicContact CG1-CG2 4.16Å; I155-V196 HydrophobicContact CG2-CG2 4.04Å
156T97.6Very high94.8Very high0 Ų042.9 Ų42.90%022%0.215CC..EExtended strand (participates in β ladder)trans-125.6140-178.8-170.40000111.9N116 T137 F154 V158 F171 F194 V195N116-T156 PolarHBondContact ND2-OG1 3.27Å; N116-T156 CarbonylContact O-C 3.58Å; N116-T156 WeakPolarHBondContact O-CA 3.19Å; T137-T156 WeakPolarHBondContact CG2-OG1 3.16Å; F154-T156 HydrophobicContact CD1-CG2 4.33Å; F154-T156 HydrophobicContact CE1-CG2 3.63Å; F154-T156 HydrophobicContact CZ-CG2 4Å; T156-V158 HydrophobicContact CG2-CG2 4Å; T156-F171 HydrophobicContact CG2-CE1 4.42Å; T156-F171 HydrophobicContact CG2-CE2 4Å; T156-F171 HydrophobicContact CG2-CZ 3.67Å; T156-F194 WeakPolarHBondContact O-CA 3.43Å; T156-V195 HydrophobicContact CG2-CB 4.43Å; T156-V195 PolarHBondContact N-O 3.41Å; T156-V195 PolarHBondContact O-N 2.9Å
157K96.1Very high94.9Very high17 Ų1740.2 Ų40.27%0.07420%0.202CC..EExtended strand (participates in β ladder)trans-69.2140.4160.6175.8161.6149.4-173.90110.2N116 D117 Q133 T137 E192 I193 F194N116-K157 PolarHBondContact O-N 3.2Å; D117-K157 WeakPolarHBondContact O-CD 3.26Å; D117-K157 PolarHBondContact O-NZ 2.85Å; D117-K157 WeakPolarHBondContact OD1-CD 3.32Å; D117-K157 IonicContact OD1-NZ 3.39Å; D117-K157 PolarHBondContact OD1-NZ 3.27Å; Q133-K157 PolarHBondContact NE2-O 2.86Å; T137-K157 WeakPolarHBondContact CG2-O 3.46Å; K157-E192 HydrophobicContact CD-CB 4.2Å; K157-E192 WeakPolarHBondContact CE-OE2 3.41Å; K157-E192 HydrophobicContact CG-CB 4.29Å; K157-E192 IonicContact NZ-OE2 2.8Å; K157-E192 PolarHBondContact NZ-OE2 3.02Å; K157-E192 VanDerWaalsContact NZ-OE2 3.09Å; K157-I193 WeakPolarHBondContact CA-O 3.22Å; K157-F194 HydrophobicContact CB-CD1 4.07Å; K157-F194 HydrophobicContact CB-CE1 3.62Å; K157-F194 HydrophobicContact CB-CZ 4.09Å; K157-F194 HydrophobicContact CD-CE1 4.16Å; K157-F194 HydrophobicContact CD-CZ 3.86Å; K157-F194 HydrophobicContact CG-CE1 4.21Å; K157-F194 HydrophobicContact CG-CZ 4.16Å
158V95.5Very high94.8Very high1 Ų141 Ų411%0.00621%0.207CC..EExtended strand (participates in β ladder)trans-135.2146.6171.4-168.30000108.4T137 T156 Y164 L167 F171 I193 V195T137-V158 HydrophobicContact CG2-CG2 4.45Å; T156-V158 HydrophobicContact CG2-CG2 4Å; V158-Y164 HydrophobicContact CB-CD2 4.43Å; V158-Y164 HydrophobicContact CG1-CD2 3.93Å; V158-L167 HydrophobicContact CG1-CD1 3.78Å; V158-F171 HydrophobicContact CG2-CE2 4.33Å; V158-I193 HydrophobicContact CB-CG2 4.31Å; V158-I193 PolarHBondContact N-O 3.08Å; V158-I193 WeakPolarHBondContact O-CG2 3.37Å; V158-I193 PolarHBondContact O-N 3.44Å; V158-I193 VanDerWaalsContact O-O 3.05Å; V158-V195 HydrophobicContact CB-CG2 4.46Å; V158-V195 HydrophobicContact CG2-CG2 3.76Å
159F94.6Very high94.8Very high11 Ų1147 Ų475%0.04823%0.229CC..EExtended strand (participates in β ladder)trans-87.1137.1166-72.6-15.8000110.5A119 V122 W126 Q133 S161 E192A119-F159 HydrophobicContact CB-CZ 4.01Å; V122-F159 HydrophobicContact CG1-CE2 3.79Å; V122-F159 HydrophobicContact CG1-CZ 3.91Å; W126-F159 HydrophobicContact CH2-CB 3.89Å; W126-F159 AromaticContact CH2-CD2 3.74Å; W126-F159 HydrophobicContact CH2-CD2 3.74Å; W126-F159 HydrophobicContact CH2-CE2 4.42Å; W126-F159 AromaticContact CH2-CG 3.86Å; W126-F159 HydrophobicContact CH2-CG 3.86Å; W126-F159 HydrophobicContact CZ2-CB 4.41Å; W126-F159 AromaticContact CZ3-CD2 3.96Å; W126-F159 HydrophobicContact CZ3-CD2 3.96Å; W126-F159 HydrophobicContact CZ3-CE2 4.23Å; W126-F159 HydrophobicContact CZ3-CG 4.47Å; Q133-F159 HydrophobicContact CB-CD2 3.69Å; Q133-F159 HydrophobicContact CB-CE2 4.02Å; Q133-F159 HydrophobicContact CB-CG 4.29Å; Q133-F159 HydrophobicContact CG-CD1 4.4Å; Q133-F159 HydrophobicContact CG-CD2 3.75Å; Q133-F159 HydrophobicContact CG-CE2 3.89Å; Q133-F159 HydrophobicContact CG-CG 4.02Å; Q133-F159 HydrophobicContact CG-CZ 4.3Å; F159-S161 PolarHBondContact O-N 3.14Å; F159-E192 HydrophobicContact CD1-CB 4.13Å; F159-E192 HydrophobicContact CE1-CB 4.14Å
160R91.6Very high94.7Very high133 Ų13345 Ų4550%0.50222%0.216SC..  trans-70.593.5173.2-175.3-176.2-74.996.6-4.9109.9A191R160-A191 PolarHBondContact N-O 3.33Å
161S91.1Very high94.7Very high30 Ų3037.8 Ų37.821%0.2119%0.185CC..SBendtrans-122-168.1177.470.90000111.3F159 D163F159-S161 PolarHBondContact O-N 3.14Å; S161-D163 VanDerWaalsContact C-N 3.27Å; S161-D163 VanDerWaalsContact CB-OD2 3.29Å; S161-D163 WeakPolarHBondContact CB-OD2 3.01Å; S161-D163 PolarHBondContact OG-N 2.91Å; S161-D163 PolarHBondContact OG-OD2 2.84Å
162K90.3Very high94.7Very high143 Ų14340.2 Ų40.262%0.62218%0.184SC*.SBendtrans-63.5-37.5169.8-169.6175.2-174.5176.50111.3Y164 E219K162-Y164 VanDerWaalsContact C-N 3.28Å; K162-Y164 PolarHBondContact O-N 2.91Å; K162-E219 WeakPolarHBondContact CE-OE1 3.24Å; K162-E219 WeakPolarHBondContact CE-OE2 3.43Å; K162-E219 IonicContact NZ-OE1 3.18Å; K162-E219 PolarHBondContact NZ-OE1 3.32Å; K162-E219 IonicContact NZ-OE2 3.85Å; K162-E219 PolarHBondContact NZ-OE2 3.24Å
163D91.1Very high94.7Very high28 Ų2844 Ų4415%0.1520%0.2CC..THydrogen-bonded Turntrans-80-8.5-171.4-26.2-78.4000113.1A134 S161 Q165 P166 L167 F217A134-D163 HydrophobicContact CB-CB 4.03Å; S161-D163 VanDerWaalsContact C-N 3.27Å; S161-D163 VanDerWaalsContact CB-OD2 3.29Å; S161-D163 WeakPolarHBondContact CB-OD2 3.01Å; S161-D163 PolarHBondContact OG-N 2.91Å; S161-D163 PolarHBondContact OG-OD2 2.84Å; D163-Q165 VanDerWaalsContact C-N 3.34Å; D163-Q165 PolarHBondContact O-N 3.04Å; D163-P166 WeakPolarHBondContact O-CD 3.47Å; D163-L167 PolarHBondContact O-N 3.1Å; D163-L167 VanDerWaalsContact O-N 3.17Å; D163-F217 HydrophobicContact CB-CD1 3.75Å; D163-F217 HydrophobicContact CB-CE1 3.76Å
164Y92.6Very high94.6Very high38 Ų3843.4 Ų43.415%0.14920%0.196CC..Hα-helixtrans-59.4-40.3177.8170.6-95.4000113V158 K162 L168 A180 I193 V195V158-Y164 HydrophobicContact CB-CD2 4.43Å; V158-Y164 HydrophobicContact CG1-CD2 3.93Å; K162-Y164 VanDerWaalsContact C-N 3.28Å; K162-Y164 PolarHBondContact O-N 2.91Å; Y164-L168 HydrophobicContact CE1-CD2 4.29Å; Y164-L168 WeakPolarHBondContact O-CB 3.43Å; Y164-L168 PolarHBondContact O-N 2.7Å; Y164-A180 VanDerWaalsContact OH-CB 3.23Å; Y164-A180 WeakPolarHBondContact OH-CB 3.36Å; Y164-I193 HydrophobicContact CD2-CG2 4.28Å; Y164-I193 HydrophobicContact CE2-CG2 3.85Å; Y164-V195 HydrophobicContact CE2-CG2 4.32Å
165Q92.5Very high94.5Very high118 Ų11843.7 Ų43.755%0.55120%0.197SC*.Hα-helixtrans-73.8-43.9-176.5-171.467.21900112.4D163 L167 L168 W169D163-Q165 VanDerWaalsContact C-N 3.34Å; D163-Q165 PolarHBondContact O-N 3.04Å; Q165-L167 PolarHBondContact O-N 2.79Å; Q165-L168 PolarHBondContact O-N 3.3Å; Q165-W169 PolarHBondContact O-N 3.08Å; Q165-W169 VanDerWaalsContact O-N 3.07Å
166P93.3Very high94.5Very high44 Ų4452.2 Ų52.229%0.28624%0.235SC..Hα-helixtrans-55-46.1167.7-27.634.2000113.6D163 L168 W169 I170 A216 F217D163-P166 WeakPolarHBondContact O-CD 3.47Å; P166-L168 VanDerWaalsContact C-N 3.33Å; P166-L168 PolarHBondContact O-N 3.12Å; P166-W169 PolarHBondContact O-N 3.06Å; P166-I170 VanDerWaalsContact O-CG1 3.31Å; P166-I170 WeakPolarHBondContact O-CG1 3.33Å; P166-I170 PolarHBondContact O-N 2.9Å; P166-A216 VanDerWaalsContact CB-O 3.3Å; P166-A216 WeakPolarHBondContact CB-O 3.45Å; P166-F217 HydrophobicContact CB-CD1 4.3Å
167L94.1Very high94.4Very high0 Ų057.3 Ų57.30%026%0.257CS..Hα-helixtrans-56.1-45.9175.3-86.7166.5000112.5A134 T137 L138 V158 D163 Q165 W169 I170 F171 F217A134-L167 HydrophobicContact CB-CD1 3.83Å; T137-L167 WeakPolarHBondContact OG1-CD1 3.48Å; T137-L167 WeakPolarHBondContact OG1-CD2 3.28Å; L138-L167 HydrophobicContact CD2-CD2 3.66Å; L138-L167 HydrophobicContact CG-CD2 4.02Å; V158-L167 HydrophobicContact CG1-CD1 3.78Å; D163-L167 PolarHBondContact O-N 3.1Å; D163-L167 VanDerWaalsContact O-N 3.17Å; Q165-L167 PolarHBondContact O-N 2.79Å; L167-W169 VanDerWaalsContact C-N 3.32Å; L167-W169 PolarHBondContact O-N 2.69Å; L167-I170 PolarHBondContact O-N 3.49Å; L167-F171 HydrophobicContact CB-CE2 4.13Å; L167-F171 HydrophobicContact CB-CZ 4.37Å; L167-F171 HydrophobicContact CD2-CE1 4.35Å; L167-F171 HydrophobicContact CD2-CZ 3.9Å; L167-F171 WeakPolarHBondContact O-CD2 3.43Å; L167-F171 VanDerWaalsContact O-CG 3.22Å; L167-F171 WeakPolarHBondContact O-CG 3.48Å; L167-F171 PolarHBondContact O-N 3.08Å; L167-F217 HydrophobicContact CD1-CE1 4.44Å; L167-F217 HydrophobicContact CD1-CZ 4.49Å; L167-F217 HydrophobicContact CD2-CZ 4.38Å; L167-F217 HydrophobicContact CG-CE1 3.97Å; L167-F217 HydrophobicContact CG-CZ 4.2Å
168L95.2Very high94.5Very high25 Ų2557.8 Ų57.813%0.13126%0.261CS..Hα-helixtrans-62.7-39.4-179.6-164.172.5000111.9Y164 Q165 P166 F171 Q172 V178 V195Y164-L168 HydrophobicContact CE1-CD2 4.29Å; Y164-L168 WeakPolarHBondContact O-CB 3.43Å; Y164-L168 PolarHBondContact O-N 2.7Å; Q165-L168 PolarHBondContact O-N 3.3Å; P166-L168 VanDerWaalsContact C-N 3.33Å; P166-L168 PolarHBondContact O-N 3.12Å; L168-F171 PolarHBondContact O-N 3.34Å; L168-Q172 VanDerWaalsContact O-CG 3.32Å; L168-Q172 WeakPolarHBondContact O-CG 3.29Å; L168-Q172 PolarHBondContact O-N 3.5Å; L168-Q172 VanDerWaalsContact O-N 3.12Å; L168-V178 HydrophobicContact CD1-CG1 3.58Å; L168-V178 HydrophobicContact CG-CG1 4.42Å; L168-V195 HydrophobicContact CD1-CG1 3.95Å; L168-V195 HydrophobicContact CD1-CG2 4.44Å
169W94.9Very high94.6Very high134 Ų13461.2 Ų61.251%0.50828%0.277SS..Hα-helixtrans-67.8-39.9175.617981.7000112.7Q165 P166 L167 Q172 Q173 F210Q165-W169 PolarHBondContact O-N 3.08Å; Q165-W169 VanDerWaalsContact O-N 3.07Å; P166-W169 PolarHBondContact O-N 3.06Å; L167-W169 VanDerWaalsContact C-N 3.32Å; L167-W169 PolarHBondContact O-N 2.69Å; W169-Q172 WeakPolarHBondContact O-CB 3.23Å; W169-Q172 PolarHBondContact O-N 2.97Å; W169-Q173 HydrophobicContact CH2-CG 4.32Å; W169-Q173 HydrophobicContact CZ2-CG 4.32Å; W169-Q173 HydrophobicContact CZ3-CG 4.49Å; W169-Q173 WeakPolarHBondContact O-CG 3.43Å; W169-Q173 PolarHBondContact O-N 3.34Å; W169-Q173 PolarHBondContact O-NE2 3.26Å; W169-F210 AromaticContact CH2-CE1 3.89Å; W169-F210 HydrophobicContact CH2-CE1 3.89Å; W169-F210 HydrophobicContact CZ3-CD1 4.39Å; W169-F210 AromaticContact CZ3-CE1 3.81Å; W169-F210 HydrophobicContact CZ3-CE1 3.81Å
170I95.3Very high94.6Very high3 Ų362.5 Ų62.52%0.01529%0.29CS..Hα-helixtrans-62.2-45174.4-66167000110.2L138 L141 P166 L167 Q172 Q173 F174 F210 A216L138-I170 HydrophobicContact CD2-CD1 4.03Å; L141-I170 HydrophobicContact CD2-CG2 3.72Å; P166-I170 VanDerWaalsContact O-CG1 3.31Å; P166-I170 WeakPolarHBondContact O-CG1 3.33Å; P166-I170 PolarHBondContact O-N 2.9Å; L167-I170 PolarHBondContact O-N 3.49Å; I170-Q172 PolarHBondContact O-N 3.06Å; I170-Q173 PolarHBondContact O-N 2.98Å; I170-Q173 VanDerWaalsContact O-N 3.11Å; I170-F174 HydrophobicContact CG2-CD2 4.23Å; I170-F174 HydrophobicContact CG2-CE2 3.89Å; I170-F174 VanDerWaalsContact O-CD2 3.27Å; I170-F174 WeakPolarHBondContact O-CD2 3.45Å; I170-F210 HydrophobicContact CG1-CD1 4.44Å; I170-F210 HydrophobicContact CG2-CD1 4.37Å; I170-A216 HydrophobicContact CD1-CB 3.59Å
171F96.7Very high94.8Very high1 Ų157.4 Ų57.40%0.00427%0.274CS..Hα-helixtrans-60.2-34.6175.2-59.6-36.1000112.4L141 F154 T156 V158 L167 L168 Q173 F174 F175 V178 V195L141-F171 HydrophobicContact CB-CE1 4.31Å; L141-F171 HydrophobicContact CD1-CD1 3.93Å; L141-F171 HydrophobicContact CD1-CE1 4.09Å; L141-F171 HydrophobicContact CD2-CD1 3.9Å; L141-F171 HydrophobicContact CD2-CE1 3.91Å; L141-F171 HydrophobicContact CG-CD1 4.44Å; L141-F171 HydrophobicContact CG-CE1 4.32Å; F154-F171 HydrophobicContact CE1-CD1 4.45Å; F154-F171 AromaticContact CE1-CE1 3.88Å; F154-F171 HydrophobicContact CE1-CE1 3.88Å; F154-F171 HydrophobicContact CE1-CZ 4.36Å; T156-F171 HydrophobicContact CG2-CE1 4.42Å; T156-F171 HydrophobicContact CG2-CE2 4Å; T156-F171 HydrophobicContact CG2-CZ 3.67Å; V158-F171 HydrophobicContact CG2-CE2 4.33Å; L167-F171 HydrophobicContact CB-CE2 4.13Å; L167-F171 HydrophobicContact CB-CZ 4.37Å; L167-F171 HydrophobicContact CD2-CE1 4.35Å; L167-F171 HydrophobicContact CD2-CZ 3.9Å; L167-F171 WeakPolarHBondContact O-CD2 3.43Å; L167-F171 VanDerWaalsContact O-CG 3.22Å; L167-F171 WeakPolarHBondContact O-CG 3.48Å; L167-F171 PolarHBondContact O-N 3.08Å; L168-F171 PolarHBondContact O-N 3.34Å; F171-Q173 VanDerWaalsContact C-N 3.26Å; F171-Q173 PolarHBondContact O-N 3.14Å; F171-F174 PolarHBondContact O-N 2.76Å; F171-F175 WeakPolarHBondContact O-CD2 3.31Å; F171-F175 PolarHBondContact O-N 3.18Å; F171-V178 HydrophobicContact CB-CG1 4.05Å; F171-V178 HydrophobicContact CB-CG2 3.97Å; F171-V195 HydrophobicContact CD2-CB 4.47Å; F171-V195 HydrophobicContact CD2-CG1 3.96Å; F171-V195 HydrophobicContact CE2-CB 4.33Å; F171-V195 HydrophobicContact CE2-CG1 4.32Å; F171-V195 HydrophobicContact CE2-CG2 4.45Å
172Q96.1Very high94.9Very high98 Ų9859.3 Ų59.346%0.45828%0.278SS..Hα-helixtrans-66.5-23.4177.3-73.9167.6-24.900113.4L168 W169 I170 F174 V178L168-Q172 VanDerWaalsContact O-CG 3.32Å; L168-Q172 WeakPolarHBondContact O-CG 3.29Å; L168-Q172 PolarHBondContact O-N 3.5Å; L168-Q172 VanDerWaalsContact O-N 3.12Å; W169-Q172 WeakPolarHBondContact O-CB 3.23Å; W169-Q172 PolarHBondContact O-N 2.97Å; I170-Q172 PolarHBondContact O-N 3.06Å; Q172-F174 VanDerWaalsContact C-N 3.35Å; Q172-V178 HydrophobicContact CG-CB 4.09Å; Q172-V178 HydrophobicContact CG-CG2 3.95Å
173Q94.9Very high95.1Very high84 Ų8453 Ų5339%0.39325%0.252SS..Hα-helixtrans-74.1-27.2174.3-49.6-43.4-62.700112.4W169 I170 F171 F210W169-Q173 HydrophobicContact CH2-CG 4.32Å; W169-Q173 HydrophobicContact CZ2-CG 4.32Å; W169-Q173 HydrophobicContact CZ3-CG 4.49Å; W169-Q173 WeakPolarHBondContact O-CG 3.43Å; W169-Q173 PolarHBondContact O-N 3.34Å; W169-Q173 PolarHBondContact O-NE2 3.26Å; I170-Q173 PolarHBondContact O-N 2.98Å; I170-Q173 VanDerWaalsContact O-N 3.11Å; F171-Q173 VanDerWaalsContact C-N 3.26Å; F171-Q173 PolarHBondContact O-N 3.14Å; Q173-F210 HydrophobicContact CB-CE1 4.47Å; Q173-F210 HydrophobicContact CG-CE1 3.91Å; Q173-F210 HydrophobicContact CG-CZ 4.29Å
174F96.1Very high95.1Very high4 Ų459.3 Ų59.32%0.01828%0.28CS..Hα-helixtrans-101.1-19.8-174.7-66.4-66.5000114.4L141 I170 F171 Q172 Y200 V201 P203 I206 F210 F211L141-F174 HydrophobicContact CD2-CD2 4.1Å; L141-F174 HydrophobicContact CD2-CE2 4.18Å; I170-F174 HydrophobicContact CG2-CD2 4.23Å; I170-F174 HydrophobicContact CG2-CE2 3.89Å; I170-F174 VanDerWaalsContact O-CD2 3.27Å; I170-F174 WeakPolarHBondContact O-CD2 3.45Å; F171-F174 PolarHBondContact O-N 2.76Å; Q172-F174 VanDerWaalsContact C-N 3.35Å; F174-Y200 HydrophobicContact CB-CD2 4.34Å; F174-Y200 HydrophobicContact CB-CE2 4.15Å; F174-Y200 HydrophobicContact CD1-CE2 4.33Å; F174-Y200 VanDerWaalsContact O-CD2 3.22Å; F174-Y200 WeakPolarHBondContact O-CD2 3.39Å; F174-V201 WeakPolarHBondContact O-CG2 3.45Å; F174-V201 PolarHBondContact O-N 2.81Å; F174-P203 HydrophobicContact CD1-CG 4.39Å; F174-I206 HydrophobicContact CE1-CD1 4.03Å; F174-I206 HydrophobicContact CE1-CG1 4.11Å; F174-I206 HydrophobicContact CE1-CG2 3.66Å; F174-I206 HydrophobicContact CZ-CG2 3.68Å; F174-F210 HydrophobicContact CE2-CB 4.14Å; F174-F210 HydrophobicContact CE2-CG 4.28Å; F174-F210 HydrophobicContact CZ-CB 4.04Å; F174-F210 HydrophobicContact CZ-CD2 4.15Å; F174-F210 HydrophobicContact CZ-CG 4.11Å; F174-F211 HydrophobicContact CE2-CE1 4.46Å; F174-F211 HydrophobicContact CZ-CE1 4.37Å; F174-F211 HydrophobicContact CZ-CZ 4.1Å
175F97.6Very high95.1Very high5 Ų557.5 Ų57.52%0.02227%0.273CS..EExtended strand (participates in β ladder)trans-134.1131.6-171.5-64.7-94000112.6L141 L148 F154 F171 K177 V178 C197 Y200L141-F175 HydrophobicContact CD1-CE2 3.87Å; L148-F175 HydrophobicContact CD2-CE1 3.59Å; L148-F175 HydrophobicContact CD2-CZ 3.85Å; F154-F175 HydrophobicContact CB-CE1 3.67Å; F154-F175 HydrophobicContact CB-CE2 4.18Å; F154-F175 HydrophobicContact CB-CZ 3.36Å; F154-F175 HydrophobicContact CD1-CE2 4.34Å; F154-F175 HydrophobicContact CD1-CZ 4.3Å; F154-F175 HydrophobicContact CG-CZ 4.19Å; F171-F175 WeakPolarHBondContact O-CD2 3.31Å; F171-F175 PolarHBondContact O-N 3.18Å; F175-K177 PolarHBondContact O-N 3Å; F175-K177 VanDerWaalsContact O-N 3.13Å; F175-V178 HydrophobicContact CB-CG2 4.02Å; F175-C197 HydrophobicContact CB-CB 3.84Å; F175-C197 HydrophobicContact CD1-CB 3.61Å; F175-C197 WeakPolarHBondContact CD1-O 3.37Å; F175-C197 HydrophobicContact CD2-CB 3.63Å; F175-C197 HydrophobicContact CE1-CB 4.02Å; F175-C197 HydrophobicContact CE2-CB 4.06Å; F175-C197 HydrophobicContact CG-CB 3.41Å; F175-C197 VanDerWaalsContact CG-CB 3.41Å; F175-C197 HydrophobicContact CZ-CB 4.26Å; F175-Y200 HydrophobicContact CD1-CD2 4.34Å; F175-Y200 AromaticContact CE1-CD2 3.93Å; F175-Y200 HydrophobicContact CE1-CD2 3.93Å; F175-Y200 HydrophobicContact CE1-CG 4.15Å; F175-Y200 HydrophobicContact CE2-CD2 4.24Å; F175-Y200 AromaticContact CZ-CD2 3.84Å; F175-Y200 HydrophobicContact CZ-CD2 3.84Å; F175-Y200 HydrophobicContact CZ-CG 4.41Å
176K96.9Very high95Very high180 Ų18052.1 Ų52.178%0.78325%0.248SC*.EExtended strand (participates in β ladder)trans-56.3-30.4179-69.6-174.3176.2-168.70114Q198 G199 V201K176-Q198 PolarHBondContact N-O 3Å; K176-G199 WeakPolarHBondContact CG-O 3.47Å; K176-G199 PolarHBondContact N-O 3.2Å; K176-V201 HydrophobicContact CG-CG2 4.25Å
177K97Very high94.8Very high107 Ų10754.7 Ų54.747%0.46525%0.253SS..EExtended strand (participates in β ladder)trans-143.5107.3-174.8-174.7174.5-175.7173.40111.7F175 Q179 C197 Q198F175-K177 PolarHBondContact O-N 3Å; F175-K177 VanDerWaalsContact O-N 3.13Å; K177-Q179 HydrophobicContact CG-CG 4.36Å; K177-C197 CarbonylContact O-C 3.58Å; K177-C197 WeakPolarHBondContact O-CA 3.2Å; K177-Q198 HydrophobicContact CB-CB 4.41Å; K177-Q198 PolarHBondContact N-O 3Å; K177-Q198 PolarHBondContact O-N 2.85Å
178V97.6Very high94.4Very high27 Ų2761.9 Ų61.916%0.16429%0.291CS..EExtended strand (participates in β ladder)trans-108.5117.6179.3-178.10000109.7L168 F171 Q172 F175 V195 C197L168-V178 HydrophobicContact CD1-CG1 3.58Å; L168-V178 HydrophobicContact CG-CG1 4.42Å; F171-V178 HydrophobicContact CB-CG1 4.05Å; F171-V178 HydrophobicContact CB-CG2 3.97Å; Q172-V178 HydrophobicContact CG-CB 4.09Å; Q172-V178 HydrophobicContact CG-CG2 3.95Å; F175-V178 HydrophobicContact CB-CG2 4.02Å; V178-V195 HydrophobicContact CG1-CG1 3.47Å; V178-V195 VanDerWaalsContact CG1-CG1 3.47Å; V178-C197 HydrophobicContact CG2-CB 4.34Å
179Q96.3Very high93.9Very high72 Ų7266.9 Ų66.934%0.33631%0.313SS..EExtended strand (participates in β ladder)trans-128120.9179.8-67.5-160.3-10.200112.5F39 K177 V196F39-Q179 HydrophobicContact CE1-CB 4.46Å; F39-Q179 HydrophobicContact CZ-CB 4.46Å; K177-Q179 HydrophobicContact CG-CG 4.36Å; Q179-V196 PolarHBondContact N-O 3.34Å; Q179-V196 PolarHBondContact O-N 3.14Å
180A95.6Very high93.5Very high39 Ų3962.2 Ų62.232%0.32230%0.301SS..EExtended strand (participates in β ladder)trans-80.6139.8169.700000111.2Y164 I193 F194 V195Y164-A180 VanDerWaalsContact OH-CB 3.23Å; Y164-A180 WeakPolarHBondContact OH-CB 3.36Å; A180-I193 HydrophobicContact CB-CD1 3.81Å; A180-I193 HydrophobicContact CB-CG1 4.28Å; A180-F194 CarbonylContact C-O 3.57Å; A180-F194 WeakPolarHBondContact CA-O 3.41Å; A180-V195 HydrophobicContact CB-CG2 4.45Å
181T94.8Very high93.2Very high26 Ų2663.5 Ų63.516%0.1631%0.312CS..EExtended strand (participates in β ladder)trans-153.6140.5178.6-75.80000109.9L35 K38 F39 F194L35-T181 HydrophobicContact CD2-CG2 4.2Å; K38-T181 HydrophobicContact CD-CG2 4.29Å; K38-T181 PolarHBondContact NZ-OG1 3.26Å; F39-T181 HydrophobicContact CE2-CG2 4.47Å; T181-F194 PolarHBondContact N-O 3.24Å; T181-F194 PolarHBondContact O-N 3.46Å; T181-F194 VanDerWaalsContact O-O 3.07Å
182K94.6Very high93Very high70 Ų7064.1 Ų64.130%0.30432%0.315SS..  trans-109.6110.8172.2-170.1171.1-179.4177.70109.5S186 R187 N188 S190 E192K182-S186 WeakPolarHBondContact CE-OG 3.34Å; K182-R187 WeakPolarHBondContact CE-O 3.43Å; K182-R187 PolarHBondContact NZ-O 3.34Å; K182-N188 PolarHBondContact NZ-O 2.89Å; K182-N188 VanDerWaalsContact NZ-O 3.09Å; K182-S190 PolarHBondContact NZ-O 3.12Å; K182-E192 WeakPolarHBondContact CD-O 3.16Å; K182-E192 WeakPolarHBondContact CE-O 3.29Å
183P93.8Very high93Very high10 Ų1060 Ų607%0.06530%0.296CS..  trans-71.2150.6-179.828.5-32.7000111.1K31 Q34 A185 S186 F194K31-P183 HydrophobicContact CB-CG 3.94Å; K31-P183 HydrophobicContact CG-CG 4.32Å; Q34-P183 HydrophobicContact CB-CB 4.04Å; P183-A185 PolarHBondContact O-N 3.39Å; P183-A185 VanDerWaalsContact O-N 3.16Å; P183-S186 WeakPolarHBondContact O-CB 3.45Å; P183-S186 PolarHBondContact O-N 3.12Å; P183-F194 HydrophobicContact CG-CD2 3.93Å; P183-F194 HydrophobicContact CG-CE2 4.18Å
184Q91.3Very high93.1Very high160 Ų16056 Ų5675%0.74828%0.277SS*.THydrogen-bonded Turntrans-61.5-23-179.9-65178.4-11.700113.6F15 S186F15-Q184 WeakPolarHBondContact CE2-O 3.19Å; Q184-S186 PolarHBondContact O-N 3.02Å
185A92.2Very high93.1Very high0 Ų055.8 Ų55.80%028%0.277CS..THydrogen-bonded Turntrans-73.6-11.517300000113.7F15 R27 F30 K31 P183F15-A185 HydrophobicContact CD1-CB 3.98Å; F15-A185 HydrophobicContact CD2-CB 4.4Å; F15-A185 HydrophobicContact CE1-CB 4.05Å; F15-A185 HydrophobicContact CE2-CB 4.46Å; F15-A185 HydrophobicContact CG-CB 4.16Å; F15-A185 HydrophobicContact CZ-CB 4.29Å; R27-A185 PolarHBondContact NH2-O 3.07Å; F30-A185 HydrophobicContact CB-CB 3.65Å; K31-A185 HydrophobicContact CG-CB 4.19Å; P183-A185 PolarHBondContact O-N 3.39Å; P183-A185 VanDerWaalsContact O-N 3.16Å
186S91.1Very high93.1Very high5 Ų555.6 Ų55.64%0.03528%0.276CS..SBendtrans-74.9147.8168-173.20000110.7K182 P183 Q184 E192K182-S186 WeakPolarHBondContact CE-OG 3.34Å; P183-S186 WeakPolarHBondContact O-CB 3.45Å; P183-S186 PolarHBondContact O-N 3.12Å; Q184-S186 PolarHBondContact O-N 3.02Å; S186-E192 WeakPolarHBondContact CB-OE1 3.29Å; S186-E192 WeakPolarHBondContact OG-CG 3.45Å; S186-E192 PolarHBondContact OG-OE1 3.25Å
187R88.8Confident93.2Very high99 Ų9947 Ų4737%0.37424%0.239SC..  trans-73.5132.6173.9-71.4179.6170.7160.5-6.4109.9R11 K182 E189 S190R11-R187 PolarHBondContact O-NH2 2.95Å; K182-R187 WeakPolarHBondContact CE-O 3.43Å; K182-R187 PolarHBondContact NZ-O 3.34Å; R187-E189 PolarHBondContact O-N 3.45Å; R187-S190 WeakPolarHBondContact O-CB 3.45Å; R187-S190 PolarHBondContact O-N 3.12Å
188N85Confident93.2Very high151 Ų15144.1 Ų44.181%0.80723%0.227SC*.THydrogen-bonded Turntrans-53.1-43.2174.6-71.7-2.2000111.8K182 S190K182-N188 PolarHBondContact NZ-O 2.89Å; K182-N188 VanDerWaalsContact NZ-O 3.09Å; N188-S190 VanDerWaalsContact C-N 3.27Å; N188-S190 PolarHBondContact O-N 3.35Å
189E86.4Confident93.1Very high129 Ų12943.6 Ų43.660%0.60323%0.227SC*.THydrogen-bonded Turntrans-68.1-16.6178.3-55.4172.3130.300114.8R11 R187R11-E189 IonicContact CZ-OE1 2.71Å; R11-E189 IonicContact CZ-OE2 2.61Å; R11-E189 IonicContact NE-OE2 3.8Å; R11-E189 IonicContact NH1-OE1 2.62Å; R11-E189 PolarHBondContact NH1-OE1 2.78Å; R11-E189 IonicContact NH1-OE2 2.99Å; R11-E189 PolarHBondContact NH1-OE2 3.29Å; R11-E189 IonicContact NH2-OE1 3.02Å; R11-E189 PolarHBondContact NH2-OE1 2.98Å; R11-E189 IonicContact NH2-OE2 2.85Å; R11-E189 PolarHBondContact NH2-OE2 3.11Å; R187-E189 PolarHBondContact O-N 3.45Å
190S85.5Confident93.2Very high36 Ų3640.5 Ų40.525%0.25221%0.212SC..SBendtrans-80136.8177.4-175.20000110.4K182 R187 N188 E192K182-S190 PolarHBondContact NZ-O 3.12Å; R187-S190 WeakPolarHBondContact O-CB 3.45Å; R187-S190 PolarHBondContact O-N 3.12Å; N188-S190 VanDerWaalsContact C-N 3.27Å; N188-S190 PolarHBondContact O-N 3.35Å; S190-E192 PolarHBondContact O-N 3.43Å; S190-E192 WeakPolarHBondContact OG-CG 3.48Å; S190-E192 PolarHBondContact OG-N 3.13Å
191A89.9Confident93.2Very high30 Ų3041.4 Ų41.425%0.24821%0.214CC..  trans-73.3-0.2171.500000113.5W126 R160W126-A191 HydrophobicContact CH2-CB 3.45Å; W126-A191 VanDerWaalsContact CH2-CB 3.45Å; W126-A191 HydrophobicContact CZ2-CB 3.69Å; W126-A191 HydrophobicContact CZ3-CB 4.41Å; R160-A191 PolarHBondContact N-O 3.33Å
192E91.7Very high93.1Very high14 Ų1441.5 Ų41.57%0.06522%0.217CC..EExtended strand (participates in β ladder)trans-63.9136.9176.780-175.4178.300112.6K31 K157 F159 K182 S186 S190 F194K31-E192 VanDerWaalsContact CE-OE1 3.22Å; K31-E192 WeakPolarHBondContact CE-OE1 3.43Å; K31-E192 IonicContact NZ-OE1 3.38Å; K31-E192 PolarHBondContact NZ-OE1 2.86Å; K31-E192 IonicContact NZ-OE2 2.72Å; K31-E192 PolarHBondContact NZ-OE2 3.07Å; K157-E192 HydrophobicContact CD-CB 4.2Å; K157-E192 WeakPolarHBondContact CE-OE2 3.41Å; K157-E192 HydrophobicContact CG-CB 4.29Å; K157-E192 IonicContact NZ-OE2 2.8Å; K157-E192 PolarHBondContact NZ-OE2 3.02Å; K157-E192 VanDerWaalsContact NZ-OE2 3.09Å; F159-E192 HydrophobicContact CD1-CB 4.13Å; F159-E192 HydrophobicContact CE1-CB 4.14Å; K182-E192 WeakPolarHBondContact CD-O 3.16Å; K182-E192 WeakPolarHBondContact CE-O 3.29Å; S186-E192 WeakPolarHBondContact CB-OE1 3.29Å; S186-E192 WeakPolarHBondContact OG-CG 3.45Å; S186-E192 PolarHBondContact OG-OE1 3.25Å; S190-E192 PolarHBondContact O-N 3.43Å; S190-E192 WeakPolarHBondContact OG-CG 3.48Å; S190-E192 PolarHBondContact OG-N 3.13Å; E192-F194 HydrophobicContact CG-CE2 4.21Å
193I95.2Very high92.9Very high11 Ų1140.3 Ų40.36%0.05622%0.216CC..EExtended strand (participates in β ladder)trans-134.7155.4168.2-170.8160.7000107.7K157 V158 Y164 A180K157-I193 WeakPolarHBondContact CA-O 3.22Å; V158-I193 HydrophobicContact CB-CG2 4.31Å; V158-I193 PolarHBondContact N-O 3.08Å; V158-I193 WeakPolarHBondContact O-CG2 3.37Å; V158-I193 PolarHBondContact O-N 3.44Å; V158-I193 VanDerWaalsContact O-O 3.05Å; Y164-I193 HydrophobicContact CD2-CG2 4.28Å; Y164-I193 HydrophobicContact CE2-CG2 3.85Å; A180-I193 HydrophobicContact CB-CD1 3.81Å; A180-I193 HydrophobicContact CB-CG1 4.28Å
194F97.2Very high92.7Very high0 Ų047.7 Ų47.70%026%0.255CS..EExtended strand (participates in β ladder)trans-111130.8176.2-67.8-94.7000108.7K31 L35 W58 D117 T156 K157 A180 T181 P183 E192K31-F194 HydrophobicContact CD-CE1 4.32Å; K31-F194 HydrophobicContact CD-CE2 3.82Å; K31-F194 HydrophobicContact CD-CZ 3.45Å; K31-F194 VanDerWaalsContact CD-CZ 3.45Å; L35-F194 HydrophobicContact CD1-CB 3.99Å; L35-F194 HydrophobicContact CD1-CD1 3.97Å; L35-F194 HydrophobicContact CD1-CG 3.91Å; L35-F194 HydrophobicContact CD2-CB 4.26Å; W58-F194 AromaticContact CH2-CD1 3.88Å; W58-F194 HydrophobicContact CH2-CD1 3.88Å; W58-F194 AromaticContact CH2-CE1 3.56Å; W58-F194 HydrophobicContact CH2-CE1 3.56Å; W58-F194 HydrophobicContact CZ2-CD1 4.25Å; W58-F194 AromaticContact CZ2-CE1 3.64Å; W58-F194 HydrophobicContact CZ2-CE1 3.64Å; W58-F194 HydrophobicContact CZ2-CZ 4.39Å; D117-F194 WeakPolarHBondContact OD1-CE1 3.43Å; D117-F194 VanDerWaalsContact OD1-CZ 3.3Å; D117-F194 WeakPolarHBondContact OD1-CZ 3.44Å; T156-F194 WeakPolarHBondContact O-CA 3.43Å; K157-F194 HydrophobicContact CB-CD1 4.07Å; K157-F194 HydrophobicContact CB-CE1 3.62Å; K157-F194 HydrophobicContact CB-CZ 4.09Å; K157-F194 HydrophobicContact CD-CE1 4.16Å; K157-F194 HydrophobicContact CD-CZ 3.86Å; K157-F194 HydrophobicContact CG-CE1 4.21Å; K157-F194 HydrophobicContact CG-CZ 4.16Å; A180-F194 CarbonylContact C-O 3.57Å; A180-F194 WeakPolarHBondContact CA-O 3.41Å; T181-F194 PolarHBondContact N-O 3.24Å; T181-F194 PolarHBondContact O-N 3.46Å; T181-F194 VanDerWaalsContact O-O 3.07Å; P183-F194 HydrophobicContact CG-CD2 3.93Å; P183-F194 HydrophobicContact CG-CE2 4.18Å; E192-F194 HydrophobicContact CG-CE2 4.21Å
195V97.6Very high92.7Very high0 Ų049.4 Ų49.40%026%0.26CS..EExtended strand (participates in β ladder)trans-103.7124.1172.7-170.10000107.4I155 T156 V158 Y164 L168 F171 V178 A180I155-V195 WeakPolarHBondContact CA-O 3.22Å; T156-V195 HydrophobicContact CG2-CB 4.43Å; T156-V195 PolarHBondContact N-O 3.41Å; T156-V195 PolarHBondContact O-N 2.9Å; V158-V195 HydrophobicContact CB-CG2 4.46Å; V158-V195 HydrophobicContact CG2-CG2 3.76Å; Y164-V195 HydrophobicContact CE2-CG2 4.32Å; L168-V195 HydrophobicContact CD1-CG1 3.95Å; L168-V195 HydrophobicContact CD1-CG2 4.44Å; F171-V195 HydrophobicContact CD2-CB 4.47Å; F171-V195 HydrophobicContact CD2-CG1 3.96Å; F171-V195 HydrophobicContact CE2-CB 4.33Å; F171-V195 HydrophobicContact CE2-CG1 4.32Å; F171-V195 HydrophobicContact CE2-CG2 4.45Å; V178-V195 HydrophobicContact CG1-CG1 3.47Å; V178-V195 VanDerWaalsContact CG1-CG1 3.47Å; A180-V195 HydrophobicContact CB-CG2 4.45Å
196V97.7Very high92.6Very high1 Ų152.3 Ų52.31%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-107.8113178.2176.80000107L35 F39 T153 I155 Q179 Q198L35-V196 HydrophobicContact CD2-CG2 4.24Å; F39-V196 HydrophobicContact CD1-CG1 4.13Å; F39-V196 HydrophobicContact CD2-CB 4.43Å; F39-V196 HydrophobicContact CD2-CG1 4.2Å; F39-V196 HydrophobicContact CD2-CG2 3.91Å; F39-V196 HydrophobicContact CE1-CB 4.49Å; F39-V196 HydrophobicContact CE1-CG1 4.31Å; F39-V196 HydrophobicContact CE2-CB 4.18Å; F39-V196 HydrophobicContact CE2-CG1 4.39Å; F39-V196 HydrophobicContact CE2-CG2 3.67Å; F39-V196 HydrophobicContact CG-CG1 4.06Å; F39-V196 HydrophobicContact CZ-CB 4.19Å; F39-V196 HydrophobicContact CZ-CG1 4.43Å; F39-V196 HydrophobicContact CZ-CG2 4.16Å; T153-V196 HydrophobicContact CG2-CG1 4.37Å; I155-V196 HydrophobicContact CD1-CG1 4.21Å; I155-V196 HydrophobicContact CD1-CG2 4.19Å; I155-V196 HydrophobicContact CG1-CB 4.45Å; I155-V196 HydrophobicContact CG1-CG1 4.14Å; I155-V196 HydrophobicContact CG1-CG2 4.16Å; I155-V196 HydrophobicContact CG2-CG2 4.04Å; Q179-V196 PolarHBondContact N-O 3.34Å; Q179-V196 PolarHBondContact O-N 3.14Å; V196-Q198 HydrophobicContact CG1-CG 3.91Å
197C97.9Very high92.6Very high0 Ų055.4 Ų55.40%029%0.291CS..EExtended strand (participates in β ladder)trans-109.9106.7-176.8-46.30000108T153 F154 F175 K177 V178T153-C197 CarbonylContact C-O 3.59Å; T153-C197 WeakPolarHBondContact CA-O 3.45Å; F154-C197 HydrophobicContact CB-CB 4.33Å; F154-C197 PolarHBondContact N-O 2.96Å; F154-C197 PolarHBondContact O-N 3.16Å; F175-C197 HydrophobicContact CB-CB 3.84Å; F175-C197 HydrophobicContact CD1-CB 3.61Å; F175-C197 WeakPolarHBondContact CD1-O 3.37Å; F175-C197 HydrophobicContact CD2-CB 3.63Å; F175-C197 HydrophobicContact CE1-CB 4.02Å; F175-C197 HydrophobicContact CE2-CB 4.06Å; F175-C197 HydrophobicContact CG-CB 3.41Å; F175-C197 VanDerWaalsContact CG-CB 3.41Å; F175-C197 HydrophobicContact CZ-CB 4.26Å; K177-C197 CarbonylContact O-C 3.58Å; K177-C197 WeakPolarHBondContact O-CA 3.2Å; V178-C197 HydrophobicContact CG2-CB 4.34Å
198Q96.8Very high92.6Very high46 Ų4653.6 Ų53.622%0.21529%0.294CS..EExtended strand (participates in β ladder)trans-105.3145.3-176.4-52.1-173.3-77.300110.5T153 K176 K177 V196T153-Q198 HydrophobicContact CG2-CG 4.22Å; K176-Q198 PolarHBondContact N-O 3Å; K177-Q198 HydrophobicContact CB-CB 4.41Å; K177-Q198 PolarHBondContact N-O 3Å; K177-Q198 PolarHBondContact O-N 2.85Å; V196-Q198 HydrophobicContact CG1-CG 3.91Å
199G96.5Very high92.9Very high16 Ų1651.5 Ų51.517%0.16528%0.277CS..EExtended strand (participates in β ladder)trans75.562175.800000112.4G151 G152 K176 V201G151-G199 WeakPolarHBondContact O-CA 3.17Å; G151-G199 PolarHBondContact O-N 2.6Å; G152-G199 PolarHBondContact O-N 2.93Å; G152-G199 VanDerWaalsContact O-N 3.15Å; K176-G199 WeakPolarHBondContact CG-O 3.47Å; K176-G199 PolarHBondContact N-O 3.2Å; G199-V201 PolarHBondContact O-N 3.28Å
200Y97.7Very high93.1Very high8 Ų848 Ų483%0.03126%0.26CS..EExtended strand (participates in β ladder)trans-53.7128.1172.8-177-132.2000111.1C145 L148 T149 G151 G152 F174 F175 A202C145-Y200 VanDerWaalsContact CA-OH 3.26Å; C145-Y200 WeakPolarHBondContact CA-OH 3.46Å; C145-Y200 HydrophobicContact CB-CE2 4.38Å; C145-Y200 WeakPolarHBondContact CB-OH 3.26Å; C145-Y200 PolarHBondContact O-OH 2.95Å; L148-Y200 HydrophobicContact CB-CD1 4.17Å; L148-Y200 HydrophobicContact CB-CE1 4.49Å; L148-Y200 HydrophobicContact CD2-CD1 4.1Å; L148-Y200 HydrophobicContact CD2-CD2 4.44Å; L148-Y200 HydrophobicContact CD2-CG 3.83Å; L148-Y200 HydrophobicContact CG-CD1 4.26Å; L148-Y200 HydrophobicContact CG-CG 4.46Å; T149-Y200 WeakPolarHBondContact O-CD1 3.05Å; G151-Y200 PolarHBondContact N-O 2.86Å; G152-Y200 PolarHBondContact O-N 3.46Å; F174-Y200 HydrophobicContact CB-CD2 4.34Å; F174-Y200 HydrophobicContact CB-CE2 4.15Å; F174-Y200 HydrophobicContact CD1-CE2 4.33Å; F174-Y200 VanDerWaalsContact O-CD2 3.22Å; F174-Y200 WeakPolarHBondContact O-CD2 3.39Å; F175-Y200 HydrophobicContact CD1-CD2 4.34Å; F175-Y200 AromaticContact CE1-CD2 3.93Å; F175-Y200 HydrophobicContact CE1-CD2 3.93Å; F175-Y200 HydrophobicContact CE1-CG 4.15Å; F175-Y200 HydrophobicContact CE2-CD2 4.24Å; F175-Y200 AromaticContact CZ-CD2 3.84Å; F175-Y200 HydrophobicContact CZ-CD2 3.84Å; F175-Y200 HydrophobicContact CZ-CG 4.41Å; Y200-A202 HydrophobicContact CD1-CB 3.89Å; Y200-A202 HydrophobicContact CE1-CB 3.68Å
201V95Very high93.3Very high58 Ų5847.1 Ų47.135%0.35225%0.252SS..  trans-73.1-32.1-175.3176.30000111.5K150 F174 K176 G199K150-V201 VanDerWaalsContact CE-O 3.29Å; K150-V201 WeakPolarHBondContact CE-O 3.34Å; F174-V201 WeakPolarHBondContact O-CG2 3.45Å; F174-V201 PolarHBondContact O-N 2.81Å; K176-V201 HydrophobicContact CG-CG2 4.25Å; G199-V201 PolarHBondContact O-N 3.28Å
202A93.6Very high93.4Very high27 Ų2748.7 Ų48.722%0.22326%0.257CS..  trans5067.5-170.900000112.7K150 Y200K150-A202 HydrophobicContact CB-CB 3.88Å; K150-A202 HydrophobicContact CD-CB 4.18Å; K150-A202 HydrophobicContact CG-CB 3.93Å; Y200-A202 HydrophobicContact CD1-CB 3.89Å; Y200-A202 HydrophobicContact CE1-CB 3.68Å
203P90.9Very high93.4Very high46 Ų4649.3 Ų49.330%0.29926%0.262SS..  trans-72.9141.917631.8-35.3000111.8F174 K205 I206F174-P203 HydrophobicContact CD1-CG 4.39Å; P203-K205 VanDerWaalsContact C-N 3.26Å; P203-K205 PolarHBondContact O-N 3.05Å; P203-I206 HydrophobicContact CG-CD1 4.46Å; P203-I206 HydrophobicContact CG-CG1 3.99Å
204D88.6Confident93.1Very high165 Ų16557.7 Ų57.788%0.88230%0.298SS*.SBendtrans-69.6-21.4-172.5-46.9-74.3000114.1
205K91Very high92.8Very high195 Ų19563 Ų6385%0.84832%0.322SS*.  trans-134.3130.5176.6-64.8179.9-176.8174.60109.3P203P203-K205 VanDerWaalsContact C-N 3.26Å; P203-K205 PolarHBondContact O-N 3.05Å
206I90.9Very high92.4Very high62 Ų6263.7 Ų63.732%0.31833%0.328SS..  trans-121.5128178-55.7174.8000108.6C145 F174 P203 F211C145-I206 HydrophobicContact CB-CD1 4.13Å; F174-I206 HydrophobicContact CE1-CD1 4.03Å; F174-I206 HydrophobicContact CE1-CG1 4.11Å; F174-I206 HydrophobicContact CE1-CG2 3.66Å; F174-I206 HydrophobicContact CZ-CG2 3.68Å; P203-I206 HydrophobicContact CG-CD1 4.46Å; P203-I206 HydrophobicContact CG-CG1 3.99Å; I206-F211 HydrophobicContact CG2-CE2 3.53Å; I206-F211 HydrophobicContact CG2-CZ 3.84Å
207D90.9Very high92.1Very high69 Ų6964.9 Ų64.937%0.36933%0.333SS..  trans-71.8127.7172.8-170.8-9.7000110.3K209 F210D207-K209 PolarHBondContact O-N 3.48Å; D207-K209 VanDerWaalsContact O-N 3.12Å; D207-K209 WeakPolarHBondContact OD1-CG 3.44Å; D207-K209 PolarHBondContact OD1-N 3.14Å; D207-K209 VanDerWaalsContact OD1-N 3.14Å; D207-K209 IonicContact OD1-NZ 3.42Å; D207-K209 PolarHBondContact OD1-NZ 3.43Å; D207-K209 IonicContact OD2-NZ 2.74Å; D207-K209 PolarHBondContact OD2-NZ 3.33Å; D207-F210 HydrophobicContact CB-CD2 3.95Å; D207-F210 HydrophobicContact CB-CE2 4.07Å; D207-F210 WeakPolarHBondContact O-CD2 3.35Å; D207-F210 PolarHBondContact O-N 3.19Å
208S89Confident91.6Very high62 Ų6272.3 Ų72.343%0.43437%0.365SS..G310 helixtrans-55.7-30.9177.8-174.40000112.3F210 F211 D212S208-F210 PolarHBondContact O-N 2.86Å; S208-F211 PolarHBondContact O-N 3.44Å; S208-D212 VanDerWaalsContact C-OD2 3.28Å; S208-D212 PolarHBondContact O-N 2.97Å; S208-D212 VanDerWaalsContact O-OD2 3.06Å; S208-D212 PolarHBondContact OG-OD2 2.93Å
209K90.6Very high90.7Very high106 Ų10676 Ų7646%0.46138%0.382SS..G310 helixtrans-55.9-25.1-178.1-63.2-179.2-148.773.30113.7D207 F211 H215D207-K209 PolarHBondContact O-N 3.48Å; D207-K209 VanDerWaalsContact O-N 3.12Å; D207-K209 WeakPolarHBondContact OD1-CG 3.44Å; D207-K209 PolarHBondContact OD1-N 3.14Å; D207-K209 VanDerWaalsContact OD1-N 3.14Å; D207-K209 IonicContact OD1-NZ 3.42Å; D207-K209 PolarHBondContact OD1-NZ 3.43Å; D207-K209 IonicContact OD2-NZ 2.74Å; D207-K209 PolarHBondContact OD2-NZ 3.33Å; K209-F211 VanDerWaalsContact C-N 3.27Å; K209-F211 PolarHBondContact O-N 2.76Å; K209-H215 HydrophobicContact CB-CB 4.3Å
210F90.5Very high89.4Confident55 Ų5581 Ų8124%0.24141%0.41CS..G310 helixtrans-66.8-26.6174.1-73.8-67.2000113.6W169 I170 Q173 F174 D207 S208W169-F210 AromaticContact CH2-CE1 3.89Å; W169-F210 HydrophobicContact CH2-CE1 3.89Å; W169-F210 HydrophobicContact CZ3-CD1 4.39Å; W169-F210 AromaticContact CZ3-CE1 3.81Å; W169-F210 HydrophobicContact CZ3-CE1 3.81Å; I170-F210 HydrophobicContact CG1-CD1 4.44Å; I170-F210 HydrophobicContact CG2-CD1 4.37Å; Q173-F210 HydrophobicContact CB-CE1 4.47Å; Q173-F210 HydrophobicContact CG-CE1 3.91Å; Q173-F210 HydrophobicContact CG-CZ 4.29Å; F174-F210 HydrophobicContact CE2-CB 4.14Å; F174-F210 HydrophobicContact CE2-CG 4.28Å; F174-F210 HydrophobicContact CZ-CB 4.04Å; F174-F210 HydrophobicContact CZ-CD2 4.15Å; F174-F210 HydrophobicContact CZ-CG 4.11Å; D207-F210 HydrophobicContact CB-CD2 3.95Å; D207-F210 HydrophobicContact CB-CE2 4.07Å; D207-F210 WeakPolarHBondContact O-CD2 3.35Å; D207-F210 PolarHBondContact O-N 3.19Å; S208-F210 PolarHBondContact O-N 2.86Å
211F90.6Very high87.6Confident18 Ų1889.4 Ų89.48%0.07945%0.449CS..THydrogen-bonded Turntrans-98.9-17.1179.8-53.8-60.4000113.1L141 K142 C145 F174 I206 S208 K209 P213L141-F211 HydrophobicContact CD2-CE1 4.28Å; L141-F211 HydrophobicContact CG-CE1 4.19Å; K142-F211 HydrophobicContact CB-CD1 3.7Å; K142-F211 HydrophobicContact CB-CE1 4Å; K142-F211 HydrophobicContact CB-CG 4.04Å; K142-F211 HydrophobicContact CD-CB 4Å; K142-F211 HydrophobicContact CD-CD2 4.26Å; K142-F211 HydrophobicContact CD-CG 4.03Å; K142-F211 HydrophobicContact CG-CB 4.4Å; K142-F211 HydrophobicContact CG-CD1 4.04Å; K142-F211 HydrophobicContact CG-CD2 4.06Å; K142-F211 HydrophobicContact CG-CE1 4.31Å; K142-F211 HydrophobicContact CG-CE2 4.31Å; K142-F211 HydrophobicContact CG-CG 3.9Å; K142-F211 HydrophobicContact CG-CZ 4.44Å; C145-F211 HydrophobicContact CB-CZ 4.14Å; F174-F211 HydrophobicContact CE2-CE1 4.46Å; F174-F211 HydrophobicContact CZ-CE1 4.37Å; F174-F211 HydrophobicContact CZ-CZ 4.1Å; I206-F211 HydrophobicContact CG2-CE2 3.53Å; I206-F211 HydrophobicContact CG2-CZ 3.84Å; S208-F211 PolarHBondContact O-N 3.44Å; K209-F211 VanDerWaalsContact C-N 3.27Å; K209-F211 PolarHBondContact O-N 2.76Å; F211-P213 VanDerWaalsContact O-CD 3.27Å; F211-P213 WeakPolarHBondContact O-CD 3.32Å
212D91.3Very high85.7Confident64 Ų6492.2 Ų92.234%0.34247%0.466SS..  trans-78.2111.7-178.5-70.6-51.3000111S208 K214 H215 A216S208-D212 VanDerWaalsContact C-OD2 3.28Å; S208-D212 PolarHBondContact O-N 2.97Å; S208-D212 VanDerWaalsContact O-OD2 3.06Å; S208-D212 PolarHBondContact OG-OD2 2.93Å; D212-K214 PolarHBondContact O-N 2.89Å; D212-H215 PolarHBondContact O-N 2.92Å; D212-A216 PolarHBondContact O-N 2.94Å
213P91.3Very high83.9Confident27 Ų2798 Ų9818%0.17549%0.488CS..Hα-helixtrans-59.6-27.4-171.6-25.735.2000114.3F131 L138 F211 H215 F217F131-P213 HydrophobicContact CZ-CB 4.42Å; L138-P213 HydrophobicContact CD1-CB 4.43Å; L138-P213 HydrophobicContact CD1-CG 4.3Å; F211-P213 VanDerWaalsContact O-CD 3.27Å; F211-P213 WeakPolarHBondContact O-CD 3.32Å; P213-H215 VanDerWaalsContact C-N 3.28Å; P213-H215 PolarHBondContact O-N 3.13Å; P213-F217 HydrophobicContact CB-CD2 3.95Å; P213-F217 HydrophobicContact CB-CE2 4.14Å; P213-F217 WeakPolarHBondContact O-CB 3.43Å; P213-F217 WeakPolarHBondContact O-CD2 3.29Å; P213-F217 PolarHBondContact O-N 3.31Å
214K90.3Very high82.3Confident187 Ų187100.5 Ų100.581%0.81350%0.503SS*.Hα-helixtrans-65.4-28176-65.5-176.5178.2-178.80113.3D212D212-K214 PolarHBondContact O-N 2.89Å
215H90.4Very high81.2Confident112 Ų11296.7 Ų96.752%0.51948%0.478SS..Hα-helixtrans-96.4-46.9176.7-69.9-69.8000110.7K209 D212 P213 F217 K218K209-H215 HydrophobicContact CB-CB 4.3Å; D212-H215 PolarHBondContact O-N 2.92Å; P213-H215 VanDerWaalsContact C-N 3.28Å; P213-H215 PolarHBondContact O-N 3.13Å; H215-F217 PolarHBondContact O-N 3.19Å; H215-K218 PolarHBondContact O-N 2.93Å; H215-K218 VanDerWaalsContact O-N 3.17Å
216A89.9Confident80.2Confident14 Ų1490.9 Ų90.912%0.11646%0.459CS..Hα-helixtrans-57.7-30.6178.800000114.1L138 P166 I170 D212L138-A216 HydrophobicContact CD1-CB 3.61Å; L138-A216 HydrophobicContact CD2-CB 4.41Å; P166-A216 VanDerWaalsContact CB-O 3.3Å; P166-A216 WeakPolarHBondContact CB-O 3.45Å; I170-A216 HydrophobicContact CD1-CB 3.59Å; D212-A216 PolarHBondContact O-N 2.94Å
217F90.1Very high79Confident26 Ų2689.2 Ų89.211%0.11445%0.452CS..THydrogen-bonded Turntrans-114.319.7178.7-53.6-53.8000113.7F131 A134 L138 D163 P166 L167 P213 H215 E219F131-F217 HydrophobicContact CD2-CD2 4.32Å; F131-F217 HydrophobicContact CE2-CB 4.28Å; F131-F217 AromaticContact CE2-CD2 3.57Å; F131-F217 HydrophobicContact CE2-CD2 3.57Å; F131-F217 HydrophobicContact CE2-CE2 4.27Å; F131-F217 HydrophobicContact CE2-CG 4.17Å; F131-F217 HydrophobicContact CZ-CD2 4.23Å; A134-F217 HydrophobicContact CB-CE1 4.15Å; A134-F217 HydrophobicContact CB-CE2 4.17Å; A134-F217 HydrophobicContact CB-CZ 3.61Å; L138-F217 HydrophobicContact CD1-CD2 4.3Å; L138-F217 HydrophobicContact CD1-CE1 4.49Å; L138-F217 HydrophobicContact CD1-CE2 3.42Å; L138-F217 VanDerWaalsContact CD1-CE2 3.42Å; L138-F217 HydrophobicContact CD1-CZ 3.53Å; L138-F217 HydrophobicContact CG-CE2 4.24Å; L138-F217 HydrophobicContact CG-CZ 3.93Å; D163-F217 HydrophobicContact CB-CD1 3.75Å; D163-F217 HydrophobicContact CB-CE1 3.76Å; P166-F217 HydrophobicContact CB-CD1 4.3Å; L167-F217 HydrophobicContact CD1-CE1 4.44Å; L167-F217 HydrophobicContact CD1-CZ 4.49Å; L167-F217 HydrophobicContact CD2-CZ 4.38Å; L167-F217 HydrophobicContact CG-CE1 3.97Å; L167-F217 HydrophobicContact CG-CZ 4.2Å; P213-F217 HydrophobicContact CB-CD2 3.95Å; P213-F217 HydrophobicContact CB-CE2 4.14Å; P213-F217 WeakPolarHBondContact O-CB 3.43Å; P213-F217 WeakPolarHBondContact O-CD2 3.29Å; P213-F217 PolarHBondContact O-N 3.31Å; H215-F217 PolarHBondContact O-N 3.19Å; F217-E219 PolarHBondContact O-N 3.19Å
218K87.4Confident77.8Confident155 Ų15593.3 Ų93.367%0.67447%0.467SS*.  trans-65126.5172.6-173.8176178.8-178.50109.3H215 V220H215-K218 PolarHBondContact O-N 2.93Å; H215-K218 VanDerWaalsContact O-N 3.17Å; K218-V220 PolarHBondContact O-N 3.01Å
219E77.6Confident76.7Confident123 Ų12396.5 Ų96.558%0.57548%0.475SS*.  trans-68.6130.1176.6-55-158-171.500110.5K162 F217K162-E219 WeakPolarHBondContact CE-OE1 3.24Å; K162-E219 WeakPolarHBondContact CE-OE2 3.43Å; K162-E219 IonicContact NZ-OE1 3.18Å; K162-E219 PolarHBondContact NZ-OE1 3.32Å; K162-E219 IonicContact NZ-OE2 3.85Å; K162-E219 PolarHBondContact NZ-OE2 3.24Å; F217-E219 PolarHBondContact O-N 3.19Å
220V70.7Confident75.6Confident123 Ų12393.3 Ų93.375%0.74546%0.462SS*.  trans-104.1107.9175.7-162.30000107.7K218 V222K218-V220 PolarHBondContact O-N 3.01Å; V220-V222 HydrophobicContact CB-CG2 4.34Å; V220-V222 HydrophobicContact CG1-CG2 3.63Å; V220-V222 PolarHBondContact O-N 3.06Å
221E59.3Low74.5Confident184 Ų18493.2 Ų93.286%0.8647%0.466SS*.  trans-75.557.3-177-63.7-165.3163.900113.1Q223E221-Q223 PolarHBondContact O-N 3.16Å
222V55.5Low73.2Confident116 Ų11695.9 Ų95.970%0.70349%0.492SS*.  trans-81.967.8172.8-162.90000110V220V220-V222 HydrophobicContact CB-CG2 4.34Å; V220-V222 HydrophobicContact CG1-CG2 3.63Å; V220-V222 PolarHBondContact O-N 3.06Å
223Q54.8Low71.6Confident148 Ų14899.5 Ų99.569%0.69252%0.516SS*.  trans-116.294.2168-70-169.412.700109.8E221 K225E221-Q223 PolarHBondContact O-N 3.16Å; Q223-K225 PolarHBondContact O-N 3.41Å
224V57.8Low70.1Confident99 Ų99106.8 Ų106.860%0.655%0.545SS*.  trans-69.896.9164-178.50000107
225K65.3Low68.6Low85 Ų85107.6 Ų107.637%0.3755%0.549SS..  trans-68.1137.9-173.9-63169.1-173.31750109.6Q223 V264 D265 A268Q223-K225 PolarHBondContact O-N 3.41Å; K225-V264 WeakPolarHBondContact O-CB 3.34Å; K225-V264 WeakPolarHBondContact O-CG1 3.44Å; K225-D265 WeakPolarHBondContact CB-OD1 3.41Å; K225-D265 WeakPolarHBondContact CD-OD1 3.24Å; K225-D265 VanDerWaalsContact CG-OD1 3.25Å; K225-D265 WeakPolarHBondContact CG-OD1 3.46Å; K225-D265 PolarHBondContact N-OD1 3.45Å; K225-D265 VanDerWaalsContact N-OD1 3.1Å; K225-A268 HydrophobicContact CD-CB 4.26Å
226T69.4Low67.2Low73 Ų73107.7 Ų107.745%0.44856%0.559SS.*  trans-90.3154.5175.269.90000111.1K228 E229 L230T226-K228 PolarHBondContact O-N 3.03Å; T226-E229 WeakPolarHBondContact CA-OE2 3.45Å; T226-E229 WeakPolarHBondContact CB-OE2 3.47Å; T226-E229 PolarHBondContact N-OE2 2.72Å; T226-E229 PolarHBondContact O-N 3.04Å; T226-E229 PolarHBondContact OG1-OE2 2.69Å; T226-L230 PolarHBondContact O-N 3.17Å
227V65.8Low65.6Low28 Ų28115.5 Ų115.517%0.1759%0.59CS.*THydrogen-bonded Turntrans-59.3-14179.6-169.40000112.9V264 L305 R306 L309V227-V264 HydrophobicContact CG2-CG1 3.92Å; V227-V264 HydrophobicContact CG2-CG2 3.92Å; V227-L305 HydrophobicContact CG1-CB 4.03Å; V227-R306 HydrophobicContact CG1-CG 4.41Å; V227-L309 HydrophobicContact CG1-CD1 4.49Å; V227-L309 HydrophobicContact CG2-CD1 3.58Å
228K67.3Low64Low154 Ų154119.5 Ų119.567%0.6763%0.628SS**THydrogen-bonded Turntrans-79-27.2173.5-169.3-174.9174.6-169.20112.6T226T226-K228 PolarHBondContact O-N 3.03Å
229E65.7Low62.6Low130 Ų130120.2 Ų120.261%0.60763%0.634SS**THydrogen-bonded Turntrans-88.4-19.7-176.7-69.2153.9142.800112.4T226 V231T226-E229 WeakPolarHBondContact CA-OE2 3.45Å; T226-E229 WeakPolarHBondContact CB-OE2 3.47Å; T226-E229 PolarHBondContact N-OE2 2.72Å; T226-E229 PolarHBondContact O-N 3.04Å; T226-E229 PolarHBondContact OG1-OE2 2.69Å; E229-V231 VanDerWaalsContact C-N 3.29Å; E229-V231 PolarHBondContact O-N 3.02Å
230L66.4Low61.7Low38 Ų38117.8 Ų117.820%0.19964%0.642CS.*SBendtrans-62.6-35.2169.7-58.5-168.4000112.7T226 A232 V264 L267 A268 L305T226-L230 PolarHBondContact O-N 3.17Å; L230-A232 PolarHBondContact O-N 3.03Å; L230-V264 HydrophobicContact CD1-CG1 3.65Å; L230-V264 HydrophobicContact CD2-CG1 4.15Å; L230-V264 HydrophobicContact CG-CG1 3.9Å; L230-L267 HydrophobicContact CD1-CB 4.12Å; L230-A268 HydrophobicContact CD2-CB 3.48Å; L230-A268 VanDerWaalsContact CD2-CB 3.48Å; L230-L305 HydrophobicContact CB-CD1 3.94Å; L230-L305 HydrophobicContact CD1-CD1 4.09Å; L230-L305 HydrophobicContact CD1-CD2 4.35Å
231V68.8Low61.3Low53 Ų53119.3 Ų119.332%0.32164%0.635SS.*SBendtrans-84.596.8-177.1-176.40000109.6E229 V233 R302 L305E229-V231 VanDerWaalsContact C-N 3.29Å; E229-V231 PolarHBondContact O-N 3.02Å; V231-V233 PolarHBondContact O-N 3.49Å; V231-R302 HydrophobicContact CG2-CB 4.21Å; V231-L305 HydrophobicContact CG2-CD1 3.99Å
232A62Low61.4Low75 Ų75114.9 Ų114.962%0.6262%0.621SS**  trans-66.499.2-17300000113.4L230 K234L230-A232 PolarHBondContact O-N 3.03Å; A232-K234 PolarHBondContact O-N 3.26Å; A232-K234 VanDerWaalsContact O-N 3.16Å
233V58.6Low61.2Low140 Ų140118 Ų11885%0.84863%0.634SS**SBendtrans-66.2-14.6178.6-176.30000113.2V231V231-V233 PolarHBondContact O-N 3.49Å
234K59Low61.6Low179 Ų179114.2 Ų114.278%0.77863%0.634SS**SBendtrans-144.6154.4172.9-66.1-174.6179.5179.90109A232A232-K234 PolarHBondContact O-N 3.26Å; A232-K234 VanDerWaalsContact O-N 3.16Å
235K59.7Low62Low205 Ų205112.8 Ų112.889%0.89162%0.623SS**PPolyproline II helixtrans-53.5129.6167.6-67.3-168.8177-170.20109
236P60.8Low62Low113 Ų113116.2 Ų116.273%0.73465%0.645SS**PPolyproline II helixtrans-62.8161.7175.127.6-34.4000110.3
237K55.8Low62.2Low179 Ų179116.7 Ų116.778%0.77865%0.648SS**PPolyproline II helixtrans-70.7153.6166.7-67178.6-177.9174.50108.7E239K237-E239 VanDerWaalsContact C-N 3.31Å; K237-E239 PolarHBondContact O-N 3Å
238A55.9Low62.5Low110 Ų110121.8 Ų121.891%0.90967%0.673SS**  trans-70.293.1166.400000108.7
239E59Low63.2Low169 Ų169120.4 Ų120.479%0.7967%0.665SS**PPolyproline II helixtrans-86.6163.6162.9-72.7166.8-174.200108.4K237K237-E239 VanDerWaalsContact C-N 3.31Å; K237-E239 PolarHBondContact O-N 3Å
240G59.3Low64.3Low72 Ų72116.3 Ų116.374%0.74265%0.645SS**PPolyproline II helixtrans-69.6170.5-179.300000112.6
241Y61.8Low65.4Low156 Ų156117.3 Ų117.361%0.61266%0.656SS**PPolyproline II helixtrans-57.4145.1163.2-62.9-86.2000109.8D245 L248Y241-D245 WeakPolarHBondContact CD1-O 3.14Å; Y241-L248 HydrophobicContact CE1-CD1 4.13Å; Y241-L248 HydrophobicContact CE1-CG 3.93Å
242T60.2Low66.5Low91 Ų91117.9 Ų117.956%0.55865%0.654SS**PPolyproline II helixtrans-64.1143.6168.9290000110G244 D245T242-G244 PolarHBondContact O-N 2.9Å; T242-D245 WeakPolarHBondContact CB-OD2 3.3Å; T242-D245 PolarHBondContact O-N 2.7Å; T242-D245 WeakPolarHBondContact OG1-CB 3.41Å; T242-D245 PolarHBondContact OG1-OD2 3.36Å
243D52.8Low68Low181 Ų181116.3 Ų116.397%0.96864%0.637SS**THydrogen-bonded Turntrans-59.299.1-175.5-84-30.2000111.3
244G63.1Low69.5Low68 Ų68109.7 Ų109.770%0.70160%0.597SS**THydrogen-bonded Turntrans119.7-21.3-178.800000115.2T242 L246T242-G244 PolarHBondContact O-N 2.9Å; G244-L246 PolarHBondContact O-N 3.03Å
245D64.9Low70.9Confident69 Ų69103 Ų10337%0.36957%0.571SS.*  trans-95.296.8-173.4-65.5-54.5000112.4Y241 T242 T247Y241-D245 WeakPolarHBondContact CD1-O 3.14Å; T242-D245 WeakPolarHBondContact CB-OD2 3.3Å; T242-D245 PolarHBondContact O-N 2.7Å; T242-D245 WeakPolarHBondContact OG1-CB 3.41Å; T242-D245 PolarHBondContact OG1-OD2 3.36Å; D245-T247 PolarHBondContact O-N 2.84Å
246L65.9Low72.3Confident157 Ų15795 Ų9582%0.82254%0.542SS*.  trans-74.30.3177.6-75.381.8000114.3G244G244-L246 PolarHBondContact O-N 3.03Å
247T72.7Confident73.8Confident84 Ų8489.6 Ų89.652%0.51551%0.507SS..  trans-132.2142.5-17461.50000112.3D245 Y249 H250D245-T247 PolarHBondContact O-N 2.84Å; T247-Y249 PolarHBondContact OG1-O 3.23Å; T247-H250 PolarHBondContact O-CE1 3.38Å
248L72.4Confident75.4Confident135 Ų13581.5 Ų81.571%0.70747%0.473SS*.SBendtrans-89.9-3.8175.7-74.5158.1000113.4Y241 K298Y241-L248 HydrophobicContact CE1-CD1 4.13Å; Y241-L248 HydrophobicContact CE1-CG 3.93Å; L248-K298 PolarHBondContact O-NZ 3.49Å
249Y83.5Confident77Confident125 Ų12584.3 Ų84.349%0.4947%0.465SS..  trans-113124.5-178.8-174.4-86.4000109.4T247 S271 E272T247-Y249 PolarHBondContact OG1-O 3.23Å; Y249-S271 WeakPolarHBondContact CD2-OG 3.44Å; Y249-E272 WeakPolarHBondContact OH-CB 3.41Å; Y249-E272 VanDerWaalsContact OH-CD 3.27Å; Y249-E272 PolarHBondContact OH-OE2 2.81Å
250H87.5Confident78.3Confident43 Ų4377.3 Ų77.320%0.19944%0.435CS..  trans-127.7108.8179.8-52.7-35.5000109T247 F252 K269 S271 E272T247-H250 PolarHBondContact O-CE1 3.38Å; H250-F252 HydrophobicContact CB-CD2 4.16Å; H250-F252 HydrophobicContact CB-CE2 3.5Å; H250-F252 HydrophobicContact CB-CZ 4.06Å; H250-K269 PolarHBondContact CD2-O 3.1Å; H250-K269 VanDerWaalsContact CD2-O 3.29Å; H250-S271 PolarHBondContact N-OG 2.87Å; H250-S271 PolarHBondContact O-N 2.95Å; H250-E272 PolarHBondContact O-N 3.32Å
251S90.1Very high79.5Confident59 Ų5982.4 Ų82.441%0.41344%0.44SS..EExtended strand (participates in β ladder)trans-88.8118.1166.9570000109E272S251-E272 VanDerWaalsContact CB-OE2 3.23Å; S251-E272 WeakPolarHBondContact CB-OE2 3.42Å
252F91.7Very high80.7Confident65 Ų6578.5 Ų78.529%0.28543%0.43SS..EExtended strand (participates in β ladder)trans-106.3-180170.7-65.7-82.4000110.2H250 F266 K269 A270 E272 I273 K274H250-F252 HydrophobicContact CB-CD2 4.16Å; H250-F252 HydrophobicContact CB-CE2 3.5Å; H250-F252 HydrophobicContact CB-CZ 4.06Å; F252-F266 HydrophobicContact CB-CE1 3.91Å; F252-F266 HydrophobicContact CB-CE2 4.43Å; F252-F266 HydrophobicContact CB-CZ 3.51Å; F252-F266 HydrophobicContact CD1-CE2 4.33Å; F252-F266 HydrophobicContact CD1-CZ 4.19Å; F252-F266 HydrophobicContact CD2-CE1 4.43Å; F252-F266 HydrophobicContact CD2-CZ 4.4Å; F252-F266 HydrophobicContact CG-CE1 4.22Å; F252-F266 HydrophobicContact CG-CE2 4.34Å; F252-F266 AromaticContact CG-CZ 3.8Å; F252-F266 HydrophobicContact CG-CZ 3.8Å; F252-K269 HydrophobicContact CE2-CB 4.11Å; F252-K269 HydrophobicContact CZ-CB 4.43Å; F252-A270 HydrophobicContact CD2-CB 3.74Å; F252-A270 HydrophobicContact CE2-CB 4.28Å; F252-E272 PolarHBondContact N-O 3.36Å; F252-I273 CarbonylContact O-C 3.59Å; F252-I273 WeakPolarHBondContact O-CA 3.5Å; F252-K274 PolarHBondContact O-N 3.12Å
253T93Very high82Confident43 Ų4375.3 Ų75.326%0.26441%0.41SS..EExtended strand (participates in β ladder)trans-110.4158178.272.50000112.6T255 A256 F257 K274 D276T253-T255 VanDerWaalsContact C-N 3.26Å; T253-T255 PolarHBondContact O-N 3.29Å; T253-T255 PolarHBondContact OG1-OG1 2.9Å; T253-A256 PolarHBondContact O-N 3.31Å; T253-A256 WeakPolarHBondContact OG1-CB 3.39Å; T253-A256 PolarHBondContact OG1-N 2.82Å; T253-A256 VanDerWaalsContact OG1-N 3.09Å; T253-F257 PolarHBondContact O-N 3.16Å; T253-K274 CarbonylContact C-O 3.57Å; T253-K274 WeakPolarHBondContact CA-O 3.42Å; T253-D276 WeakPolarHBondContact CB-OD1 3.44Å; T253-D276 WeakPolarHBondContact CB-OD2 3.41Å; T253-D276 WeakPolarHBondContact CG2-OD1 3.42Å; T253-D276 PolarHBondContact OG1-OD2 3.24Å
254V90.7Very high83.5Confident1 Ų167.9 Ų67.91%0.00637%0.371CS..Hα-helixtrans-59.2-40.3172.2172.90000110.3A256 F257 L258 I273 K274 F275 L280 W311V254-A256 VanDerWaalsContact C-N 3.33Å; V254-A256 PolarHBondContact O-N 3Å; V254-F257 PolarHBondContact O-N 3.35Å; V254-L258 HydrophobicContact CG1-CD1 4.02Å; V254-L258 HydrophobicContact CG1-CG 4.13Å; V254-L258 VanDerWaalsContact O-CG 3.32Å; V254-L258 WeakPolarHBondContact O-CG 3.25Å; V254-L258 PolarHBondContact O-N 3.26Å; V254-I273 HydrophobicContact CB-CG2 4.27Å; V254-I273 HydrophobicContact CG2-CG2 3.41Å; V254-I273 VanDerWaalsContact CG2-CG2 3.41Å; V254-K274 WeakPolarHBondContact CG2-O 3.02Å; V254-K274 PolarHBondContact N-O 3.22Å; V254-F275 HydrophobicContact CG2-CD1 3.74Å; V254-F275 HydrophobicContact CG2-CD2 4.34Å; V254-F275 HydrophobicContact CG2-CE1 3.91Å; V254-F275 HydrophobicContact CG2-CE2 4.49Å; V254-F275 HydrophobicContact CG2-CG 3.96Å; V254-F275 HydrophobicContact CG2-CZ 4.28Å; V254-L280 HydrophobicContact CG1-CD1 3.98Å; V254-W311 HydrophobicContact CG1-CH2 4.12Å; V254-W311 HydrophobicContact CG2-CH2 4.05Å
255T88.2Confident84.6Confident39 Ų3966 Ų6624%0.23935%0.345CS..Hα-helixtrans-63.8-38.9179.660.30000112T253 K259 D276 L280T253-T255 VanDerWaalsContact C-N 3.26Å; T253-T255 PolarHBondContact O-N 3.29Å; T253-T255 PolarHBondContact OG1-OG1 2.9Å; T255-K259 WeakPolarHBondContact O-CG 3.42Å; T255-K259 PolarHBondContact O-N 2.87Å; T255-K259 VanDerWaalsContact O-N 3.12Å; T255-D276 WeakPolarHBondContact CB-OD2 3.15Å; T255-D276 HydrophobicContact CG2-CB 4.24Å; T255-D276 WeakPolarHBondContact CG2-OD2 3.35Å; T255-D276 PolarHBondContact OG1-OD2 3.13Å; T255-L280 HydrophobicContact CG2-CD1 4.47Å
256A89.8Confident85.7Confident35 Ų3564 Ų6429%0.28933%0.333SS..Hα-helixtrans-65.4-43.9172.200000112.1T253 V254 L258 K259 A260 F266T253-A256 PolarHBondContact O-N 3.31Å; T253-A256 WeakPolarHBondContact OG1-CB 3.39Å; T253-A256 PolarHBondContact OG1-N 2.82Å; T253-A256 VanDerWaalsContact OG1-N 3.09Å; V254-A256 VanDerWaalsContact C-N 3.33Å; V254-A256 PolarHBondContact O-N 3Å; A256-L258 PolarHBondContact O-N 3.29Å; A256-K259 PolarHBondContact O-N 3.33Å; A256-A260 PolarHBondContact O-N 3.12Å; A256-F266 HydrophobicContact CB-CE2 4.05Å; A256-F266 HydrophobicContact CB-CZ 4.03Å
257F91.2Very high86.8Confident0 Ų056.9 Ų56.90%030%0.296CS..Hα-helixtrans-61.6-41.2177.6179.1-133.6000112.3T253 V254 P263 F266 L267 I273 W311 R312T253-F257 PolarHBondContact O-N 3.16Å; V254-F257 PolarHBondContact O-N 3.35Å; F257-P263 HydrophobicContact CE2-CB 3.87Å; F257-F266 VanDerWaalsContact CA-CZ 3.46Å; F257-F266 HydrophobicContact CB-CD1 4.18Å; F257-F266 HydrophobicContact CB-CE1 3.55Å; F257-F266 HydrophobicContact CB-CZ 3.75Å; F257-F266 AromaticContact CD2-CD1 3.47Å; F257-F266 HydrophobicContact CD2-CD1 3.47Å; F257-F266 VanDerWaalsContact CD2-CD1 3.47Å; F257-F266 AromaticContact CD2-CE1 3.76Å; F257-F266 HydrophobicContact CD2-CE1 3.76Å; F257-F266 HydrophobicContact CD2-CG 4.06Å; F257-F266 HydrophobicContact CE2-CD1 4.26Å; F257-F266 HydrophobicContact CG-CD1 4.2Å; F257-F266 HydrophobicContact CG-CE1 4.01Å; F257-L267 HydrophobicContact CE2-CD1 4.13Å; F257-L267 HydrophobicContact CE2-CD2 4.02Å; F257-L267 HydrophobicContact CE2-CG 3.83Å; F257-L267 HydrophobicContact CZ-CD1 4.1Å; F257-L267 HydrophobicContact CZ-CD2 4.11Å; F257-L267 HydrophobicContact CZ-CG 4.17Å; F257-I273 HydrophobicContact CB-CD1 4.08Å; F257-I273 HydrophobicContact CD1-CD1 3.99Å; F257-I273 HydrophobicContact CD2-CD1 4.25Å; F257-I273 HydrophobicContact CE1-CD1 4.47Å; F257-I273 HydrophobicContact CG-CD1 3.86Å; F257-W311 AromaticContact CD1-CZ3 3.99Å; F257-W311 HydrophobicContact CD1-CZ3 3.99Å; F257-W311 HydrophobicContact CE1-CE3 4.1Å; F257-W311 AromaticContact CE1-CZ3 3.85Å; F257-W311 HydrophobicContact CE1-CZ3 3.85Å; F257-R312 HydrophobicContact CE1-CB 3.88Å; F257-R312 HydrophobicContact CE1-CG 4.37Å; F257-R312 HydrophobicContact CZ-CB 4.14Å; F257-R312 HydrophobicContact CZ-CG 4.48Å; F257-R312 PolarHBondContact O-NE 2.96Å; F257-R312 PolarHBondContact O-NH2 3.21Å
258L89.3Confident87.4Confident9 Ų954.7 Ų54.75%0.04729%0.287CS..Hα-helixtrans-65.5-40.7176.2-65.4-178000111.4V254 A256 L280 R312 L315 R316 L319V254-L258 HydrophobicContact CG1-CD1 4.02Å; V254-L258 HydrophobicContact CG1-CG 4.13Å; V254-L258 VanDerWaalsContact O-CG 3.32Å; V254-L258 WeakPolarHBondContact O-CG 3.25Å; V254-L258 PolarHBondContact O-N 3.26Å; A256-L258 PolarHBondContact O-N 3.29Å; L258-L280 HydrophobicContact CD1-CD1 3.97Å; L258-R312 HydrophobicContact CD2-CB 4.31Å; L258-R312 HydrophobicContact CD2-CG 3.91Å; L258-R312 PolarHBondContact O-NH2 2.85Å; L258-L315 HydrophobicContact CD1-CB 4.23Å; L258-L315 HydrophobicContact CD1-CD1 4.23Å; L258-L315 HydrophobicContact CD2-CB 3.9Å; L258-L315 HydrophobicContact CD2-CD1 4.25Å; L258-R316 HydrophobicContact CD2-CG 4.27Å; L258-R316 WeakPolarHBondContact O-CD 3.2Å; L258-R316 PolarHBondContact O-NH1 3.05Å; L258-L319 HydrophobicContact CD1-CD1 3.68Å
259K89.1Confident88.1Confident170 Ų17054.5 Ų54.574%0.73928%0.28SS*.Hα-helixtrans-71.3-34.2179.2-73.1177.8179.4-177.70114.5T255 A256T255-K259 WeakPolarHBondContact O-CG 3.42Å; T255-K259 PolarHBondContact O-N 2.87Å; T255-K259 VanDerWaalsContact O-N 3.12Å; A256-K259 PolarHBondContact O-N 3.33Å
260A87.6Confident88.4Confident21 Ų2148.5 Ų48.517%0.17426%0.257CS..  trans-53.9137.2-172.700000114.9A256 F266 R312A256-A260 PolarHBondContact O-N 3.12Å; A260-F266 HydrophobicContact CB-CB 4.3Å; A260-F266 HydrophobicContact CB-CD2 3.54Å; A260-F266 HydrophobicContact CB-CE2 4.13Å; A260-F266 HydrophobicContact CB-CG 4.18Å; A260-R312 PolarHBondContact O-NH2 2.82Å
261E83.9Confident88.5Confident180 Ų18046.9 Ų46.984%0.84125%0.25SC*.SBendtrans-65.6-60-179.9-65.2175179.400111.7P263E261-P263 WeakPolarHBondContact O-CD 3.37Å
262N86.4Confident88.6Confident74 Ų7445.9 Ų45.940%0.39624%0.239SC..  trans-94.498175.5-72.2-3.3000111V264 D265 F266N262-V264 PolarHBondContact O-N 3.02Å; N262-D265 HydrophobicContact CB-CB 4.02Å; N262-D265 WeakPolarHBondContact CB-OD2 3.29Å; N262-D265 PolarHBondContact ND2-OD2 2.97Å; N262-D265 PolarHBondContact O-N 3.1Å; N262-F266 PolarHBondContact O-N 3.07Å; N262-F266 VanDerWaalsContact O-N 3.15Å
263P87.6Confident88.7Confident23 Ų2343 Ų4315%0.14923%0.226CC..Hα-helixtrans-71-19.8-179.132.2-39.3000113.1F257 E261 L267 L309F257-P263 HydrophobicContact CE2-CB 3.87Å; E261-P263 WeakPolarHBondContact O-CD 3.37Å; P263-L267 VanDerWaalsContact O-CG 3.3Å; P263-L267 WeakPolarHBondContact O-CG 3.47Å; P263-L267 PolarHBondContact O-N 3.07Å; P263-L309 HydrophobicContact CB-CD2 3.58Å; P263-L309 HydrophobicContact CG-CD2 3.61Å
264V86.1Confident88.6Confident25 Ų2545.8 Ų45.815%0.15224%0.235CC..Hα-helixtrans-76-42.9178.9-166.70000110.5K225 V227 L230 N262 F266 L267 A268 L309K225-V264 WeakPolarHBondContact O-CB 3.34Å; K225-V264 WeakPolarHBondContact O-CG1 3.44Å; V227-V264 HydrophobicContact CG2-CG1 3.92Å; V227-V264 HydrophobicContact CG2-CG2 3.92Å; L230-V264 HydrophobicContact CD1-CG1 3.65Å; L230-V264 HydrophobicContact CD2-CG1 4.15Å; L230-V264 HydrophobicContact CG-CG1 3.9Å; N262-V264 PolarHBondContact O-N 3.02Å; V264-F266 VanDerWaalsContact C-N 3.3Å; V264-F266 PolarHBondContact O-N 3.28Å; V264-L267 PolarHBondContact O-N 3.46Å; V264-A268 PolarHBondContact O-N 3.39Å; V264-L309 HydrophobicContact CG2-CD1 4.31Å
265D84.6Confident88.5Confident29 Ų2948 Ų4816%0.15524%0.244CC..Hα-helixtrans-67.6-31.5173.3-61.8-45.7000111.9K225 N262 A268 K269K225-D265 WeakPolarHBondContact CB-OD1 3.41Å; K225-D265 WeakPolarHBondContact CD-OD1 3.24Å; K225-D265 VanDerWaalsContact CG-OD1 3.25Å; K225-D265 WeakPolarHBondContact CG-OD1 3.46Å; K225-D265 PolarHBondContact N-OD1 3.45Å; K225-D265 VanDerWaalsContact N-OD1 3.1Å; N262-D265 HydrophobicContact CB-CB 4.02Å; N262-D265 WeakPolarHBondContact CB-OD2 3.29Å; N262-D265 PolarHBondContact ND2-OD2 2.97Å; N262-D265 PolarHBondContact O-N 3.1Å; D265-A268 WeakPolarHBondContact O-CB 3.41Å; D265-A268 PolarHBondContact O-N 3.37Å; D265-K269 PolarHBondContact O-N 3.47Å
266F88.8Confident88.4Confident27 Ų2749.4 Ų49.412%0.11825%0.25CS..Hα-helixtrans-63.6-50.8172-170.4-78.6000111.7F252 A256 F257 A260 N262 V264 A268 K269 A270 I273F252-F266 HydrophobicContact CB-CE1 3.91Å; F252-F266 HydrophobicContact CB-CE2 4.43Å; F252-F266 HydrophobicContact CB-CZ 3.51Å; F252-F266 HydrophobicContact CD1-CE2 4.33Å; F252-F266 HydrophobicContact CD1-CZ 4.19Å; F252-F266 HydrophobicContact CD2-CE1 4.43Å; F252-F266 HydrophobicContact CD2-CZ 4.4Å; F252-F266 HydrophobicContact CG-CE1 4.22Å; F252-F266 HydrophobicContact CG-CE2 4.34Å; F252-F266 AromaticContact CG-CZ 3.8Å; F252-F266 HydrophobicContact CG-CZ 3.8Å; A256-F266 HydrophobicContact CB-CE2 4.05Å; A256-F266 HydrophobicContact CB-CZ 4.03Å; F257-F266 VanDerWaalsContact CA-CZ 3.46Å; F257-F266 HydrophobicContact CB-CD1 4.18Å; F257-F266 HydrophobicContact CB-CE1 3.55Å; F257-F266 HydrophobicContact CB-CZ 3.75Å; F257-F266 AromaticContact CD2-CD1 3.47Å; F257-F266 HydrophobicContact CD2-CD1 3.47Å; F257-F266 VanDerWaalsContact CD2-CD1 3.47Å; F257-F266 AromaticContact CD2-CE1 3.76Å; F257-F266 HydrophobicContact CD2-CE1 3.76Å; F257-F266 HydrophobicContact CD2-CG 4.06Å; F257-F266 HydrophobicContact CE2-CD1 4.26Å; F257-F266 HydrophobicContact CG-CD1 4.2Å; F257-F266 HydrophobicContact CG-CE1 4.01Å; A260-F266 HydrophobicContact CB-CB 4.3Å; A260-F266 HydrophobicContact CB-CD2 3.54Å; A260-F266 HydrophobicContact CB-CE2 4.13Å; A260-F266 HydrophobicContact CB-CG 4.18Å; N262-F266 PolarHBondContact O-N 3.07Å; N262-F266 VanDerWaalsContact O-N 3.15Å; V264-F266 VanDerWaalsContact C-N 3.3Å; V264-F266 PolarHBondContact O-N 3.28Å; F266-A268 PolarHBondContact O-N 2.89Å; F266-K269 PolarHBondContact O-N 3.17Å; F266-A270 HydrophobicContact CE1-CB 4.5Å; F266-A270 PolarHBondContact O-N 3.01Å; F266-I273 HydrophobicContact CD1-CD1 4.45Å; F266-I273 HydrophobicContact CE1-CD1 3.93Å; F266-I273 HydrophobicContact CE1-CG1 4.14Å
267L89.1Confident88.1Confident7 Ų751.4 Ų51.44%0.03726%0.256CS..Hα-helixtrans-63.6-23.5175.5-70.2169.5000112.7L230 F257 P263 V264 K269 I273 I297 L305 L308 L309L230-L267 HydrophobicContact CD1-CB 4.12Å; F257-L267 HydrophobicContact CE2-CD1 4.13Å; F257-L267 HydrophobicContact CE2-CD2 4.02Å; F257-L267 HydrophobicContact CE2-CG 3.83Å; F257-L267 HydrophobicContact CZ-CD1 4.1Å; F257-L267 HydrophobicContact CZ-CD2 4.11Å; F257-L267 HydrophobicContact CZ-CG 4.17Å; P263-L267 VanDerWaalsContact O-CG 3.3Å; P263-L267 WeakPolarHBondContact O-CG 3.47Å; P263-L267 PolarHBondContact O-N 3.07Å; V264-L267 PolarHBondContact O-N 3.46Å; L267-K269 VanDerWaalsContact C-N 3.33Å; L267-I273 HydrophobicContact CD2-CD1 4.05Å; L267-I297 HydrophobicContact CB-CG2 4.37Å; L267-I297 HydrophobicContact CD2-CD1 4.27Å; L267-I297 HydrophobicContact CD2-CG2 3.85Å; L267-L305 HydrophobicContact CB-CD2 4.39Å; L267-L305 HydrophobicContact CD1-CD2 4.22Å; L267-L308 HydrophobicContact CD2-CD1 4.04Å; L267-L309 HydrophobicContact CD1-CD2 4.03Å; L267-L309 HydrophobicContact CD1-CG 4.09Å
268A85.6Confident87.6Confident39 Ų3955.9 Ų55.932%0.32229%0.286SS..Hα-helixtrans-68.9-29.7171.900000113.4K225 L230 V264 D265 F266K225-A268 HydrophobicContact CD-CB 4.26Å; L230-A268 HydrophobicContact CD2-CB 3.48Å; L230-A268 VanDerWaalsContact CD2-CB 3.48Å; V264-A268 PolarHBondContact O-N 3.39Å; D265-A268 WeakPolarHBondContact O-CB 3.41Å; D265-A268 PolarHBondContact O-N 3.37Å; F266-A268 PolarHBondContact O-N 2.89Å
269K85.9Confident87.1Confident130 Ų13061.7 Ų61.757%0.56532%0.316SS*.Hα-helixtrans-90.8-41.7-179-67.1-175.4178.4-167.30111.7H250 F252 D265 F266 L267H250-K269 PolarHBondContact CD2-O 3.1Å; H250-K269 VanDerWaalsContact CD2-O 3.29Å; F252-K269 HydrophobicContact CE2-CB 4.11Å; F252-K269 HydrophobicContact CZ-CB 4.43Å; D265-K269 PolarHBondContact O-N 3.47Å; F266-K269 PolarHBondContact O-N 3.17Å; L267-K269 VanDerWaalsContact C-N 3.33Å
270A89.4Confident86.6Confident0 Ų053.9 Ų53.90%028%0.282CS..  trans-59.9134.9-17700000113F252 F266 I273 I297 K298F252-A270 HydrophobicContact CD2-CB 3.74Å; F252-A270 HydrophobicContact CE2-CB 4.28Å; F266-A270 HydrophobicContact CE1-CB 4.5Å; F266-A270 PolarHBondContact O-N 3.01Å; A270-I273 HydrophobicContact CB-CG1 4.44Å; A270-I297 HydrophobicContact CB-CD1 3.68Å; A270-K298 WeakPolarHBondContact O-CE 3.4Å
271S90.8Very high86.4Confident8 Ų856.7 Ų56.76%0.05629%0.292CS..SBendtrans-88.4-43.3156.3-62.70000110.3Y249 H250 I297 K298Y249-S271 WeakPolarHBondContact CD2-OG 3.44Å; H250-S271 PolarHBondContact N-OG 2.87Å; H250-S271 PolarHBondContact O-N 2.95Å; S271-I297 PolarHBondContact O-N 3.03Å; S271-K298 PolarHBondContact OG-NZ 3.11Å
272E92.2Very high86.3Confident39 Ų3952.7 Ų52.718%0.18228%0.284CS..EExtended strand (participates in β ladder)trans-138.4146.6-170.2177-170.9-162.800109.4Y249 H250 S251 F252 K274 C294Y249-E272 WeakPolarHBondContact OH-CB 3.41Å; Y249-E272 VanDerWaalsContact OH-CD 3.27Å; Y249-E272 PolarHBondContact OH-OE2 2.81Å; H250-E272 PolarHBondContact O-N 3.32Å; S251-E272 VanDerWaalsContact CB-OE2 3.23Å; S251-E272 WeakPolarHBondContact CB-OE2 3.42Å; F252-E272 PolarHBondContact N-O 3.36Å; E272-K274 HydrophobicContact CG-CG 4.17Å; E272-K274 WeakPolarHBondContact OE1-CE 3.34Å; E272-K274 IonicContact OE1-NZ 3.86Å; E272-K274 WeakPolarHBondContact OE2-CE 3.4Å; E272-K274 IonicContact OE2-NZ 2.87Å; E272-C294 CarbonylContact C-O 3.59Å; E272-C294 WeakPolarHBondContact CA-O 3.49Å
273I92.9Very high86.2Confident4 Ų450.8 Ų50.82%0.02127%0.272CS..EExtended strand (participates in β ladder)trans-121.9113.1170.7-77.6169.8000109F252 V254 F257 F266 L267 A270 C294 I297F252-I273 CarbonylContact O-C 3.59Å; F252-I273 WeakPolarHBondContact O-CA 3.5Å; V254-I273 HydrophobicContact CB-CG2 4.27Å; V254-I273 HydrophobicContact CG2-CG2 3.41Å; V254-I273 VanDerWaalsContact CG2-CG2 3.41Å; F257-I273 HydrophobicContact CB-CD1 4.08Å; F257-I273 HydrophobicContact CD1-CD1 3.99Å; F257-I273 HydrophobicContact CD2-CD1 4.25Å; F257-I273 HydrophobicContact CE1-CD1 4.47Å; F257-I273 HydrophobicContact CG-CD1 3.86Å; F266-I273 HydrophobicContact CD1-CD1 4.45Å; F266-I273 HydrophobicContact CE1-CD1 3.93Å; F266-I273 HydrophobicContact CE1-CG1 4.14Å; L267-I273 HydrophobicContact CD2-CD1 4.05Å; A270-I273 HydrophobicContact CB-CG1 4.44Å; I273-C294 HydrophobicContact CB-CB 4.15Å; I273-C294 HydrophobicContact CG2-CB 4.39Å; I273-C294 PolarHBondContact N-O 3.16Å; I273-C294 WeakPolarHBondContact O-CB 3.46Å; I273-I297 HydrophobicContact CB-CD1 4.02Å; I273-I297 HydrophobicContact CD1-CD1 3.49Å; I273-I297 VanDerWaalsContact CD1-CD1 3.49Å; I273-I297 HydrophobicContact CG1-CD1 3.48Å; I273-I297 VanDerWaalsContact CG1-CD1 3.48Å
274K91.4Very high85.9Confident101 Ų10155.4 Ų55.444%0.43931%0.305SS..EExtended strand (participates in β ladder)trans-89.3143.5179.1-64.3-172.7176.8179.80112.3F252 T253 V254 E272F252-K274 PolarHBondContact O-N 3.12Å; T253-K274 CarbonylContact C-O 3.57Å; T253-K274 WeakPolarHBondContact CA-O 3.42Å; V254-K274 WeakPolarHBondContact CG2-O 3.02Å; V254-K274 PolarHBondContact N-O 3.22Å; E272-K274 HydrophobicContact CG-CG 4.17Å; E272-K274 WeakPolarHBondContact OE1-CE 3.34Å; E272-K274 IonicContact OE1-NZ 3.86Å; E272-K274 WeakPolarHBondContact OE2-CE 3.4Å; E272-K274 IonicContact OE2-NZ 2.87Å
275F88.3Confident85.8Confident47 Ų4755.2 Ų55.221%0.20631%0.306CS..  trans-87.1109177.5-69.8-98000110.2V254 E281 T286 K291 C294 W311V254-F275 HydrophobicContact CG2-CD1 3.74Å; V254-F275 HydrophobicContact CG2-CD2 4.34Å; V254-F275 HydrophobicContact CG2-CE1 3.91Å; V254-F275 HydrophobicContact CG2-CE2 4.49Å; V254-F275 HydrophobicContact CG2-CG 3.96Å; V254-F275 HydrophobicContact CG2-CZ 4.28Å; F275-E281 HydrophobicContact CB-CB 4.4Å; F275-E281 HydrophobicContact CD1-CB 4.04Å; F275-E281 HydrophobicContact CD1-CG 4.4Å; F275-E281 HydrophobicContact CG-CB 4.44Å; F275-T286 HydrophobicContact CE1-CG2 3.88Å; F275-T286 HydrophobicContact CZ-CG2 4.44Å; F275-K291 HydrophobicContact CE2-CG 4.34Å; F275-K291 HydrophobicContact CZ-CG 4.17Å; F275-C294 HydrophobicContact CE2-CB 3.93Å; F275-C294 HydrophobicContact CZ-CB 4.4Å; F275-W311 HydrophobicContact CE1-CH2 4.18Å; F275-W311 AromaticContact CE1-CZ2 3.94Å; F275-W311 HydrophobicContact CE1-CZ2 3.94Å; F275-W311 HydrophobicContact CZ-CH2 4.23Å; F275-W311 HydrophobicContact CZ-CZ2 4.26Å
276D86.3Confident85.9Confident69 Ų6954.5 Ų54.537%0.36930%0.303SS..  trans-78.3-36.7178.2-47.5-36.4000112.6T253 T255T253-D276 WeakPolarHBondContact CB-OD1 3.44Å; T253-D276 WeakPolarHBondContact CB-OD2 3.41Å; T253-D276 WeakPolarHBondContact CG2-OD1 3.42Å; T253-D276 PolarHBondContact OG1-OD2 3.24Å; T255-D276 WeakPolarHBondContact CB-OD2 3.15Å; T255-D276 HydrophobicContact CG2-CB 4.24Å; T255-D276 WeakPolarHBondContact CG2-OD2 3.35Å; T255-D276 PolarHBondContact OG1-OD2 3.13Å
277N82.6Confident85.9Confident77 Ų7755.2 Ų55.241%0.41231%0.311SS..  trans-114.9121.4-164.7-72-13.8000110.5L279 L280 E281N277-L279 PolarHBondContact O-N 3.25Å; N277-L280 HydrophobicContact CB-CB 4.29Å; N277-L280 HydrophobicContact CB-CD1 4.14Å; N277-L280 HydrophobicContact CB-CG 4.07Å; N277-L280 PolarHBondContact O-N 3.14Å; N277-E281 PolarHBondContact O-N 3.17Å
278P81Confident85.8Confident95 Ų9560.5 Ų60.562%0.61734%0.34SS*.Hα-helixtrans-62.6-27.5179.624.7-33.8000112.8L280 E281 S282P278-L280 VanDerWaalsContact C-N 3.27Å; P278-L280 PolarHBondContact O-N 3.19Å; P278-E281 PolarHBondContact O-N 3.2Å; P278-S282 WeakPolarHBondContact O-CB 3.46Å; P278-S282 PolarHBondContact O-N 3.07Å; P278-S282 PolarHBondContact O-OG 3.42Å
279L78.8Confident85.9Confident130 Ų13064.6 Ų64.668%0.68135%0.352SS*.Hα-helixtrans-65.7-24.7173.1-63.4176.8000113.9N277N277-L279 PolarHBondContact O-N 3.25Å
280L79.6Confident86.1Confident7 Ų758.7 Ų58.74%0.03733%0.327CS..Hα-helixtrans-91.4-18.6174.4-65.3-179.5000112.4V254 T255 L258 N277 P278 T286 L315 L319V254-L280 HydrophobicContact CG1-CD1 3.98Å; T255-L280 HydrophobicContact CG2-CD1 4.47Å; L258-L280 HydrophobicContact CD1-CD1 3.97Å; N277-L280 HydrophobicContact CB-CB 4.29Å; N277-L280 HydrophobicContact CB-CD1 4.14Å; N277-L280 HydrophobicContact CB-CG 4.07Å; N277-L280 PolarHBondContact O-N 3.14Å; P278-L280 VanDerWaalsContact C-N 3.27Å; P278-L280 PolarHBondContact O-N 3.19Å; L280-T286 VanDerWaalsContact O-CG2 3.31Å; L280-T286 WeakPolarHBondContact O-CG2 3.45Å; L280-T286 PolarHBondContact O-OG1 2.62Å; L280-L315 HydrophobicContact CD2-CD1 4.48Å; L280-L315 HydrophobicContact CD2-CD2 4.33Å; L280-L319 HydrophobicContact CD2-CD1 4.48Å; L280-L319 HydrophobicContact CD2-CD2 4.28Å
281E83.3Confident86.1Confident80 Ų8061.4 Ų61.437%0.37434%0.339SS..Hα-helixtrans-86.3-31.6178-177.5175.3-179.800113.1F275 N277 P278 T286 K291F275-E281 HydrophobicContact CB-CB 4.4Å; F275-E281 HydrophobicContact CD1-CB 4.04Å; F275-E281 HydrophobicContact CD1-CG 4.4Å; F275-E281 HydrophobicContact CG-CB 4.44Å; N277-E281 PolarHBondContact O-N 3.17Å; P278-E281 PolarHBondContact O-N 3.2Å; E281-T286 PolarHBondContact O-OG1 3.2Å; E281-K291 HydrophobicContact CG-CD 4.48Å; E281-K291 WeakPolarHBondContact O-CE 3.41Å; E281-K291 IonicContact OE1-NZ 3.47Å; E281-K291 PolarHBondContact OE1-NZ 2.84Å
282S82.4Confident86.1Confident96 Ų9667.2 Ų67.267%0.67137%0.365SS*.SBendtrans-91.7-0.7-178.954.10000114.3P278P278-S282 WeakPolarHBondContact O-CB 3.46Å; P278-S282 PolarHBondContact O-N 3.07Å; P278-S282 PolarHBondContact O-OG 3.42Å
283H82.8Confident86Confident33 Ų3366.2 Ų66.215%0.15336%0.362CS..SBendtrans-69.7147.1-174.4-180-96.4000112.4A285 T286 L315 Y318H283-A285 VanDerWaalsContact CE1-CB 3.48Å; H283-A285 WeakPolarHBondContact CE1-CB 3.43Å; H283-A285 WeakPolarHBondContact ND1-CB 3.37Å; H283-A285 PolarHBondContact ND1-N 3.33Å; H283-A285 VanDerWaalsContact ND1-N 3.12Å; H283-A285 PolarHBondContact O-N 2.97Å; H283-A285 VanDerWaalsContact O-N 3.1Å; H283-T286 PolarHBondContact N-OG1 3.48Å; H283-T286 PolarHBondContact O-N 2.72Å; H283-T286 PolarHBondContact O-OG1 3.04Å; H283-L315 HydrophobicContact CB-CD2 4.42Å; H283-L315 WeakPolarHBondContact ND1-CD2 3.34Å; H283-Y318 AromaticContact CD2-CD1 3.78Å; H283-Y318 AromaticContact CD2-CE1 3.76Å; H283-Y318 AromaticContact CD2-CG 3.96Å; H283-Y318 AromaticContact CD2-CZ 3.94Å; H283-Y318 AromaticContact NE2-CD1 3.82Å; H283-Y318 AromaticContact NE2-CD2 3.68Å; H283-Y318 AromaticContact NE2-CG 3.53Å
284S82.4Confident85.9Confident121 Ų12166 Ų6685%0.84636%0.361SS*.THydrogen-bonded Turntrans-61.5-24.1-17659.50000114.6
285A82.8Confident85.8Confident21 Ų2167.6 Ų67.617%0.17437%0.37CS..THydrogen-bonded Turntrans-86-5.2175.200000114.8H283 I290 K314H283-A285 VanDerWaalsContact CE1-CB 3.48Å; H283-A285 WeakPolarHBondContact CE1-CB 3.43Å; H283-A285 WeakPolarHBondContact ND1-CB 3.37Å; H283-A285 PolarHBondContact ND1-N 3.33Å; H283-A285 VanDerWaalsContact ND1-N 3.12Å; H283-A285 PolarHBondContact O-N 2.97Å; H283-A285 VanDerWaalsContact O-N 3.1Å; A285-I290 WeakPolarHBondContact O-CD1 3.47Å; A285-K314 HydrophobicContact CB-CB 4.25Å; A285-K314 HydrophobicContact CB-CD 4.07Å
286T87.5Confident85.9Confident13 Ų1369 Ų698%0.0838%0.379CS..  trans-92.288.3171.419.30000109.8F275 L280 E281 H283 I290 W311F275-T286 HydrophobicContact CE1-CG2 3.88Å; F275-T286 HydrophobicContact CZ-CG2 4.44Å; L280-T286 VanDerWaalsContact O-CG2 3.31Å; L280-T286 WeakPolarHBondContact O-CG2 3.45Å; L280-T286 PolarHBondContact O-OG1 2.62Å; E281-T286 PolarHBondContact O-OG1 3.2Å; H283-T286 PolarHBondContact N-OG1 3.48Å; H283-T286 PolarHBondContact O-N 2.72Å; H283-T286 PolarHBondContact O-OG1 3.04Å; T286-I290 HydrophobicContact CG2-CG2 4.4Å; T286-W311 HydrophobicContact CG2-CZ2 3.62Å; T286-W311 VanDerWaalsContact CG2-NE1 3.25Å
287S89Confident86.1Confident43 Ų4365.9 Ų65.930%0.30136%0.363SS..  trans-71.5161.116963.70000111.3E289 I290 K291S287-E289 PolarHBondContact O-N 2.85Å; S287-I290 WeakPolarHBondContact O-CB 3.34Å; S287-I290 PolarHBondContact O-N 3.46Å; S287-I290 WeakPolarHBondContact OG-CD1 3.38Å; S287-I290 PolarHBondContact OG-N 3.48Å; S287-K291 PolarHBondContact O-N 3.25Å
288N87.2Confident86.2Confident118 Ų11867.5 Ų67.563%0.63137%0.366SS*.Hα-helixtrans-59.1-37.3174.5-67.1-13.1000111.7I290 K291 E292N288-I290 PolarHBondContact O-N 3.23Å; N288-K291 WeakPolarHBondContact O-CB 3.22Å; N288-K291 PolarHBondContact O-N 3.36Å; N288-E292 PolarHBondContact O-N 2.96Å
289E88.3Confident86.5Confident124 Ų12468.6 Ų68.658%0.57937%0.371SS*.Hα-helixtrans-54-38.2172.7-52.7172.9141.400112.4S287 C293S287-E289 PolarHBondContact O-N 2.85Å; E289-C293 WeakPolarHBondContact O-CB 3.4Å; E289-C293 PolarHBondContact O-N 2.87Å; E289-C293 PolarHBondContact O-SG 2.72Å
290I90.2Very high86.9Confident7 Ų763.7 Ų63.74%0.03635%0.345CS..Hα-helixtrans-73.6-36.3178.7-71.7163.9000110.8A285 T286 S287 N288 C293 C294 L307 L308 W311A285-I290 WeakPolarHBondContact O-CD1 3.47Å; T286-I290 HydrophobicContact CG2-CG2 4.4Å; S287-I290 WeakPolarHBondContact O-CB 3.34Å; S287-I290 PolarHBondContact O-N 3.46Å; S287-I290 WeakPolarHBondContact OG-CD1 3.38Å; S287-I290 PolarHBondContact OG-N 3.48Å; N288-I290 PolarHBondContact O-N 3.23Å; I290-C293 PolarHBondContact O-N 3.42Å; I290-C294 PolarHBondContact O-N 2.97Å; I290-C294 PolarHBondContact O-SG 2.99Å; I290-C294 VanDerWaalsContact O-SG 3.36Å; I290-L307 HydrophobicContact CD1-CG 4.4Å; I290-L307 HydrophobicContact CG1-CD2 4.05Å; I290-L307 HydrophobicContact CG1-CG 4.12Å; I290-L308 HydrophobicContact CG2-CD2 4.17Å; I290-W311 HydrophobicContact CD1-CB 3.95Å; I290-W311 HydrophobicContact CD1-CG 3.89Å; I290-W311 HydrophobicContact CG2-CD2 3.6Å; I290-W311 HydrophobicContact CG2-CE3 3.95Å; I290-W311 HydrophobicContact CG2-CG 3.96Å; I290-W311 HydrophobicContact CG2-CH2 4.27Å; I290-W311 HydrophobicContact CG2-CZ2 3.96Å; I290-W311 HydrophobicContact CG2-CZ3 4.27Å
291K89.3Confident87.2Confident57 Ų5764.5 Ų64.525%0.24836%0.355CS..Hα-helixtrans-63.3-44.1172.9-62.1-169-177.7-168.50111.3F275 E281 S287 N288 C294F275-K291 HydrophobicContact CE2-CG 4.34Å; F275-K291 HydrophobicContact CZ-CG 4.17Å; E281-K291 HydrophobicContact CG-CD 4.48Å; E281-K291 WeakPolarHBondContact O-CE 3.41Å; E281-K291 IonicContact OE1-NZ 3.47Å; E281-K291 PolarHBondContact OE1-NZ 2.84Å; S287-K291 PolarHBondContact O-N 3.25Å; N288-K291 WeakPolarHBondContact O-CB 3.22Å; N288-K291 PolarHBondContact O-N 3.36Å; K291-C294 PolarHBondContact O-N 3.31Å
292E90.2Very high87.3Confident130 Ų13066.7 Ų66.761%0.60736%0.36SS*.Hα-helixtrans-63-45.4174.3-70.1173.8-169.600111.7N288 C294 Q295N288-E292 PolarHBondContact O-N 2.96Å; E292-C294 PolarHBondContact O-N 3.39Å; E292-Q295 WeakPolarHBondContact O-CB 3.43Å; E292-Q295 PolarHBondContact O-N 2.83Å
293C90.1Very high87.6Confident17 Ų1770 Ų7012%0.11536%0.362CS..Hα-helixtrans-60.8-25.5176.1-72.30000113.6E289 I290 L300 L308E289-C293 WeakPolarHBondContact O-CB 3.4Å; E289-C293 PolarHBondContact O-N 2.87Å; E289-C293 PolarHBondContact O-SG 2.72Å; I290-C293 PolarHBondContact O-N 3.42Å; C293-L300 HydrophobicContact CB-CD1 4.07Å; C293-L300 HydrophobicContact CB-CD2 4.13Å; C293-L308 HydrophobicContact CB-CD1 4.32Å; C293-L308 HydrophobicContact CB-CD2 3.91Å; C293-L308 HydrophobicContact CB-CG 4.21Å
294C90.2Very high87.9Confident1 Ų171.7 Ų71.71%0.00737%0.37CS..THydrogen-bonded Turntrans-78.4-14.9175.7-77.10000113.8E272 I273 F275 I290 K291 E292E272-C294 CarbonylContact C-O 3.59Å; E272-C294 WeakPolarHBondContact CA-O 3.49Å; I273-C294 HydrophobicContact CB-CB 4.15Å; I273-C294 HydrophobicContact CG2-CB 4.39Å; I273-C294 PolarHBondContact N-O 3.16Å; I273-C294 WeakPolarHBondContact O-CB 3.46Å; F275-C294 HydrophobicContact CE2-CB 3.93Å; F275-C294 HydrophobicContact CZ-CB 4.4Å; I290-C294 PolarHBondContact O-N 2.97Å; I290-C294 PolarHBondContact O-SG 2.99Å; I290-C294 VanDerWaalsContact O-SG 3.36Å; K291-C294 PolarHBondContact O-N 3.31Å; E292-C294 PolarHBondContact O-N 3.39Å
295Q90.4Very high88.3Confident133 Ų13366.2 Ų66.262%0.62133%0.331SS*.THydrogen-bonded Turntrans-78.4-46.4-178.3-67177.97.500112.9E292E292-Q295 WeakPolarHBondContact O-CB 3.43Å; E292-Q295 PolarHBondContact O-N 2.83Å
296D89.5Confident88.6Confident76 Ų7671.7 Ų71.741%0.40635%0.348SS..  trans-131.297.9172.8-169.9-25.6000111.1K298 V299 L300D296-K298 VanDerWaalsContact C-N 3.3Å; D296-K298 WeakPolarHBondContact OD1-CA 2.92Å; D296-K298 PolarHBondContact OD1-N 3.11Å; D296-V299 HydrophobicContact CB-CB 4.49Å; D296-V299 HydrophobicContact CB-CG2 4.44Å; D296-V299 PolarHBondContact OD1-N 2.91Å; D296-V299 VanDerWaalsContact OD2-CG2 3.29Å; D296-V299 WeakPolarHBondContact OD2-CG2 3.48Å; D296-L300 WeakPolarHBondContact O-CG 3.47Å
297I90.1Very high88.8Confident5 Ų574.2 Ų74.23%0.02636%0.36CS..SBendtrans-75.9-21.4-179.1-66161.2000111.5L267 A270 S271 I273 L300 L305L267-I297 HydrophobicContact CB-CG2 4.37Å; L267-I297 HydrophobicContact CD2-CD1 4.27Å; L267-I297 HydrophobicContact CD2-CG2 3.85Å; A270-I297 HydrophobicContact CB-CD1 3.68Å; S271-I297 PolarHBondContact O-N 3.03Å; I273-I297 HydrophobicContact CB-CD1 4.02Å; I273-I297 HydrophobicContact CD1-CD1 3.49Å; I273-I297 VanDerWaalsContact CD1-CD1 3.49Å; I273-I297 HydrophobicContact CG1-CD1 3.48Å; I273-I297 VanDerWaalsContact CG1-CD1 3.48Å; I297-L300 WeakPolarHBondContact O-CB 3.41Å; I297-L300 PolarHBondContact O-N 2.94Å; I297-L305 HydrophobicContact CG2-CD2 4.24Å
298K85.6Confident88.8Confident111 Ų11172.2 Ų72.248%0.48335%0.346SS..SBendtrans-84.8-16.6-175-72.8171.7176161.40112.7L248 A270 S271 D296L248-K298 PolarHBondContact O-NZ 3.49Å; A270-K298 WeakPolarHBondContact O-CE 3.4Å; S271-K298 PolarHBondContact OG-NZ 3.11Å; D296-K298 VanDerWaalsContact C-N 3.3Å; D296-K298 WeakPolarHBondContact OD1-CA 2.92Å; D296-K298 PolarHBondContact OD1-N 3.11Å
299V86.6Confident89.1Confident117 Ų11768.3 Ų68.371%0.70933%0.325SS*.SBendtrans-82.5-16.8168.9170.80000112.7D296D296-V299 HydrophobicContact CB-CB 4.49Å; D296-V299 HydrophobicContact CB-CG2 4.44Å; D296-V299 PolarHBondContact OD1-N 2.91Å; D296-V299 VanDerWaalsContact OD2-CG2 3.29Å; D296-V299 WeakPolarHBondContact OD2-CG2 3.48Å
300L87.9Confident89.2Confident27 Ų2765.3 Ų65.314%0.14132%0.318CS..  trans-68.3141.3-171.5-59.9-173.5000115C293 D296 I297 E304 L305 L308C293-L300 HydrophobicContact CB-CD1 4.07Å; C293-L300 HydrophobicContact CB-CD2 4.13Å; D296-L300 WeakPolarHBondContact O-CG 3.47Å; I297-L300 WeakPolarHBondContact O-CB 3.41Å; I297-L300 PolarHBondContact O-N 2.94Å; L300-E304 HydrophobicContact CB-CB 4.03Å; L300-E304 HydrophobicContact CD1-CB 4.39Å; L300-E304 HydrophobicContact CD2-CB 4.03Å; L300-E304 HydrophobicContact CG-CB 4.37Å; L300-L305 HydrophobicContact CB-CD2 4.14Å; L300-L305 HydrophobicContact CB-CG 3.94Å; L300-L305 HydrophobicContact CD1-CD2 4.1Å; L300-L308 HydrophobicContact CD1-CD1 3.55Å; L300-L308 HydrophobicContact CD1-CG 4.46Å
301G85.9Confident89.3Confident24 Ų2465.1 Ų65.125%0.24732%0.317CS..  trans-85.8-174.6170.900000114.1K303 E304 L305G301-K303 VanDerWaalsContact C-N 3.33Å; G301-K303 PolarHBondContact O-N 2.82Å; G301-E304 WeakPolarHBondContact CA-OE2 3.41Å; G301-E304 PolarHBondContact N-OE2 3.46Å; G301-E304 PolarHBondContact O-N 2.87Å; G301-E304 VanDerWaalsContact O-OE2 3.11Å; G301-L305 WeakPolarHBondContact O-CB 3.17Å; G301-L305 WeakPolarHBondContact O-CD1 3.46Å; G301-L305 VanDerWaalsContact O-CG 3.3Å; G301-L305 WeakPolarHBondContact O-CG 3.47Å; G301-L305 PolarHBondContact O-N 3.32Å
302R85.1Confident89.4Confident127 Ų12763.6 Ų63.648%0.47931%0.309SS..THydrogen-bonded Turntrans-71.6-21.1-176.8-168.1-179.8177.4-148.50.8113.6V231 E304 R306V231-R302 HydrophobicContact CG2-CB 4.21Å; R302-E304 PolarHBondContact N-OE2 3.28Å; R302-R306 VanDerWaalsContact O-CD 3.27Å; R302-R306 WeakPolarHBondContact O-CD 3.22Å; R302-R306 VanDerWaalsContact O-CG 3.27Å; R302-R306 WeakPolarHBondContact O-CG 3.44Å
303K88.1Confident89.4Confident166 Ų16659.9 Ų59.972%0.72230%0.301SS*.THydrogen-bonded Turntrans-81.3-39.9177.7-62.4177.1176-179.30110.1G301 R306 L307G301-K303 VanDerWaalsContact C-N 3.33Å; G301-K303 PolarHBondContact O-N 2.82Å; K303-R306 CarbonylContact O-C 3.55Å; K303-R306 WeakPolarHBondContact O-CB 3.48Å; K303-R306 PolarHBondContact O-N 3.4Å; K303-L307 PolarHBondContact O-N 3.19Å
304E90.5Very high89.4Confident68 Ų6864.1 Ų64.132%0.31832%0.317SS..Hα-helixtrans-72.4-47.2-173.2-56.370-154.700109.6L300 G301 R302 R306 L307 L308L300-E304 HydrophobicContact CB-CB 4.03Å; L300-E304 HydrophobicContact CD1-CB 4.39Å; L300-E304 HydrophobicContact CD2-CB 4.03Å; L300-E304 HydrophobicContact CG-CB 4.37Å; G301-E304 WeakPolarHBondContact CA-OE2 3.41Å; G301-E304 PolarHBondContact N-OE2 3.46Å; G301-E304 PolarHBondContact O-N 2.87Å; G301-E304 VanDerWaalsContact O-OE2 3.11Å; R302-E304 PolarHBondContact N-OE2 3.28Å; E304-R306 PolarHBondContact O-N 3.1Å; E304-L307 WeakPolarHBondContact O-CB 3.09Å; E304-L307 PolarHBondContact O-N 3.44Å; E304-L308 PolarHBondContact O-N 3.41Å
305L90.1Very high89.2Confident5 Ų564 Ų643%0.02632%0.317CS..Hα-helixtrans-59.8-31.6169.9-69.1167.6000112.8V227 L230 V231 L267 I297 L300 G301 L309V227-L305 HydrophobicContact CG1-CB 4.03Å; L230-L305 HydrophobicContact CB-CD1 3.94Å; L230-L305 HydrophobicContact CD1-CD1 4.09Å; L230-L305 HydrophobicContact CD1-CD2 4.35Å; V231-L305 HydrophobicContact CG2-CD1 3.99Å; L267-L305 HydrophobicContact CB-CD2 4.39Å; L267-L305 HydrophobicContact CD1-CD2 4.22Å; I297-L305 HydrophobicContact CG2-CD2 4.24Å; L300-L305 HydrophobicContact CB-CD2 4.14Å; L300-L305 HydrophobicContact CB-CG 3.94Å; L300-L305 HydrophobicContact CD1-CD2 4.1Å; G301-L305 WeakPolarHBondContact O-CB 3.17Å; G301-L305 WeakPolarHBondContact O-CD1 3.46Å; G301-L305 VanDerWaalsContact O-CG 3.3Å; G301-L305 WeakPolarHBondContact O-CG 3.47Å; G301-L305 PolarHBondContact O-N 3.32Å; L305-L309 WeakPolarHBondContact O-CD1 3.49Å; L305-L309 VanDerWaalsContact O-CG 3.26Å; L305-L309 WeakPolarHBondContact O-CG 3.47Å; L305-L309 PolarHBondContact O-N 3.39Å
306R88.4Confident89.2Confident137 Ų13763.5 Ų63.552%0.51731%0.309SS..Hα-helixtrans-74.5-35173.1-79.4172.8160.9-178.6-14.6112.5V227 R302 K303 E304 L309 S310V227-R306 HydrophobicContact CG1-CG 4.41Å; R302-R306 VanDerWaalsContact O-CD 3.27Å; R302-R306 WeakPolarHBondContact O-CD 3.22Å; R302-R306 VanDerWaalsContact O-CG 3.27Å; R302-R306 WeakPolarHBondContact O-CG 3.44Å; K303-R306 CarbonylContact O-C 3.55Å; K303-R306 WeakPolarHBondContact O-CB 3.48Å; K303-R306 PolarHBondContact O-N 3.4Å; E304-R306 PolarHBondContact O-N 3.1Å; R306-L309 PolarHBondContact O-N 3.3Å; R306-S310 WeakPolarHBondContact O-CB 3.42Å; R306-S310 PolarHBondContact O-N 3.49Å
307L91.4Very high89Confident66 Ų6667.8 Ų67.835%0.34632%0.32SS..Hα-helixtrans-61.4-48.1174.2-175.664.2000110.1I290 K303 E304 L309 S310 W311I290-L307 HydrophobicContact CD1-CG 4.4Å; I290-L307 HydrophobicContact CG1-CD2 4.05Å; I290-L307 HydrophobicContact CG1-CG 4.12Å; K303-L307 PolarHBondContact O-N 3.19Å; E304-L307 WeakPolarHBondContact O-CB 3.09Å; E304-L307 PolarHBondContact O-N 3.44Å; L307-L309 VanDerWaalsContact C-N 3.34Å; L307-L309 PolarHBondContact O-N 3.33Å; L307-S310 PolarHBondContact O-N 3.5Å; L307-W311 VanDerWaalsContact O-CB 3.26Å; L307-W311 WeakPolarHBondContact O-CB 3.44Å; L307-W311 PolarHBondContact O-N 3.5Å
308L90.8Very high88.9Confident0 Ų071.4 Ų71.40%033%0.334CS..Hα-helixtrans-58.6-41.1175-69.3-178000112.9L267 I290 C293 L300 E304 W311 R312L267-L308 HydrophobicContact CD2-CD1 4.04Å; I290-L308 HydrophobicContact CG2-CD2 4.17Å; C293-L308 HydrophobicContact CB-CD1 4.32Å; C293-L308 HydrophobicContact CB-CD2 3.91Å; C293-L308 HydrophobicContact CB-CG 4.21Å; L300-L308 HydrophobicContact CD1-CD1 3.55Å; L300-L308 HydrophobicContact CD1-CG 4.46Å; E304-L308 PolarHBondContact O-N 3.41Å; L308-W311 HydrophobicContact CD2-CE3 3.97Å; L308-W311 HydrophobicContact CD2-CZ3 4.21Å; L308-W311 PolarHBondContact O-N 3.1Å; L308-R312 WeakPolarHBondContact O-CB 3.47Å; L308-R312 PolarHBondContact O-N 3.23Å
309L91.4Very high88.8Confident36 Ų3669 Ų6919%0.18833%0.326CS..Hα-helixtrans-68.3-39.3176.5-70.3169.1000112.6V227 P263 V264 L267 L305 R306 L307 A313V227-L309 HydrophobicContact CG1-CD1 4.49Å; V227-L309 HydrophobicContact CG2-CD1 3.58Å; P263-L309 HydrophobicContact CB-CD2 3.58Å; P263-L309 HydrophobicContact CG-CD2 3.61Å; V264-L309 HydrophobicContact CG2-CD1 4.31Å; L267-L309 HydrophobicContact CD1-CD2 4.03Å; L267-L309 HydrophobicContact CD1-CG 4.09Å; L305-L309 WeakPolarHBondContact O-CD1 3.49Å; L305-L309 VanDerWaalsContact O-CG 3.26Å; L305-L309 WeakPolarHBondContact O-CG 3.47Å; L305-L309 PolarHBondContact O-N 3.39Å; R306-L309 PolarHBondContact O-N 3.3Å; L307-L309 VanDerWaalsContact C-N 3.34Å; L307-L309 PolarHBondContact O-N 3.33Å; L309-A313 PolarHBondContact O-N 3.07Å; L309-A313 VanDerWaalsContact O-N 3.12Å
310S90.9Very high88.7Confident62 Ų6266.3 Ų66.343%0.43432%0.315SS..Hα-helixtrans-67.9-39.7174.8-175.50000111.9R306 L307 A313 K314R306-S310 WeakPolarHBondContact O-CB 3.42Å; R306-S310 PolarHBondContact O-N 3.49Å; L307-S310 PolarHBondContact O-N 3.5Å; S310-A313 PolarHBondContact O-N 3.45Å; S310-K314 PolarHBondContact O-N 3.05Å
311W92.6Very high88.6Confident3 Ų372 Ų721%0.01134%0.339CS..Hα-helixtrans-61.5-48174.4165.266.5000111.4V254 F257 F275 T286 I290 L307 L308 A313 K314 L315V254-W311 HydrophobicContact CG1-CH2 4.12Å; V254-W311 HydrophobicContact CG2-CH2 4.05Å; F257-W311 AromaticContact CD1-CZ3 3.99Å; F257-W311 HydrophobicContact CD1-CZ3 3.99Å; F257-W311 HydrophobicContact CE1-CE3 4.1Å; F257-W311 AromaticContact CE1-CZ3 3.85Å; F257-W311 HydrophobicContact CE1-CZ3 3.85Å; F275-W311 HydrophobicContact CE1-CH2 4.18Å; F275-W311 AromaticContact CE1-CZ2 3.94Å; F275-W311 HydrophobicContact CE1-CZ2 3.94Å; F275-W311 HydrophobicContact CZ-CH2 4.23Å; F275-W311 HydrophobicContact CZ-CZ2 4.26Å; T286-W311 HydrophobicContact CG2-CZ2 3.62Å; T286-W311 VanDerWaalsContact CG2-NE1 3.25Å; I290-W311 HydrophobicContact CD1-CB 3.95Å; I290-W311 HydrophobicContact CD1-CG 3.89Å; I290-W311 HydrophobicContact CG2-CD2 3.6Å; I290-W311 HydrophobicContact CG2-CE3 3.95Å; I290-W311 HydrophobicContact CG2-CG 3.96Å; I290-W311 HydrophobicContact CG2-CH2 4.27Å; I290-W311 HydrophobicContact CG2-CZ2 3.96Å; I290-W311 HydrophobicContact CG2-CZ3 4.27Å; L307-W311 VanDerWaalsContact O-CB 3.26Å; L307-W311 WeakPolarHBondContact O-CB 3.44Å; L307-W311 PolarHBondContact O-N 3.5Å; L308-W311 HydrophobicContact CD2-CE3 3.97Å; L308-W311 HydrophobicContact CD2-CZ3 4.21Å; L308-W311 PolarHBondContact O-N 3.1Å; W311-A313 VanDerWaalsContact C-N 3.26Å; W311-A313 PolarHBondContact O-N 3.18Å; W311-K314 WeakPolarHBondContact O-CA 3.42Å; W311-K314 WeakPolarHBondContact O-CB 3.35Å; W311-K314 PolarHBondContact O-N 3.06Å; W311-L315 HydrophobicContact CD2-CD1 4.23Å; W311-L315 HydrophobicContact CH2-CD1 4.27Å; W311-L315 HydrophobicContact CZ2-CD1 3.4Å; W311-L315 PolarHBondContact O-N 3.4Å
312R91.3Very high88.4Confident24 Ų2474.6 Ų74.69%0.09134%0.344CS..Hα-helixtrans-53.7-41.2171.6172.3168.6-170.6-88-3.6112.5F257 L258 A260 L308 K314 L315 R316F257-R312 HydrophobicContact CE1-CB 3.88Å; F257-R312 HydrophobicContact CE1-CG 4.37Å; F257-R312 HydrophobicContact CZ-CB 4.14Å; F257-R312 HydrophobicContact CZ-CG 4.48Å; F257-R312 PolarHBondContact O-NE 2.96Å; F257-R312 PolarHBondContact O-NH2 3.21Å; L258-R312 HydrophobicContact CD2-CB 4.31Å; L258-R312 HydrophobicContact CD2-CG 3.91Å; L258-R312 PolarHBondContact O-NH2 2.85Å; A260-R312 PolarHBondContact O-NH2 2.82Å; L308-R312 WeakPolarHBondContact O-CB 3.47Å; L308-R312 PolarHBondContact O-N 3.23Å; R312-K314 VanDerWaalsContact C-N 3.33Å; R312-L315 PolarHBondContact O-N 3.08Å; R312-R316 PolarHBondContact O-N 3.09Å
313A89.9Confident88.3Confident52 Ų5273.9 Ų73.943%0.4335%0.349SS..Hα-helixtrans-72.7-20.4176.600000114L309 S310 W311 R317L309-A313 PolarHBondContact O-N 3.07Å; L309-A313 VanDerWaalsContact O-N 3.12Å; S310-A313 PolarHBondContact O-N 3.45Å; W311-A313 VanDerWaalsContact C-N 3.26Å; W311-A313 PolarHBondContact O-N 3.18Å; A313-R317 WeakPolarHBondContact O-CG 3.4Å; A313-R317 PolarHBondContact O-NE 3.47Å
314K89.8Confident88Confident106 Ų10672.8 Ų72.846%0.46134%0.344SS..Hα-helixtrans-76.7-50.6166.7-67.9177.1-179.9-175.20110.4A285 S310 W311 R312 R316 R317 Y318A285-K314 HydrophobicContact CB-CB 4.25Å; A285-K314 HydrophobicContact CB-CD 4.07Å; S310-K314 PolarHBondContact O-N 3.05Å; W311-K314 WeakPolarHBondContact O-CA 3.42Å; W311-K314 WeakPolarHBondContact O-CB 3.35Å; W311-K314 PolarHBondContact O-N 3.06Å; R312-K314 VanDerWaalsContact C-N 3.33Å; K314-R316 PolarHBondContact O-N 2.9Å; K314-R317 PolarHBondContact O-N 3.17Å; K314-R317 VanDerWaalsContact O-N 3.16Å; K314-Y318 PolarHBondContact O-N 3.23Å
315L87.5Confident87.6Confident0 Ų073.7 Ų73.70%035%0.348CS..Hα-helixtrans-62.6-40.6-179.6-74.1-171.7000113.8L258 L280 H283 W311 R312 R317 Y318 L319L258-L315 HydrophobicContact CD1-CB 4.23Å; L258-L315 HydrophobicContact CD1-CD1 4.23Å; L258-L315 HydrophobicContact CD2-CB 3.9Å; L258-L315 HydrophobicContact CD2-CD1 4.25Å; L280-L315 HydrophobicContact CD2-CD1 4.48Å; L280-L315 HydrophobicContact CD2-CD2 4.33Å; H283-L315 HydrophobicContact CB-CD2 4.42Å; H283-L315 WeakPolarHBondContact ND1-CD2 3.34Å; W311-L315 HydrophobicContact CD2-CD1 4.23Å; W311-L315 HydrophobicContact CH2-CD1 4.27Å; W311-L315 HydrophobicContact CZ2-CD1 3.4Å; W311-L315 PolarHBondContact O-N 3.4Å; R312-L315 PolarHBondContact O-N 3.08Å; L315-R317 VanDerWaalsContact C-N 3.27Å; L315-R317 PolarHBondContact O-N 3.13Å; L315-Y318 PolarHBondContact O-N 3.05Å; L315-L319 WeakPolarHBondContact O-CG 3.23Å; L315-L319 PolarHBondContact O-N 3.17Å
316R88.9Confident87Confident121 Ų12177.3 Ų77.346%0.45737%0.365SS..Hα-helixtrans-64-31.6175.4-74.2-167.672.1159.9-3.3112.7L258 R312 K314 A320L258-R316 HydrophobicContact CD2-CG 4.27Å; L258-R316 WeakPolarHBondContact O-CD 3.2Å; L258-R316 PolarHBondContact O-NH1 3.05Å; R312-R316 PolarHBondContact O-N 3.09Å; K314-R316 PolarHBondContact O-N 2.9Å; R316-A320 VanDerWaalsContact O-CB 3.31Å; R316-A320 WeakPolarHBondContact O-CB 3.37Å; R316-A320 PolarHBondContact O-N 2.84Å
317R86.8Confident86.2Confident167 Ų16772.9 Ų72.963%0.6336%0.358SS*.Hα-helixtrans-72.8-39.9173.5-75.7-175.1-68.9157-2.7112.1A313 K314 L315 A320 K321A313-R317 WeakPolarHBondContact O-CG 3.4Å; A313-R317 PolarHBondContact O-NE 3.47Å; K314-R317 PolarHBondContact O-N 3.17Å; K314-R317 VanDerWaalsContact O-N 3.16Å; L315-R317 VanDerWaalsContact C-N 3.27Å; L315-R317 PolarHBondContact O-N 3.13Å; R317-A320 PolarHBondContact O-N 3.5Å; R317-K321 PolarHBondContact O-N 3.33Å
318Y86.4Confident85.6Confident81 Ų8175.8 Ų75.832%0.31837%0.368SS..Hα-helixtrans-60.7-48.9173.3174.3-111.2000111.7H283 K314 L315 A320 K321 K322H283-Y318 AromaticContact CD2-CD1 3.78Å; H283-Y318 AromaticContact CD2-CE1 3.76Å; H283-Y318 AromaticContact CD2-CG 3.96Å; H283-Y318 AromaticContact CD2-CZ 3.94Å; H283-Y318 AromaticContact NE2-CD1 3.82Å; H283-Y318 AromaticContact NE2-CD2 3.68Å; H283-Y318 AromaticContact NE2-CG 3.53Å; K314-Y318 PolarHBondContact O-N 3.23Å; L315-Y318 PolarHBondContact O-N 3.05Å; Y318-A320 VanDerWaalsContact C-N 3.31Å; Y318-A320 PolarHBondContact O-N 3.38Å; Y318-K321 PolarHBondContact O-N 2.89Å; Y318-K322 HydrophobicContact CE1-CG 4.28Å; Y318-K322 HydrophobicContact CE2-CG 4.21Å; Y318-K322 PolarHBondContact O-N 3.48Å
319L84.4Confident84.7Confident60 Ų6081.2 Ų81.231%0.31439%0.393SS..Hα-helixtrans-62.4-35.4175.9-71.2175.2000112.8L258 L280 L315 K322 L323L258-L319 HydrophobicContact CD1-CD1 3.68Å; L280-L319 HydrophobicContact CD2-CD1 4.48Å; L280-L319 HydrophobicContact CD2-CD2 4.28Å; L315-L319 WeakPolarHBondContact O-CG 3.23Å; L315-L319 PolarHBondContact O-N 3.17Å; L319-K322 PolarHBondContact O-N 3.19Å; L319-L323 WeakPolarHBondContact O-CB 3.38Å; L319-L323 VanDerWaalsContact O-CG 3.31Å; L319-L323 WeakPolarHBondContact O-CG 3.35Å; L319-L323 PolarHBondContact O-N 3Å
320A84.8Confident83.7Confident60 Ų6084.2 Ų84.250%0.49641%0.409SS..Hα-helixtrans-69.9-33.417500000113.2R316 R317 Y318 K324R316-A320 VanDerWaalsContact O-CB 3.31Å; R316-A320 WeakPolarHBondContact O-CB 3.37Å; R316-A320 PolarHBondContact O-N 2.84Å; R317-A320 PolarHBondContact O-N 3.5Å; Y318-A320 VanDerWaalsContact C-N 3.31Å; Y318-A320 PolarHBondContact O-N 3.38Å; A320-K324 WeakPolarHBondContact O-CB 3.27Å; A320-K324 PolarHBondContact O-N 3.32Å
321K85.3Confident82.6Confident147 Ų14786.3 Ų86.364%0.63942%0.415SS*.Hα-helixtrans-65.8-51.2169.4-78.2-160.5172.2-161.40110.6R317 Y318 L323 K324 E325R317-K321 PolarHBondContact O-N 3.33Å; Y318-K321 PolarHBondContact O-N 2.89Å; K321-L323 PolarHBondContact O-N 2.83Å; K321-K324 CarbonylContact O-C 3.52Å; K321-K324 WeakPolarHBondContact O-CA 3.4Å; K321-K324 WeakPolarHBondContact O-CB 3.32Å; K321-K324 PolarHBondContact O-N 3.34Å; K321-E325 WeakPolarHBondContact O-CG 3.29Å; K321-E325 PolarHBondContact O-N 2.91Å
322K82.1Confident81.3Confident78 Ų7892.1 Ų92.134%0.33944%0.442SS..Hα-helixtrans-50.6-53.1176.5-92.9-75.1176-170.90113.3Y318 L319 K324 E325 E326Y318-K322 HydrophobicContact CE1-CG 4.28Å; Y318-K322 HydrophobicContact CE2-CG 4.21Å; Y318-K322 PolarHBondContact O-N 3.48Å; L319-K322 PolarHBondContact O-N 3.19Å; K322-K324 PolarHBondContact O-N 3.37Å; K322-E325 WeakPolarHBondContact O-CB 3.27Å; K322-E325 PolarHBondContact O-N 3.08Å; K322-E325 VanDerWaalsContact O-N 3.11Å; K322-E326 WeakPolarHBondContact CD-OE1 3.36Å; K322-E326 WeakPolarHBondContact O-CB 3.4Å; K322-E326 WeakPolarHBondContact O-CG 3.49Å; K322-E326 PolarHBondContact O-N 3.07Å
323L82.3Confident80.1Confident113 Ų11397 Ų9759%0.59247%0.466SS*.Hα-helixtrans-64.4-26.9178.5-70.2166.9000113.1L319 K321 A327L319-L323 WeakPolarHBondContact O-CB 3.38Å; L319-L323 VanDerWaalsContact O-CG 3.31Å; L319-L323 WeakPolarHBondContact O-CG 3.35Å; L319-L323 PolarHBondContact O-N 3Å; K321-L323 PolarHBondContact O-N 2.83Å; L323-A327 VanDerWaalsContact O-CB 3.22Å; L323-A327 WeakPolarHBondContact O-CB 3.46Å; L323-A327 PolarHBondContact O-N 2.59Å
324K82Confident78.8Confident143 Ų14399.7 Ų99.762%0.62247%0.472SS*.Hα-helixtrans-79.5-30.4174.4-170.1176.9-177.4-179.10112.3A320 K321 K322 K328A320-K324 WeakPolarHBondContact O-CB 3.27Å; A320-K324 PolarHBondContact O-N 3.32Å; K321-K324 CarbonylContact O-C 3.52Å; K321-K324 WeakPolarHBondContact O-CA 3.4Å; K321-K324 WeakPolarHBondContact O-CB 3.32Å; K321-K324 PolarHBondContact O-N 3.34Å; K322-K324 PolarHBondContact O-N 3.37Å; K324-K328 WeakPolarHBondContact O-CB 3.28Å; K324-K328 VanDerWaalsContact O-CG 3.32Å; K324-K328 WeakPolarHBondContact O-CG 3.29Å; K324-K328 PolarHBondContact O-N 3.35Å; K324-K328 VanDerWaalsContact O-N 3.12Å
325E81.6Confident77.2Confident87 Ų8798 Ų9841%0.40747%0.474SS..Hα-helixtrans-70.7-46.7171.6-69.7152.1-157.300110.5K321 K322 K328 Q329K321-E325 WeakPolarHBondContact O-CG 3.29Å; K321-E325 PolarHBondContact O-N 2.91Å; K322-E325 WeakPolarHBondContact O-CB 3.27Å; K322-E325 PolarHBondContact O-N 3.08Å; K322-E325 VanDerWaalsContact O-N 3.11Å; E325-K328 WeakPolarHBondContact O-CB 3.4Å; E325-K328 PolarHBondContact O-N 2.98Å; E325-Q329 WeakPolarHBondContact O-CG 3.4Å; E325-Q329 PolarHBondContact O-N 3.41Å
326E78.1Confident75.5Confident81 Ų81104 Ų10438%0.37951%0.505SS..Hα-helixtrans-62.9-41.4176.2-71.1156.8-163.300111.6K322 Q329 L330K322-E326 WeakPolarHBondContact CD-OE1 3.36Å; K322-E326 WeakPolarHBondContact O-CB 3.4Å; K322-E326 WeakPolarHBondContact O-CG 3.49Å; K322-E326 PolarHBondContact O-N 3.07Å; E326-Q329 PolarHBondContact O-N 3.49Å; E326-L330 WeakPolarHBondContact O-CG 3.5Å; E326-L330 PolarHBondContact O-N 3.03Å
327A72.8Confident73.6Confident44 Ų44102.5 Ų102.536%0.36451%0.513SS..Hα-helixtrans-62.9-45172.400000112.4L323 Q329 L330 D331L323-A327 VanDerWaalsContact O-CB 3.22Å; L323-A327 WeakPolarHBondContact O-CB 3.46Å; L323-A327 PolarHBondContact O-N 2.59Å; A327-Q329 VanDerWaalsContact C-N 3.27Å; A327-Q329 PolarHBondContact O-N 3.27Å; A327-L330 PolarHBondContact O-N 2.6Å; A327-D331 VanDerWaalsContact O-CG 3.29Å; A327-D331 PolarHBondContact O-N 2.97Å
328K76.9Confident71.6Confident127 Ų12799.2 Ų99.255%0.55252%0.516SS*.Hα-helixtrans-60.6-35.3175-83.4-179.1167.6-162.60113K324 E325 Q332K324-K328 WeakPolarHBondContact O-CB 3.28Å; K324-K328 VanDerWaalsContact O-CG 3.32Å; K324-K328 WeakPolarHBondContact O-CG 3.29Å; K324-K328 PolarHBondContact O-N 3.35Å; K324-K328 VanDerWaalsContact O-N 3.12Å; E325-K328 WeakPolarHBondContact O-CB 3.4Å; E325-K328 PolarHBondContact O-N 2.98Å; K328-Q332 WeakPolarHBondContact O-CB 3.47Å; K328-Q332 VanDerWaalsContact O-CG 3.29Å; K328-Q332 WeakPolarHBondContact O-CG 3.39Å; K328-Q332 PolarHBondContact O-N 3.12Å
329Q73.6Confident69.6Low114 Ų114101 Ų10153%0.53353%0.531SS..Hα-helixtrans-69.4-43.6177-75.6171.5-20.200110.9E325 E326 A327 Q332 E333E325-Q329 WeakPolarHBondContact O-CG 3.4Å; E325-Q329 PolarHBondContact O-N 3.41Å; E326-Q329 PolarHBondContact O-N 3.49Å; A327-Q329 VanDerWaalsContact C-N 3.27Å; A327-Q329 PolarHBondContact O-N 3.27Å; Q329-Q332 PolarHBondContact O-N 3.33Å; Q329-E333 WeakPolarHBondContact O-CG 3.31Å; Q329-E333 PolarHBondContact O-N 3.16Å
330L70.3Confident67.6Low98 Ų98106.9 Ų106.951%0.51356%0.557SS.*Hα-helixtrans-63.5-41.6173-71.8168.6000112.3E326 A327 Q332 E333 I334E326-L330 WeakPolarHBondContact O-CG 3.5Å; E326-L330 PolarHBondContact O-N 3.03Å; A327-L330 PolarHBondContact O-N 2.6Å; L330-Q332 VanDerWaalsContact C-N 3.26Å; L330-Q332 PolarHBondContact O-N 2.97Å; L330-E333 PolarHBondContact O-N 3.2Å; L330-I334 VanDerWaalsContact O-CB 3.32Å; L330-I334 WeakPolarHBondContact O-CB 3.44Å; L330-I334 WeakPolarHBondContact O-CD1 3.39Å; L330-I334 WeakPolarHBondContact O-CG1 3.46Å; L330-I334 PolarHBondContact O-N 3.49Å
331D66.4Low65.2Low106 Ų106113.6 Ų113.657%0.56758%0.578SS**Hα-helixtrans-60.2-36.9173.8-68.9-25.8000111.5A327 S335A327-D331 VanDerWaalsContact O-CG 3.29Å; A327-D331 PolarHBondContact O-N 2.97Å; D331-S335 WeakPolarHBondContact O-CB 3.45Å; D331-S335 PolarHBondContact O-N 3.15Å
332Q66.8Low62.7Low126 Ų126109.7 Ų109.759%0.58958%0.58SS**Hα-helixtrans-72-40.7175.1-76.7177.6-24.700113K328 Q329 L330 S335 L336K328-Q332 WeakPolarHBondContact O-CB 3.47Å; K328-Q332 VanDerWaalsContact O-CG 3.29Å; K328-Q332 WeakPolarHBondContact O-CG 3.39Å; K328-Q332 PolarHBondContact O-N 3.12Å; Q329-Q332 PolarHBondContact O-N 3.33Å; L330-Q332 VanDerWaalsContact C-N 3.26Å; L330-Q332 PolarHBondContact O-N 2.97Å; Q332-S335 PolarHBondContact O-N 3.34Å; Q332-L336 WeakPolarHBondContact O-CB 3.22Å; Q332-L336 VanDerWaalsContact O-CG 3.28Å; Q332-L336 WeakPolarHBondContact O-CG 3.39Å; Q332-L336 PolarHBondContact O-N 3Å
333E65.1Low60.3Low125 Ų125113.8 Ų113.858%0.58460%0.604SS**Hα-helixtrans-68-36.2175.3-72.6177.6172.700111.9Q329 L330 L336 S337Q329-E333 WeakPolarHBondContact O-CG 3.31Å; Q329-E333 PolarHBondContact O-N 3.16Å; L330-E333 PolarHBondContact O-N 3.2Å; E333-L336 PolarHBondContact O-N 3.03Å; E333-S337 WeakPolarHBondContact O-CB 3.38Å; E333-S337 PolarHBondContact O-N 2.89Å; E333-S337 PolarHBondContact O-OG 2.72Å
334I62.5Low57.9Low109 Ų109115.2 Ų115.256%0.55961%0.612SS**Hα-helixtrans-67.7-40.8172.5-69.1164.6000110.7L330 S337 S338L330-I334 VanDerWaalsContact O-CB 3.32Å; L330-I334 WeakPolarHBondContact O-CB 3.44Å; L330-I334 WeakPolarHBondContact O-CD1 3.39Å; L330-I334 WeakPolarHBondContact O-CG1 3.46Å; L330-I334 PolarHBondContact O-N 3.49Å; I334-S337 PolarHBondContact O-OG 3.28Å; I334-S338 PolarHBondContact O-N 2.87Å
335S55.9Low55.4Low71 Ų71114.4 Ų114.450%0.49762%0.624SS.*Hα-helixtrans-61.5-47.5173.4-169.70000111.5D331 Q332 S337 S338D331-S335 WeakPolarHBondContact O-CB 3.45Å; D331-S335 PolarHBondContact O-N 3.15Å; Q332-S335 PolarHBondContact O-N 3.34Å; S335-S337 PolarHBondContact O-N 3.49Å; S335-S338 PolarHBondContact O-N 2.84Å
336L52.7Low53Low125 Ų125118.4 Ų118.465%0.65464%0.643SS**Hα-helixtrans-72.6-25.5-176.9-71.3167.8000113.6Q332 E333 S338Q332-L336 WeakPolarHBondContact O-CB 3.22Å; Q332-L336 VanDerWaalsContact O-CG 3.28Å; Q332-L336 WeakPolarHBondContact O-CG 3.39Å; Q332-L336 PolarHBondContact O-N 3Å; E333-L336 PolarHBondContact O-N 3.03Å; L336-S338 VanDerWaalsContact C-N 3.34Å
337S49.3Very low50.7Low90 Ų90121.6 Ų121.663%0.62966%0.663SS**Hα-helixtrans-85.5-3.9173.953.40000114E333 I334 S335E333-S337 WeakPolarHBondContact O-CB 3.38Å; E333-S337 PolarHBondContact O-N 2.89Å; E333-S337 PolarHBondContact O-OG 2.72Å; I334-S337 PolarHBondContact O-OG 3.28Å; S335-S337 PolarHBondContact O-N 3.49Å
338S44.6Very low48.7Very low99 Ų99128.8 Ų128.869%0.69269%0.688SS**THydrogen-bonded Turntrans-92.7-6.7173.5-168.90000114I334 S335 L336I334-S338 PolarHBondContact O-N 2.87Å; S335-S338 PolarHBondContact O-N 2.84Å; L336-S338 VanDerWaalsContact C-N 3.34Å
339D44.5Very low46.9Very low118 Ų118127.9 Ų127.963%0.63170%0.698SS**  trans-99-0.9-173.8-76.1-31.7000114.3E341D339-E341 VanDerWaalsContact C-N 3.29Å; D339-E341 PolarHBondContact O-N 3.3Å; D339-E341 VanDerWaalsContact O-N 3.08Å
340E41.4Very low45.2Very low183 Ų183130 Ų13086%0.85571%0.713SS**  trans-82.140.9-178.2-75.1-13313900115.7
341E35.8Very low43.7Very low201 Ų201131.3 Ų131.394%0.93973%0.725SS**SBendtrans-144.780.8157.2-76.3-157.6162.800110.7D339D339-E341 VanDerWaalsContact C-N 3.29Å; D339-E341 PolarHBondContact O-N 3.3Å; D339-E341 VanDerWaalsContact O-N 3.08Å
342G32.5Very low42.4Very low66 Ų66136.1 Ų136.168%0.6874%0.741SS**  trans-154.1-3.7-166.200000123
343I31.7Very low41.1Very low164 Ų164138.9 Ų138.984%0.84175%0.751SS**  trans50.3108.6167.6-52.6179.5000119.2
344N32.7Very low39.7Very low142 Ų142142.8 Ų142.876%0.75977%0.766SS**  trans15.9131149.6-66.115.7000122.8
345S28.3Very low38.6Very low126 Ų126145.6 Ų145.688%0.88177%0.774SS**  -156.2152.8114.630.40000111.1
346E31.3Very low37.7Very low172 Ų172149.4 Ų149.480%0.80478%0.782SS**  trans-111.1160.6-168.2-64.6174.6121.100113.3
347D30.5Very low37Very low148 Ų148151.5 Ų151.579%0.79179%0.788SS**  trans59.5147.6168.5-71.6-33.7000119.4
348E30.5Very low36.2Very low194 Ų194155.8 Ų155.891%0.90780%0.796SS**  cis-119.9171.114.1-75.8-169.6137.700114.9
349S39.3Very low36Very low109 Ų109154 Ų15476%0.76278%0.781SS**  trans-132.880.3-168.453.60000115.9
350D37.9Very low35.8Very low157 Ų157152.7 Ų152.784%0.8477%0.774SS**  trans-147.835.1167.4-138.1-9.3000118.3
351V38.9Very low35.6Very low126 Ų126150.2 Ų150.276%0.76476%0.762SS**SBendtrans-117-22173.1-1750000113.3K353V351-K353 VanDerWaalsContact C-N 3.31Å; V351-K353 PolarHBondContact O-N 2.86Å; V351-K353 VanDerWaalsContact O-N 3.08Å
352K38.7Very low35.8Very low208 Ų208144.8 Ų144.890%0.90474%0.739SS**THydrogen-bonded Turntrans-86.540.6-171.1-71.6-179.1176.7171.50114.9
353K39.2Very low36.3Very low183 Ų183146.4 Ų146.480%0.79673%0.728SS**THydrogen-bonded Turntrans-134.3-12.7172.6-119174.4-175.2173.50117.9V351V351-K353 VanDerWaalsContact C-N 3.31Å; V351-K353 PolarHBondContact O-N 2.86Å; V351-K353 VanDerWaalsContact O-N 3.08Å
354K36.1Very low36.8Very low207 Ų207145 Ų14590%0.972%0.718SS**SBendtrans-104.57.5172-82.5-176.6174.7175.10114.8
355K38.2Very low37.2Very low168 Ų168143.2 Ų143.273%0.7370%0.703SS**SBendtrans-120.929.1-178-148.6-177.7-175.5-1760113.2V359K355-V359 WeakPolarHBondContact O-CG2 3.24Å
356K37.9Very low37.8Very low151 Ų151142 Ų14266%0.65768%0.683SS**SBendtrans-115.8-52.1178.7-145.4177.2-176.9-173.10112.7K358 V359 D360K356-K358 PolarHBondContact O-N 3.41Å; K356-V359 PolarHBondContact O-N 2.86Å; K356-D360 PolarHBondContact O-N 3.09Å
357E36.9Very low38.6Very low169 Ų169137.8 Ų137.879%0.7967%0.666SS**Hα-helixtrans-63.6-24178.1-64.7170.8150.600113.8
358K34.2Very low39.4Very low180 Ų180136 Ų13678%0.78366%0.657SS**Hα-helixtrans-91.26.6173.6-87.8-160170.4-162.60115.2K356K356-K358 PolarHBondContact O-N 3.41Å
359V39.9Very low40.2Very low63 Ų63133.6 Ų133.638%0.38265%0.646SS.*Hα-helixtrans-106.1-39.5176.1176.50000110.4K355 K356 N362 K363K355-V359 WeakPolarHBondContact O-CG2 3.24Å; K356-V359 PolarHBondContact O-N 2.86Å; V359-N362 PolarHBondContact O-N 3.19Å; V359-K363 HydrophobicContact CG1-CD 4.28Å; V359-K363 WeakPolarHBondContact O-CB 3.09Å; V359-K363 PolarHBondContact O-N 3.05Å
360D40.4Very low40.7Very low90 Ų90134.9 Ų134.948%0.48164%0.64SS.*Hα-helixtrans-69.3-48.2179.2-59.5-36.4000111.3K356 N362 K363 E364K356-D360 PolarHBondContact O-N 3.09Å; D360-N362 PolarHBondContact O-N 3.46Å; D360-N362 VanDerWaalsContact O-N 3.09Å; D360-K363 PolarHBondContact O-N 3.46Å; D360-E364 PolarHBondContact O-N 3.39Å
361E37.1Very low41.4Very low130 Ų130134.2 Ų134.261%0.60763%0.632SS**Hα-helixtrans-62.1-17.7175.5-87-161.2166.600115K365E361-K365 WeakPolarHBondContact O-CG 3.41Å; E361-K365 PolarHBondContact O-NZ 3.38Å
362N39.9Very low42Very low87 Ų87132 Ų13247%0.46562%0.615SS.*Hα-helixtrans-95.9-36176.6-132.683.6000111V359 D360 K365 E366V359-N362 PolarHBondContact O-N 3.19Å; D360-N362 PolarHBondContact O-N 3.46Å; D360-N362 VanDerWaalsContact O-N 3.09Å; N362-K365 PolarHBondContact O-N 2.57Å; N362-E366 PolarHBondContact ND2-OE1 2.95Å; N362-E366 WeakPolarHBondContact O-CB 3.29Å; N362-E366 WeakPolarHBondContact O-CG 3.49Å; N362-E366 PolarHBondContact O-N 3.29Å
363K42.4Very low42.8Very low101 Ų101127.2 Ų127.244%0.43960%0.596SS.*Hα-helixtrans-65.2-43.5172.3-88.2-173.5136.1-70.50113V359 D360 K365 E366 D367V359-K363 HydrophobicContact CG1-CD 4.28Å; V359-K363 WeakPolarHBondContact O-CB 3.09Å; V359-K363 PolarHBondContact O-N 3.05Å; D360-K363 PolarHBondContact O-N 3.46Å; K363-K365 PolarHBondContact O-N 2.92Å; K363-E366 PolarHBondContact O-N 3.46Å; K363-D367 VanDerWaalsContact O-CB 3.25Å; K363-D367 WeakPolarHBondContact O-CB 3.44Å; K363-D367 VanDerWaalsContact O-CG 3.28Å; K363-D367 PolarHBondContact O-N 3.36Å
364E41.7Very low43.5Very low134 Ų134124.8 Ų124.863%0.62659%0.589SS**Hα-helixtrans-60.5-29.8177-70.5-176.8151.100111.6D360 D368D360-E364 PolarHBondContact O-N 3.39Å; E364-D368 WeakPolarHBondContact O-CB 3.39Å; E364-D368 PolarHBondContact O-N 3.1Å
365K41.3Very low44.3Very low105 Ų105121 Ų12146%0.45758%0.575SS.*Hα-helixtrans-81.3-37.6175.1-63-174.9-171.282.40113.6E361 N362 K363 E369E361-K365 WeakPolarHBondContact O-CG 3.41Å; E361-K365 PolarHBondContact O-NZ 3.38Å; N362-K365 PolarHBondContact O-N 2.57Å; K363-K365 PolarHBondContact O-N 2.92Å; K365-E369 VanDerWaalsContact O-CB 3.3Å; K365-E369 WeakPolarHBondContact O-CB 3.47Å; K365-E369 WeakPolarHBondContact O-CG 3.32Å; K365-E369 PolarHBondContact O-N 3.45Å
366E42.2Very low45.2Very low99 Ų99120.6 Ų120.646%0.46357%0.569SS.*Hα-helixtrans-66.9-41.3173.5-73.9162.5-16200110.9N362 K363 E370N362-E366 PolarHBondContact ND2-OE1 2.95Å; N362-E366 WeakPolarHBondContact O-CB 3.29Å; N362-E366 WeakPolarHBondContact O-CG 3.49Å; N362-E366 PolarHBondContact O-N 3.29Å; K363-E366 PolarHBondContact O-N 3.46Å; E366-E370 WeakPolarHBondContact O-CB 3.5Å; E366-E370 WeakPolarHBondContact O-CG 3.49Å; E366-E370 PolarHBondContact O-N 3.14Å
367D46.9Very low46.3Very low84 Ų84118.3 Ų118.345%0.44956%0.559SS.*Hα-helixtrans-68.2-40.6174.5-67.6-37.6000111.1K363 E370 E371K363-D367 VanDerWaalsContact O-CB 3.25Å; K363-D367 WeakPolarHBondContact O-CB 3.44Å; K363-D367 VanDerWaalsContact O-CG 3.28Å; K363-D367 PolarHBondContact O-N 3.36Å; D367-E370 PolarHBondContact O-N 3.44Å; D367-E371 PolarHBondContact O-N 3.45Å
368D47.8Very low47Very low112 Ų112114.3 Ų114.360%0.59954%0.542SS*.Hα-helixtrans-64.4-43.9172.7-85.8-14.6000112E364 E371 D372E364-D368 WeakPolarHBondContact O-CB 3.39Å; E364-D368 PolarHBondContact O-N 3.1Å; D368-E371 PolarHBondContact O-N 2.94Å; D368-D372 WeakPolarHBondContact O-CB 3.41Å; D368-D372 PolarHBondContact O-N 3.36Å
369E47.3Very low47.9Very low143 Ų143108.2 Ų108.267%0.66853%0.525SS*.Hα-helixtrans-68.3-33.6177.8-75.4-179.4-169.600111.9K365 E373K365-E369 VanDerWaalsContact O-CB 3.3Å; K365-E369 WeakPolarHBondContact O-CB 3.47Å; K365-E369 WeakPolarHBondContact O-CG 3.32Å; K365-E369 PolarHBondContact O-N 3.45Å; E369-E373 WeakPolarHBondContact O-CB 3.23Å; E369-E373 PolarHBondContact O-N 2.92Å
370E50.8Low48.8Very low135 Ų135110 Ų11063%0.63153%0.533SS*.Hα-helixtrans-70-39.4170.1-79.3-165.7-162.800112.8E366 D367 M374E366-E370 WeakPolarHBondContact O-CB 3.5Å; E366-E370 WeakPolarHBondContact O-CG 3.49Å; E366-E370 PolarHBondContact O-N 3.14Å; D367-E370 PolarHBondContact O-N 3.44Å; E370-M374 VanDerWaalsContact O-CB 3.24Å; E370-M374 WeakPolarHBondContact O-CB 3.32Å; E370-M374 VanDerWaalsContact O-CG 3.22Å; E370-M374 WeakPolarHBondContact O-CG 3.31Å; E370-M374 PolarHBondContact O-N 2.93Å
371E52.2Low49.9Very low144 Ų144110.7 Ų110.767%0.67354%0.536SS*.Hα-helixtrans-64.9-38.6172-77.3-148.2161.900111.4D367 D368 M374 E375D367-E371 PolarHBondContact O-N 3.45Å; D368-E371 PolarHBondContact O-N 2.94Å; E371-M374 CarbonylContact O-C 3.59Å; E371-M374 PolarHBondContact O-N 2.82Å; E371-E375 WeakPolarHBondContact O-CB 3.32Å; E371-E375 WeakPolarHBondContact O-CG 3.28Å; E371-E375 PolarHBondContact O-N 3.13Å
372D50.1Low50.7Low78 Ų78109.4 Ų109.442%0.41753%0.528SS..Hα-helixtrans-72.6-37.1179.2-152.361.9000112.2D368 R376D368-D372 WeakPolarHBondContact O-CB 3.41Å; D368-D372 PolarHBondContact O-N 3.36Å; D372-R376 WeakPolarHBondContact O-CB 3.19Å; D372-R376 WeakPolarHBondContact O-CD 3.13Å; D372-R376 WeakPolarHBondContact O-CG 3.45Å; D372-R376 PolarHBondContact O-N 2.91Å; D372-R376 IonicContact OD2-CZ 2.6Å; D372-R376 IonicContact OD2-NE 2.69Å; D372-R376 PolarHBondContact OD2-NE 3.14Å; D372-R376 IonicContact OD2-NH2 2.72Å; D372-R376 PolarHBondContact OD2-NH2 2.96Å
373E57.5Low51.4Low108 Ų108108 Ų10851%0.50553%0.529SS..Hα-helixtrans-63.7-39.4166.8-88.7-137.4136.300112.2E369 R376 K377E369-E373 WeakPolarHBondContact O-CB 3.23Å; E369-E373 PolarHBondContact O-N 2.92Å; E373-R376 PolarHBondContact O-N 3.34Å; E373-K377 WeakPolarHBondContact O-CB 3.49Å; E373-K377 VanDerWaalsContact O-CD 3.31Å; E373-K377 WeakPolarHBondContact O-CD 3.42Å; E373-K377 WeakPolarHBondContact O-CG 3.14Å; E373-K377 PolarHBondContact O-N 3.48Å; E373-K377 WeakPolarHBondContact OE2-CE 3.49Å; E373-K377 IonicContact OE2-NZ 2.77Å; E373-K377 PolarHBondContact OE2-NZ 2.72Å
374M52.9Low52.3Low133 Ų133108.9 Ų108.966%0.65554%0.535SS*.Hα-helixtrans-67.1-42176.2-81.6-101.9-80.100112.1E370 E371 K377 L378E370-M374 VanDerWaalsContact O-CB 3.24Å; E370-M374 WeakPolarHBondContact O-CB 3.32Å; E370-M374 VanDerWaalsContact O-CG 3.22Å; E370-M374 WeakPolarHBondContact O-CG 3.31Å; E370-M374 PolarHBondContact O-N 2.93Å; E371-M374 CarbonylContact O-C 3.59Å; E371-M374 PolarHBondContact O-N 2.82Å; M374-K377 PolarHBondContact O-N 2.85Å; M374-L378 WeakPolarHBondContact O-CB 3.35Å; M374-L378 PolarHBondContact O-N 2.89Å
375E52.7Low53.1Low127 Ų127108 Ų10859%0.59353%0.531SS*.Hα-helixtrans-60.8-43173.5-81.4-98.2119.900110.8E371 L378 A379E371-E375 WeakPolarHBondContact O-CB 3.32Å; E371-E375 WeakPolarHBondContact O-CG 3.28Å; E371-E375 PolarHBondContact O-N 3.13Å; E375-L378 CarbonylContact O-C 3.47Å; E375-L378 PolarHBondContact O-N 3.5Å; E375-A379 VanDerWaalsContact O-CB 3.28Å; E375-A379 WeakPolarHBondContact O-CB 3.28Å; E375-A379 PolarHBondContact O-N 3.06Å
376R57.2Low53.8Low159 Ų159106.4 Ų106.460%0.653%0.529SS*.Hα-helixtrans-63.1-51.4174.9-69.1164.6-165-155.96.7111.9D372 E373 L378 A379 D380D372-R376 WeakPolarHBondContact O-CB 3.19Å; D372-R376 WeakPolarHBondContact O-CD 3.13Å; D372-R376 WeakPolarHBondContact O-CG 3.45Å; D372-R376 PolarHBondContact O-N 2.91Å; D372-R376 IonicContact OD2-CZ 2.6Å; D372-R376 IonicContact OD2-NE 2.69Å; D372-R376 PolarHBondContact OD2-NE 3.14Å; D372-R376 IonicContact OD2-NH2 2.72Å; D372-R376 PolarHBondContact OD2-NH2 2.96Å; E373-R376 PolarHBondContact O-N 3.34Å; R376-L378 VanDerWaalsContact C-N 3.26Å; R376-L378 PolarHBondContact O-N 3.01Å; R376-A379 WeakPolarHBondContact O-CB 3.44Å; R376-A379 PolarHBondContact O-N 3.37Å; R376-D380 PolarHBondContact O-N 3.09Å
377K61.5Low54.5Low104 Ų104104.3 Ų104.345%0.45253%0.529SS..Hα-helixtrans-58.5-38.7175.8-69.3160.1-166.9168.20111.5E373 M374 L381E373-K377 WeakPolarHBondContact O-CB 3.49Å; E373-K377 VanDerWaalsContact O-CD 3.31Å; E373-K377 WeakPolarHBondContact O-CD 3.42Å; E373-K377 WeakPolarHBondContact O-CG 3.14Å; E373-K377 PolarHBondContact O-N 3.48Å; E373-K377 WeakPolarHBondContact OE2-CE 3.49Å; E373-K377 IonicContact OE2-NZ 2.77Å; E373-K377 PolarHBondContact OE2-NZ 2.72Å; M374-K377 PolarHBondContact O-N 2.85Å; K377-L381 WeakPolarHBondContact O-CB 3.43Å; K377-L381 VanDerWaalsContact O-CG 3.26Å; K377-L381 WeakPolarHBondContact O-CG 3.32Å; K377-L381 PolarHBondContact O-N 3.18Å
378L50.5Low55.3Low84 Ų84104.3 Ų104.344%0.4453%0.526SS..Hα-helixtrans-72.7-31176.8-167.972.7000112.3M374 E375 R376 K382M374-L378 WeakPolarHBondContact O-CB 3.35Å; M374-L378 PolarHBondContact O-N 2.89Å; E375-L378 CarbonylContact O-C 3.47Å; E375-L378 PolarHBondContact O-N 3.5Å; R376-L378 VanDerWaalsContact C-N 3.26Å; R376-L378 PolarHBondContact O-N 3.01Å; L378-K382 VanDerWaalsContact CD2-NZ 3.25Å; L378-K382 WeakPolarHBondContact O-CB 3.44Å; L378-K382 VanDerWaalsContact O-CD 3.26Å; L378-K382 WeakPolarHBondContact O-CD 3.14Å; L378-K382 WeakPolarHBondContact O-CG 3.42Å; L378-K382 PolarHBondContact O-N 3.45Å
379A54.5Low55.7Low52 Ų52103.5 Ų103.543%0.4352%0.521SS..Hα-helixtrans-70.8-43172.700000111.4E375 R376 K382 A383E375-A379 VanDerWaalsContact O-CB 3.28Å; E375-A379 WeakPolarHBondContact O-CB 3.28Å; E375-A379 PolarHBondContact O-N 3.06Å; R376-A379 WeakPolarHBondContact O-CB 3.44Å; R376-A379 PolarHBondContact O-N 3.37Å; A379-K382 CarbonylContact O-C 3.58Å; A379-K382 PolarHBondContact O-N 2.66Å; A379-A383 WeakPolarHBondContact O-CB 3.38Å; A379-A383 PolarHBondContact O-N 3.4Å
380D58.2Low56.2Low100 Ų100103.6 Ų103.654%0.53552%0.52SS..Hα-helixtrans-64.6-43.9174.7-76.5-28.9000111.7R376 K382 A383 Q384R376-D380 PolarHBondContact O-N 3.09Å; D380-K382 VanDerWaalsContact C-N 3.34Å; D380-K382 PolarHBondContact O-N 3.04Å; D380-A383 WeakPolarHBondContact O-CB 3.48Å; D380-A383 PolarHBondContact O-N 3.24Å; D380-A383 VanDerWaalsContact O-N 3.11Å; D380-Q384 WeakPolarHBondContact O-CB 3.49Å; D380-Q384 VanDerWaalsContact O-CG 3.28Å; D380-Q384 WeakPolarHBondContact O-CG 3.29Å; D380-Q384 PolarHBondContact O-N 2.91Å
381L62.8Low56.9Low106 Ų106105.4 Ų105.456%0.55552%0.521SS*.Hα-helixtrans-60.4-41173-75168.9000112.1K377 Q384 E385K377-L381 WeakPolarHBondContact O-CB 3.43Å; K377-L381 VanDerWaalsContact O-CG 3.26Å; K377-L381 WeakPolarHBondContact O-CG 3.32Å; K377-L381 PolarHBondContact O-N 3.18Å; L381-Q384 PolarHBondContact O-N 3.3Å; L381-E385 WeakPolarHBondContact O-CB 3.25Å; L381-E385 PolarHBondContact O-N 2.89Å
382K54.6Low57.5Low102 Ų102103.7 Ų103.744%0.44351%0.511SS..Hα-helixtrans-66.2-36.3172.4-72.8162-170.1153.40112.2L378 A379 D380 E385 V386L378-K382 VanDerWaalsContact CD2-NZ 3.25Å; L378-K382 WeakPolarHBondContact O-CB 3.44Å; L378-K382 VanDerWaalsContact O-CD 3.26Å; L378-K382 WeakPolarHBondContact O-CD 3.14Å; L378-K382 WeakPolarHBondContact O-CG 3.42Å; L378-K382 PolarHBondContact O-N 3.45Å; A379-K382 CarbonylContact O-C 3.58Å; A379-K382 PolarHBondContact O-N 2.66Å; D380-K382 VanDerWaalsContact C-N 3.34Å; D380-K382 PolarHBondContact O-N 3.04Å; K382-E385 PolarHBondContact O-N 2.8Å; K382-V386 WeakPolarHBondContact O-CB 3.21Å; K382-V386 VanDerWaalsContact O-CG2 3.25Å; K382-V386 WeakPolarHBondContact O-CG2 3.33Å; K382-V386 PolarHBondContact O-N 2.9Å
383A55.3Low58.1Low58 Ų58106.8 Ų106.848%0.47952%0.521SS..Hα-helixtrans-67.7-41.8177.400000111A379 D380 V386 A387A379-A383 WeakPolarHBondContact O-CB 3.38Å; A379-A383 PolarHBondContact O-N 3.4Å; D380-A383 WeakPolarHBondContact O-CB 3.48Å; D380-A383 PolarHBondContact O-N 3.24Å; D380-A383 VanDerWaalsContact O-N 3.11Å; A383-V386 PolarHBondContact O-N 3.3Å; A383-A387 VanDerWaalsContact O-CB 3.29Å; A383-A387 WeakPolarHBondContact O-CB 3.45Å; A383-A387 PolarHBondContact O-N 2.94Å
384Q60.6Low58.2Low119 Ų119111.2 Ų111.256%0.55653%0.533SS*.Hα-helixtrans-62.8-47.1171.5-69.3173.321.300111.2D380 L381 V386 A387 E388D380-Q384 WeakPolarHBondContact O-CB 3.49Å; D380-Q384 VanDerWaalsContact O-CG 3.28Å; D380-Q384 WeakPolarHBondContact O-CG 3.29Å; D380-Q384 PolarHBondContact O-N 2.91Å; L381-Q384 PolarHBondContact O-N 3.3Å; Q384-V386 VanDerWaalsContact C-N 3.34Å; Q384-V386 PolarHBondContact O-N 3.06Å; Q384-A387 PolarHBondContact O-N 3.05Å; Q384-E388 VanDerWaalsContact O-CB 3.31Å; Q384-E388 WeakPolarHBondContact O-CB 3.46Å; Q384-E388 WeakPolarHBondContact O-CG 3.38Å; Q384-E388 PolarHBondContact O-N 3.28Å
385E58.9Low58.7Low117 Ų117111.7 Ų111.755%0.54753%0.531SS..Hα-helixtrans-59.8-42.6175.4-168.5-169.3-177.100111.5L381 K382 E388 L389L381-E385 WeakPolarHBondContact O-CB 3.25Å; L381-E385 PolarHBondContact O-N 2.89Å; K382-E385 PolarHBondContact O-N 2.8Å; E385-E388 WeakPolarHBondContact O-CB 3.43Å; E385-E388 PolarHBondContact O-N 3.09Å; E385-L389 HydrophobicContact CG-CD1 4.11Å; E385-L389 WeakPolarHBondContact O-CB 3.22Å; E385-L389 WeakPolarHBondContact O-CG 3.49Å; E385-L389 PolarHBondContact O-N 3.41Å
386V56.3Low59Low70 Ų70109.8 Ų109.842%0.42453%0.525SS..Hα-helixtrans-67.9-36.8176167.70000111.7K382 A383 Q384 L389 K390K382-V386 WeakPolarHBondContact O-CB 3.21Å; K382-V386 VanDerWaalsContact O-CG2 3.25Å; K382-V386 WeakPolarHBondContact O-CG2 3.33Å; K382-V386 PolarHBondContact O-N 2.9Å; A383-V386 PolarHBondContact O-N 3.3Å; Q384-V386 VanDerWaalsContact C-N 3.34Å; Q384-V386 PolarHBondContact O-N 3.06Å; V386-L389 PolarHBondContact O-N 3.42Å; V386-K390 HydrophobicContact CG1-CD 4.22Å; V386-K390 WeakPolarHBondContact O-CB 3.29Å; V386-K390 VanDerWaalsContact O-CG 3.22Å; V386-K390 WeakPolarHBondContact O-CG 2.97Å; V386-K390 PolarHBondContact O-N 2.87Å
387A55.3Low58.9Low55 Ų55106.8 Ų106.846%0.45552%0.52SS..Hα-helixtrans-67.2-42.8174.200000111.7A383 Q384 K390 R391A383-A387 VanDerWaalsContact O-CB 3.29Å; A383-A387 WeakPolarHBondContact O-CB 3.45Å; A383-A387 PolarHBondContact O-N 2.94Å; Q384-A387 PolarHBondContact O-N 3.05Å; A387-K390 CarbonylContact O-C 3.51Å; A387-K390 WeakPolarHBondContact O-CB 3.38Å; A387-K390 PolarHBondContact O-N 2.93Å; A387-R391 WeakPolarHBondContact O-CB 3.43Å; A387-R391 PolarHBondContact O-N 3.48Å
388E64.8Low59Low84 Ų84109 Ų10939%0.39353%0.529SS..Hα-helixtrans-57.1-50.3169.9-88.2-113.394.900111.6Q384 E385 K390 R391 K392Q384-E388 VanDerWaalsContact O-CB 3.31Å; Q384-E388 WeakPolarHBondContact O-CB 3.46Å; Q384-E388 WeakPolarHBondContact O-CG 3.38Å; Q384-E388 PolarHBondContact O-N 3.28Å; E385-E388 WeakPolarHBondContact O-CB 3.43Å; E385-E388 PolarHBondContact O-N 3.09Å; E388-K390 VanDerWaalsContact C-N 3.31Å; E388-K390 PolarHBondContact O-N 3.2Å; E388-R391 CarbonylContact O-C 3.55Å; E388-R391 WeakPolarHBondContact O-CB 3.45Å; E388-R391 PolarHBondContact O-N 3.16Å; E388-R391 VanDerWaalsContact O-N 3.09Å; E388-K392 VanDerWaalsContact CD-NZ 3.3Å; E388-K392 VanDerWaalsContact O-CB 3.29Å; E388-K392 WeakPolarHBondContact O-CB 3.44Å; E388-K392 VanDerWaalsContact O-CG 3.24Å; E388-K392 WeakPolarHBondContact O-CG 3.4Å; E388-K392 PolarHBondContact O-N 2.99Å; E388-K392 WeakPolarHBondContact OE1-CE 3.21Å; E388-K392 IonicContact OE1-NZ 2.63Å; E388-K392 PolarHBondContact OE1-NZ 3.17Å; E388-K392 WeakPolarHBondContact OE2-CE 3.46Å; E388-K392 IonicContact OE2-NZ 3.65Å; E388-K392 PolarHBondContact OE2-NZ 3.18Å
389L55.1Low59.5Low95 Ų95109.6 Ų109.650%0.49753%0.53SS..Hα-helixtrans-63.8-36.1177.8-72.8169.5000111.5E385 V386 K393E385-L389 HydrophobicContact CG-CD1 4.11Å; E385-L389 WeakPolarHBondContact O-CB 3.22Å; E385-L389 WeakPolarHBondContact O-CG 3.49Å; E385-L389 PolarHBondContact O-N 3.41Å; V386-L389 PolarHBondContact O-N 3.42Å; L389-K393 WeakPolarHBondContact O-CB 3.45Å; L389-K393 PolarHBondContact O-N 3.33Å
390K58.8Low59.8Low145 Ų145112.2 Ų112.263%0.6353%0.532SS*.Hα-helixtrans-63.2-45168.9-74.7168.4-179.7178.30111.4V386 A387 E388 K393 R394V386-K390 HydrophobicContact CG1-CD 4.22Å; V386-K390 WeakPolarHBondContact O-CB 3.29Å; V386-K390 VanDerWaalsContact O-CG 3.22Å; V386-K390 WeakPolarHBondContact O-CG 2.97Å; V386-K390 PolarHBondContact O-N 2.87Å; A387-K390 CarbonylContact O-C 3.51Å; A387-K390 WeakPolarHBondContact O-CB 3.38Å; A387-K390 PolarHBondContact O-N 2.93Å; E388-K390 VanDerWaalsContact C-N 3.31Å; E388-K390 PolarHBondContact O-N 3.2Å; K390-K393 PolarHBondContact O-N 3.27Å; K390-R394 WeakPolarHBondContact O-CB 3.4Å; K390-R394 PolarHBondContact O-N 3.45Å
391R66.3Low59.9Low174 Ų174116 Ų11666%0.65754%0.539SS*.Hα-helixtrans-63.9-45.8178.3-163.7178.9-171.4-161.35.1111.4A387 E388 R394 K395A387-R391 WeakPolarHBondContact O-CB 3.43Å; A387-R391 PolarHBondContact O-N 3.48Å; E388-R391 CarbonylContact O-C 3.55Å; E388-R391 WeakPolarHBondContact O-CB 3.45Å; E388-R391 PolarHBondContact O-N 3.16Å; E388-R391 VanDerWaalsContact O-N 3.09Å; R391-R394 PolarHBondContact O-N 3.19Å; R391-K395 PolarHBondContact O-N 3.1Å
392K64.4Low60Low108 Ų108116.9 Ų116.947%0.4754%0.538SS..Hα-helixtrans-62.1-44.9174.8-70.6163.5178.1171.90110.8E388 K395 L396E388-K392 VanDerWaalsContact CD-NZ 3.3Å; E388-K392 VanDerWaalsContact O-CB 3.29Å; E388-K392 WeakPolarHBondContact O-CB 3.44Å; E388-K392 VanDerWaalsContact O-CG 3.24Å; E388-K392 WeakPolarHBondContact O-CG 3.4Å; E388-K392 PolarHBondContact O-N 2.99Å; E388-K392 WeakPolarHBondContact OE1-CE 3.21Å; E388-K392 IonicContact OE1-NZ 2.63Å; E388-K392 PolarHBondContact OE1-NZ 3.17Å; E388-K392 WeakPolarHBondContact OE2-CE 3.46Å; E388-K392 IonicContact OE2-NZ 3.65Å; E388-K392 PolarHBondContact OE2-NZ 3.18Å; K392-K395 PolarHBondContact O-N 3.36Å; K392-L396 WeakPolarHBondContact O-CB 3.3Å; K392-L396 PolarHBondContact O-N 3.37Å
393K61.8Low60Low143 Ų143116 Ų11662%0.62254%0.535SS*.Hα-helixtrans-63.1-39.6173-175.2179.7177.8-174.10112.8L389 K390 L396 L397L389-K393 WeakPolarHBondContact O-CB 3.45Å; L389-K393 PolarHBondContact O-N 3.33Å; K390-K393 PolarHBondContact O-N 3.27Å; K393-L396 PolarHBondContact O-N 3.46Å; K393-L397 HydrophobicContact CG-CD1 4.21Å; K393-L397 WeakPolarHBondContact O-CB 3.48Å; K393-L397 WeakPolarHBondContact O-CG 3.37Å; K393-L397 PolarHBondContact O-N 3.42Å
394R60.2Low60Low200 Ų200121.2 Ų121.276%0.75554%0.543SS*.Hα-helixtrans-65.8-42.8175.4-166.6177.6-176-166.61.3111.4K390 R391 L397 K398K390-R394 WeakPolarHBondContact O-CB 3.4Å; K390-R394 PolarHBondContact O-N 3.45Å; R391-R394 PolarHBondContact O-N 3.19Å; R394-L397 PolarHBondContact O-N 2.86Å; R394-K398 WeakPolarHBondContact O-CB 3.23Å; R394-K398 PolarHBondContact O-N 3.36Å
395K63.5Low59.7Low144 Ų144120.3 Ų120.363%0.62654%0.539SS*.Hα-helixtrans-57.7-51.8171.2-75.1-175.7177.2-176.10111.1R391 K392 L397 K398 E399R391-K395 PolarHBondContact O-N 3.1Å; K392-K395 PolarHBondContact O-N 3.36Å; K395-L397 VanDerWaalsContact C-N 3.33Å; K395-L397 PolarHBondContact O-N 3.38Å; K395-K398 PolarHBondContact O-N 3.23Å; K395-K398 VanDerWaalsContact O-N 3.14Å; K395-E399 PolarHBondContact O-N 3.14Å
396L57.7Low59.9Low86 Ų86120.2 Ų120.245%0.4553%0.533SS..Hα-helixtrans-63-35.3-178.8-148172.5000112.5K392 K393 K400K392-L396 WeakPolarHBondContact O-CB 3.3Å; K392-L396 PolarHBondContact O-N 3.37Å; K393-L396 PolarHBondContact O-N 3.46Å; L396-K400 HydrophobicContact CD2-CD 3.66Å; L396-K400 VanDerWaalsContact CD2-CE 3.42Å; L396-K400 HydrophobicContact CD2-CG 4.06Å; L396-K400 WeakPolarHBondContact O-CB 3.34Å; L396-K400 WeakPolarHBondContact O-CG 3.31Å; L396-K400 PolarHBondContact O-N 3.45Å
397L56.1Low60.2Low97 Ų97120 Ų12051%0.50853%0.532SS..Hα-helixtrans-70.8-40.4172.6-77.5168.1000112.9K393 R394 K395 E399 K400 R401K393-L397 HydrophobicContact CG-CD1 4.21Å; K393-L397 WeakPolarHBondContact O-CB 3.48Å; K393-L397 WeakPolarHBondContact O-CG 3.37Å; K393-L397 PolarHBondContact O-N 3.42Å; R394-L397 PolarHBondContact O-N 2.86Å; K395-L397 VanDerWaalsContact C-N 3.33Å; K395-L397 PolarHBondContact O-N 3.38Å; L397-E399 VanDerWaalsContact C-N 3.28Å; L397-E399 PolarHBondContact O-N 2.89Å; L397-K400 PolarHBondContact O-N 2.84Å; L397-R401 PolarHBondContact O-N 2.89Å
398K63.5Low60.4Low149 Ų149125.4 Ų125.465%0.64855%0.548SS*.Hα-helixtrans-61.1-39173.8-166.4171.4-174174.50110.6R394 K395 R401 K402R394-K398 WeakPolarHBondContact O-CB 3.23Å; R394-K398 PolarHBondContact O-N 3.36Å; K395-K398 PolarHBondContact O-N 3.23Å; K395-K398 VanDerWaalsContact O-N 3.14Å; K398-R401 PolarHBondContact O-N 3.41Å; K398-K402 PolarHBondContact O-N 3.33Å; K398-K402 VanDerWaalsContact O-N 3.07Å
399E60.8Low60.6Low97 Ų97127 Ų12745%0.45356%0.558SS.*Hα-helixtrans-67.5-49.1173.9-157.6-161.8154.600112.5K395 L397 R401 K402 Q403K395-E399 PolarHBondContact O-N 3.14Å; L397-E399 VanDerWaalsContact C-N 3.28Å; L397-E399 PolarHBondContact O-N 2.89Å; E399-R401 PolarHBondContact O-N 2.85Å; E399-R401 VanDerWaalsContact O-N 3.14Å; E399-K402 CarbonylContact O-C 3.59Å; E399-K402 PolarHBondContact O-N 3.33Å; E399-Q403 WeakPolarHBondContact O-CG 3.39Å; E399-Q403 PolarHBondContact O-N 3.43Å; E399-Q403 PolarHBondContact OE1-NE2 3.35Å
400K61.3Low60.6Low108 Ų108128.7 Ų128.747%0.4756%0.562SS.*Hα-helixtrans-63.9-15.5174.6-78.6178.8175.2171.80114.1L396 L397 R404L396-K400 HydrophobicContact CD2-CD 3.66Å; L396-K400 VanDerWaalsContact CD2-CE 3.42Å; L396-K400 HydrophobicContact CD2-CG 4.06Å; L396-K400 WeakPolarHBondContact O-CB 3.34Å; L396-K400 WeakPolarHBondContact O-CG 3.31Å; L396-K400 PolarHBondContact O-N 3.45Å; L397-K400 PolarHBondContact O-N 2.84Å; K400-R404 WeakPolarHBondContact O-CG 3.46Å; K400-R404 PolarHBondContact O-N 3.48Å; K400-R404 PolarHBondContact O-NE 3.2Å
401R60.3Low60.2Low180 Ų180128.6 Ų128.668%0.67957%0.565SS**Hα-helixtrans-77.3-54.8165.6-177.1172.5170.1174.6-5.4110L397 K398 E399 Q403 R404 E405L397-R401 PolarHBondContact O-N 2.89Å; K398-R401 PolarHBondContact O-N 3.41Å; E399-R401 PolarHBondContact O-N 2.85Å; E399-R401 VanDerWaalsContact O-N 3.14Å; R401-Q403 VanDerWaalsContact C-N 3.26Å; R401-Q403 PolarHBondContact O-N 3.43Å; R401-R404 PolarHBondContact O-N 3.4Å; R401-E405 WeakPolarHBondContact O-CB 3.43Å; R401-E405 PolarHBondContact O-N 2.92Å
402K63.9Low59.3Low123 Ų123122.9 Ų122.954%0.53555%0.548SS..Hα-helixtrans-56.1-34.1176.2-72.8-171.1174.5-169.50113.9K398 E399 R406K398-K402 PolarHBondContact O-N 3.33Å; K398-K402 VanDerWaalsContact O-N 3.07Å; E399-K402 CarbonylContact O-C 3.59Å; E399-K402 PolarHBondContact O-N 3.33Å; K402-R406 PolarHBondContact O-N 2.9Å; K402-R406 VanDerWaalsContact O-N 3.08Å
403Q55.5Low58.3Low84 Ų84124.2 Ų124.239%0.39356%0.559SS.*Hα-helixtrans-70.8-44.3174.6-70176.43.400111.8E399 R401 E405 R406 V407E399-Q403 WeakPolarHBondContact O-CG 3.39Å; E399-Q403 PolarHBondContact O-N 3.43Å; E399-Q403 PolarHBondContact OE1-NE2 3.35Å; R401-Q403 VanDerWaalsContact C-N 3.26Å; R401-Q403 PolarHBondContact O-N 3.43Å; Q403-E405 VanDerWaalsContact C-N 3.34Å; Q403-E405 PolarHBondContact O-N 2.81Å; Q403-R406 PolarHBondContact O-N 3.09Å; Q403-V407 WeakPolarHBondContact O-CG2 3.49Å; Q403-V407 PolarHBondContact O-N 3.42Å
404R56.1Low57.1Low168 Ų168122.8 Ų122.863%0.63457%0.565SS**Hα-helixtrans-64-40.1175.6-84-177.4-76.3179-1.5112.1K400 R401 V407 E408K400-R404 WeakPolarHBondContact O-CG 3.46Å; K400-R404 PolarHBondContact O-N 3.48Å; K400-R404 PolarHBondContact O-NE 3.2Å; R401-R404 PolarHBondContact O-N 3.4Å; R404-V407 PolarHBondContact O-N 2.88Å; R404-E408 WeakPolarHBondContact O-CB 3.48Å; R404-E408 PolarHBondContact O-N 2.78Å
405E53.4Low56.5Low100 Ų100117.1 Ų117.147%0.46757%0.569SS.*Hα-helixtrans-63.8-42176.2-170.8166.7-162.400111.9R401 Q403 V407 E408 L409R401-E405 WeakPolarHBondContact O-CB 3.43Å; R401-E405 PolarHBondContact O-N 2.92Å; Q403-E405 VanDerWaalsContact C-N 3.34Å; Q403-E405 PolarHBondContact O-N 2.81Å; E405-V407 PolarHBondContact O-N 2.87Å; E405-E408 PolarHBondContact O-N 3.3Å; E405-L409 HydrophobicContact CG-CD1 4.29Å; E405-L409 WeakPolarHBondContact O-CB 3.47Å; E405-L409 VanDerWaalsContact O-CG 3.26Å; E405-L409 WeakPolarHBondContact O-CG 3.41Å; E405-L409 PolarHBondContact O-N 3.42Å
406R63.1Low55.6Low114 Ų114115.3 Ų115.343%0.4357%0.569SS.*Hα-helixtrans-61.8-38.6170.8-84.9-173.3-93.4168.4-14.7113.6K402 Q403 L409 K410 M411 D412K402-R406 PolarHBondContact O-N 2.9Å; K402-R406 VanDerWaalsContact O-N 3.08Å; Q403-R406 PolarHBondContact O-N 3.09Å; R406-L409 CarbonylContact O-C 3.5Å; R406-K410 PolarHBondContact O-N 2.83Å; R406-M411 HydrophobicContact CB-CB 4.47Å; R406-M411 PolarHBondContact O-N 3.39Å; R406-D412 WeakPolarHBondContact CB-OD2 3.48Å; R406-D412 IonicContact NH1-OD2 2.6Å
407V62.3Low54.6Low65 Ų65116.6 Ų116.639%0.39459%0.586SS.*Hα-helixtrans-70.6-37.8175.6171.30000111.8Q403 R404 E405 K410 D412Q403-V407 WeakPolarHBondContact O-CG2 3.49Å; Q403-V407 PolarHBondContact O-N 3.42Å; R404-V407 PolarHBondContact O-N 2.88Å; E405-V407 PolarHBondContact O-N 2.87Å; V407-K410 WeakPolarHBondContact O-CA 3.42Å; V407-K410 PolarHBondContact O-N 2.75Å; V407-D412 HydrophobicContact CG2-CB 4.13Å
408E60Low53.8Low169 Ų169118.6 Ų118.679%0.7960%0.595SS**Hα-helixtrans-67.5-36.5175.3-175.6164.7-163.100112R404 E405 K410R404-E408 WeakPolarHBondContact O-CB 3.48Å; R404-E408 PolarHBondContact O-N 2.78Å; E405-E408 PolarHBondContact O-N 3.3Å; E408-K410 PolarHBondContact O-N 2.97Å
409L69.6Low52.7Low118 Ų118115.8 Ų115.862%0.61860%0.6SS**THydrogen-bonded Turntrans-76.43.6168.9-65.8170.7000113.8E405 R406 M411E405-L409 HydrophobicContact CG-CD1 4.29Å; E405-L409 WeakPolarHBondContact O-CB 3.47Å; E405-L409 VanDerWaalsContact O-CG 3.26Å; E405-L409 WeakPolarHBondContact O-CG 3.41Å; E405-L409 PolarHBondContact O-N 3.42Å; R406-L409 CarbonylContact O-C 3.5Å; L409-M411 HydrophobicContact CB-CG 4.29Å; L409-M411 PolarHBondContact O-N 3.07Å
410K54.7Low51.5Low130 Ų130113.9 Ų113.957%0.56561%0.606SS**THydrogen-bonded Turntrans5717.4-177.4-54.8175.3170.8-179.70116.3R406 V407 E408 D412 E542R406-K410 PolarHBondContact O-N 2.83Å; V407-K410 WeakPolarHBondContact O-CA 3.42Å; V407-K410 PolarHBondContact O-N 2.75Å; E408-K410 PolarHBondContact O-N 2.97Å; K410-D412 VanDerWaalsContact C-N 3.29Å; K410-D412 PolarHBondContact O-N 3.15Å; K410-E542 WeakPolarHBondContact CD-OE1 3.36Å; K410-E542 IonicContact NZ-OE1 3.36Å; K410-E542 PolarHBondContact NZ-OE1 3.13Å; K410-E542 IonicContact NZ-OE2 2.86Å; K410-E542 PolarHBondContact NZ-OE2 2.86Å
411M49.9Very low50.5Low144 Ų144114.7 Ų114.771%0.70962%0.62SS**SBendtrans-68.5-33.5178.8-62.9-16873.400111.6R406 L409R406-M411 HydrophobicContact CB-CB 4.47Å; R406-M411 PolarHBondContact O-N 3.39Å; L409-M411 HydrophobicContact CB-CG 4.29Å; L409-M411 PolarHBondContact O-N 3.07Å
412D48.1Very low49.5Very low54 Ų54111.1 Ų111.129%0.28962%0.619SS.*SBendtrans-113.2131.7175.7-69.8-57.2000111.2R406 V407 K410R406-D412 WeakPolarHBondContact CB-OD2 3.48Å; R406-D412 IonicContact NH1-OD2 2.6Å; V407-D412 HydrophobicContact CG2-CB 4.13Å; K410-D412 VanDerWaalsContact C-N 3.29Å; K410-D412 PolarHBondContact O-N 3.15Å
413L41.8Very low48.4Very low135 Ų135111.1 Ų111.171%0.70763%0.625SS**  trans-80.3127174.8-81.7166.4000110.6G415 V416L413-G415 PolarHBondContact O-N 3.48Å; L413-V416 PolarHBondContact O-N 3.45Å
414P37.3Very low47.8Very low114 Ų114111.4 Ų111.474%0.7464%0.636SS**THydrogen-bonded Turntrans-64.8112-178.326-34000110.8
415G48.5Very low47.3Very low81 Ų81107.5 Ų107.584%0.83564%0.635SS**THydrogen-bonded Turntrans116.72.1-179.300000115.7L413L413-G415 PolarHBondContact O-N 3.48Å
416V43Very low47.2Very low105 Ų105109.6 Ų109.664%0.63665%0.648SS**  trans-109.594.1170-175.10000109.8L413 I418L413-V416 PolarHBondContact O-N 3.45Å; V416-I418 PolarHBondContact O-N 2.88Å
417S37.9Very low46.2Very low114 Ų114113.7 Ų113.780%0.79767%0.669SS**  trans-76.5102.7171.953.20000110.5A419S417-A419 PolarHBondContact O-N 2.82Å
418I38Very low45.5Very low138 Ų138112.6 Ų112.671%0.70866%0.664SS**  trans-70.8116.2159.7-61.2175.5000106.5V416V416-I418 PolarHBondContact O-N 2.88Å
419A40.7Very low45.1Very low91 Ų91111.7 Ų111.775%0.75266%0.664SS**  trans-88.7142.4176.300000110.4S417S417-A419 PolarHBondContact O-N 2.82Å
420G37.1Very low44.4Very low57 Ų57110.1 Ų110.159%0.58866%0.663SS**  trans69.386.9165.500000116T422G420-T422 VanDerWaalsContact C-N 3.28Å; G420-T422 PolarHBondContact O-N 3.35Å
421T40Very low44.3Very low124 Ų124108.4 Ų108.476%0.76167%0.668SS**  trans-94.160156.156.80000110.1
422T39Very low44.4Very low106 Ų106105.3 Ų105.365%0.6565%0.654SS**  trans-81-37.8169.337.30000110.9G420 S424G420-T422 VanDerWaalsContact C-N 3.28Å; G420-T422 PolarHBondContact O-N 3.35Å; T422-S424 PolarHBondContact O-N 3.38Å
423D40.5Very low44.5Very low123 Ų123112 Ų11266%0.65868%0.68SS**G310 helixtrans-81.8-1-165.3-53.19.6000113S425D423-S425 PolarHBondContact O-N 2.91Å
424S44Very low45.3Very low90 Ų90113.1 Ų113.163%0.62968%0.679SS**G310 helixtrans-73.2-5.1174.251.30000114.1T422 L426T422-S424 PolarHBondContact O-N 3.38Å; S424-L426 VanDerWaalsContact C-N 3.29Å; S424-L426 PolarHBondContact O-N 2.82Å
425S44.9Very low46.2Very low86 Ų86116.1 Ų116.160%0.60168%0.684SS**G310 helixtrans-70.8-23.9176-148.60000113.2D423 F427 S428D423-S425 PolarHBondContact O-N 2.91Å; S425-F427 PolarHBondContact O-N 3.37Å; S425-F427 VanDerWaalsContact O-N 3.1Å; S425-S428 PolarHBondContact O-N 2.85Å; S425-S428 PolarHBondContact O-OG 2.88Å
426L50.5Low46.6Very low143 Ų143119.7 Ų119.775%0.74968%0.678SS**G310 helixtrans-67.2-7.4-177.5-67.6172.1000115S424S424-L426 VanDerWaalsContact C-N 3.29Å; S424-L426 PolarHBondContact O-N 2.82Å
427F42.8Very low47.2Very low200 Ų200118 Ų11888%0.87767%0.668SS**G310 helixtrans-133.442.2176.1-75.2-79000111.9S425S425-F427 PolarHBondContact O-N 3.37Å; S425-F427 VanDerWaalsContact O-N 3.1Å
428S47.7Very low48.1Very low42 Ų42117.2 Ų117.229%0.29465%0.654SS.*  trans-92.295.2175.955.70000111.7S425 S430 S431S425-S428 PolarHBondContact O-N 2.85Å; S425-S428 PolarHBondContact O-OG 2.88Å; S428-S430 PolarHBondContact O-N 3.25Å; S428-S431 PolarHBondContact O-N 2.86Å; S428-S431 VanDerWaalsContact O-N 3.1Å; S428-S431 PolarHBondContact O-OG 2.86Å; S428-S431 PolarHBondContact OG-OG 2.9Å
429L51.6Low49.1Very low150 Ų150113.9 Ų113.979%0.78564%0.641SS**G310 helixtrans-58.8-10.2177.3-77.1169.3000114.5S431 L432L429-S431 VanDerWaalsContact C-N 3.25Å; L429-S431 PolarHBondContact O-N 2.84Å; L429-L432 HydrophobicContact CD2-CD1 4.15Å
430S54.5Low49.9Very low85 Ų85112.8 Ų112.859%0.59462%0.622SS**G310 helixtrans-61.6-29.317142.80000113.8S428 L432S428-S430 PolarHBondContact O-N 3.25Å; S430-L432 VanDerWaalsContact C-N 3.3Å; S430-L432 PolarHBondContact O-N 2.95Å
431S52.3Low50.8Low95 Ų95114.1 Ų114.166%0.66462%0.615SS**G310 helixtrans-79.7-8.8-171.4-49.50000114S428 L429S428-S431 PolarHBondContact O-N 2.86Å; S428-S431 VanDerWaalsContact O-N 3.1Å; S428-S431 PolarHBondContact O-OG 2.86Å; S428-S431 PolarHBondContact OG-OG 2.9Å; L429-S431 VanDerWaalsContact C-N 3.25Å; L429-S431 PolarHBondContact O-N 2.84Å
432L52.1Low51.6Low79 Ų79112.9 Ų112.941%0.41461%0.611SS.*G310 helixtrans-92.711.1-176.6-77.4162.2000114.2L429 S430 K434L429-L432 HydrophobicContact CD2-CD1 4.15Å; S430-L432 VanDerWaalsContact C-N 3.3Å; S430-L432 PolarHBondContact O-N 2.95Å; L432-K434 PolarHBondContact O-N 2.79Å
433K50.8Low52.4Low194 Ų194115.2 Ų115.284%0.84361%0.613SS**  trans-78.841.8-176.8-72.2-168.4170.6-170.10115
434K57.8Low52.7Low158 Ų158112.3 Ų112.369%0.68761%0.612SS**  trans-118.8111.7161.6-77.4-173.6178.3178.70108.6L432 Q436 V437 L438L432-K434 PolarHBondContact O-N 2.79Å; K434-Q436 VanDerWaalsContact C-N 3.29Å; K434-Q436 PolarHBondContact O-N 3.32Å; K434-V437 HydrophobicContact CB-CB 4.42Å; K434-V437 HydrophobicContact CB-CG2 3.98Å; K434-V437 PolarHBondContact O-N 3.16Å; K434-L438 PolarHBondContact O-N 3.29Å
435Q55.7Low53Low178 Ų178112.3 Ų112.383%0.83260%0.604SS**Hα-helixtrans-62.4-33.7-165.1-156.1165.8-13.600113.2L438 T439Q435-L438 PolarHBondContact O-N 3.32Å; Q435-T439 PolarHBondContact O-N 3.2Å; Q435-T439 VanDerWaalsContact O-N 3.14Å
436Q57.1Low53.6Low155 Ų155115.9 Ų115.972%0.72461%0.614SS**Hα-helixtrans-66.5-47.2175.6-68.8169.2-5900112.9K434 L438 T439 D440K434-Q436 VanDerWaalsContact C-N 3.29Å; K434-Q436 PolarHBondContact O-N 3.32Å; Q436-L438 PolarHBondContact O-N 2.86Å; Q436-T439 WeakPolarHBondContact CA-OG1 3.4Å; Q436-T439 PolarHBondContact O-N 2.85Å; Q436-T439 PolarHBondContact O-OG1 2.91Å; Q436-D440 PolarHBondContact O-N 3.42Å
437V57.4Low53.5Low69 Ų69117.5 Ų117.542%0.41862%0.618SS.*Hα-helixtrans-58.3-35.2177.9-177.30000110.9K434 I441K434-V437 HydrophobicContact CB-CB 4.42Å; K434-V437 HydrophobicContact CB-CG2 3.98Å; K434-V437 PolarHBondContact O-N 3.16Å; V437-I441 HydrophobicContact CG1-CD1 3.85Å; V437-I441 WeakPolarHBondContact O-CB 3.44Å; V437-I441 VanDerWaalsContact O-CG1 3.31Å; V437-I441 WeakPolarHBondContact O-CG1 3.38Å; V437-I441 PolarHBondContact O-N 2.86Å; V437-I441 VanDerWaalsContact O-N 3.12Å
438L55.2Low54Low98 Ų98111.3 Ų111.351%0.51360%0.603SS.*Hα-helixtrans-72.2-36.6177-147.1155.6000112K434 Q435 Q436 S442K434-L438 PolarHBondContact O-N 3.29Å; Q435-L438 PolarHBondContact O-N 3.32Å; Q436-L438 PolarHBondContact O-N 2.86Å; L438-S442 WeakPolarHBondContact O-CB 3.3Å; L438-S442 PolarHBondContact O-N 3.43Å; L438-S442 VanDerWaalsContact O-N 3.12Å
439T59.4Low54.1Low68 Ų68113 Ų11342%0.41762%0.619SS.*Hα-helixtrans-69.5-29.6173.650.60000113.9Q435 Q436 K443Q435-T439 PolarHBondContact O-N 3.2Å; Q435-T439 VanDerWaalsContact O-N 3.14Å; Q436-T439 WeakPolarHBondContact CA-OG1 3.4Å; Q436-T439 PolarHBondContact O-N 2.85Å; Q436-T439 PolarHBondContact O-OG1 2.91Å; T439-K443 WeakPolarHBondContact O-CE 3.03Å; T439-K443 WeakPolarHBondContact O-CG 3.45Å; T439-K443 PolarHBondContact O-N 3.08Å
440D56.8Low53.7Low68 Ų68109.2 Ų109.236%0.36462%0.617SS.*Hα-helixtrans-87-39-174.7-59.7-30.3000111.6Q436 S442 K443Q436-D440 PolarHBondContact O-N 3.42Å; D440-S442 PolarHBondContact O-N 3.11Å; D440-K443 PolarHBondContact O-N 2.8Å; D440-K443 IonicContact OD1-NZ 2.68Å; D440-K443 PolarHBondContact OD1-NZ 3.34Å
441I57.7Low53.2Low86 Ų86112.2 Ų112.244%0.44163%0.626SS.*Hα-helixtrans-59.7-36164.9-66171.6000110.7V437 K443 G444V437-I441 HydrophobicContact CG1-CD1 3.85Å; V437-I441 WeakPolarHBondContact O-CB 3.44Å; V437-I441 VanDerWaalsContact O-CG1 3.31Å; V437-I441 WeakPolarHBondContact O-CG1 3.38Å; V437-I441 PolarHBondContact O-N 2.86Å; V437-I441 VanDerWaalsContact O-N 3.12Å; I441-K443 PolarHBondContact O-N 3.46Å; I441-G444 PolarHBondContact O-N 2.7Å; I441-G444 VanDerWaalsContact O-N 3.07Å
442S55.1Low52.5Low98 Ų98115.6 Ų115.669%0.68564%0.636SS**THydrogen-bonded Turntrans-68.4-12.1175.4-170.40000114.4L438 D440L438-S442 WeakPolarHBondContact O-CB 3.3Å; L438-S442 PolarHBondContact O-N 3.43Å; L438-S442 VanDerWaalsContact O-N 3.12Å; D440-S442 PolarHBondContact O-N 3.11Å
443K57Low51.5Low155 Ų155115.3 Ų115.367%0.67465%0.652SS**THydrogen-bonded Turntrans-94.4-0.2172-66.9163.3-163.5156.40112.8T439 D440 I441T439-K443 WeakPolarHBondContact O-CE 3.03Å; T439-K443 WeakPolarHBondContact O-CG 3.45Å; T439-K443 PolarHBondContact O-N 3.08Å; D440-K443 PolarHBondContact O-N 2.8Å; D440-K443 IonicContact OD1-NZ 2.68Å; D440-K443 PolarHBondContact OD1-NZ 3.34Å; I441-K443 PolarHBondContact O-N 3.46Å
444G45.8Very low51Low62 Ų62114.5 Ų114.564%0.63966%0.657SS**THydrogen-bonded Turntrans89.66.7175.300000115.6I441 M446I441-G444 PolarHBondContact O-N 2.7Å; I441-G444 VanDerWaalsContact O-N 3.07Å; G444-M446 PolarHBondContact O-N 2.72Å
445D50.7Low49.6Very low89 Ų89110.5 Ų110.548%0.47666%0.66SS.*  trans-76.1121.1171.3-166.1-22.6000110.1E447D445-E447 PolarHBondContact OD1-N 2.77Å
446M57.9Low48.9Very low162 Ų162110.4 Ų110.480%0.79867%0.665SS**  trans-106.7-9-180-93-172.257.500113.8G444 A449G444-M446 PolarHBondContact O-N 2.72Å; M446-A449 PolarHBondContact O-N 2.71Å
447E48.8Very low47.8Very low177 Ų177109.7 Ų109.783%0.82767%0.667SS**G310 helixtrans-75.4-31.5-177.1-60.4-160.6150.400111.3D445 A449 G450D445-E447 PolarHBondContact OD1-N 2.77Å; E447-A449 PolarHBondContact O-N 2.87Å; E447-G450 PolarHBondContact O-N 2.87Å; E447-G450 VanDerWaalsContact O-N 3.17Å
448A52.2Low46.8Very low70 Ų70114.1 Ų114.158%0.57969%0.688SS**G310 helixtrans-60.9-10.2174.400000115.1G450A448-G450 VanDerWaalsContact C-N 3.33Å
449A50.7Low45.6Very low76 Ų76115.4 Ų115.463%0.62869%0.694SS**G310 helixtrans-81.1-7176.400000114.2M446 E447M446-A449 PolarHBondContact O-N 2.71Å; E447-A449 PolarHBondContact O-N 2.87Å
450G43.6Very low44.3Very low71 Ų71120.8 Ų120.873%0.73271%0.714SS**SBendtrans-87-23.2-174.700000116.3E447 A448 L452E447-G450 PolarHBondContact O-N 2.87Å; E447-G450 VanDerWaalsContact O-N 3.17Å; A448-G450 VanDerWaalsContact C-N 3.33Å; G450-L452 PolarHBondContact O-N 2.73Å
451D42.7Very low42.9Very low149 Ų149124.9 Ų124.980%0.79774%0.735SS**  trans-105.746.4-160.5-159.336.2000114.2
452L37.3Very low41.6Very low166 Ų166126 Ų12687%0.86975%0.751SS**  trans-124.170.7174.2-69.8177.6000111.1G450G450-L452 PolarHBondContact O-N 2.73Å
453G31.7Very low40.4Very low72 Ų72129.3 Ų129.374%0.74276%0.761SS**  trans-94.7155.8165.600000112.5
454D40.4Very low39.4Very low178 Ų178130.5 Ų130.595%0.95277%0.769SS**  trans9110174.5-70.2-9.5000119.2
455G28.3Very low38.6Very low74 Ų74135.5 Ų135.576%0.76378%0.781SS**  trans-150.5113.8159.400000110.5
456D41.8Very low37.8Very low175 Ų175139.9 Ų139.994%0.93680%0.799SS**  trans-71.7123.5164.2-89.1-40.8000108.6
457D32.5Very low36.9Very low141 Ų141139.6 Ų139.675%0.75480%0.8SS**  trans-147.4104172.9-115.2-32000110.2I459D457-I459 HydrophobicContact CB-CD1 4.38Å; D457-I459 HydrophobicContact CB-CG1 4.3Å; D457-I459 PolarHBondContact O-N 2.85Å; D457-I459 VanDerWaalsContact O-N 3.1Å
458D38Very low36.3Very low161 Ų161137.7 Ų137.786%0.86180%0.801SS**  trans-86.575.6-175.2-162.813.1000111.1H460D458-H460 PolarHBondContact O-N 3.47Å
459I28.4Very low35.5Very low125 Ų125141.6 Ų141.664%0.64181%0.812SS**  trans-86.2107.8-172.8-59.4178.8000111.5D457 L461D457-I459 HydrophobicContact CB-CD1 4.38Å; D457-I459 HydrophobicContact CB-CG1 4.3Å; D457-I459 PolarHBondContact O-N 2.85Å; D457-I459 VanDerWaalsContact O-N 3.1Å; I459-L461 PolarHBondContact O-N 3.48Å
460H33.7Very low34.8Very low181 Ų181146 Ų14684%0.83882%0.819SS**  trans-58.9119.4166.6-91.3-88.7000111.7D458D458-H460 PolarHBondContact O-N 3.47Å
461L26.6Very low34.3Very low154 Ų154151.2 Ų151.281%0.80683%0.829SS**  trans-110.1131.5162.3-82.5166.6000110.1I459I459-L461 PolarHBondContact O-N 3.48Å
462S29.9Very low34.3Very low111 Ų111148.8 Ų148.878%0.77682%0.823SS**  trans-85.311017452.50000110.2Q464S462-Q464 PolarHBondContact O-N 2.81Å
463D30.7Very low34.5Very low166 Ų166147 Ų14789%0.88881%0.813SS**  trans-64.9104.1172.3-71.7-32.2000110.1
464Q34.8Very low35Very low181 Ų181148 Ų14885%0.84682%0.815SS**  trans-105.497.7155.3-87.4-168.6-24.200108.3S462S462-Q464 PolarHBondContact O-N 2.81Å
465D30.1Very low35Very low167 Ų167144.3 Ų144.389%0.89380%0.803SS**  trans-15888.7165.8-97.6-33.5000106.9
466E34Very low35.9Very low181 Ų181148.1 Ų148.185%0.84681%0.806SS**  trans-88.8-170.4173.9-66.1-172.9129.900111
467D37.7Very low36.2Very low155 Ų155143.9 Ų143.983%0.82978%0.783SS**  trans69.739.7165.2-65-16.6000120.4
468V37.2Very low37.3Very low138 Ų138143.4 Ų143.484%0.83678%0.781SS**SBendtrans-162.3100.2139-100.90000113.9
469D35.8Very low37.8Very low152 Ų152143.9 Ų143.981%0.81378%0.778SS**  trans16610.4141.9-99.4-10.4000114.8I471D469-I471 VanDerWaalsContact C-N 3.26Å; D469-I471 PolarHBondContact O-N 2.85Å
470E36.1Very low38.4Very low168 Ų168146.4 Ų146.479%0.78579%0.786SS**G310 helixtrans-64.1-17.6-165.8-152.7177.9-147.200116.5S472E470-S472 PolarHBondContact O-N 3.43Å
471I32.2Very low39.2Very low181 Ų181141.6 Ų141.693%0.92877%0.767SS**G310 helixtrans-76.25.8-171.5-59.5173.4000113D469D469-I471 VanDerWaalsContact C-N 3.26Å; D469-I471 PolarHBondContact O-N 2.85Å
472S43Very low40.6Very low97 Ų97138 Ų13868%0.67875%0.748SS**G310 helixtrans-111.51.1-172.3-170.40000116.8E470E470-S472 PolarHBondContact O-N 3.43Å
473L42.5Very low41.8Very low128 Ų128138.9 Ų138.967%0.6774%0.74SS**SBendtrans-112.6-17.3-170-81.7165.3000116S475L473-S475 PolarHBondContact O-N 3.11Å
474A40.4Very low43Very low93 Ų93136 Ų13677%0.76972%0.721SS**THydrogen-bonded Turntrans-7621.9-174.900000115.7
475S42.5Very low43.7Very low102 Ų102130.9 Ų130.971%0.71370%0.702SS**THydrogen-bonded Turntrans-120.32.8-176.874.60000115.3L473L473-S475 PolarHBondContact O-N 3.11Å
476D46.8Very low44.9Very low153 Ų153127.7 Ų127.782%0.81868%0.682SS**SBendtrans-133.618.7-169.3-102.324.6000111.6
477L46.9Very low45.9Very low87 Ų87124.9 Ų124.946%0.45567%0.669SS.*SBendtrans-120.3146.1175.7-66177.2000110.3D481 L482L477-D481 HydrophobicContact CB-CB 4.38Å; L477-D481 HydrophobicContact CD2-CB 4.48Å; L477-L482 HydrophobicContact CB-CD2 4.21Å; L477-L482 HydrophobicContact CB-CG 4.33Å; L477-L482 HydrophobicContact CD1-CD2 4.08Å
478D56.9Low46.7Very low131 Ų131122.9 Ų122.970%0.70165%0.653SS**  trans-83.8163.5175.6-70.8-48.5000111.4E480 D481 L482D478-E480 VanDerWaalsContact C-N 3.28Å; D478-E480 PolarHBondContact O-N 2.83Å; D478-D481 PolarHBondContact O-N 3.17Å; D478-L482 PolarHBondContact O-N 3.42Å
479E46.8Very low47.1Very low171 Ų171121 Ų12180%0.79964%0.635SS**Hα-helixtrans-62.5-31.6-167.4-158.2159.4-142.900113.4L482E479-L482 PolarHBondContact O-N 2.86Å
480E42.9Very low47.8Very low177 Ų177118.1 Ų118.183%0.82762%0.615SS**Hα-helixtrans-74.1-34.7178.6-160.1167.3-147.300112.7D478 L482D478-E480 VanDerWaalsContact C-N 3.28Å; D478-E480 PolarHBondContact O-N 2.83Å; E480-L482 VanDerWaalsContact C-N 3.3Å; E480-L482 PolarHBondContact O-N 3.41Å
481D49.6Very low48.6Very low81 Ų81115.7 Ų115.743%0.43360%0.604SS.*Hα-helixtrans-67-31.9174.6-80.1-32.2000111.7L477 D478 V485L477-D481 HydrophobicContact CB-CB 4.38Å; L477-D481 HydrophobicContact CD2-CB 4.48Å; D478-D481 PolarHBondContact O-N 3.17Å; D481-V485 WeakPolarHBondContact O-CG2 3.02Å; D481-V485 PolarHBondContact O-N 3.46Å
482L55.1Low49.1Very low79 Ų79113 Ų11341%0.41459%0.59SS.*Hα-helixtrans-70.5-38.9-177.9-70.4170.9000112.1L477 D478 E479 E480 V485 E486L477-L482 HydrophobicContact CB-CD2 4.21Å; L477-L482 HydrophobicContact CB-CG 4.33Å; L477-L482 HydrophobicContact CD1-CD2 4.08Å; D478-L482 PolarHBondContact O-N 3.42Å; E479-L482 PolarHBondContact O-N 2.86Å; E480-L482 VanDerWaalsContact C-N 3.3Å; E480-L482 PolarHBondContact O-N 3.41Å; L482-V485 PolarHBondContact O-N 2.81Å; L482-E486 PolarHBondContact O-N 3.48Å
483E55.1Low49.1Very low128 Ų128115.8 Ų115.860%0.59859%0.593SS**Hα-helixtrans-66.5-37.6177.5-65.7-164.2165.100112.2V485 E486 Q487E483-V485 PolarHBondContact O-N 2.57Å; E483-E486 PolarHBondContact O-N 3.35Å; E483-Q487 WeakPolarHBondContact O-CB 3.28Å; E483-Q487 VanDerWaalsContact O-CG 3.24Å; E483-Q487 WeakPolarHBondContact O-CG 3.44Å; E483-Q487 PolarHBondContact O-N 2.87Å; E483-Q487 VanDerWaalsContact O-N 3.07Å; E483-Q487 PolarHBondContact O-NE2 3.06Å
484E57.2Low49.2Very low105 Ų105118 Ų11849%0.49160%0.597SS.*Hα-helixtrans-66.1-37.7177.4-156.8-161.5126.500111.9K488E484-K488 WeakPolarHBondContact O-CG 3.44Å; E484-K488 PolarHBondContact O-N 2.98Å; E484-K488 WeakPolarHBondContact OE1-CE 3.42Å; E484-K488 IonicContact OE1-NZ 2.68Å; E484-K488 PolarHBondContact OE1-NZ 2.9Å
485V49.1Very low49.2Very low75 Ų75120.9 Ų120.946%0.45559%0.592SS.*Hα-helixtrans-68.8-45.1176.7171.90000111.5D481 L482 E483 Q487 K488 Q489D481-V485 WeakPolarHBondContact O-CG2 3.02Å; D481-V485 PolarHBondContact O-N 3.46Å; L482-V485 PolarHBondContact O-N 2.81Å; E483-V485 PolarHBondContact O-N 2.57Å; V485-Q487 VanDerWaalsContact C-N 3.31Å; V485-Q487 PolarHBondContact O-N 2.94Å; V485-K488 PolarHBondContact O-N 2.81Å; V485-Q489 PolarHBondContact O-N 3.09Å
486E55.9Low48.9Very low99 Ų99119.8 Ų119.846%0.46359%0.589SS.*Hα-helixtrans-65.5-36-179.4-152.6-152178.900111.7L482 E483 K490L482-E486 PolarHBondContact O-N 3.48Å; E483-E486 PolarHBondContact O-N 3.35Å; E486-K490 VanDerWaalsContact CD-CE 3.47Å; E486-K490 WeakPolarHBondContact O-CD 3.42Å; E486-K490 VanDerWaalsContact O-CG 3.29Å; E486-K490 WeakPolarHBondContact O-CG 3.13Å; E486-K490 PolarHBondContact O-N 2.83Å; E486-K490 VanDerWaalsContact O-N 3.14Å; E486-K490 WeakPolarHBondContact OE1-CE 3.32Å; E486-K490 IonicContact OE1-NZ 3.42Å; E486-K490 PolarHBondContact OE1-NZ 2.95Å; E486-K490 IonicContact OE2-NZ 2.69Å; E486-K490 PolarHBondContact OE2-NZ 2.81Å
487Q54.6Low48.3Very low122 Ų122118.6 Ų118.657%0.5759%0.59SS**Hα-helixtrans-62.4-45.8172.4-73.1174.84900111.6E483 V485 K490 E491E483-Q487 WeakPolarHBondContact O-CB 3.28Å; E483-Q487 VanDerWaalsContact O-CG 3.24Å; E483-Q487 WeakPolarHBondContact O-CG 3.44Å; E483-Q487 PolarHBondContact O-N 2.87Å; E483-Q487 VanDerWaalsContact O-N 3.07Å; E483-Q487 PolarHBondContact O-NE2 3.06Å; V485-Q487 VanDerWaalsContact C-N 3.31Å; V485-Q487 PolarHBondContact O-N 2.94Å; Q487-K490 PolarHBondContact O-N 2.94Å; Q487-E491 PolarHBondContact O-N 3.01Å; Q487-E491 VanDerWaalsContact O-N 3.16Å
488K54.1Low47.6Very low113 Ų113124.4 Ų124.449%0.49161%0.611SS.*Hα-helixtrans-65.4-38.2178.6-78.6171.5172.9172.70113.3E484 V485 E491 L492E484-K488 WeakPolarHBondContact O-CG 3.44Å; E484-K488 PolarHBondContact O-N 2.98Å; E484-K488 WeakPolarHBondContact OE1-CE 3.42Å; E484-K488 IonicContact OE1-NZ 2.68Å; E484-K488 PolarHBondContact OE1-NZ 2.9Å; V485-K488 PolarHBondContact O-N 2.81Å; K488-E491 PolarHBondContact O-N 2.88Å; K488-L492 WeakPolarHBondContact O-CG 3.16Å; K488-L492 PolarHBondContact O-N 2.84Å
489Q45.5Very low46.3Very low98 Ų98128 Ų12846%0.45862%0.621SS.*Hα-helixtrans-61.9-44.4172.5-75.4-179.1-50.100111.4V485 E491 L492 E493V485-Q489 PolarHBondContact O-N 3.09Å; Q489-E491 PolarHBondContact O-N 2.86Å; Q489-L492 PolarHBondContact O-N 2.96Å; Q489-E493 PolarHBondContact O-N 3.06Å
490K51Low45.3Very low93 Ų93126.9 Ų126.940%0.40463%0.625SS.*Hα-helixtrans-65.5-14.3176.3-70.7166.8-176169.60114.5E486 Q487 K494E486-K490 VanDerWaalsContact CD-CE 3.47Å; E486-K490 WeakPolarHBondContact O-CD 3.42Å; E486-K490 VanDerWaalsContact O-CG 3.29Å; E486-K490 WeakPolarHBondContact O-CG 3.13Å; E486-K490 PolarHBondContact O-N 2.83Å; E486-K490 VanDerWaalsContact O-N 3.14Å; E486-K490 WeakPolarHBondContact OE1-CE 3.32Å; E486-K490 IonicContact OE1-NZ 3.42Å; E486-K490 PolarHBondContact OE1-NZ 2.95Å; E486-K490 IonicContact OE2-NZ 2.69Å; E486-K490 PolarHBondContact OE2-NZ 2.81Å; Q487-K490 PolarHBondContact O-N 2.94Å; K490-K494 WeakPolarHBondContact O-CD 3.4Å; K490-K494 WeakPolarHBondContact O-CE 3.47Å; K490-K494 WeakPolarHBondContact O-CG 3.22Å; K490-K494 PolarHBondContact O-NZ 2.83Å
491E51.7Low44.6Very low116 Ų116126.6 Ų126.654%0.54262%0.621SS.*Hα-helixtrans-88.7-30.5169-68.6-153.4141.900113.7Q487 K488 Q489Q487-E491 PolarHBondContact O-N 3.01Å; Q487-E491 VanDerWaalsContact O-N 3.16Å; K488-E491 PolarHBondContact O-N 2.88Å; Q489-E491 PolarHBondContact O-N 2.86Å
492L43.8Very low43.2Very low124 Ų124131.1 Ų131.165%0.64964%0.637SS**Hα-helixtrans-75-45178.6-72165.6000111.4K488 Q489 K494 K495K488-L492 WeakPolarHBondContact O-CG 3.16Å; K488-L492 PolarHBondContact O-N 2.84Å; Q489-L492 PolarHBondContact O-N 2.96Å; L492-K494 PolarHBondContact O-N 2.92Å; L492-K494 VanDerWaalsContact O-N 3.16Å; L492-K495 PolarHBondContact O-N 2.83Å
493E42.3Very low41.8Very low156 Ų156134.1 Ų134.173%0.72965%0.651SS**G310 helixtrans-56.8-32.8177.3-70.5-171.413900112.9Q489 K495Q489-E493 PolarHBondContact O-N 3.06Å; E493-K495 PolarHBondContact O-N 2.87Å
494K44.9Very low40.6Very low174 Ų174136.7 Ų136.776%0.75766%0.663SS**G310 helixtrans-70.6-9.3179-70.6173-172159.20114.3K490 L492K490-K494 WeakPolarHBondContact O-CD 3.4Å; K490-K494 WeakPolarHBondContact O-CE 3.47Å; K490-K494 WeakPolarHBondContact O-CG 3.22Å; K490-K494 PolarHBondContact O-NZ 2.83Å; L492-K494 PolarHBondContact O-N 2.92Å; L492-K494 VanDerWaalsContact O-N 3.16Å
495K41.4Very low38.9Very low155 Ų155140.1 Ų140.167%0.67468%0.679SS**G310 helixtrans-110.2-0.9-171.8-68.3173.5-178166.80114.4L492 E493L492-K495 PolarHBondContact O-N 2.83Å; E493-K495 PolarHBondContact O-N 2.87Å
496A34.9Very low37.8Very low78 Ų78141.1 Ų141.165%0.64570%0.695SS**PPolyproline II helixtrans-88.5127.7-177.800000113.6
497P34.1Very low36.3Very low129 Ų129145.8 Ų145.884%0.83872%0.717SS**PPolyproline II helixtrans-79.1168175.332.5-34.8000113.4
498K32.8Very low34.9Very low208 Ų208149.3 Ų149.390%0.90473%0.734SS**PPolyproline II helixtrans-87.6152.5-170.9-69.9-179.4179.3175.40114.4
499K29.8Very low33.7Very low208 Ų208153.2 Ų153.290%0.90475%0.754SS**PPolyproline II helixtrans-64.4153.1-177.4-60.8-178.9176.4-175.60114.6
500V25.1Very low32.8Very low146 Ų146157.5 Ų157.589%0.88577%0.774SS**  trans-113.8170.9159.1-1700000108.6
501K28.6Very low31.7Very low172 Ų172162.2 Ų162.275%0.74880%0.797SS**  trans-148.6174.1-164.6-148.3-172.4-178-166.30111.7
502F21.3Very low30.5Very low175 Ų175165.6 Ų165.677%0.76881%0.813SS**  trans80.7148.6176.4-57.6-80.2000115.1
503M24.7Very low29.7Very low143 Ų143167.6 Ų167.670%0.70482%0.824SS**  cis-149.3175.7-8.8-142.4157.276.800111.7
504E29.7Very low29.1Very low181 Ų181163.6 Ų163.685%0.84683%0.825SS**  trans-103.5138.3168.3-68.3171.6112.400110.8
505E22.4Very low28.5Very low178 Ų178158.8 Ų158.883%0.83283%0.825SS**  trans178.7151.1165.8-102.4160.1-152.600106.1
506A24.5Very low27.9Very low95 Ų95159.3 Ų159.379%0.78583%0.834SS**  cis-156.2171.4-26.900000107.6
507E26.1Very low27.9Very low197 Ų197163.7 Ų163.792%0.92185%0.846SS**  trans-89.1133176.1-65.2174.9140.900111.4
508E25.3Very low27.9Very low197 Ų197163.4 Ų163.492%0.92184%0.841SS**  trans-135139.3159.7-71.5-168.414500109.4
509E27.4Very low28.1Very low195 Ų195162 Ų16291%0.91184%0.838SS**  trans-103.3139.6177.2-62-180128.400109.9
510E26.3Very low28.8Very low188 Ų188160.4 Ų160.488%0.87984%0.838SS**  trans-128.4129.3155.5-78.1-158.6145.500110
511E27.9Very low29.8Very low191 Ų191158.6 Ų158.689%0.89382%0.82SS**  trans-80.4141.5170.4-63.1-176.4120.800110.5
512Q28.1Very low31Very low188 Ų188151.8 Ų151.888%0.87980%0.799SS**  trans-146.5124.8156-131161.988.300111.2
513D26.8Very low32.3Very low165 Ų165152.4 Ų152.488%0.88280%0.801SS**  trans-75.8150.2-179.3-175.421.8000111.4
514G29.6Very low33.4Very low72 Ų72151.3 Ų151.374%0.74280%0.798SS**  trans16954.2-168.500000112.4L516G514-L516 PolarHBondContact O-N 2.85Å
515G31.3Very low34.9Very low74 Ų74147.9 Ų147.976%0.76378%0.782SS**  trans-61.5130.7-168.900000116
516L29.8Very low36.5Very low165 Ų165145.4 Ų145.486%0.86477%0.769SS**  trans-128.1130.3153.5-151.981.9000109.4G514 V518G514-L516 PolarHBondContact O-N 2.85Å; L516-V518 PolarHBondContact O-N 2.86Å
517L34.4Very low37.9Very low171 Ų171145.5 Ų145.590%0.89576%0.755SS**  trans-76.7105-168.3-168.178.2000112
518V35.2Very low39.4Very low122 Ų122141.9 Ų141.974%0.73974%0.739SS**  trans-99.8123.1169.4-179.40000109.6L516 L520L516-V518 PolarHBondContact O-N 2.86Å; V518-L520 PolarHBondContact O-N 2.84Å
519E36.6Very low41.5Very low180 Ų180139.2 Ų139.284%0.84172%0.72SS**  trans-64.9120.7175.1-68.3-171.4122.200111E521E519-E521 PolarHBondContact O-N 2.89Å; E519-E521 VanDerWaalsContact O-N 3.1Å
520L43Very low42.8Very low174 Ų174135.3 Ų135.391%0.91170%0.702SS**  trans-70.9100.8176.2-81.2159.5000110.6V518 G522V518-L520 PolarHBondContact O-N 2.84Å; L520-G522 PolarHBondContact O-N 2.85Å
521E46.7Very low44.4Very low108 Ų108129.2 Ų129.251%0.50568%0.677SS.*  trans-46.6132.1174.4-73-160.8143.700111.9E519 K523 R529E519-E521 PolarHBondContact O-N 2.89Å; E519-E521 VanDerWaalsContact O-N 3.1Å; E521-K523 PolarHBondContact O-N 2.74Å; E521-R529 IonicContact OE1-CZ 3.63Å; E521-R529 IonicContact OE1-NH1 2.89Å; E521-R529 PolarHBondContact OE1-NH1 2.74Å; E521-R529 IonicContact OE1-NH2 3.01Å; E521-R529 PolarHBondContact OE1-NH2 2.73Å; E521-R529 IonicContact OE2-CZ 3.63Å; E521-R529 IonicContact OE2-NH1 2.69Å; E521-R529 PolarHBondContact OE2-NH1 2.71Å
522G54.5Low46.2Very low29 Ų29125.1 Ų125.130%0.29966%0.662SS.*  trans-63.1136.7-173.800000111.7L520 N524 E525 K526L520-G522 PolarHBondContact O-N 2.85Å; G522-N524 PolarHBondContact O-N 2.99Å; G522-E525 PolarHBondContact N-OE2 3.47Å; G522-E525 PolarHBondContact O-N 3.47Å; G522-K526 PolarHBondContact O-N 2.77Å; G522-K526 VanDerWaalsContact O-N 3.16Å
523K49.1Very low48.1Very low187 Ų187122.5 Ų122.581%0.81365%0.651SS**Hα-helixtrans-52.9-26.3175.1-69.7179.2179.7173.50112.9E521 L527E521-K523 PolarHBondContact O-N 2.74Å; K523-L527 WeakPolarHBondContact O-CB 3.31Å; K523-L527 PolarHBondContact O-N 3.09Å
524N47.2Very low49.5Very low120 Ų120119.4 Ų119.464%0.64263%0.627SS**Hα-helixtrans-69.6-44.9171.3-77.35.1000113.3G522 K526 L527 E528G522-N524 PolarHBondContact O-N 2.99Å; N524-K526 VanDerWaalsContact C-N 3.32Å; N524-K526 PolarHBondContact O-N 3.26Å; N524-L527 CarbonylContact O-C 3.54Å; N524-L527 WeakPolarHBondContact O-CA 3.34Å; N524-L527 WeakPolarHBondContact O-CB 3.14Å; N524-L527 PolarHBondContact O-N 2.68Å; N524-L527 VanDerWaalsContact O-N 3.13Å; N524-E528 PolarHBondContact O-N 3.33Å
525E60.2Low50.4Low109 Ų109121.1 Ų121.151%0.50962%0.615SS.*Hα-helixtrans-67.6-36.9-177.2-61.3173.2123.900110.9G522 E528 R529G522-E525 PolarHBondContact N-OE2 3.47Å; G522-E525 PolarHBondContact O-N 3.47Å; E525-E528 PolarHBondContact O-N 2.67Å; E525-R529 WeakPolarHBondContact O-CG 3.44Å; E525-R529 PolarHBondContact O-N 2.84Å
526K55.7Low51.6Low126 Ų126121.7 Ų121.755%0.54861%0.607SS.*Hα-helixtrans-61.1-45.1169.6-169166.7-175.6169.40111.7G522 N524 E528 R529 E530G522-K526 PolarHBondContact O-N 2.77Å; G522-K526 VanDerWaalsContact O-N 3.16Å; N524-K526 VanDerWaalsContact C-N 3.32Å; N524-K526 PolarHBondContact O-N 3.26Å; K526-E528 VanDerWaalsContact C-N 3.34Å; K526-E528 PolarHBondContact O-N 3.24Å; K526-R529 PolarHBondContact O-N 2.97Å; K526-E530 WeakPolarHBondContact O-CB 3.17Å; K526-E530 WeakPolarHBondContact O-CG 3.44Å; K526-E530 PolarHBondContact O-N 3.24Å
527L55.3Low52.9Low97 Ų97119.2 Ų119.251%0.50859%0.589SS.*Hα-helixtrans-62.8-35.9173.1-94.9162.9000113K523 N524 T531K523-L527 WeakPolarHBondContact O-CB 3.31Å; K523-L527 PolarHBondContact O-N 3.09Å; N524-L527 CarbonylContact O-C 3.54Å; N524-L527 WeakPolarHBondContact O-CA 3.34Å; N524-L527 WeakPolarHBondContact O-CB 3.14Å; N524-L527 PolarHBondContact O-N 2.68Å; N524-L527 VanDerWaalsContact O-N 3.13Å; L527-T531 WeakPolarHBondContact O-CB 3.39Å; L527-T531 WeakPolarHBondContact O-CG2 3.28Å; L527-T531 PolarHBondContact O-N 2.91Å; L527-T531 PolarHBondContact O-OG1 3.09Å
528E57.9Low53.5Low122 Ų122113.4 Ų113.457%0.5757%0.57SS**Hα-helixtrans-72.6-38.5175.9-75.1-171.7-167.100111.9N524 E525 K526 T531 N532N524-E528 PolarHBondContact O-N 3.33Å; E525-E528 PolarHBondContact O-N 2.67Å; K526-E528 VanDerWaalsContact C-N 3.34Å; K526-E528 PolarHBondContact O-N 3.24Å; E528-T531 WeakPolarHBondContact CA-OG1 3.26Å; E528-T531 PolarHBondContact O-OG1 3.28Å; E528-N532 WeakPolarHBondContact O-CB 3.26Å; E528-N532 VanDerWaalsContact O-CG 3.28Å; E528-N532 PolarHBondContact O-N 3.47Å; E528-N532 PolarHBondContact O-ND2 3.39Å
529R68.9Low54.4Low140 Ų140114.2 Ų114.253%0.52857%0.569SS.*Hα-helixtrans-65.1-45.2170-69.7-160-163.7120.41.1111.5E521 E525 K526 T531 N532 M533E521-R529 IonicContact OE1-CZ 3.63Å; E521-R529 IonicContact OE1-NH1 2.89Å; E521-R529 PolarHBondContact OE1-NH1 2.74Å; E521-R529 IonicContact OE1-NH2 3.01Å; E521-R529 PolarHBondContact OE1-NH2 2.73Å; E521-R529 IonicContact OE2-CZ 3.63Å; E521-R529 IonicContact OE2-NH1 2.69Å; E521-R529 PolarHBondContact OE2-NH1 2.71Å; E525-R529 WeakPolarHBondContact O-CG 3.44Å; E525-R529 PolarHBondContact O-N 2.84Å; K526-R529 PolarHBondContact O-N 2.97Å; R529-T531 PolarHBondContact O-N 3.37Å; R529-N532 PolarHBondContact O-N 3.35Å; R529-M533 WeakPolarHBondContact O-CB 3.39Å; R529-M533 WeakPolarHBondContact O-CG 3.41Å; R529-M533 PolarHBondContact O-N 2.95Å
530E55.3Low54.5Low113 Ų113107.9 Ų107.953%0.52854%0.539SS..Hα-helixtrans-63-40.1178.3-77.6179.1-157.900112.3K526 W534K526-E530 WeakPolarHBondContact O-CB 3.17Å; K526-E530 WeakPolarHBondContact O-CG 3.44Å; K526-E530 PolarHBondContact O-N 3.24Å; E530-W534 VanDerWaalsContact O-CB 3.31Å; E530-W534 WeakPolarHBondContact O-CB 3.37Å; E530-W534 PolarHBondContact O-N 3.04Å
531T60Low55.1Low60 Ų60104.4 Ų104.437%0.36853%0.529SS..Hα-helixtrans-73.8-39.1176.550.50000112.3L527 E528 R529 W534 F535L527-T531 WeakPolarHBondContact O-CB 3.39Å; L527-T531 WeakPolarHBondContact O-CG2 3.28Å; L527-T531 PolarHBondContact O-N 2.91Å; L527-T531 PolarHBondContact O-OG1 3.09Å; E528-T531 WeakPolarHBondContact CA-OG1 3.26Å; E528-T531 PolarHBondContact O-OG1 3.28Å; R529-T531 PolarHBondContact O-N 3.37Å; T531-W534 WeakPolarHBondContact O-CA 3.33Å; T531-W534 WeakPolarHBondContact O-CB 3.26Å; T531-W534 PolarHBondContact O-N 2.6Å; T531-W534 VanDerWaalsContact O-N 3.07Å; T531-F535 WeakPolarHBondContact O-CD2 3.32Å; T531-F535 PolarHBondContact O-N 2.86Å
532N64.7Low55Low105 Ų105105.7 Ų105.756%0.56154%0.535SS*.Hα-helixtrans-63.7-41.3172.3-77.6-50.2000111.8E528 R529 W534 F535 S536E528-N532 WeakPolarHBondContact O-CB 3.26Å; E528-N532 VanDerWaalsContact O-CG 3.28Å; E528-N532 PolarHBondContact O-N 3.47Å; E528-N532 PolarHBondContact O-ND2 3.39Å; R529-N532 PolarHBondContact O-N 3.35Å; N532-W534 PolarHBondContact O-N 2.63Å; N532-F535 PolarHBondContact O-N 3.28Å; N532-S536 VanDerWaalsContact O-CB 3.26Å; N532-S536 WeakPolarHBondContact O-CB 3.44Å; N532-S536 PolarHBondContact O-N 3.01Å; N532-S536 PolarHBondContact O-OG 2.97Å; N532-S536 VanDerWaalsContact O-OG 3.12Å
533M68.3Low54.5Low134 Ų134107.6 Ų107.666%0.6654%0.538SS*.Hα-helixtrans-68.1-18.1171.8-71.3-72.2-84.700113.3R529 K537R529-M533 WeakPolarHBondContact O-CB 3.39Å; R529-M533 WeakPolarHBondContact O-CG 3.41Å; R529-M533 PolarHBondContact O-N 2.95Å; M533-K537 VanDerWaalsContact O-CE 3.22Å; M533-K537 WeakPolarHBondContact O-CE 3.27Å; M533-K537 WeakPolarHBondContact O-CG 3.14Å
534W55.9Low54.2Low99 Ų99103.9 Ų103.938%0.37553%0.527SS..Hα-helixtrans-83.3-43.4171.2-178.2-82.5000112.1E530 T531 N532 F540 K732E530-W534 VanDerWaalsContact O-CB 3.31Å; E530-W534 WeakPolarHBondContact O-CB 3.37Å; E530-W534 PolarHBondContact O-N 3.04Å; T531-W534 WeakPolarHBondContact O-CA 3.33Å; T531-W534 WeakPolarHBondContact O-CB 3.26Å; T531-W534 PolarHBondContact O-N 2.6Å; T531-W534 VanDerWaalsContact O-N 3.07Å; N532-W534 PolarHBondContact O-N 2.63Å; W534-F540 AromaticContact NE1-CE2 3.72Å; W534-F540 AromaticContact NE1-CZ 3.77Å; W534-K732 HydrophobicContact CZ2-CD 4Å
535F47.8Very low54.3Low109 Ų109104.3 Ų104.348%0.47853%0.528SS..Hα-helixtrans-77.6-26.1-179.3-76.2-65.8000113.7T531 N532 K537T531-F535 WeakPolarHBondContact O-CD2 3.32Å; T531-F535 PolarHBondContact O-N 2.86Å; N532-F535 PolarHBondContact O-N 3.28Å; F535-K537 PolarHBondContact O-N 2.82Å
536S57Low53.3Low86 Ų86107.5 Ų107.560%0.60154%0.544SS*.THydrogen-bonded Turntrans-70.2-11.3174.466.90000114.1N532 G538N532-S536 VanDerWaalsContact O-CB 3.26Å; N532-S536 WeakPolarHBondContact O-CB 3.44Å; N532-S536 PolarHBondContact O-N 3.01Å; N532-S536 PolarHBondContact O-OG 2.97Å; N532-S536 VanDerWaalsContact O-OG 3.12Å; S536-G538 PolarHBondContact O-N 2.9Å
537K56.8Low52.9Low112 Ų112103.3 Ų103.349%0.48754%0.536SS..SBendtrans-65.1120.3177.5-67.1177.4179.8176.60110.2M533 F535 I539 F540M533-K537 VanDerWaalsContact O-CE 3.22Å; M533-K537 WeakPolarHBondContact O-CE 3.27Å; M533-K537 WeakPolarHBondContact O-CG 3.14Å; F535-K537 PolarHBondContact O-N 2.82Å; K537-I539 PolarHBondContact O-N 3.3Å; K537-F540 PolarHBondContact O-N 3.39Å
538G48.3Very low52.3Low49 Ų49102 Ų10251%0.50553%0.529SS..THydrogen-bonded Turntrans-57.4-6-169.800000117.8S536 F540 S541S536-G538 PolarHBondContact O-N 2.9Å; G538-F540 PolarHBondContact O-N 3.45Å; G538-S541 WeakPolarHBondContact CA-OG 3.46Å; G538-S541 PolarHBondContact O-OG 3.02Å
539I52.5Low51.9Low140 Ų14098.7 Ų98.772%0.71852%0.523SS*.THydrogen-bonded Turntrans-62.9-29.8168.1-63.9174.4000111.4K537K537-I539 PolarHBondContact O-N 3.3Å
540F40.2Very low50.9Low46 Ų4693.7 Ų93.720%0.20252%0.515CS..THydrogen-bonded Turntrans-86.1-25.5180-65-68.5000113.5W534 K537 G538 E542 I543 A735W534-F540 AromaticContact NE1-CE2 3.72Å; W534-F540 AromaticContact NE1-CZ 3.77Å; K537-F540 PolarHBondContact O-N 3.39Å; G538-F540 PolarHBondContact O-N 3.45Å; F540-E542 PolarHBondContact O-N 2.94Å; F540-I543 HydrophobicContact CD1-CD1 4.49Å; F540-I543 PolarHBondContact O-N 3.46Å; F540-A735 HydrophobicContact CE1-CB 4.37Å
541S54.4Low50.6Low101 Ų10194.5 Ų94.571%0.70652%0.519SS*.THydrogen-bonded Turntrans-78.2-13.2-178.451.80000115.3G538 I543G538-S541 WeakPolarHBondContact CA-OG 3.46Å; G538-S541 PolarHBondContact O-OG 3.02Å; S541-I543 VanDerWaalsContact C-N 3.33Å
542E45.7Very low50.4Low135 Ų13597.6 Ų97.663%0.63153%0.529SS*.THydrogen-bonded Turntrans-87.85.8170.2-77-141.2131.600113.7K410 F540K410-E542 WeakPolarHBondContact CD-OE1 3.36Å; K410-E542 IonicContact NZ-OE1 3.36Å; K410-E542 PolarHBondContact NZ-OE1 3.13Å; K410-E542 IonicContact NZ-OE2 2.86Å; K410-E542 PolarHBondContact NZ-OE2 2.86Å; F540-E542 PolarHBondContact O-N 2.94Å
543I43.4Very low49.7Very low69 Ų6997.4 Ų97.435%0.35453%0.527SS..SBendtrans-88.5110.2173.2-58.1-179.9000108.7F540 S541 L545F540-I543 HydrophobicContact CD1-CD1 4.49Å; F540-I543 PolarHBondContact O-N 3.46Å; S541-I543 VanDerWaalsContact C-N 3.33Å; I543-L545 VanDerWaalsContact C-N 3.34Å; I543-L545 HydrophobicContact CG2-CD2 3.99Å; I543-L545 HydrophobicContact CG2-CG 4.37Å; I543-L545 PolarHBondContact O-N 2.79Å
544D43.3Very low49.1Very low109 Ų10997.8 Ų97.858%0.58353%0.525SS*.  trans-69.287.6174.2-177.52000110.8E546 G547 D548D544-E546 PolarHBondContact OD1-N 3.06Å; D544-G547 PolarHBondContact OD1-N 3.06Å; D544-D548 PolarHBondContact O-N 3.29Å; D544-D548 VanDerWaalsContact O-N 3.12Å
545L48Very low49Very low129 Ų12998.4 Ų98.468%0.67553%0.533SS*.Hα-helixtrans-70.3-30.5-179.5-69.1173.9000112.6I543 A549I543-L545 VanDerWaalsContact C-N 3.34Å; I543-L545 HydrophobicContact CG2-CD2 3.99Å; I543-L545 HydrophobicContact CG2-CG 4.37Å; I543-L545 PolarHBondContact O-N 2.79Å; L545-A549 WeakPolarHBondContact O-CB 3.47Å; L545-A549 PolarHBondContact O-N 2.78Å
546E40.7Very low49.4Very low177 Ų17795.8 Ų95.883%0.82753%0.528SS*.Hα-helixtrans-69.3-41.2175.1-68.6-169.3137.400110.9D544 G550D544-E546 PolarHBondContact OD1-N 3.06Å; E546-G550 PolarHBondContact O-N 3.36Å
547G45.5Very low49.4Very low38 Ų3896.6 Ų96.639%0.39252%0.522SS..Hα-helixtrans-63.2-50.2176.500000113.5D544 H551D544-G547 PolarHBondContact OD1-N 3.06Å; G547-H551 PolarHBondContact O-N 3.11Å
548D44.6Very low49.2Very low68 Ų6898.4 Ų98.436%0.36453%0.526SS..Hα-helixtrans-68.1-41.6176.8-111.9-4.2000110.9D544 G550 H551 E552 K738D544-D548 PolarHBondContact O-N 3.29Å; D544-D548 VanDerWaalsContact O-N 3.12Å; D548-G550 PolarHBondContact O-N 3.27Å; D548-H551 CarbonylContact O-C 3.56Å; D548-H551 WeakPolarHBondContact O-CA 3.45Å; D548-H551 WeakPolarHBondContact O-CB 3.32Å; D548-H551 PolarHBondContact O-N 3Å; D548-E552 PolarHBondContact O-N 3.19Å; D548-K738 IonicContact OD2-NZ 3.31Å; D548-K738 PolarHBondContact OD2-NZ 3.01Å
549A47.7Very low49.2Very low53 Ų53100 Ų10044%0.43852%0.523SS..Hα-helixtrans-63-43.9178.500000112.6L545 H551 E552 L553L545-A549 WeakPolarHBondContact O-CB 3.47Å; L545-A549 PolarHBondContact O-N 2.78Å; A549-H551 PolarHBondContact O-N 3.36Å; A549-E552 PolarHBondContact O-N 2.88Å; A549-L553 VanDerWaalsContact O-CB 3.28Å; A549-L553 WeakPolarHBondContact O-CB 3.45Å; A549-L553 PolarHBondContact O-N 2.74Å
550G48.4Very low49.1Very low36 Ų3699.5 Ų99.537%0.37152%0.517SS..Hα-helixtrans-63.7-19.4174.400000113.7E546 D548 K554E546-G550 PolarHBondContact O-N 3.36Å; D548-G550 PolarHBondContact O-N 3.27Å; G550-K554 WeakPolarHBondContact O-CD 3.22Å; G550-K554 WeakPolarHBondContact O-CG 3.18Å
551H49.1Very low49.5Very low129 Ų129100.8 Ų100.860%0.59753%0.532SS*.Hα-helixtrans-91.8-35175.8-143-56.9000112.7G547 D548 A549 Q555G547-H551 PolarHBondContact O-N 3.11Å; D548-H551 CarbonylContact O-C 3.56Å; D548-H551 WeakPolarHBondContact O-CA 3.45Å; D548-H551 WeakPolarHBondContact O-CB 3.32Å; D548-H551 PolarHBondContact O-N 3Å; A549-H551 PolarHBondContact O-N 3.36Å; H551-Q555 WeakPolarHBondContact O-CB 3.11Å; H551-Q555 PolarHBondContact O-N 3.07Å; H551-Q555 VanDerWaalsContact O-N 3.08Å
552E55.3Low49.1Very low125 Ų125102 Ų10258%0.58452%0.524SS*.Hα-helixtrans-72.7-36.1173.3-71.8-168.216900112D548 A549 Q555 S556D548-E552 PolarHBondContact O-N 3.19Å; A549-E552 PolarHBondContact O-N 2.88Å; E552-Q555 CarbonylContact O-C 3.55Å; E552-Q555 WeakPolarHBondContact O-CA 3.46Å; E552-Q555 WeakPolarHBondContact O-CB 3.45Å; E552-Q555 PolarHBondContact O-N 3.21Å; E552-Q555 VanDerWaalsContact O-N 3.12Å; E552-S556 PolarHBondContact O-N 3.18Å
553L51.1Low49.1Very low101 Ų101103.1 Ų103.153%0.52953%0.53SS..Hα-helixtrans-63.7-47.8175.7-155.6162000110.5A549 Q555 S556 E557A549-L553 VanDerWaalsContact O-CB 3.28Å; A549-L553 WeakPolarHBondContact O-CB 3.45Å; A549-L553 PolarHBondContact O-N 2.74Å; L553-Q555 VanDerWaalsContact C-N 3.26Å; L553-Q555 PolarHBondContact O-N 3.43Å; L553-S556 PolarHBondContact O-N 3.12Å; L553-S556 PolarHBondContact O-OG 2.84Å; L553-E557 HydrophobicContact CD2-CG 4.08Å; L553-E557 WeakPolarHBondContact O-CG 3.47Å; L553-E557 PolarHBondContact O-N 3.4Å
554K54.5Low48.8Very low142 Ų142104.5 Ų104.562%0.61755%0.545SS*.Hα-helixtrans-60.2-32.9170.6-74.2173.4-177.4164.30113.3G550 W558G550-K554 WeakPolarHBondContact O-CD 3.22Å; G550-K554 WeakPolarHBondContact O-CG 3.18Å; K554-W558 VanDerWaalsContact O-CB 3.26Å; K554-W558 WeakPolarHBondContact O-CB 3.24Å; K554-W558 PolarHBondContact O-N 3.28Å
555Q54.2Low48.5Very low113 Ų113102.3 Ų102.353%0.52855%0.549SS..Hα-helixtrans-71.7-33.8174.5-172.9171.5-41.900111.9H551 E552 L553 L559H551-Q555 WeakPolarHBondContact O-CB 3.11Å; H551-Q555 PolarHBondContact O-N 3.07Å; H551-Q555 VanDerWaalsContact O-N 3.08Å; E552-Q555 CarbonylContact O-C 3.55Å; E552-Q555 WeakPolarHBondContact O-CA 3.46Å; E552-Q555 WeakPolarHBondContact O-CB 3.45Å; E552-Q555 PolarHBondContact O-N 3.21Å; E552-Q555 VanDerWaalsContact O-N 3.12Å; L553-Q555 VanDerWaalsContact C-N 3.26Å; L553-Q555 PolarHBondContact O-N 3.43Å; Q555-L559 HydrophobicContact CG-CD1 4.39Å; Q555-L559 WeakPolarHBondContact O-CD1 3.32Å; Q555-L559 VanDerWaalsContact O-CG 3.24Å; Q555-L559 WeakPolarHBondContact O-CG 3.42Å; Q555-L559 PolarHBondContact O-N 3.3Å; Q555-L559 VanDerWaalsContact O-N 3.1Å
556S56.5Low47.9Very low53 Ų53106 Ų10637%0.37156%0.559SS.*Hα-helixtrans-71.6-42.417577.40000112.2E552 L553 W558 L559 Q560E552-S556 PolarHBondContact O-N 3.18Å; L553-S556 PolarHBondContact O-N 3.12Å; L553-S556 PolarHBondContact O-OG 2.84Å; S556-W558 VanDerWaalsContact C-N 3.3Å; S556-W558 PolarHBondContact O-N 3.47Å; S556-L559 PolarHBondContact O-N 2.95Å; S556-Q560 PolarHBondContact O-N 3.38Å
557E56.3Low47.6Very low104 Ų104100.7 Ų100.749%0.48655%0.552SS.*Hα-helixtrans-58.1-42.1170.2-69.4174.3147.300111.3L553 L559 Q560 S561L553-E557 HydrophobicContact CD2-CG 4.08Å; L553-E557 WeakPolarHBondContact O-CG 3.47Å; L553-E557 PolarHBondContact O-N 3.4Å; E557-L559 VanDerWaalsContact C-N 3.27Å; E557-L559 PolarHBondContact O-N 3.22Å; E557-Q560 PolarHBondContact O-N 3.09Å; E557-S561 VanDerWaalsContact O-CB 3.3Å; E557-S561 WeakPolarHBondContact O-CB 3.33Å; E557-S561 PolarHBondContact O-N 3.42Å; E557-S561 PolarHBondContact O-OG 2.85Å
558W52.9Low46.8Very low149 Ų149110.9 Ų110.956%0.56458%0.579SS**Hα-helixtrans-68.5-21.2176.2-17482.6000114.1K554 S556 S561K554-W558 VanDerWaalsContact O-CB 3.26Å; K554-W558 WeakPolarHBondContact O-CB 3.24Å; K554-W558 PolarHBondContact O-N 3.28Å; S556-W558 VanDerWaalsContact C-N 3.3Å; S556-W558 PolarHBondContact O-N 3.47Å; W558-S561 WeakPolarHBondContact CA-OG 3.41Å; W558-S561 PolarHBondContact O-OG 3.04Å
559L49.3Very low46.1Very low84 Ų84117.8 Ų117.844%0.4461%0.606SS.*Hα-helixtrans-87.6-42173.2-71.7167.1000111.6Q555 S556 E557 K562 Q563Q555-L559 HydrophobicContact CG-CD1 4.39Å; Q555-L559 WeakPolarHBondContact O-CD1 3.32Å; Q555-L559 VanDerWaalsContact O-CG 3.24Å; Q555-L559 WeakPolarHBondContact O-CG 3.42Å; Q555-L559 PolarHBondContact O-N 3.3Å; Q555-L559 VanDerWaalsContact O-N 3.1Å; S556-L559 PolarHBondContact O-N 2.95Å; E557-L559 VanDerWaalsContact C-N 3.27Å; E557-L559 PolarHBondContact O-N 3.22Å; L559-K562 WeakPolarHBondContact O-CB 3.42Å; L559-K562 PolarHBondContact O-N 3.12Å; L559-K562 VanDerWaalsContact O-N 3.12Å; L559-Q563 PolarHBondContact O-N 3.44Å; L559-Q563 VanDerWaalsContact O-N 3.1Å
560Q49.3Very low45.2Very low129 Ų129127 Ų12760%0.60363%0.629SS**Hα-helixtrans-62.5-44.3174.1-77-175.7-21.300111.9S556 E557 K562 Q563 S564S556-Q560 PolarHBondContact O-N 3.38Å; E557-Q560 PolarHBondContact O-N 3.09Å; Q560-K562 PolarHBondContact O-N 2.93Å; Q560-K562 VanDerWaalsContact O-N 3.15Å; Q560-Q563 PolarHBondContact O-N 3.43Å; Q560-S564 PolarHBondContact O-N 2.98Å; Q560-S564 PolarHBondContact O-OG 3.18Å
561S49.8Very low44.2Very low73 Ų73133.8 Ų133.851%0.5165%0.649SS.*Hα-helixtrans-64.5-14.4174.655.20000114.1E557 W558E557-S561 VanDerWaalsContact O-CB 3.3Å; E557-S561 WeakPolarHBondContact O-CB 3.33Å; E557-S561 PolarHBondContact O-N 3.42Å; E557-S561 PolarHBondContact O-OG 2.85Å; W558-S561 WeakPolarHBondContact CA-OG 3.41Å; W558-S561 PolarHBondContact O-OG 3.04Å
562K45.3Very low43.1Very low126 Ų126131.3 Ų131.355%0.54865%0.65SS.*Hα-helixtrans-86-31.9166-87.8175.7170.1174.70113.6L559 Q560L559-K562 WeakPolarHBondContact O-CB 3.42Å; L559-K562 PolarHBondContact O-N 3.12Å; L559-K562 VanDerWaalsContact O-N 3.12Å; Q560-K562 PolarHBondContact O-N 2.93Å; Q560-K562 VanDerWaalsContact O-N 3.15Å
563Q45.3Very low41.8Very low158 Ų158132.5 Ų132.574%0.73866%0.656SS**Hα-helixtrans-78.7-35.9179.3-73.4177.6-52.600112.3L559 Q560 G565L559-Q563 PolarHBondContact O-N 3.44Å; L559-Q563 VanDerWaalsContact O-N 3.1Å; Q560-Q563 PolarHBondContact O-N 3.43Å; Q563-G565 PolarHBondContact O-N 3.44Å
564S37Very low40.5Very low98 Ų98136.1 Ų136.169%0.68567%0.67SS**SBendtrans-72-7.5171.8620000113.8Q560 K566Q560-S564 PolarHBondContact O-N 2.98Å; Q560-S564 PolarHBondContact O-OG 3.18Å; S564-K566 PolarHBondContact O-N 2.91Å
565G36.8Very low39.2Very low64 Ų64137.6 Ų137.666%0.6668%0.679SS**  trans-71.326.5-177.600000116.5Q563Q563-G565 PolarHBondContact O-N 3.44Å
566K36.5Very low37.8Very low205 Ų205136.8 Ų136.889%0.89169%0.686SS**SBendtrans-120.965.8-176.2-134.2-172.8-172.3-172.60112.9S564S564-K566 PolarHBondContact O-N 2.91Å
567G34.8Very low36.2Very low66 Ų66142.8 Ų142.868%0.6871%0.708SS**SBendtrans123.282.9159.100000117
568R28.8Very low34.7Very low252 Ų252145 Ų14595%0.95172%0.724SS**  trans-165.7143.8133.2-103.5151.4109.4152.31109.5
569K30Very low33.3Very low213 Ų213146.4 Ų146.493%0.92674%0.736SS**PPolyproline II helixtrans-66.5136.5173-66.9174.2179.6172.40108.4
570R28.9Very low32.1Very low246 Ų246147.4 Ų147.493%0.92875%0.746SS**PPolyproline II helixtrans-101.9130.2156.5-75.2-171.9173.7-178.9-2.6108.6
571K26.3Very low30.9Very low180 Ų180149.4 Ų149.478%0.78376%0.755SS**PPolyproline II helixtrans-72169.3163.7-147-173.3172.3-133.20107.9E573K571-E573 IonicContact NZ-OE1 3.18Å
572A25.7Very low29.7Very low77 Ų77151.9 Ų151.964%0.63676%0.763SS**  trans-110.7157.3179.300000110.5
573E27.5Very low28.7Very low150 Ų150153 Ų15370%0.70177%0.768SS**  trans169.3132.8157.4-85.2125.3-140.500102.5K571K571-E573 IonicContact NZ-OE1 3.18Å
574E25.7Very low27.6Very low176 Ų176152.9 Ų152.982%0.82277%0.767SS**  65.3131.258.7-74.8164.5170.700110.3
575E26.1Very low27.1Very low173 Ų173155.7 Ų155.781%0.80877%0.769SS**  cis-151.8158.520.8-119.7170.1174.800110
576S25.1Very low26.4Very low97 Ų97160.1 Ų160.168%0.67877%0.77SS**  114.2169.679.465.30000112.9
577E23.1Very low25.8Very low178 Ų178157.5 Ų157.583%0.83276%0.761SS**  trans-134.1148.8-177.4-36.397.6103.600109.8
578D25.2Very low25.3Very low151 Ų151162.8 Ų162.881%0.80777%0.768SS**  cis-164179.2-1.9-147.5-35.9000109.4
579E23.5Very low25Very low178 Ų178157.2 Ų157.283%0.83276%0.762SS**  trans67.9160.1168.5-63.1-176159.700118.1
580V24.2Very low25Very low106 Ų106151.1 Ų151.164%0.64275%0.751SS**  cis-165.7161.4-16.9135.50000110.3
581E23.9Very low25.1Very low171 Ų171145.4 Ų145.480%0.79975%0.746SS**  trans71.6121.3165.9-88.9156.2-151.100119
582D23.9Very low25.2Very low125 Ų125141.4 Ų141.467%0.66875%0.747SS**  77.5138.295.6-103.212.1000114.2
583K23.9Very low25.3Very low150 Ų150146.7 Ų146.765%0.65276%0.758SS**  cis-164-171.9-4-143.2-177-149.975.40110.8
584E23.3Very low25.2Very low155 Ų155145.5 Ų145.572%0.72476%0.761SS**  trans71.2114.3163.8-81154.7-131.300117.1
585E25.1Very low25.3Very low156 Ų156146.3 Ų146.373%0.72977%0.765SS**  80.3124.988.9-86.7-170.8-143.200111.9
586K22.7Very low25.1Very low157 Ų157144.2 Ų144.268%0.68376%0.764SS**  cis-169.2173.137.4-110.7170.8174.8166.70109.5
587E24.9Very low25.7Very low150 Ų150145.1 Ų145.170%0.70177%0.767SS**  cis-163.6177.4-16.6-151.8154.7-168.600108.6
588E23.5Very low25.8Very low177 Ų177146 Ų14683%0.82777%0.768SS**  trans66.4163.1163.5-57.9-159142.400121.3
589V23.5Very low26.4Very low136 Ų136144.1 Ų144.182%0.82476%0.764SS**  -163.7145.9-73.9136.40000113
590A28.3Very low26.5Very low84 Ų84141.2 Ų141.269%0.69476%0.764SS**  trans63.7-177.7162.800000117.8
591P32.9Very low26.6Very low126 Ų126144.3 Ų144.382%0.81877%0.771SS**  -129-170.9-79.340.9-26.6000113.4
592A28.3Very low26.8Very low97 Ų97144.6 Ų144.680%0.80277%0.773SS**  trans-128.8133172.500000111
593E25.9Very low27Very low187 Ų187143.4 Ų143.487%0.87478%0.78SS**  trans-136.5158.7171.6-73.6-15814400113
594V26.8Very low27.1Very low125 Ų125140 Ų14076%0.75878%0.779SS**  trans-19.3139.6167-172.30000118.2
595E26.8Very low27.4Very low194 Ų194141.4 Ų141.491%0.90779%0.786SS**  trans-131.4147.4148.6-80.3-160.4146.600112.6
596T23.4Very low27.5Very low128 Ų128143 Ų14379%0.78579%0.794SS**  trans-134.7160.2167.7420000108.6
597P36.4Very low27.6Very low116 Ų116140 Ų14075%0.75379%0.792SS**  trans-106.4177.3-144.639.9-38.3000117
598K24.9Very low27.7Very low197 Ų197139.5 Ų139.586%0.85780%0.795SS**  trans83.2160.4167.2-69.7-171.3172.6-172.40117
599P37.3Very low27.9Very low111 Ų111136.7 Ų136.772%0.72180%0.795SS**  cis-138.6-179.7-38.138.6-22.9000113.1
600S27Very low28.2Very low117 Ų117138.2 Ų138.282%0.81880%0.798SS**  trans-147143.815362.30000112.3
601Q26.9Very low28.2Very low172 Ų172141 Ų14180%0.80480%0.801SS**  trans-95-171.1170-67.4160.2-104.200107.7
602E27Very low28.2Very low177 Ų177139.7 Ų139.783%0.82780%0.795SS**  cis-156.3162.726.7-63.3175.6131.900112.5
603A27.4Very low28.6Very low100 Ų100140 Ų14083%0.82679%0.791SS**  trans56.5151141.500000121.4
604A27.7Very low29.4Very low77 Ų77136.1 Ų136.164%0.63678%0.777SS**  cis-143.2143.5100000108.4
605E27.8Very low30.2Very low185 Ų185136.6 Ų136.686%0.86478%0.775SS**  61.614386.9-51.3171.2166.900113.8
606E27.6Very low31.1Very low191 Ų191134.4 Ų134.489%0.89377%0.765SS**  cis-120.3-158.710.5-47.2149.711500110.3
607S25.8Very low31.9Very low93 Ų93133.5 Ų133.565%0.6576%0.755SS**  cis-156.6134.1-7.6170.20000110.5
608D27.4Very low32.2Very low140 Ų140134.3 Ų134.375%0.74975%0.749SS**  trans41137.9142.6-51.8-63.9000128.3
609S26.3Very low33.2Very low118 Ų118130.3 Ų130.383%0.82574%0.736SS**  trans77.8133.8148.770.90000120.7
610D30.4Very low33.6Very low168 Ų168129.2 Ų129.290%0.89873%0.727SS**  cis-161.5-179.6-22.2-155.2-6000110.2
611D28.9Very low34.4Very low141 Ų141131.5 Ų131.575%0.75472%0.722SS**  trans91.595.1159.6-152.127.8000120.2
612S32.4Very low35.3Very low99 Ų99129.3 Ų129.369%0.69271%0.713SS**  55154.2127.9-164.10000123.1
613S37.1Very low36.1Very low104 Ų104129.2 Ų129.273%0.72771%0.71SS**  164143.8-51.259.70000108.6
614D42.4Very low36.8Very low106 Ų106132.5 Ų132.557%0.56771%0.708SS**  cis-158.4164.3-6.7169.140.7000107.3E616 N617D614-E616 PolarHBondContact OD1-N 3Å; D614-N617 WeakPolarHBondContact OD2-CB 3.5Å; D614-N617 PolarHBondContact OD2-ND2 3.04Å
615D42.5Very low37.4Very low135 Ų135132.9 Ų132.972%0.72271%0.712SS**SBendtrans-142.5-24.5-173.6-132.7-27.9000113
616E45.4Very low38.2Very low147 Ų147135.3 Ų135.369%0.68771%0.713SS**Hα-helixtrans-81.4-21.9-170.1-74.3-81141.100113.6D614 E618D614-E616 PolarHBondContact OD1-N 3Å; E616-E618 PolarHBondContact O-N 3.37Å
617N40.8Very low38.7Very low110 Ų110129.4 Ų129.459%0.58870%0.703SS**Hα-helixtrans-76.7-17.2-175-83.1-56.4000115.2D614 T620D614-N617 WeakPolarHBondContact OD2-CB 3.5Å; D614-N617 PolarHBondContact OD2-ND2 3.04Å; N617-T620 PolarHBondContact O-OG1 2.88Å
618E43.7Very low39Very low133 Ų133130.7 Ų130.762%0.62171%0.712SS**Hα-helixtrans-81.1-38.2-177.9-165.6170-128.800112.5E616 T620 K621 M622E616-E618 PolarHBondContact O-N 3.37Å; E618-T620 VanDerWaalsContact C-N 3.31Å; E618-T620 PolarHBondContact O-N 3.27Å; E618-K621 WeakPolarHBondContact O-CB 3.24Å; E618-K621 PolarHBondContact O-N 2.84Å; E618-M622 HydrophobicContact CG-CE 4.16Å; E618-M622 PolarHBondContact O-N 2.9Å
619I46Very low39.2Very low113 Ų113128 Ų12858%0.57972%0.718SS**Hα-helixtrans-62.9-36.2-176.3-58174.9000111.8
620T44.9Very low39.3Very low88 Ų88126.1 Ų126.154%0.5472%0.717SS.*Hα-helixtrans-70-39.5179.5610000111.8N617 E618 K623N617-T620 PolarHBondContact O-OG1 2.88Å; E618-T620 VanDerWaalsContact C-N 3.31Å; E618-T620 PolarHBondContact O-N 3.27Å; T620-K623 PolarHBondContact O-N 2.98Å
621K43.7Very low39.6Very low165 Ų165123 Ų12372%0.71771%0.714SS**Hα-helixtrans-63.4-47.4179.8-128.8170.9-175.2174.70111.9E618 K623 Q624E618-K621 WeakPolarHBondContact O-CB 3.24Å; E618-K621 PolarHBondContact O-N 2.84Å; K621-K623 PolarHBondContact O-N 2.86Å; K621-Q624 PolarHBondContact O-N 2.89Å
622M45.8Very low39.6Very low125 Ų125122.3 Ų122.362%0.61672%0.72SS**Hα-helixtrans-62.3-25.7177.9-69.4-163.7-175.500113.6E618E618-M622 HydrophobicContact CG-CE 4.16Å; E618-M622 PolarHBondContact O-N 2.9Å
623K44.8Very low39.4Very low176 Ų176121.7 Ų121.777%0.76573%0.73SS**Hα-helixtrans-79.5-27.1-175.3-159.5171.5-175.4176.90113.6T620 K621T620-K623 PolarHBondContact O-N 2.98Å; K621-K623 PolarHBondContact O-N 2.86Å
624Q40.9Very low39.1Very low168 Ų168120.7 Ų120.779%0.78574%0.736SS**Hα-helixtrans-80.8-25.8177-67.6-175.1-10.700112.8K621 R626 G627K621-Q624 PolarHBondContact O-N 2.89Å; Q624-R626 PolarHBondContact O-N 3.47Å; Q624-R626 VanDerWaalsContact O-N 3.08Å; Q624-G627 PolarHBondContact O-N 2.82Å
625A40.9Very low38.5Very low85 Ų85120.6 Ų120.670%0.70275%0.75SS**THydrogen-bonded Turntrans-69.3-1.9-178.700000115.5
626R43.9Very low38.3Very low237 Ų237122.6 Ų122.689%0.89476%0.755SS**THydrogen-bonded Turntrans-104.318.9180-66.4-173.1170.9-161.5-3.9113.7Q624Q624-R626 PolarHBondContact O-N 3.47Å; Q624-R626 VanDerWaalsContact O-N 3.08Å
627G38.8Very low37.9Very low67 Ų67123.1 Ų123.169%0.69176%0.762SS**SBendtrans-112.9-1.4-166.700000117.7Q624Q624-G627 PolarHBondContact O-N 2.82Å
628S33.1Very low37.7Very low120 Ų120125 Ų12584%0.83977%0.772SS**  trans-158.2150.718052.40000111.5
629G30.1Very low37.9Very low83 Ų83125.7 Ų125.786%0.85678%0.78SS**  trans147.444.8179.500000115.9
630G29.9Very low37.6Very low78 Ų78128.8 Ų128.880%0.80479%0.79SS**  trans-97.5107.2176.300000112.7
631A35.1Very low37.7Very low103 Ų103132.6 Ų132.685%0.85180%0.802SS**  trans52.1110.9160.200000120.2
632S29.2Very low38Very low126 Ų126130.6 Ų130.688%0.88180%0.803SS**  trans-162.1150140.4610000111.5
633G28Very low38.1Very low86 Ų86130 Ų13089%0.88781%0.806SS**  trans77.8137.6166.600000116.4
634G31.4Very low38.2Very low83 Ų83127 Ų12786%0.85681%0.805SS**  trans-131.7159.9165.600000110
635A30.2Very low38.5Very low104 Ų104125.5 Ų125.586%0.8681%0.806SS**  trans-152.1156.2168.600000108.4
636E37.1Very low38.8Very low178 Ų178129.2 Ų129.283%0.83281%0.809SS**  trans-83.5159.5174.6-65.8163.6131.100110.6
637D37.7Very low38.9Very low157 Ų157122.4 Ų122.484%0.8480%0.798SS**  trans55.4134.7170.1-51.6-23.8000117.1
638D36.7Very low39.3Very low150 Ų150126.4 Ų126.480%0.80280%0.802SS**  cis-154.7171.637.4-151.5-21.2000112.5F640D638-F640 PolarHBondContact O-N 2.98Å
639N48.4Very low40.3Very low148 Ų148125.2 Ų125.279%0.79179%0.793SS**  trans-35.5109.6-176.5-175.522.5000117.6
640F39.7Very low41.4Very low177 Ų177128.7 Ų128.778%0.77679%0.785SS**  trans-135.5122.6165.7-164.5-89.2000112.5D638 V642D638-F640 PolarHBondContact O-N 2.98Å; F640-V642 PolarHBondContact O-N 3.14Å
641Q46.6Very low42.4Very low169 Ų169134.3 Ų134.379%0.7979%0.787SS**  trans-80.2102.9-177.6-168.117419.400111.5V643Q641-V643 PolarHBondContact O-N 2.92Å
642V50.3Low43.5Very low123 Ų123134 Ų13475%0.74579%0.785SS**  trans-7293.1179-176.50000110.9F640 P644F640-V642 PolarHBondContact O-N 3.14Å; V642-P644 WeakPolarHBondContact O-CD 3.23Å
643V46.9Very low45.4Very low111 Ų111138 Ų13867%0.67378%0.781SS**  trans-71123.31681790000108.9Q641 V645Q641-V643 PolarHBondContact O-N 2.92Å; V643-V645 PolarHBondContact O-N 2.87Å
644P48.2Very low47.4Very low114 Ų114140.9 Ų140.974%0.7477%0.774SS**  trans-64.6120.6176.6-21.633.7000111.1V642 E646V642-P644 WeakPolarHBondContact O-CD 3.23Å; P644-E646 PolarHBondContact O-N 3.35Å; P644-E646 VanDerWaalsContact O-N 3.08Å
645V46.2Very low49.8Very low136 Ų136141 Ų14182%0.82476%0.755SS**  trans-70.5105.6172.3179.50000108.5V643 S647V643-V645 PolarHBondContact O-N 2.87Å; V645-S647 PolarHBondContact O-N 3.41Å
646E47Very low52.4Low163 Ų163142.6 Ų142.676%0.76275%0.749SS**  trans-53.1124.9173.5-73.8-157.4149.400110.4P644 I648P644-E646 PolarHBondContact O-N 3.35Å; P644-E646 VanDerWaalsContact O-N 3.08Å; E646-I648 WeakPolarHBondContact O-CG1 3.46Å; E646-I648 PolarHBondContact O-N 3.13Å
647S46.5Very low54.7Low94 Ų94134.6 Ų134.666%0.65771%0.714SS**  trans-65.8105.2-178.562.50000110.6V645 S649V645-S647 PolarHBondContact O-N 3.41Å; S647-S649 PolarHBondContact O-N 2.85Å
648I47.5Very low57Low152 Ų152131 Ų13178%0.77969%0.692SS**SBendtrans-63.2-6.2-176.2-54.4-179000112.6E646 K650E646-I648 WeakPolarHBondContact O-CG1 3.46Å; E646-I648 PolarHBondContact O-N 3.13Å; I648-K650 PolarHBondContact O-N 3.16Å
649S53.9Low59.4Low94 Ų94124.8 Ų124.866%0.65766%0.663SS**  trans-65.754.2163.250.30000113.3S647 K651S647-S649 PolarHBondContact O-N 2.85Å; S649-K651 PolarHBondContact O-N 3.23Å
650K52.2Low61.3Low157 Ų157120.4 Ų120.468%0.68364%0.639SS**  trans-50.3104.4167-75.3172.8177.9166.30108.4I648 A652I648-K650 PolarHBondContact O-N 3.16Å; K650-A652 PolarHBondContact O-N 2.91Å
651K52Low63.6Low195 Ų195112 Ų11285%0.84860%0.602SS**  trans-40.8123.2177.2-69.6170.7179.6167.80108.5S649 R653S649-K651 PolarHBondContact O-N 3.23Å; K651-R653 PolarHBondContact O-N 3.14Å
652A57.9Low65.5Low97 Ų97105.7 Ų105.780%0.80257%0.574SS**  trans-47.6111-170.500000110.2K650 I654K650-A652 PolarHBondContact O-N 2.91Å; A652-I654 PolarHBondContact O-N 2.87Å
653R68.1Low67.3Low210 Ų210101.2 Ų101.279%0.79255%0.553SS**  trans-54.6126.1-171.8-75.3179.8170.2173.5-5108.4K651 L655K651-R653 PolarHBondContact O-N 3.14Å; R653-L655 PolarHBondContact O-N 2.94Å
654I71.9Confident69.1Low146 Ų14698 Ų9875%0.74954%0.535SS*.  trans-62.7107.2178.7-60.9175.1000107.1A652 W723A652-I654 PolarHBondContact O-N 2.87Å; I654-W723 HydrophobicContact CG2-CH2 4.04Å; I654-W723 HydrophobicContact CG2-CZ2 4.33Å
655L79.9Confident70.9Confident86 Ų8693.4 Ų93.445%0.4550%0.503SS..  trans-74.6131.5-177.3-67.1173.9000110R653 L660R653-L655 PolarHBondContact O-N 2.94Å; L655-L660 HydrophobicContact CB-CD2 3.89Å; L655-L660 HydrophobicContact CB-CG 3.85Å; L655-L660 HydrophobicContact CD1-CD2 4.3Å; L655-L660 WeakPolarHBondContact O-CD1 3.5Å
656D85.4Confident72.9Confident137 Ų13790.5 Ų90.573%0.73348%0.483SS*.  trans-56.9161.1165.8-82.1-42.9000111.3E658 G659 L660D656-E658 PolarHBondContact O-N 3.35Å; D656-G659 CarbonylContact O-C 3.58Å; D656-G659 WeakPolarHBondContact O-CA 3.32Å; D656-G659 PolarHBondContact O-N 2.87Å; D656-L660 PolarHBondContact O-N 2.88Å
657A86.2Confident74.9Confident11 Ų1187 Ų879%0.09148%0.481CS..Hα-helixtrans-55.6-25.2179.500000114.3A661 K720A657-A661 WeakPolarHBondContact O-CB 3.47Å; A657-A661 PolarHBondContact O-N 3.5Å; A657-K720 HydrophobicContact CB-CD 4.4Å; A657-K720 HydrophobicContact CB-CG 3.5Å
658E85.8Confident76.7Confident81 Ų8187 Ų8738%0.37948%0.477SS..Hα-helixtrans-78.7-38.7174-74.3159.8-139.800111.9D656 A661 L662 V716 K720D656-E658 PolarHBondContact O-N 3.35Å; E658-A661 PolarHBondContact O-N 2.92Å; E658-L662 PolarHBondContact O-N 3.29Å; E658-V716 HydrophobicContact CG-CB 4.25Å; E658-V716 HydrophobicContact CG-CG1 3.48Å; E658-V716 VanDerWaalsContact CG-CG1 3.48Å; E658-V716 HydrophobicContact CG-CG2 3.69Å; E658-K720 IonicContact OE1-NZ 2.73Å; E658-K720 PolarHBondContact OE1-NZ 3.41Å
659G87.3Confident78.6Confident20 Ų2081.6 Ų81.621%0.20645%0.453CS..Hα-helixtrans-68-35.1171.100000113.3D656 G663D656-G659 CarbonylContact O-C 3.58Å; D656-G659 WeakPolarHBondContact O-CA 3.32Å; D656-G659 PolarHBondContact O-N 2.87Å; G659-G663 PolarHBondContact O-N 2.89Å
660L87.8Confident80.1Confident55 Ų5585.7 Ų85.729%0.28846%0.459SS..Hα-helixtrans-67.5-38.4172.9-71171.3000112.1L655 D656 G663 C664 Y719 W723L655-L660 HydrophobicContact CB-CD2 3.89Å; L655-L660 HydrophobicContact CB-CG 3.85Å; L655-L660 HydrophobicContact CD1-CD2 4.3Å; L655-L660 WeakPolarHBondContact O-CD1 3.5Å; D656-L660 PolarHBondContact O-N 2.88Å; L660-G663 PolarHBondContact O-N 2.77Å; L660-C664 WeakPolarHBondContact O-CB 3.3Å; L660-C664 PolarHBondContact O-N 3.26Å; L660-Y719 HydrophobicContact CB-CD1 4.32Å; L660-Y719 HydrophobicContact CB-CG 4.47Å; L660-W723 HydrophobicContact CD1-CZ2 4.36Å
661A88.1Confident81.8Confident0 Ų084.5 Ų84.50%045%0.454CS..Hα-helixtrans-69.2-42175.700000111.7A657 E658 C664 E665 V711 V716 Y719A657-A661 WeakPolarHBondContact O-CB 3.47Å; A657-A661 PolarHBondContact O-N 3.5Å; E658-A661 PolarHBondContact O-N 2.92Å; A661-C664 WeakPolarHBondContact O-CB 3.37Å; A661-C664 PolarHBondContact O-N 3.16Å; A661-E665 WeakPolarHBondContact O-CG 3.22Å; A661-E665 PolarHBondContact O-N 2.94Å; A661-V711 HydrophobicContact CB-CG1 3.66Å; A661-V716 HydrophobicContact CB-CG2 4.34Å; A661-Y719 HydrophobicContact CB-CD2 3.85Å; A661-Y719 HydrophobicContact CB-CE2 4.1Å
662L87.2Confident83.4Confident38 Ų3880.1 Ų80.120%0.19943%0.432CS..Hα-helixtrans-57.8-48.9168.6-83.8173.2000112.1E658 C664 E665 I666 L676 V709 P710 V711E658-L662 PolarHBondContact O-N 3.29Å; L662-C664 PolarHBondContact O-N 3.32Å; L662-E665 PolarHBondContact O-N 2.86Å; L662-I666 VanDerWaalsContact O-CG1 3.31Å; L662-I666 WeakPolarHBondContact O-CG1 3.24Å; L662-I666 PolarHBondContact O-N 2.83Å; L662-L676 HydrophobicContact CD2-CD1 3.88Å; L662-L676 HydrophobicContact CD2-CD2 4.13Å; L662-V709 HydrophobicContact CD1-CG1 3.72Å; L662-V709 HydrophobicContact CD2-CG1 3.8Å; L662-V709 HydrophobicContact CG-CG1 3.62Å; L662-P710 HydrophobicContact CD2-CG 4.28Å; L662-V711 HydrophobicContact CD2-CG2 3.69Å; L662-V711 HydrophobicContact CG-CG2 3.91Å
663G87.3Confident84.7Confident29 Ų2977 Ų7730%0.29941%0.406SS..Hα-helixtrans-58.5-37.1178.300000112.6G659 L660 A667G659-G663 PolarHBondContact O-N 2.89Å; L660-G663 PolarHBondContact O-N 2.77Å; G663-A667 VanDerWaalsContact O-CB 3.27Å; G663-A667 WeakPolarHBondContact O-CB 3.46Å; G663-A667 PolarHBondContact O-N 3.42Å
664C85.8Confident85.7Confident43 Ų4374.5 Ų74.529%0.29140%0.397SS..Hα-helixtrans-63.6-47.1170.9-172.40000111.7L660 A661 L662 I666 A667 T668L660-C664 WeakPolarHBondContact O-CB 3.3Å; L660-C664 PolarHBondContact O-N 3.26Å; A661-C664 WeakPolarHBondContact O-CB 3.37Å; A661-C664 PolarHBondContact O-N 3.16Å; L662-C664 PolarHBondContact O-N 3.32Å; C664-I666 PolarHBondContact O-N 3.39Å; C664-A667 PolarHBondContact O-N 3.43Å; C664-T668 VanDerWaalsContact O-CG2 3.3Å; C664-T668 WeakPolarHBondContact O-CG2 3.07Å; C664-T668 PolarHBondContact O-N 3.47Å; C664-T668 PolarHBondContact O-OG1 3.17Å
665E85.7Confident86.4Confident18 Ų1870 Ų708%0.08437%0.374CS..Hα-helixtrans-61-44178-67.6-135.7143.700112.9A661 L662 T668 S669 R672 V711 M715A661-E665 WeakPolarHBondContact O-CG 3.22Å; A661-E665 PolarHBondContact O-N 2.94Å; L662-E665 PolarHBondContact O-N 2.86Å; E665-T668 WeakPolarHBondContact CA-OG1 3.44Å; E665-T668 PolarHBondContact O-N 3.39Å; E665-T668 PolarHBondContact O-OG1 3.09Å; E665-S669 PolarHBondContact O-N 3.13Å; E665-R672 VanDerWaalsContact CD-NH2 3.31Å; E665-R672 IonicContact OE1-CZ 3.09Å; E665-R672 IonicContact OE1-NH1 2.71Å; E665-R672 PolarHBondContact OE1-NH1 2.72Å; E665-R672 IonicContact OE1-NH2 3.39Å; E665-R672 PolarHBondContact OE1-NH2 2.8Å; E665-R672 IonicContact OE2-CZ 2.99Å; E665-R672 IonicContact OE2-NE 2.91Å; E665-R672 IonicContact OE2-NH1 2.77Å; E665-R672 IonicContact OE2-NH2 3.47Å; E665-R672 PolarHBondContact OE2-NH2 3.02Å; E665-V711 HydrophobicContact CG-CG2 4.4Å; E665-M715 HydrophobicContact CG-CE 3.84Å; E665-M715 WeakPolarHBondContact OE1-CE 3.42Å
666I88.1Confident86.6Confident75 Ų7567.9 Ų67.939%0.38536%0.363SS..Hα-helixtrans-58.3-49174.2-63.2163.6000110.3L662 C664 T668 S669 A673 L676L662-I666 VanDerWaalsContact O-CG1 3.31Å; L662-I666 WeakPolarHBondContact O-CG1 3.24Å; L662-I666 PolarHBondContact O-N 2.83Å; C664-I666 PolarHBondContact O-N 3.39Å; I666-T668 VanDerWaalsContact C-N 3.3Å; I666-T668 PolarHBondContact O-N 3.4Å; I666-S669 PolarHBondContact O-N 3.49Å; I666-A673 HydrophobicContact CG2-CB 4.1Å; I666-L676 HydrophobicContact CD1-CD2 3.52Å; I666-L676 HydrophobicContact CG1-CD2 3.67Å
667A87.7Confident86.6Confident89 Ų8965.4 Ų65.474%0.73635%0.353SS*.Hα-helixtrans-64.7-31179.700000113.1G663 C664G663-A667 VanDerWaalsContact O-CB 3.27Å; G663-A667 WeakPolarHBondContact O-CB 3.46Å; G663-A667 PolarHBondContact O-N 3.42Å; C664-A667 PolarHBondContact O-N 3.43Å
668T85.9Confident86.6Confident93 Ų9369.7 Ų69.757%0.57137%0.374SS*.Hα-helixtrans-76.4-23.7177.759.10000114.4C664 E665 I666C664-T668 VanDerWaalsContact O-CG2 3.3Å; C664-T668 WeakPolarHBondContact O-CG2 3.07Å; C664-T668 PolarHBondContact O-N 3.47Å; C664-T668 PolarHBondContact O-OG1 3.17Å; E665-T668 WeakPolarHBondContact CA-OG1 3.44Å; E665-T668 PolarHBondContact O-N 3.39Å; E665-T668 PolarHBondContact O-OG1 3.09Å; I666-T668 VanDerWaalsContact C-N 3.3Å; I666-T668 PolarHBondContact O-N 3.4Å
669S87.3Confident86.5Confident40 Ų4070 Ų7028%0.2838%0.376SS..  trans-155.7119-173.5-179.70000114.3E665 I666 K671 R672 A673E665-S669 PolarHBondContact O-N 3.13Å; I666-S669 PolarHBondContact O-N 3.49Å; S669-K671 PolarHBondContact O-N 3.26Å; S669-K671 VanDerWaalsContact O-N 3.14Å; S669-K671 PolarHBondContact OG-N 2.91Å; S669-K671 VanDerWaalsContact OG-N 3.13Å; S669-R672 PolarHBondContact O-N 2.96Å; S669-R672 VanDerWaalsContact O-N 3.1Å; S669-R672 PolarHBondContact OG-N 3.09Å; S669-A673 PolarHBondContact O-N 3.43Å
670K84.6Confident86.1Confident180 Ų18071.9 Ų71.978%0.78339%0.386SS*.Hα-helixtrans-57-23.1167-67.6-170.5178.2-173.20113.2R674K670-R674 PolarHBondContact O-N 3.49Å
671K87.9Confident85.9Confident131 Ų13176.6 Ų76.657%0.5740%0.404SS*.Hα-helixtrans-71.2-52.7172.7-165.5-165.4164.5178.40110.3S669 A673 R674 D675S669-K671 PolarHBondContact O-N 3.26Å; S669-K671 VanDerWaalsContact O-N 3.14Å; S669-K671 PolarHBondContact OG-N 2.91Å; S669-K671 VanDerWaalsContact OG-N 3.13Å; K671-A673 PolarHBondContact O-N 3.05Å; K671-R674 WeakPolarHBondContact O-CA 3.49Å; K671-R674 PolarHBondContact O-N 3.31Å; K671-D675 WeakPolarHBondContact CE-OD1 3.31Å; K671-D675 PolarHBondContact O-N 3.18Å
672R84.8Confident85.3Confident104 Ų10480 Ų8039%0.39242%0.42SS..Hα-helixtrans-58.8-31.6177.7-72.9-178.1168.1-174.8-32.1113E665 S669 D675 L676E665-R672 VanDerWaalsContact CD-NH2 3.31Å; E665-R672 IonicContact OE1-CZ 3.09Å; E665-R672 IonicContact OE1-NH1 2.71Å; E665-R672 PolarHBondContact OE1-NH1 2.72Å; E665-R672 IonicContact OE1-NH2 3.39Å; E665-R672 PolarHBondContact OE1-NH2 2.8Å; E665-R672 IonicContact OE2-CZ 2.99Å; E665-R672 IonicContact OE2-NE 2.91Å; E665-R672 IonicContact OE2-NH1 2.77Å; E665-R672 IonicContact OE2-NH2 3.47Å; E665-R672 PolarHBondContact OE2-NH2 3.02Å; S669-R672 PolarHBondContact O-N 2.96Å; S669-R672 VanDerWaalsContact O-N 3.1Å; S669-R672 PolarHBondContact OG-N 3.09Å; R672-D675 PolarHBondContact O-N 2.7Å; R672-L676 WeakPolarHBondContact O-CB 3.3Å; R672-L676 PolarHBondContact O-N 3.14Å
673A86.8Confident84.9Confident31 Ų3189.2 Ų89.226%0.25645%0.452SS..Hα-helixtrans-60-42.6171.600000112.6I666 S669 K671 V677I666-A673 HydrophobicContact CG2-CB 4.1Å; S669-A673 PolarHBondContact O-N 3.43Å; K671-A673 PolarHBondContact O-N 3.05Å; A673-V677 WeakPolarHBondContact O-CG2 3.42Å; A673-V677 PolarHBondContact O-N 3.3Å
674R87.8Confident84.3Confident157 Ų15791.4 Ų91.459%0.59245%0.453SS*.Hα-helixtrans-71.9-48.1172.9-60-167.2-15195.4-7.1111.9K670 K671 L676 V677 D678K670-R674 PolarHBondContact O-N 3.49Å; K671-R674 WeakPolarHBondContact O-CA 3.49Å; K671-R674 PolarHBondContact O-N 3.31Å; R674-L676 PolarHBondContact O-N 2.94Å; R674-V677 WeakPolarHBondContact O-CA 3.5Å; R674-V677 WeakPolarHBondContact O-CB 3.29Å; R674-V677 PolarHBondContact O-N 3.37Å; R674-D678 PolarHBondContact O-N 3.21Å
675D86.4Confident83.6Confident51 Ų5191.4 Ų91.427%0.27346%0.457SS..Hα-helixtrans-53-34.6177.9-54.1-32.5000110.6K671 R672 H679K671-D675 WeakPolarHBondContact CE-OD1 3.31Å; K671-D675 PolarHBondContact O-N 3.18Å; R672-D675 PolarHBondContact O-N 2.7Å; D675-H679 WeakPolarHBondContact O-CB 3.3Å; D675-H679 PolarHBondContact O-CD2 3.06Å; D675-H679 VanDerWaalsContact O-CD2 3.25Å; D675-H679 PolarHBondContact O-N 2.88Å
676L85Confident82.9Confident42 Ų4297.3 Ų97.322%0.2249%0.489CS..Hα-helixtrans-73.1-34.7175.4-174.164.3000114.1L662 I666 R672 R674 H679 S680 P710L662-L676 HydrophobicContact CD2-CD1 3.88Å; L662-L676 HydrophobicContact CD2-CD2 4.13Å; I666-L676 HydrophobicContact CD1-CD2 3.52Å; I666-L676 HydrophobicContact CG1-CD2 3.67Å; R672-L676 WeakPolarHBondContact O-CB 3.3Å; R672-L676 PolarHBondContact O-N 3.14Å; R674-L676 PolarHBondContact O-N 2.94Å; L676-H679 CarbonylContact O-C 3.57Å; L676-H679 PolarHBondContact O-N 3.02Å; L676-S680 PolarHBondContact O-N 2.71Å; L676-P710 HydrophobicContact CD1-CG 3.99Å
677V85.9Confident81.7Confident85 Ų8596.8 Ų96.852%0.51549%0.492SS..Hα-helixtrans-69.9-45173.6170.70000110.3A673 R674 H679 S680 F681A673-V677 WeakPolarHBondContact O-CG2 3.42Å; A673-V677 PolarHBondContact O-N 3.3Å; R674-V677 WeakPolarHBondContact O-CA 3.5Å; R674-V677 WeakPolarHBondContact O-CB 3.29Å; R674-V677 PolarHBondContact O-N 3.37Å; V677-H679 PolarHBondContact O-N 3.47Å; V677-S680 VanDerWaalsContact O-CB 3.24Å; V677-S680 WeakPolarHBondContact O-CB 3.36Å; V677-S680 PolarHBondContact O-N 2.62Å; V677-S680 PolarHBondContact O-OG 3.3Å; V677-F681 WeakPolarHBondContact O-CD2 3.46Å
678D86.7Confident80.2Confident101 Ų10199.5 Ų99.554%0.5449%0.494SS..Hα-helixtrans-59.3-39.6173.6-57.2-28000110.3R674 S680 F681R674-D678 PolarHBondContact O-N 3.21Å; D678-S680 VanDerWaalsContact C-N 3.26Å; D678-S680 PolarHBondContact O-N 3.1Å; D678-F681 PolarHBondContact O-N 2.97Å
679H81.9Confident79Confident88 Ų88102.7 Ų102.741%0.40750%0.502SS..THydrogen-bonded Turntrans-72.2-5.4172-79.6-9.5000115.8D675 L676 V677 R707D675-H679 WeakPolarHBondContact O-CB 3.3Å; D675-H679 PolarHBondContact O-CD2 3.06Å; D675-H679 VanDerWaalsContact O-CD2 3.25Å; D675-H679 PolarHBondContact O-N 2.88Å; L676-H679 CarbonylContact O-C 3.57Å; L676-H679 PolarHBondContact O-N 3.02Å; V677-H679 PolarHBondContact O-N 3.47Å; H679-R707 PolarHBondContact O-NH1 3.25Å
680S80.7Confident77.7Confident60 Ų60105.7 Ų105.742%0.4252%0.521SS..THydrogen-bonded Turntrans-77.7-30.617377.10000111.4L676 V677 D678 H682L676-S680 PolarHBondContact O-N 2.71Å; V677-S680 VanDerWaalsContact O-CB 3.24Å; V677-S680 WeakPolarHBondContact O-CB 3.36Å; V677-S680 PolarHBondContact O-N 2.62Å; V677-S680 PolarHBondContact O-OG 3.3Å; D678-S680 VanDerWaalsContact C-N 3.26Å; D678-S680 PolarHBondContact O-N 3.1Å; S680-H682 PolarHBondContact O-N 2.82Å; S680-H682 PolarHBondContact O-ND1 2.96Å
681F82.2Confident76.6Confident154 Ų154108 Ų10868%0.67553%0.525SS*.  trans-71.7112.3171-59.3-78.1000110V677 D678V677-F681 WeakPolarHBondContact O-CD2 3.46Å; D678-F681 PolarHBondContact O-N 2.97Å
682H75.6Confident75.6Confident72 Ų72110 Ų11033%0.33354%0.536SS..SBendtrans-156.6172.5-179.469.8-63.7000110.7S680 F684 A685S680-H682 PolarHBondContact O-N 2.82Å; S680-H682 PolarHBondContact O-ND1 2.96Å; H682-F684 PolarHBondContact O-N 2.79Å; H682-A685 VanDerWaalsContact O-CB 3.31Å; H682-A685 WeakPolarHBondContact O-CB 3.33Å; H682-A685 PolarHBondContact O-N 3.24Å
683R79.5Confident75.2Confident230 Ų230107.7 Ų107.787%0.86853%0.533SS*.THydrogen-bonded Turntrans-52.2-19.5-175.8-177172177.5173.60.4115.4
684F74.5Confident75.1Confident75 Ų75109.6 Ų109.633%0.32954%0.543SS..THydrogen-bonded Turntrans-11511.4-178.1-50.7-51.8000113.5H682 R705H682-F684 PolarHBondContact O-N 2.79Å; F684-R705 HydrophobicContact CD1-CG 3.99Å; F684-R705 HydrophobicContact CD2-CB 4.1Å; F684-R705 HydrophobicContact CD2-CG 4.33Å; F684-R705 HydrophobicContact CE1-CG 3.95Å; F684-R705 HydrophobicContact CE2-CB 4.3Å; F684-R705 HydrophobicContact CE2-CG 4.3Å; F684-R705 HydrophobicContact CG-CB 4.24Å; F684-R705 HydrophobicContact CG-CG 4.18Å; F684-R705 HydrophobicContact CZ-CG 4.11Å; F684-R705 PolarHBondContact O-NH2 2.86Å
685A71.6Confident74.8Confident44 Ų44109.7 Ų109.736%0.36455%0.55SS.*SBendtrans-75.1-40.4-178.800000112.9H682 S687H682-A685 VanDerWaalsContact O-CB 3.31Å; H682-A685 WeakPolarHBondContact O-CB 3.33Å; H682-A685 PolarHBondContact O-N 3.24Å; A685-S687 PolarHBondContact O-N 2.91Å
686N70Confident74.8Confident142 Ų142116.1 Ų116.176%0.75957%0.571SS**  trans-95.273.6177.6-6351.4000109.1
687S62.6Low74.7Confident64 Ų64118.2 Ų118.245%0.44858%0.579SS.*  trans-117.3114.1158.847.10000108A685 R705A685-S687 PolarHBondContact O-N 2.91Å; S687-R705 VanDerWaalsContact CB-NH2 3.31Å; S687-R705 PolarHBondContact OG-NH2 3.34Å
688D57.3Low74.5Confident146 Ų146116.4 Ų116.478%0.78157%0.566SS**  trans-77.1-166.1-177.4-53.9-51000111.1
689E59.3Low74.3Confident160 Ų160114.5 Ų114.575%0.74856%0.556SS**  trans-71.4151.2-138.4-57-170.1136.500117W691E689-W691 PolarHBondContact O-N 3.09Å
690P60.5Low74.5Confident103 Ų103113.9 Ų113.967%0.66956%0.555SS**THydrogen-bonded Turntrans-68.91.8-174.6-19.733.5000116.7L698P690-L698 HydrophobicContact CB-CD1 4.44Å
691W62.6Low74.6Confident229 Ų229113.5 Ų113.587%0.86755%0.547SS*.THydrogen-bonded Turntrans-75.6-33.5-166.8166.8-106.4000114.2E689E689-W691 PolarHBondContact O-N 3.09Å
692E65.6Low74.6Confident172 Ų172113.8 Ų113.880%0.80454%0.543SS*.SBendtrans-98.91.5-173.1-57.8-165.114400114.5
693V76.5Confident74.9Confident55 Ų55115.1 Ų115.133%0.33355%0.548SS..SBendtrans-117.9122-166.5-173.90000111.5F697 L698V693-F697 HydrophobicContact CG1-CB 4.22Å; V693-F697 HydrophobicContact CG1-CD1 3.35Å; V693-F697 HydrophobicContact CG1-CE1 4.04Å; V693-F697 HydrophobicContact CG1-CG 4.11Å; V693-L698 HydrophobicContact CB-CD2 4.02Å; V693-L698 HydrophobicContact CB-CG 4.22Å; V693-L698 HydrophobicContact CG1-CD2 3.73Å; V693-L698 HydrophobicContact CG1-CG 3.91Å
694P85.7Confident75.1Confident72 Ų72111 Ų11147%0.46854%0.538SS..  trans-56.7139.4-178.8-28.335.6000114.1W696 F697 L698P694-W696 HydrophobicContact CB-CG 4.44Å; P694-W696 PolarHBondContact O-N 2.75Å; P694-W696 VanDerWaalsContact O-N 3.11Å; P694-F697 WeakPolarHBondContact O-CB 3.49Å; P694-F697 PolarHBondContact O-N 2.72Å; P694-L698 PolarHBondContact O-N 3.2Å
695E80.3Confident75.3Confident158 Ų158110.6 Ų110.674%0.73854%0.535SS*.Hα-helixtrans-54.5-37-177-71.1-157.7124.700113.4F697 L698 D699E695-F697 VanDerWaalsContact C-N 3.26Å; E695-F697 PolarHBondContact O-N 3.31Å; E695-L698 CarbonylContact O-C 3.48Å; E695-L698 PolarHBondContact O-N 2.97Å; E695-D699 VanDerWaalsContact O-CB 3.27Å; E695-D699 WeakPolarHBondContact O-CB 3.49Å; E695-D699 PolarHBondContact O-N 2.61Å
696W86.9Confident75.4Confident186 Ų186115.8 Ų115.871%0.70555%0.549SS*.Hα-helixtrans-61.7-34.117970.4-100.2000112.6P694 D699 D700P694-W696 HydrophobicContact CB-CG 4.44Å; P694-W696 PolarHBondContact O-N 2.75Å; P694-W696 VanDerWaalsContact O-N 3.11Å; W696-D699 PolarHBondContact O-N 2.9Å; W696-D700 PolarHBondContact O-N 3.19Å; W696-D700 VanDerWaalsContact O-N 3.09Å
697F83.4Confident75.6Confident87 Ų87113.2 Ų113.238%0.38253%0.529SS..Hα-helixtrans-75.1-44.7176.8179.2-86.6000110V693 P694 E695 D699 D700 E701V693-F697 HydrophobicContact CG1-CB 4.22Å; V693-F697 HydrophobicContact CG1-CD1 3.35Å; V693-F697 HydrophobicContact CG1-CE1 4.04Å; V693-F697 HydrophobicContact CG1-CG 4.11Å; P694-F697 WeakPolarHBondContact O-CB 3.49Å; P694-F697 PolarHBondContact O-N 2.72Å; E695-F697 VanDerWaalsContact C-N 3.26Å; E695-F697 PolarHBondContact O-N 3.31Å; F697-D699 PolarHBondContact O-N 3.12Å; F697-D700 PolarHBondContact O-N 2.76Å; F697-D700 VanDerWaalsContact O-N 3.09Å; F697-E701 HydrophobicContact CD1-CG 3.81Å; F697-E701 VanDerWaalsContact CE1-CD 3.45Å; F697-E701 HydrophobicContact CE1-CG 3.47Å; F697-E701 VanDerWaalsContact CE1-CG 3.47Å; F697-E701 HydrophobicContact CZ-CG 3.98Å; F697-E701 WeakPolarHBondContact O-CB 3.12Å; F697-E701 WeakPolarHBondContact O-CG 3.46Å; F697-E701 PolarHBondContact O-N 2.92Å
698L81.9Confident76Confident46 Ų46115.3 Ų115.324%0.24154%0.541CS..Hα-helixtrans-58-32.7171.9-63.4177.8000111.6P690 V693 P694 E695 R702P690-L698 HydrophobicContact CB-CD1 4.44Å; V693-L698 HydrophobicContact CB-CD2 4.02Å; V693-L698 HydrophobicContact CB-CG 4.22Å; V693-L698 HydrophobicContact CG1-CD2 3.73Å; V693-L698 HydrophobicContact CG1-CG 3.91Å; P694-L698 PolarHBondContact O-N 3.2Å; E695-L698 CarbonylContact O-C 3.48Å; E695-L698 PolarHBondContact O-N 2.97Å; L698-R702 VanDerWaalsContact O-CB 3.28Å; L698-R702 WeakPolarHBondContact O-CB 3.37Å; L698-R702 WeakPolarHBondContact O-CG 3.45Å; L698-R702 PolarHBondContact O-N 2.77Å
699D81.9Confident76.9Confident62 Ų62111 Ų11133%0.33252%0.52SS..Hα-helixtrans-73.9-33.5177.4-14451.9000113E695 W696 F697 R702 K703E695-D699 VanDerWaalsContact O-CB 3.27Å; E695-D699 WeakPolarHBondContact O-CB 3.49Å; E695-D699 PolarHBondContact O-N 2.61Å; W696-D699 PolarHBondContact O-N 2.9Å; F697-D699 PolarHBondContact O-N 3.12Å; D699-R702 IonicContact OD1-CZ 3.73Å; D699-R702 IonicContact OD1-NE 3.5Å; D699-R702 PolarHBondContact OD1-NE 3.44Å; D699-R702 IonicContact OD1-NH2 3.87Å; D699-R702 PolarHBondContact OD1-NH2 3.33Å; D699-K703 VanDerWaalsContact O-CD 3.29Å; D699-K703 WeakPolarHBondContact O-CD 3.42Å; D699-K703 WeakPolarHBondContact O-CE 3.43Å; D699-K703 VanDerWaalsContact O-CG 3.25Å; D699-K703 WeakPolarHBondContact O-CG 3.38Å; D699-K703 PolarHBondContact O-N 3.24Å; D699-K703 PolarHBondContact O-NZ 2.96Å; D699-K703 WeakPolarHBondContact OD2-CE 3.48Å; D699-K703 IonicContact OD2-NZ 3.67Å; D699-K703 PolarHBondContact OD2-NZ 2.62Å
700D85.3Confident77.9Confident75 Ų75105.9 Ų105.940%0.40150%0.501SS..Hα-helixtrans-75.7-40.9173.2-151.560.6000112.1W696 F697 R702 K703 H704W696-D700 PolarHBondContact O-N 3.19Å; W696-D700 VanDerWaalsContact O-N 3.09Å; F697-D700 PolarHBondContact O-N 2.76Å; F697-D700 VanDerWaalsContact O-N 3.09Å; D700-R702 VanDerWaalsContact C-N 3.33Å; D700-R702 PolarHBondContact O-N 2.68Å; D700-K703 WeakPolarHBondContact O-CA 3.15Å; D700-K703 WeakPolarHBondContact O-CB 3.45Å; D700-K703 PolarHBondContact O-N 3.27Å; D700-H704 PolarHBondContact O-CD2 2.84Å; D700-H704 PolarHBondContact O-N 3.44Å; D700-H704 IonicContact OD1-CD2 2.57Å; D700-H704 IonicContact OD1-NE2 2.73Å; D700-H704 IonicContact OD2-CD2 2.71Å; D700-H704 PolarHBondContact OD2-CD2 3.02Å
701E83.4Confident78.9Confident51 Ų51102 Ų10224%0.23848%0.475CS..Hα-helixtrans-56.3-45.8167.3-72-131.8128.300111.4F697 K703 H704 R705F697-E701 HydrophobicContact CD1-CG 3.81Å; F697-E701 VanDerWaalsContact CE1-CD 3.45Å; F697-E701 HydrophobicContact CE1-CG 3.47Å; F697-E701 VanDerWaalsContact CE1-CG 3.47Å; F697-E701 HydrophobicContact CZ-CG 3.98Å; F697-E701 WeakPolarHBondContact O-CB 3.12Å; F697-E701 WeakPolarHBondContact O-CG 3.46Å; F697-E701 PolarHBondContact O-N 2.92Å; E701-K703 PolarHBondContact O-N 2.8Å; E701-H704 PolarHBondContact O-N 2.81Å; E701-R705 WeakPolarHBondContact O-CB 3.26Å; E701-R705 PolarHBondContact O-N 3.02Å; E701-R705 WeakPolarHBondContact OE1-CD 3.37Å; E701-R705 IonicContact OE1-CZ 3.33Å; E701-R705 IonicContact OE1-NE 3.64Å; E701-R705 IonicContact OE1-NH1 2.82Å; E701-R705 PolarHBondContact OE1-NH1 3.13Å; E701-R705 WeakPolarHBondContact OE2-CD 3.25Å; E701-R705 IonicContact OE2-CZ 3.45Å; E701-R705 IonicContact OE2-NE 2.78Å; E701-R705 IonicContact OE2-NH1 3.62Å; E701-R705 PolarHBondContact OE2-NH1 2.62Å
702R81.8Confident80.1Confident160 Ų16094.5 Ų94.560%0.60445%0.454SS*.Hα-helixtrans-62.4-22.5174.2-79.2-172.3-58.5-154.53.6113.2L698 D699 D700 K706L698-R702 VanDerWaalsContact O-CB 3.28Å; L698-R702 WeakPolarHBondContact O-CB 3.37Å; L698-R702 WeakPolarHBondContact O-CG 3.45Å; L698-R702 PolarHBondContact O-N 2.77Å; D699-R702 IonicContact OD1-CZ 3.73Å; D699-R702 IonicContact OD1-NE 3.5Å; D699-R702 PolarHBondContact OD1-NE 3.44Å; D699-R702 IonicContact OD1-NH2 3.87Å; D699-R702 PolarHBondContact OD1-NH2 3.33Å; D700-R702 VanDerWaalsContact C-N 3.33Å; D700-R702 PolarHBondContact O-N 2.68Å; R702-K706 WeakPolarHBondContact O-CE 3.5Å
703K83.1Confident81Confident101 Ų10194.6 Ų94.644%0.43945%0.452SS..Hα-helixtrans-81.4-44.3172.7-69.2156.5-156.8140.40111.4D699 D700 E701 K706D699-K703 VanDerWaalsContact O-CD 3.29Å; D699-K703 WeakPolarHBondContact O-CD 3.42Å; D699-K703 WeakPolarHBondContact O-CE 3.43Å; D699-K703 VanDerWaalsContact O-CG 3.25Å; D699-K703 WeakPolarHBondContact O-CG 3.38Å; D699-K703 PolarHBondContact O-N 3.24Å; D699-K703 PolarHBondContact O-NZ 2.96Å; D699-K703 WeakPolarHBondContact OD2-CE 3.48Å; D699-K703 IonicContact OD2-NZ 3.67Å; D699-K703 PolarHBondContact OD2-NZ 2.62Å; D700-K703 WeakPolarHBondContact O-CA 3.15Å; D700-K703 WeakPolarHBondContact O-CB 3.45Å; D700-K703 PolarHBondContact O-N 3.27Å; E701-K703 PolarHBondContact O-N 2.8Å; K703-K706 WeakPolarHBondContact O-CD 3.26Å; K703-K706 WeakPolarHBondContact O-CE 3.34Å
704H81.8Confident81.6Confident142 Ų14299.2 Ų99.266%0.65747%0.47SS*.Hα-helixtrans-100-31.5-166.8-70.5-72.9000115.6D700 E701 K706D700-H704 PolarHBondContact O-CD2 2.84Å; D700-H704 PolarHBondContact O-N 3.44Å; D700-H704 IonicContact OD1-CD2 2.57Å; D700-H704 IonicContact OD1-NE2 2.73Å; D700-H704 IonicContact OD2-CD2 2.71Å; D700-H704 PolarHBondContact OD2-CD2 3.02Å; E701-H704 PolarHBondContact O-N 2.81Å; H704-K706 PolarHBondContact O-N 3.05Å
705R80.6Confident81.6Confident67 Ų6798.1 Ų98.125%0.25346%0.459SS..  trans-80.935.6177-70171.456.9164.1-9.2113.3F684 S687 E701 R707F684-R705 HydrophobicContact CD1-CG 3.99Å; F684-R705 HydrophobicContact CD2-CB 4.1Å; F684-R705 HydrophobicContact CD2-CG 4.33Å; F684-R705 HydrophobicContact CE1-CG 3.95Å; F684-R705 HydrophobicContact CE2-CB 4.3Å; F684-R705 HydrophobicContact CE2-CG 4.3Å; F684-R705 HydrophobicContact CG-CB 4.24Å; F684-R705 HydrophobicContact CG-CG 4.18Å; F684-R705 HydrophobicContact CZ-CG 4.11Å; F684-R705 PolarHBondContact O-NH2 2.86Å; S687-R705 VanDerWaalsContact CB-NH2 3.31Å; S687-R705 PolarHBondContact OG-NH2 3.34Å; E701-R705 WeakPolarHBondContact O-CB 3.26Å; E701-R705 PolarHBondContact O-N 3.02Å; E701-R705 WeakPolarHBondContact OE1-CD 3.37Å; E701-R705 IonicContact OE1-CZ 3.33Å; E701-R705 IonicContact OE1-NE 3.64Å; E701-R705 IonicContact OE1-NH1 2.82Å; E701-R705 PolarHBondContact OE1-NH1 3.13Å; E701-R705 WeakPolarHBondContact OE2-CD 3.25Å; E701-R705 IonicContact OE2-CZ 3.45Å; E701-R705 IonicContact OE2-NE 2.78Å; E701-R705 IonicContact OE2-NH1 3.62Å; E701-R705 PolarHBondContact OE2-NH1 2.62Å; R705-R707 PolarHBondContact O-N 3.41Å
706K72.4Confident82Confident154 Ų15491.3 Ų91.367%0.6743%0.428SS*.  trans-84105.3179.8-67.2-173.5-175.8-177.30111.7R702 K703 H704R702-K706 WeakPolarHBondContact O-CE 3.5Å; K703-K706 WeakPolarHBondContact O-CD 3.26Å; K703-K706 WeakPolarHBondContact O-CE 3.34Å; H704-K706 PolarHBondContact O-N 3.05Å
707R74.4Confident82.1Confident87 Ų8787.8 Ų87.833%0.32842%0.42SS..PPolyproline II helixtrans-65.4134.9170.3-175.7178.8176.2-115.7-8.3110.5H679 R705 V709H679-R707 PolarHBondContact O-NH1 3.25Å; R705-R707 PolarHBondContact O-N 3.41Å; R707-V709 PolarHBondContact O-N 2.63Å
708P71.4Confident82.4Confident109 Ų10988.3 Ų88.371%0.70842%0.424SS*.PPolyproline II helixtrans-64.2118.7168.626.6-33.5000110.1
709V76.6Confident82.7Confident54 Ų5488.7 Ų88.733%0.32742%0.422SS..PPolyproline II helixtrans-61.8136.4176.4177.10000109.7L662 R707 V711L662-V709 HydrophobicContact CD1-CG1 3.72Å; L662-V709 HydrophobicContact CD2-CG1 3.8Å; L662-V709 HydrophobicContact CG-CG1 3.62Å; R707-V709 PolarHBondContact O-N 2.63Å; V709-V711 HydrophobicContact CG1-CB 3.94Å; V709-V711 HydrophobicContact CG1-CG2 3.76Å; V709-V711 PolarHBondContact O-N 2.84Å
710P80.3Confident83Confident54 Ų5489.7 Ų89.735%0.35142%0.424SS..SBendtrans-74.738.3-177.132.3-38.3000114.3L662 L676L662-P710 HydrophobicContact CD2-CG 4.28Å; L676-P710 HydrophobicContact CD1-CG 3.99Å
711V81.5Confident83.1Confident20 Ų2091.5 Ų91.512%0.12143%0.429CS..SBendtrans-121.1144.3-175.3171.80000109.8A661 L662 E665 V709 M715 V716A661-V711 HydrophobicContact CB-CG1 3.66Å; L662-V711 HydrophobicContact CD2-CG2 3.69Å; L662-V711 HydrophobicContact CG-CG2 3.91Å; E665-V711 HydrophobicContact CG-CG2 4.4Å; V709-V711 HydrophobicContact CG1-CB 3.94Å; V709-V711 HydrophobicContact CG1-CG2 3.76Å; V709-V711 PolarHBondContact O-N 2.84Å; V711-M715 HydrophobicContact CG1-CB 4.35Å; V711-M715 HydrophobicContact CG1-CE 4.02Å; V711-V716 HydrophobicContact CG1-CG2 3.83Å
712T86.9Confident83.1Confident72 Ų7293 Ų9344%0.44244%0.435SS..  trans-69140.1177.867.30000111.8E714 M715 V716T712-E714 PolarHBondContact O-N 3.04Å; T712-M715 PolarHBondContact O-N 2.72Å; T712-M715 VanDerWaalsContact O-N 3.15Å; T712-M715 WeakPolarHBondContact OG1-CG 3.4Å; T712-M715 PolarHBondContact OG1-N 3.5Å; T712-V716 PolarHBondContact O-N 3.13Å
713K85.6Confident83Confident174 Ų17490.9 Ų90.976%0.75743%0.427SS*.Hα-helixtrans-57.1-33.5177.2-66.4-177.2179179.90112.1V716 E717K713-V716 PolarHBondContact O-N 2.95Å; K713-E717 WeakPolarHBondContact O-CB 3.19Å; K713-E717 WeakPolarHBondContact O-CG 3.39Å; K713-E717 PolarHBondContact O-N 3.17Å
714E88.1Confident82.8Confident153 Ų15393 Ų9372%0.71544%0.437SS*.Hα-helixtrans-59.9-46.7176.9-60.9179.815800112.3T712 E717 E718T712-E714 PolarHBondContact O-N 3.04Å; E714-E717 PolarHBondContact O-N 3.36Å; E714-E718 PolarHBondContact O-N 2.92Å
715M85.9Confident82.8Confident49 Ų4992.8 Ų92.824%0.24144%0.436CS..Hα-helixtrans-67.3-38.4176.8-69.5-157.5-53.400112E665 V711 T712 E717 E718 Y719E665-M715 HydrophobicContact CG-CE 3.84Å; E665-M715 WeakPolarHBondContact OE1-CE 3.42Å; V711-M715 HydrophobicContact CG1-CB 4.35Å; V711-M715 HydrophobicContact CG1-CE 4.02Å; T712-M715 PolarHBondContact O-N 2.72Å; T712-M715 VanDerWaalsContact O-N 3.15Å; T712-M715 WeakPolarHBondContact OG1-CG 3.4Å; T712-M715 PolarHBondContact OG1-N 3.5Å; M715-E717 VanDerWaalsContact C-N 3.3Å; M715-E717 PolarHBondContact O-N 2.85Å; M715-E718 WeakPolarHBondContact O-CB 3.39Å; M715-E718 PolarHBondContact O-N 2.86Å; M715-Y719 WeakPolarHBondContact O-CD2 3.44Å; M715-Y719 PolarHBondContact O-N 3.04Å
716V89Confident82.4Confident14 Ų1495.6 Ų95.69%0.08545%0.454CS..Hα-helixtrans-60.9-41.6173.5173.20000111.1E658 A661 V711 T712 K713 Y719 K720E658-V716 HydrophobicContact CG-CB 4.25Å; E658-V716 HydrophobicContact CG-CG1 3.48Å; E658-V716 VanDerWaalsContact CG-CG1 3.48Å; E658-V716 HydrophobicContact CG-CG2 3.69Å; A661-V716 HydrophobicContact CB-CG2 4.34Å; V711-V716 HydrophobicContact CG1-CG2 3.83Å; T712-V716 PolarHBondContact O-N 3.13Å; K713-V716 PolarHBondContact O-N 2.95Å; V716-Y719 PolarHBondContact O-N 3.18Å; V716-K720 HydrophobicContact CG1-CD 3.89Å; V716-K720 VanDerWaalsContact CG1-CE 3.42Å; V716-K720 VanDerWaalsContact CG1-NZ 3.34Å; V716-K720 WeakPolarHBondContact O-CB 3.27Å; V716-K720 VanDerWaalsContact O-CG 3.29Å; V716-K720 WeakPolarHBondContact O-CG 3.33Å; V716-K720 PolarHBondContact O-N 3.43Å
717E89.4Confident82.2Confident112 Ų11293.4 Ų93.452%0.52345%0.45SS..Hα-helixtrans-67.2-38.1174.9-77.4-175.7-148.600112.5K713 E714 M715 Y719 K720 Q721K713-E717 WeakPolarHBondContact O-CB 3.19Å; K713-E717 WeakPolarHBondContact O-CG 3.39Å; K713-E717 PolarHBondContact O-N 3.17Å; E714-E717 PolarHBondContact O-N 3.36Å; M715-E717 VanDerWaalsContact C-N 3.3Å; M715-E717 PolarHBondContact O-N 2.85Å; E717-Y719 PolarHBondContact O-N 3.23Å; E717-K720 CarbonylContact O-C 3.44Å; E717-K720 PolarHBondContact O-N 2.91Å; E717-Q721 WeakPolarHBondContact O-CB 3.33Å; E717-Q721 VanDerWaalsContact O-CG 3.23Å; E717-Q721 WeakPolarHBondContact O-CG 3.49Å; E717-Q721 PolarHBondContact O-N 3.06Å
718E89.6Confident82Confident99 Ų9991.9 Ų91.946%0.46346%0.456SS..Hα-helixtrans-57.5-47.2171.2-81.7-164.9-155.900112E714 M715 Q721 K722E714-E718 PolarHBondContact O-N 2.92Å; M715-E718 WeakPolarHBondContact O-CB 3.39Å; M715-E718 PolarHBondContact O-N 2.86Å; E718-Q721 WeakPolarHBondContact O-CB 3.4Å; E718-Q721 PolarHBondContact O-N 2.98Å; E718-K722 WeakPolarHBondContact O-CD 3.33Å; E718-K722 VanDerWaalsContact O-CG 3.24Å; E718-K722 WeakPolarHBondContact O-CG 3.43Å; E718-K722 PolarHBondContact O-N 3.2Å; E718-K722 WeakPolarHBondContact OE2-CE 3.44Å; E718-K722 IonicContact OE2-NZ 2.81Å; E718-K722 PolarHBondContact OE2-NZ 2.97Å
719Y87.8Confident81.9Confident53 Ų5396.2 Ų96.221%0.20846%0.459CS..Hα-helixtrans-67.4-39.4178-75.7-73.4000111.7L660 A661 M715 V716 E717 Q721 K722 W723L660-Y719 HydrophobicContact CB-CD1 4.32Å; L660-Y719 HydrophobicContact CB-CG 4.47Å; A661-Y719 HydrophobicContact CB-CD2 3.85Å; A661-Y719 HydrophobicContact CB-CE2 4.1Å; M715-Y719 WeakPolarHBondContact O-CD2 3.44Å; M715-Y719 PolarHBondContact O-N 3.04Å; V716-Y719 PolarHBondContact O-N 3.18Å; E717-Y719 PolarHBondContact O-N 3.23Å; Y719-Q721 PolarHBondContact O-N 2.59Å; Y719-K722 HydrophobicContact CD1-CD 4.07Å; Y719-K722 HydrophobicContact CE1-CD 4.32Å; Y719-K722 PolarHBondContact O-N 3.06Å; Y719-W723 PolarHBondContact O-N 2.9Å
720K88.4Confident82.1Confident84 Ų8496.4 Ų96.437%0.36546%0.461SS..Hα-helixtrans-63.4-28.5172-70.5172.9-175.9171.60112.3A657 E658 V716 E717 K724A657-K720 HydrophobicContact CB-CD 4.4Å; A657-K720 HydrophobicContact CB-CG 3.5Å; E658-K720 IonicContact OE1-NZ 2.73Å; E658-K720 PolarHBondContact OE1-NZ 3.41Å; V716-K720 HydrophobicContact CG1-CD 3.89Å; V716-K720 VanDerWaalsContact CG1-CE 3.42Å; V716-K720 VanDerWaalsContact CG1-NZ 3.34Å; V716-K720 WeakPolarHBondContact O-CB 3.27Å; V716-K720 VanDerWaalsContact O-CG 3.29Å; V716-K720 WeakPolarHBondContact O-CG 3.33Å; V716-K720 PolarHBondContact O-N 3.43Å; E717-K720 CarbonylContact O-C 3.44Å; E717-K720 PolarHBondContact O-N 2.91Å; K720-K724 WeakPolarHBondContact O-CD 3.13Å; K720-K724 WeakPolarHBondContact O-CG 3.48Å; K720-K724 PolarHBondContact O-N 2.99Å
721Q86.9Confident81.9Confident112 Ų11299.3 Ų99.352%0.52347%0.472SS..Hα-helixtrans-75.7-48172.5-74.3174.549.500111.6E717 E718 Y719 W723 K724 E725E717-Q721 WeakPolarHBondContact O-CB 3.33Å; E717-Q721 VanDerWaalsContact O-CG 3.23Å; E717-Q721 WeakPolarHBondContact O-CG 3.49Å; E717-Q721 PolarHBondContact O-N 3.06Å; E718-Q721 WeakPolarHBondContact O-CB 3.4Å; E718-Q721 PolarHBondContact O-N 2.98Å; Y719-Q721 PolarHBondContact O-N 2.59Å; Q721-W723 VanDerWaalsContact C-N 3.33Å; Q721-W723 PolarHBondContact O-N 3.14Å; Q721-K724 CarbonylContact O-C 3.57Å; Q721-K724 WeakPolarHBondContact O-CA 3.48Å; Q721-K724 WeakPolarHBondContact O-CB 3.32Å; Q721-K724 PolarHBondContact O-N 2.78Å; Q721-E725 WeakPolarHBondContact O-CG 3.29Å; Q721-E725 PolarHBondContact O-N 2.93Å
722K83.7Confident81.9Confident82 Ų82104.1 Ų104.136%0.35749%0.492SS..Hα-helixtrans-54.5-45.8176.9-69.4158.8-167.5164.90111.6E718 Y719 K724 E725 I726E718-K722 WeakPolarHBondContact O-CD 3.33Å; E718-K722 VanDerWaalsContact O-CG 3.24Å; E718-K722 WeakPolarHBondContact O-CG 3.43Å; E718-K722 PolarHBondContact O-N 3.2Å; E718-K722 WeakPolarHBondContact OE2-CE 3.44Å; E718-K722 IonicContact OE2-NZ 2.81Å; E718-K722 PolarHBondContact OE2-NZ 2.97Å; Y719-K722 HydrophobicContact CD1-CD 4.07Å; Y719-K722 HydrophobicContact CE1-CD 4.32Å; Y719-K722 PolarHBondContact O-N 3.06Å; K722-K724 PolarHBondContact O-N 2.84Å; K722-E725 PolarHBondContact O-N 3.09Å; K722-I726 WeakPolarHBondContact O-CG1 3.39Å; K722-I726 PolarHBondContact O-N 3.2Å
723W78.6Confident81.6Confident116 Ų116108.4 Ų108.444%0.43950%0.5SS..Hα-helixtrans-61.3-39.5172.5-87.786.6000113.4I654 L660 Y719 Q721 N727I654-W723 HydrophobicContact CG2-CH2 4.04Å; I654-W723 HydrophobicContact CG2-CZ2 4.33Å; L660-W723 HydrophobicContact CD1-CZ2 4.36Å; Y719-W723 PolarHBondContact O-N 2.9Å; Q721-W723 VanDerWaalsContact C-N 3.33Å; Q721-W723 PolarHBondContact O-N 3.14Å; W723-N727 PolarHBondContact O-N 3.17Å; W723-N727 PolarHBondContact O-ND2 2.91Å
724K80.2Confident81.6Confident147 Ų147103.2 Ų103.264%0.63948%0.482SS*.Hα-helixtrans-68.7-35.7175.4-76170.3-175.5176.40112.4K720 Q721 K722 N727 A728K720-K724 WeakPolarHBondContact O-CD 3.13Å; K720-K724 WeakPolarHBondContact O-CG 3.48Å; K720-K724 PolarHBondContact O-N 2.99Å; Q721-K724 CarbonylContact O-C 3.57Å; Q721-K724 WeakPolarHBondContact O-CA 3.48Å; Q721-K724 WeakPolarHBondContact O-CB 3.32Å; Q721-K724 PolarHBondContact O-N 2.78Å; K722-K724 PolarHBondContact O-N 2.84Å; K724-N727 CarbonylContact O-C 3.53Å; K724-N727 PolarHBondContact O-N 2.97Å; K724-A728 WeakPolarHBondContact O-CB 3.37Å; K724-A728 PolarHBondContact O-N 3.04Å
725E80.6Confident81.1Confident136 Ų13697.1 Ų97.164%0.63646%0.458SS*.Hα-helixtrans-66.9-43.2179-71.4-163.7135.800112.3Q721 K722 N727 A728Q721-E725 WeakPolarHBondContact O-CG 3.29Å; Q721-E725 PolarHBondContact O-N 2.93Å; K722-E725 PolarHBondContact O-N 3.09Å; E725-N727 VanDerWaalsContact C-N 3.34Å; E725-N727 PolarHBondContact O-N 3.42Å; E725-A728 PolarHBondContact O-N 2.84Å
726I72.9Confident81Confident126 Ų12698.8 Ų98.865%0.64647%0.466SS*.Hα-helixtrans-54.8-51.3172-66.4164.4000109.8K722 A728K722-I726 WeakPolarHBondContact O-CG1 3.39Å; K722-I726 PolarHBondContact O-N 3.2Å; I726-A728 VanDerWaalsContact C-N 3.32Å; I726-A728 PolarHBondContact O-N 2.91Å
727N68Low80.7Confident108 Ų108100 Ų10058%0.57848%0.477SS*.Hα-helixtrans-75.7-13-178.8-71.7-30.8000114.7W723 K724 E725 P730W723-N727 PolarHBondContact O-N 3.17Å; W723-N727 PolarHBondContact O-ND2 2.91Å; K724-N727 CarbonylContact O-C 3.53Å; K724-N727 PolarHBondContact O-N 2.97Å; E725-N727 VanDerWaalsContact C-N 3.34Å; E725-N727 PolarHBondContact O-N 3.42Å; N727-P730 WeakPolarHBondContact O-CD 3.33Å
728A70.3Confident80.4Confident56 Ų5699.6 Ų99.646%0.46347%0.474SS..Hα-helixtrans-80.5-23.6-178.700000113.7K724 E725 I726K724-A728 WeakPolarHBondContact O-CB 3.37Å; K724-A728 PolarHBondContact O-N 3.04Å; E725-A728 PolarHBondContact O-N 2.84Å; I726-A728 VanDerWaalsContact C-N 3.32Å; I726-A728 PolarHBondContact O-N 2.91Å
729R69.8Low80.1Confident200 Ų20097.6 Ų97.676%0.75547%0.474SS*.  trans-123.144.4-173.1-58.4-171.1-176.2-177.47.5115.6
730P81.8Confident79.9Confident58 Ų58101.2 Ų101.238%0.37749%0.487SS..  trans-61.2142.8173.428.8-35000110.4N727 K732 R733 V734N727-P730 WeakPolarHBondContact O-CD 3.33Å; P730-K732 PolarHBondContact O-N 3.5Å; P730-R733 HydrophobicContact CG-CB 4.09Å; P730-R733 HydrophobicContact CG-CG 3.96Å; P730-R733 PolarHBondContact O-N 3.06Å; P730-V734 PolarHBondContact O-N 3.4Å
731I76.1Confident79.8Confident114 Ų114104.5 Ų104.559%0.58550%0.501SS*.Hα-helixtrans-49.2-40.4-176.1-61.5169.7000111.3R733 V734 A735I731-R733 PolarHBondContact O-N 3.44Å; I731-V734 PolarHBondContact O-N 3.48Å; I731-A735 WeakPolarHBondContact O-CB 3.41Å; I731-A735 PolarHBondContact O-N 2.6Å
732K80.4Confident79.7Confident122 Ų122106.2 Ų106.253%0.5351%0.507SS..Hα-helixtrans-52-48.7174.2-172.6167.5178.5168.90113W534 P730 E736W534-K732 HydrophobicContact CZ2-CD 4Å; P730-K732 PolarHBondContact O-N 3.5Å; K732-E736 WeakPolarHBondContact O-CB 3.45Å; K732-E736 PolarHBondContact O-N 3.1Å
733R81.1Confident79.6Confident161 Ų161112.2 Ų112.261%0.60853%0.527SS*.Hα-helixtrans-71.2-33.2178.8-75.5-176173.9-175.2-0.9112.4P730 I731 A737P730-R733 HydrophobicContact CG-CB 4.09Å; P730-R733 HydrophobicContact CG-CG 3.96Å; P730-R733 PolarHBondContact O-N 3.06Å; I731-R733 PolarHBondContact O-N 3.44Å; R733-A737 VanDerWaalsContact O-CB 3.25Å; R733-A737 WeakPolarHBondContact O-CB 3.47Å; R733-A737 PolarHBondContact O-N 3.31Å
734V84.1Confident80Confident65 Ų65115.5 Ų115.539%0.39454%0.54SS..Hα-helixtrans-68.7-47.4176.2-179.60000111P730 I731 A737 K738P730-V734 PolarHBondContact O-N 3.4Å; I731-V734 PolarHBondContact O-N 3.48Å; V734-A737 PolarHBondContact O-N 3.17Å; V734-K738 PolarHBondContact O-N 2.96Å
735A77.9Confident80.1Confident25 Ų25113.1 Ų113.121%0.20753%0.532CS..Hα-helixtrans-60.7-46.4175.300000111.4F540 I731 A737 K738 A739F540-A735 HydrophobicContact CE1-CB 4.37Å; I731-A735 WeakPolarHBondContact O-CB 3.41Å; I731-A735 PolarHBondContact O-N 2.6Å; A735-A737 VanDerWaalsContact C-N 3.32Å; A735-A737 PolarHBondContact O-N 3.18Å; A735-K738 PolarHBondContact O-N 2.64Å; A735-A739 WeakPolarHBondContact O-CB 3.2Å; A735-A739 PolarHBondContact O-N 3.26Å
736E85Confident80.2Confident85 Ų85111.6 Ų111.640%0.39753%0.528SS..Hα-helixtrans-62.3-36.7176.5-165.4-165.4-154.800112.2K732 A739 R740K732-E736 WeakPolarHBondContact O-CB 3.45Å; K732-E736 PolarHBondContact O-N 3.1Å; E736-A739 PolarHBondContact O-N 3.01Å; E736-R740 WeakPolarHBondContact O-CB 3.27Å; E736-R740 WeakPolarHBondContact O-CG 3.35Å; E736-R740 PolarHBondContact O-N 3.37Å; E736-R740 IonicContact OE1-CZ 3.1Å; E736-R740 VanDerWaalsContact OE1-CZ 3.31Å; E736-R740 IonicContact OE1-NH1 3.37Å; E736-R740 PolarHBondContact OE1-NH1 2.93Å; E736-R740 IonicContact OE1-NH2 2.73Å; E736-R740 PolarHBondContact OE1-NH2 3.08Å; E736-R740 IonicContact OE2-CZ 3.48Å; E736-R740 IonicContact OE2-NH1 3.34Å; E736-R740 PolarHBondContact OE2-NH1 2.87Å; E736-R740 IonicContact OE2-NH2 2.64Å; E736-R740 PolarHBondContact OE2-NH2 3.43Å
737A81.4Confident81Confident40 Ų40111.8 Ų111.833%0.33152%0.524SS..Hα-helixtrans-69.3-39.9173.300000113R733 V734 A735 K741R733-A737 VanDerWaalsContact O-CB 3.25Å; R733-A737 WeakPolarHBondContact O-CB 3.47Å; R733-A737 PolarHBondContact O-N 3.31Å; V734-A737 PolarHBondContact O-N 3.17Å; A735-A737 VanDerWaalsContact C-N 3.32Å; A735-A737 PolarHBondContact O-N 3.18Å; A737-K741 WeakPolarHBondContact O-CG 3.27Å; A737-K741 PolarHBondContact O-N 3.46Å; A737-K741 VanDerWaalsContact O-N 3.14Å
738K84.3Confident81.9Confident103 Ų103112.4 Ų112.445%0.44852%0.521SS..Hα-helixtrans-60.2-45.2170.2-75.2-175.8178.7178.10109.9D548 V734 A735 K741 K742D548-K738 IonicContact OD2-NZ 3.31Å; D548-K738 PolarHBondContact OD2-NZ 3.01Å; V734-K738 PolarHBondContact O-N 2.96Å; A735-K738 PolarHBondContact O-N 2.64Å; K738-K741 PolarHBondContact O-N 2.95Å; K738-K742 PolarHBondContact O-N 2.9Å
739A83.3Confident82.5Confident56 Ų56113.2 Ų113.246%0.46352%0.517SS..Hα-helixtrans-64.4-47.1178.300000113.4A735 E736 K741 K742 R743A735-A739 WeakPolarHBondContact O-CB 3.2Å; A735-A739 PolarHBondContact O-N 3.26Å; E736-A739 PolarHBondContact O-N 3.01Å; A739-K741 VanDerWaalsContact C-N 3.28Å; A739-K741 PolarHBondContact O-N 3.34Å; A739-K742 PolarHBondContact O-N 3.05Å; A739-K742 VanDerWaalsContact O-N 3.13Å; A739-R743 PolarHBondContact O-N 3.37Å
740R83.9Confident83.4Confident129 Ų129108 Ų10849%0.48750%0.501SS..Hα-helixtrans-58.1-38.8174.5-76.7-174.3-177.9107.44.3111.8E736 R744E736-R740 WeakPolarHBondContact O-CB 3.27Å; E736-R740 WeakPolarHBondContact O-CG 3.35Å; E736-R740 PolarHBondContact O-N 3.37Å; E736-R740 IonicContact OE1-CZ 3.1Å; E736-R740 VanDerWaalsContact OE1-CZ 3.31Å; E736-R740 IonicContact OE1-NH1 3.37Å; E736-R740 PolarHBondContact OE1-NH1 2.93Å; E736-R740 IonicContact OE1-NH2 2.73Å; E736-R740 PolarHBondContact OE1-NH2 3.08Å; E736-R740 IonicContact OE2-CZ 3.48Å; E736-R740 IonicContact OE2-NH1 3.34Å; E736-R740 PolarHBondContact OE2-NH1 2.87Å; E736-R740 IonicContact OE2-NH2 2.64Å; E736-R740 PolarHBondContact OE2-NH2 3.43Å; R740-R744 WeakPolarHBondContact O-CB 3.22Å; R740-R744 VanDerWaalsContact O-CG 3.26Å; R740-R744 WeakPolarHBondContact O-CG 3.44Å; R740-R744 PolarHBondContact O-N 3.16Å; R740-R744 VanDerWaalsContact O-N 3.08Å
741K85.6Confident83.8Confident153 Ų153110.1 Ų110.167%0.66551%0.505SS*.Hα-helixtrans-65.5-46.2173.7-73.3170.9-179.51740111.6A737 K738 A739 R744 M745A737-K741 WeakPolarHBondContact O-CG 3.27Å; A737-K741 PolarHBondContact O-N 3.46Å; A737-K741 VanDerWaalsContact O-N 3.14Å; K738-K741 PolarHBondContact O-N 2.95Å; A739-K741 VanDerWaalsContact C-N 3.28Å; A739-K741 PolarHBondContact O-N 3.34Å; K741-R744 PolarHBondContact O-N 3.28Å; K741-M745 PolarHBondContact O-N 3.05Å
742K84.5Confident84.4Confident149 Ų149104.9 Ų104.965%0.64848%0.48SS*.Hα-helixtrans-58.5-49.7176.1-168.2176.8179.5-178.20111.7K738 A739 R744 M745 L746K738-K742 PolarHBondContact O-N 2.9Å; A739-K742 PolarHBondContact O-N 3.05Å; A739-K742 VanDerWaalsContact O-N 3.13Å; K742-R744 PolarHBondContact O-N 2.8Å; K742-M745 PolarHBondContact O-N 3.28Å; K742-M745 VanDerWaalsContact O-N 3.16Å; K742-L746 HydrophobicContact CG-CD1 4.2Å; K742-L746 WeakPolarHBondContact O-CG 3.12Å; K742-L746 PolarHBondContact O-N 3.26Å
743R82.8Confident84.8Confident207 Ų207104.5 Ų104.578%0.78148%0.478SS*.Hα-helixtrans-59.7-41.5177.1-168.3176.3-176.9-171.31.2112.5A739 L746 K747A739-R743 PolarHBondContact O-N 3.37Å; R743-L746 PolarHBondContact O-N 3.12Å; R743-K747 PolarHBondContact O-N 2.78Å
744R87Confident85.3Confident186 Ų186102.9 Ų102.970%0.70248%0.475SS*.Hα-helixtrans-66.5-33.6175.7-75.2174.8178.6-171.60.1113.2R740 K741 K742 K748R740-R744 WeakPolarHBondContact O-CB 3.22Å; R740-R744 VanDerWaalsContact O-CG 3.26Å; R740-R744 WeakPolarHBondContact O-CG 3.44Å; R740-R744 PolarHBondContact O-N 3.16Å; R740-R744 VanDerWaalsContact O-N 3.08Å; K741-R744 PolarHBondContact O-N 3.28Å; K742-R744 PolarHBondContact O-N 2.8Å; R744-K748 WeakPolarHBondContact O-CG 3.44Å; R744-K748 PolarHBondContact O-N 3.38Å
745M82.1Confident85.6Confident97 Ų97106.4 Ų106.448%0.47849%0.485SS..Hα-helixtrans-73-43.3173.3-73.3-60.2-60.900111.9K741 K742 K748 M749K741-M745 PolarHBondContact O-N 3.05Å; K742-M745 PolarHBondContact O-N 3.28Å; K742-M745 VanDerWaalsContact O-N 3.16Å; M745-K748 PolarHBondContact O-N 2.88Å; M745-M749 WeakPolarHBondContact O-CG 3.25Å; M745-M749 PolarHBondContact O-N 3.49Å
746L82.9Confident86.1Confident104 Ų104105.4 Ų105.455%0.54548%0.477SS..Hα-helixtrans-59.9-48177.2-72170.2000111.8K742 R743 K748 M749 E750K742-L746 HydrophobicContact CG-CD1 4.2Å; K742-L746 WeakPolarHBondContact O-CG 3.12Å; K742-L746 PolarHBondContact O-N 3.26Å; R743-L746 PolarHBondContact O-N 3.12Å; L746-K748 PolarHBondContact O-N 2.92Å; L746-M749 PolarHBondContact O-N 3.45Å; L746-E750 WeakPolarHBondContact O-CB 3.39Å; L746-E750 PolarHBondContact O-N 2.64Å
747K89Confident86.4Confident130 Ų130105 Ų10557%0.56548%0.475SS*.Hα-helixtrans-60.1-32.3176.8-169.6166.2-175.51700112.9R743 Q751R743-K747 PolarHBondContact O-N 2.78Å; K747-Q751 WeakPolarHBondContact O-CB 3.32Å; K747-Q751 VanDerWaalsContact O-CG 3.24Å; K747-Q751 WeakPolarHBondContact O-CG 3.41Å; K747-Q751 PolarHBondContact O-N 3.21Å; K747-Q751 VanDerWaalsContact O-N 3.07Å
748K87Confident86.8Confident120 Ų120105.8 Ų105.852%0.52248%0.482SS..Hα-helixtrans-71.7-38.5172.8-75.8-176.5176.3-169.30113R744 M745 L746 A752R744-K748 WeakPolarHBondContact O-CG 3.44Å; R744-K748 PolarHBondContact O-N 3.38Å; M745-K748 PolarHBondContact O-N 2.88Å; L746-K748 PolarHBondContact O-N 2.92Å; K748-A752 WeakPolarHBondContact O-CB 3.45Å; K748-A752 PolarHBondContact O-N 3Å
749M83.1Confident87Confident74 Ų74101.8 Ų101.837%0.36547%0.466SS..Hα-helixtrans-68.2-39.1175.3-72.3-61.9-65.700111.9M745 L746 A752 K753 Y778 V783M745-M749 WeakPolarHBondContact O-CG 3.25Å; M745-M749 PolarHBondContact O-N 3.49Å; L746-M749 PolarHBondContact O-N 3.45Å; M749-A752 CarbonylContact O-C 3.58Å; M749-A752 WeakPolarHBondContact O-CB 3.31Å; M749-A752 PolarHBondContact O-N 3.06Å; M749-K753 WeakPolarHBondContact O-CB 3.4Å; M749-K753 PolarHBondContact O-N 3.05Å; M749-Y778 HydrophobicContact CE-CE1 4.43Å; M749-V783 HydrophobicContact CE-CG2 3.87Å; M749-V783 HydrophobicContact SD-CG2 3.43Å; M749-V783 WeakPolarHBondContact SD-CG2 3.43Å
750E88.3Confident87.3Confident89 Ų89103.1 Ų103.142%0.41647%0.468SS..Hα-helixtrans-64-46.9174.8-169.3-147.8140.400111.5L746 A752 K753 K754L746-E750 WeakPolarHBondContact O-CB 3.39Å; L746-E750 PolarHBondContact O-N 2.64Å; E750-A752 PolarHBondContact O-N 3.39Å; E750-K753 PolarHBondContact O-N 2.9Å; E750-K753 VanDerWaalsContact O-N 3.13Å; E750-K754 PolarHBondContact O-N 3.36Å; E750-K754 WeakPolarHBondContact OE1-CE 3.36Å; E750-K754 IonicContact OE1-NZ 3.41Å; E750-K754 PolarHBondContact OE1-NZ 3.36Å
751Q90.3Very high87.4Confident103 Ų103103 Ų10348%0.48148%0.477SS..Hα-helixtrans-61.4-30.7172.4-75.3176.7-17.500112.8K747 K755K747-Q751 WeakPolarHBondContact O-CB 3.32Å; K747-Q751 VanDerWaalsContact O-CG 3.24Å; K747-Q751 WeakPolarHBondContact O-CG 3.41Å; K747-Q751 PolarHBondContact O-N 3.21Å; K747-Q751 VanDerWaalsContact O-N 3.07Å; Q751-K755 WeakPolarHBondContact O-CB 3.35Å; Q751-K755 VanDerWaalsContact O-CG 3.29Å; Q751-K755 WeakPolarHBondContact O-CG 3.5Å; Q751-K755 PolarHBondContact O-N 3.25Å
752A88.6Confident87.6Confident5 Ų598.5 Ų98.54%0.04146%0.462CS..Hα-helixtrans-74.4-37.3173.200000112.3K748 M749 E750 K755 A756 I777 Y778 A781K748-A752 WeakPolarHBondContact O-CB 3.45Å; K748-A752 PolarHBondContact O-N 3Å; M749-A752 CarbonylContact O-C 3.58Å; M749-A752 WeakPolarHBondContact O-CB 3.31Å; M749-A752 PolarHBondContact O-N 3.06Å; E750-A752 PolarHBondContact O-N 3.39Å; A752-K755 PolarHBondContact O-N 3.36Å; A752-A756 VanDerWaalsContact O-CB 3.29Å; A752-A756 WeakPolarHBondContact O-CB 3.26Å; A752-A756 PolarHBondContact O-N 3.15Å; A752-I777 HydrophobicContact CB-CG2 4.02Å; A752-I777 WeakPolarHBondContact O-CG2 3.3Å; A752-Y778 HydrophobicContact CB-CE1 4.5Å; A752-A781 HydrophobicContact CB-CB 3.58Å
753K88.9Confident87.5Confident114 Ų11495.2 Ų95.250%0.49646%0.463SS..Hα-helixtrans-64.5-50.9175.2-175.1174.9-179.7-76.20110.9M749 E750 K755 A756 E757M749-K753 WeakPolarHBondContact O-CB 3.4Å; M749-K753 PolarHBondContact O-N 3.05Å; E750-K753 PolarHBondContact O-N 2.9Å; E750-K753 VanDerWaalsContact O-N 3.13Å; K753-K755 VanDerWaalsContact C-N 3.28Å; K753-K755 PolarHBondContact O-N 3.46Å; K753-A756 CarbonylContact O-C 3.56Å; K753-A756 WeakPolarHBondContact O-CA 3.35Å; K753-A756 WeakPolarHBondContact O-CB 3.3Å; K753-A756 PolarHBondContact O-N 3.48Å; K753-E757 WeakPolarHBondContact CE-OE1 3.29Å; K753-E757 HydrophobicContact CG-CG 4.48Å; K753-E757 IonicContact NZ-OE1 3.15Å; K753-E757 PolarHBondContact NZ-OE1 3.06Å; K753-E757 IonicContact NZ-OE2 3.94Å; K753-E757 WeakPolarHBondContact O-CG 3.45Å; K753-E757 PolarHBondContact O-N 3.3Å
754K91.9Very high87.6Confident126 Ų12692.8 Ų92.855%0.54847%0.466SS..Hα-helixtrans-57.6-38.3176-73.3174.2170.1170.60112.6E750 E757 A758E750-K754 PolarHBondContact O-N 3.36Å; E750-K754 WeakPolarHBondContact OE1-CE 3.36Å; E750-K754 IonicContact OE1-NZ 3.41Å; E750-K754 PolarHBondContact OE1-NZ 3.36Å; K754-E757 WeakPolarHBondContact CA-OE2 3.45Å; K754-A758 PolarHBondContact O-N 3.02Å
755K91Very high87.5Confident139 Ų13985.9 Ų85.960%0.60444%0.442SS*.Hα-helixtrans-74.6-28.6174.2-71.5-179.1-179.7-169.20113.8Q751 A752 K753 V759 I777Q751-K755 WeakPolarHBondContact O-CB 3.35Å; Q751-K755 VanDerWaalsContact O-CG 3.29Å; Q751-K755 WeakPolarHBondContact O-CG 3.5Å; Q751-K755 PolarHBondContact O-N 3.25Å; A752-K755 PolarHBondContact O-N 3.36Å; K753-K755 VanDerWaalsContact C-N 3.28Å; K753-K755 PolarHBondContact O-N 3.46Å; K755-V759 WeakPolarHBondContact O-CG2 3.43Å; K755-V759 PolarHBondContact O-N 3.2Å; K755-I777 HydrophobicContact CB-CD1 4.23Å; K755-I777 HydrophobicContact CB-CG2 4.2Å; K755-I777 WeakPolarHBondContact O-CD1 2.99Å
756A88.5Confident87.9Confident5 Ų584.7 Ų84.74%0.04144%0.443CS..Hα-helixtrans-70.4-43.2172.600000111.5A752 K753 V759 V760 L774 Y778A752-A756 VanDerWaalsContact O-CB 3.29Å; A752-A756 WeakPolarHBondContact O-CB 3.26Å; A752-A756 PolarHBondContact O-N 3.15Å; K753-A756 CarbonylContact O-C 3.56Å; K753-A756 WeakPolarHBondContact O-CA 3.35Å; K753-A756 WeakPolarHBondContact O-CB 3.3Å; K753-A756 PolarHBondContact O-N 3.48Å; A756-V759 PolarHBondContact O-N 3.16Å; A756-V760 WeakPolarHBondContact O-CG2 3.36Å; A756-V760 PolarHBondContact O-N 3.26Å; A756-L774 HydrophobicContact CB-CD1 3.33Å; A756-Y778 HydrophobicContact CB-CE2 4.39Å
757E90.5Very high88Confident76 Ų7687.6 Ų87.636%0.35545%0.454SS..Hα-helixtrans-62.4-44.8178.6-71.6161.5155.100111.2K753 K754 V759 V760 N761K753-E757 WeakPolarHBondContact CE-OE1 3.29Å; K753-E757 HydrophobicContact CG-CG 4.48Å; K753-E757 IonicContact NZ-OE1 3.15Å; K753-E757 PolarHBondContact NZ-OE1 3.06Å; K753-E757 IonicContact NZ-OE2 3.94Å; K753-E757 WeakPolarHBondContact O-CG 3.45Å; K753-E757 PolarHBondContact O-N 3.3Å; K754-E757 WeakPolarHBondContact CA-OE2 3.45Å; E757-V759 VanDerWaalsContact C-N 3.33Å; E757-V759 PolarHBondContact O-N 3.49Å; E757-V760 PolarHBondContact O-N 3.22Å; E757-V760 VanDerWaalsContact O-N 3.12Å; E757-N761 WeakPolarHBondContact O-CB 3.5Å; E757-N761 PolarHBondContact O-N 3.26Å; E757-N761 PolarHBondContact O-OD1 3.37Å
758A90.2Very high87.9Confident56 Ų5691.8 Ų91.846%0.46347%0.467SS..Hα-helixtrans-54.9-44.5172.700000113.1K754 V760 N761 T762K754-A758 PolarHBondContact O-N 3.02Å; A758-V760 VanDerWaalsContact C-N 3.34Å; A758-V760 PolarHBondContact O-N 3.36Å; A758-N761 PolarHBondContact O-N 3.27Å; A758-T762 PolarHBondContact O-N 2.95Å; A758-T762 VanDerWaalsContact O-N 3.15Å
759V88.3Confident88Confident20 Ų2091.4 Ų91.412%0.12147%0.467CS..Hα-helixtrans-72.2-24.4179167.50000113.2K755 A756 E757 T762 K770 Q773 I777K755-V759 WeakPolarHBondContact O-CG2 3.43Å; K755-V759 PolarHBondContact O-N 3.2Å; A756-V759 PolarHBondContact O-N 3.16Å; E757-V759 VanDerWaalsContact C-N 3.33Å; E757-V759 PolarHBondContact O-N 3.49Å; V759-T762 PolarHBondContact O-OG1 3.04Å; V759-K770 HydrophobicContact CG1-CB 4.33Å; V759-K770 HydrophobicContact CG1-CG 4.47Å; V759-K770 WeakPolarHBondContact O-CD 3.32Å; V759-K770 WeakPolarHBondContact O-CE 3.49Å; V759-K770 WeakPolarHBondContact O-CG 3.43Å; V759-Q773 HydrophobicContact CG1-CB 3.87Å; V759-I777 HydrophobicContact CG2-CD1 3.94Å
760V88.1Confident88.2Confident83 Ų8389.9 Ų89.950%0.50346%0.458SS..Hα-helixtrans-73.4-43.7171.4169.70000110.1A756 E757 A758 K770A756-V760 WeakPolarHBondContact O-CG2 3.36Å; A756-V760 PolarHBondContact O-N 3.26Å; E757-V760 PolarHBondContact O-N 3.22Å; E757-V760 VanDerWaalsContact O-N 3.12Å; A758-V760 VanDerWaalsContact C-N 3.34Å; A758-V760 PolarHBondContact O-N 3.36Å; V760-K770 PolarHBondContact O-NZ 3.48Å
761N87.7Confident88Confident128 Ų12890.2 Ų90.268%0.68446%0.461SS*.Hα-helixtrans-76-26.3-171.9-66.23.7000114.5E757 A758 A763E757-N761 WeakPolarHBondContact O-CB 3.5Å; E757-N761 PolarHBondContact O-N 3.26Å; E757-N761 PolarHBondContact O-OD1 3.37Å; A758-N761 PolarHBondContact O-N 3.27Å; N761-A763 PolarHBondContact O-N 2.85Å; N761-A763 VanDerWaalsContact O-N 3.16Å
762T89Confident87.9Confident57 Ų5788.1 Ų88.135%0.3546%0.461SS..  trans-60.3115.617245.90000110.5A758 V759 D764 I765 K770A758-T762 PolarHBondContact O-N 2.95Å; A758-T762 VanDerWaalsContact O-N 3.15Å; V759-T762 PolarHBondContact O-OG1 3.04Å; T762-D764 PolarHBondContact O-N 3.36Å; T762-I765 WeakPolarHBondContact OG1-CD1 3.45Å; T762-K770 WeakPolarHBondContact O-CE 3.42Å; T762-K770 PolarHBondContact O-NZ 3.2Å
763A82.6Confident87.9Confident81 Ų8191.5 Ų91.567%0.66948%0.476SS*.THydrogen-bonded Turntrans-65.5-40.5-174.800000112.6N761 I765N761-A763 PolarHBondContact O-N 2.85Å; N761-A763 VanDerWaalsContact O-N 3.16Å; A763-I765 PolarHBondContact O-N 3.35Å
764D84.4Confident87.8Confident155 Ų15587.9 Ų87.983%0.82946%0.462SS*.THydrogen-bonded Turntrans-77.55-160.1-38.2-78.3000115.2T762T762-D764 PolarHBondContact O-N 3.36Å
765I84.6Confident87.5Confident41 Ų4187.8 Ų87.821%0.2146%0.461CS..SBendtrans-109.6127-174-53-177.1000110.2T762 A763 E769 K770T762-I765 WeakPolarHBondContact OG1-CD1 3.45Å; A763-I765 PolarHBondContact O-N 3.35Å; I765-E769 HydrophobicContact CG2-CB 3.76Å; I765-K770 HydrophobicContact CB-CG 3.94Å; I765-K770 HydrophobicContact CG2-CG 3.79Å; I765-K770 WeakPolarHBondContact O-CE 3.5Å
766S90.9Very high87.3Confident72 Ų7283.5 Ų83.550%0.50345%0.449SS..  trans-54.3138.9175.4-179.60000112R768 E769 K770S766-R768 PolarHBondContact O-N 3.33Å; S766-E769 WeakPolarHBondContact O-CA 3.45Å; S766-E769 WeakPolarHBondContact O-CB 3.31Å; S766-E769 PolarHBondContact O-N 3.12Å; S766-K770 PolarHBondContact O-N 3.02Å
767E85.1Confident87.4Confident166 Ų16684.8 Ų84.878%0.77646%0.455SS*.Hα-helixtrans-50.6-36.8178-60.1-169.2145.200113.2E769 M771E767-E769 VanDerWaalsContact C-N 3.28Å; E767-E769 PolarHBondContact O-N 3.25Å; E767-M771 WeakPolarHBondContact O-CB 3.22Å; E767-M771 WeakPolarHBondContact O-CG 3.48Å; E767-M771 PolarHBondContact O-N 2.85Å
768R87.8Confident87.1Confident217 Ų21785 Ų8582%0.81945%0.453SS*.Hα-helixtrans-62.8-36.4178.6-172.4178.5-179.6116.5-6.3111.8S766 A772S766-R768 PolarHBondContact O-N 3.33Å; R768-A772 PolarHBondContact O-N 2.93Å
769E87.5Confident86.8Confident113 Ų11390.7 Ų90.753%0.52847%0.467SS..Hα-helixtrans-84.2-41.7179.6-61.8-167.2142.300111.8I765 S766 E767 M771 A772 Q773I765-E769 HydrophobicContact CG2-CB 3.76Å; S766-E769 WeakPolarHBondContact O-CA 3.45Å; S766-E769 WeakPolarHBondContact O-CB 3.31Å; S766-E769 PolarHBondContact O-N 3.12Å; E767-E769 VanDerWaalsContact C-N 3.28Å; E767-E769 PolarHBondContact O-N 3.25Å; E769-M771 PolarHBondContact O-N 3.11Å; E769-A772 CarbonylContact O-C 3.55Å; E769-A772 WeakPolarHBondContact O-CA 3.4Å; E769-A772 WeakPolarHBondContact O-CB 3.32Å; E769-A772 PolarHBondContact O-N 3.25Å; E769-Q773 WeakPolarHBondContact O-CG 3.36Å; E769-Q773 PolarHBondContact O-N 3.27Å
770K87.6Confident86.7Confident42 Ų4298.2 Ų98.218%0.18350%0.498CS..Hα-helixtrans-48.8-49.2165.8-68.5-174.2169.9-179.10110V759 V760 T762 I765 S766 A772 Q773 L774V759-K770 HydrophobicContact CG1-CB 4.33Å; V759-K770 HydrophobicContact CG1-CG 4.47Å; V759-K770 WeakPolarHBondContact O-CD 3.32Å; V759-K770 WeakPolarHBondContact O-CE 3.49Å; V759-K770 WeakPolarHBondContact O-CG 3.43Å; V760-K770 PolarHBondContact O-NZ 3.48Å; T762-K770 WeakPolarHBondContact O-CE 3.42Å; T762-K770 PolarHBondContact O-NZ 3.2Å; I765-K770 HydrophobicContact CB-CG 3.94Å; I765-K770 HydrophobicContact CG2-CG 3.79Å; I765-K770 WeakPolarHBondContact O-CE 3.5Å; S766-K770 PolarHBondContact O-N 3.02Å; K770-A772 VanDerWaalsContact C-N 3.29Å; K770-A772 PolarHBondContact O-N 3.01Å; K770-Q773 PolarHBondContact O-N 3.29Å; K770-L774 WeakPolarHBondContact O-CB 3.33Å; K770-L774 PolarHBondContact O-N 2.98Å
771M83.8Confident86.4Confident96 Ų9694.9 Ų94.947%0.47348%0.48SS..Hα-helixtrans-67.8-17.8176-85.4-73.2-105.200115.1E767 E769 L774 K775E767-M771 WeakPolarHBondContact O-CB 3.22Å; E767-M771 WeakPolarHBondContact O-CG 3.48Å; E767-M771 PolarHBondContact O-N 2.85Å; E769-M771 PolarHBondContact O-N 3.11Å; M771-L774 HydrophobicContact SD-CD2 4Å; M771-K775 WeakPolarHBondContact O-CD 3.49Å; M771-K775 WeakPolarHBondContact O-CE 3.5Å; M771-K775 WeakPolarHBondContact O-CG 3.26Å; M771-K775 PolarHBondContact O-NZ 2.87Å; M771-K775 VanDerWaalsContact O-NZ 3.09Å
772A88.3Confident85.6Confident58 Ų5890.8 Ų90.848%0.47947%0.467SS..Hα-helixtrans-85.2-45.5172.400000111.2R768 E769 K770 K775 S776R768-A772 PolarHBondContact O-N 2.93Å; E769-A772 CarbonylContact O-C 3.55Å; E769-A772 WeakPolarHBondContact O-CA 3.4Å; E769-A772 WeakPolarHBondContact O-CB 3.32Å; E769-A772 PolarHBondContact O-N 3.25Å; K770-A772 VanDerWaalsContact C-N 3.29Å; K770-A772 PolarHBondContact O-N 3.01Å; A772-K775 PolarHBondContact O-N 2.91Å; A772-S776 PolarHBondContact O-N 3.38Å
773Q88.6Confident84.6Confident76 Ų7691.1 Ų91.136%0.35547%0.469SS..Hα-helixtrans-60.7-46.4174.7-66.2-177.219.600111.1V759 E769 K770 K775 S776 I777V759-Q773 HydrophobicContact CG1-CB 3.87Å; E769-Q773 WeakPolarHBondContact O-CG 3.36Å; E769-Q773 PolarHBondContact O-N 3.27Å; K770-Q773 PolarHBondContact O-N 3.29Å; Q773-K775 VanDerWaalsContact C-N 3.35Å; Q773-K775 PolarHBondContact O-N 3.49Å; Q773-S776 CarbonylContact O-C 3.58Å; Q773-S776 WeakPolarHBondContact O-CA 3.43Å; Q773-S776 VanDerWaalsContact O-CB 3.22Å; Q773-S776 WeakPolarHBondContact O-CB 3.35Å; Q773-S776 PolarHBondContact O-N 2.95Å; Q773-I777 WeakPolarHBondContact O-CG1 3.36Å; Q773-I777 PolarHBondContact O-N 3.12Å
774L86.7Confident83.4Confident38 Ų3896.4 Ų96.420%0.19948%0.477CS..Hα-helixtrans-54.7-46.3174.4-171.168.8000112.3A756 K770 M771 S776 I777 Y778A756-L774 HydrophobicContact CB-CD1 3.33Å; K770-L774 WeakPolarHBondContact O-CB 3.33Å; K770-L774 PolarHBondContact O-N 2.98Å; M771-L774 HydrophobicContact SD-CD2 4Å; L774-S776 VanDerWaalsContact C-N 3.29Å; L774-S776 PolarHBondContact O-N 2.91Å; L774-I777 PolarHBondContact O-N 3.23Å; L774-Y778 HydrophobicContact CD1-CD2 4.19Å; L774-Y778 HydrophobicContact CD1-CE2 3.62Å; L774-Y778 HydrophobicContact CG-CD2 4.12Å; L774-Y778 HydrophobicContact CG-CE2 3.9Å; L774-Y778 VanDerWaalsContact O-CD2 3.3Å; L774-Y778 WeakPolarHBondContact O-CD2 3.41Å; L774-Y778 PolarHBondContact O-N 2.89Å; L774-Y778 VanDerWaalsContact O-N 3.07Å
775K86.3Confident82.1Confident124 Ų12497.5 Ų97.554%0.53947%0.474SS..Hα-helixtrans-65.2-32.2175.3-71.1165.6-160.2141.50112.1M771 A772 Q773 K779M771-K775 WeakPolarHBondContact O-CD 3.49Å; M771-K775 WeakPolarHBondContact O-CE 3.5Å; M771-K775 WeakPolarHBondContact O-CG 3.26Å; M771-K775 PolarHBondContact O-NZ 2.87Å; M771-K775 VanDerWaalsContact O-NZ 3.09Å; A772-K775 PolarHBondContact O-N 2.91Å; Q773-K775 VanDerWaalsContact C-N 3.35Å; Q773-K775 PolarHBondContact O-N 3.49Å; K775-K779 WeakPolarHBondContact O-CB 3.38Å; K775-K779 PolarHBondContact O-N 3.44Å; K775-K779 VanDerWaalsContact O-N 3.12Å
776S87.9Confident80.9Confident50 Ų50104.1 Ų104.135%0.3551%0.505SS..Hα-helixtrans-68.7-43.9173.9-164.80000111.5A772 Q773 L774 K779 K780A772-S776 PolarHBondContact O-N 3.38Å; Q773-S776 CarbonylContact O-C 3.58Å; Q773-S776 WeakPolarHBondContact O-CA 3.43Å; Q773-S776 VanDerWaalsContact O-CB 3.22Å; Q773-S776 WeakPolarHBondContact O-CB 3.35Å; Q773-S776 PolarHBondContact O-N 2.95Å; L774-S776 VanDerWaalsContact C-N 3.29Å; L774-S776 PolarHBondContact O-N 2.91Å; S776-K779 PolarHBondContact O-N 3.1Å; S776-K780 WeakPolarHBondContact O-CB 3.49Å; S776-K780 WeakPolarHBondContact O-CG 3.47Å; S776-K780 PolarHBondContact O-N 3.12Å
777I89.8Confident79.5Confident31 Ų31110.4 Ų110.416%0.15952%0.523CS..Hα-helixtrans-60.2-54.1177.7-69.2161.6000110.7A752 K755 V759 Q773 L774 K779 K780 A781A752-I777 HydrophobicContact CB-CG2 4.02Å; A752-I777 WeakPolarHBondContact O-CG2 3.3Å; K755-I777 HydrophobicContact CB-CD1 4.23Å; K755-I777 HydrophobicContact CB-CG2 4.2Å; K755-I777 WeakPolarHBondContact O-CD1 2.99Å; V759-I777 HydrophobicContact CG2-CD1 3.94Å; Q773-I777 WeakPolarHBondContact O-CG1 3.36Å; Q773-I777 PolarHBondContact O-N 3.12Å; L774-I777 PolarHBondContact O-N 3.23Å; I777-K779 VanDerWaalsContact C-N 3.31Å; I777-K779 PolarHBondContact O-N 2.8Å; I777-K780 PolarHBondContact O-N 2.96Å; I777-K780 VanDerWaalsContact O-N 3.16Å; I777-A781 WeakPolarHBondContact O-CB 3.44Å; I777-A781 PolarHBondContact O-N 3.19Å
778Y84.5Confident78.6Confident82 Ų82111.7 Ų111.732%0.32252%0.521SS..Hα-helixtrans-64.6-32.8178.1-72.9-64.6000113.4M749 A752 A756 L774 A781 V783M749-Y778 HydrophobicContact CE-CE1 4.43Å; A752-Y778 HydrophobicContact CB-CE1 4.5Å; A756-Y778 HydrophobicContact CB-CE2 4.39Å; L774-Y778 HydrophobicContact CD1-CD2 4.19Å; L774-Y778 HydrophobicContact CD1-CE2 3.62Å; L774-Y778 HydrophobicContact CG-CD2 4.12Å; L774-Y778 HydrophobicContact CG-CE2 3.9Å; L774-Y778 VanDerWaalsContact O-CD2 3.3Å; L774-Y778 WeakPolarHBondContact O-CD2 3.41Å; L774-Y778 PolarHBondContact O-N 2.89Å; L774-Y778 VanDerWaalsContact O-N 3.07Å; Y778-A781 PolarHBondContact O-N 2.96Å; Y778-V783 HydrophobicContact CD1-CG2 4.16Å; Y778-V783 WeakPolarHBondContact O-CB 3.28Å; Y778-V783 PolarHBondContact O-N 3.22Å
779K84.4Confident77.8Confident175 Ų175109.9 Ų109.976%0.76152%0.521SS*.Hα-helixtrans-65.4-42.4172.7-175.8-175.3177.1-169.40111.7K775 S776 I777 G782K775-K779 WeakPolarHBondContact O-CB 3.38Å; K775-K779 PolarHBondContact O-N 3.44Å; K775-K779 VanDerWaalsContact O-N 3.12Å; S776-K779 PolarHBondContact O-N 3.1Å; I777-K779 VanDerWaalsContact C-N 3.31Å; I777-K779 PolarHBondContact O-N 2.8Å; K779-G782 PolarHBondContact O-N 2.94Å
780K84.7Confident77.4Confident177 Ų177106.8 Ų106.877%0.7751%0.51SS*.Hα-helixtrans-68.2-34.1175.3-73.8177.2-179.7-1760112.4S776 I777 G782S776-K780 WeakPolarHBondContact O-CB 3.49Å; S776-K780 WeakPolarHBondContact O-CG 3.47Å; S776-K780 PolarHBondContact O-N 3.12Å; I777-K780 PolarHBondContact O-N 2.96Å; I777-K780 VanDerWaalsContact O-N 3.16Å; K780-G782 PolarHBondContact O-N 3.49Å; K780-G782 VanDerWaalsContact O-N 3.14Å
781A81.8Confident77.1Confident14 Ų14107.8 Ų107.812%0.11652%0.52CS..THydrogen-bonded Turntrans-64.2-13.517700000114A752 I777 Y778 V783A752-A781 HydrophobicContact CB-CB 3.58Å; I777-A781 WeakPolarHBondContact O-CB 3.44Å; I777-A781 PolarHBondContact O-N 3.19Å; Y778-A781 PolarHBondContact O-N 2.96Å; A781-V783 HydrophobicContact CB-CG2 4.5Å
782G71.1Confident77Confident41 Ų41110.7 Ų110.742%0.42353%0.526SS..THydrogen-bonded Turntrans85.916.5-178.100000113.7K779 K780 K784K779-G782 PolarHBondContact O-N 2.94Å; K780-G782 PolarHBondContact O-N 3.49Å; K780-G782 VanDerWaalsContact O-N 3.14Å; G782-K784 PolarHBondContact O-N 3.01Å
783V68.1Low76.7Confident64 Ų64109.6 Ų109.639%0.38851%0.512SS..  trans-67.380.7163.3-1730000107.8M749 Y778 A781 K785M749-V783 HydrophobicContact CE-CG2 3.87Å; M749-V783 HydrophobicContact SD-CG2 3.43Å; M749-V783 WeakPolarHBondContact SD-CG2 3.43Å; Y778-V783 HydrophobicContact CD1-CG2 4.16Å; Y778-V783 WeakPolarHBondContact O-CB 3.28Å; Y778-V783 PolarHBondContact O-N 3.22Å; A781-V783 HydrophobicContact CB-CG2 4.5Å; V783-K785 PolarHBondContact O-N 2.98Å
784K57.1Low76.5Confident193 Ų193111.5 Ų111.584%0.83953%0.529SS*.  trans-56.4112.4163-71.4178.5-179.5173.70105.4G782 E786G782-K784 PolarHBondContact O-N 3.01Å; K784-E786 PolarHBondContact O-N 3.26Å; K784-E786 VanDerWaalsContact O-N 3.1Å
785K58.7Low76.1Confident178 Ų178110.9 Ų110.977%0.77453%0.529SS*.  trans-49.4124.3162.5-67.1180179.4179.20106.2V783 K787V783-K785 PolarHBondContact O-N 2.98Å; K785-K787 PolarHBondContact O-N 3.03Å
786E58.7Low75.5Confident180 Ų180113.6 Ų113.684%0.84154%0.541SS*.  trans-48.1138.3166.9-65.9172.115000107.5K784 R788K784-E786 PolarHBondContact O-N 3.26Å; K784-E786 VanDerWaalsContact O-N 3.1Å; E786-R788 PolarHBondContact O-N 3.1Å
787K60.4Low74.4Confident204 Ų204121.9 Ų121.989%0.88757%0.571SS**  trans-68.488-178.7-73.2-178.7179.3176.10107.3K785 E789K785-K787 PolarHBondContact O-N 3.03Å; K787-E789 PolarHBondContact O-N 2.89Å
788R66.6Low73.3Confident193 Ų193124.2 Ų124.273%0.72860%0.602SS**  trans-40.9117.1175.7-72.3-177.5172.4-172.5-6.1108E786 V790E786-R788 PolarHBondContact O-N 3.1Å; R788-V790 WeakPolarHBondContact O-CG2 3.19Å; R788-V790 PolarHBondContact O-N 3.29Å; R788-V790 VanDerWaalsContact O-N 3.11Å
789E70.6Confident72.3Confident179 Ų179124 Ų12484%0.83661%0.61SS**  trans-60.4119.8-174.3-62-172.3142.400108.6K787K787-E789 PolarHBondContact O-N 2.89Å
790V79.1Confident71.3Confident47 Ų47118.2 Ų118.229%0.28560%0.599SS.*  trans-98.3103.6-179.4-1790000107.5R788 Y792 L812 K814R788-V790 WeakPolarHBondContact O-CG2 3.19Å; R788-V790 PolarHBondContact O-N 3.29Å; R788-V790 VanDerWaalsContact O-N 3.11Å; V790-Y792 HydrophobicContact CG1-CE1 4.28Å; V790-Y792 VanDerWaalsContact O-CD2 3.25Å; V790-Y792 WeakPolarHBondContact O-CD2 3.34Å; V790-Y792 WeakPolarHBondContact O-CE2 3.45Å; V790-Y792 PolarHBondContact O-N 2.63Å; V790-Y792 VanDerWaalsContact O-N 3.11Å; V790-L812 WeakPolarHBondContact CA-O 3.4Å; V790-L812 HydrophobicContact CG2-CD2 4.37Å; V790-K814 HydrophobicContact CG1-CB 3.56Å
791T81.3Confident70.2Confident63 Ų63120.6 Ų120.639%0.38761%0.61SS.*EExtended strand (participates in β ladder)trans-63.5114.5172.5-42.40000108.5L793 V809 L812 F813 K814T791-L793 HydrophobicContact CG2-CD2 4.34Å; T791-V809 HydrophobicContact CG2-CG1 4.13Å; T791-L812 PolarHBondContact N-O 3.42Å; T791-F813 CarbonylContact O-C 3.51Å; T791-F813 VanDerWaalsContact O-CA 3.29Å; T791-F813 WeakPolarHBondContact O-CA 3.36Å; T791-K814 PolarHBondContact O-N 3.34Å
792Y83.5Confident69.3Low157 Ų157129.5 Ų129.562%0.61665%0.646SS**EExtended strand (participates in β ladder)trans-84.2126.9175.6-64.9-77.2000109.5V790 K814 V816V790-Y792 HydrophobicContact CG1-CE1 4.28Å; V790-Y792 VanDerWaalsContact O-CD2 3.25Å; V790-Y792 WeakPolarHBondContact O-CD2 3.34Å; V790-Y792 WeakPolarHBondContact O-CE2 3.45Å; V790-Y792 PolarHBondContact O-N 2.63Å; V790-Y792 VanDerWaalsContact O-N 3.11Å; Y792-K814 WeakPolarHBondContact CA-O 3.32Å; Y792-K814 HydrophobicContact CD1-CB 4.11Å; Y792-K814 HydrophobicContact CE1-CB 4.26Å; Y792-K814 HydrophobicContact CE1-CD 4.26Å; Y792-V816 HydrophobicContact CD1-CG1 3.72Å
793L81.1Confident69.3Low35 Ų35130.4 Ų130.418%0.18364%0.643CS.*EExtended strand (participates in β ladder)trans-114.7117.5-179.8-64.1174.7000109.3T791 A795 P806 V809 F813 K814 V815 V816T791-L793 HydrophobicContact CG2-CD2 4.34Å; L793-A795 PolarHBondContact O-N 2.88Å; L793-P806 HydrophobicContact CD1-CG 3.56Å; L793-P806 HydrophobicContact CD2-CG 4.14Å; L793-P806 HydrophobicContact CG-CG 4.49Å; L793-V809 HydrophobicContact CD2-CG2 4.45Å; L793-F813 HydrophobicContact CD1-CB 4.01Å; L793-F813 HydrophobicContact CD1-CD2 3.65Å; L793-F813 HydrophobicContact CD1-CE2 4.34Å; L793-F813 HydrophobicContact CD1-CG 4Å; L793-F813 HydrophobicContact CG-CB 4.49Å; L793-K814 PolarHBondContact N-O 3.03Å; L793-V815 CarbonylContact O-C 3.55Å; L793-V815 WeakPolarHBondContact O-CA 3.31Å; L793-V816 PolarHBondContact O-N 3.39Å
794V83.6Confident69.5Low117 Ų117132.4 Ų132.471%0.70966%0.66SS**EExtended strand (participates in β ladder)trans-77.2117.6178.4-174.30000109.3K796 V816V794-K796 PolarHBondContact O-N 2.95Å; V794-V816 WeakPolarHBondContact CA-O 3.43Å; V794-V816 HydrophobicContact CG2-CG2 4.04Å
795A78.3Confident70.5Confident25 Ų25130.1 Ų130.121%0.20765%0.646CS.*PPolyproline II helixtrans-72.7122.8170.200000109.8L793 V815 V816L793-A795 PolarHBondContact O-N 2.88Å; A795-V815 HydrophobicContact CB-CG1 3.84Å; A795-V816 PolarHBondContact N-O 2.93Å
796K74.4Confident71.3Confident181 Ų181124.2 Ų124.279%0.78763%0.626SS**PPolyproline II helixtrans-76.6155.8166-66.7-172176.6-174.80109.7V794 G798 V799V794-K796 PolarHBondContact O-N 2.95Å; K796-G798 PolarHBondContact O-N 3.08Å; K796-V799 WeakPolarHBondContact O-CG2 3.4Å; K796-V799 PolarHBondContact O-N 3.28Å
797K65.1Low72Confident223 Ų223127.7 Ų127.797%0.9763%0.631SS**THydrogen-bonded Turntrans-58.3128.2-177.9-171.7-177.1178.9-170.90110.2
798G66.6Low72.7Confident80 Ų80121.7 Ų121.783%0.82563%0.627SS**THydrogen-bonded Turntrans108.6-12.6178.900000115.7K796 G800K796-G798 PolarHBondContact O-N 3.08Å; G798-G800 PolarHBondContact O-N 2.94Å
799V64.4Low73.2Confident79 Ų79113.6 Ų113.648%0.47960%0.599SS.*  trans-71127.4175.4-1740000110.6K796 V803K796-V799 WeakPolarHBondContact O-CG2 3.4Å; K796-V799 PolarHBondContact O-N 3.28Å; V799-V803 HydrophobicContact CG1-CB 4.34Å; V799-V803 HydrophobicContact CG1-CG1 4.1Å; V799-V803 HydrophobicContact CG1-CG2 3.69Å
800G62.8Low73.2Confident52 Ų52115 Ų11554%0.53660%0.602SS.*  trans-71.6177.3-17600000115.6G798 K802G798-G800 PolarHBondContact O-N 2.94Å; G800-K802 PolarHBondContact O-N 3.49Å
801K60.5Low73.1Confident228 Ų228114.6 Ų114.699%0.99161%0.607SS**SBendtrans-55.6-15-173.7-71.3-177.6179.3175.10116.1
802K63Low73.1Confident201 Ų201116.7 Ų116.787%0.87462%0.616SS**SBendtrans-126.4115.1173.8-69.6180178.9176.30108.9G800G800-K802 PolarHBondContact O-N 3.49Å
803V70.6Confident73.2Confident59 Ų59112 Ų11236%0.35860%0.599SS.*PPolyproline II helixtrans-93.3126.9172.8-165.20000108.7V799 V815V799-V803 HydrophobicContact CG1-CB 4.34Å; V799-V803 HydrophobicContact CG1-CG1 4.1Å; V799-V803 HydrophobicContact CG1-CG2 3.69Å; V803-V815 HydrophobicContact CB-CG2 3.93Å; V803-V815 HydrophobicContact CG1-CG2 4.45Å; V803-V815 HydrophobicContact CG2-CB 4.48Å; V803-V815 HydrophobicContact CG2-CG1 3.94Å; V803-V815 HydrophobicContact CG2-CG2 3.85Å
804S73.6Confident73.3Confident107 Ų107115 Ų11575%0.74861%0.61SS**PPolyproline II helixtrans-69.9153.8173.2-166.20000111P806S804-P806 WeakPolarHBondContact O-CD 3.15Å
805R78.6Confident73.4Confident145 Ų145111.7 Ų111.755%0.54759%0.59SS.*PPolyproline II helixtrans-66.7124177.2175.8-177.5-89.4146.8-6.2109.4V809 G811 F813R805-V809 VanDerWaalsContact CD-O 3.28Å; R805-V809 WeakPolarHBondContact CD-O 3.33Å; R805-V809 PolarHBondContact NE-O 3.39Å; R805-G811 PolarHBondContact NH2-O 2.85Å; R805-F813 HydrophobicContact CB-CE1 3.83Å; R805-F813 HydrophobicContact CB-CZ 4.19Å; R805-F813 HydrophobicContact CG-CD1 4.36Å; R805-F813 HydrophobicContact CG-CE1 4.03Å
806P73.8Confident73.7Confident53 Ų53111.8 Ų111.834%0.34459%0.588SS.*PPolyproline II helixtrans-62.4149.8174.7-21.933.4000112.2L793 S804 G808 V809L793-P806 HydrophobicContact CD1-CG 3.56Å; L793-P806 HydrophobicContact CD2-CG 4.14Å; L793-P806 HydrophobicContact CG-CG 4.49Å; S804-P806 WeakPolarHBondContact O-CD 3.15Å; P806-G808 PolarHBondContact O-N 2.91Å; P806-V809 HydrophobicContact CB-CG2 4.1Å; P806-V809 HydrophobicContact CG-CG2 4.38Å; P806-V809 PolarHBondContact O-N 2.67Å
807R74.3Confident74.1Confident254 Ų254106.8 Ų106.896%0.95857%0.57SS**THydrogen-bonded Turntrans-57.5138.1171.5-67.2-178174.8-174.5-1.5109.1
808G75.2Confident75Confident77 Ų7798.1 Ų98.179%0.79454%0.544SS*.THydrogen-bonded Turntrans92.5-30.7-177.300000116P806 K810P806-G808 PolarHBondContact O-N 2.91Å; G808-K810 PolarHBondContact O-N 2.83Å
809V77.6Confident75.7Confident24 Ų24103 Ų10315%0.14554%0.537CS..  trans-7887-172.4-174.50000112.4T791 L793 R805 P806 G811 F813T791-V809 HydrophobicContact CG2-CG1 4.13Å; L793-V809 HydrophobicContact CD2-CG2 4.45Å; R805-V809 VanDerWaalsContact CD-O 3.28Å; R805-V809 WeakPolarHBondContact CD-O 3.33Å; R805-V809 PolarHBondContact NE-O 3.39Å; P806-V809 HydrophobicContact CB-CG2 4.1Å; P806-V809 HydrophobicContact CG-CG2 4.38Å; P806-V809 PolarHBondContact O-N 2.67Å; V809-G811 PolarHBondContact O-N 3.28Å; V809-F813 HydrophobicContact CG1-CB 4.08Å
810K70.5Confident76.6Confident209 Ų209102.1 Ų102.191%0.90953%0.529SS*.  trans-84.797173.4-69.4-177.2-179.6178.30111.2G808G808-K810 PolarHBondContact O-N 2.83Å
811G77.2Confident77.7Confident37 Ų37107.6 Ų107.638%0.38154%0.538SS..SBendtrans156-156.2172.600000114.8R805 V809R805-G811 PolarHBondContact NH2-O 2.85Å; V809-G811 PolarHBondContact O-N 3.28Å
812L79.9Confident78.9Confident108 Ų108104.6 Ų104.657%0.56553%0.525SS*.  trans-89.4109.3173.6-16578000108.3V790 T791V790-L812 WeakPolarHBondContact CA-O 3.4Å; V790-L812 HydrophobicContact CG2-CD2 4.37Å; T791-L812 PolarHBondContact N-O 3.42Å
813F85.7Confident80.1Confident59 Ų5999.2 Ų99.226%0.25951%0.505SS..EExtended strand (participates in β ladder)trans-101.2154.4177.365.9-88.7000110.9T791 L793 R805 V809 V815T791-F813 CarbonylContact O-C 3.51Å; T791-F813 VanDerWaalsContact O-CA 3.29Å; T791-F813 WeakPolarHBondContact O-CA 3.36Å; L793-F813 HydrophobicContact CD1-CB 4.01Å; L793-F813 HydrophobicContact CD1-CD2 3.65Å; L793-F813 HydrophobicContact CD1-CE2 4.34Å; L793-F813 HydrophobicContact CD1-CG 4Å; L793-F813 HydrophobicContact CG-CB 4.49Å; R805-F813 HydrophobicContact CB-CE1 3.83Å; R805-F813 HydrophobicContact CB-CZ 4.19Å; R805-F813 HydrophobicContact CG-CD1 4.36Å; R805-F813 HydrophobicContact CG-CE1 4.03Å; V809-F813 HydrophobicContact CG1-CB 4.08Å; F813-V815 HydrophobicContact CD2-CG2 4.18Å; F813-V815 HydrophobicContact CE2-CG2 4.02Å
814K84.7Confident80.9Confident97 Ų97100.9 Ų100.942%0.42251%0.511SS..EExtended strand (participates in β ladder)trans-125.8118.9169.2-178.4170.4-179.5-179.50110.1V790 T791 Y792 L793 V816V790-K814 HydrophobicContact CG1-CB 3.56Å; T791-K814 PolarHBondContact O-N 3.34Å; Y792-K814 WeakPolarHBondContact CA-O 3.32Å; Y792-K814 HydrophobicContact CD1-CB 4.11Å; Y792-K814 HydrophobicContact CE1-CB 4.26Å; Y792-K814 HydrophobicContact CE1-CD 4.26Å; L793-K814 PolarHBondContact N-O 3.03Å; K814-V816 HydrophobicContact CG-CG1 4.29Å
815V84.1Confident81.5Confident48 Ų48103.6 Ų103.629%0.29150%0.504SS..EExtended strand (participates in β ladder)trans-68.5136.2169-175.10000109.1L793 A795 V803 F813L793-V815 CarbonylContact O-C 3.55Å; L793-V815 WeakPolarHBondContact O-CA 3.31Å; A795-V815 HydrophobicContact CB-CG1 3.84Å; V803-V815 HydrophobicContact CB-CG2 3.93Å; V803-V815 HydrophobicContact CG1-CG2 4.45Å; V803-V815 HydrophobicContact CG2-CB 4.48Å; V803-V815 HydrophobicContact CG2-CG1 3.94Å; V803-V815 HydrophobicContact CG2-CG2 3.85Å; F813-V815 HydrophobicContact CD2-CG2 4.18Å; F813-V815 HydrophobicContact CE2-CG2 4.02Å
816V85.3Confident82Confident26 Ų2698.7 Ų98.716%0.15850%0.498CS..EExtended strand (participates in β ladder)trans-131.9148.6178.1-570000110.2Y792 L793 V794 A795 K814 M820Y792-V816 HydrophobicContact CD1-CG1 3.72Å; L793-V816 PolarHBondContact O-N 3.39Å; V794-V816 WeakPolarHBondContact CA-O 3.43Å; V794-V816 HydrophobicContact CG2-CG2 4.04Å; A795-V816 PolarHBondContact N-O 2.93Å; K814-V816 HydrophobicContact CG-CG1 4.29Å; V816-M820 HydrophobicContact CB-CE 3.89Å; V816-M820 HydrophobicContact CG1-CE 3.57Å
817D83.5Confident82.6Confident77 Ų77100 Ų10041%0.41251%0.505SS..  trans-136159.6-179.3168.750.9000110.3R819 M820 K821D817-R819 PolarHBondContact O-N 2.57Å; D817-R819 WeakPolarHBondContact OD2-CB 3.43Å; D817-R819 PolarHBondContact OD2-N 3Å; D817-M820 PolarHBondContact O-N 3.34Å; D817-K821 PolarHBondContact O-N 3.4Å
818G82.9Confident83Confident41 Ų4192.6 Ų92.642%0.42348%0.482SS..Hα-helixtrans-56.3-31.8174.900000113.6K821 K822G818-K821 PolarHBondContact O-N 3.41Å; G818-K822 PolarHBondContact O-N 3.41Å; G818-K822 VanDerWaalsContact O-N 3.13Å
819R82.3Confident83.5Confident181 Ų18196.4 Ų96.468%0.68347%0.472SS*.Hα-helixtrans-65.5-50.1170.9-171.9177.9175.5157.42111.2D817 K821 K822 D823D817-R819 PolarHBondContact O-N 2.57Å; D817-R819 WeakPolarHBondContact OD2-CB 3.43Å; D817-R819 PolarHBondContact OD2-N 3Å; R819-K821 PolarHBondContact O-N 2.67Å; R819-K822 WeakPolarHBondContact O-CA 3.4Å; R819-K822 WeakPolarHBondContact O-CB 3.38Å; R819-K822 PolarHBondContact O-N 2.82Å; R819-D823 VanDerWaalsContact O-CG 3.28Å; R819-D823 PolarHBondContact O-N 3.29Å
820M83.1Confident83.8Confident61 Ų61103.3 Ų103.330%0.350%0.5SS..Hα-helixtrans-59.3-32.9177.6-159.1-161.472.400112V816 D817 M824V816-M820 HydrophobicContact CB-CE 3.89Å; V816-M820 HydrophobicContact CG1-CE 3.57Å; D817-M820 PolarHBondContact O-N 3.34Å; M820-M824 VanDerWaalsContact O-CB 3.29Å; M820-M824 WeakPolarHBondContact O-CB 3.44Å; M820-M824 VanDerWaalsContact O-CG 3.23Å; M820-M824 WeakPolarHBondContact O-CG 3.48Å; M820-M824 PolarHBondContact O-N 3.21Å
821K84.8Confident84.4Confident168 Ų16897.8 Ų97.873%0.7348%0.478SS*.Hα-helixtrans-64.9-39.6172.2-171.4176.6-179.6178.40112.2D817 G818 R819 R825D817-K821 PolarHBondContact O-N 3.4Å; G818-K821 PolarHBondContact O-N 3.41Å; R819-K821 PolarHBondContact O-N 2.67Å; K821-R825 WeakPolarHBondContact O-CB 3.37Å; K821-R825 PolarHBondContact O-N 3.07Å
822K86.3Confident84.5Confident165 Ų165102.4 Ų102.472%0.71749%0.489SS*.Hα-helixtrans-67.1-47.8173.2-71179.3-179.8-178.30111.4G818 R819 R825 G826G818-K822 PolarHBondContact O-N 3.41Å; G818-K822 VanDerWaalsContact O-N 3.13Å; R819-K822 WeakPolarHBondContact O-CA 3.4Å; R819-K822 WeakPolarHBondContact O-CB 3.38Å; R819-K822 PolarHBondContact O-N 2.82Å; K822-R825 WeakPolarHBondContact O-CB 3.48Å; K822-R825 PolarHBondContact O-N 3.36Å; K822-R825 VanDerWaalsContact O-N 3.14Å; K822-G826 PolarHBondContact O-N 2.82Å
823D88.1Confident84.4Confident87 Ų87107.5 Ų107.547%0.46550%0.501SS..Hα-helixtrans-61.7-48-177.8-59.4-25.1000111.4R819 R825 G826 V827R819-D823 VanDerWaalsContact O-CG 3.28Å; R819-D823 PolarHBondContact O-N 3.29Å; D823-R825 VanDerWaalsContact C-N 3.3Å; D823-R825 PolarHBondContact O-N 3.09Å; D823-G826 WeakPolarHBondContact O-CA 3.47Å; D823-G826 PolarHBondContact O-N 3.34Å; D823-V827 PolarHBondContact O-N 2.9Å
824M86.8Confident83.8Confident95 Ų95108.3 Ų108.347%0.46852%0.519SS..Hα-helixtrans-57.8-39.1173.7-76.7-69.6-60.700112.7M820 G826 V827 Q828M820-M824 VanDerWaalsContact O-CB 3.29Å; M820-M824 WeakPolarHBondContact O-CB 3.44Å; M820-M824 VanDerWaalsContact O-CG 3.23Å; M820-M824 WeakPolarHBondContact O-CG 3.48Å; M820-M824 PolarHBondContact O-N 3.21Å; M824-G826 VanDerWaalsContact C-N 3.31Å; M824-G826 PolarHBondContact O-N 3.02Å; M824-V827 PolarHBondContact O-N 3.42Å; M824-Q828 WeakPolarHBondContact O-CB 3.46Å; M824-Q828 WeakPolarHBondContact O-CG 3.35Å; M824-Q828 PolarHBondContact O-N 2.94Å
825R86.3Confident83.1Confident164 Ų164111 Ų11162%0.61953%0.53SS*.Hα-helixtrans-68.8-31.1177-160.1178.4-165.3-172.85.5111.7K821 K822 D823 R829K821-R825 WeakPolarHBondContact O-CB 3.37Å; K821-R825 PolarHBondContact O-N 3.07Å; K822-R825 WeakPolarHBondContact O-CB 3.48Å; K822-R825 PolarHBondContact O-N 3.36Å; K822-R825 VanDerWaalsContact O-N 3.14Å; D823-R825 VanDerWaalsContact C-N 3.3Å; D823-R825 PolarHBondContact O-N 3.09Å; R825-R829 WeakPolarHBondContact O-CB 3.45Å; R825-R829 WeakPolarHBondContact O-CG 3.11Å; R825-R829 PolarHBondContact O-N 3.17Å; R825-R829 VanDerWaalsContact O-N 3.11Å
826G88.8Confident81.9Confident41 Ų41111.6 Ų111.642%0.42355%0.547SS..Hα-helixtrans-65.2-49169.500000112.4K822 D823 M824 Q828 R829 K830K822-G826 PolarHBondContact O-N 2.82Å; D823-G826 WeakPolarHBondContact O-CA 3.47Å; D823-G826 PolarHBondContact O-N 3.34Å; M824-G826 VanDerWaalsContact C-N 3.31Å; M824-G826 PolarHBondContact O-N 3.02Å; G826-Q828 PolarHBondContact O-N 3Å; G826-R829 PolarHBondContact O-N 3.28Å; G826-K830 PolarHBondContact O-N 3.35Å
827V87.2Confident80.2Confident80 Ų80113.4 Ų113.449%0.48557%0.57SS.*Hα-helixtrans-60-46176.3176.30000111.3D823 M824 R829 K830 E831D823-V827 PolarHBondContact O-N 2.9Å; M824-V827 PolarHBondContact O-N 3.42Å; V827-R829 VanDerWaalsContact C-N 3.34Å; V827-R829 PolarHBondContact O-N 2.88Å; V827-K830 WeakPolarHBondContact O-CB 3.29Å; V827-K830 PolarHBondContact O-N 2.83Å; V827-K830 VanDerWaalsContact O-N 3.08Å; V827-E831 PolarHBondContact O-N 2.83Å
828Q83.8Confident78.8Confident100 Ų100119.2 Ų119.247%0.46759%0.592SS.*Hα-helixtrans-60.1-40.7176.3-75.2176.5-7.400112.6M824 G826 K830 E831 Q832M824-Q828 WeakPolarHBondContact O-CB 3.46Å; M824-Q828 WeakPolarHBondContact O-CG 3.35Å; M824-Q828 PolarHBondContact O-N 2.94Å; G826-Q828 PolarHBondContact O-N 3Å; Q828-K830 VanDerWaalsContact C-N 3.34Å; Q828-E831 PolarHBondContact O-N 3.37Å; Q828-Q832 WeakPolarHBondContact O-CB 3.41Å; Q828-Q832 VanDerWaalsContact O-CG 3.27Å; Q828-Q832 WeakPolarHBondContact O-CG 3.15Å; Q828-Q832 PolarHBondContact O-N 3.1Å
829R84.7Confident77.1Confident157 Ų157120.7 Ų120.759%0.59261%0.607SS**Hα-helixtrans-64.4-36.9173.6-78.1172.7167.4-174.2-5.1112.3R825 G826 V827 R833R825-R829 WeakPolarHBondContact O-CB 3.45Å; R825-R829 WeakPolarHBondContact O-CG 3.11Å; R825-R829 PolarHBondContact O-N 3.17Å; R825-R829 VanDerWaalsContact O-N 3.11Å; G826-R829 PolarHBondContact O-N 3.28Å; V827-R829 VanDerWaalsContact C-N 3.34Å; V827-R829 PolarHBondContact O-N 2.88Å; R829-R833 WeakPolarHBondContact O-CB 3.09Å; R829-R833 WeakPolarHBondContact O-CG 3.02Å; R829-R833 PolarHBondContact O-N 2.95Å
830K84.9Confident75.3Confident168 Ų168122 Ų12273%0.7362%0.618SS**Hα-helixtrans-67.2-43.8174.9-167.9175.4-179.2178.70111.4G826 V827 Q828 R833 A834G826-K830 PolarHBondContact O-N 3.35Å; V827-K830 WeakPolarHBondContact O-CB 3.29Å; V827-K830 PolarHBondContact O-N 2.83Å; V827-K830 VanDerWaalsContact O-N 3.08Å; Q828-K830 VanDerWaalsContact C-N 3.34Å; K830-R833 PolarHBondContact O-N 2.84Å; K830-A834 WeakPolarHBondContact O-CB 2.91Å; K830-A834 PolarHBondContact O-N 2.85Å
831E82.8Confident73.4Confident94 Ų94123 Ų12344%0.43965%0.645SS.*Hα-helixtrans-61.9-43.6172.8-85.3-164.8-135.300113V827 Q828 A834 K835V827-E831 PolarHBondContact O-N 2.83Å; Q828-E831 PolarHBondContact O-N 3.37Å; E831-A834 PolarHBondContact O-N 3.28Å; E831-K835 WeakPolarHBondContact O-CB 3.23Å; E831-K835 WeakPolarHBondContact O-CG 3.35Å; E831-K835 PolarHBondContact O-N 3.2Å; E831-K835 IonicContact OE2-NZ 3.41Å; E831-K835 PolarHBondContact OE2-NZ 3.21Å
832Q78.9Confident71.3Confident133 Ų133126.9 Ų126.962%0.62166%0.655SS**Hα-helixtrans-64-41.2178.1-76.6171.9-1200111.5Q828 K835 G836Q828-Q832 WeakPolarHBondContact O-CB 3.41Å; Q828-Q832 VanDerWaalsContact O-CG 3.27Å; Q828-Q832 WeakPolarHBondContact O-CG 3.15Å; Q828-Q832 PolarHBondContact O-N 3.1Å; Q832-K835 PolarHBondContact O-N 2.72Å; Q832-G836 PolarHBondContact O-N 3.25Å
833R77.7Confident69.2Low215 Ų215127.5 Ų127.581%0.81166%0.66SS**Hα-helixtrans-62-43.5172-77.7179.3168.8-170.5-4.7112.1R829 K830 G836 G837R829-R833 WeakPolarHBondContact O-CB 3.09Å; R829-R833 WeakPolarHBondContact O-CG 3.02Å; R829-R833 PolarHBondContact O-N 2.95Å; K830-R833 PolarHBondContact O-N 2.84Å; R833-G836 PolarHBondContact O-N 3.18Å; R833-G837 PolarHBondContact O-N 3.2Å
834A73.9Confident67Low77 Ų77129.6 Ų129.664%0.63668%0.678SS**Hα-helixtrans-64.2-43.1177.100000112.5K830 E831 G837K830-A834 WeakPolarHBondContact O-CB 2.91Å; K830-A834 PolarHBondContact O-N 2.85Å; E831-A834 PolarHBondContact O-N 3.28Å; A834-G837 PolarHBondContact O-N 2.74Å
835K69Low65Low152 Ų152134.8 Ų134.866%0.66170%0.698SS**Hα-helixtrans-70.3-30.4178-73.1164.7177.3166.50112.8E831 Q832 G837E831-K835 WeakPolarHBondContact O-CB 3.23Å; E831-K835 WeakPolarHBondContact O-CG 3.35Å; E831-K835 PolarHBondContact O-N 3.2Å; E831-K835 IonicContact OE2-NZ 3.41Å; E831-K835 PolarHBondContact OE2-NZ 3.21Å; Q832-K835 PolarHBondContact O-N 2.72Å; K835-G837 VanDerWaalsContact C-N 3.28Å; K835-G837 PolarHBondContact O-N 3Å
836G58.9Low62.8Low62 Ų62130.9 Ų130.964%0.63971%0.709SS**THydrogen-bonded Turntrans-76-8173.300000114.9Q832 R833 K838Q832-G836 PolarHBondContact O-N 3.25Å; R833-G836 PolarHBondContact O-N 3.18Å; G836-K838 VanDerWaalsContact C-N 3.29Å; G836-K838 PolarHBondContact O-N 2.69Å
837G50.4Low60.4Low63 Ų63132.9 Ų132.965%0.64973%0.729SS**THydrogen-bonded Turntrans-75.5-6.4-175.800000115.9R833 A834 K835R833-G837 PolarHBondContact O-N 3.2Å; A834-G837 PolarHBondContact O-N 2.74Å; K835-G837 VanDerWaalsContact C-N 3.28Å; K835-G837 PolarHBondContact O-N 3Å
838K53Low58.2Low199 Ų199139.4 Ų139.487%0.86575%0.751SS**SBendtrans-129.3114.7175.2-72.9-169.2174.6-171.80110.7G836G836-K838 VanDerWaalsContact C-N 3.29Å; G836-K838 PolarHBondContact O-N 2.69Å
839G48.2Very low56Low73 Ų73138.2 Ų138.275%0.75377%0.766SS**SBendtrans105.667.716600000116.8
840K43Very low54.1Low207 Ų207141 Ų14190%0.978%0.783SS**  -172.4116.3128.9-104.1165.3-173.7-175.50110.8R842K840-R842 PolarHBondContact O-N 3.43Å
841G44.4Very low52.3Low84 Ų84145 Ų14587%0.86679%0.793SS**PPolyproline II helixtrans-67129.8172.900000110.7
842R40.3Very low50.8Low248 Ų248144.1 Ų144.194%0.93681%0.809SS**PPolyproline II helixtrans-91.8116.6164.3-98.5-179.6160-174.9-7.5107.8K840K840-R842 PolarHBondContact O-N 3.43Å
843Q41.2Very low49Very low178 Ų178151.4 Ų151.483%0.83284%0.839SS**PPolyproline II helixtrans-63.3143.6167.1-78.1-175.9-30.800110.3
844P43.6Very low47.5Very low131 Ų131148.2 Ų148.285%0.85184%0.84SS**PPolyproline II helixtrans-73.6125.6170.630.6-32.4000109.9
845K44.9Very low46.2Very low205 Ų205151.9 Ų151.989%0.89185%0.851SS**PPolyproline II helixtrans-102.9116.3170.2-90.8-159.6170.8-167.30111.3
846G40.2Very low44.9Very low82 Ų82151.9 Ų151.985%0.84586%0.861SS**  trans53.599.9144.400000118.7
847G37.8Very low44.1Very low82 Ų82157.2 Ų157.285%0.84587%0.874SS**  trans-92.8120.7160.100000111.9
848K40.8Very low43.7Very low218 Ų218163.1 Ų163.195%0.94889%0.888SS**  trans-176.5132.7158.1-104.5170.2-175.5-178.40107.2
849G37.5Very low43.1Very low75 Ų75160.7 Ų160.777%0.77389%0.89SS**  cis-168.4172.8-6.300000111.1R851G849-R851 PolarHBondContact O-N 3.46Å
850K45.3Very low42.7Very low216 Ų216167 Ų16794%0.93990%0.9SS**  trans-76.8117.8177.1-82.7-173.9173.1-176.30111.9
851R45.9Very low42.7Very low250 Ų250163.9 Ų163.994%0.94390%0.9SS**  trans-146.1142.7145.1-79-173.7170.9178.9-4.9106.7G849G849-R851 PolarHBondContact O-N 3.46Å
852G52.5Low42.5Very low76 Ų76170.6 Ų170.678%0.78490%0.903SS**  cis164.341.4-0.400000115.3
853K40.1Very low42.7Very low286 Ų286163.5 Ų163.5100%1.24390%0.9SS**  trans-156.20158.1-105-176-179.3-175.90108.1

Retrieved 853 of 853 residues in 363.2 ms (Link to these results)

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