A0A077ZJ99_TRITR Loading...

Phosphatidylinositol 3-kinase catalytic subunit type 3

AlphaFold DB , UniProt , Accession A0A077ZJ99, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 894 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.8Very low57.1Low239 Ų239151 Ų151100%1.17770%0.696SS**  0122.60-82.8-174.1-98.600107.1E3M1-E3 PolarHBondContact O-N 3.14Å; M1-E3 VanDerWaalsContact O-N 3.15Å
2N33.1Very low59.8Low153 Ų153145.4 Ų145.482%0.81867%0.666SS**  trans-51.2114.5-174.6-75.1-22.6000111.6Q4N2-Q4 PolarHBondContact O-N 3.35Å
3E39.3Very low62.2Low169 Ų169134.4 Ų134.479%0.7962%0.616SS**  trans-66.582.2158.3-74.3-175.716200107.4M1 Y5M1-E3 PolarHBondContact O-N 3.14Å; M1-E3 VanDerWaalsContact O-N 3.15Å; E3-Y5 VanDerWaalsContact C-N 3.25Å; E3-Y5 PolarHBondContact O-N 2.98Å
4Q39.8Very low64.1Low173 Ų173127 Ų12781%0.80859%0.587SS**  trans-63.295.2164.9-85.2-177-21.600106.8N2 Q6N2-Q4 PolarHBondContact O-N 3.35Å; Q4-Q6 PolarHBondContact O-N 3.46Å
5Y44.7Very low65.7Low199 Ų199125.5 Ų125.578%0.7859%0.585SS**  trans-45.6108.9161.8-77-89.4000107.8E3 K7E3-Y5 VanDerWaalsContact C-N 3.25Å; E3-Y5 PolarHBondContact O-N 2.98Å; Y5-K7 VanDerWaalsContact C-N 3.33Å; Y5-K7 PolarHBondContact O-N 3.23Å
6Q53.7Low67.1Low153 Ų153118.7 Ų118.772%0.71555%0.554SS**  trans-58.399.9171-101.2-178.3-13.800107.1Q4 I8Q4-Q6 PolarHBondContact O-N 3.46Å; Q6-I8 PolarHBondContact O-N 3.21Å
7K60.3Low68.5Low184 Ų184118.2 Ų118.280%0.856%0.557SS**  trans-6698.9175.8-77.3-175.5177.7-179.60108.2Y5 R9Y5-K7 VanDerWaalsContact C-N 3.33Å; Y5-K7 PolarHBondContact O-N 3.23Å; K7-R9 PolarHBondContact O-N 3.26Å
8I66.3Low69.8Low120 Ų120122.4 Ų122.462%0.61557%0.566SS**  trans-69.6114.1169.8-58.4175.7000107.2Q6 Y246Q6-I8 PolarHBondContact O-N 3.21Å; I8-Y246 HydrophobicContact CG2-CD2 3.71Å; I8-Y246 HydrophobicContact CG2-CE2 4.04Å
9R79.1Confident71Confident117 Ų117120 Ų12044%0.44256%0.558SS.*  trans-88.1128.8174.9-64.1-178.1-179.6174-0.9109.2K7 F240 G245 Y246K7-R9 PolarHBondContact O-N 3.26Å; R9-F240 HydrophobicContact CB-CD2 3.57Å; R9-F240 HydrophobicContact CB-CE2 3.69Å; R9-F240 HydrophobicContact CB-CG 4.16Å; R9-F240 HydrophobicContact CB-CZ 4.37Å; R9-F240 HydrophobicContact CG-CD2 4.47Å; R9-F240 PolarHBondContact NH1-O 3.36Å; R9-G245 CarbonylContact O-C 3.59Å; R9-G245 VanDerWaalsContact O-CA 3.24Å; R9-G245 WeakPolarHBondContact O-CA 3.45Å; R9-Y246 PolarHBondContact O-N 3.34Å
10F85.5Confident72.2Confident103 Ų103114.2 Ų114.245%0.45253%0.531SS..EExtended strand (participates in β ladder)trans-132.2157.2174.164.8-91.1000112.2Y12 Y246 V248F10-Y12 HydrophobicContact CD2-CD1 4.46Å; F10-Y12 HydrophobicContact CD2-CE1 4.16Å; F10-Y12 HydrophobicContact CE2-CD1 4.37Å; F10-Y12 AromaticContact CE2-CE1 3.69Å; F10-Y12 HydrophobicContact CE2-CE1 3.69Å; F10-Y12 HydrophobicContact CE2-CE2 4.22Å; F10-Y12 AromaticContact CE2-CZ 3.61Å; F10-Y246 CarbonylContact C-O 3.52Å; F10-Y246 WeakPolarHBondContact CA-O 3.25Å; F10-Y246 WeakPolarHBondContact CB-O 3.31Å; F10-V248 HydrophobicContact CB-CG2 3.79Å; F10-V248 HydrophobicContact CD2-CG2 4.29Å; F10-V248 HydrophobicContact CG-CG2 4.2Å
11I89.2Confident73.2Confident51 Ų51113.3 Ų113.326%0.26253%0.525SS..EExtended strand (participates in β ladder)trans-126.5141.9171.8-172.4162.6000108.8D15 V16 V238 F240 Y246 M247 V248I11-D15 HydrophobicContact CG1-CB 4.38Å; I11-V16 HydrophobicContact CD1-CG2 3.65Å; I11-V16 HydrophobicContact CG1-CG2 3.79Å; I11-V16 HydrophobicContact CG2-CG2 4.05Å; I11-V238 HydrophobicContact CG2-CG1 4.12Å; I11-F240 HydrophobicContact CB-CZ 4.02Å; I11-F240 HydrophobicContact CG2-CZ 4.36Å; I11-Y246 PolarHBondContact N-O 3.29Å; I11-M247 HydrophobicContact CG2-CB 4.15Å; I11-M247 HydrophobicContact CG2-CG 4.18Å; I11-M247 CarbonylContact O-C 3.49Å; I11-M247 WeakPolarHBondContact O-CA 3.43Å; I11-V248 PolarHBondContact O-N 3.05Å
12Y90.3Very high76Confident84 Ų84102 Ų10233%0.32947%0.47SS..EExtended strand (participates in β ladder)trans-77142176.8-67.5-52.9000111.4F10 C14 D15 V16 V248 F250F10-Y12 HydrophobicContact CD2-CD1 4.46Å; F10-Y12 HydrophobicContact CD2-CE1 4.16Å; F10-Y12 HydrophobicContact CE2-CD1 4.37Å; F10-Y12 AromaticContact CE2-CE1 3.69Å; F10-Y12 HydrophobicContact CE2-CE1 3.69Å; F10-Y12 HydrophobicContact CE2-CE2 4.22Å; F10-Y12 AromaticContact CE2-CZ 3.61Å; Y12-C14 VanDerWaalsContact C-N 3.27Å; Y12-C14 PolarHBondContact O-N 3.28Å; Y12-D15 PolarHBondContact O-N 3.39Å; Y12-D15 VanDerWaalsContact O-N 3.1Å; Y12-V16 WeakPolarHBondContact O-CG2 3.35Å; Y12-V248 CarbonylContact C-O 3.55Å; Y12-V248 WeakPolarHBondContact CA-O 3.43Å; Y12-F250 HydrophobicContact CD1-CB 3.23Å; Y12-F250 HydrophobicContact CD1-CD1 4.13Å; Y12-F250 HydrophobicContact CD1-CD2 4.38Å; Y12-F250 AromaticContact CD1-CG 3.69Å; Y12-F250 HydrophobicContact CD1-CG 3.69Å; Y12-F250 HydrophobicContact CD2-CD1 4.18Å; Y12-F250 HydrophobicContact CE1-CB 3.87Å; Y12-F250 HydrophobicContact CE1-CD1 4.5Å; Y12-F250 HydrophobicContact CE1-CD2 4.21Å; Y12-F250 AromaticContact CE1-CG 3.95Å; Y12-F250 HydrophobicContact CE1-CG 3.95Å; Y12-F250 HydrophobicContact CG-CB 3.71Å; Y12-F250 AromaticContact CG-CD1 3.94Å; Y12-F250 HydrophobicContact CG-CD1 3.94Å; Y12-F250 AromaticContact CG-CG 3.98Å; Y12-F250 HydrophobicContact CG-CG 3.98Å
13S90.4Very high79Confident2 Ų296.7 Ų96.71%0.01444%0.439CS..G310 helixtrans-57.5-39.5179.155.40000112.4D15 V16 C101 V248 Y249 F250S13-D15 PolarHBondContact O-N 2.92Å; S13-V16 PolarHBondContact O-N 2.99Å; S13-V16 VanDerWaalsContact O-N 3.12Å; S13-C101 VanDerWaalsContact O-CA 3.25Å; S13-C101 WeakPolarHBondContact O-CA 3.31Å; S13-C101 PolarHBondContact O-N 2.96Å; S13-V248 PolarHBondContact N-O 3.04Å; S13-Y249 WeakPolarHBondContact OG-CA 3.19Å; S13-F250 PolarHBondContact OG-N 3.14Å; S13-F250 VanDerWaalsContact OG-N 3.12Å; S13-F250 PolarHBondContact OG-O 3.29Å
14C88.2Confident81.6Confident31 Ų3188.6 Ų88.621%0.20940%0.402CS..G310 helixtrans-61.3-25.3178.2610000113.8Y12 V16 C101 F250 P252Y12-C14 VanDerWaalsContact C-N 3.27Å; Y12-C14 PolarHBondContact O-N 3.28Å; C14-V16 VanDerWaalsContact C-N 3.33Å; C14-C101 WeakPolarHBondContact O-CB 3.35Å; C14-F250 WeakPolarHBondContact CB-O 3.25Å; C14-P252 HydrophobicContact CB-CG 3.93Å
15D88.8Confident83.9Confident104 Ų10480.7 Ų80.756%0.55637%0.366SS*.G310 helixtrans-87-6.6-178.7-58.7-21.5000112.1I11 Y12 S13 N17I11-D15 HydrophobicContact CG1-CB 4.38Å; Y12-D15 PolarHBondContact O-N 3.39Å; Y12-D15 VanDerWaalsContact O-N 3.1Å; S13-D15 PolarHBondContact O-N 2.92Å; D15-N17 PolarHBondContact O-N 2.83Å
16V88.5Confident86Confident17 Ų1771.9 Ų71.910%0.10333%0.334CS..  trans-100.189.3-174.8-1750000111.2I11 Y12 S13 C14 R18 Y100 C101 M247I11-V16 HydrophobicContact CD1-CG2 3.65Å; I11-V16 HydrophobicContact CG1-CG2 3.79Å; I11-V16 HydrophobicContact CG2-CG2 4.05Å; Y12-V16 WeakPolarHBondContact O-CG2 3.35Å; S13-V16 PolarHBondContact O-N 2.99Å; S13-V16 VanDerWaalsContact O-N 3.12Å; C14-V16 VanDerWaalsContact C-N 3.33Å; V16-R18 HydrophobicContact CG1-CB 4.15Å; V16-R18 PolarHBondContact O-N 3.43Å; V16-Y100 HydrophobicContact CG1-CD2 3.89Å; V16-Y100 HydrophobicContact CG1-CG 4.22Å; V16-C101 PolarHBondContact O-N 2.78Å; V16-M247 HydrophobicContact CB-CE 4.25Å; V16-M247 HydrophobicContact CG1-CE 3.92Å; V16-M247 HydrophobicContact CG2-CE 3.97Å; V16-M247 HydrophobicContact CG2-SD 4.34Å
17N90Very high87.7Confident111 Ų11165.2 Ų65.259%0.59430%0.303SS*.  trans-80.558.1173.5-169.311.5000112.1D15 K99D15-N17 PolarHBondContact O-N 2.83Å; N17-K99 WeakPolarHBondContact OD1-CD 3.43Å; N17-K99 WeakPolarHBondContact OD1-CE 3.43Å; N17-K99 PolarHBondContact OD1-NZ 3.32Å
18R91.5Very high88.7Confident193 Ų19359.9 Ų59.973%0.72828%0.281SS*.SBendtrans-132150.2175.7-69.8-168.7176.1-166.8-0.5111.2V16 K99 Y100V16-R18 HydrophobicContact CG1-CB 4.15Å; V16-R18 PolarHBondContact O-N 3.43Å; R18-K99 CarbonylContact O-C 3.54Å; R18-K99 WeakPolarHBondContact O-CA 3.3Å; R18-Y100 HydrophobicContact CB-CD2 4.39Å; R18-Y100 VanDerWaalsContact O-CD2 3.26Å; R18-Y100 WeakPolarHBondContact O-CD2 3.28Å; R18-Y100 PolarHBondContact O-N 3.35Å
19L94Very high89.2Confident77 Ų7756.2 Ų56.240%0.40327%0.273SS..EExtended strand (participates in β ladder)trans-66.8143.8176.8-64.3177.7000112.2V95 I98 K99 Y100L19-V95 HydrophobicContact CB-CG1 3.83Å; L19-V95 HydrophobicContact CD1-CG1 3.8Å; L19-V95 HydrophobicContact CG-CG1 4.48Å; L19-I98 CarbonylContact C-O 3.51Å; L19-I98 VanDerWaalsContact CA-O 3.29Å; L19-I98 WeakPolarHBondContact CA-O 3.49Å; L19-K99 HydrophobicContact CD2-CG 4.1Å; L19-Y100 WeakPolarHBondContact O-CE2 3.48Å
20V94Very high88.9Confident3 Ų357.9 Ų57.92%0.01829%0.285CS..EExtended strand (participates in β ladder)trans-68.6131.2177.2-179.20000109.8I66 L96 I98 Y100 L103V20-I66 HydrophobicContact CB-CD1 4.13Å; V20-I66 HydrophobicContact CG1-CD1 3.9Å; V20-I66 HydrophobicContact CG2-CD1 4.26Å; V20-L96 HydrophobicContact CB-CB 4.33Å; V20-L96 HydrophobicContact CB-CD1 4.48Å; V20-L96 HydrophobicContact CG1-CD1 4.04Å; V20-L96 PolarHBondContact O-N 3.15Å; V20-I98 WeakPolarHBondContact CG2-O 3.38Å; V20-I98 PolarHBondContact N-O 3.45Å; V20-Y100 HydrophobicContact CB-CE1 4.34Å; V20-Y100 HydrophobicContact CG1-CE1 4.11Å; V20-Y100 HydrophobicContact CG2-CD1 3.93Å; V20-Y100 HydrophobicContact CG2-CD2 4.48Å; V20-Y100 HydrophobicContact CG2-CE1 3.95Å; V20-Y100 HydrophobicContact CG2-CE2 4.5Å; V20-Y100 HydrophobicContact CG2-CG 4.2Å; V20-L103 HydrophobicContact CG2-CD1 3.75Å; V20-L103 HydrophobicContact CG2-CD2 4.28Å; V20-L103 HydrophobicContact CG2-CG 4.19Å
21K94.4Very high88.4Confident96 Ų9654.6 Ų54.642%0.41727%0.271SS..EExtended strand (participates in β ladder)trans-126.4143.8178.2-57.6-170.5179.5-173.70111.3W93 L94 V95 Y100 P236K21-W93 HydrophobicContact CB-CE3 3.93Å; K21-W93 HydrophobicContact CB-CZ3 4.18Å; K21-L94 VanDerWaalsContact CA-O 3.31Å; K21-L94 WeakPolarHBondContact CA-O 3.27Å; K21-V95 HydrophobicContact CD-CG2 4.03Å; K21-V95 HydrophobicContact CG-CB 4.49Å; K21-V95 HydrophobicContact CG-CG1 4.27Å; K21-V95 HydrophobicContact CG-CG2 4.06Å; K21-Y100 PolarHBondContact N-OH 3.19Å; K21-P236 WeakPolarHBondContact O-CD 3.21Å
22V94.8Very high87.4Confident1 Ų154.7 Ų54.71%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-142.3138.7171.465.50000108.6L94 L96 L109 F111 I233 F235V22-L94 HydrophobicContact CG1-CB 4.08Å; V22-L94 PolarHBondContact N-O 3.28Å; V22-L94 PolarHBondContact O-N 3.25Å; V22-L96 HydrophobicContact CG1-CD1 4.31Å; V22-L109 HydrophobicContact CB-CD2 4.15Å; V22-L109 HydrophobicContact CG1-CD2 4.07Å; V22-L109 HydrophobicContact CG2-CD2 3.99Å; V22-F111 HydrophobicContact CG1-CE1 4.43Å; V22-F111 HydrophobicContact CG1-CZ 4.19Å; V22-F111 HydrophobicContact CG2-CZ 4.13Å; V22-I233 HydrophobicContact CG2-CB 4.3Å; V22-I233 HydrophobicContact CG2-CD1 4.33Å; V22-F235 HydrophobicContact CG2-CD1 4.42Å; V22-F235 HydrophobicContact CG2-CE1 4.31Å
23K95.2Very high86.3Confident42 Ų4256.4 Ų56.418%0.18328%0.284CS..EExtended strand (participates in β ladder)trans-98.6131.6175.1-169.3-170.7175.7-172.80109.8E92 W93 I233 E234K23-E92 CarbonylContact C-O 3.55Å; K23-E92 VanDerWaalsContact CA-O 3.27Å; K23-E92 WeakPolarHBondContact CA-O 3.49Å; K23-E92 WeakPolarHBondContact CG-O 3.35Å; K23-W93 HydrophobicContact CB-CD2 3.59Å; K23-W93 HydrophobicContact CB-CE3 3.68Å; K23-W93 HydrophobicContact CB-CG 4.15Å; K23-W93 HydrophobicContact CB-CH2 3.94Å; K23-W93 HydrophobicContact CB-CZ2 3.88Å; K23-W93 HydrophobicContact CB-CZ3 3.86Å; K23-W93 HydrophobicContact CD-CD2 4.44Å; K23-W93 HydrophobicContact CD-CZ2 4.08Å; K23-W93 HydrophobicContact CG-CD2 4.08Å; K23-W93 HydrophobicContact CG-CG 4.18Å; K23-W93 HydrophobicContact CG-CZ2 4.47Å; K23-I233 CarbonylContact O-C 3.56Å; K23-I233 VanDerWaalsContact O-CA 3.27Å; K23-I233 WeakPolarHBondContact O-CA 3.37Å; K23-E234 HydrophobicContact CB-CB 4.05Å; K23-E234 HydrophobicContact CD-CB 4.4Å; K23-E234 VanDerWaalsContact CD-OE2 3.23Å; K23-E234 WeakPolarHBondContact CD-OE2 3.44Å; K23-E234 PolarHBondContact N-O 3.07Å; K23-E234 IonicContact NZ-OE2 3.25Å; K23-E234 PolarHBondContact NZ-OE2 3.12Å; K23-E234 PolarHBondContact O-N 3.11Å
24V94Very high85.1Confident0 Ų056.9 Ų56.90%029%0.287CS..EExtended strand (participates in β ladder)trans-94121.5171.8179.10000108.3L62 T79 W90 N91 E92 L94 F111 L231V24-L62 HydrophobicContact CG1-CD1 3.38Å; V24-T79 HydrophobicContact CB-CG2 4.05Å; V24-T79 HydrophobicContact CG1-CG2 4.17Å; V24-T79 HydrophobicContact CG2-CG2 3.83Å; V24-W90 HydrophobicContact CB-CB 4.4Å; V24-W90 HydrophobicContact CG1-CB 4.16Å; V24-W90 HydrophobicContact CG1-CD2 4.1Å; V24-W90 HydrophobicContact CG1-CE3 3.77Å; V24-W90 HydrophobicContact CG1-CG 4.29Å; V24-N91 CarbonylContact O-C 3.54Å; V24-N91 WeakPolarHBondContact O-CA 3.49Å; V24-N91 PolarHBondContact O-N 3.25Å; V24-E92 PolarHBondContact N-O 3.3Å; V24-E92 PolarHBondContact O-N 2.96Å; V24-L94 HydrophobicContact CG2-CD1 3.78Å; V24-L94 HydrophobicContact CG2-CG 4.1Å; V24-F111 HydrophobicContact CG2-CE1 4.02Å; V24-L231 HydrophobicContact CG1-CD1 4.16Å
25G89.2Confident84Confident6 Ų658.7 Ų58.76%0.06230%0.3CS..EExtended strand (participates in β ladder)trans-90.3-113.6179.200000111.8N89 W90 L232G25-N89 PolarHBondContact O-OD1 2.75Å; G25-W90 PolarHBondContact O-N 3.4Å; G25-L232 WeakPolarHBondContact CA-O 3.5Å; G25-L232 PolarHBondContact N-O 3.21Å
26S89.4Confident83Confident15 Ų1558.5 Ų58.511%0.10530%0.302CS..EExtended strand (participates in β ladder)trans-104.8152.317848.80000112.5E28 Y88 L232S26-E28 PolarHBondContact OG-OE1 3.12Å; S26-Y88 CarbonylContact C-O 3.58Å; S26-Y88 VanDerWaalsContact CA-O 3.23Å; S26-Y88 WeakPolarHBondContact CA-O 3.33Å; S26-L232 PolarHBondContact O-N 2.93Å
27L87.6Confident81.9Confident12 Ų1263.4 Ų63.46%0.06332%0.324CS..EExtended strand (participates in β ladder)trans-106.7122.9161.617473.2000107.9F31 I60 Y88 W90 I113 V148 L231L27-F31 HydrophobicContact CD2-CE2 4.41Å; L27-F31 HydrophobicContact CD2-CZ 3.79Å; L27-I60 HydrophobicContact CD2-CD1 4.43Å; L27-Y88 HydrophobicContact CD2-CD2 4.32Å; L27-Y88 PolarHBondContact N-O 3Å; L27-W90 HydrophobicContact CB-CH2 4.26Å; L27-W90 HydrophobicContact CB-CZ3 3.75Å; L27-I113 HydrophobicContact CD1-CD1 3.55Å; L27-I113 HydrophobicContact CD2-CD1 3.76Å; L27-I113 HydrophobicContact CD2-CG2 4.27Å; L27-I113 HydrophobicContact CG-CD1 4.31Å; L27-V148 HydrophobicContact CD1-CG2 4.02Å; L27-L231 HydrophobicContact CB-CD1 4.23Å; L27-L231 HydrophobicContact CD1-CB 4.31Å; L27-L231 HydrophobicContact CD1-CD1 4.36Å
28E82.4Confident80.7Confident72 Ų7259.7 Ų59.734%0.33631%0.307SS..EExtended strand (participates in β ladder)trans-124.6152.3-173.3-64.2178.4-167.800111S26 R223 Q229 F230S26-E28 PolarHBondContact OG-OE1 3.12Å; E28-R223 IonicContact OE2-CZ 3.91Å; E28-R223 VanDerWaalsContact OE2-CZ 3.27Å; E28-R223 IonicContact OE2-NE 2.63Å; E28-R223 IonicContact OE2-NH1 2.83Å; E28-R223 PolarHBondContact OE2-NH1 2.9Å; E28-R223 IonicContact OE2-NH2 3.27Å; E28-Q229 WeakPolarHBondContact O-CA 3.41Å; E28-F230 PolarHBondContact N-O 3.44Å; E28-F230 PolarHBondContact O-N 3.3Å
29G77.4Confident79.4Confident43 Ų4350.7 Ų50.744%0.44327%0.273SS..SBendtrans99.1-178.8-173.600000113
30H72.8Confident78Confident152 Ų15253.6 Ų53.670%0.70429%0.288SS*.  trans-115.2140.1-176.1-63.587.7000110.4Q229H30-Q229 VanDerWaalsContact O-CG 3.22Å; H30-Q229 WeakPolarHBondContact O-CG 2.96Å; H30-Q229 PolarHBondContact O-NE2 3.27Å
31F73.9Confident76.6Confident34 Ų3460.1 Ų60.115%0.14932%0.319CS..PPolyproline II helixtrans-69.4124.4175.1-69.7-77.2000108L27 K33 H58 I60 I113 L125 Q229L27-F31 HydrophobicContact CD2-CE2 4.41Å; L27-F31 HydrophobicContact CD2-CZ 3.79Å; F31-K33 PolarHBondContact O-N 3.15Å; F31-H58 AromaticContact CD2-CD2 3.61Å; F31-H58 AromaticContact CD2-NE2 3.8Å; F31-H58 AromaticContact CE2-CD2 3.98Å; F31-I60 HydrophobicContact CE2-CD1 3.61Å; F31-I60 HydrophobicContact CZ-CD1 3.68Å; F31-I113 HydrophobicContact CZ-CG2 4.27Å; F31-L125 HydrophobicContact CD1-CB 3.85Å; F31-L125 HydrophobicContact CD1-CD1 4.37Å; F31-L125 HydrophobicContact CD2-CD1 4.44Å; F31-L125 HydrophobicContact CE1-CB 3.43Å; F31-L125 VanDerWaalsContact CE1-CB 3.43Å; F31-L125 HydrophobicContact CE1-CD1 3.86Å; F31-L125 HydrophobicContact CE1-CG 4.24Å; F31-L125 HydrophobicContact CE2-CD1 3.91Å; F31-L125 HydrophobicContact CZ-CB 4.02Å; F31-L125 HydrophobicContact CZ-CD1 3.59Å; F31-L125 HydrophobicContact CZ-CG 4.46Å; F31-Q229 VanDerWaalsContact CA-NE2 3.25Å; F31-Q229 VanDerWaalsContact CD2-NE2 3.27Å
32P69.2Low75Confident54 Ų5460.7 Ų60.735%0.35132%0.323SS..PPolyproline II helixtrans-65.2125.2179.425-31.2000109P150 Y151P32-P150 HydrophobicContact CG-CB 3.47Å; P32-P150 VanDerWaalsContact CG-CB 3.47Å; P32-P150 HydrophobicContact CG-CG 3.79Å; P32-Y151 HydrophobicContact CG-CE2 4.42Å; P32-Y151 WeakPolarHBondContact O-CE2 3.37Å; P32-Y151 PolarHBondContact O-OH 3.16Å
33K67Low73.3Confident119 Ų11969.6 Ų69.652%0.51736%0.364SS..PPolyproline II helixtrans-62.5129.3175.6-70.9-176.4178.8174.70109.1F31 D54F31-K33 PolarHBondContact O-N 3.15Å; K33-D54 IonicContact NZ-OD1 2.68Å; K33-D54 PolarHBondContact NZ-OD1 2.95Å
34P65.3Low71.4Confident12 Ų1271.7 Ų71.78%0.07838%0.383CS..PPolyproline II helixtrans-67.3143.1176.230-27.4000108.1V39 L52 Y151P34-V39 HydrophobicContact CB-CG2 3.76Å; P34-V39 HydrophobicContact CG-CG2 3.73Å; P34-L52 HydrophobicContact CG-CD2 4.23Å; P34-L52 WeakPolarHBondContact O-CD2 3.38Å; P34-Y151 HydrophobicContact CB-CE2 4.34Å; P34-Y151 VanDerWaalsContact CD-OH 3.3Å; P34-Y151 WeakPolarHBondContact CD-OH 3.38Å
35S65.7Low69.5Low70 Ų7072.2 Ų72.249%0.4939%0.386SS..PPolyproline II helixtrans-67.5144.8176.3750000108.9H37 S38 V39S35-H37 PolarHBondContact O-N 3.42Å; S35-H37 VanDerWaalsContact O-N 3.09Å; S35-S38 PolarHBondContact N-OG 3.17Å; S35-S38 PolarHBondContact O-N 3.33Å; S35-S38 PolarHBondContact O-OG 3.17Å; S35-S38 WeakPolarHBondContact OG-CB 3.26Å; S35-S38 PolarHBondContact OG-N 3.42Å; S35-S38 VanDerWaalsContact OG-N 3.17Å; S35-S38 PolarHBondContact OG-OG 3.29Å; S35-S38 VanDerWaalsContact OG-OG 3.09Å; S35-V39 PolarHBondContact O-N 2.84Å
36V65.9Low67.9Low99 Ų9975.4 Ų75.460%0.640%0.404SS*.Hα-helixtrans-53.8-35.1178.7179.10000111.2L40 L52V36-L40 HydrophobicContact CG1-CD1 4.27Å; V36-L40 WeakPolarHBondContact O-CG 3.47Å; V36-L40 PolarHBondContact O-N 3.28Å; V36-L52 HydrophobicContact CG2-CD2 4.47Å
37H65.9Low66.2Low121 Ų12177.1 Ų77.156%0.5642%0.417SS*.Hα-helixtrans-63.5-46.1175.1-165.7-80.4000112.9S35 V39 L40 E41S35-H37 PolarHBondContact O-N 3.42Å; S35-H37 VanDerWaalsContact O-N 3.09Å; H37-V39 VanDerWaalsContact C-N 3.31Å; H37-V39 PolarHBondContact O-N 3.29Å; H37-L40 PolarHBondContact O-N 3.2Å; H37-E41 IonicContact CE1-OE1 3.14Å; H37-E41 PolarHBondContact CE1-OE1 2.98Å; H37-E41 IonicContact CE1-OE2 3.31Å; H37-E41 PolarHBondContact CE1-OE2 3.04Å; H37-E41 VanDerWaalsContact CE1-OE2 3.31Å; H37-E41 IonicContact ND1-OE1 3.79Å; H37-E41 IonicContact ND1-OE2 3.16Å; H37-E41 PolarHBondContact ND1-OE2 2.74Å; H37-E41 VanDerWaalsContact ND1-OE2 3.16Å; H37-E41 PolarHBondContact O-N 3.45Å
38S65.3Low64.7Low32 Ų3277.4 Ų77.422%0.22442%0.418CS..Hα-helixtrans-64.8-32.3-179.759.50000113.6S35 L40 Q42 L45S35-S38 PolarHBondContact N-OG 3.17Å; S35-S38 PolarHBondContact O-N 3.33Å; S35-S38 PolarHBondContact O-OG 3.17Å; S35-S38 WeakPolarHBondContact OG-CB 3.26Å; S35-S38 PolarHBondContact OG-N 3.42Å; S35-S38 VanDerWaalsContact OG-N 3.17Å; S35-S38 PolarHBondContact OG-OG 3.29Å; S35-S38 VanDerWaalsContact OG-OG 3.09Å; S38-L40 VanDerWaalsContact C-N 3.32Å; S38-Q42 PolarHBondContact O-N 2.95Å; S38-L45 WeakPolarHBondContact O-CD1 3.45Å
39V64.7Low63.4Low5 Ų577.2 Ų77.23%0.0342%0.423CS..Hα-helixtrans-70-29.2177.3176.50000112.2P34 S35 H37 L52P34-V39 HydrophobicContact CB-CG2 3.76Å; P34-V39 HydrophobicContact CG-CG2 3.73Å; S35-V39 PolarHBondContact O-N 2.84Å; H37-V39 VanDerWaalsContact C-N 3.31Å; H37-V39 PolarHBondContact O-N 3.29Å; V39-L52 HydrophobicContact CG1-CD1 4.48Å; V39-L52 HydrophobicContact CG2-CD1 4.42Å; V39-L52 HydrophobicContact CG2-CD2 4.46Å
40L65.1Low62.5Low137 Ų13777.5 Ų77.572%0.71742%0.416SS*.Hα-helixtrans-82.5-27-178.6-69.7168.7000113.3V36 H37 S38V36-L40 HydrophobicContact CG1-CD1 4.27Å; V36-L40 WeakPolarHBondContact O-CG 3.47Å; V36-L40 PolarHBondContact O-N 3.28Å; H37-L40 PolarHBondContact O-N 3.2Å; S38-L40 VanDerWaalsContact C-N 3.32Å
41E64.2Low61.7Low141 Ų14170.8 Ų70.866%0.65939%0.387SS*.Hα-helixtrans-88.5-26.9-177.6-72.4-176.9139.100114.2H37H37-E41 IonicContact CE1-OE1 3.14Å; H37-E41 PolarHBondContact CE1-OE1 2.98Å; H37-E41 IonicContact CE1-OE2 3.31Å; H37-E41 PolarHBondContact CE1-OE2 3.04Å; H37-E41 VanDerWaalsContact CE1-OE2 3.31Å; H37-E41 IonicContact ND1-OE1 3.79Å; H37-E41 IonicContact ND1-OE2 3.16Å; H37-E41 PolarHBondContact ND1-OE2 2.74Å; H37-E41 VanDerWaalsContact ND1-OE2 3.16Å; H37-E41 PolarHBondContact O-N 3.45Å
42Q61Low60.9Low108 Ų10872.1 Ų72.151%0.50540%0.396SS..  trans-110.3112-178.9-66.3-175.6-19.600110.4S38 C44 L45 T46S38-Q42 PolarHBondContact O-N 2.95Å; Q42-C44 PolarHBondContact O-N 3.4Å; Q42-C44 VanDerWaalsContact O-N 3.07Å; Q42-L45 HydrophobicContact CB-CB 4.34Å; Q42-L45 HydrophobicContact CB-CD1 4.06Å; Q42-L45 HydrophobicContact CB-CG 4.18Å; Q42-L45 PolarHBondContact O-N 2.86Å; Q42-T46 PolarHBondContact O-OG1 2.83Å
43E57.8Low60.5Low187 Ų18775.3 Ų75.387%0.87441%0.406SS*.THydrogen-bonded Turntrans-53.4-29.2176.8-90.4-177.2155.400113.2L45 T46E43-L45 VanDerWaalsContact C-N 3.3Å; E43-L45 PolarHBondContact O-N 3.16Å; E43-T46 WeakPolarHBondContact CA-OG1 3.34Å; E43-T46 PolarHBondContact O-N 3.28Å; E43-T46 PolarHBondContact O-OG1 2.86Å; E43-T46 VanDerWaalsContact O-OG1 3.05Å
44C55.2Low60Low86 Ų8676.4 Ų76.458%0.58142%0.417SS*.THydrogen-bonded Turntrans-72.1-20.6177.160.70000113.9Q42 S47 H48Q42-C44 PolarHBondContact O-N 3.4Å; Q42-C44 VanDerWaalsContact O-N 3.07Å; C44-S47 PolarHBondContact O-OG 2.82Å; C44-H48 PolarHBondContact O-CE1 3.4Å; C44-H48 PolarHBondContact O-ND1 2.94Å
45L55.6Low59.7Low12 Ų1285 Ų856%0.06345%0.453CS..THydrogen-bonded Turntrans-91.2-13.2177.3-71.1176000112.5S38 Q42 E43 S47 H48 Y151S38-L45 WeakPolarHBondContact O-CD1 3.45Å; Q42-L45 HydrophobicContact CB-CB 4.34Å; Q42-L45 HydrophobicContact CB-CD1 4.06Å; Q42-L45 HydrophobicContact CB-CG 4.18Å; Q42-L45 PolarHBondContact O-N 2.86Å; E43-L45 VanDerWaalsContact C-N 3.3Å; E43-L45 PolarHBondContact O-N 3.16Å; L45-S47 PolarHBondContact O-N 3.44Å; L45-H48 WeakPolarHBondContact O-CA 3.46Å; L45-H48 WeakPolarHBondContact O-CB 3.46Å; L45-H48 PolarHBondContact O-N 3.38Å; L45-Y151 HydrophobicContact CD2-CD1 4.25Å; L45-Y151 HydrophobicContact CD2-CG 4.33Å
46T55.5Low59.7Low72 Ų7283 Ų8344%0.44244%0.438SS..G310 helixtrans-67.2-26.4-178.6-25.40000112.4Q42 E43 H48 C49Q42-T46 PolarHBondContact O-OG1 2.83Å; E43-T46 WeakPolarHBondContact CA-OG1 3.34Å; E43-T46 PolarHBondContact O-N 3.28Å; E43-T46 PolarHBondContact O-OG1 2.86Å; E43-T46 VanDerWaalsContact O-OG1 3.05Å; T46-H48 PolarHBondContact O-N 2.88Å; T46-C49 PolarHBondContact O-SG 3.23Å
47S53.7Low59.9Low52 Ų5281.1 Ų81.136%0.36443%0.427SS..G310 helixtrans-73.1-10169.763.20000113.6C44 L45 H123C44-S47 PolarHBondContact O-OG 2.82Å; L45-S47 PolarHBondContact O-N 3.44Å; S47-H123 VanDerWaalsContact CB-CE1 3.48Å; S47-H123 WeakPolarHBondContact CB-CE1 3.49Å; S47-H123 PolarHBondContact OG-CE1 2.98Å; S47-H123 PolarHBondContact OG-ND1 3.24Å
48H55.3Low60.3Low18 Ų1876.3 Ų76.38%0.08341%0.405CS..G310 helixtrans-94.113.2-179.3-57.258.4000112.4C44 L45 T46 V50 A51C44-H48 PolarHBondContact O-CE1 3.4Å; C44-H48 PolarHBondContact O-ND1 2.94Å; L45-H48 WeakPolarHBondContact O-CA 3.46Å; L45-H48 WeakPolarHBondContact O-CB 3.46Å; L45-H48 PolarHBondContact O-N 3.38Å; T46-H48 PolarHBondContact O-N 2.88Å; H48-V50 PolarHBondContact O-N 2.98Å; H48-A51 WeakPolarHBondContact O-CA 3.44Å; H48-A51 WeakPolarHBondContact O-CB 3.5Å; H48-A51 PolarHBondContact O-N 2.89Å
49C55.3Low61.1Low67 Ų6776.2 Ų76.245%0.45340%0.401SS..G310 helixtrans-54.8-23.9178.1-74.40000113.8T46 A51 L52T46-C49 PolarHBondContact O-SG 3.23Å; C49-A51 VanDerWaalsContact C-N 3.31Å; C49-A51 PolarHBondContact O-N 3.14Å; C49-L52 PolarHBondContact O-N 2.98Å
50V57.2Low62.2Low49 Ų4976 Ų7630%0.29740%0.4SS..G310 helixtrans-61.8-39.5171.7-179.10000110.8H48 L52 Q53 V56H48-V50 PolarHBondContact O-N 2.98Å; V50-L52 PolarHBondContact O-N 3.41Å; V50-Q53 WeakPolarHBondContact O-CB 3.39Å; V50-Q53 WeakPolarHBondContact O-CG 3.43Å; V50-Q53 PolarHBondContact O-N 3.1Å; V50-V56 HydrophobicContact CG1-CG1 4.01Å; V50-V56 HydrophobicContact CG1-CG2 4.15Å; V50-V56 WeakPolarHBondContact O-CG2 3.38Å
51A56.5Low63.4Low12 Ų1271.5 Ų71.510%0.09937%0.374CS..G310 helixtrans-64.2-10.5-179.800000114.7H48 C49H48-A51 WeakPolarHBondContact O-CA 3.44Å; H48-A51 WeakPolarHBondContact O-CB 3.5Å; H48-A51 PolarHBondContact O-N 2.89Å; C49-A51 VanDerWaalsContact C-N 3.31Å; C49-A51 PolarHBondContact O-N 3.14Å
52L57.3Low64.8Low62 Ų6264.8 Ų64.833%0.32534%0.343SS..G310 helixtrans-82.9-11173.5-66.2171.2000113.1P34 V36 V39 C49 V50P34-L52 HydrophobicContact CG-CD2 4.23Å; P34-L52 WeakPolarHBondContact O-CD2 3.38Å; V36-L52 HydrophobicContact CG2-CD2 4.47Å; V39-L52 HydrophobicContact CG1-CD1 4.48Å; V39-L52 HydrophobicContact CG2-CD1 4.42Å; V39-L52 HydrophobicContact CG2-CD2 4.46Å; C49-L52 PolarHBondContact O-N 2.98Å; V50-L52 PolarHBondContact O-N 3.41Å
53Q61.6Low66.3Low121 Ų12161.5 Ų61.557%0.56533%0.327SS*.SBendtrans-72.9142.9178.7-61.1177.3-6.700111.3V50 K55 V56V50-Q53 WeakPolarHBondContact O-CB 3.39Å; V50-Q53 WeakPolarHBondContact O-CG 3.43Å; V50-Q53 PolarHBondContact O-N 3.1Å; Q53-K55 PolarHBondContact O-N 3.34Å; Q53-K55 VanDerWaalsContact O-N 3.1Å; Q53-V56 HydrophobicContact CB-CG2 3.72Å
54D56.6Low68.1Low141 Ų14152.6 Ų52.675%0.75429%0.285SS*.THydrogen-bonded Turntrans-68.1-12.8-173.3-82.2-31.9000115.2K33K33-D54 IonicContact NZ-OD1 2.68Å; K33-D54 PolarHBondContact NZ-OD1 2.95Å
55K59.1Low69.9Low193 Ų19349.9 Ų49.984%0.83926%0.264SS*.THydrogen-bonded Turntrans-145.362.1179.8-66.8-174.8-179.8177.10112.2Q53Q53-K55 PolarHBondContact O-N 3.34Å; Q53-K55 VanDerWaalsContact O-N 3.1Å
56V64.3Low71.7Confident28 Ų2849.4 Ų49.417%0.1726%0.262CS..  trans-78.8125.1170.5-172.80000109.4V50 Q53V50-V56 HydrophobicContact CG1-CG1 4.01Å; V50-V56 HydrophobicContact CG1-CG2 4.15Å; V50-V56 WeakPolarHBondContact O-CG2 3.38Å; Q53-V56 HydrophobicContact CB-CG2 3.72Å
57V70.1Confident73.5Confident59 Ų5947.3 Ų47.336%0.35825%0.246SC..  trans-97.1107.2163.4-172.10000106.9F84 L86V57-F84 VanDerWaalsContact CG1-CA 3.47Å; V57-L86 HydrophobicContact CG2-CD2 4.48Å
58H74.3Confident75.3Confident21 Ų2145.4 Ų45.410%0.09723%0.233CC..  trans-70.4143.6179.8-59.8-75.8000110.4F31 I60 Y88 D115 L125F31-H58 AromaticContact CD2-CD2 3.61Å; F31-H58 AromaticContact CD2-NE2 3.8Å; F31-H58 AromaticContact CE2-CD2 3.98Å; H58-I60 HydrophobicContact CB-CD1 3.65Å; H58-I60 HydrophobicContact CB-CG1 3.51Å; H58-Y88 WeakPolarHBondContact CB-OH 3.38Å; H58-Y88 PolarHBondContact N-OH 3.14Å; H58-Y88 PolarHBondContact O-OH 2.84Å; H58-D115 IonicContact CE1-OD2 2.7Å; H58-D115 IonicContact CG-OD2 2.99Å; H58-D115 IonicContact ND1-OD2 3.49Å; H58-D115 PolarHBondContact ND1-OD2 3.36Å; H58-L125 HydrophobicContact CB-CD1 4.08Å
59N82.7Confident76.6Confident29 Ų2950.5 Ų50.516%0.15526%0.261CS..  trans-10697173.2-55.9-52.1000108.7F81 K82 S83 F84 D115 V116N59-F81 HydrophobicContact CB-CE1 3.99Å; N59-F81 HydrophobicContact CB-CE2 3.89Å; N59-F81 HydrophobicContact CB-CZ 3.31Å; N59-F81 WeakPolarHBondContact O-CE2 3.47Å; N59-K82 CarbonylContact C-O 3.53Å; N59-K82 WeakPolarHBondContact CA-O 3.42Å; N59-S83 WeakPolarHBondContact OD1-CA 3.41Å; N59-S83 WeakPolarHBondContact OD1-CB 3.47Å; N59-F84 PolarHBondContact OD1-N 3.14Å; N59-D115 PolarHBondContact N-OD1 3.07Å; N59-D115 WeakPolarHBondContact O-CA 3.49Å; N59-D115 VanDerWaalsContact O-OD1 3.12Å; N59-V116 PolarHBondContact O-N 3.11Å
60I87.1Confident77.9Confident0 Ų049.3 Ų49.30%026%0.26CS..EExtended strand (participates in β ladder)trans-107.2141.6-160.4-57.5-177.7000111.7L27 F31 H58 K82 Y88 W90 I113 L114 L125L27-I60 HydrophobicContact CD2-CD1 4.43Å; F31-I60 HydrophobicContact CE2-CD1 3.61Å; F31-I60 HydrophobicContact CZ-CD1 3.68Å; H58-I60 HydrophobicContact CB-CD1 3.65Å; H58-I60 HydrophobicContact CB-CG1 3.51Å; I60-K82 PolarHBondContact N-O 3.22Å; I60-K82 PolarHBondContact O-N 3.05Å; I60-Y88 HydrophobicContact CB-CD1 4.22Å; I60-Y88 HydrophobicContact CB-CE1 4Å; I60-Y88 HydrophobicContact CD1-CD1 4.17Å; I60-Y88 HydrophobicContact CD1-CD2 4.31Å; I60-Y88 HydrophobicContact CD1-CE1 3.67Å; I60-Y88 HydrophobicContact CD1-CE2 3.84Å; I60-Y88 HydrophobicContact CD1-CG 4.47Å; I60-Y88 HydrophobicContact CG1-CD1 4.44Å; I60-Y88 HydrophobicContact CG1-CE1 3.82Å; I60-W90 HydrophobicContact CG2-CH2 4.17Å; I60-W90 HydrophobicContact CG2-CZ2 4.12Å; I60-I113 HydrophobicContact CD1-CG2 4.34Å; I60-I113 HydrophobicContact CG2-CG2 3.33Å; I60-L114 VanDerWaalsContact CA-O 3.28Å; I60-L114 WeakPolarHBondContact CA-O 3.43Å; I60-L125 HydrophobicContact CD1-CD1 3.56Å; I60-L125 HydrophobicContact CG1-CD1 3.82Å
61Y90.8Very high79.4Confident44 Ų4456.2 Ų56.217%0.17328%0.281CS..EExtended strand (participates in β ladder)trans-131.8162.3155.369.2-81.4000110.3H78 F81 L114 V116Y61-H78 HydrophobicContact CD2-CB 4.18Å; Y61-H78 AromaticContact CD2-ND1 3.53Å; Y61-H78 AromaticContact CE2-CE1 3.69Å; Y61-H78 AromaticContact CE2-ND1 3.22Å; Y61-H78 WeakPolarHBondContact CE2-ND1 3.46Å; Y61-F81 HydrophobicContact CD1-CD2 4.07Å; Y61-F81 HydrophobicContact CD1-CE2 4.4Å; Y61-L114 HydrophobicContact CD1-CB 4.24Å; Y61-L114 HydrophobicContact CD2-CD1 4.45Å; Y61-L114 HydrophobicContact CE1-CB 3.76Å; Y61-L114 HydrophobicContact CE1-CD1 4.48Å; Y61-L114 HydrophobicContact CE2-CB 4.11Å; Y61-L114 HydrophobicContact CE2-CD1 3.54Å; Y61-L114 HydrophobicContact CE2-CG 4.45Å; Y61-L114 PolarHBondContact N-O 3.04Å; Y61-L114 PolarHBondContact O-N 3.37Å; Y61-L114 WeakPolarHBondContact OH-CD1 3.34Å; Y61-V116 HydrophobicContact CD1-CG2 3.88Å; Y61-V116 HydrophobicContact CE1-CG2 3.44Å; Y61-V116 VanDerWaalsContact CE1-CG2 3.44Å
62L92.8Very high81Confident0 Ų059.4 Ų59.40%030%0.301CS..EExtended strand (participates in β ladder)trans-106.3132.5177.9-71.9157.6000109.6V24 H78 T79 W90 I113 L231V24-L62 HydrophobicContact CG1-CD1 3.38Å; L62-H78 CarbonylContact O-C 3.47Å; L62-H78 WeakPolarHBondContact O-CA 3.46Å; L62-T79 HydrophobicContact CB-CG2 3.83Å; L62-T79 HydrophobicContact CD1-CG2 4.17Å; L62-T79 PolarHBondContact N-OG1 2.78Å; L62-T79 PolarHBondContact O-N 3.09Å; L62-W90 HydrophobicContact CD1-CD2 4.07Å; L62-W90 HydrophobicContact CD1-CE3 3.78Å; L62-W90 HydrophobicContact CD1-CH2 3.6Å; L62-W90 HydrophobicContact CD1-CZ2 3.9Å; L62-W90 HydrophobicContact CD1-CZ3 3.54Å; L62-W90 HydrophobicContact CG-CH2 4.01Å; L62-W90 HydrophobicContact CG-CZ2 4.13Å; L62-W90 HydrophobicContact CG-CZ3 4.43Å; L62-I113 HydrophobicContact CD2-CB 4.09Å; L62-I113 HydrophobicContact CD2-CD1 4Å; L62-I113 HydrophobicContact CD2-CG1 3.53Å; L62-I113 HydrophobicContact CD2-CG2 4.26Å; L62-L231 HydrophobicContact CD1-CD1 3.78Å; L62-L231 HydrophobicContact CD1-CD2 4.48Å; L62-L231 HydrophobicContact CD2-CD1 4.4Å; L62-L231 HydrophobicContact CD2-CD2 4.21Å
63H93.2Very high82.4Confident38 Ų3860.2 Ų60.218%0.17630%0.302CS..EExtended strand (participates in β ladder)trans-98124169.2168.1-87.4000109P76 H78 F111 T112 L114H63-P76 WeakPolarHBondContact NE2-CB 3.27Å; H63-P76 WeakPolarHBondContact NE2-CG 3.45Å; H63-H78 AromaticContact CD2-CE1 3.38Å; H63-H78 PolarHBondContact CD2-CE1 2.87Å; H63-H78 AromaticContact CD2-ND1 3.97Å; H63-F111 CarbonylContact O-C 3.54Å; H63-F111 VanDerWaalsContact O-CA 3.3Å; H63-F111 WeakPolarHBondContact O-CA 3.49Å; H63-T112 PolarHBondContact N-O 3.11Å; H63-T112 PolarHBondContact O-N 2.91Å; H63-L114 HydrophobicContact CB-CD1 3.68Å
64C94.9Very high83.5Confident0 Ų056.5 Ų56.50%030%0.295CS..EExtended strand (participates in β ladder)trans-121.5129.4-176.9-174.40000110.8P76 V77 L94 L109 A110 F111C64-P76 WeakPolarHBondContact O-CA 3.33Å; C64-V77 WeakPolarHBondContact CB-O 3.42Å; C64-V77 PolarHBondContact N-O 3.34Å; C64-V77 PolarHBondContact O-N 3.23Å; C64-L94 HydrophobicContact CB-CD1 3.69Å; C64-L109 VanDerWaalsContact SG-CD1 3.53Å; C64-A110 WeakPolarHBondContact CA-O 3.21Å; C64-F111 HydrophobicContact CB-CD1 3.91Å; C64-F111 HydrophobicContact CB-CE1 3.94Å; C64-F111 WeakPolarHBondContact SG-CE1 3.49Å
65Q93.4Very high84.9Confident30 Ų3056.1 Ų56.114%0.1429%0.293CS..EExtended strand (participates in β ladder)trans-143.5146.5179.9-169.3169.526.300111.9F67 P72 G74 P76 A110Q65-F67 HydrophobicContact CB-CE2 4.03Å; Q65-F67 HydrophobicContact CG-CE2 4.05Å; Q65-P72 VanDerWaalsContact NE2-CB 3.31Å; Q65-G74 PolarHBondContact NE2-O 3.13Å; Q65-P76 HydrophobicContact CB-CB 4.24Å; Q65-P76 HydrophobicContact CG-CB 4.43Å; Q65-A110 PolarHBondContact N-O 2.83Å; Q65-A110 PolarHBondContact O-N 3.39Å
66I94.2Very high86.4Confident1 Ų149.2 Ų49.21%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-93.1143173.8-68.1175.1000109.5V20 F73 L96 I98 L103 C108 L109 L132V20-I66 HydrophobicContact CB-CD1 4.13Å; V20-I66 HydrophobicContact CG1-CD1 3.9Å; V20-I66 HydrophobicContact CG2-CD1 4.26Å; I66-F73 HydrophobicContact CG2-CB 4.36Å; I66-F73 PolarHBondContact O-N 2.94Å; I66-F73 VanDerWaalsContact O-O 3.12Å; I66-L96 HydrophobicContact CD1-CB 4.21Å; I66-L96 HydrophobicContact CD1-CD1 3.87Å; I66-L96 HydrophobicContact CD1-CD2 4.46Å; I66-L96 HydrophobicContact CD1-CG 4.39Å; I66-L96 HydrophobicContact CG1-CD1 4.15Å; I66-L96 HydrophobicContact CG1-CD2 4.27Å; I66-I98 HydrophobicContact CB-CD1 3.99Å; I66-I98 HydrophobicContact CD1-CD1 4.07Å; I66-I98 HydrophobicContact CG2-CD1 4.37Å; I66-L103 HydrophobicContact CD1-CD2 4.15Å; I66-L103 HydrophobicContact CG2-CD2 4.01Å; I66-C108 CarbonylContact C-O 3.54Å; I66-C108 WeakPolarHBondContact CA-O 3.3Å; I66-L109 HydrophobicContact CD1-CD1 4.46Å; I66-L109 HydrophobicContact CG1-CD1 3.59Å; I66-L132 HydrophobicContact CD1-CD1 4.14Å; I66-L132 HydrophobicContact CG1-CD1 4.44Å
67F93.5Very high87.8Confident28 Ų2849.3 Ų49.312%0.12327%0.268CS..EExtended strand (participates in β ladder)trans-123133.4173.3-72.7-108.2000109.5Q65 R71 P72 A107 C108 A110 G156Q65-F67 HydrophobicContact CB-CE2 4.03Å; Q65-F67 HydrophobicContact CG-CE2 4.05Å; F67-R71 CarbonylContact C-O 3.12Å; F67-R71 WeakPolarHBondContact CA-O 3.37Å; F67-R71 VanDerWaalsContact CD1-C 3.47Å; F67-P72 HydrophobicContact CD1-CB 4.32Å; F67-P72 HydrophobicContact CE1-CB 3.94Å; F67-P72 HydrophobicContact CE1-CG 4.35Å; F67-P72 HydrophobicContact CZ-CB 4.16Å; F67-A107 CarbonylContact O-C 3.57Å; F67-A107 VanDerWaalsContact O-CA 3.28Å; F67-A107 WeakPolarHBondContact O-CA 3.46Å; F67-C108 PolarHBondContact N-O 2.92Å; F67-C108 PolarHBondContact O-N 2.79Å; F67-A110 HydrophobicContact CD2-CB 4.04Å; F67-A110 HydrophobicContact CE2-CB 3.79Å; F67-G156 VanDerWaalsContact CB-O 3.27Å; F67-G156 WeakPolarHBondContact CB-O 3.45Å
68C90.6Very high88.9Confident12 Ų1250.7 Ų50.78%0.08127%0.27CS..EExtended strand (participates in β ladder)trans-126.7132.4175.8-73.40000108.2G70 R71 F73 S104C68-G70 PolarHBondContact O-N 3.26Å; C68-R71 PolarHBondContact N-O 3.36Å; C68-R71 PolarHBondContact O-N 3.06Å; C68-F73 HydrophobicContact CB-CB 3.99Å; C68-F73 HydrophobicContact CB-CD2 4.42Å; C68-F73 HydrophobicContact CB-CG 4.09Å; C68-S104 VanDerWaalsContact CB-OG 3.22Å; C68-S104 WeakPolarHBondContact CB-OG 3.42Å; C68-S104 PolarHBondContact SG-OG 3.08Å
69N83.9Confident89.8Confident126 Ų12650.2 Ų50.267%0.67427%0.269SS*.THydrogen-bonded Turntrans51.937.5-174.5-61.6-44.5000113.1R71 D106N69-R71 PolarHBondContact O-N 3.34Å; N69-D106 WeakPolarHBondContact CA-OD2 3.16Å; N69-D106 PolarHBondContact N-OD1 3.43Å; N69-D106 PolarHBondContact N-OD2 3.17Å; N69-D106 PolarHBondContact OD1-OD1 3.12Å; N69-D106 PolarHBondContact OD1-OD2 2.68Å
70G82.3Confident90.1Very high42 Ų4251.2 Ų51.243%0.43328%0.278SS..THydrogen-bonded Turntrans69.310.9-178.600000115.5C68C68-G70 PolarHBondContact O-N 3.26Å
71R88Confident90Very high194 Ų19456.1 Ų56.173%0.73230%0.3SS*.EExtended strand (participates in β ladder)trans-116.7145.1178.3-65-177.3-178.5-178.80.4111.1F67 C68 N69 F73F67-R71 CarbonylContact C-O 3.12Å; F67-R71 WeakPolarHBondContact CA-O 3.37Å; F67-R71 VanDerWaalsContact CD1-C 3.47Å; C68-R71 PolarHBondContact N-O 3.36Å; C68-R71 PolarHBondContact O-N 3.06Å; N69-R71 PolarHBondContact O-N 3.34Å; R71-F73 PolarHBondContact O-N 3.34Å
72P89.4Confident89.7Confident79 Ų7956.9 Ų56.951%0.51330%0.304SS..EExtended strand (participates in β ladder)trans-59.5125.6174.823.8-31.7000109.7Q65 F67Q65-P72 VanDerWaalsContact NE2-CB 3.31Å; F67-P72 HydrophobicContact CD1-CB 4.32Å; F67-P72 HydrophobicContact CE1-CB 3.94Å; F67-P72 HydrophobicContact CE1-CG 4.35Å; F67-P72 HydrophobicContact CZ-CB 4.16Å
73F88.3Confident89Confident79 Ų7959.1 Ų59.135%0.34632%0.32SS..EExtended strand (participates in β ladder)trans-113.9119.8179.4-163.2-117.8000107.5I66 C68 R71 I98 D102I66-F73 HydrophobicContact CG2-CB 4.36Å; I66-F73 PolarHBondContact O-N 2.94Å; I66-F73 VanDerWaalsContact O-O 3.12Å; C68-F73 HydrophobicContact CB-CB 3.99Å; C68-F73 HydrophobicContact CB-CD2 4.42Å; C68-F73 HydrophobicContact CB-CG 4.09Å; R71-F73 PolarHBondContact O-N 3.34Å; F73-I98 VanDerWaalsContact C-CD1 3.48Å; F73-I98 HydrophobicContact CB-CD1 4.36Å; F73-I98 HydrophobicContact CD1-CD1 3.65Å; F73-I98 HydrophobicContact CD1-CG1 4.37Å; F73-I98 HydrophobicContact CD1-CG2 3.82Å; F73-I98 HydrophobicContact CE1-CD1 4.38Å; F73-I98 HydrophobicContact CE1-CG2 3.58Å; F73-I98 HydrophobicContact CG-CD1 4.31Å; F73-I98 WeakPolarHBondContact O-CD1 3.18Å; F73-D102 HydrophobicContact CE1-CB 4.33Å; F73-D102 WeakPolarHBondContact CE1-O 3.36Å
74G83.3Confident87.8Confident42 Ų4265.5 Ų65.543%0.43335%0.347SS..EExtended strand (participates in β ladder)trans74.6173-175.800000115.4Q65Q65-G74 PolarHBondContact NE2-O 3.13Å
75L87.3Confident86.7Confident133 Ų13367.6 Ų67.670%0.69636%0.36SS*.EExtended strand (participates in β ladder)trans-75.7144.2176.8-65.8172.2000110.9P97L75-P97 HydrophobicContact CB-CG 4.19Å
76P90.1Very high85.5Confident48 Ų4873.3 Ų73.331%0.31239%0.391SS..EExtended strand (participates in β ladder)trans-69.1154.4174.530-34.6000112.1H63 C64 Q65H63-P76 WeakPolarHBondContact NE2-CB 3.27Å; H63-P76 WeakPolarHBondContact NE2-CG 3.45Å; C64-P76 WeakPolarHBondContact O-CA 3.33Å; Q65-P76 HydrophobicContact CB-CB 4.24Å; Q65-P76 HydrophobicContact CG-CB 4.43Å
77V92.9Very high84.7Confident31 Ų3183.7 Ų83.719%0.18843%0.43CS..EExtended strand (participates in β ladder)trans-125.8143.6178.6-179.10000109.4C64 L94 L96C64-V77 WeakPolarHBondContact CB-O 3.42Å; C64-V77 PolarHBondContact N-O 3.34Å; C64-V77 PolarHBondContact O-N 3.23Å; V77-L94 HydrophobicContact CG1-CB 4.32Å; V77-L94 HydrophobicContact CG1-CD2 4.19Å; V77-L96 HydrophobicContact CB-CD2 4.37Å; V77-L96 HydrophobicContact CG2-CD2 4.09Å; V77-L96 HydrophobicContact CG2-CG 4.43Å
78H93Very high84.3Confident87 Ų8783.3 Ų83.340%0.40343%0.428SS..EExtended strand (participates in β ladder)trans-113.7150.7-176.4-57.6-85.8000112.3Y61 L62 H63 L94Y61-H78 HydrophobicContact CD2-CB 4.18Å; Y61-H78 AromaticContact CD2-ND1 3.53Å; Y61-H78 AromaticContact CE2-CE1 3.69Å; Y61-H78 AromaticContact CE2-ND1 3.22Å; Y61-H78 WeakPolarHBondContact CE2-ND1 3.46Å; L62-H78 CarbonylContact O-C 3.47Å; L62-H78 WeakPolarHBondContact O-CA 3.46Å; H63-H78 AromaticContact CD2-CE1 3.38Å; H63-H78 PolarHBondContact CD2-CE1 2.87Å; H63-H78 AromaticContact CD2-ND1 3.97Å; H78-L94 WeakPolarHBondContact O-CD2 3.48Å
79T93.6Very high84.2Confident11 Ų1186.3 Ų86.37%0.06744%0.443CS..PPolyproline II helixtrans-78165.6165.760.20000111.8V24 L62 W90 L94V24-T79 HydrophobicContact CB-CG2 4.05Å; V24-T79 HydrophobicContact CG1-CG2 4.17Å; V24-T79 HydrophobicContact CG2-CG2 3.83Å; L62-T79 HydrophobicContact CB-CG2 3.83Å; L62-T79 HydrophobicContact CD1-CG2 4.17Å; L62-T79 PolarHBondContact N-OG1 2.78Å; L62-T79 PolarHBondContact O-N 3.09Å; T79-W90 VanDerWaalsContact CB-CD1 3.48Å; T79-W90 HydrophobicContact CG2-CG 4.3Å; T79-W90 PolarHBondContact OG1-NE1 2.94Å; T79-W90 VanDerWaalsContact OG1-NE1 3.09Å; T79-L94 HydrophobicContact CG2-CD1 3.89Å; T79-L94 HydrophobicContact CG2-CD2 3.88Å; T79-L94 HydrophobicContact CG2-CG 4.19Å
80S89.3Confident84.5Confident50 Ų5081.1 Ų81.135%0.3541%0.414SS..PPolyproline II helixtrans-55.1140.916554.40000112W90 E92S80-W90 VanDerWaalsContact O-CD1 3.3Å; S80-W90 PolarHBondContact O-NE1 3.47Å; S80-E92 VanDerWaalsContact CB-OE2 3.28Å; S80-E92 WeakPolarHBondContact CB-OE2 3.41Å; S80-E92 PolarHBondContact N-OE1 3.29Å; S80-E92 PolarHBondContact N-OE2 3Å; S80-E92 PolarHBondContact OG-OE2 3.42Å
81F85.6Confident84.8Confident103 Ų10383.6 Ų83.645%0.45242%0.418SS..PPolyproline II helixtrans-69134178.3-173.3-110.3000111.4N59 Y61 V116N59-F81 HydrophobicContact CB-CE1 3.99Å; N59-F81 HydrophobicContact CB-CE2 3.89Å; N59-F81 HydrophobicContact CB-CZ 3.31Å; N59-F81 WeakPolarHBondContact O-CE2 3.47Å; Y61-F81 HydrophobicContact CD1-CD2 4.07Å; Y61-F81 HydrophobicContact CD1-CE2 4.4Å; F81-V116 HydrophobicContact CE2-CB 3.86Å; F81-V116 HydrophobicContact CE2-CG2 3.8Å; F81-V116 HydrophobicContact CZ-CB 4.16Å
82K84.1Confident85.1Confident60 Ų6076.9 Ų76.926%0.26140%0.395SS..BIsolated β-bridgetrans-120.2106.6178.3-64.6-71.4173.9167.10109.7N59 I60 T85 Y88 N89 W90N59-K82 CarbonylContact C-O 3.53Å; N59-K82 WeakPolarHBondContact CA-O 3.42Å; I60-K82 PolarHBondContact N-O 3.22Å; I60-K82 PolarHBondContact O-N 3.05Å; K82-T85 HydrophobicContact CB-CG2 4.42Å; K82-Y88 HydrophobicContact CB-CD1 4.03Å; K82-N89 VanDerWaalsContact CE-O 3.28Å; K82-N89 WeakPolarHBondContact CE-O 3.41Å; K82-N89 PolarHBondContact NZ-O 3.4Å; K82-W90 HydrophobicContact CB-CZ2 4.48Å; K82-W90 HydrophobicContact CG-CD2 4.4Å; K82-W90 HydrophobicContact CG-CZ2 4.09Å
83S78.2Confident85.3Confident48 Ų4878.2 Ų78.234%0.33639%0.389SS..  trans-108.2152.9178.656.40000112.3N59 T85N59-S83 WeakPolarHBondContact OD1-CA 3.41Å; N59-S83 WeakPolarHBondContact OD1-CB 3.47Å; S83-T85 VanDerWaalsContact C-N 3.32Å; S83-T85 PolarHBondContact O-N 2.95Å
84F67.7Low85.6Confident171 Ų17174.6 Ų74.675%0.7537%0.374SS*.SBendtrans58.432.2169.1-47.3-68.3000115.8V57 N59V57-F84 VanDerWaalsContact CG1-CA 3.47Å; N59-F84 PolarHBondContact OD1-N 3.14Å
85T71.5Confident86.2Confident44 Ų4475.4 Ų75.427%0.2737%0.37SS..  trans-126.7144.6177.6-177.40000112.3K82 S83 R87 Y88K82-T85 HydrophobicContact CB-CG2 4.42Å; S83-T85 VanDerWaalsContact C-N 3.32Å; S83-T85 PolarHBondContact O-N 2.95Å; T85-R87 WeakPolarHBondContact CG2-O 3.46Å; T85-R87 PolarHBondContact OG1-N 3.17Å; T85-R87 VanDerWaalsContact OG1-N 3.1Å; T85-R87 PolarHBondContact OG1-O 3Å; T85-Y88 HydrophobicContact CG2-CD1 3.82Å; T85-Y88 HydrophobicContact CG2-CE1 3.85Å; T85-Y88 PolarHBondContact O-OH 3.41Å
86L69.2Low86.5Confident151 Ų15169.1 Ų69.179%0.79134%0.337SS*.SBendtrans-89.4-9.3171.2-65.6172.7000112.7V57V57-L86 HydrophobicContact CG2-CD2 4.48Å
87R77.1Confident86.5Confident218 Ų21870.3 Ų70.382%0.82335%0.345SS*.SBendtrans-125.6112.3176.8-69.6-174.2-179.7-174.1-0.3109.3T85T85-R87 WeakPolarHBondContact CG2-O 3.46Å; T85-R87 PolarHBondContact OG1-N 3.17Å; T85-R87 VanDerWaalsContact OG1-N 3.1Å; T85-R87 PolarHBondContact OG1-O 3Å
88Y84.6Confident86.5Confident21 Ų2169.3 Ų69.38%0.08234%0.338CS..EExtended strand (participates in β ladder)trans-91.8107.4-179.6-58.8-80.6000109.4S26 L27 H58 I60 K82 T85 W90S26-Y88 CarbonylContact C-O 3.58Å; S26-Y88 VanDerWaalsContact CA-O 3.23Å; S26-Y88 WeakPolarHBondContact CA-O 3.33Å; L27-Y88 HydrophobicContact CD2-CD2 4.32Å; L27-Y88 PolarHBondContact N-O 3Å; H58-Y88 WeakPolarHBondContact CB-OH 3.38Å; H58-Y88 PolarHBondContact N-OH 3.14Å; H58-Y88 PolarHBondContact O-OH 2.84Å; I60-Y88 HydrophobicContact CB-CD1 4.22Å; I60-Y88 HydrophobicContact CB-CE1 4Å; I60-Y88 HydrophobicContact CD1-CD1 4.17Å; I60-Y88 HydrophobicContact CD1-CD2 4.31Å; I60-Y88 HydrophobicContact CD1-CE1 3.67Å; I60-Y88 HydrophobicContact CD1-CE2 3.84Å; I60-Y88 HydrophobicContact CD1-CG 4.47Å; I60-Y88 HydrophobicContact CG1-CD1 4.44Å; I60-Y88 HydrophobicContact CG1-CE1 3.82Å; K82-Y88 HydrophobicContact CB-CD1 4.03Å; T85-Y88 HydrophobicContact CG2-CD1 3.82Å; T85-Y88 HydrophobicContact CG2-CE1 3.85Å; T85-Y88 PolarHBondContact O-OH 3.41Å; Y88-W90 HydrophobicContact CG-CH2 4.4Å
89N88.8Confident86.5Confident75 Ų7568.8 Ų68.840%0.40134%0.335SS..EExtended strand (participates in β ladder)trans-131.3118.3174.1-170.7-21.3000109.2G25 K82 N91G25-N89 PolarHBondContact O-OD1 2.75Å; K82-N89 VanDerWaalsContact CE-O 3.28Å; K82-N89 WeakPolarHBondContact CE-O 3.41Å; K82-N89 PolarHBondContact NZ-O 3.4Å; N89-N91 PolarHBondContact OD1-N 2.97Å; N89-N91 PolarHBondContact OD1-ND2 3.4Å
90W90.2Very high86.5Confident17 Ų1768.9 Ų68.96%0.06433%0.334CS..EExtended strand (participates in β ladder)trans-94-49.4176.9-71.2-88000111.3V24 G25 L27 I60 L62 T79 S80 K82 Y88 E92V24-W90 HydrophobicContact CB-CB 4.4Å; V24-W90 HydrophobicContact CG1-CB 4.16Å; V24-W90 HydrophobicContact CG1-CD2 4.1Å; V24-W90 HydrophobicContact CG1-CE3 3.77Å; V24-W90 HydrophobicContact CG1-CG 4.29Å; G25-W90 PolarHBondContact O-N 3.4Å; L27-W90 HydrophobicContact CB-CH2 4.26Å; L27-W90 HydrophobicContact CB-CZ3 3.75Å; I60-W90 HydrophobicContact CG2-CH2 4.17Å; I60-W90 HydrophobicContact CG2-CZ2 4.12Å; L62-W90 HydrophobicContact CD1-CD2 4.07Å; L62-W90 HydrophobicContact CD1-CE3 3.78Å; L62-W90 HydrophobicContact CD1-CH2 3.6Å; L62-W90 HydrophobicContact CD1-CZ2 3.9Å; L62-W90 HydrophobicContact CD1-CZ3 3.54Å; L62-W90 HydrophobicContact CG-CH2 4.01Å; L62-W90 HydrophobicContact CG-CZ2 4.13Å; L62-W90 HydrophobicContact CG-CZ3 4.43Å; T79-W90 VanDerWaalsContact CB-CD1 3.48Å; T79-W90 HydrophobicContact CG2-CG 4.3Å; T79-W90 PolarHBondContact OG1-NE1 2.94Å; T79-W90 VanDerWaalsContact OG1-NE1 3.09Å; S80-W90 VanDerWaalsContact O-CD1 3.3Å; S80-W90 PolarHBondContact O-NE1 3.47Å; K82-W90 HydrophobicContact CB-CZ2 4.48Å; K82-W90 HydrophobicContact CG-CD2 4.4Å; K82-W90 HydrophobicContact CG-CZ2 4.09Å; Y88-W90 HydrophobicContact CG-CH2 4.4Å; W90-E92 HydrophobicContact CB-CB 3.94Å; W90-E92 PolarHBondContact O-N 3.42Å
91N89.7Confident86.6Confident94 Ų9468.3 Ų68.350%0.50333%0.33SS..EExtended strand (participates in β ladder)trans49.436.5-169.5-86.4-30.3000112.8V24 N89V24-N91 CarbonylContact O-C 3.54Å; V24-N91 WeakPolarHBondContact O-CA 3.49Å; V24-N91 PolarHBondContact O-N 3.25Å; N89-N91 PolarHBondContact OD1-N 2.97Å; N89-N91 PolarHBondContact OD1-ND2 3.4Å
92E92.8Very high86.8Confident53 Ų5367.5 Ų67.525%0.24833%0.33CS..EExtended strand (participates in β ladder)trans-110.8132.6-167.1-174.6-178.6158.100111K23 V24 S80 W90 L94K23-E92 CarbonylContact C-O 3.55Å; K23-E92 VanDerWaalsContact CA-O 3.27Å; K23-E92 WeakPolarHBondContact CA-O 3.49Å; K23-E92 WeakPolarHBondContact CG-O 3.35Å; V24-E92 PolarHBondContact N-O 3.3Å; V24-E92 PolarHBondContact O-N 2.96Å; S80-E92 VanDerWaalsContact CB-OE2 3.28Å; S80-E92 WeakPolarHBondContact CB-OE2 3.41Å; S80-E92 PolarHBondContact N-OE1 3.29Å; S80-E92 PolarHBondContact N-OE2 3Å; S80-E92 PolarHBondContact OG-OE2 3.42Å; W90-E92 HydrophobicContact CB-CB 3.94Å; W90-E92 PolarHBondContact O-N 3.42Å; E92-L94 HydrophobicContact CG-CD2 4.46Å
93W94.3Very high87.1Confident106 Ų10665 Ų6540%0.40232%0.319SS..EExtended strand (participates in β ladder)trans-85.3112.5172.6-78.998.8000110.6K21 K23 E234 P236K21-W93 HydrophobicContact CB-CE3 3.93Å; K21-W93 HydrophobicContact CB-CZ3 4.18Å; K23-W93 HydrophobicContact CB-CD2 3.59Å; K23-W93 HydrophobicContact CB-CE3 3.68Å; K23-W93 HydrophobicContact CB-CG 4.15Å; K23-W93 HydrophobicContact CB-CH2 3.94Å; K23-W93 HydrophobicContact CB-CZ2 3.88Å; K23-W93 HydrophobicContact CB-CZ3 3.86Å; K23-W93 HydrophobicContact CD-CD2 4.44Å; K23-W93 HydrophobicContact CD-CZ2 4.08Å; K23-W93 HydrophobicContact CG-CD2 4.08Å; K23-W93 HydrophobicContact CG-CG 4.18Å; K23-W93 HydrophobicContact CG-CZ2 4.47Å; W93-E234 HydrophobicContact CH2-CG 4.45Å; W93-P236 HydrophobicContact CH2-CB 4.21Å; W93-P236 HydrophobicContact CZ3-CB 4.29Å
94L95Very high87.7Confident3 Ų363.6 Ų63.62%0.01631%0.31CS..EExtended strand (participates in β ladder)trans-81.6130.7168.1-57.7-174.6000109.8K21 V22 V24 C64 V77 H78 T79 E92K21-L94 VanDerWaalsContact CA-O 3.31Å; K21-L94 WeakPolarHBondContact CA-O 3.27Å; V22-L94 HydrophobicContact CG1-CB 4.08Å; V22-L94 PolarHBondContact N-O 3.28Å; V22-L94 PolarHBondContact O-N 3.25Å; V24-L94 HydrophobicContact CG2-CD1 3.78Å; V24-L94 HydrophobicContact CG2-CG 4.1Å; C64-L94 HydrophobicContact CB-CD1 3.69Å; V77-L94 HydrophobicContact CG1-CB 4.32Å; V77-L94 HydrophobicContact CG1-CD2 4.19Å; H78-L94 WeakPolarHBondContact O-CD2 3.48Å; T79-L94 HydrophobicContact CG2-CD1 3.89Å; T79-L94 HydrophobicContact CG2-CD2 3.88Å; T79-L94 HydrophobicContact CG2-CG 4.19Å; E92-L94 HydrophobicContact CG-CD2 4.46Å
95V94.8Very high88.7Confident60 Ų6062.8 Ų62.836%0.36430%0.302SS..EExtended strand (participates in β ladder)trans-109.5110.3174.6-174.40000108.1L19 K21L19-V95 HydrophobicContact CB-CG1 3.83Å; L19-V95 HydrophobicContact CD1-CG1 3.8Å; L19-V95 HydrophobicContact CG-CG1 4.48Å; K21-V95 HydrophobicContact CD-CG2 4.03Å; K21-V95 HydrophobicContact CG-CB 4.49Å; K21-V95 HydrophobicContact CG-CG1 4.27Å; K21-V95 HydrophobicContact CG-CG2 4.06Å
96L93.9Very high89.6Confident1 Ų162.5 Ų62.51%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-82.1141.3179.9-67.7135.5000109.6V20 V22 I66 V77 I98 L109V20-L96 HydrophobicContact CB-CB 4.33Å; V20-L96 HydrophobicContact CB-CD1 4.48Å; V20-L96 HydrophobicContact CG1-CD1 4.04Å; V20-L96 PolarHBondContact O-N 3.15Å; V22-L96 HydrophobicContact CG1-CD1 4.31Å; I66-L96 HydrophobicContact CD1-CB 4.21Å; I66-L96 HydrophobicContact CD1-CD1 3.87Å; I66-L96 HydrophobicContact CD1-CD2 4.46Å; I66-L96 HydrophobicContact CD1-CG 4.39Å; I66-L96 HydrophobicContact CG1-CD1 4.15Å; I66-L96 HydrophobicContact CG1-CD2 4.27Å; V77-L96 HydrophobicContact CB-CD2 4.37Å; V77-L96 HydrophobicContact CG2-CD2 4.09Å; V77-L96 HydrophobicContact CG2-CG 4.43Å; L96-I98 PolarHBondContact O-N 3.41Å; L96-L109 HydrophobicContact CD1-CD1 3.9Å
97P91Very high90.8Very high72 Ų7255.3 Ų55.347%0.46826%0.261SS..EExtended strand (participates in β ladder)trans-77.543.3-175.933.7-37.1000112.6L75L75-P97 HydrophobicContact CB-CG 4.19Å
98I91.9Very high91.6Very high10 Ų1045.1 Ų45.15%0.05122%0.223CC..EExtended strand (participates in β ladder)trans-139.3141-176.2-54.8173.5000108.2L19 V20 I66 F73 L96 D102 L103L19-I98 CarbonylContact C-O 3.51Å; L19-I98 VanDerWaalsContact CA-O 3.29Å; L19-I98 WeakPolarHBondContact CA-O 3.49Å; V20-I98 WeakPolarHBondContact CG2-O 3.38Å; V20-I98 PolarHBondContact N-O 3.45Å; I66-I98 HydrophobicContact CB-CD1 3.99Å; I66-I98 HydrophobicContact CD1-CD1 4.07Å; I66-I98 HydrophobicContact CG2-CD1 4.37Å; F73-I98 VanDerWaalsContact C-CD1 3.48Å; F73-I98 HydrophobicContact CB-CD1 4.36Å; F73-I98 HydrophobicContact CD1-CD1 3.65Å; F73-I98 HydrophobicContact CD1-CG1 4.37Å; F73-I98 HydrophobicContact CD1-CG2 3.82Å; F73-I98 HydrophobicContact CE1-CD1 4.38Å; F73-I98 HydrophobicContact CE1-CG2 3.58Å; F73-I98 HydrophobicContact CG-CD1 4.31Å; F73-I98 WeakPolarHBondContact O-CD1 3.18Å; L96-I98 PolarHBondContact O-N 3.41Å; I98-D102 HydrophobicContact CG2-CB 4.43Å; I98-L103 HydrophobicContact CG2-CD2 3.94Å
99K93.6Very high92.1Very high77 Ų7744.2 Ų44.234%0.33522%0.22SC..EExtended strand (participates in β ladder)trans-91.2154.4178.4-58.3167.7175.4-172.90111.9N17 R18 L19 C101 D102N17-K99 WeakPolarHBondContact OD1-CD 3.43Å; N17-K99 WeakPolarHBondContact OD1-CE 3.43Å; N17-K99 PolarHBondContact OD1-NZ 3.32Å; R18-K99 CarbonylContact O-C 3.54Å; R18-K99 WeakPolarHBondContact O-CA 3.3Å; L19-K99 HydrophobicContact CD2-CG 4.1Å; K99-C101 VanDerWaalsContact CB-SG 3.55Å; K99-C101 PolarHBondContact O-N 2.97Å; K99-D102 WeakPolarHBondContact CB-OD2 3.43Å; K99-D102 PolarHBondContact O-N 3.01Å; K99-D102 VanDerWaalsContact O-N 3.13Å
100Y92.7Very high92.4Very high12 Ų1240.7 Ų40.75%0.04720%0.201CC..G310 helixtrans-60.7-31.3174.7-73.4-74.3000113.4V16 R18 L19 V20 K21 D102 L103 L139 P236 M247V16-Y100 HydrophobicContact CG1-CD2 3.89Å; V16-Y100 HydrophobicContact CG1-CG 4.22Å; R18-Y100 HydrophobicContact CB-CD2 4.39Å; R18-Y100 VanDerWaalsContact O-CD2 3.26Å; R18-Y100 WeakPolarHBondContact O-CD2 3.28Å; R18-Y100 PolarHBondContact O-N 3.35Å; L19-Y100 WeakPolarHBondContact O-CE2 3.48Å; V20-Y100 HydrophobicContact CB-CE1 4.34Å; V20-Y100 HydrophobicContact CG1-CE1 4.11Å; V20-Y100 HydrophobicContact CG2-CD1 3.93Å; V20-Y100 HydrophobicContact CG2-CD2 4.48Å; V20-Y100 HydrophobicContact CG2-CE1 3.95Å; V20-Y100 HydrophobicContact CG2-CE2 4.5Å; V20-Y100 HydrophobicContact CG2-CG 4.2Å; K21-Y100 PolarHBondContact N-OH 3.19Å; Y100-D102 PolarHBondContact O-N 2.79Å; Y100-L103 HydrophobicContact CD1-CD1 4Å; Y100-L139 HydrophobicContact CD1-CD1 4.5Å; Y100-L139 HydrophobicContact CD1-CD2 4.16Å; Y100-L139 HydrophobicContact CE1-CD1 4.13Å; Y100-L139 HydrophobicContact CE1-CD2 3.59Å; Y100-P236 VanDerWaalsContact OH-CG 3.3Å; Y100-P236 WeakPolarHBondContact OH-CG 3.16Å; Y100-M247 HydrophobicContact CD1-CE 3.95Å; Y100-M247 HydrophobicContact CD1-SD 3.7Å; Y100-M247 HydrophobicContact CD2-CE 4.13Å; Y100-M247 HydrophobicContact CE1-CE 4.3Å; Y100-M247 HydrophobicContact CE1-SD 4.4Å; Y100-M247 HydrophobicContact CE2-CE 4.46Å; Y100-M247 HydrophobicContact CG-CE 3.88Å; Y100-M247 HydrophobicContact CG-SD 3.88Å
101C91.3Very high92.7Very high39 Ų3939.9 Ų39.926%0.26420%0.198SC..G310 helixtrans-69.3-18.4176.559.20000114.4S13 C14 V16 K99S13-C101 VanDerWaalsContact O-CA 3.25Å; S13-C101 WeakPolarHBondContact O-CA 3.31Å; S13-C101 PolarHBondContact O-N 2.96Å; C14-C101 WeakPolarHBondContact O-CB 3.35Å; V16-C101 PolarHBondContact O-N 2.78Å; K99-C101 VanDerWaalsContact CB-SG 3.55Å; K99-C101 PolarHBondContact O-N 2.97Å
102D90.4Very high92.9Very high85 Ų8535.7 Ų35.746%0.45518%0.176SC..G310 helixtrans-99.6-3.5-176-52.8-29.5000112.4F73 I98 K99 Y100F73-D102 HydrophobicContact CE1-CB 4.33Å; F73-D102 WeakPolarHBondContact CE1-O 3.36Å; I98-D102 HydrophobicContact CG2-CB 4.43Å; K99-D102 WeakPolarHBondContact CB-OD2 3.43Å; K99-D102 PolarHBondContact O-N 3.01Å; K99-D102 VanDerWaalsContact O-N 3.13Å; Y100-D102 PolarHBondContact O-N 2.79Å
103L90.9Very high92.8Very high7 Ų733.1 Ų33.14%0.03716%0.164CC..  trans-77.7139.6-179.6-66.1177.5000111.2V20 I66 I98 Y100 A107 L132 F133 Y249V20-L103 HydrophobicContact CG2-CD1 3.75Å; V20-L103 HydrophobicContact CG2-CD2 4.28Å; V20-L103 HydrophobicContact CG2-CG 4.19Å; I66-L103 HydrophobicContact CD1-CD2 4.15Å; I66-L103 HydrophobicContact CG2-CD2 4.01Å; I98-L103 HydrophobicContact CG2-CD2 3.94Å; Y100-L103 HydrophobicContact CD1-CD1 4Å; L103-A107 HydrophobicContact CB-CB 4.3Å; L103-A107 HydrophobicContact CD2-CB 4.23Å; L103-L132 HydrophobicContact CD1-CD1 3.71Å; L103-L132 HydrophobicContact CD2-CD1 4.17Å; L103-F133 HydrophobicContact CB-CE2 4.15Å; L103-F133 HydrophobicContact CD1-CE2 4.28Å; L103-F133 HydrophobicContact CD1-CZ 4.38Å; L103-Y249 WeakPolarHBondContact O-CE2 3.5Å
104S90.4Very high92.5Very high19 Ų1928.9 Ų28.913%0.13315%0.149CC..  trans-78.8161.9167.563.70000112.4C68 D106 A107C68-S104 VanDerWaalsContact CB-OG 3.22Å; C68-S104 WeakPolarHBondContact CB-OG 3.42Å; C68-S104 PolarHBondContact SG-OG 3.08Å; S104-D106 WeakPolarHBondContact CB-OD1 3.48Å; S104-D106 PolarHBondContact O-N 3.12Å; S104-D106 PolarHBondContact OG-OD1 2.69Å; S104-A107 VanDerWaalsContact O-CB 3.22Å; S104-A107 WeakPolarHBondContact O-CB 3.42Å; S104-A107 PolarHBondContact O-N 2.93Å; S104-A107 VanDerWaalsContact O-N 3.12Å
105R89.4Confident91.9Very high155 Ų15528.8 Ų28.859%0.58515%0.148SC*.THydrogen-bonded Turntrans-59.2-33.3179.7-174.2175.4175.8-176.6-0.2113.5A107 Y249R105-A107 VanDerWaalsContact C-N 3.3Å; R105-Y249 HydrophobicContact CB-CD1 3.84Å; R105-Y249 HydrophobicContact CB-CD2 4.16Å; R105-Y249 HydrophobicContact CB-CE1 3.69Å; R105-Y249 HydrophobicContact CB-CE2 3.99Å; R105-Y249 HydrophobicContact CB-CG 4.07Å; R105-Y249 HydrophobicContact CG-CD1 4.01Å; R105-Y249 HydrophobicContact CG-CE1 4.31Å; R105-Y249 HydrophobicContact CG-CG 4.23Å
106D90.3Very high91.1Very high38 Ų3827.1 Ų27.120%0.20314%0.138CC..THydrogen-bonded Turntrans-909.4-177.673.3-39.7000113.1N69 S104 C108 L158N69-D106 WeakPolarHBondContact CA-OD2 3.16Å; N69-D106 PolarHBondContact N-OD1 3.43Å; N69-D106 PolarHBondContact N-OD2 3.17Å; N69-D106 PolarHBondContact OD1-OD1 3.12Å; N69-D106 PolarHBondContact OD1-OD2 2.68Å; S104-D106 WeakPolarHBondContact CB-OD1 3.48Å; S104-D106 PolarHBondContact O-N 3.12Å; S104-D106 PolarHBondContact OG-OD1 2.69Å; D106-C108 PolarHBondContact O-N 3.19Å; D106-C108 PolarHBondContact O-SG 3.48Å; D106-L158 HydrophobicContact CB-CD1 4.45Å
107A93.2Very high89.9Confident0 Ų028.6 Ų28.60%015%0.145CC..  trans-54.5128-17700000112.4F67 L103 S104 R105 L132F67-A107 CarbonylContact O-C 3.57Å; F67-A107 VanDerWaalsContact O-CA 3.28Å; F67-A107 WeakPolarHBondContact O-CA 3.46Å; L103-A107 HydrophobicContact CB-CB 4.3Å; L103-A107 HydrophobicContact CD2-CB 4.23Å; S104-A107 VanDerWaalsContact O-CB 3.22Å; S104-A107 WeakPolarHBondContact O-CB 3.42Å; S104-A107 PolarHBondContact O-N 2.93Å; S104-A107 VanDerWaalsContact O-N 3.12Å; R105-A107 VanDerWaalsContact C-N 3.3Å; A107-L132 HydrophobicContact CB-CB 4.41Å; A107-L132 HydrophobicContact CB-CD1 3.92Å; A107-L132 HydrophobicContact CB-CG 4.49Å; A107-L132 WeakPolarHBondContact O-CB 3.42Å; A107-L132 PolarHBondContact O-N 3.47Å
108C94.3Very high88.5Confident4 Ų430.5 Ų30.53%0.02717%0.167CC..EExtended strand (participates in β ladder)trans-122.1143-178.1-79.60000110.5I66 F67 D106 G156I66-C108 CarbonylContact C-O 3.54Å; I66-C108 WeakPolarHBondContact CA-O 3.3Å; F67-C108 PolarHBondContact N-O 2.92Å; F67-C108 PolarHBondContact O-N 2.79Å; D106-C108 PolarHBondContact O-N 3.19Å; D106-C108 PolarHBondContact O-SG 3.48Å; C108-G156 WeakPolarHBondContact CB-O 3.28Å
109L94.7Very high87.3Confident1 Ų134.1 Ų34.11%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-105.4123.6176.4-166.968.4000108.6V22 C64 I66 L96 F111 S129 I130 L132 F235V22-L109 HydrophobicContact CB-CD2 4.15Å; V22-L109 HydrophobicContact CG1-CD2 4.07Å; V22-L109 HydrophobicContact CG2-CD2 3.99Å; C64-L109 VanDerWaalsContact SG-CD1 3.53Å; I66-L109 HydrophobicContact CD1-CD1 4.46Å; I66-L109 HydrophobicContact CG1-CD1 3.59Å; L96-L109 HydrophobicContact CD1-CD1 3.9Å; L109-F111 HydrophobicContact CD2-CE1 4.48Å; L109-F111 HydrophobicContact CD2-CE2 3.46Å; L109-F111 VanDerWaalsContact CD2-CE2 3.46Å; L109-F111 HydrophobicContact CD2-CZ 3.4Å; L109-F111 HydrophobicContact CG-CD2 4.48Å; L109-F111 HydrophobicContact CG-CE2 3.74Å; L109-F111 HydrophobicContact CG-CZ 3.94Å; L109-S129 CarbonylContact O-C 3.05Å; L109-S129 VanDerWaalsContact O-CA 3.32Å; L109-S129 WeakPolarHBondContact O-CA 3.29Å; L109-I130 HydrophobicContact CB-CG2 4.15Å; L109-I130 PolarHBondContact N-O 2.75Å; L109-I130 PolarHBondContact O-N 3.17Å; L109-L132 HydrophobicContact CB-CD2 4.13Å; L109-L132 HydrophobicContact CB-CG 4.49Å; L109-L132 HydrophobicContact CD2-CD2 4.39Å; L109-F235 HydrophobicContact CD2-CE1 4.21Å; L109-F235 HydrophobicContact CD2-CZ 4.39Å
110A95.2Very high86Confident2 Ų237.7 Ų37.72%0.01721%0.208CC..EExtended strand (participates in β ladder)trans-109135.4176.700000110C64 Q65 F67C64-A110 WeakPolarHBondContact CA-O 3.21Å; Q65-A110 PolarHBondContact N-O 2.83Å; Q65-A110 PolarHBondContact O-N 3.39Å; F67-A110 HydrophobicContact CD2-CB 4.04Å; F67-A110 HydrophobicContact CE2-CB 3.79Å
111F95.8Very high84.9Confident0 Ų042.4 Ų42.40%023%0.231CC..EExtended strand (participates in β ladder)trans-117.6134.5171.2-62.5-90.6000109.2V22 V24 H63 C64 L109 G127 T128 L146 L231 I233V22-F111 HydrophobicContact CG1-CE1 4.43Å; V22-F111 HydrophobicContact CG1-CZ 4.19Å; V22-F111 HydrophobicContact CG2-CZ 4.13Å; V24-F111 HydrophobicContact CG2-CE1 4.02Å; H63-F111 CarbonylContact O-C 3.54Å; H63-F111 VanDerWaalsContact O-CA 3.3Å; H63-F111 WeakPolarHBondContact O-CA 3.49Å; C64-F111 HydrophobicContact CB-CD1 3.91Å; C64-F111 HydrophobicContact CB-CE1 3.94Å; C64-F111 WeakPolarHBondContact SG-CE1 3.49Å; L109-F111 HydrophobicContact CD2-CE1 4.48Å; L109-F111 HydrophobicContact CD2-CE2 3.46Å; L109-F111 VanDerWaalsContact CD2-CE2 3.46Å; L109-F111 HydrophobicContact CD2-CZ 3.4Å; L109-F111 HydrophobicContact CG-CD2 4.48Å; L109-F111 HydrophobicContact CG-CE2 3.74Å; L109-F111 HydrophobicContact CG-CZ 3.94Å; F111-G127 CarbonylContact O-C 3.33Å; F111-G127 WeakPolarHBondContact O-CA 3.37Å; F111-T128 HydrophobicContact CB-CG2 3.9Å; F111-T128 HydrophobicContact CD2-CG2 4.19Å; F111-T128 HydrophobicContact CG-CG2 4.46Å; F111-T128 PolarHBondContact N-O 3.05Å; F111-T128 PolarHBondContact O-N 3.2Å; F111-L146 HydrophobicContact CD2-CD1 4.22Å; F111-L146 HydrophobicContact CE2-CD1 4.19Å; F111-L231 HydrophobicContact CB-CD2 3.92Å; F111-L231 HydrophobicContact CD1-CD2 4.08Å; F111-L231 HydrophobicContact CD2-CD2 4.28Å; F111-L231 HydrophobicContact CG-CD2 3.84Å; F111-I233 HydrophobicContact CE1-CG2 4.39Å; F111-I233 HydrophobicContact CE2-CD1 4.05Å; F111-I233 HydrophobicContact CE2-CG2 4.1Å; F111-I233 HydrophobicContact CZ-CD1 4.34Å; F111-I233 HydrophobicContact CZ-CG2 3.87Å
112T94Very high84.1Confident5 Ų543.5 Ų43.53%0.03124%0.239CC..EExtended strand (participates in β ladder)trans-125.7125174.4-57.80000108.7H63 L114 I124 S153 G154H63-T112 PolarHBondContact N-O 3.11Å; H63-T112 PolarHBondContact O-N 2.91Å; T112-L114 HydrophobicContact CG2-CD2 4.34Å; T112-L114 HydrophobicContact CG2-CG 4.27Å; T112-I124 HydrophobicContact CG2-CG1 4.1Å; T112-I124 HydrophobicContact CG2-CG2 3.94Å; T112-S153 PolarHBondContact OG1-OG 3.42Å; T112-G154 PolarHBondContact OG1-N 3.21Å
113I92Very high83.5Confident0 Ų040.2 Ų40.20%022%0.221CC..EExtended strand (participates in β ladder)trans-89.9121.2-179.3-41.9-157.1000107.9L27 F31 I60 L62 L125 G126 V148L27-I113 HydrophobicContact CD1-CD1 3.55Å; L27-I113 HydrophobicContact CD2-CD1 3.76Å; L27-I113 HydrophobicContact CD2-CG2 4.27Å; L27-I113 HydrophobicContact CG-CD1 4.31Å; F31-I113 HydrophobicContact CZ-CG2 4.27Å; I60-I113 HydrophobicContact CD1-CG2 4.34Å; I60-I113 HydrophobicContact CG2-CG2 3.33Å; L62-I113 HydrophobicContact CD2-CB 4.09Å; L62-I113 HydrophobicContact CD2-CD1 4Å; L62-I113 HydrophobicContact CD2-CG1 3.53Å; L62-I113 HydrophobicContact CD2-CG2 4.26Å; I113-L125 HydrophobicContact CB-CB 4.33Å; I113-L125 HydrophobicContact CG2-CB 4.24Å; I113-L125 HydrophobicContact CG2-CD1 4.38Å; I113-L125 PolarHBondContact O-N 3.44Å; I113-G126 WeakPolarHBondContact CG1-O 3.45Å; I113-G126 PolarHBondContact N-O 2.85Å; I113-V148 HydrophobicContact CD1-CB 4.47Å; I113-V148 HydrophobicContact CD1-CG1 3.68Å; I113-V148 HydrophobicContact CD1-CG2 4Å; I113-V148 HydrophobicContact CG1-CG1 4.22Å
114L87.4Confident83.2Confident17 Ų1742.7 Ų42.79%0.08923%0.234CC..EExtended strand (participates in β ladder)trans-119130.3-175.4-68.1157000109.9I60 Y61 H63 T112 H123 I124I60-L114 VanDerWaalsContact CA-O 3.28Å; I60-L114 WeakPolarHBondContact CA-O 3.43Å; Y61-L114 HydrophobicContact CD1-CB 4.24Å; Y61-L114 HydrophobicContact CD2-CD1 4.45Å; Y61-L114 HydrophobicContact CE1-CB 3.76Å; Y61-L114 HydrophobicContact CE1-CD1 4.48Å; Y61-L114 HydrophobicContact CE2-CB 4.11Å; Y61-L114 HydrophobicContact CE2-CD1 3.54Å; Y61-L114 HydrophobicContact CE2-CG 4.45Å; Y61-L114 PolarHBondContact N-O 3.04Å; Y61-L114 PolarHBondContact O-N 3.37Å; Y61-L114 WeakPolarHBondContact OH-CD1 3.34Å; H63-L114 HydrophobicContact CB-CD1 3.68Å; T112-L114 HydrophobicContact CG2-CD2 4.34Å; T112-L114 HydrophobicContact CG2-CG 4.27Å; L114-H123 CarbonylContact C-O 3.56Å; L114-H123 VanDerWaalsContact CA-O 3.28Å; L114-H123 WeakPolarHBondContact CA-O 3.35Å; L114-I124 HydrophobicContact CD2-CG1 3.75Å
115D83.1Confident82.9Confident0 Ų042 Ų420%023%0.228CC..EExtended strand (participates in β ladder)trans-95.8139.7169-162.91.6000109.9H58 N59 H117 S122 H123 L125H58-D115 IonicContact CE1-OD2 2.7Å; H58-D115 IonicContact CG-OD2 2.99Å; H58-D115 IonicContact ND1-OD2 3.49Å; H58-D115 PolarHBondContact ND1-OD2 3.36Å; N59-D115 PolarHBondContact N-OD1 3.07Å; N59-D115 WeakPolarHBondContact O-CA 3.49Å; N59-D115 VanDerWaalsContact O-OD1 3.12Å; D115-H117 IonicContact OD2-CE1 3.88Å; D115-H117 PolarHBondContact OD2-CE1 3.28Å; D115-H117 IonicContact OD2-ND1 2.77Å; D115-H117 IonicContact OD2-NE2 3.79Å; D115-S122 CarbonylContact O-C 3.05Å; D115-S122 VanDerWaalsContact O-CA 3.28Å; D115-S122 WeakPolarHBondContact O-CA 3.42Å; D115-H123 PolarHBondContact N-O 2.91Å; D115-H123 PolarHBondContact O-N 3.2Å; D115-L125 HydrophobicContact CB-CD1 3.75Å; D115-L125 HydrophobicContact CB-CD2 3.96Å; D115-L125 HydrophobicContact CB-CG 3.76Å
116V76.7Confident82.8Confident26 Ų2634.6 Ų34.616%0.15820%0.201CC..EExtended strand (participates in β ladder)trans-113.6115.3173.7-173.90000109.2N59 Y61 F81N59-V116 PolarHBondContact O-N 3.11Å; Y61-V116 HydrophobicContact CD1-CG2 3.88Å; Y61-V116 HydrophobicContact CE1-CG2 3.44Å; Y61-V116 VanDerWaalsContact CE1-CG2 3.44Å; F81-V116 HydrophobicContact CE2-CB 3.86Å; F81-V116 HydrophobicContact CE2-CG2 3.8Å; F81-V116 HydrophobicContact CZ-CB 4.16Å
117H68.9Low82.9Confident31 Ų3132.8 Ų32.814%0.14419%0.191CC..  trans-88.6173.8176-68-38.2000112D115 N119 L120 E121 H123D115-H117 IonicContact OD2-CE1 3.88Å; D115-H117 PolarHBondContact OD2-CE1 3.28Å; D115-H117 IonicContact OD2-ND1 2.77Å; D115-H117 IonicContact OD2-NE2 3.79Å; H117-N119 WeakPolarHBondContact CB-OD1 3.26Å; H117-N119 PolarHBondContact O-N 2.82Å; H117-N119 VanDerWaalsContact O-N 3.08Å; H117-L120 PolarHBondContact O-N 2.97Å; H117-E121 PolarHBondContact N-O 2.8Å; H117-H123 AromaticContact CD2-CD2 3.2Å; H117-H123 PolarHBondContact CD2-CD2 3.38Å; H117-H123 AromaticContact CD2-NE2 3.63Å; H117-H123 AromaticContact NE2-CD2 3.8Å
118A62.8Low82.9Confident112 Ų11232.8 Ų32.893%0.92619%0.191SC*.THydrogen-bonded Turntrans-60.9-18.5-176.600000114.1L120A118-L120 VanDerWaalsContact C-N 3.26Å
119N66.4Low82.9Confident87 Ų8732.9 Ų32.947%0.46519%0.192SC..THydrogen-bonded Turntrans-82.22.3173.665-14.5000113.6H117 E121H117-N119 WeakPolarHBondContact CB-OD1 3.26Å; H117-N119 PolarHBondContact O-N 2.82Å; H117-N119 VanDerWaalsContact O-N 3.08Å; N119-E121 PolarHBondContact ND2-OE2 3.16Å; N119-E121 PolarHBondContact O-N 3.38Å; N119-E121 PolarHBondContact OD1-N 3.49Å
120L66.6Low82.9Confident151 Ų15133.1 Ų33.179%0.79119%0.193SC*.  trans62.810.3-176.1-58.5169.6000114.8H117 A118H117-L120 PolarHBondContact O-N 2.97Å; A118-L120 VanDerWaalsContact C-N 3.26Å
121E69.1Low82.8Confident111 Ų11134.6 Ų34.652%0.51920%0.203SC..  trans-81.7138.5171-65-176.5164.800109.7H117 N119H117-E121 PolarHBondContact N-O 2.8Å; N119-E121 PolarHBondContact ND2-OE2 3.16Å; N119-E121 PolarHBondContact O-N 3.38Å; N119-E121 PolarHBondContact OD1-N 3.49Å
122S73.7Confident82.7Confident63 Ų6334.7 Ų34.744%0.44120%0.203SC..EExtended strand (participates in β ladder)trans-96.4126.4178.261.50000111D115D115-S122 CarbonylContact O-C 3.05Å; D115-S122 VanDerWaalsContact O-CA 3.28Å; D115-S122 WeakPolarHBondContact O-CA 3.42Å
123H77.9Confident82.6Confident15 Ų1534.7 Ų34.77%0.06920%0.203CC..EExtended strand (participates in β ladder)trans-112.5142.8178-58.1-71.7000111.6S47 L114 D115 H117 L125S47-H123 VanDerWaalsContact CB-CE1 3.48Å; S47-H123 WeakPolarHBondContact CB-CE1 3.49Å; S47-H123 PolarHBondContact OG-CE1 2.98Å; S47-H123 PolarHBondContact OG-ND1 3.24Å; L114-H123 CarbonylContact C-O 3.56Å; L114-H123 VanDerWaalsContact CA-O 3.28Å; L114-H123 WeakPolarHBondContact CA-O 3.35Å; D115-H123 PolarHBondContact N-O 2.91Å; D115-H123 PolarHBondContact O-N 3.2Å; H117-H123 AromaticContact CD2-CD2 3.2Å; H117-H123 PolarHBondContact CD2-CD2 3.38Å; H117-H123 AromaticContact CD2-NE2 3.63Å; H117-H123 AromaticContact NE2-CD2 3.8Å; H123-L125 PolarHBondContact O-N 3.31Å
124I84.7Confident82.4Confident60 Ų6036.7 Ų36.731%0.30822%0.215SC..EExtended strand (participates in β ladder)trans-81.5114.3-179.2-62.8165.4000108.9T112 L114T112-I124 HydrophobicContact CG2-CG1 4.1Å; T112-I124 HydrophobicContact CG2-CG2 3.94Å; L114-I124 HydrophobicContact CD2-CG1 3.75Å
125L83.8Confident82.3Confident4 Ų443.8 Ų43.82%0.02125%0.245CC..EExtended strand (participates in β ladder)trans-85.4-28.8173.3-63.8-178.3000112.3F31 H58 I60 I113 D115 H123 Y151F31-L125 HydrophobicContact CD1-CB 3.85Å; F31-L125 HydrophobicContact CD1-CD1 4.37Å; F31-L125 HydrophobicContact CD2-CD1 4.44Å; F31-L125 HydrophobicContact CE1-CB 3.43Å; F31-L125 VanDerWaalsContact CE1-CB 3.43Å; F31-L125 HydrophobicContact CE1-CD1 3.86Å; F31-L125 HydrophobicContact CE1-CG 4.24Å; F31-L125 HydrophobicContact CE2-CD1 3.91Å; F31-L125 HydrophobicContact CZ-CB 4.02Å; F31-L125 HydrophobicContact CZ-CD1 3.59Å; F31-L125 HydrophobicContact CZ-CG 4.46Å; H58-L125 HydrophobicContact CB-CD1 4.08Å; I60-L125 HydrophobicContact CD1-CD1 3.56Å; I60-L125 HydrophobicContact CG1-CD1 3.82Å; I113-L125 HydrophobicContact CB-CB 4.33Å; I113-L125 HydrophobicContact CG2-CB 4.24Å; I113-L125 HydrophobicContact CG2-CD1 4.38Å; I113-L125 PolarHBondContact O-N 3.44Å; D115-L125 HydrophobicContact CB-CD1 3.75Å; D115-L125 HydrophobicContact CB-CD2 3.96Å; D115-L125 HydrophobicContact CB-CG 3.76Å; H123-L125 PolarHBondContact O-N 3.31Å; L125-Y151 PolarHBondContact O-N 2.81Å
126G88.2Confident82.4Confident0 Ų054 Ų540%028%0.284CS..EExtended strand (participates in β ladder)trans171.3178.5175.700000113.6I113 W149 V152I113-G126 WeakPolarHBondContact CG1-O 3.45Å; I113-G126 PolarHBondContact N-O 2.85Å; G126-W149 CarbonylContact C-O 3.42Å; G126-W149 WeakPolarHBondContact CA-O 3.31Å; G126-V152 CarbonylContact C-O 3.57Å
127G92.3Very high82.9Confident0 Ų053 Ų530%028%0.279CS..EExtended strand (participates in β ladder)trans-154.2154.9-17200000113.2F111 W149 V152F111-G127 CarbonylContact O-C 3.33Å; F111-G127 WeakPolarHBondContact O-CA 3.37Å; G127-W149 PolarHBondContact N-O 2.87Å; G127-W149 PolarHBondContact O-N 2.68Å; G127-V152 WeakPolarHBondContact CA-O 3.07Å; G127-V152 PolarHBondContact N-O 3.24Å
128T94.2Very high84Confident0 Ų053.8 Ų53.80%028%0.284CS..EExtended strand (participates in β ladder)trans-152.6144.2179.1-167.50000111.8F111 L146 K147 V148 T162 G164 L231F111-T128 HydrophobicContact CB-CG2 3.9Å; F111-T128 HydrophobicContact CD2-CG2 4.19Å; F111-T128 HydrophobicContact CG-CG2 4.46Å; F111-T128 PolarHBondContact N-O 3.05Å; F111-T128 PolarHBondContact O-N 3.2Å; T128-L146 HydrophobicContact CG2-CB 3.98Å; T128-L146 HydrophobicContact CG2-CD1 3.91Å; T128-K147 VanDerWaalsContact CB-O 3.24Å; T128-K147 WeakPolarHBondContact CB-O 3.49Å; T128-K147 PolarHBondContact OG1-O 2.96Å; T128-V148 HydrophobicContact CG2-CG2 4.49Å; T128-T162 CarbonylContact C-O 3.59Å; T128-G164 WeakPolarHBondContact OG1-CA 3.31Å; T128-G164 PolarHBondContact OG1-N 3.5Å; T128-L231 HydrophobicContact CG2-CD2 4.12Å
129S94.4Very high85.4Confident6 Ų648.7 Ų48.74%0.04224%0.241CC..EExtended strand (participates in β ladder)trans-127.6140.2-177.6-58.30000111.6L109 D155 G156 S160 T162 G164L109-S129 CarbonylContact O-C 3.05Å; L109-S129 VanDerWaalsContact O-CA 3.32Å; L109-S129 WeakPolarHBondContact O-CA 3.29Å; S129-D155 WeakPolarHBondContact CB-OD1 3.25Å; S129-D155 PolarHBondContact OG-N 3.35Å; S129-D155 PolarHBondContact OG-OD1 2.99Å; S129-G156 PolarHBondContact OG-N 3.44Å; S129-S160 WeakPolarHBondContact CB-OG 3.29Å; S129-T162 PolarHBondContact N-O 2.95Å; S129-T162 PolarHBondContact OG-OG1 2.9Å; S129-G164 PolarHBondContact O-N 3.31Å
130I93.9Very high86.5Confident5 Ų545.7 Ų45.73%0.02622%0.223CC..EExtended strand (participates in β ladder)trans-142.1137.5175.8-175.4162.5000112.3L109 Y144 L146 I233 F235L109-I130 HydrophobicContact CB-CG2 4.15Å; L109-I130 PolarHBondContact N-O 2.75Å; L109-I130 PolarHBondContact O-N 3.17Å; I130-Y144 HydrophobicContact CD1-CD1 4.14Å; I130-Y144 HydrophobicContact CD1-CG 4.3Å; I130-L146 HydrophobicContact CB-CD1 4.28Å; I130-L146 HydrophobicContact CB-CD2 4.16Å; I130-L146 HydrophobicContact CD1-CD2 3.53Å; I130-L146 HydrophobicContact CG1-CD2 4.39Å; I130-L146 HydrophobicContact CG2-CD1 3.89Å; I130-L146 HydrophobicContact CG2-CD2 4.46Å; I130-I233 HydrophobicContact CG2-CD1 4.08Å; I130-F235 HydrophobicContact CD1-CE2 4.28Å; I130-F235 HydrophobicContact CG2-CZ 4.12Å
131S93.3Very high87.6Confident33 Ų3339.7 Ų39.723%0.23119%0.191CC..EExtended strand (participates in β ladder)trans-65.9133.3173.274.20000111.8F133 R140S131-F133 WeakPolarHBondContact CB-O 3.23Å; S131-F133 PolarHBondContact OG-O 2.89Å; S131-R140 WeakPolarHBondContact O-CD 3.35Å; S131-R140 PolarHBondContact O-NE 3.22Å; S131-R140 PolarHBondContact OG-NH2 3.13Å; S131-R140 VanDerWaalsContact OG-NH2 3.14Å
132L92.7Very high88.4Confident2 Ų238.6 Ų38.61%0.0118%0.182CC..SBendtrans-67.3-43.9175-73.2179.4000111.2I66 L103 A107 L109 L139 R140 F235I66-L132 HydrophobicContact CD1-CD1 4.14Å; I66-L132 HydrophobicContact CG1-CD1 4.44Å; L103-L132 HydrophobicContact CD1-CD1 3.71Å; L103-L132 HydrophobicContact CD2-CD1 4.17Å; A107-L132 HydrophobicContact CB-CB 4.41Å; A107-L132 HydrophobicContact CB-CD1 3.92Å; A107-L132 HydrophobicContact CB-CG 4.49Å; A107-L132 WeakPolarHBondContact O-CB 3.42Å; A107-L132 PolarHBondContact O-N 3.47Å; L109-L132 HydrophobicContact CB-CD2 4.13Å; L109-L132 HydrophobicContact CB-CG 4.49Å; L109-L132 HydrophobicContact CD2-CD2 4.39Å; L132-L139 HydrophobicContact CB-CD1 4.18Å; L132-R140 WeakPolarHBondContact O-CG 3.34Å; L132-R140 PolarHBondContact O-N 3.2Å; L132-F235 HydrophobicContact CD2-CD1 4.45Å; L132-F235 HydrophobicContact CD2-CE1 3.56Å; L132-F235 HydrophobicContact CD2-CZ 4.26Å
133F92.3Very high88.9Confident6 Ų641.3 Ų41.33%0.02619%0.189CC..BIsolated β-bridgetrans-94.2142.4175-59.8-79.5000111.1L103 S131 G137 L139 Y249L103-F133 HydrophobicContact CB-CE2 4.15Å; L103-F133 HydrophobicContact CD1-CE2 4.28Å; L103-F133 HydrophobicContact CD1-CZ 4.38Å; S131-F133 WeakPolarHBondContact CB-O 3.23Å; S131-F133 PolarHBondContact OG-O 2.89Å; F133-G137 WeakPolarHBondContact CD1-O 3.49Å; F133-L139 HydrophobicContact CD1-CB 4.16Å; F133-L139 HydrophobicContact CD1-CD1 4.38Å; F133-L139 HydrophobicContact CE1-CB 4.04Å; F133-L139 HydrophobicContact CE1-CD1 4.07Å; F133-L139 HydrophobicContact CZ-CD1 4.35Å; F133-Y249 HydrophobicContact CE2-CD2 4.07Å; F133-Y249 HydrophobicContact CZ-CD2 4.09Å
134T89Confident89.4Confident41 Ų4143.2 Ų43.225%0.25220%0.196SC..  trans-72.8169.4170.161.90000110.5R136 G137 I138 R140T134-R136 PolarHBondContact O-N 3.28Å; T134-G137 PolarHBondContact O-N 3.25Å; T134-I138 WeakPolarHBondContact CG2-O 3.36Å; T134-I138 PolarHBondContact N-O 3.33Å; T134-I138 PolarHBondContact OG1-N 3.06Å; T134-I138 PolarHBondContact OG1-O 2.9Å; T134-R140 HydrophobicContact CG2-CG 3.92Å
135K85.2Confident89.4Confident166 Ų16643.8 Ų43.872%0.72220%0.199SC*.THydrogen-bonded Turntrans-53.7-25175.5-65.5-174.2177.9-175.20113.9G137 R167K135-G137 VanDerWaalsContact C-N 3.32Å; K135-R167 VanDerWaalsContact CE-NH2 3.32Å
136R85.1Confident89.7Confident216 Ų21643.6 Ų43.682%0.81520%0.199SC*.THydrogen-bonded Turntrans-87.86.3177.8-63.5-175.4179.1-176.4-1.4113.6T134 I138T134-R136 PolarHBondContact O-N 3.28Å; R136-I138 VanDerWaalsContact C-N 3.27Å; R136-I138 HydrophobicContact CB-CD1 4.29Å; R136-I138 HydrophobicContact CB-CG1 4.3Å; R136-I138 PolarHBondContact O-N 3.49Å
137G87.7Confident89.7Confident5 Ų545.1 Ų45.15%0.05221%0.205CC..SBendtrans75.611-177.100000114.4F133 T134 K135 Y249F133-G137 WeakPolarHBondContact CD1-O 3.49Å; T134-G137 PolarHBondContact O-N 3.25Å; K135-G137 VanDerWaalsContact C-N 3.32Å; G137-Y249 PolarHBondContact O-N 3.04Å
138I90.3Very high89.6Confident47 Ų4745.2 Ų45.224%0.24121%0.206CC..BIsolated β-bridgetrans-91.6129.8179.6-55.4173000109.2T134 R136 Y246 M247 V248T134-I138 WeakPolarHBondContact CG2-O 3.36Å; T134-I138 PolarHBondContact N-O 3.33Å; T134-I138 PolarHBondContact OG1-N 3.06Å; T134-I138 PolarHBondContact OG1-O 2.9Å; R136-I138 VanDerWaalsContact C-N 3.27Å; R136-I138 HydrophobicContact CB-CD1 4.29Å; R136-I138 HydrophobicContact CB-CG1 4.3Å; R136-I138 PolarHBondContact O-N 3.49Å; I138-Y246 HydrophobicContact CG2-CD1 3.74Å; I138-Y246 HydrophobicContact CG2-CG 4.26Å; I138-M247 CarbonylContact C-O 3.46Å; I138-M247 WeakPolarHBondContact CA-O 3.31Å; I138-V248 HydrophobicContact CG1-CG2 4.41Å
139L92.2Very high89.4Confident5 Ų549 Ų493%0.02622%0.22CC..BIsolated β-bridgetrans-58.6135.5174.1-17473.8000109.8Y100 L132 F133 M247Y100-L139 HydrophobicContact CD1-CD1 4.5Å; Y100-L139 HydrophobicContact CD1-CD2 4.16Å; Y100-L139 HydrophobicContact CE1-CD1 4.13Å; Y100-L139 HydrophobicContact CE1-CD2 3.59Å; L132-L139 HydrophobicContact CB-CD1 4.18Å; F133-L139 HydrophobicContact CD1-CB 4.16Å; F133-L139 HydrophobicContact CD1-CD1 4.38Å; F133-L139 HydrophobicContact CE1-CB 4.04Å; F133-L139 HydrophobicContact CE1-CD1 4.07Å; F133-L139 HydrophobicContact CZ-CD1 4.35Å; L139-M247 HydrophobicContact CB-CB 3.87Å; L139-M247 HydrophobicContact CB-CG 4.47Å; L139-M247 HydrophobicContact CD2-CB 4.2Å; L139-M247 HydrophobicContact CD2-CE 3.9Å; L139-M247 HydrophobicContact CD2-SD 3.87Å; L139-M247 PolarHBondContact N-O 2.8Å
140R90.9Very high88.9Confident24 Ų2450.9 Ų50.99%0.09123%0.232CC..PPolyproline II helixtrans-64.1146.3174.1-69.4-178.7-172.2-91.81.7110.9S131 L132 T134 Y144 F235S131-R140 WeakPolarHBondContact O-CD 3.35Å; S131-R140 PolarHBondContact O-NE 3.22Å; S131-R140 PolarHBondContact OG-NH2 3.13Å; S131-R140 VanDerWaalsContact OG-NH2 3.14Å; L132-R140 WeakPolarHBondContact O-CG 3.34Å; L132-R140 PolarHBondContact O-N 3.2Å; T134-R140 HydrophobicContact CG2-CG 3.92Å; R140-Y144 HydrophobicContact CB-CE2 3.91Å; R140-Y144 HydrophobicContact CG-CE2 4.39Å; R140-Y144 VanDerWaalsContact NH1-CE1 3.31Å; R140-F235 HydrophobicContact CB-CD2 3.61Å; R140-F235 HydrophobicContact CB-CE2 3.8Å; R140-F235 HydrophobicContact CB-CG 3.99Å; R140-F235 HydrophobicContact CB-CZ 4.35Å; R140-F235 WeakPolarHBondContact O-CB 3.36Å
141Q88.9Confident88.4Confident24 Ų2453.4 Ų53.411%0.11224%0.242CC..  trans-137.3154.5-179.3-60.8-176.7-17.700109.4Y144 V237 G245Q141-Y144 VanDerWaalsContact O-CE2 3.32Å; Q141-Y144 WeakPolarHBondContact O-CE2 3.35Å; Q141-V237 HydrophobicContact CB-CG2 4.37Å; Q141-G245 PolarHBondContact NE2-O 3.37Å
142R86.7Confident88.1Confident89 Ų8955.4 Ų55.434%0.33625%0.252SS..EExtended strand (participates in β ladder)trans67-165.2177.9-52.6177.3170.6-99.2-1.4113.1Y144 E234 F235 V237 D244R142-Y144 WeakPolarHBondContact O-CD2 3.26Å; R142-E234 WeakPolarHBondContact O-CA 3.44Å; R142-F235 PolarHBondContact N-O 3Å; R142-F235 PolarHBondContact O-N 3Å; R142-V237 HydrophobicContact CG-CG2 3.76Å; R142-D244 IonicContact CZ-OD2 3.63Å; R142-D244 IonicContact NH2-OD2 3.78Å; R142-D244 PolarHBondContact NH2-OD2 3.41Å
143M84.3Confident88Confident119 Ų11957.7 Ų57.759%0.58627%0.269SS*.EExtended strand (participates in β ladder)trans-77.5141.7-170.6-69.3176.2179.100113.4L232 I233 E234M143-L232 HydrophobicContact CB-CD1 4.11Å; M143-L232 HydrophobicContact CG-CD1 4.41Å; M143-I233 CarbonylContact C-O 3.08Å; M143-I233 VanDerWaalsContact CA-O 3.24Å; M143-I233 WeakPolarHBondContact CA-O 3.32Å; M143-E234 HydrophobicContact CG-CB 4.01Å; M143-E234 HydrophobicContact CG-CG 4.25Å
144Y87.5Confident87.8Confident56 Ų5657.7 Ų57.722%0.2227%0.27CS..EExtended strand (participates in β ladder)trans-138.6132.6172.6-72.8-96.5000109.9I130 R140 Q141 R142 I233 F235I130-Y144 HydrophobicContact CD1-CD1 4.14Å; I130-Y144 HydrophobicContact CD1-CG 4.3Å; R140-Y144 HydrophobicContact CB-CE2 3.91Å; R140-Y144 HydrophobicContact CG-CE2 4.39Å; R140-Y144 VanDerWaalsContact NH1-CE1 3.31Å; Q141-Y144 VanDerWaalsContact O-CE2 3.32Å; Q141-Y144 WeakPolarHBondContact O-CE2 3.35Å; R142-Y144 WeakPolarHBondContact O-CD2 3.26Å; Y144-I233 PolarHBondContact N-O 2.78Å; Y144-I233 PolarHBondContact O-N 3.47Å; Y144-F235 AromaticContact CD2-CD2 3.6Å; Y144-F235 HydrophobicContact CD2-CD2 3.6Å; Y144-F235 AromaticContact CD2-CE2 3.87Å; Y144-F235 HydrophobicContact CD2-CE2 3.87Å; Y144-F235 AromaticContact CE2-CD2 3.76Å; Y144-F235 HydrophobicContact CE2-CD2 3.76Å; Y144-F235 HydrophobicContact CE2-CE2 4.2Å
145D85.1Confident87.8Confident71 Ų7157.2 Ų57.238%0.3827%0.266SS..EExtended strand (participates in β ladder)trans-89.8120.9166.8-63.7-41.9000109.1L232D145-L232 WeakPolarHBondContact OD1-CD1 3.34Å
146L89.4Confident87.8Confident1 Ų149.4 Ų49.41%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-108.1124-178.7-55.3-172.8000110.6F111 T128 I130 V148 G164 F230 L231 I233F111-L146 HydrophobicContact CD2-CD1 4.22Å; F111-L146 HydrophobicContact CE2-CD1 4.19Å; T128-L146 HydrophobicContact CG2-CB 3.98Å; T128-L146 HydrophobicContact CG2-CD1 3.91Å; I130-L146 HydrophobicContact CB-CD1 4.28Å; I130-L146 HydrophobicContact CB-CD2 4.16Å; I130-L146 HydrophobicContact CD1-CD2 3.53Å; I130-L146 HydrophobicContact CG1-CD2 4.39Å; I130-L146 HydrophobicContact CG2-CD1 3.89Å; I130-L146 HydrophobicContact CG2-CD2 4.46Å; L146-V148 PolarHBondContact O-N 3.48Å; L146-G164 WeakPolarHBondContact CA-O 3.43Å; L146-F230 CarbonylContact O-C 3.53Å; L146-F230 VanDerWaalsContact O-CA 3.25Å; L146-F230 WeakPolarHBondContact O-CA 3.46Å; L146-L231 PolarHBondContact N-O 3.39Å; L146-L231 PolarHBondContact O-N 3.09Å; L146-I233 HydrophobicContact CD1-CD1 3.6Å; L146-I233 HydrophobicContact CD1-CG1 3.95Å; L146-I233 HydrophobicContact CD1-CG2 4.34Å; L146-I233 HydrophobicContact CD2-CD1 4.48Å; L146-I233 HydrophobicContact CG-CD1 4.18Å; L146-I233 HydrophobicContact CG-CG1 4.08Å
147K89.3Confident87.8Confident32 Ų3244 Ų4414%0.13922%0.217CC..EExtended strand (participates in β ladder)trans-61.1130170179.9172.6177.5154.30109.7T128 W149 G164 V166 D228 Q229 F230T128-K147 VanDerWaalsContact CB-O 3.24Å; T128-K147 WeakPolarHBondContact CB-O 3.49Å; T128-K147 PolarHBondContact OG1-O 2.96Å; K147-W149 HydrophobicContact CD-CZ2 4.27Å; K147-G164 PolarHBondContact N-O 3.28Å; K147-V166 HydrophobicContact CB-CG2 4.04Å; K147-V166 HydrophobicContact CD-CG2 3.73Å; K147-V166 HydrophobicContact CG-CG2 4.47Å; K147-D228 VanDerWaalsContact CE-CG 3.48Å; K147-D228 VanDerWaalsContact CE-OD1 3.25Å; K147-D228 WeakPolarHBondContact CE-OD1 3.44Å; K147-D228 WeakPolarHBondContact CE-OD2 3.45Å; K147-D228 IonicContact NZ-OD1 2.67Å; K147-D228 PolarHBondContact NZ-OD1 3.18Å; K147-D228 IonicContact NZ-OD2 2.85Å; K147-D228 PolarHBondContact NZ-OD2 3.34Å; K147-Q229 WeakPolarHBondContact CA-O 3.47Å; K147-F230 HydrophobicContact CB-CD1 4.36Å; K147-F230 HydrophobicContact CB-CE1 4Å
148V89.8Confident87.1Confident1 Ų149.2 Ų49.21%0.00624%0.243CC..EExtended strand (participates in β ladder)trans-96.9129.5174.9179.70000108.6L27 I113 T128 L146 Q229 L231L27-V148 HydrophobicContact CD1-CG2 4.02Å; I113-V148 HydrophobicContact CD1-CB 4.47Å; I113-V148 HydrophobicContact CD1-CG1 3.68Å; I113-V148 HydrophobicContact CD1-CG2 4Å; I113-V148 HydrophobicContact CG1-CG1 4.22Å; T128-V148 HydrophobicContact CG2-CG2 4.49Å; L146-V148 PolarHBondContact O-N 3.48Å; V148-Q229 HydrophobicContact CB-CB 3.85Å; V148-Q229 HydrophobicContact CG2-CB 4.43Å; V148-Q229 PolarHBondContact N-O 2.9Å; V148-L231 HydrophobicContact CG2-CB 3.85Å
149W89.2Confident86.8Confident80 Ų8055 Ų5530%0.30327%0.268SS..EExtended strand (participates in β ladder)trans-93.6122.3177.7-65.281.9000108.8G126 G127 K147 T162 P163G126-W149 CarbonylContact C-O 3.42Å; G126-W149 WeakPolarHBondContact CA-O 3.31Å; G127-W149 PolarHBondContact N-O 2.87Å; G127-W149 PolarHBondContact O-N 2.68Å; K147-W149 HydrophobicContact CD-CZ2 4.27Å; W149-T162 HydrophobicContact CB-CG2 3.93Å; W149-T162 VanDerWaalsContact CD1-C 3.45Å; W149-T162 HydrophobicContact CG-CG2 4.14Å; W149-P163 HydrophobicContact CZ2-CG 3.97Å; W149-P163 PolarHBondContact NE1-O 3.02Å
150P85.1Confident86.4Confident46 Ų4656 Ų5630%0.29928%0.275SS..EExtended strand (participates in β ladder)trans-69.1144.1-172.530.1-36.8000111.3P32 V152P32-P150 HydrophobicContact CG-CB 3.47Å; P32-P150 VanDerWaalsContact CG-CB 3.47Å; P32-P150 HydrophobicContact CG-CG 3.79Å; P150-V152 PolarHBondContact O-N 2.97Å; P150-V152 VanDerWaalsContact O-N 3.09Å
151Y83.4Confident86.1Confident58 Ų5858.5 Ų58.523%0.22730%0.301CS..THydrogen-bonded Turntrans58.917.8173-48.7-66.5000116.6P32 P34 L45 L125P32-Y151 HydrophobicContact CG-CE2 4.42Å; P32-Y151 WeakPolarHBondContact O-CE2 3.37Å; P32-Y151 PolarHBondContact O-OH 3.16Å; P34-Y151 HydrophobicContact CB-CE2 4.34Å; P34-Y151 VanDerWaalsContact CD-OH 3.3Å; P34-Y151 WeakPolarHBondContact CD-OH 3.38Å; L45-Y151 HydrophobicContact CD2-CD1 4.25Å; L45-Y151 HydrophobicContact CD2-CG 4.33Å; L125-Y151 PolarHBondContact O-N 2.81Å
152V87.2Confident86.1Confident74 Ų7457.4 Ų57.445%0.44830%0.296SS..  trans-128.8141178.2-174.90000109.5G126 G127 P150 T162G126-V152 CarbonylContact C-O 3.57Å; G127-V152 WeakPolarHBondContact CA-O 3.07Å; G127-V152 PolarHBondContact N-O 3.24Å; P150-V152 PolarHBondContact O-N 2.97Å; P150-V152 VanDerWaalsContact O-N 3.09Å; V152-T162 HydrophobicContact CB-CG2 4.09Å; V152-T162 HydrophobicContact CG1-CG2 3.65Å
153S88.9Confident86.3Confident51 Ų5155.2 Ų55.236%0.35729%0.293SS..  trans-72148.3173.8-1770000111.2T112 D155T112-S153 PolarHBondContact OG1-OG 3.42Å; S153-D155 PolarHBondContact O-N 3.47Å
154G89.5Confident86.3Confident5 Ų549.7 Ų49.75%0.05227%0.267CS..  trans-59.3123.2166.800000109.9T112T112-G154 PolarHBondContact OG1-N 3.21Å
155D87.9Confident86.1Confident31 Ų3152.4 Ų52.417%0.16628%0.28CS..  trans-88.3-17.7-171.863.20.1000114.9S129 S153 Q157 S160 A161 T162S129-D155 WeakPolarHBondContact CB-OD1 3.25Å; S129-D155 PolarHBondContact OG-N 3.35Å; S129-D155 PolarHBondContact OG-OD1 2.99Å; S153-D155 PolarHBondContact O-N 3.47Å; D155-Q157 HydrophobicContact CB-CG 4.26Å; D155-Q157 PolarHBondContact O-N 3.14Å; D155-Q157 VanDerWaalsContact O-N 3.12Å; D155-Q157 PolarHBondContact OD1-N 3.35Å; D155-S160 VanDerWaalsContact OD1-CB 3.3Å; D155-S160 WeakPolarHBondContact OD1-CB 3.15Å; D155-S160 PolarHBondContact OD1-OG 2.93Å; D155-S160 WeakPolarHBondContact OD2-CA 3.11Å; D155-S160 PolarHBondContact OD2-OG 3.09Å; D155-S160 VanDerWaalsContact OD2-OG 3.09Å; D155-A161 PolarHBondContact OD2-N 3.35Å; D155-T162 PolarHBondContact N-OG1 3.03Å; D155-T162 PolarHBondContact OD1-OG1 2.92Å
156G85.5Confident85.3Confident2 Ų253.1 Ų53.12%0.02129%0.287CS..  trans61.115.5-177.700000115.5F67 C108 S129F67-G156 VanDerWaalsContact CB-O 3.27Å; F67-G156 WeakPolarHBondContact CB-O 3.45Å; C108-G156 WeakPolarHBondContact CB-O 3.28Å; S129-G156 PolarHBondContact OG-N 3.44Å
157Q84.4Confident83.7Confident104 Ų10460.8 Ų60.849%0.48632%0.316SS..  trans-87.7152.5-175.9-62.6-172.33.500112.5D155 H159 S160D155-Q157 HydrophobicContact CB-CG 4.26Å; D155-Q157 PolarHBondContact O-N 3.14Å; D155-Q157 VanDerWaalsContact O-N 3.12Å; D155-Q157 PolarHBondContact OD1-N 3.35Å; Q157-H159 VanDerWaalsContact C-N 3.31Å; Q157-H159 PolarHBondContact O-N 3.06Å; Q157-S160 WeakPolarHBondContact O-CB 3.48Å; Q157-S160 PolarHBondContact O-N 3.46Å
158L74.7Confident81.7Confident114 Ų11463.9 Ų63.960%0.59734%0.337SS*.THydrogen-bonded Turntrans-64.2-38.8175.4-170.570.9000111.7D106D106-L158 HydrophobicContact CB-CD1 4.45Å
159H82.5Confident79.4Confident169 Ų16967.2 Ų67.278%0.78237%0.372SS*.THydrogen-bonded Turntrans-100.259.6170.1-63.6-67000110.1Q157Q157-H159 VanDerWaalsContact C-N 3.31Å; Q157-H159 PolarHBondContact O-N 3.06Å
160S83.7Confident77Confident24 Ų2471.5 Ų71.517%0.16840%0.396CS..  trans-59.3134.8-173.9-179.40000113S129 D155 Q157 T162 P163S129-S160 WeakPolarHBondContact CB-OG 3.29Å; D155-S160 VanDerWaalsContact OD1-CB 3.3Å; D155-S160 WeakPolarHBondContact OD1-CB 3.15Å; D155-S160 PolarHBondContact OD1-OG 2.93Å; D155-S160 WeakPolarHBondContact OD2-CA 3.11Å; D155-S160 PolarHBondContact OD2-OG 3.09Å; D155-S160 VanDerWaalsContact OD2-OG 3.09Å; Q157-S160 WeakPolarHBondContact O-CB 3.48Å; Q157-S160 PolarHBondContact O-N 3.46Å; S160-T162 VanDerWaalsContact C-N 3.28Å; S160-T162 WeakPolarHBondContact OG-CA 3.45Å; S160-T162 PolarHBondContact OG-N 3.38Å; S160-T162 PolarHBondContact OG-O 2.93Å; S160-T162 PolarHBondContact OG-OG1 3.18Å; S160-P163 WeakPolarHBondContact O-CD 3.31Å
161A85.5Confident74.6Confident77 Ų7778.3 Ų78.364%0.63642%0.423SS*.SBendtrans-74.9-18.7163.800000112.1D155 P163D155-A161 PolarHBondContact OD2-N 3.35Å; A161-P163 VanDerWaalsContact O-CD 3.3Å; A161-P163 WeakPolarHBondContact O-CD 3.37Å
162T89.5Confident72.2Confident2 Ų281.2 Ų81.21%0.01245%0.449CS..SBendtrans-115.554.6174.759.80000112.8T128 S129 W149 V152 D155 S160 G164T128-T162 CarbonylContact C-O 3.59Å; S129-T162 PolarHBondContact N-O 2.95Å; S129-T162 PolarHBondContact OG-OG1 2.9Å; W149-T162 HydrophobicContact CB-CG2 3.93Å; W149-T162 VanDerWaalsContact CD1-C 3.45Å; W149-T162 HydrophobicContact CG-CG2 4.14Å; V152-T162 HydrophobicContact CB-CG2 4.09Å; V152-T162 HydrophobicContact CG1-CG2 3.65Å; D155-T162 PolarHBondContact N-OG1 3.03Å; D155-T162 PolarHBondContact OD1-OG1 2.92Å; S160-T162 VanDerWaalsContact C-N 3.28Å; S160-T162 WeakPolarHBondContact OG-CA 3.45Å; S160-T162 PolarHBondContact OG-N 3.38Å; S160-T162 PolarHBondContact OG-O 2.93Å; S160-T162 PolarHBondContact OG-OG1 3.18Å; T162-G164 PolarHBondContact O-N 2.87Å
163P89.8Confident69.6Low42 Ų4284.5 Ų84.527%0.27347%0.469SS..BIsolated β-bridgetrans-70.4121.3-174.529.7-34000110.6W149 S160 A161 K165W149-P163 HydrophobicContact CZ2-CG 3.97Å; W149-P163 PolarHBondContact NE1-O 3.02Å; S160-P163 WeakPolarHBondContact O-CD 3.31Å; A161-P163 VanDerWaalsContact O-CD 3.3Å; A161-P163 WeakPolarHBondContact O-CD 3.37Å; P163-K165 VanDerWaalsContact C-N 3.32Å; P163-K165 PolarHBondContact O-N 3.36Å
164G84.8Confident66.8Low3 Ų388.1 Ų88.13%0.03149%0.493CS..SBendtrans-71.2-28.517700000113.3T128 S129 L146 K147 T162T128-G164 WeakPolarHBondContact OG1-CA 3.31Å; T128-G164 PolarHBondContact OG1-N 3.5Å; S129-G164 PolarHBondContact O-N 3.31Å; L146-G164 WeakPolarHBondContact CA-O 3.43Å; K147-G164 PolarHBondContact N-O 3.28Å; T162-G164 PolarHBondContact O-N 2.87Å
165K83.5Confident64.3Low114 Ų11492 Ų9250%0.49653%0.525SS..SBendtrans-103.189.6176.1-166-178.4-175.7-179.10110.6P163 R167P163-K165 VanDerWaalsContact C-N 3.32Å; P163-K165 PolarHBondContact O-N 3.36Å; K165-R167 PolarHBondContact O-N 3.17Å
166V67.7Low61.9Low85 Ų8594.5 Ų94.552%0.51555%0.545SS..  trans-69.7128175.3-169.80000109.3K147 T168K147-V166 HydrophobicContact CB-CG2 4.04Å; K147-V166 HydrophobicContact CD-CG2 3.73Å; K147-V166 HydrophobicContact CG-CG2 4.47Å; V166-T168 PolarHBondContact O-N 2.77Å
167R56.4Low59.8Low163 Ų163103.3 Ų103.362%0.61559%0.585SS**  trans-74.2119.7174.3-69.2-175.9-177.3170.39108.5K135 K165 G169K135-R167 VanDerWaalsContact CE-NH2 3.32Å; K165-R167 PolarHBondContact O-N 3.17Å; R167-G169 VanDerWaalsContact C-N 3.34Å; R167-G169 PolarHBondContact O-N 3.42Å
168T46.9Very low58.1Low96 Ų96102.3 Ų102.359%0.58959%0.59SS**THydrogen-bonded Turntrans-57.695.2163.4170000108.4V166V166-T168 PolarHBondContact O-N 2.77Å
169G42.1Very low56.9Low72 Ų7299.2 Ų99.274%0.74258%0.576SS**THydrogen-bonded Turntrans151.12.2174.900000119.2R167R167-G169 VanDerWaalsContact C-N 3.34Å; R167-G169 PolarHBondContact O-N 3.42Å
170Q37.6Very low55.5Low170 Ų17096.8 Ų96.879%0.79457%0.569SS**  trans-134.483.9175.3-75.3-178.1-20.500112
171Q36.2Very low54Low188 Ų188103 Ų10388%0.87959%0.593SS**SBendtrans-139.1152152.4-104-173.9-7.200107.9
172P32.1Very low52.5Low120 Ų120106.1 Ų106.178%0.77959%0.588SS**  trans-70152.4-165.783.1000112.5C174P172-C174 PolarHBondContact O-N 3.21Å; P172-C174 VanDerWaalsContact O-N 3.12Å
173V31.4Very low50.9Low143 Ų143110.7 Ų110.787%0.86761%0.608SS**SBendtrans-43.5109.6174.4-178.50000110.6
174C31.9Very low49.6Very low126 Ų126112.1 Ų112.185%0.85162%0.619SS**  trans158.978.8154-84.90000110.1P172P172-C174 PolarHBondContact O-N 3.21Å; P172-C174 VanDerWaalsContact O-N 3.12Å
175A35.5Very low48.8Very low88 Ų88118.5 Ų118.573%0.72764%0.642SS**  trans-152.7134.1163.100000110.9
176S37.7Very low48.1Very low83 Ų83114.2 Ų114.258%0.5862%0.624SS**  trans-56.4153.2-173.750.60000116.2S178 T179S176-S178 PolarHBondContact O-N 3.43Å; S176-T179 PolarHBondContact O-N 2.94Å; S176-T179 PolarHBondContact O-OG1 3.01Å
177E41.8Very low48Very low186 Ų186113 Ų11387%0.86962%0.615SS**THydrogen-bonded Turntrans-52-17-175.5-67.1178.6151.500116.8
178S49Very low48.9Very low83 Ų83113.8 Ų113.858%0.5862%0.618SS**Hα-helixtrans-77.9-21.1-178.861.30000114.5S176S176-S178 PolarHBondContact O-N 3.43Å
179T50.1Low50.3Low50 Ų50110.4 Ų110.431%0.30760%0.597SS.*Hα-helixtrans-79.8-23.3179.629.80000114.5S176 K183S176-T179 PolarHBondContact O-N 2.94Å; S176-T179 PolarHBondContact O-OG1 3.01Å; T179-K183 WeakPolarHBondContact O-CG 3.48Å; T179-K183 PolarHBondContact O-N 3.46Å
180D51.2Low51.6Low118 Ų118108.6 Ų108.663%0.63157%0.573SS**Hα-helixtrans-71.5-34.1-177.8-90.6-13.9000113S184D180-S184 WeakPolarHBondContact O-CB 3.39Å; D180-S184 PolarHBondContact O-N 3.43Å
181F52.9Low53.4Low153 Ų153107.3 Ų107.367%0.67157%0.565SS**Hα-helixtrans-70.3-37179.3-158.2-94.4000112.5R185F181-R185 HydrophobicContact CD1-CG 4.45Å; F181-R185 HydrophobicContact CE1-CG 4.38Å; F181-R185 WeakPolarHBondContact O-CG 3.38Å; F181-R185 PolarHBondContact O-N 2.91Å
182R54.2Low55.4Low143 Ų143102 Ų10254%0.5454%0.542SS..Hα-helixtrans-68.4-44.6175.4-76.1-174.4-178.7145-1.1111.8S184 R185 I186R182-S184 PolarHBondContact O-N 3.34Å; R182-R185 PolarHBondContact O-N 3.17Å; R182-I186 PolarHBondContact O-N 2.89Å
183K56.5Low57.4Low99 Ų9997.5 Ų97.543%0.4351%0.514SS..Hα-helixtrans-59.9-42.9175.7-74.6177.2179.7174.60112.1T179 R185 I186 D187T179-K183 WeakPolarHBondContact O-CG 3.48Å; T179-K183 PolarHBondContact O-N 3.46Å; K183-R185 PolarHBondContact O-N 3.38Å; K183-I186 PolarHBondContact O-N 3.28Å; K183-D187 PolarHBondContact O-N 3.25Å
184S62.1Low59.1Low72 Ų7297.5 Ų97.550%0.50350%0.502SS..Hα-helixtrans-60.6-39.8175.1175.30000113.3D180 R182 R188D180-S184 WeakPolarHBondContact O-CB 3.39Å; D180-S184 PolarHBondContact O-N 3.43Å; R182-S184 PolarHBondContact O-N 3.34Å; S184-R188 WeakPolarHBondContact O-CB 3.28Å; S184-R188 PolarHBondContact O-N 3.28Å
185R67.5Low61.1Low136 Ų13694.9 Ų94.951%0.51348%0.479SS..Hα-helixtrans-63.8-43.8178-78.7-179.566.4169.7-0.1112.6F181 R182 K183 R188 V189F181-R185 HydrophobicContact CD1-CG 4.45Å; F181-R185 HydrophobicContact CE1-CG 4.38Å; F181-R185 WeakPolarHBondContact O-CG 3.38Å; F181-R185 PolarHBondContact O-N 2.91Å; R182-R185 PolarHBondContact O-N 3.17Å; K183-R185 PolarHBondContact O-N 3.38Å; R185-R188 PolarHBondContact O-N 3.22Å; R185-V189 WeakPolarHBondContact O-CG2 3.29Å; R185-V189 PolarHBondContact O-N 2.97Å
186I69.1Low63.1Low25 Ų2591.8 Ų91.813%0.12845%0.449CS..Hα-helixtrans-70.3-41.4-177.5-64.8170.4000111.3R182 K183 R188 V189 S190 I218 F219 D222R182-I186 PolarHBondContact O-N 2.89Å; K183-I186 PolarHBondContact O-N 3.28Å; I186-R188 VanDerWaalsContact C-N 3.3Å; I186-R188 PolarHBondContact O-N 3.33Å; I186-V189 PolarHBondContact O-N 3.16Å; I186-S190 WeakPolarHBondContact O-CB 3.47Å; I186-S190 PolarHBondContact O-N 3.45Å; I186-S190 PolarHBondContact O-OG 2.82Å; I186-I218 HydrophobicContact CG1-CG2 4.26Å; I186-F219 HydrophobicContact CG2-CD1 4.12Å; I186-F219 HydrophobicContact CG2-CE1 3.6Å; I186-F219 HydrophobicContact CG2-CZ 4.45Å; I186-D222 HydrophobicContact CD1-CB 3.39Å; I186-D222 WeakPolarHBondContact CD1-OD1 3.04Å; I186-D222 WeakPolarHBondContact CD1-OD2 3.5Å
187D66.3Low64.5Low59 Ų5992.3 Ų92.332%0.31644%0.441SS..Hα-helixtrans-62.4-38.3173.8-84.2-23.3000111.5K183 K191K183-D187 PolarHBondContact O-N 3.25Å; D187-K191 WeakPolarHBondContact O-CB 3.44Å; D187-K191 VanDerWaalsContact O-CG 3.3Å; D187-K191 WeakPolarHBondContact O-CG 3.47Å; D187-K191 PolarHBondContact O-N 2.84Å
188R74.1Confident65.7Low179 Ų17985.7 Ų85.768%0.67542%0.422SS*.Hα-helixtrans-66-46.5175.7-172.5176.7179-178.6-0.7111.9S184 R185 I186 S190 K191 L192S184-R188 WeakPolarHBondContact O-CB 3.28Å; S184-R188 PolarHBondContact O-N 3.28Å; R185-R188 PolarHBondContact O-N 3.22Å; I186-R188 VanDerWaalsContact C-N 3.3Å; I186-R188 PolarHBondContact O-N 3.33Å; R188-S190 VanDerWaalsContact C-N 3.34Å; R188-S190 PolarHBondContact O-N 2.96Å; R188-K191 PolarHBondContact O-N 2.8Å; R188-L192 HydrophobicContact CG-CD1 4.15Å; R188-L192 WeakPolarHBondContact O-CG 3.33Å; R188-L192 PolarHBondContact O-N 3.47Å
189V77.1Confident66.6Low26 Ų2684.3 Ų84.316%0.15842%0.421CS..Hα-helixtrans-62.6-41176.7170.60000111.1R185 I186 K191 L192 S193 V215 F219R185-V189 WeakPolarHBondContact O-CG2 3.29Å; R185-V189 PolarHBondContact O-N 2.97Å; I186-V189 PolarHBondContact O-N 3.16Å; V189-K191 PolarHBondContact O-N 3.01Å; V189-L192 PolarHBondContact O-N 2.87Å; V189-S193 WeakPolarHBondContact O-CB 3.01Å; V189-S193 PolarHBondContact O-N 3.11Å; V189-S193 PolarHBondContact O-OG 3.34Å; V189-V215 HydrophobicContact CG1-CB 4.29Å; V189-V215 HydrophobicContact CG1-CG1 3.69Å; V189-V215 HydrophobicContact CG1-CG2 3.76Å; V189-F219 HydrophobicContact CG1-CE2 3.92Å; V189-F219 HydrophobicContact CG1-CZ 4.22Å
190S70Confident67.7Low33 Ų3387.7 Ų87.723%0.23144%0.435CS..Hα-helixtrans-64.1-38175.3-65.60000112.9I186 R188 K194 F219I186-S190 WeakPolarHBondContact O-CB 3.47Å; I186-S190 PolarHBondContact O-N 3.45Å; I186-S190 PolarHBondContact O-OG 2.82Å; R188-S190 VanDerWaalsContact C-N 3.34Å; R188-S190 PolarHBondContact O-N 2.96Å; S190-K194 WeakPolarHBondContact O-CG 3.44Å; S190-K194 PolarHBondContact O-N 3.29Å; S190-F219 WeakPolarHBondContact OG-CZ 3.43Å
191K75.1Confident68.8Low143 Ų14385.5 Ų85.562%0.62242%0.422SS*.Hα-helixtrans-67.1-45.7173.9-76.6172.9-176174.30111.6D187 R188 V189 K194 L195D187-K191 WeakPolarHBondContact O-CB 3.44Å; D187-K191 VanDerWaalsContact O-CG 3.3Å; D187-K191 WeakPolarHBondContact O-CG 3.47Å; D187-K191 PolarHBondContact O-N 2.84Å; R188-K191 PolarHBondContact O-N 2.8Å; V189-K191 PolarHBondContact O-N 3.01Å; K191-K194 WeakPolarHBondContact O-CB 3.2Å; K191-K194 PolarHBondContact O-N 2.88Å; K191-L195 PolarHBondContact O-N 3.46Å
192L77.6Confident70Confident76 Ų7686.1 Ų86.140%0.39843%0.427SS..Hα-helixtrans-65.3-39.2178.4-72170000112R188 V189 K194 L195 Y196 M201R188-L192 HydrophobicContact CG-CD1 4.15Å; R188-L192 WeakPolarHBondContact O-CG 3.33Å; R188-L192 PolarHBondContact O-N 3.47Å; V189-L192 PolarHBondContact O-N 2.87Å; L192-K194 VanDerWaalsContact C-N 3.28Å; L192-K194 PolarHBondContact O-N 3.15Å; L192-L195 HydrophobicContact CD2-CD1 4.38Å; L192-L195 WeakPolarHBondContact O-CB 3.27Å; L192-L195 PolarHBondContact O-N 3.5Å; L192-L195 VanDerWaalsContact O-N 3.1Å; L192-Y196 PolarHBondContact O-N 3.27Å; L192-M201 HydrophobicContact CD2-SD 4.35Å; L192-M201 WeakPolarHBondContact O-CE 3.3Å
193S74Confident71.2Confident27 Ų2785.8 Ų85.819%0.18943%0.429CS..Hα-helixtrans-60.2-39.3175.1-59.50000111.5V189 Y196 F197V189-S193 WeakPolarHBondContact O-CB 3.01Å; V189-S193 PolarHBondContact O-N 3.11Å; V189-S193 PolarHBondContact O-OG 3.34Å; S193-Y196 WeakPolarHBondContact O-CB 3.33Å; S193-Y196 PolarHBondContact O-N 2.72Å; S193-F197 WeakPolarHBondContact O-CD2 3.45Å; S193-F197 PolarHBondContact O-N 3.4Å
194K68.2Low72.7Confident143 Ų14384.1 Ų84.162%0.62242%0.424SS*.Hα-helixtrans-64.8-38.4174.3-71.7170.4-172.8165.70112.8S190 K191 L192 G198S190-K194 WeakPolarHBondContact O-CG 3.44Å; S190-K194 PolarHBondContact O-N 3.29Å; K191-K194 WeakPolarHBondContact O-CB 3.2Å; K191-K194 PolarHBondContact O-N 2.88Å; L192-K194 VanDerWaalsContact C-N 3.28Å; L192-K194 PolarHBondContact O-N 3.15Å; K194-G198 PolarHBondContact O-N 2.81Å
195L72.7Confident73.5Confident70 Ų7086.4 Ų86.437%0.36643%0.431SS..Hα-helixtrans-66.9-40.7175.5-68171.7000111.3K191 L192 G198 G199 M200 M201K191-L195 PolarHBondContact O-N 3.46Å; L192-L195 HydrophobicContact CD2-CD1 4.38Å; L192-L195 WeakPolarHBondContact O-CB 3.27Å; L192-L195 PolarHBondContact O-N 3.5Å; L192-L195 VanDerWaalsContact O-N 3.1Å; L195-G198 PolarHBondContact O-N 2.88Å; L195-G199 PolarHBondContact O-N 2.72Å; L195-M200 HydrophobicContact CB-CB 4.37Å; L195-M200 HydrophobicContact CD2-CB 4.17Å; L195-M200 HydrophobicContact CD2-CE 3.87Å; L195-M200 HydrophobicContact CD2-CG 4.4Å; L195-M200 WeakPolarHBondContact O-CB 3.41Å; L195-M200 PolarHBondContact O-N 2.85Å; L195-M201 HydrophobicContact CB-CG 4.15Å; L195-M201 HydrophobicContact CB-SD 4.34Å
196Y77.6Confident74.6Confident24 Ų2488.2 Ų88.29%0.09444%0.438CS..Hα-helixtrans-58.6-56.6175.4-177.1-94.2000111.3L192 S193 G198 G199 M201 K203 D208 F212L192-Y196 PolarHBondContact O-N 3.27Å; S193-Y196 WeakPolarHBondContact O-CB 3.33Å; S193-Y196 PolarHBondContact O-N 2.72Å; Y196-G198 PolarHBondContact O-N 2.74Å; Y196-G199 PolarHBondContact O-N 3.16Å; Y196-G199 VanDerWaalsContact O-N 3.1Å; Y196-M201 HydrophobicContact CD2-CB 4.47Å; Y196-M201 HydrophobicContact CD2-CE 3.95Å; Y196-M201 HydrophobicContact CG-CE 4.16Å; Y196-K203 HydrophobicContact CE2-CB 4.49Å; Y196-K203 HydrophobicContact CE2-CG 4Å; Y196-D208 VanDerWaalsContact CE2-OD1 3.26Å; Y196-D208 WeakPolarHBondContact CE2-OD1 3.31Å; Y196-D208 PolarHBondContact OH-OD2 2.96Å; Y196-F212 HydrophobicContact CD1-CE1 4.18Å; Y196-F212 AromaticContact CD1-CZ 3.82Å; Y196-F212 HydrophobicContact CD1-CZ 3.82Å; Y196-F212 HydrophobicContact CE1-CE1 4.18Å; Y196-F212 HydrophobicContact CE1-CE2 4.28Å; Y196-F212 AromaticContact CE1-CZ 3.37Å; Y196-F212 HydrophobicContact CE1-CZ 3.37Å; Y196-F212 AromaticContact CZ-CZ 3.77Å
197F67.1Low75.4Confident93 Ų9390.2 Ų90.241%0.40845%0.449SS..Hα-helixtrans-70.6-21.2-178.1-68.3-62000113.1S193 G199 F212S193-F197 WeakPolarHBondContact O-CD2 3.45Å; S193-F197 PolarHBondContact O-N 3.4Å; F197-G199 PolarHBondContact O-N 3.4Å; F197-F212 HydrophobicContact CE1-CE1 4.47Å; F197-F212 HydrophobicContact CE1-CZ 4.24Å; F197-F212 HydrophobicContact CE2-CE1 4.37Å; F197-F212 AromaticContact CZ-CE1 3.78Å; F197-F212 HydrophobicContact CZ-CE1 3.78Å; F197-F212 AromaticContact CZ-CZ 3.98Å; F197-F212 HydrophobicContact CZ-CZ 3.98Å
198G66.2Low76.3Confident47 Ų4788.1 Ų88.149%0.48544%0.437SS..THydrogen-bonded Turntrans-78.31.6171.900000114.6K194 L195 Y196 M200K194-G198 PolarHBondContact O-N 2.81Å; L195-G198 PolarHBondContact O-N 2.88Å; Y196-G198 PolarHBondContact O-N 2.74Å; G198-M200 PolarHBondContact O-N 3.21Å
199G69.4Low76.7Confident54 Ų5488.5 Ų88.556%0.55744%0.439SS*.THydrogen-bonded Turntrans72.715.1179.400000114.4L195 Y196 F197 M201L195-G199 PolarHBondContact O-N 2.72Å; Y196-G199 PolarHBondContact O-N 3.16Å; Y196-G199 VanDerWaalsContact O-N 3.1Å; F197-G199 PolarHBondContact O-N 3.4Å; G199-M201 VanDerWaalsContact C-N 3.33Å
200M72.3Confident77.1Confident121 Ų12192.2 Ų92.260%0.59646%0.457SS*.  trans-90.6-0.8-180-61.6-103.6-74.100112.3L195 G198L195-M200 HydrophobicContact CB-CB 4.37Å; L195-M200 HydrophobicContact CD2-CB 4.17Å; L195-M200 HydrophobicContact CD2-CE 3.87Å; L195-M200 HydrophobicContact CD2-CG 4.4Å; L195-M200 WeakPolarHBondContact O-CB 3.41Å; L195-M200 PolarHBondContact O-N 2.85Å; G198-M200 PolarHBondContact O-N 3.21Å
201M75.9Confident77.7Confident72 Ų7293.8 Ų93.836%0.35547%0.465SS..SBendtrans-128144.4172.6-56.8-161.9-54.200109L192 L195 Y196 G199L192-M201 HydrophobicContact CD2-SD 4.35Å; L192-M201 WeakPolarHBondContact O-CE 3.3Å; L195-M201 HydrophobicContact CB-CG 4.15Å; L195-M201 HydrophobicContact CB-SD 4.34Å; Y196-M201 HydrophobicContact CD2-CB 4.47Å; Y196-M201 HydrophobicContact CD2-CE 3.95Å; Y196-M201 HydrophobicContact CG-CE 4.16Å; G199-M201 VanDerWaalsContact C-N 3.33Å
202E76.8Confident78Confident166 Ų16690 Ų9078%0.77645%0.449SS*.  trans-65.4135.1176.3-170.4174.2-170.400110.2
203K80Confident78Confident137 Ų13795.3 Ų95.360%0.59646%0.463SS*.  trans-89.2125178.8-61.4-174179.9173.50109.5Y196Y196-K203 HydrophobicContact CE2-CB 4.49Å; Y196-K203 HydrophobicContact CE2-CG 4Å
204I86.7Confident78.4Confident64 Ų6499.5 Ų99.533%0.32848%0.48SS..  trans-128.693.3179-57.1177.2000107.3W206 L207 D208I204-W206 VanDerWaalsContact C-N 3.31Å; I204-W206 HydrophobicContact CG2-CG 4.49Å; I204-W206 PolarHBondContact O-N 2.97Å; I204-L207 HydrophobicContact CB-CB 4.12Å; I204-L207 HydrophobicContact CD1-CD2 4.46Å; I204-L207 HydrophobicContact CG2-CB 3.9Å; I204-L207 PolarHBondContact O-N 2.79Å; I204-D208 PolarHBondContact N-OD2 3.02Å; I204-D208 WeakPolarHBondContact O-CB 3.43Å; I204-D208 PolarHBondContact O-N 2.89Å
205D79.8Confident78.8Confident119 Ų11993.8 Ų93.864%0.63646%0.457SS*.Hα-helixtrans-45.2-45.3-167.2-83.3-9.9000115.5R209D205-R209 VanDerWaalsContact O-CG 3.27Å; D205-R209 WeakPolarHBondContact O-CG 3.36Å; D205-R209 PolarHBondContact O-N 2.97Å
206W89.6Confident78.7Confident174 Ų17496.6 Ų96.666%0.65947%0.468SS*.Hα-helixtrans-71.3-39-178.273.1-93.2000112.2I204 I210I204-W206 VanDerWaalsContact C-N 3.31Å; I204-W206 HydrophobicContact CG2-CG 4.49Å; I204-W206 PolarHBondContact O-N 2.97Å; W206-I210 HydrophobicContact CE3-CD1 3.93Å; W206-I210 HydrophobicContact CZ3-CD1 4.06Å; W206-I210 WeakPolarHBondContact O-CG1 3.35Å; W206-I210 PolarHBondContact O-N 3.41Å
207L86.9Confident78.7Confident68 Ų6899 Ų9936%0.35649%0.486SS..Hα-helixtrans-73.3-39178.8-178.163.6000110.4I204 R209 I210 T211I204-L207 HydrophobicContact CB-CB 4.12Å; I204-L207 HydrophobicContact CD1-CD2 4.46Å; I204-L207 HydrophobicContact CG2-CB 3.9Å; I204-L207 PolarHBondContact O-N 2.79Å; L207-R209 PolarHBondContact O-N 3.03Å; L207-I210 PolarHBondContact O-N 3.2Å; L207-T211 VanDerWaalsContact O-CB 3.28Å; L207-T211 WeakPolarHBondContact O-CB 3.26Å; L207-T211 PolarHBondContact O-N 3.44Å; L207-T211 PolarHBondContact O-OG1 3.24Å
208D85.1Confident79.1Confident15 Ų1596.2 Ų96.28%0.0848%0.475CS..Hα-helixtrans-61.4-44.2177.8-64.8-28.9000110.9Y196 I204 I210 T211 F212Y196-D208 VanDerWaalsContact CE2-OD1 3.26Å; Y196-D208 WeakPolarHBondContact CE2-OD1 3.31Å; Y196-D208 PolarHBondContact OH-OD2 2.96Å; I204-D208 PolarHBondContact N-OD2 3.02Å; I204-D208 WeakPolarHBondContact O-CB 3.43Å; I204-D208 PolarHBondContact O-N 2.89Å; D208-I210 PolarHBondContact O-N 2.77Å; D208-T211 PolarHBondContact O-N 2.83Å; D208-F212 HydrophobicContact CB-CD2 4.24Å; D208-F212 HydrophobicContact CB-CE2 3.8Å; D208-F212 HydrophobicContact CB-CZ 4.42Å; D208-F212 WeakPolarHBondContact O-CB 3.27Å; D208-F212 WeakPolarHBondContact O-CD2 3.44Å; D208-F212 WeakPolarHBondContact O-CG 3.43Å; D208-F212 PolarHBondContact O-N 2.92Å
209R82.3Confident79.3Confident187 Ų18796.1 Ų96.171%0.70646%0.461SS*.Hα-helixtrans-58.4-44.1175.8-74.5174-172.3-168.83.9112.8D205 L207 R213D205-R209 VanDerWaalsContact O-CG 3.27Å; D205-R209 WeakPolarHBondContact O-CG 3.36Å; D205-R209 PolarHBondContact O-N 2.97Å; L207-R209 PolarHBondContact O-N 3.03Å; R209-R213 PolarHBondContact O-N 3.37Å
210I85.1Confident79.2Confident104 Ų10495.4 Ų95.453%0.53345%0.45SS..Hα-helixtrans-67.6-43.6177.8-63.8171.5000110W206 L207 D208 R213 Q214W206-I210 HydrophobicContact CE3-CD1 3.93Å; W206-I210 HydrophobicContact CZ3-CD1 4.06Å; W206-I210 WeakPolarHBondContact O-CG1 3.35Å; W206-I210 PolarHBondContact O-N 3.41Å; L207-I210 PolarHBondContact O-N 3.2Å; D208-I210 PolarHBondContact O-N 2.77Å; I210-R213 PolarHBondContact O-N 3.3Å; I210-Q214 PolarHBondContact O-N 3.43Å
211T83.8Confident79.2Confident65 Ų6595.1 Ų95.140%0.39945%0.447SS..Hα-helixtrans-65.2-45.2-177.8-56.50000110.9L207 D208 R213 Q214 V215L207-T211 VanDerWaalsContact O-CB 3.28Å; L207-T211 WeakPolarHBondContact O-CB 3.26Å; L207-T211 PolarHBondContact O-N 3.44Å; L207-T211 PolarHBondContact O-OG1 3.24Å; D208-T211 PolarHBondContact O-N 2.83Å; T211-R213 PolarHBondContact O-N 3.4Å; T211-Q214 PolarHBondContact O-N 3.19Å; T211-V215 HydrophobicContact CG2-CG2 4.32Å; T211-V215 WeakPolarHBondContact O-CB 3.38Å; T211-V215 VanDerWaalsContact O-CG2 3.23Å; T211-V215 WeakPolarHBondContact O-CG2 3.29Å; T211-V215 PolarHBondContact O-N 3.38Å
212F80.1Confident78.8Confident65 Ų6593.5 Ų93.529%0.28544%0.44SS..Hα-helixtrans-60.8-42.5176.5-68.2-43.4000112.7Y196 F197 D208 Q214 V215 E216Y196-F212 HydrophobicContact CD1-CE1 4.18Å; Y196-F212 AromaticContact CD1-CZ 3.82Å; Y196-F212 HydrophobicContact CD1-CZ 3.82Å; Y196-F212 HydrophobicContact CE1-CE1 4.18Å; Y196-F212 HydrophobicContact CE1-CE2 4.28Å; Y196-F212 AromaticContact CE1-CZ 3.37Å; Y196-F212 HydrophobicContact CE1-CZ 3.37Å; Y196-F212 AromaticContact CZ-CZ 3.77Å; F197-F212 HydrophobicContact CE1-CE1 4.47Å; F197-F212 HydrophobicContact CE1-CZ 4.24Å; F197-F212 HydrophobicContact CE2-CE1 4.37Å; F197-F212 AromaticContact CZ-CE1 3.78Å; F197-F212 HydrophobicContact CZ-CE1 3.78Å; F197-F212 AromaticContact CZ-CZ 3.98Å; F197-F212 HydrophobicContact CZ-CZ 3.98Å; D208-F212 HydrophobicContact CB-CD2 4.24Å; D208-F212 HydrophobicContact CB-CE2 3.8Å; D208-F212 HydrophobicContact CB-CZ 4.42Å; D208-F212 WeakPolarHBondContact O-CB 3.27Å; D208-F212 WeakPolarHBondContact O-CD2 3.44Å; D208-F212 WeakPolarHBondContact O-CG 3.43Å; D208-F212 PolarHBondContact O-N 2.92Å; F212-Q214 VanDerWaalsContact C-N 3.29Å; F212-Q214 PolarHBondContact O-N 3.46Å; F212-V215 PolarHBondContact O-N 2.9Å; F212-E216 WeakPolarHBondContact O-CG 3.39Å; F212-E216 PolarHBondContact O-N 2.9Å
213R78.7Confident78.2Confident187 Ų18787.8 Ų87.871%0.70641%0.411SS*.Hα-helixtrans-62-38.9175.8-168.7176.7-178.3149.21112R209 I210 T211 T217R209-R213 PolarHBondContact O-N 3.37Å; I210-R213 PolarHBondContact O-N 3.3Å; T211-R213 PolarHBondContact O-N 3.4Å; R213-T217 PolarHBondContact O-N 2.94Å; R213-T217 PolarHBondContact O-OG1 3.06Å
214Q81.4Confident77.5Confident114 Ų11486.8 Ų86.853%0.53341%0.412SS..Hα-helixtrans-70.5-38.5176.3-166.864.8400112I210 T211 F212 T217 I218I210-Q214 PolarHBondContact O-N 3.43Å; T211-Q214 PolarHBondContact O-N 3.19Å; F212-Q214 VanDerWaalsContact C-N 3.29Å; F212-Q214 PolarHBondContact O-N 3.46Å; Q214-T217 WeakPolarHBondContact O-CB 3.49Å; Q214-T217 PolarHBondContact O-N 3.33Å; Q214-I218 HydrophobicContact CG-CD1 4.4Å; Q214-I218 VanDerWaalsContact O-CG1 3.29Å; Q214-I218 WeakPolarHBondContact O-CG1 3.46Å; Q214-I218 PolarHBondContact O-N 3.4Å
215V77.2Confident76.4Confident23 Ų2387.2 Ų87.214%0.13942%0.421CS..Hα-helixtrans-61.5-47.3174.4168.70000110.6V189 T211 F212 T217 I218 F219V189-V215 HydrophobicContact CG1-CB 4.29Å; V189-V215 HydrophobicContact CG1-CG1 3.69Å; V189-V215 HydrophobicContact CG1-CG2 3.76Å; T211-V215 HydrophobicContact CG2-CG2 4.32Å; T211-V215 WeakPolarHBondContact O-CB 3.38Å; T211-V215 VanDerWaalsContact O-CG2 3.23Å; T211-V215 WeakPolarHBondContact O-CG2 3.29Å; T211-V215 PolarHBondContact O-N 3.38Å; F212-V215 PolarHBondContact O-N 2.9Å; V215-T217 VanDerWaalsContact C-N 3.3Å; V215-T217 PolarHBondContact O-N 3.04Å; V215-I218 PolarHBondContact O-N 2.97Å; V215-F219 HydrophobicContact CG1-CD2 3.57Å; V215-F219 HydrophobicContact CG1-CE2 3.39Å; V215-F219 WeakPolarHBondContact O-CD2 3.5Å; V215-F219 PolarHBondContact O-N 3.35Å
216E71.8Confident75.6Confident129 Ų12985.7 Ų85.760%0.60341%0.41SS*.Hα-helixtrans-56.1-43.9173.4-77.9177.517700111.8F212 I218 F219 A220F212-E216 WeakPolarHBondContact O-CG 3.39Å; F212-E216 PolarHBondContact O-N 2.9Å; E216-I218 PolarHBondContact O-N 3.4Å; E216-F219 PolarHBondContact O-N 3.16Å; E216-A220 WeakPolarHBondContact O-CB 3.32Å; E216-A220 PolarHBondContact O-N 2.77Å
217T76.8Confident74.3Confident76 Ų7682.5 Ų82.547%0.46641%0.413SS..Hα-helixtrans-62.5-41.5178.3-54.60000111.8R213 Q214 V215 A220 H221R213-T217 PolarHBondContact O-N 2.94Å; R213-T217 PolarHBondContact O-OG1 3.06Å; Q214-T217 WeakPolarHBondContact O-CB 3.49Å; Q214-T217 PolarHBondContact O-N 3.33Å; V215-T217 VanDerWaalsContact C-N 3.3Å; V215-T217 PolarHBondContact O-N 3.04Å; T217-A220 PolarHBondContact O-N 3.37Å; T217-H221 WeakPolarHBondContact O-CB 3.39Å; T217-H221 PolarHBondContact O-N 2.79Å
218I75.2Confident73.6Confident34 Ų3481 Ų8117%0.17441%0.405CS..Hα-helixtrans-63.8-46.2176.8-68.8164.6000110.6I186 Q214 V215 E216 H221 D222I186-I218 HydrophobicContact CG1-CG2 4.26Å; Q214-I218 HydrophobicContact CG-CD1 4.4Å; Q214-I218 VanDerWaalsContact O-CG1 3.29Å; Q214-I218 WeakPolarHBondContact O-CG1 3.46Å; Q214-I218 PolarHBondContact O-N 3.4Å; V215-I218 PolarHBondContact O-N 2.97Å; E216-I218 PolarHBondContact O-N 3.4Å; I218-H221 PolarHBondContact O-N 3.48Å; I218-D222 PolarHBondContact O-N 2.87Å
219F69.7Low73.5Confident44 Ų4480.6 Ų80.619%0.19340%0.403CS..Hα-helixtrans-68.1-36.4178.3-77.2-68.3000112.4I186 V189 S190 V215 E216 R223I186-F219 HydrophobicContact CG2-CD1 4.12Å; I186-F219 HydrophobicContact CG2-CE1 3.6Å; I186-F219 HydrophobicContact CG2-CZ 4.45Å; V189-F219 HydrophobicContact CG1-CE2 3.92Å; V189-F219 HydrophobicContact CG1-CZ 4.22Å; S190-F219 WeakPolarHBondContact OG-CZ 3.43Å; V215-F219 HydrophobicContact CG1-CD2 3.57Å; V215-F219 HydrophobicContact CG1-CE2 3.39Å; V215-F219 WeakPolarHBondContact O-CD2 3.5Å; V215-F219 PolarHBondContact O-N 3.35Å; E216-F219 PolarHBondContact O-N 3.16Å; F219-R223 VanDerWaalsContact O-CG 3.24Å; F219-R223 WeakPolarHBondContact O-CG 3.18Å; F219-R223 PolarHBondContact O-N 3.38Å; F219-R223 PolarHBondContact O-NE 3.31Å
220A69Low73.7Confident40 Ų4073.3 Ų73.333%0.33138%0.376SS..Hα-helixtrans-63.1-44.5175.200000111.7E216 T217 D222 R223 D224E216-A220 WeakPolarHBondContact O-CB 3.32Å; E216-A220 PolarHBondContact O-N 2.77Å; T217-A220 PolarHBondContact O-N 3.37Å; A220-D222 PolarHBondContact O-N 2.84Å; A220-R223 WeakPolarHBondContact O-CB 3.46Å; A220-R223 PolarHBondContact O-N 3.41Å; A220-D224 PolarHBondContact O-N 3.21Å
221H71.8Confident74Confident114 Ų11468.3 Ų68.353%0.52835%0.351SS..Hα-helixtrans-64.8-35.9-179.2-168.367.5000113.6T217 I218 S225T217-H221 WeakPolarHBondContact O-CB 3.39Å; T217-H221 PolarHBondContact O-N 2.79Å; I218-H221 PolarHBondContact O-N 3.48Å; H221-S225 PolarHBondContact O-N 2.96Å; H221-S225 PolarHBondContact O-OG 3.12Å
222D67.2Low74.2Confident39 Ų3967 Ų6721%0.20934%0.341CS..Hα-helixtrans-71.2-37.7175.5-165.559.7000112.3I186 I218 A220 S225 Q226I186-D222 HydrophobicContact CD1-CB 3.39Å; I186-D222 WeakPolarHBondContact CD1-OD1 3.04Å; I186-D222 WeakPolarHBondContact CD1-OD2 3.5Å; I218-D222 PolarHBondContact O-N 2.87Å; A220-D222 PolarHBondContact O-N 2.84Å; D222-S225 WeakPolarHBondContact O-CB 3.43Å; D222-S225 PolarHBondContact O-N 2.97Å; D222-Q226 PolarHBondContact O-N 3.33Å; D222-Q226 PolarHBondContact OD1-NE2 2.91Å; D222-Q226 PolarHBondContact OD2-NE2 3.02Å; D222-Q226 VanDerWaalsContact OD2-NE2 3.13Å
223R64.4Low74.9Confident46 Ų4663.9 Ų63.917%0.17433%0.327CS..Hα-helixtrans-61.2-47.4175.6-75.6179.4-84.2-159.6-5.4111.8E28 F219 A220 S225 Q226 C227 F230E28-R223 IonicContact OE2-CZ 3.91Å; E28-R223 VanDerWaalsContact OE2-CZ 3.27Å; E28-R223 IonicContact OE2-NE 2.63Å; E28-R223 IonicContact OE2-NH1 2.83Å; E28-R223 PolarHBondContact OE2-NH1 2.9Å; E28-R223 IonicContact OE2-NH2 3.27Å; F219-R223 VanDerWaalsContact O-CG 3.24Å; F219-R223 WeakPolarHBondContact O-CG 3.18Å; F219-R223 PolarHBondContact O-N 3.38Å; F219-R223 PolarHBondContact O-NE 3.31Å; A220-R223 WeakPolarHBondContact O-CB 3.46Å; A220-R223 PolarHBondContact O-N 3.41Å; R223-S225 PolarHBondContact O-N 3.04Å; R223-Q226 PolarHBondContact O-N 3.43Å; R223-C227 PolarHBondContact O-N 3.04Å; R223-F230 HydrophobicContact CB-CE2 4.46Å; R223-F230 HydrophobicContact CG-CD2 3.78Å; R223-F230 HydrophobicContact CG-CE2 3.83Å
224D64.4Low75.5Confident116 Ų11657.2 Ų57.262%0.6230%0.304SS*.Hα-helixtrans-62.5-30.6177.6-72.1-19.6000112.3A220A220-D224 PolarHBondContact O-N 3.21Å
225S64.5Low76.1Confident72 Ų7252 Ų5250%0.50328%0.28SS..Hα-helixtrans-75.1-24.9-179.3-590000113.7H221 D222 R223H221-S225 PolarHBondContact O-N 2.96Å; H221-S225 PolarHBondContact O-OG 3.12Å; D222-S225 WeakPolarHBondContact O-CB 3.43Å; D222-S225 PolarHBondContact O-N 2.97Å; R223-S225 PolarHBondContact O-N 3.04Å
226Q62Low76.7Confident88 Ų8852.5 Ų52.541%0.41128%0.283SS..Hα-helixtrans-99.1-6.2-175.2-69.8178.226.300113.7D222 R223 D228D222-Q226 PolarHBondContact O-N 3.33Å; D222-Q226 PolarHBondContact OD1-NE2 2.91Å; D222-Q226 PolarHBondContact OD2-NE2 3.02Å; D222-Q226 VanDerWaalsContact OD2-NE2 3.13Å; R223-Q226 PolarHBondContact O-N 3.43Å; Q226-D228 HydrophobicContact CB-CB 4.38Å; Q226-D228 PolarHBondContact O-N 2.72Å
227C63.8Low77.4Confident107 Ų10748.2 Ų48.272%0.72327%0.266SS*.THydrogen-bonded Turntrans5122.6-175.1-69.30000114.1R223R223-C227 PolarHBondContact O-N 3.04Å
228D72.2Confident77.8Confident37 Ų3746 Ų4620%0.19825%0.253CS..  trans-94.6151.3-178.7-81.9-33.8000110.5K147 Q226 F230K147-D228 VanDerWaalsContact CE-CG 3.48Å; K147-D228 VanDerWaalsContact CE-OD1 3.25Å; K147-D228 WeakPolarHBondContact CE-OD1 3.44Å; K147-D228 WeakPolarHBondContact CE-OD2 3.45Å; K147-D228 IonicContact NZ-OD1 2.67Å; K147-D228 PolarHBondContact NZ-OD1 3.18Å; K147-D228 IonicContact NZ-OD2 2.85Å; K147-D228 PolarHBondContact NZ-OD2 3.34Å; Q226-D228 HydrophobicContact CB-CB 4.38Å; Q226-D228 PolarHBondContact O-N 2.72Å; D228-F230 HydrophobicContact CB-CE2 3.64Å; D228-F230 HydrophobicContact CB-CZ 3.97Å
229Q82.5Confident78.1Confident5 Ų553.2 Ų53.22%0.02328%0.277CS..EExtended strand (participates in β ladder)trans-95.9144.7175-71.6-169.5-38.300111.9E28 H30 F31 K147 V148E28-Q229 WeakPolarHBondContact O-CA 3.41Å; H30-Q229 VanDerWaalsContact O-CG 3.22Å; H30-Q229 WeakPolarHBondContact O-CG 2.96Å; H30-Q229 PolarHBondContact O-NE2 3.27Å; F31-Q229 VanDerWaalsContact CA-NE2 3.25Å; F31-Q229 VanDerWaalsContact CD2-NE2 3.27Å; K147-Q229 WeakPolarHBondContact CA-O 3.47Å; V148-Q229 HydrophobicContact CB-CB 3.85Å; V148-Q229 HydrophobicContact CG2-CB 4.43Å; V148-Q229 PolarHBondContact N-O 2.9Å
230F86.4Confident78.5Confident34 Ų3454.1 Ų54.115%0.14928%0.281CS..EExtended strand (participates in β ladder)trans-132.6131.4-179.1-65.5-89.1000112.1E28 L146 K147 R223 D228E28-F230 PolarHBondContact N-O 3.44Å; E28-F230 PolarHBondContact O-N 3.3Å; L146-F230 CarbonylContact O-C 3.53Å; L146-F230 VanDerWaalsContact O-CA 3.25Å; L146-F230 WeakPolarHBondContact O-CA 3.46Å; K147-F230 HydrophobicContact CB-CD1 4.36Å; K147-F230 HydrophobicContact CB-CE1 4Å; R223-F230 HydrophobicContact CB-CE2 4.46Å; R223-F230 HydrophobicContact CG-CD2 3.78Å; R223-F230 HydrophobicContact CG-CE2 3.83Å; D228-F230 HydrophobicContact CB-CE2 3.64Å; D228-F230 HydrophobicContact CB-CZ 3.97Å
231L90.1Very high78.9Confident0 Ų055.1 Ų55.10%030%0.296CS..EExtended strand (participates in β ladder)trans-102.4116.9172.1-178.767.8000109.4V24 L27 L62 F111 T128 L146 V148 I233V24-L231 HydrophobicContact CG1-CD1 4.16Å; L27-L231 HydrophobicContact CB-CD1 4.23Å; L27-L231 HydrophobicContact CD1-CB 4.31Å; L27-L231 HydrophobicContact CD1-CD1 4.36Å; L62-L231 HydrophobicContact CD1-CD1 3.78Å; L62-L231 HydrophobicContact CD1-CD2 4.48Å; L62-L231 HydrophobicContact CD2-CD1 4.4Å; L62-L231 HydrophobicContact CD2-CD2 4.21Å; F111-L231 HydrophobicContact CB-CD2 3.92Å; F111-L231 HydrophobicContact CD1-CD2 4.08Å; F111-L231 HydrophobicContact CD2-CD2 4.28Å; F111-L231 HydrophobicContact CG-CD2 3.84Å; T128-L231 HydrophobicContact CG2-CD2 4.12Å; L146-L231 PolarHBondContact N-O 3.39Å; L146-L231 PolarHBondContact O-N 3.09Å; V148-L231 HydrophobicContact CG2-CB 3.85Å; L231-I233 HydrophobicContact CD2-CG2 4.06Å; L231-I233 HydrophobicContact CG-CG2 4Å
232L89.8Confident79Confident37 Ų3757.9 Ų57.919%0.19431%0.314CS..EExtended strand (participates in β ladder)trans-81.2122.7173.717768.5000109.5G25 S26 M143 D145G25-L232 WeakPolarHBondContact CA-O 3.5Å; G25-L232 PolarHBondContact N-O 3.21Å; S26-L232 PolarHBondContact O-N 2.93Å; M143-L232 HydrophobicContact CB-CD1 4.11Å; M143-L232 HydrophobicContact CG-CD1 4.41Å; D145-L232 WeakPolarHBondContact OD1-CD1 3.34Å
233I93.3Very high79.4Confident0 Ų059.3 Ų59.30%032%0.324CS..EExtended strand (participates in β ladder)trans-125.3154173.865.6160.8000111.2V22 K23 F111 I130 M143 Y144 L146 L231 F235V22-I233 HydrophobicContact CG2-CB 4.3Å; V22-I233 HydrophobicContact CG2-CD1 4.33Å; K23-I233 CarbonylContact O-C 3.56Å; K23-I233 VanDerWaalsContact O-CA 3.27Å; K23-I233 WeakPolarHBondContact O-CA 3.37Å; F111-I233 HydrophobicContact CE1-CG2 4.39Å; F111-I233 HydrophobicContact CE2-CD1 4.05Å; F111-I233 HydrophobicContact CE2-CG2 4.1Å; F111-I233 HydrophobicContact CZ-CD1 4.34Å; F111-I233 HydrophobicContact CZ-CG2 3.87Å; I130-I233 HydrophobicContact CG2-CD1 4.08Å; M143-I233 CarbonylContact C-O 3.08Å; M143-I233 VanDerWaalsContact CA-O 3.24Å; M143-I233 WeakPolarHBondContact CA-O 3.32Å; Y144-I233 PolarHBondContact N-O 2.78Å; Y144-I233 PolarHBondContact O-N 3.47Å; L146-I233 HydrophobicContact CD1-CD1 3.6Å; L146-I233 HydrophobicContact CD1-CG1 3.95Å; L146-I233 HydrophobicContact CD1-CG2 4.34Å; L146-I233 HydrophobicContact CD2-CD1 4.48Å; L146-I233 HydrophobicContact CG-CD1 4.18Å; L146-I233 HydrophobicContact CG-CG1 4.08Å; L231-I233 HydrophobicContact CD2-CG2 4.06Å; L231-I233 HydrophobicContact CG-CG2 4Å; I233-F235 HydrophobicContact CD1-CD2 4.37Å; I233-F235 HydrophobicContact CD1-CE2 3.58Å; I233-F235 HydrophobicContact CD1-CZ 3.74Å; I233-F235 HydrophobicContact CG1-CE2 4.45Å
234E92.4Very high80.2Confident47 Ų4759.9 Ų59.922%0.2233%0.331CS..EExtended strand (participates in β ladder)trans-127.5123.4176.2172.1-171.1177.700110.7K23 W93 R142 M143K23-E234 HydrophobicContact CB-CB 4.05Å; K23-E234 HydrophobicContact CD-CB 4.4Å; K23-E234 VanDerWaalsContact CD-OE2 3.23Å; K23-E234 WeakPolarHBondContact CD-OE2 3.44Å; K23-E234 PolarHBondContact N-O 3.07Å; K23-E234 IonicContact NZ-OE2 3.25Å; K23-E234 PolarHBondContact NZ-OE2 3.12Å; K23-E234 PolarHBondContact O-N 3.11Å; W93-E234 HydrophobicContact CH2-CG 4.45Å; R142-E234 WeakPolarHBondContact O-CA 3.44Å; M143-E234 HydrophobicContact CG-CB 4.01Å; M143-E234 HydrophobicContact CG-CG 4.25Å
235F92.6Very high81.1Confident4 Ų454.3 Ų54.32%0.01830%0.301CS..EExtended strand (participates in β ladder)trans-88.7146.1172.3-71.4-77.1000111.5V22 L109 I130 L132 R140 R142 Y144 I233V22-F235 HydrophobicContact CG2-CD1 4.42Å; V22-F235 HydrophobicContact CG2-CE1 4.31Å; L109-F235 HydrophobicContact CD2-CE1 4.21Å; L109-F235 HydrophobicContact CD2-CZ 4.39Å; I130-F235 HydrophobicContact CD1-CE2 4.28Å; I130-F235 HydrophobicContact CG2-CZ 4.12Å; L132-F235 HydrophobicContact CD2-CD1 4.45Å; L132-F235 HydrophobicContact CD2-CE1 3.56Å; L132-F235 HydrophobicContact CD2-CZ 4.26Å; R140-F235 HydrophobicContact CB-CD2 3.61Å; R140-F235 HydrophobicContact CB-CE2 3.8Å; R140-F235 HydrophobicContact CB-CG 3.99Å; R140-F235 HydrophobicContact CB-CZ 4.35Å; R140-F235 WeakPolarHBondContact O-CB 3.36Å; R142-F235 PolarHBondContact N-O 3Å; R142-F235 PolarHBondContact O-N 3Å; Y144-F235 AromaticContact CD2-CD2 3.6Å; Y144-F235 HydrophobicContact CD2-CD2 3.6Å; Y144-F235 AromaticContact CD2-CE2 3.87Å; Y144-F235 HydrophobicContact CD2-CE2 3.87Å; Y144-F235 AromaticContact CE2-CD2 3.76Å; Y144-F235 HydrophobicContact CE2-CD2 3.76Å; Y144-F235 HydrophobicContact CE2-CE2 4.2Å; I233-F235 HydrophobicContact CD1-CD2 4.37Å; I233-F235 HydrophobicContact CD1-CE2 3.58Å; I233-F235 HydrophobicContact CD1-CZ 3.74Å; I233-F235 HydrophobicContact CG1-CE2 4.45Å
236P90.5Very high82.2Confident33 Ų3355.8 Ų55.821%0.21430%0.297CS..PPolyproline II helixtrans-65.3147.8-179.827.3-33.2000111.9K21 W93 Y100K21-P236 WeakPolarHBondContact O-CD 3.21Å; W93-P236 HydrophobicContact CH2-CB 4.21Å; W93-P236 HydrophobicContact CZ3-CB 4.29Å; Y100-P236 VanDerWaalsContact OH-CG 3.3Å; Y100-P236 WeakPolarHBondContact OH-CG 3.16Å
237V86.4Confident83.5Confident40 Ų4051.9 Ų51.924%0.24228%0.279CS..PPolyproline II helixtrans-98.8132.4174.7-1780000109Q141 R142 R239 D244Q141-V237 HydrophobicContact CB-CG2 4.37Å; R142-V237 HydrophobicContact CG-CG2 3.76Å; V237-R239 HydrophobicContact CG1-CG 4.48Å; V237-D244 HydrophobicContact CG1-CB 4.03Å; V237-D244 VanDerWaalsContact CG1-CG 3.49Å; V237-D244 WeakPolarHBondContact CG1-OD1 3.41Å
238V84.7Confident84.8Confident30 Ų3048.5 Ų48.518%0.18225%0.254CS..EExtended strand (participates in β ladder)trans-79.6126172.6-179.60000108I11 F240 G245 M247I11-V238 HydrophobicContact CG2-CG1 4.12Å; V238-F240 HydrophobicContact CG1-CD2 4.36Å; V238-F240 HydrophobicContact CG1-CE2 3.79Å; V238-F240 HydrophobicContact CG1-CZ 4.09Å; V238-G245 PolarHBondContact O-N 2.98Å; V238-M247 HydrophobicContact CG2-CB 4.14Å; V238-M247 HydrophobicContact CG2-CE 4.19Å
239R82.5Confident85.7Confident184 Ų18448.9 Ų48.969%0.69425%0.253SS*.EExtended strand (participates in β ladder)trans-116.6131.6178.2-70.1-173.4177.8162.63111.1V237 D244V237-R239 HydrophobicContact CG1-CG 4.48Å; R239-D244 IonicContact NE-OD1 3.98Å
240F77.8Confident85.8Confident63 Ų6352.9 Ų52.928%0.27627%0.271SS..EExtended strand (participates in β ladder)trans-109.383.6171.9-64.4-85.7000108.6R9 I11 V238 D242 V243R9-F240 HydrophobicContact CB-CD2 3.57Å; R9-F240 HydrophobicContact CB-CE2 3.69Å; R9-F240 HydrophobicContact CB-CG 4.16Å; R9-F240 HydrophobicContact CB-CZ 4.37Å; R9-F240 HydrophobicContact CG-CD2 4.47Å; R9-F240 PolarHBondContact NH1-O 3.36Å; I11-F240 HydrophobicContact CB-CZ 4.02Å; I11-F240 HydrophobicContact CG2-CZ 4.36Å; V238-F240 HydrophobicContact CG1-CD2 4.36Å; V238-F240 HydrophobicContact CG1-CE2 3.79Å; V238-F240 HydrophobicContact CG1-CZ 4.09Å; F240-D242 PolarHBondContact O-N 2.82Å; F240-V243 PolarHBondContact N-O 3.35Å; F240-V243 PolarHBondContact O-N 2.92Å
241G78.5Confident85.3Confident62 Ų6256.6 Ų56.664%0.63929%0.288SS*.THydrogen-bonded Turntrans67.7-125.3-165.600000110V243G241-V243 VanDerWaalsContact C-N 3.33Å
242D73.9Confident84Confident171 Ų17160.4 Ų60.491%0.91431%0.314SS*.THydrogen-bonded Turntrans-883.7179.6-59.8-40.2000114.2F240F240-D242 PolarHBondContact O-N 2.82Å
243V74.6Confident82.7Confident69 Ų6965.5 Ų65.542%0.41834%0.341SS..EExtended strand (participates in β ladder)trans-109.8126.5-176.3-174.40000110.8F240 G241F240-V243 PolarHBondContact N-O 3.35Å; F240-V243 PolarHBondContact O-N 2.92Å; G241-V243 VanDerWaalsContact C-N 3.33Å
244D80.5Confident80.8Confident58 Ų5867.2 Ų67.231%0.3136%0.358SS..EExtended strand (participates in β ladder)trans-66.1135171-72.6-6.8000110.3R142 V237 R239R142-D244 IonicContact CZ-OD2 3.63Å; R142-D244 IonicContact NH2-OD2 3.78Å; R142-D244 PolarHBondContact NH2-OD2 3.41Å; V237-D244 HydrophobicContact CG1-CB 4.03Å; V237-D244 VanDerWaalsContact CG1-CG 3.49Å; V237-D244 WeakPolarHBondContact CG1-OD1 3.41Å; R239-D244 IonicContact NE-OD1 3.98Å
245G83.2Confident78.7Confident0 Ų068.7 Ų68.70%039%0.386CS..EExtended strand (participates in β ladder)trans-132.3-178.1174.100000112.5R9 Q141 V238R9-G245 CarbonylContact O-C 3.59Å; R9-G245 VanDerWaalsContact O-CA 3.24Å; R9-G245 WeakPolarHBondContact O-CA 3.45Å; Q141-G245 PolarHBondContact NE2-O 3.37Å; V238-G245 PolarHBondContact O-N 2.98Å
246Y87.6Confident76.7Confident102 Ų10274 Ų7440%0.442%0.424SS..EExtended strand (participates in β ladder)trans-118.3140.5-169.6-63.1-83.7000112I8 R9 F10 I11 I138I8-Y246 HydrophobicContact CG2-CD2 3.71Å; I8-Y246 HydrophobicContact CG2-CE2 4.04Å; R9-Y246 PolarHBondContact O-N 3.34Å; F10-Y246 CarbonylContact C-O 3.52Å; F10-Y246 WeakPolarHBondContact CA-O 3.25Å; F10-Y246 WeakPolarHBondContact CB-O 3.31Å; I11-Y246 PolarHBondContact N-O 3.29Å; I138-Y246 HydrophobicContact CG2-CD1 3.74Å; I138-Y246 HydrophobicContact CG2-CG 4.26Å
247M90.9Very high74.6Confident7 Ų778.3 Ų78.33%0.03445%0.45CS..EExtended strand (participates in β ladder)trans-92.7126.3167.1-172.6-176-53.800108.8I11 V16 Y100 I138 L139 V238I11-M247 HydrophobicContact CG2-CB 4.15Å; I11-M247 HydrophobicContact CG2-CG 4.18Å; I11-M247 CarbonylContact O-C 3.49Å; I11-M247 WeakPolarHBondContact O-CA 3.43Å; V16-M247 HydrophobicContact CB-CE 4.25Å; V16-M247 HydrophobicContact CG1-CE 3.92Å; V16-M247 HydrophobicContact CG2-CE 3.97Å; V16-M247 HydrophobicContact CG2-SD 4.34Å; Y100-M247 HydrophobicContact CD1-CE 3.95Å; Y100-M247 HydrophobicContact CD1-SD 3.7Å; Y100-M247 HydrophobicContact CD2-CE 4.13Å; Y100-M247 HydrophobicContact CE1-CE 4.3Å; Y100-M247 HydrophobicContact CE1-SD 4.4Å; Y100-M247 HydrophobicContact CE2-CE 4.46Å; Y100-M247 HydrophobicContact CG-CE 3.88Å; Y100-M247 HydrophobicContact CG-SD 3.88Å; I138-M247 CarbonylContact C-O 3.46Å; I138-M247 WeakPolarHBondContact CA-O 3.31Å; L139-M247 HydrophobicContact CB-CB 3.87Å; L139-M247 HydrophobicContact CB-CG 4.47Å; L139-M247 HydrophobicContact CD2-CB 4.2Å; L139-M247 HydrophobicContact CD2-CE 3.9Å; L139-M247 HydrophobicContact CD2-SD 3.87Å; L139-M247 PolarHBondContact N-O 2.8Å; V238-M247 HydrophobicContact CG2-CB 4.14Å; V238-M247 HydrophobicContact CG2-CE 4.19Å
248V90.5Very high72.6Confident35 Ų3579.6 Ų79.621%0.21247%0.471CS..EExtended strand (participates in β ladder)trans-114130.1-177.8-179.70000108.8F10 I11 Y12 S13 I138 F250F10-V248 HydrophobicContact CB-CG2 3.79Å; F10-V248 HydrophobicContact CD2-CG2 4.29Å; F10-V248 HydrophobicContact CG-CG2 4.2Å; I11-V248 PolarHBondContact O-N 3.05Å; Y12-V248 CarbonylContact C-O 3.55Å; Y12-V248 WeakPolarHBondContact CA-O 3.43Å; S13-V248 PolarHBondContact N-O 3.04Å; I138-V248 HydrophobicContact CG1-CG2 4.41Å; V248-F250 PolarHBondContact O-N 2.96Å
249Y90.4Very high70.6Confident46 Ų4689.3 Ų89.318%0.1851%0.506CS..  trans-61.1125.5174.3-179.4-90.8000110.4S13 L103 R105 F133 G137 E251S13-Y249 WeakPolarHBondContact OG-CA 3.19Å; L103-Y249 WeakPolarHBondContact O-CE2 3.5Å; R105-Y249 HydrophobicContact CB-CD1 3.84Å; R105-Y249 HydrophobicContact CB-CD2 4.16Å; R105-Y249 HydrophobicContact CB-CE1 3.69Å; R105-Y249 HydrophobicContact CB-CE2 3.99Å; R105-Y249 HydrophobicContact CB-CG 4.07Å; R105-Y249 HydrophobicContact CG-CD1 4.01Å; R105-Y249 HydrophobicContact CG-CE1 4.31Å; R105-Y249 HydrophobicContact CG-CG 4.23Å; F133-Y249 HydrophobicContact CE2-CD2 4.07Å; F133-Y249 HydrophobicContact CZ-CD2 4.09Å; G137-Y249 PolarHBondContact O-N 3.04Å; Y249-E251 HydrophobicContact CE1-CB 4.22Å; Y249-E251 PolarHBondContact OH-OE2 3.11Å
250F85.5Confident68.7Low89 Ų8989.3 Ų89.339%0.3951%0.511SS..  trans-149.5140.1173.5179.5-104.4000109.8Y12 S13 C14 V248 P252Y12-F250 HydrophobicContact CD1-CB 3.23Å; Y12-F250 HydrophobicContact CD1-CD1 4.13Å; Y12-F250 HydrophobicContact CD1-CD2 4.38Å; Y12-F250 AromaticContact CD1-CG 3.69Å; Y12-F250 HydrophobicContact CD1-CG 3.69Å; Y12-F250 HydrophobicContact CD2-CD1 4.18Å; Y12-F250 HydrophobicContact CE1-CB 3.87Å; Y12-F250 HydrophobicContact CE1-CD1 4.5Å; Y12-F250 HydrophobicContact CE1-CD2 4.21Å; Y12-F250 AromaticContact CE1-CG 3.95Å; Y12-F250 HydrophobicContact CE1-CG 3.95Å; Y12-F250 HydrophobicContact CG-CB 3.71Å; Y12-F250 AromaticContact CG-CD1 3.94Å; Y12-F250 HydrophobicContact CG-CD1 3.94Å; Y12-F250 AromaticContact CG-CG 3.98Å; Y12-F250 HydrophobicContact CG-CG 3.98Å; S13-F250 PolarHBondContact OG-N 3.14Å; S13-F250 VanDerWaalsContact OG-N 3.12Å; S13-F250 PolarHBondContact OG-O 3.29Å; C14-F250 WeakPolarHBondContact CB-O 3.25Å; V248-F250 PolarHBondContact O-N 2.96Å; F250-P252 HydrophobicContact CD1-CG 4.43Å; F250-P252 HydrophobicContact CE1-CB 4.31Å; F250-P252 HydrophobicContact CE1-CG 4.24Å
251E76.1Confident67.1Low111 Ų11191.6 Ų91.652%0.51953%0.526SS..  trans-125.7108.5-177.1-166.9168.7-174.900107.2Y249 N253 G254Y249-E251 HydrophobicContact CE1-CB 4.22Å; Y249-E251 PolarHBondContact OH-OE2 3.11Å; E251-N253 PolarHBondContact O-N 3.3Å; E251-G254 PolarHBondContact O-N 3.05Å; E251-G254 VanDerWaalsContact O-N 3.08Å
252P62.6Low65.7Low81 Ų8192.6 Ų92.653%0.52652%0.521SS..THydrogen-bonded Turntrans-57.4-16.8-167.5-2733.2000115.6C14 F250C14-P252 HydrophobicContact CB-CG 3.93Å; F250-P252 HydrophobicContact CD1-CG 4.43Å; F250-P252 HydrophobicContact CE1-CB 4.31Å; F250-P252 HydrophobicContact CE1-CG 4.24Å
253N61.9Low64.6Low143 Ų14392.8 Ų92.877%0.76551%0.511SS*.THydrogen-bonded Turntrans-12815.2-177.5-60.7-28.6000113.4E251 G255E251-N253 PolarHBondContact O-N 3.3Å; N253-G255 PolarHBondContact O-N 3.03Å
254G54.6Low63.1Low36 Ų3695.7 Ų95.737%0.37153%0.531SS..G310 helixtrans-72.38.2-179.900000115.3E251 S256E251-G254 PolarHBondContact O-N 3.05Å; E251-G254 VanDerWaalsContact O-N 3.08Å; G254-S256 PolarHBondContact O-N 3.32Å; G254-S256 VanDerWaalsContact O-N 3.16Å
255G48Very low61.8Low78 Ų7896.4 Ų96.480%0.80455%0.545SS*.G310 helixtrans-70.2-0.8-176.300000115.7N253N253-G255 PolarHBondContact O-N 3.03Å
256S50.5Low60.5Low115 Ų115105.1 Ų105.180%0.80459%0.59SS**G310 helixtrans-90.94.9179-34.50000114.3G254 G258G254-S256 PolarHBondContact O-N 3.32Å; G254-S256 VanDerWaalsContact O-N 3.16Å; S256-G258 PolarHBondContact O-N 3.45Å
257V45Very low58.9Low125 Ų125102.3 Ų102.376%0.75859%0.591SS**SBendtrans-88.992.7170.8-170.20000107.8Y259V257-Y259 PolarHBondContact O-N 2.89Å
258G44.9Very low56.9Low67 Ų67114.4 Ų114.469%0.69164%0.637SS**  trans-47.5124.7-177.200000112.4S256 F260S256-G258 PolarHBondContact O-N 3.45Å; G258-F260 PolarHBondContact O-N 3.21Å
259Y43.1Very low55.1Low233 Ų233121.6 Ų121.691%0.91466%0.661SS**  trans-59.1107.9159.4-72.7-86.6000106.9V257 N261V257-Y259 PolarHBondContact O-N 2.89Å; Y259-N261 PolarHBondContact O-N 3.21Å
260F42.6Very low53.2Low185 Ų185125 Ų12581%0.81169%0.689SS**  trans-60.4101.6167.7-179.2-98.1000107.6G258 P262G258-F260 PolarHBondContact O-N 3.21Å; F260-P262 HydrophobicContact CD1-CB 4.38Å; F260-P262 HydrophobicContact CE1-CB 3.87Å; F260-P262 WeakPolarHBondContact O-CD 3.41Å
261N45.2Very low51.9Low110 Ų110124.7 Ų124.759%0.58869%0.692SS**  trans-85.3112.8168.4-175.22.5000107.4Y259 Y263Y259-N261 PolarHBondContact O-N 3.21Å; N261-Y263 PolarHBondContact O-N 3.12Å; N261-Y263 PolarHBondContact OD1-N 2.71Å
262P48.6Very low51.1Low83 Ų83124.8 Ų124.854%0.53970%0.702SS.*SBendtrans-72.56.7-178.128.2-32.5000114.1F260F260-P262 HydrophobicContact CD1-CB 4.38Å; F260-P262 HydrophobicContact CE1-CB 3.87Å; F260-P262 WeakPolarHBondContact O-CD 3.41Å
263Y49.3Very low50.8Low176 Ų176127.6 Ų127.669%0.6971%0.708SS**SBendtrans-119.8114.9179.8-61.3-75.4000111.3N261 A265N261-Y263 PolarHBondContact O-N 3.12Å; N261-Y263 PolarHBondContact OD1-N 2.71Å; Y263-A265 PolarHBondContact O-N 3.25Å
264P44.8Very low50.6Low129 Ų129127.9 Ų127.984%0.83871%0.708SS**  trans-81.798.7177.732.1-28.9000108.9
265A53Low50.6Low74 Ų74130.2 Ų130.261%0.61273%0.733SS**  trans-91.5117163.500000108.3Y263 G267Y263-A265 PolarHBondContact O-N 3.25Å; A265-G267 PolarHBondContact O-N 3.42Å
266I55.3Low51.2Low183 Ų183133 Ų13394%0.93873%0.726SS**  trans-67.7101.7172.6-61.8171.5000107.4
267G53.9Low51.8Low42 Ų42134.5 Ų134.543%0.43372%0.721SS.*  trans-129.8141.9172.700000110.1A265 Y269A265-G267 PolarHBondContact O-N 3.42Å; G267-Y269 WeakPolarHBondContact O-CD2 3.45Å; G267-Y269 PolarHBondContact O-N 3.35Å
268R49.9Very low53.1Low261 Ų261132.2 Ų132.299%0.98570%0.704SS**  trans-73.3103.7166.6-76.2-176.8-178.8178.40107.6
269Y51.7Low54.5Low186 Ų186135.5 Ų135.573%0.72971%0.705SS**  trans-91.7129.2171.1-68.9-86.4000108.6G267 D271G267-Y269 WeakPolarHBondContact O-CD2 3.45Å; G267-Y269 PolarHBondContact O-N 3.35Å; Y269-D271 PolarHBondContact O-N 3.31Å
270P51.5Low56Low118 Ų118129.8 Ų129.877%0.76669%0.694SS**  trans-63.6119.2167.426.3-29.2000107.1P272P270-P272 VanDerWaalsContact O-CD 3.23Å; P270-P272 WeakPolarHBondContact O-CD 3.03Å
271D57.6Low57.3Low83 Ų83125.8 Ų125.844%0.44468%0.678SS.*  trans-63.4112.9174.1177.70.3000108Y269 E273 L274Y269-D271 PolarHBondContact O-N 3.31Å; D271-E273 PolarHBondContact O-N 2.97Å; D271-E273 WeakPolarHBondContact OD1-CA 3.39Å; D271-E273 VanDerWaalsContact OD1-CB 3.32Å; D271-E273 WeakPolarHBondContact OD1-CB 3.48Å; D271-E273 PolarHBondContact OD1-N 3.32Å; D271-L274 HydrophobicContact CB-CB 4.1Å; D271-L274 HydrophobicContact CB-CD1 4.21Å; D271-L274 VanDerWaalsContact O-CB 3.28Å; D271-L274 WeakPolarHBondContact O-CB 3.22Å; D271-L274 PolarHBondContact O-N 2.97Å; D271-L274 VanDerWaalsContact O-N 3.07Å
272P58.8Low58.6Low113 Ų113121.4 Ų121.473%0.73466%0.657SS**THydrogen-bonded Turntrans-67.7-14.2-179.730-34.3000112.3P270P270-P272 VanDerWaalsContact O-CD 3.23Å; P270-P272 WeakPolarHBondContact O-CD 3.03Å
273E57.3Low59.9Low140 Ų140124.1 Ų124.165%0.65466%0.66SS**THydrogen-bonded Turntrans-87.3-9.9174.6-54.6-171.716500112.3D271 G275 M276D271-E273 PolarHBondContact O-N 2.97Å; D271-E273 WeakPolarHBondContact OD1-CA 3.39Å; D271-E273 VanDerWaalsContact OD1-CB 3.32Å; D271-E273 WeakPolarHBondContact OD1-CB 3.48Å; D271-E273 PolarHBondContact OD1-N 3.32Å; E273-G275 PolarHBondContact O-N 3.4Å; E273-M276 PolarHBondContact O-N 3.42Å
274L56.5Low61.2Low148 Ų148121.2 Ų121.278%0.77565%0.653SS**THydrogen-bonded Turntrans-66.4103.9178.6-143.892.5000110D271D271-L274 HydrophobicContact CB-CB 4.1Å; D271-L274 HydrophobicContact CB-CD1 4.21Å; D271-L274 VanDerWaalsContact O-CB 3.28Å; D271-L274 WeakPolarHBondContact O-CB 3.22Å; D271-L274 PolarHBondContact O-N 2.97Å; D271-L274 VanDerWaalsContact O-N 3.07Å
275G56.2Low62.5Low85 Ų85116.3 Ų116.388%0.87662%0.619SS**THydrogen-bonded Turntrans100-3.1-175.400000114.5E273E273-G275 PolarHBondContact O-N 3.4Å
276M58.7Low63.6Low137 Ų137118.5 Ų118.568%0.67562%0.619SS**SBendtrans-78.1150.2165.1-74.9-160.340.200111E273 N278E273-M276 PolarHBondContact O-N 3.42Å; M276-N278 PolarHBondContact O-N 2.91Å
277E63.9Low64.5Low147 Ų147115.3 Ų115.369%0.68760%0.603SS**  trans-65.1124.6178.9-171.6177.6-16800110.5L279 A282E277-L279 PolarHBondContact O-N 3.42Å; E277-A282 HydrophobicContact CG-CB 4.29Å
278N72.6Confident65.3Low77 Ų77115.7 Ų115.741%0.41260%0.602SS.*  trans-71.6103.2176.1179.4-13.2000109.5M276 V280 E281 A282M276-N278 PolarHBondContact O-N 2.91Å; N278-V280 PolarHBondContact O-N 3.11Å; N278-V280 WeakPolarHBondContact OD1-CB 3.38Å; N278-V280 PolarHBondContact OD1-N 3.5Å; N278-V280 VanDerWaalsContact OD1-N 3.07Å; N278-E281 HydrophobicContact CB-CB 4.02Å; N278-E281 HydrophobicContact CB-CG 4.36Å; N278-E281 WeakPolarHBondContact CB-OE2 3.41Å; N278-E281 WeakPolarHBondContact ND2-CG 3.44Å; N278-E281 PolarHBondContact ND2-OE2 2.89Å; N278-E281 PolarHBondContact O-N 3.45Å; N278-E281 VanDerWaalsContact O-N 3.13Å; N278-E281 PolarHBondContact OD1-N 2.72Å; N278-A282 WeakPolarHBondContact O-CB 3.19Å; N278-A282 PolarHBondContact O-N 3.26Å
279L73.8Confident66.5Low135 Ų135104 Ų10471%0.70756%0.558SS**Hα-helixtrans-60.4-28.7-176.6-61.6178.3000113.4E277 K283E277-L279 PolarHBondContact O-N 3.42Å; L279-K283 WeakPolarHBondContact O-CB 3.23Å; L279-K283 PolarHBondContact O-N 3Å
280V74.1Confident67.3Low114 Ų11498 Ų9869%0.69154%0.543SS*.Hα-helixtrans-71.7-45.2177.1179.40000110N278 K283 H284N278-V280 PolarHBondContact O-N 3.11Å; N278-V280 WeakPolarHBondContact OD1-CB 3.38Å; N278-V280 PolarHBondContact OD1-N 3.5Å; N278-V280 VanDerWaalsContact OD1-N 3.07Å; V280-K283 PolarHBondContact O-N 2.81Å; V280-H284 WeakPolarHBondContact O-CB 3.48Å; V280-H284 PolarHBondContact O-N 3.16Å
281E69.6Low67.7Low100 Ų10095.1 Ų95.147%0.46753%0.525SS..Hα-helixtrans-64.1-44.4173.2-82179.7147.600111.4N278 K283 H284 H285N278-E281 HydrophobicContact CB-CB 4.02Å; N278-E281 HydrophobicContact CB-CG 4.36Å; N278-E281 WeakPolarHBondContact CB-OE2 3.41Å; N278-E281 WeakPolarHBondContact ND2-CG 3.44Å; N278-E281 PolarHBondContact ND2-OE2 2.89Å; N278-E281 PolarHBondContact O-N 3.45Å; N278-E281 VanDerWaalsContact O-N 3.13Å; N278-E281 PolarHBondContact OD1-N 2.72Å; E281-K283 VanDerWaalsContact C-N 3.31Å; E281-K283 PolarHBondContact O-N 2.57Å; E281-H284 WeakPolarHBondContact O-CB 3.27Å; E281-H284 PolarHBondContact O-N 2.86Å; E281-H284 VanDerWaalsContact O-N 3.13Å; E281-H285 WeakPolarHBondContact O-CB 3.25Å; E281-H285 PolarHBondContact O-CD2 2.71Å; E281-H285 PolarHBondContact O-N 3.07Å
282A72.9Confident67.8Low18 Ų18102.6 Ų102.615%0.14955%0.547CS..Hα-helixtrans-58.8-44.3176.700000111.2E277 N278 H285 I286E277-A282 HydrophobicContact CG-CB 4.29Å; N278-A282 WeakPolarHBondContact O-CB 3.19Å; N278-A282 PolarHBondContact O-N 3.26Å; A282-H285 WeakPolarHBondContact O-CB 3.1Å; A282-H285 PolarHBondContact O-N 3.02Å; A282-I286 WeakPolarHBondContact O-CD1 3.23Å; A282-I286 WeakPolarHBondContact O-CG1 3.15Å; A282-I286 PolarHBondContact O-N 3.43Å
283K76.3Confident67.9Low140 Ų14099.7 Ų99.761%0.60953%0.53SS*.Hα-helixtrans-64.6-42.4174.4-176.5178.7176.5-1780112.1L279 V280 E281 I286 L287L279-K283 WeakPolarHBondContact O-CB 3.23Å; L279-K283 PolarHBondContact O-N 3Å; V280-K283 PolarHBondContact O-N 2.81Å; E281-K283 VanDerWaalsContact C-N 3.31Å; E281-K283 PolarHBondContact O-N 2.57Å; K283-I286 PolarHBondContact O-N 2.99Å; K283-L287 HydrophobicContact CG-CD1 4.03Å; K283-L287 WeakPolarHBondContact O-CB 3.43Å; K283-L287 VanDerWaalsContact O-CG 3.3Å; K283-L287 WeakPolarHBondContact O-CG 3.39Å; K283-L287 PolarHBondContact O-N 3.06Å
284H76.7Confident68Low116 Ų11696.6 Ų96.654%0.53752%0.517SS..Hα-helixtrans-60.1-47.6175.9178.7-85.6000110.9V280 E281 I286 L287 A288 D328V280-H284 WeakPolarHBondContact O-CB 3.48Å; V280-H284 PolarHBondContact O-N 3.16Å; E281-H284 WeakPolarHBondContact O-CB 3.27Å; E281-H284 PolarHBondContact O-N 2.86Å; E281-H284 VanDerWaalsContact O-N 3.13Å; H284-I286 PolarHBondContact O-N 2.81Å; H284-L287 PolarHBondContact O-N 3.34Å; H284-A288 VanDerWaalsContact O-CB 3.27Å; H284-A288 WeakPolarHBondContact O-CB 3.27Å; H284-A288 PolarHBondContact O-N 3.43Å; H284-D328 IonicContact CE1-OD2 3.8Å; H284-D328 IonicContact ND1-OD2 2.7Å; H284-D328 PolarHBondContact ND1-OD2 3.36Å
285H72.9Confident68.2Low26 Ų2697 Ų9712%0.1252%0.518CS..Hα-helixtrans-55.4-50.8175-85.8-60.2000111.9E281 A282 L287 A288 R289 G324 D328E281-H285 WeakPolarHBondContact O-CB 3.25Å; E281-H285 PolarHBondContact O-CD2 2.71Å; E281-H285 PolarHBondContact O-N 3.07Å; A282-H285 WeakPolarHBondContact O-CB 3.1Å; A282-H285 PolarHBondContact O-N 3.02Å; H285-L287 VanDerWaalsContact C-N 3.29Å; H285-L287 PolarHBondContact O-N 2.96Å; H285-A288 PolarHBondContact O-N 2.81Å; H285-R289 WeakPolarHBondContact O-CB 3.39Å; H285-R289 VanDerWaalsContact O-CG 3.23Å; H285-R289 WeakPolarHBondContact O-CG 3.42Å; H285-R289 PolarHBondContact O-N 3.47Å; H285-G324 VanDerWaalsContact CE1-CA 3.47Å; H285-G324 WeakPolarHBondContact CE1-CA 3.31Å; H285-G324 PolarHBondContact CE1-O 3.5Å; H285-G324 VanDerWaalsContact NE2-CA 3.32Å; H285-G324 WeakPolarHBondContact NE2-CA 3.43Å; H285-D328 IonicContact CE1-OD1 3.73Å; H285-D328 PolarHBondContact CE1-OD1 3.45Å; H285-D328 IonicContact CE1-OD2 2.63Å; H285-D328 PolarHBondContact CE1-OD2 2.84Å; H285-D328 VanDerWaalsContact CE1-OD2 3.31Å; H285-D328 IonicContact CG-OD1 3.82Å; H285-D328 IonicContact CG-OD2 3.25Å; H285-D328 IonicContact ND1-OD1 3.49Å; H285-D328 PolarHBondContact ND1-OD1 3.26Å; H285-D328 IonicContact ND1-OD2 3.8Å; H285-D328 PolarHBondContact ND1-OD2 3.34Å
286I75.6Confident68.5Low120 Ų12096 Ų9662%0.61550%0.502SS*.Hα-helixtrans-59.6-41.4178.8-69.2164.2000111.1A282 K283 H284 C290A282-I286 WeakPolarHBondContact O-CD1 3.23Å; A282-I286 WeakPolarHBondContact O-CG1 3.15Å; A282-I286 PolarHBondContact O-N 3.43Å; K283-I286 PolarHBondContact O-N 2.99Å; H284-I286 PolarHBondContact O-N 2.81Å; I286-C290 PolarHBondContact O-N 2.78Å; I286-C290 VanDerWaalsContact O-N 3.12Å
287L73.2Confident69Low115 Ų11590.3 Ų90.360%0.60247%0.474SS*.Hα-helixtrans-71.6-43.6179.8-71.9172.1000112.3K283 H284 H285 R289 C290K283-L287 HydrophobicContact CG-CD1 4.03Å; K283-L287 WeakPolarHBondContact O-CB 3.43Å; K283-L287 VanDerWaalsContact O-CG 3.3Å; K283-L287 WeakPolarHBondContact O-CG 3.39Å; K283-L287 PolarHBondContact O-N 3.06Å; H284-L287 PolarHBondContact O-N 3.34Å; H285-L287 VanDerWaalsContact C-N 3.29Å; H285-L287 PolarHBondContact O-N 2.96Å; L287-R289 PolarHBondContact O-N 2.88Å; L287-C290 WeakPolarHBondContact O-CB 3.35Å; L287-C290 PolarHBondContact O-N 3.45Å
288A70.7Confident69.5Low50 Ų5091 Ų9141%0.41347%0.47SS..Hα-helixtrans-63.7-28.6179.200000112.3H284 H285H284-A288 VanDerWaalsContact O-CB 3.27Å; H284-A288 WeakPolarHBondContact O-CB 3.27Å; H284-A288 PolarHBondContact O-N 3.43Å; H285-A288 PolarHBondContact O-N 2.81Å
289R75.2Confident69.6Low17 Ų1795.6 Ų95.66%0.06449%0.49CS..THydrogen-bonded Turntrans-104.64-177-58.3-175.9-176.8-162.32.5114.4H285 L287 S291 D328 W331 C350 H352 E358H285-R289 WeakPolarHBondContact O-CB 3.39Å; H285-R289 VanDerWaalsContact O-CG 3.23Å; H285-R289 WeakPolarHBondContact O-CG 3.42Å; H285-R289 PolarHBondContact O-N 3.47Å; L287-R289 PolarHBondContact O-N 2.88Å; R289-S291 PolarHBondContact O-N 2.96Å; R289-D328 IonicContact CZ-OD1 2.97Å; R289-D328 IonicContact NE-OD1 3.77Å; R289-D328 PolarHBondContact NE-OD1 2.67Å; R289-D328 IonicContact NH2-OD1 3.31Å; R289-D328 PolarHBondContact NH2-OD1 3.49Å; R289-W331 HydrophobicContact CG-CG 4.22Å; R289-C350 PolarHBondContact NH1-O 2.98Å; R289-C350 PolarHBondContact NH2-O 3.09Å; R289-H352 PolarHBondContact NH1-CE1 2.88Å; R289-H352 PolarHBondContact NH1-ND1 3.35Å; R289-E358 WeakPolarHBondContact CD-OE1 3.45Å; R289-E358 IonicContact NH1-OE1 2.84Å; R289-E358 IonicContact NH1-OE2 3.35Å; R289-E358 PolarHBondContact NH1-OE2 3.31Å
290C68.9Low70Confident59 Ų5991.6 Ų91.640%0.39947%0.468SS..  trans-58.3130.9-175.3-164.90000111I286 L287 R292 S293I286-C290 PolarHBondContact O-N 2.78Å; I286-C290 VanDerWaalsContact O-N 3.12Å; L287-C290 WeakPolarHBondContact O-CB 3.35Å; L287-C290 PolarHBondContact O-N 3.45Å; C290-R292 PolarHBondContact O-N 3.46Å; C290-S293 PolarHBondContact O-N 3.37Å
291S59.3Low70.5Confident57 Ų5794.4 Ų94.440%0.39947%0.471SS..G310 helixtrans-55-14.3-173.4-42.60000114.8R289 S293 L294R289-S291 PolarHBondContact O-N 2.96Å; S291-S293 PolarHBondContact O-N 3.49Å; S291-L294 WeakPolarHBondContact O-CB 3.49Å; S291-L294 WeakPolarHBondContact O-CD1 3.09Å; S291-L294 WeakPolarHBondContact O-CG 3.12Å; S291-L294 PolarHBondContact O-N 3.29Å
292R60.9Low71.4Confident241 Ų24190.7 Ų90.791%0.90946%0.456SS*.G310 helixtrans-64.9-18.9173.6-70.9-176.2172.4-169-2.2113.7C290 L294C290-R292 PolarHBondContact O-N 3.46Å; R292-L294 VanDerWaalsContact C-N 3.35Å
293S60.7Low72.3Confident52 Ų5294.3 Ų94.336%0.36447%0.473SS..G310 helixtrans-82.2-3.2175.9-75.40000115.1C290 S291 I295 A296 D297C290-S293 PolarHBondContact O-N 3.37Å; S291-S293 PolarHBondContact O-N 3.49Å; S293-I295 VanDerWaalsContact C-N 3.28Å; S293-I295 PolarHBondContact O-N 3.43Å; S293-A296 PolarHBondContact O-N 3.02Å; S293-A296 VanDerWaalsContact O-N 3.1Å; S293-D297 PolarHBondContact O-N 2.88Å
294L58.6Low73Confident75 Ų7590.6 Ų90.639%0.39347%0.468SS..Hα-helixtrans-53.6-34.8-168.6-80.4166.4000115.8S291 R292S291-L294 WeakPolarHBondContact O-CB 3.49Å; S291-L294 WeakPolarHBondContact O-CD1 3.09Å; S291-L294 WeakPolarHBondContact O-CG 3.12Å; S291-L294 PolarHBondContact O-N 3.29Å; R292-L294 VanDerWaalsContact C-N 3.35Å
295I61.3Low73.7Confident155 Ų15589 Ų8980%0.79547%0.47SS*.Hα-helixtrans-78.9-39.3-177.5-58.6174.1000110.9S293 D297S293-I295 VanDerWaalsContact C-N 3.28Å; S293-I295 PolarHBondContact O-N 3.43Å; I295-D297 VanDerWaalsContact C-N 3.35Å; I295-D297 PolarHBondContact O-N 3Å
296A62.5Low74.6Confident64 Ų6489 Ų8953%0.52947%0.472SS..Hα-helixtrans-67-38.3-178.400000111.5S293 R298 E299 I300S293-A296 PolarHBondContact O-N 3.02Å; S293-A296 VanDerWaalsContact O-N 3.1Å; A296-R298 VanDerWaalsContact C-N 3.31Å; A296-R298 PolarHBondContact O-N 3.01Å; A296-E299 PolarHBondContact O-N 3.07Å; A296-I300 WeakPolarHBondContact O-CG1 3.37Å
297D68.3Low75.4Confident19 Ų1989 Ų8910%0.10246%0.464CS..Hα-helixtrans-63.3-28.8-172.1-74.3-6.1000115S293 I295 E299 I300 R334 Y335S293-D297 PolarHBondContact O-N 2.88Å; I295-D297 VanDerWaalsContact C-N 3.35Å; I295-D297 PolarHBondContact O-N 3Å; D297-E299 VanDerWaalsContact C-N 3.25Å; D297-E299 PolarHBondContact O-N 3.08Å; D297-I300 PolarHBondContact O-N 3.19Å; D297-R334 IonicContact OD2-CZ 2.67Å; D297-R334 VanDerWaalsContact OD2-CZ 3.29Å; D297-R334 IonicContact OD2-NH1 3.19Å; D297-R334 PolarHBondContact OD2-NH1 3.5Å; D297-R334 IonicContact OD2-NH2 3.89Å; D297-R334 PolarHBondContact OD2-NH2 3.03Å; D297-Y335 HydrophobicContact CB-CD2 4.2Å; D297-Y335 HydrophobicContact CB-CE2 4.16Å
298R74.9Confident76.2Confident160 Ų16087.7 Ų87.760%0.60446%0.458SS*.THydrogen-bonded Turntrans-65.2-27.7-174.8-81-175.6149.2-174.3-3.8113.7A296 Y335A296-R298 VanDerWaalsContact C-N 3.31Å; A296-R298 PolarHBondContact O-N 3.01Å; R298-Y335 HydrophobicContact CG-CD1 4.24Å; R298-Y335 HydrophobicContact CG-CD2 4.01Å; R298-Y335 HydrophobicContact CG-CE1 4.11Å; R298-Y335 HydrophobicContact CG-CE2 3.86Å; R298-Y335 HydrophobicContact CG-CG 4.2Å
299E75.8Confident77.2Confident174 Ų17489 Ų8981%0.81346%0.457SS*.THydrogen-bonded Turntrans-105.1-1.7-175.6-61.2-171.1168.900113.2A296 D297 K301A296-E299 PolarHBondContact O-N 3.07Å; D297-E299 VanDerWaalsContact C-N 3.25Å; D297-E299 PolarHBondContact O-N 3.08Å; E299-K301 PolarHBondContact O-N 2.98Å
300I81.5Confident78Confident51 Ų5188.3 Ų88.326%0.26246%0.455SS..  trans-70.8121.3-176.6-55.4-176.1000109.9A296 D297 F333A296-I300 WeakPolarHBondContact O-CG1 3.37Å; D297-I300 PolarHBondContact O-N 3.19Å; I300-F333 HydrophobicContact CB-CE1 4.45Å; I300-F333 HydrophobicContact CG2-CD1 4.04Å; I300-F333 HydrophobicContact CG2-CE1 3.41Å; I300-F333 VanDerWaalsContact CG2-CE1 3.41Å; I300-F333 HydrophobicContact CG2-CZ 4.08Å
301K85.7Confident79Confident174 Ų17487.8 Ų87.876%0.75746%0.455SS*.  trans-106.2137.5169.4-66.6-176.8-178.5177.70110.5E299E299-K301 PolarHBondContact O-N 2.98Å
302P88.6Confident80.4Confident21 Ų2191.6 Ų91.614%0.13647%0.465CS..  trans-68.7147177.927.4-32.4000110.6T306 R307 L310 F333 Y336P302-T306 HydrophobicContact CB-CG2 3.81Å; P302-R307 HydrophobicContact CB-CB 4.3Å; P302-R307 HydrophobicContact CG-CB 4.18Å; P302-L310 HydrophobicContact CB-CD1 4.18Å; P302-L310 HydrophobicContact CG-CD1 4.29Å; P302-F333 VanDerWaalsContact CA-CE1 3.41Å; P302-F333 HydrophobicContact CB-CD1 4Å; P302-F333 HydrophobicContact CB-CE1 3.65Å; P302-F333 HydrophobicContact CB-CZ 3.95Å; P302-F333 HydrophobicContact CG-CD1 4.26Å; P302-F333 HydrophobicContact CG-CE1 4.3Å; P302-F333 VanDerWaalsContact N-CE1 3.34Å; P302-Y336 HydrophobicContact CG-CD1 3.91Å; P302-Y336 HydrophobicContact CG-CD2 4.39Å; P302-Y336 HydrophobicContact CG-CE1 3.72Å; P302-Y336 HydrophobicContact CG-CE2 4.21Å; P302-Y336 HydrophobicContact CG-CG 4.25Å
303N91.7Very high81.8Confident94 Ų9480.1 Ų80.150%0.50342%0.421SS..  trans-72173.2166.567.121.3000110S305 T306 R307N303-S305 PolarHBondContact O-N 2.8Å; N303-S305 PolarHBondContact OD1-N 3.08Å; N303-S305 PolarHBondContact OD1-OG 2.95Å; N303-S305 VanDerWaalsContact OD1-OG 3.07Å; N303-T306 PolarHBondContact O-N 3.1Å; N303-T306 WeakPolarHBondContact OD1-CB 3.47Å; N303-T306 PolarHBondContact OD1-N 3.02Å; N303-T306 PolarHBondContact OD1-OG1 2.91Å; N303-R307 WeakPolarHBondContact O-CB 3.42Å; N303-R307 PolarHBondContact O-N 3.18Å
304A89.9Confident83.1Confident62 Ų6278.1 Ų78.151%0.51241%0.407SS..Hα-helixtrans-57.1-47-175.200000113R307 D308A304-R307 PolarHBondContact O-N 3.07Å; A304-D308 PolarHBondContact O-N 2.94Å
305S92.7Very high84.2Confident83 Ų8379.5 Ų79.558%0.5842%0.415SS*.Hα-helixtrans-66.6-41.2-179.453.40000112.8N303 R307 D308 L309N303-S305 PolarHBondContact O-N 2.8Å; N303-S305 PolarHBondContact OD1-N 3.08Å; N303-S305 PolarHBondContact OD1-OG 2.95Å; N303-S305 VanDerWaalsContact OD1-OG 3.07Å; S305-R307 VanDerWaalsContact C-N 3.35Å; S305-D308 PolarHBondContact O-N 3.37Å; S305-L309 WeakPolarHBondContact O-CB 3.47Å; S305-L309 PolarHBondContact O-N 3.47Å
306T90.6Very high85.2Confident26 Ų2673.6 Ų73.616%0.1638%0.383CS..Hα-helixtrans-65.9-38.3175.2-60.20000111.6P302 N303 L309 L310 L329 F333P302-T306 HydrophobicContact CB-CG2 3.81Å; N303-T306 PolarHBondContact O-N 3.1Å; N303-T306 WeakPolarHBondContact OD1-CB 3.47Å; N303-T306 PolarHBondContact OD1-N 3.02Å; N303-T306 PolarHBondContact OD1-OG1 2.91Å; T306-L309 PolarHBondContact O-N 2.84Å; T306-L310 HydrophobicContact CG2-CD1 4.14Å; T306-L310 HydrophobicContact CG2-CG 4.35Å; T306-L310 WeakPolarHBondContact O-CB 3.45Å; T306-L310 VanDerWaalsContact O-CG 3.31Å; T306-L310 WeakPolarHBondContact O-CG 3.28Å; T306-L310 PolarHBondContact O-N 3.38Å; T306-L329 HydrophobicContact CG2-CD1 3.88Å; T306-L329 HydrophobicContact CG2-CD2 4.32Å; T306-L329 HydrophobicContact CG2-CG 4.36Å; T306-F333 HydrophobicContact CG2-CD2 4.13Å; T306-F333 HydrophobicContact CG2-CE2 3.49Å; T306-F333 VanDerWaalsContact CG2-CE2 3.49Å; T306-F333 HydrophobicContact CG2-CZ 3.87Å
307R91.7Very high85.9Confident119 Ų11972 Ų7245%0.44937%0.368SS..Hα-helixtrans-63-43.9176.4-175.2-161.865.2-164.5-5111.1P302 N303 A304 S305 L309 L310 A311P302-R307 HydrophobicContact CB-CB 4.3Å; P302-R307 HydrophobicContact CG-CB 4.18Å; N303-R307 WeakPolarHBondContact O-CB 3.42Å; N303-R307 PolarHBondContact O-N 3.18Å; A304-R307 PolarHBondContact O-N 3.07Å; S305-R307 VanDerWaalsContact C-N 3.35Å; R307-L309 VanDerWaalsContact C-N 3.33Å; R307-L310 PolarHBondContact O-N 2.69Å; R307-A311 WeakPolarHBondContact O-CB 3.3Å; R307-A311 PolarHBondContact O-N 3.13Å
308D91.1Very high86.1Confident88 Ų8871.2 Ų71.247%0.47136%0.363SS..Hα-helixtrans-67.7-36.4179.9-61-12.2000110.9A304 S305 A311 K312A304-D308 PolarHBondContact O-N 2.94Å; S305-D308 PolarHBondContact O-N 3.37Å; D308-A311 PolarHBondContact O-N 2.88Å; D308-K312 PolarHBondContact O-N 3.17Å
309L91.7Very high85.9Confident77 Ų7766.1 Ų66.140%0.40335%0.348SS..Hα-helixtrans-65-45.5171.7-177.161.4000112.4S305 T306 R307 A311 K312 I313 L329S305-L309 WeakPolarHBondContact O-CB 3.47Å; S305-L309 PolarHBondContact O-N 3.47Å; T306-L309 PolarHBondContact O-N 2.84Å; R307-L309 VanDerWaalsContact C-N 3.33Å; L309-A311 VanDerWaalsContact C-N 3.31Å; L309-A311 PolarHBondContact O-N 2.85Å; L309-K312 WeakPolarHBondContact O-CB 3.49Å; L309-K312 PolarHBondContact O-N 3.34Å; L309-K312 VanDerWaalsContact O-N 3.14Å; L309-I313 HydrophobicContact CD1-CD1 4.43Å; L309-I313 HydrophobicContact CG-CD1 4.05Å; L309-I313 WeakPolarHBondContact O-CG1 3.44Å; L309-I313 PolarHBondContact O-N 2.77Å; L309-L329 HydrophobicContact CD2-CD2 3.64Å; L309-L329 HydrophobicContact CG-CD2 4.08Å
310L92.1Very high86Confident3 Ų362 Ų622%0.01633%0.328CS..Hα-helixtrans-60.3-41.3175-75.8172.2000111.3P302 T306 R307 K312 I313 V314 L329 V330 F333 L337P302-L310 HydrophobicContact CB-CD1 4.18Å; P302-L310 HydrophobicContact CG-CD1 4.29Å; T306-L310 HydrophobicContact CG2-CD1 4.14Å; T306-L310 HydrophobicContact CG2-CG 4.35Å; T306-L310 WeakPolarHBondContact O-CB 3.45Å; T306-L310 VanDerWaalsContact O-CG 3.31Å; T306-L310 WeakPolarHBondContact O-CG 3.28Å; T306-L310 PolarHBondContact O-N 3.38Å; R307-L310 PolarHBondContact O-N 2.69Å; L310-K312 VanDerWaalsContact C-N 3.3Å; L310-K312 PolarHBondContact O-N 3.45Å; L310-I313 PolarHBondContact O-N 3.02Å; L310-V314 WeakPolarHBondContact O-CB 3.46Å; L310-V314 VanDerWaalsContact O-CG2 3.25Å; L310-V314 WeakPolarHBondContact O-CG2 3.46Å; L310-V314 PolarHBondContact O-N 3.3Å; L310-L329 HydrophobicContact CD2-CD2 4.01Å; L310-L329 HydrophobicContact CD2-CG 4.02Å; L310-L329 HydrophobicContact CG-CD2 4.27Å; L310-V330 HydrophobicContact CD2-CG2 4.22Å; L310-F333 HydrophobicContact CD1-CB 3.93Å; L310-F333 HydrophobicContact CD1-CD2 3.92Å; L310-F333 HydrophobicContact CD1-CG 3.96Å; L310-L337 HydrophobicContact CD2-CD1 4.3Å
311A89.8Confident85.9Confident49 Ų4965.6 Ų65.641%0.40535%0.346SS..Hα-helixtrans-61.7-39.6175.300000111.7R307 D308 L309 N315R307-A311 WeakPolarHBondContact O-CB 3.3Å; R307-A311 PolarHBondContact O-N 3.13Å; D308-A311 PolarHBondContact O-N 2.88Å; L309-A311 VanDerWaalsContact C-N 3.31Å; L309-A311 PolarHBondContact O-N 2.85Å; A311-N315 PolarHBondContact O-N 3.13Å; A311-N315 PolarHBondContact O-ND2 2.69Å; A311-N315 VanDerWaalsContact O-ND2 3.15Å
312K88.4Confident85.9Confident137 Ų13757.8 Ų57.860%0.59631%0.313SS*.Hα-helixtrans-63.5-45.1174.1-168.5-179.7-179.4177.40111.8D308 L309 L310 N315 Y316D308-K312 PolarHBondContact O-N 3.17Å; L309-K312 WeakPolarHBondContact O-CB 3.49Å; L309-K312 PolarHBondContact O-N 3.34Å; L309-K312 VanDerWaalsContact O-N 3.14Å; L310-K312 VanDerWaalsContact C-N 3.3Å; L310-K312 PolarHBondContact O-N 3.45Å; K312-N315 PolarHBondContact O-N 3.44Å; K312-Y316 HydrophobicContact CG-CE1 3.99Å; K312-Y316 WeakPolarHBondContact O-CD1 3.29Å; K312-Y316 WeakPolarHBondContact O-CE1 3.5Å; K312-Y316 PolarHBondContact O-N 3.05Å
313I89.7Confident85.8Confident0 Ų060.6 Ų60.60%033%0.327CS..Hα-helixtrans-63.5-44.7178.9-67.8165.1000111.4L309 L310 N315 Y316 L322 E326 L329 V330L309-I313 HydrophobicContact CD1-CD1 4.43Å; L309-I313 HydrophobicContact CG-CD1 4.05Å; L309-I313 WeakPolarHBondContact O-CG1 3.44Å; L309-I313 PolarHBondContact O-N 2.77Å; L310-I313 PolarHBondContact O-N 3.02Å; I313-N315 PolarHBondContact O-N 3.26Å; I313-Y316 HydrophobicContact CB-CD2 4.46Å; I313-Y316 HydrophobicContact CB-CE2 4.22Å; I313-Y316 HydrophobicContact CG1-CE2 3.93Å; I313-Y316 HydrophobicContact CG2-CD2 4.27Å; I313-Y316 HydrophobicContact CG2-CE2 4.27Å; I313-Y316 VanDerWaalsContact O-CB 3.27Å; I313-Y316 WeakPolarHBondContact O-CB 3.42Å; I313-Y316 VanDerWaalsContact O-CG 3.31Å; I313-Y316 PolarHBondContact O-N 3.47Å; I313-Y316 VanDerWaalsContact O-N 3.08Å; I313-L322 HydrophobicContact CG2-CD1 4.49Å; I313-L322 HydrophobicContact CG2-CD2 3.59Å; I313-E326 HydrophobicContact CD1-CB 4.13Å; I313-E326 HydrophobicContact CD1-CG 3.89Å; I313-E326 HydrophobicContact CG1-CG 4.27Å; I313-L329 HydrophobicContact CD1-CD2 4.1Å; I313-V330 HydrophobicContact CG2-CG2 3.94Å
314V87.8Confident85.4Confident10 Ų1057 Ų576%0.06131%0.311CS..Hα-helixtrans-62.6-31.3178.9170.80000111.8L310 Y316 L337 K342 A343L310-V314 WeakPolarHBondContact O-CB 3.46Å; L310-V314 VanDerWaalsContact O-CG2 3.25Å; L310-V314 WeakPolarHBondContact O-CG2 3.46Å; L310-V314 PolarHBondContact O-N 3.3Å; V314-Y316 VanDerWaalsContact C-N 3.33Å; V314-L337 HydrophobicContact CG2-CD2 4.39Å; V314-K342 HydrophobicContact CG1-CB 3.72Å; V314-A343 HydrophobicContact CG1-CB 4.23Å; V314-A343 HydrophobicContact CG2-CB 3.73Å
315N83.5Confident85.1Confident104 Ų10461.6 Ų61.656%0.55632%0.322SS*.THydrogen-bonded Turntrans-88.36.2177.6-71.1-33.4000113.9A311 K312 I313A311-N315 PolarHBondContact O-N 3.13Å; A311-N315 PolarHBondContact O-ND2 2.69Å; A311-N315 VanDerWaalsContact O-ND2 3.15Å; K312-N315 PolarHBondContact O-N 3.44Å; I313-N315 PolarHBondContact O-N 3.26Å
316Y82.1Confident85Confident31 Ų3158.8 Ų58.812%0.12230%0.3CS..SBendtrans-61.4145.9171.8-72.4-13.8000111.5K312 I313 V314 K320 L322 E326K312-Y316 HydrophobicContact CG-CE1 3.99Å; K312-Y316 WeakPolarHBondContact O-CD1 3.29Å; K312-Y316 WeakPolarHBondContact O-CE1 3.5Å; K312-Y316 PolarHBondContact O-N 3.05Å; I313-Y316 HydrophobicContact CB-CD2 4.46Å; I313-Y316 HydrophobicContact CB-CE2 4.22Å; I313-Y316 HydrophobicContact CG1-CE2 3.93Å; I313-Y316 HydrophobicContact CG2-CD2 4.27Å; I313-Y316 HydrophobicContact CG2-CE2 4.27Å; I313-Y316 VanDerWaalsContact O-CB 3.27Å; I313-Y316 WeakPolarHBondContact O-CB 3.42Å; I313-Y316 VanDerWaalsContact O-CG 3.31Å; I313-Y316 PolarHBondContact O-N 3.47Å; I313-Y316 VanDerWaalsContact O-N 3.08Å; V314-Y316 VanDerWaalsContact C-N 3.33Å; Y316-K320 HydrophobicContact CD1-CD 4.05Å; Y316-K320 HydrophobicContact CD2-CD 3.58Å; Y316-K320 HydrophobicContact CD2-CG 4.06Å; Y316-K320 HydrophobicContact CE1-CD 4.35Å; Y316-K320 HydrophobicContact CE2-CD 3.94Å; Y316-K320 VanDerWaalsContact CE2-CE 3.42Å; Y316-K320 VanDerWaalsContact CE2-NZ 3.33Å; Y316-K320 HydrophobicContact CG-CD 3.66Å; Y316-K320 HydrophobicContact CG-CG 4.37Å; Y316-K320 PolarHBondContact OH-NZ 3.39Å; Y316-L322 HydrophobicContact CD2-CD2 3.81Å; Y316-L322 HydrophobicContact CE2-CD2 4.05Å; Y316-E326 VanDerWaalsContact CE2-OE1 3.23Å; Y316-E326 WeakPolarHBondContact CE2-OE1 3.35Å; Y316-E326 PolarHBondContact OH-OE1 2.95Å
317S75.7Confident85Confident31 Ų3160.3 Ų60.322%0.21731%0.305CS..  trans-50141171.4177.60000110.3N319 K320S317-N319 PolarHBondContact O-N 3.41Å; S317-K320 WeakPolarHBondContact O-CB 3.21Å; S317-K320 PolarHBondContact O-N 2.96Å
318P73.6Confident84.7Confident2 Ų255.5 Ų55.51%0.01329%0.288CS..THydrogen-bonded Turntrans-46.1-36.9-179.9-32.836.9000114.7E379 L829 N830P318-E379 HydrophobicContact CB-CG 4.03Å; P318-L829 HydrophobicContact CG-CB 4.23Å; P318-N830 WeakPolarHBondContact CB-OD1 3.48Å; P318-N830 WeakPolarHBondContact CG-OD1 3.28Å
319N70.2Confident84.6Confident52 Ų5253 Ų5328%0.27827%0.274SS..THydrogen-bonded Turntrans-86.7-4.2-176.6-63.9-47.9000114.8S317 L321 A833 L845S317-N319 PolarHBondContact O-N 3.41Å; N319-L321 PolarHBondContact O-N 3.38Å; N319-A833 VanDerWaalsContact OD1-CB 3.31Å; N319-A833 WeakPolarHBondContact OD1-CB 3.41Å; N319-L845 HydrophobicContact CB-CD2 4.37Å; N319-L845 WeakPolarHBondContact ND2-CD2 3.39Å
320K77.9Confident84.6Confident89 Ų8949.3 Ų49.339%0.38726%0.255SS..  trans-76.2112.6177.5-179.9168.2171.7-1750109.4Y316 S317Y316-K320 HydrophobicContact CD1-CD 4.05Å; Y316-K320 HydrophobicContact CD2-CD 3.58Å; Y316-K320 HydrophobicContact CD2-CG 4.06Å; Y316-K320 HydrophobicContact CE1-CD 4.35Å; Y316-K320 HydrophobicContact CE2-CD 3.94Å; Y316-K320 VanDerWaalsContact CE2-CE 3.42Å; Y316-K320 VanDerWaalsContact CE2-NZ 3.33Å; Y316-K320 HydrophobicContact CG-CD 3.66Å; Y316-K320 HydrophobicContact CG-CG 4.37Å; Y316-K320 PolarHBondContact OH-NZ 3.39Å; S317-K320 WeakPolarHBondContact O-CB 3.21Å; S317-K320 PolarHBondContact O-N 2.96Å
321L79.4Confident84.4Confident125 Ų12549.5 Ų49.565%0.65426%0.256SS*.PPolyproline II helixtrans-68.6135.3172.3-65.8171.4000110.2N319N319-L321 PolarHBondContact O-N 3.38Å
322L85.9Confident84.3Confident10 Ų1052 Ų525%0.05226%0.257CS..PPolyproline II helixtrans-77.3137.8174.3-59.1178.9000110.3I313 Y316 E326 K327 V330 K346I313-L322 HydrophobicContact CG2-CD1 4.49Å; I313-L322 HydrophobicContact CG2-CD2 3.59Å; Y316-L322 HydrophobicContact CD2-CD2 3.81Å; Y316-L322 HydrophobicContact CE2-CD2 4.05Å; L322-E326 HydrophobicContact CB-CB 4.17Å; L322-E326 HydrophobicContact CD2-CB 4.32Å; L322-K327 HydrophobicContact CB-CG 3.65Å; L322-K327 HydrophobicContact CD1-CG 4.38Å; L322-K327 WeakPolarHBondContact O-CE 3.03Å; L322-V330 HydrophobicContact CD1-CG2 4.46Å; L322-K346 HydrophobicContact CD1-CB 4.24Å
323N87.2Confident84.4Confident81 Ų8146.1 Ų46.143%0.43323%0.232SC..PPolyproline II helixtrans-75172.3170.470.132.5000111.3E325 E326 K327N323-E325 PolarHBondContact O-N 2.9Å; N323-E325 PolarHBondContact OD1-N 3.32Å; N323-E326 PolarHBondContact N-OE2 3.17Å; N323-E326 VanDerWaalsContact N-OE2 3.07Å; N323-E326 PolarHBondContact O-N 2.94Å; N323-E326 VanDerWaalsContact OD1-CB 3.27Å; N323-E326 WeakPolarHBondContact OD1-CB 3.17Å; N323-E326 WeakPolarHBondContact OD1-CG 3.23Å; N323-E326 PolarHBondContact OD1-N 3.29Å; N323-K327 WeakPolarHBondContact O-CB 3.42Å; N323-K327 VanDerWaalsContact O-CG 3.31Å; N323-K327 WeakPolarHBondContact O-CG 3.35Å; N323-K327 PolarHBondContact O-N 2.83Å
324G82.4Confident84.5Confident17 Ų1746.2 Ų46.218%0.17523%0.232CC..Hα-helixtrans-56.8-48.4-177.800000113.2H285 E326 K327 D328H285-G324 VanDerWaalsContact CE1-CA 3.47Å; H285-G324 WeakPolarHBondContact CE1-CA 3.31Å; H285-G324 PolarHBondContact CE1-O 3.5Å; H285-G324 VanDerWaalsContact NE2-CA 3.32Å; H285-G324 WeakPolarHBondContact NE2-CA 3.43Å; G324-E326 PolarHBondContact O-N 3.33Å; G324-K327 WeakPolarHBondContact O-CB 3.09Å; G324-K327 PolarHBondContact O-N 2.81Å; G324-D328 PolarHBondContact O-N 2.7Å
325E84.7Confident84.6Confident159 Ų15947.9 Ų47.974%0.74324%0.237SC*.Hα-helixtrans-61.9-43.3179.7-60.8-176.5161.700112.6N323 D328 L329N323-E325 PolarHBondContact O-N 2.9Å; N323-E325 PolarHBondContact OD1-N 3.32Å; E325-D328 PolarHBondContact O-N 2.96Å; E325-L329 WeakPolarHBondContact O-CB 3.45Å; E325-L329 PolarHBondContact O-N 2.96Å
326E90.3Very high85Confident24 Ų2448 Ų4811%0.11223%0.231CC..Hα-helixtrans-63.4-42.4176.5-72.2173.6151.200110.9I313 Y316 L322 N323 G324 L329 V330I313-E326 HydrophobicContact CD1-CB 4.13Å; I313-E326 HydrophobicContact CD1-CG 3.89Å; I313-E326 HydrophobicContact CG1-CG 4.27Å; Y316-E326 VanDerWaalsContact CE2-OE1 3.23Å; Y316-E326 WeakPolarHBondContact CE2-OE1 3.35Å; Y316-E326 PolarHBondContact OH-OE1 2.95Å; L322-E326 HydrophobicContact CB-CB 4.17Å; L322-E326 HydrophobicContact CD2-CB 4.32Å; N323-E326 PolarHBondContact N-OE2 3.17Å; N323-E326 VanDerWaalsContact N-OE2 3.07Å; N323-E326 PolarHBondContact O-N 2.94Å; N323-E326 VanDerWaalsContact OD1-CB 3.27Å; N323-E326 WeakPolarHBondContact OD1-CB 3.17Å; N323-E326 WeakPolarHBondContact OD1-CG 3.23Å; N323-E326 PolarHBondContact OD1-N 3.29Å; G324-E326 PolarHBondContact O-N 3.33Å; E326-L329 PolarHBondContact O-N 3.47Å; E326-V330 WeakPolarHBondContact O-CG2 3.48Å; E326-V330 PolarHBondContact O-N 3.18Å
327K89.9Confident85.5Confident58 Ų5846.8 Ų46.825%0.25223%0.227SC..Hα-helixtrans-61.5-45175.5-74.3-178.7177.9-176.20111.5L322 N323 G324 L329 V330 W331 C350L322-K327 HydrophobicContact CB-CG 3.65Å; L322-K327 HydrophobicContact CD1-CG 4.38Å; L322-K327 WeakPolarHBondContact O-CE 3.03Å; N323-K327 WeakPolarHBondContact O-CB 3.42Å; N323-K327 VanDerWaalsContact O-CG 3.31Å; N323-K327 WeakPolarHBondContact O-CG 3.35Å; N323-K327 PolarHBondContact O-N 2.83Å; G324-K327 WeakPolarHBondContact O-CB 3.09Å; G324-K327 PolarHBondContact O-N 2.81Å; K327-L329 VanDerWaalsContact C-N 3.32Å; K327-V330 PolarHBondContact O-N 3.05Å; K327-W331 WeakPolarHBondContact O-CB 3.11Å; K327-W331 PolarHBondContact O-N 3.46Å; K327-C350 HydrophobicContact CB-CB 3.84Å; K327-C350 HydrophobicContact CG-CB 3.97Å
328D85.4Confident86.2Confident18 Ų1848.2 Ų48.210%0.09623%0.229CC..Hα-helixtrans-66.1-36.7178.2-78.1-11.4000112.3H284 H285 R289 G324 E325 W331 K332H284-D328 IonicContact CE1-OD2 3.8Å; H284-D328 IonicContact ND1-OD2 2.7Å; H284-D328 PolarHBondContact ND1-OD2 3.36Å; H285-D328 IonicContact CE1-OD1 3.73Å; H285-D328 PolarHBondContact CE1-OD1 3.45Å; H285-D328 IonicContact CE1-OD2 2.63Å; H285-D328 PolarHBondContact CE1-OD2 2.84Å; H285-D328 VanDerWaalsContact CE1-OD2 3.31Å; H285-D328 IonicContact CG-OD1 3.82Å; H285-D328 IonicContact CG-OD2 3.25Å; H285-D328 IonicContact ND1-OD1 3.49Å; H285-D328 PolarHBondContact ND1-OD1 3.26Å; H285-D328 IonicContact ND1-OD2 3.8Å; H285-D328 PolarHBondContact ND1-OD2 3.34Å; R289-D328 IonicContact CZ-OD1 2.97Å; R289-D328 IonicContact NE-OD1 3.77Å; R289-D328 PolarHBondContact NE-OD1 2.67Å; R289-D328 IonicContact NH2-OD1 3.31Å; R289-D328 PolarHBondContact NH2-OD1 3.49Å; G324-D328 PolarHBondContact O-N 2.7Å; E325-D328 PolarHBondContact O-N 2.96Å; D328-W331 PolarHBondContact O-N 2.88Å; D328-K332 VanDerWaalsContact O-CB 3.26Å; D328-K332 WeakPolarHBondContact O-CB 3.36Å; D328-K332 PolarHBondContact O-N 3.14Å
329L89.4Confident87Confident35 Ų3551 Ų5118%0.18326%0.257CS..Hα-helixtrans-64.3-47.8175.5-165.671.8000111.4T306 L309 L310 I313 E325 E326 K327 W331 K332 F333T306-L329 HydrophobicContact CG2-CD1 3.88Å; T306-L329 HydrophobicContact CG2-CD2 4.32Å; T306-L329 HydrophobicContact CG2-CG 4.36Å; L309-L329 HydrophobicContact CD2-CD2 3.64Å; L309-L329 HydrophobicContact CG-CD2 4.08Å; L310-L329 HydrophobicContact CD2-CD2 4.01Å; L310-L329 HydrophobicContact CD2-CG 4.02Å; L310-L329 HydrophobicContact CG-CD2 4.27Å; I313-L329 HydrophobicContact CD1-CD2 4.1Å; E325-L329 WeakPolarHBondContact O-CB 3.45Å; E325-L329 PolarHBondContact O-N 2.96Å; E326-L329 PolarHBondContact O-N 3.47Å; K327-L329 VanDerWaalsContact C-N 3.32Å; L329-W331 VanDerWaalsContact C-N 3.35Å; L329-K332 PolarHBondContact O-N 3.04Å; L329-F333 HydrophobicContact CD1-CD2 4.16Å; L329-F333 HydrophobicContact CD1-CE2 3.83Å; L329-F333 HydrophobicContact CG-CD2 4.35Å; L329-F333 HydrophobicContact CG-CE2 4.48Å; L329-F333 WeakPolarHBondContact O-CD2 3.47Å; L329-F333 PolarHBondContact O-N 3.19Å
330V91Very high88Confident1 Ų151.6 Ų51.61%0.00626%0.261CS..Hα-helixtrans-62.4-43.4177.2172.70000110.7L310 I313 L322 E326 K327 F333 R334 L337 F347L310-V330 HydrophobicContact CD2-CG2 4.22Å; I313-V330 HydrophobicContact CG2-CG2 3.94Å; L322-V330 HydrophobicContact CD1-CG2 4.46Å; E326-V330 WeakPolarHBondContact O-CG2 3.48Å; E326-V330 PolarHBondContact O-N 3.18Å; K327-V330 PolarHBondContact O-N 3.05Å; V330-F333 CarbonylContact O-C 3.52Å; V330-F333 PolarHBondContact O-N 2.67Å; V330-R334 PolarHBondContact O-N 3Å; V330-R334 VanDerWaalsContact O-N 3.11Å; V330-L337 HydrophobicContact CB-CD1 4.48Å; V330-L337 HydrophobicContact CG1-CD1 3.9Å; V330-F347 HydrophobicContact CG1-CB 4.23Å
331W89.2Confident88.7Confident7 Ų751.2 Ų51.23%0.02726%0.26CS..Hα-helixtrans-60.6-47176.3-177.3-97000111.7R289 K327 D328 L329 F333 R334 F347 V351 E358R289-W331 HydrophobicContact CG-CG 4.22Å; K327-W331 WeakPolarHBondContact O-CB 3.11Å; K327-W331 PolarHBondContact O-N 3.46Å; D328-W331 PolarHBondContact O-N 2.88Å; L329-W331 VanDerWaalsContact C-N 3.35Å; W331-F333 VanDerWaalsContact C-N 3.29Å; W331-F333 PolarHBondContact O-N 2.93Å; W331-R334 VanDerWaalsContact O-CB 3.31Å; W331-R334 WeakPolarHBondContact O-CB 3.42Å; W331-R334 WeakPolarHBondContact O-CD 3.15Å; W331-R334 WeakPolarHBondContact O-CG 3.1Å; W331-R334 PolarHBondContact O-N 2.94Å; W331-R334 PolarHBondContact O-NH1 3.35Å; W331-F347 AromaticContact CE3-CE2 3.8Å; W331-F347 HydrophobicContact CE3-CE2 3.8Å; W331-F347 AromaticContact CZ3-CE2 3.86Å; W331-F347 HydrophobicContact CZ3-CE2 3.86Å; W331-F347 HydrophobicContact CZ3-CZ 4.15Å; W331-V351 HydrophobicContact CE3-CG2 4.49Å; W331-V351 HydrophobicContact CZ3-CB 4.43Å; W331-V351 HydrophobicContact CZ3-CG1 4.3Å; W331-V351 HydrophobicContact CZ3-CG2 3.94Å; W331-E358 HydrophobicContact CH2-CB 3.76Å; W331-E358 HydrophobicContact CH2-CG 3.82Å; W331-E358 HydrophobicContact CZ2-CB 4.25Å; W331-E358 HydrophobicContact CZ2-CG 3.8Å
332K87.3Confident89.1Confident101 Ų10149.4 Ų49.444%0.43925%0.247SC..Hα-helixtrans-57.5-40.8179.4-176.8175.8-177.9175.10112.6D328 L329D328-K332 VanDerWaalsContact O-CB 3.26Å; D328-K332 WeakPolarHBondContact O-CB 3.36Å; D328-K332 PolarHBondContact O-N 3.14Å; L329-K332 PolarHBondContact O-N 3.04Å
333F90.9Very high89.4Confident13 Ų1349 Ų496%0.05725%0.245CC..THydrogen-bonded Turntrans-98.119-178.7-66.5-77.9000114.1I300 P302 T306 L310 L329 V330 W331 Y335 Y336 L337I300-F333 HydrophobicContact CB-CE1 4.45Å; I300-F333 HydrophobicContact CG2-CD1 4.04Å; I300-F333 HydrophobicContact CG2-CE1 3.41Å; I300-F333 VanDerWaalsContact CG2-CE1 3.41Å; I300-F333 HydrophobicContact CG2-CZ 4.08Å; P302-F333 VanDerWaalsContact CA-CE1 3.41Å; P302-F333 HydrophobicContact CB-CD1 4Å; P302-F333 HydrophobicContact CB-CE1 3.65Å; P302-F333 HydrophobicContact CB-CZ 3.95Å; P302-F333 HydrophobicContact CG-CD1 4.26Å; P302-F333 HydrophobicContact CG-CE1 4.3Å; P302-F333 VanDerWaalsContact N-CE1 3.34Å; T306-F333 HydrophobicContact CG2-CD2 4.13Å; T306-F333 HydrophobicContact CG2-CE2 3.49Å; T306-F333 VanDerWaalsContact CG2-CE2 3.49Å; T306-F333 HydrophobicContact CG2-CZ 3.87Å; L310-F333 HydrophobicContact CD1-CB 3.93Å; L310-F333 HydrophobicContact CD1-CD2 3.92Å; L310-F333 HydrophobicContact CD1-CG 3.96Å; L329-F333 HydrophobicContact CD1-CD2 4.16Å; L329-F333 HydrophobicContact CD1-CE2 3.83Å; L329-F333 HydrophobicContact CG-CD2 4.35Å; L329-F333 HydrophobicContact CG-CE2 4.48Å; L329-F333 WeakPolarHBondContact O-CD2 3.47Å; L329-F333 PolarHBondContact O-N 3.19Å; V330-F333 CarbonylContact O-C 3.52Å; V330-F333 PolarHBondContact O-N 2.67Å; W331-F333 VanDerWaalsContact C-N 3.29Å; W331-F333 PolarHBondContact O-N 2.93Å; F333-Y335 VanDerWaalsContact C-N 3.29Å; F333-Y335 PolarHBondContact O-N 3.41Å; F333-Y336 WeakPolarHBondContact O-CB 3.28Å; F333-Y336 PolarHBondContact O-N 3.35Å; F333-L337 WeakPolarHBondContact O-CG 3.35Å; F333-L337 PolarHBondContact O-N 3.48Å
334R90.9Very high89.7Confident3 Ų345.1 Ų45.11%0.01122%0.224CC..Hα-helixtrans-52.5-40.5-177.363.5-164.1175.4-71-1.4114.3D297 V330 W331 Y336 L337 K338 F347 Q361 L365D297-R334 IonicContact OD2-CZ 2.67Å; D297-R334 VanDerWaalsContact OD2-CZ 3.29Å; D297-R334 IonicContact OD2-NH1 3.19Å; D297-R334 PolarHBondContact OD2-NH1 3.5Å; D297-R334 IonicContact OD2-NH2 3.89Å; D297-R334 PolarHBondContact OD2-NH2 3.03Å; V330-R334 PolarHBondContact O-N 3Å; V330-R334 VanDerWaalsContact O-N 3.11Å; W331-R334 VanDerWaalsContact O-CB 3.31Å; W331-R334 WeakPolarHBondContact O-CB 3.42Å; W331-R334 WeakPolarHBondContact O-CD 3.15Å; W331-R334 WeakPolarHBondContact O-CG 3.1Å; W331-R334 PolarHBondContact O-N 2.94Å; W331-R334 PolarHBondContact O-NH1 3.35Å; R334-Y336 PolarHBondContact O-N 3.04Å; R334-L337 PolarHBondContact O-N 3.3Å; R334-K338 PolarHBondContact O-N 3.26Å; R334-F347 HydrophobicContact CB-CD2 3.8Å; R334-F347 HydrophobicContact CB-CE2 3.59Å; R334-F347 HydrophobicContact CB-CZ 4.49Å; R334-F347 HydrophobicContact CG-CE2 4.36Å; R334-Q361 VanDerWaalsContact NE-CD 3.34Å; R334-Q361 VanDerWaalsContact NE-OE1 3.09Å; R334-L365 HydrophobicContact CB-CD1 4.14Å; R334-L365 HydrophobicContact CG-CD1 3.83Å
335Y90.3Very high90.2Very high44 Ų4444.4 Ų44.417%0.17322%0.217CC..Hα-helixtrans-69.7-31.8178.2-66.4-71.5000113.3D297 R298 F333 K338 Q361 L365D297-Y335 HydrophobicContact CB-CD2 4.2Å; D297-Y335 HydrophobicContact CB-CE2 4.16Å; R298-Y335 HydrophobicContact CG-CD1 4.24Å; R298-Y335 HydrophobicContact CG-CD2 4.01Å; R298-Y335 HydrophobicContact CG-CE1 4.11Å; R298-Y335 HydrophobicContact CG-CE2 3.86Å; R298-Y335 HydrophobicContact CG-CG 4.2Å; F333-Y335 VanDerWaalsContact C-N 3.29Å; F333-Y335 PolarHBondContact O-N 3.41Å; Y335-K338 WeakPolarHBondContact O-CB 3.4Å; Y335-Q361 PolarHBondContact OH-NE2 2.63Å; Y335-L365 HydrophobicContact CD1-CD2 3.81Å; Y335-L365 HydrophobicContact CE1-CD1 4.46Å; Y335-L365 HydrophobicContact CE1-CD2 3.65Å; Y335-L365 HydrophobicContact CE1-CG 4.36Å
336Y90.8Very high90.6Very high107 Ų10737 Ų3742%0.4218%0.183SC..Hα-helixtrans-72.2-39.3172.8171.2-96.3000111.2P302 F333 R334 K338P302-Y336 HydrophobicContact CG-CD1 3.91Å; P302-Y336 HydrophobicContact CG-CD2 4.39Å; P302-Y336 HydrophobicContact CG-CE1 3.72Å; P302-Y336 HydrophobicContact CG-CE2 4.21Å; P302-Y336 HydrophobicContact CG-CG 4.25Å; F333-Y336 WeakPolarHBondContact O-CB 3.28Å; F333-Y336 PolarHBondContact O-N 3.35Å; R334-Y336 PolarHBondContact O-N 3.04Å; Y336-K338 VanDerWaalsContact C-N 3.33Å; Y336-K338 PolarHBondContact O-N 2.85Å
337L92.5Very high90.7Very high6 Ų635.9 Ų35.93%0.03118%0.177CC..Hα-helixtrans-74.7-19.8-178.4-68.4174.1000113.9L310 V314 V330 F333 R334 G339 N340 A343 W369L310-L337 HydrophobicContact CD2-CD1 4.3Å; V314-L337 HydrophobicContact CG2-CD2 4.39Å; V330-L337 HydrophobicContact CB-CD1 4.48Å; V330-L337 HydrophobicContact CG1-CD1 3.9Å; F333-L337 WeakPolarHBondContact O-CG 3.35Å; F333-L337 PolarHBondContact O-N 3.48Å; R334-L337 PolarHBondContact O-N 3.3Å; L337-G339 PolarHBondContact O-N 2.94Å; L337-N340 WeakPolarHBondContact O-CB 3.33Å; L337-N340 PolarHBondContact O-N 3.39Å; L337-A343 HydrophobicContact CB-CB 4.01Å; L337-A343 HydrophobicContact CD2-CB 4.08Å; L337-A343 HydrophobicContact CG-CB 4.45Å; L337-W369 VanDerWaalsContact C-CZ2 3.41Å; L337-W369 HydrophobicContact CB-CH2 3.84Å; L337-W369 HydrophobicContact CB-CZ2 3.98Å; L337-W369 WeakPolarHBondContact O-CZ2 3.46Å
338K91.3Very high90.9Very high61 Ų6133.1 Ų33.127%0.26517%0.165SC..THydrogen-bonded Turntrans-44.9-35.2176.3174.7-176.4170.3176.30114.4R334 Y335 Y336 N340 Q368 W369 V370R334-K338 PolarHBondContact O-N 3.26Å; Y335-K338 WeakPolarHBondContact O-CB 3.4Å; Y336-K338 VanDerWaalsContact C-N 3.33Å; Y336-K338 PolarHBondContact O-N 2.85Å; K338-N340 VanDerWaalsContact C-N 3.3Å; K338-N340 PolarHBondContact O-N 3.45Å; K338-Q368 HydrophobicContact CD-CB 4.46Å; K338-Q368 WeakPolarHBondContact CE-O 3.42Å; K338-W369 HydrophobicContact CB-CD2 4.46Å; K338-W369 HydrophobicContact CB-CE3 4.33Å; K338-W369 PolarHBondContact O-NE1 3.36Å; K338-V370 PolarHBondContact O-N 3.18Å
339G90.8Very high91.1Very high59 Ų5933.4 Ų33.461%0.60817%0.166SC*.THydrogen-bonded Turntrans-77.3-9.4179.500000114.9L337L337-G339 PolarHBondContact O-N 2.94Å
340N91.5Very high91.1Very high65 Ų6531.8 Ų31.835%0.34816%0.158SC..  trans-105.8114-177.7-174.8-14.7000110.8L337 K338 K342 A343 W369L337-N340 WeakPolarHBondContact O-CB 3.33Å; L337-N340 PolarHBondContact O-N 3.39Å; K338-N340 VanDerWaalsContact C-N 3.3Å; K338-N340 PolarHBondContact O-N 3.45Å; N340-K342 VanDerWaalsContact C-N 3.29Å; N340-K342 PolarHBondContact O-N 3.43Å; N340-K342 PolarHBondContact OD1-N 3.19Å; N340-A343 HydrophobicContact CB-CB 4.02Å; N340-A343 PolarHBondContact O-N 3.21Å; N340-W369 PolarHBondContact O-NE1 3.46Å
341Q91.5Very high91Very high81 Ų8132.2 Ų32.238%0.37916%0.16SC..THydrogen-bonded Turntrans-56.9-38-179.868.9-176.8-0.400113.5A343 V370Q341-A343 VanDerWaalsContact C-N 3.31Å; Q341-A343 PolarHBondContact O-N 2.99Å; Q341-V370 HydrophobicContact CB-CG1 4.35Å
342K87.6Confident90.9Very high87 Ų8735.2 Ų35.238%0.37817%0.174SC..THydrogen-bonded Turntrans-76-21.3-175.8-66.4-170.8175.9-174.20112.7V314 N340 L344V314-K342 HydrophobicContact CG1-CB 3.72Å; N340-K342 VanDerWaalsContact C-N 3.29Å; N340-K342 PolarHBondContact O-N 3.43Å; N340-K342 PolarHBondContact OD1-N 3.19Å; K342-L344 VanDerWaalsContact C-N 3.29Å; K342-L344 PolarHBondContact O-N 2.87Å
343A92.7Very high91Very high1 Ų133.4 Ų33.41%0.00817%0.165CC..Hα-helixtrans-77.1-16.6-177.900000112.9V314 L337 N340 Q341 A345 K346 F347 W369V314-A343 HydrophobicContact CG1-CB 4.23Å; V314-A343 HydrophobicContact CG2-CB 3.73Å; L337-A343 HydrophobicContact CB-CB 4.01Å; L337-A343 HydrophobicContact CD2-CB 4.08Å; L337-A343 HydrophobicContact CG-CB 4.45Å; N340-A343 HydrophobicContact CB-CB 4.02Å; N340-A343 PolarHBondContact O-N 3.21Å; Q341-A343 VanDerWaalsContact C-N 3.31Å; Q341-A343 PolarHBondContact O-N 2.99Å; A343-A345 PolarHBondContact O-N 3.25Å; A343-K346 PolarHBondContact O-N 2.96Å; A343-F347 PolarHBondContact O-N 3.42Å; A343-W369 HydrophobicContact CB-CZ2 3.96Å
344L94Very high90.8Very high0 Ų036.7 Ų36.70%020%0.202CC..Hα-helixtrans-58.7-47.8-175.7-179.756.6000112.4K342 K346 F347 L348 L366 W369 M372 Y393K342-L344 VanDerWaalsContact C-N 3.29Å; K342-L344 PolarHBondContact O-N 2.87Å; L344-K346 VanDerWaalsContact C-N 3.3Å; L344-K346 PolarHBondContact O-N 2.83Å; L344-F347 HydrophobicContact CD1-CD1 4.34Å; L344-F347 WeakPolarHBondContact O-CB 3.4Å; L344-F347 PolarHBondContact O-N 3.32Å; L344-L348 HydrophobicContact CD1-CD1 3.94Å; L344-L348 HydrophobicContact CD1-CG 4.01Å; L344-L348 HydrophobicContact CG-CD1 3.98Å; L344-L348 HydrophobicContact CG-CG 4.45Å; L344-L348 WeakPolarHBondContact O-CG 3.46Å; L344-L348 PolarHBondContact O-N 3.37Å; L344-L366 HydrophobicContact CD1-CD1 3.79Å; L344-L366 HydrophobicContact CD2-CD1 4.02Å; L344-L366 HydrophobicContact CG-CD1 4.4Å; L344-W369 HydrophobicContact CB-CD2 4.35Å; L344-W369 HydrophobicContact CB-CG 4.35Å; L344-W369 HydrophobicContact CB-CZ2 4.44Å; L344-W369 HydrophobicContact CD1-CB 4.22Å; L344-W369 HydrophobicContact CD1-CD2 3.67Å; L344-W369 HydrophobicContact CD1-CE3 3.99Å; L344-W369 HydrophobicContact CD1-CG 3.78Å; L344-W369 HydrophobicContact CD2-CG 4.41Å; L344-W369 HydrophobicContact CG-CG 4.4Å; L344-M372 HydrophobicContact CD2-CB 4.27Å; L344-M372 HydrophobicContact CD2-CG 4.49Å; L344-M372 HydrophobicContact CD2-SD 4.03Å; L344-Y393 HydrophobicContact CD2-CE1 3.63Å
345A92.5Very high90.5Very high3 Ų339.5 Ų39.53%0.02522%0.22CC..Hα-helixtrans-61.3-40.5-179.900000111.9A343 L348 Q349 E379 L380 F385A343-A345 PolarHBondContact O-N 3.25Å; A345-L348 PolarHBondContact O-N 2.96Å; A345-Q349 WeakPolarHBondContact O-CG 3.3Å; A345-Q349 PolarHBondContact O-N 3.33Å; A345-E379 HydrophobicContact CB-CG 4.29Å; A345-L380 HydrophobicContact CB-CD2 4.13Å; A345-F385 HydrophobicContact CB-CZ 4.47Å
346K92.3Very high90.4Very high4 Ų441.2 Ų41.22%0.01724%0.243CC..Hα-helixtrans-69.8-35.9178.1-54.7-46.6173.6-1510112.3L322 A343 L344 Q349 C350 E379L322-K346 HydrophobicContact CD1-CB 4.24Å; A343-K346 PolarHBondContact O-N 2.96Å; L344-K346 VanDerWaalsContact C-N 3.3Å; L344-K346 PolarHBondContact O-N 2.83Å; K346-Q349 PolarHBondContact O-N 2.65Å; K346-C350 PolarHBondContact O-N 3Å; K346-E379 IonicContact NZ-OE1 3.82Å; K346-E379 PolarHBondContact NZ-OE1 3.11Å; K346-E379 IonicContact NZ-OE2 2.68Å
347F94Very high90.2Very high0 Ų038.8 Ų38.80%024%0.242CC..Hα-helixtrans-61.9-48.1170.4169.3-108.4000111.1V330 W331 R334 A343 L344 Q349 C350 V351 A362 L365 W369V330-F347 HydrophobicContact CG1-CB 4.23Å; W331-F347 AromaticContact CE3-CE2 3.8Å; W331-F347 HydrophobicContact CE3-CE2 3.8Å; W331-F347 AromaticContact CZ3-CE2 3.86Å; W331-F347 HydrophobicContact CZ3-CE2 3.86Å; W331-F347 HydrophobicContact CZ3-CZ 4.15Å; R334-F347 HydrophobicContact CB-CD2 3.8Å; R334-F347 HydrophobicContact CB-CE2 3.59Å; R334-F347 HydrophobicContact CB-CZ 4.49Å; R334-F347 HydrophobicContact CG-CE2 4.36Å; A343-F347 PolarHBondContact O-N 3.42Å; L344-F347 HydrophobicContact CD1-CD1 4.34Å; L344-F347 WeakPolarHBondContact O-CB 3.4Å; L344-F347 PolarHBondContact O-N 3.32Å; F347-Q349 VanDerWaalsContact C-N 3.25Å; F347-Q349 PolarHBondContact O-N 2.84Å; F347-C350 PolarHBondContact O-N 2.87Å; F347-C350 PolarHBondContact O-SG 3.09Å; F347-V351 HydrophobicContact CE1-CG2 4.39Å; F347-V351 HydrophobicContact CE2-CG2 4.43Å; F347-V351 HydrophobicContact CZ-CG2 4.2Å; F347-V351 WeakPolarHBondContact O-CG2 3.33Å; F347-A362 HydrophobicContact CE1-CB 4.34Å; F347-A362 HydrophobicContact CZ-CB 4.27Å; F347-L365 HydrophobicContact CE1-CB 4.21Å; F347-L365 HydrophobicContact CE1-CD1 4.35Å; F347-L365 HydrophobicContact CE2-CD1 4.17Å; F347-L365 HydrophobicContact CZ-CB 4.29Å; F347-L365 HydrophobicContact CZ-CD1 3.66Å; F347-W369 HydrophobicContact CB-CH2 3.66Å; F347-W369 HydrophobicContact CB-CZ2 4.37Å; F347-W369 HydrophobicContact CB-CZ3 4.06Å; F347-W369 HydrophobicContact CD1-CE3 4.15Å; F347-W369 HydrophobicContact CD1-CH2 4.08Å; F347-W369 AromaticContact CD1-CZ3 3.56Å; F347-W369 HydrophobicContact CD1-CZ3 3.56Å; F347-W369 HydrophobicContact CD2-CH2 4.43Å; F347-W369 HydrophobicContact CD2-CZ3 4.27Å; F347-W369 HydrophobicContact CE1-CZ3 4.07Å; F347-W369 AromaticContact CG-CH2 3.79Å; F347-W369 HydrophobicContact CG-CH2 3.79Å; F347-W369 AromaticContact CG-CZ3 3.68Å; F347-W369 HydrophobicContact CG-CZ3 3.68Å
348L93.4Very high90Very high0 Ų039.1 Ų39.10%024%0.243CC..Hα-helixtrans-65.4-28-179.3-66.3173.3000113.2L344 A345 C350 W353 L366 L380 F385 V390L344-L348 HydrophobicContact CD1-CD1 3.94Å; L344-L348 HydrophobicContact CD1-CG 4.01Å; L344-L348 HydrophobicContact CG-CD1 3.98Å; L344-L348 HydrophobicContact CG-CG 4.45Å; L344-L348 WeakPolarHBondContact O-CG 3.46Å; L344-L348 PolarHBondContact O-N 3.37Å; A345-L348 PolarHBondContact O-N 2.96Å; L348-C350 VanDerWaalsContact C-N 3.28Å; L348-C350 PolarHBondContact O-N 3.09Å; L348-W353 HydrophobicContact CD2-CH2 4.23Å; L348-W353 HydrophobicContact CD2-CZ2 4.01Å; L348-L366 HydrophobicContact CD1-CD1 4.19Å; L348-L366 HydrophobicContact CD2-CD1 4.47Å; L348-L380 HydrophobicContact CD1-CD1 4.08Å; L348-L380 HydrophobicContact CD1-CD2 3.76Å; L348-F385 HydrophobicContact CB-CD1 4.12Å; L348-F385 HydrophobicContact CB-CE1 3.68Å; L348-V390 HydrophobicContact CD1-CG1 3.83Å; L348-V390 HydrophobicContact CD1-CG2 4.17Å; L348-V390 HydrophobicContact CD2-CG2 3.99Å
349Q89.5Confident90Very high24 Ų2437.1 Ų37.111%0.11224%0.236CC..Hα-helixtrans-69.8-22.3171.6-73178.85.800113.7A345 K346 F347 E379 F385A345-Q349 WeakPolarHBondContact O-CG 3.3Å; A345-Q349 PolarHBondContact O-N 3.33Å; K346-Q349 PolarHBondContact O-N 2.65Å; F347-Q349 VanDerWaalsContact C-N 3.25Å; F347-Q349 PolarHBondContact O-N 2.84Å; Q349-E379 PolarHBondContact NE2-OE1 3.29Å; Q349-F385 HydrophobicContact CG-CE1 3.7Å; Q349-F385 HydrophobicContact CG-CE2 4.46Å; Q349-F385 HydrophobicContact CG-CZ 3.5Å; Q349-F385 VanDerWaalsContact CG-CZ 3.5Å
350C89.4Confident89.9Confident1 Ų141.2 Ų41.21%0.00724%0.239CC..Hα-helixtrans-86.1-19.4-178.385.50000113.1R289 K327 K346 F347 L348R289-C350 PolarHBondContact NH1-O 2.98Å; R289-C350 PolarHBondContact NH2-O 3.09Å; K327-C350 HydrophobicContact CB-CB 3.84Å; K327-C350 HydrophobicContact CG-CB 3.97Å; K346-C350 PolarHBondContact O-N 3Å; F347-C350 PolarHBondContact O-N 2.87Å; F347-C350 PolarHBondContact O-SG 3.09Å; L348-C350 VanDerWaalsContact C-N 3.28Å; L348-C350 PolarHBondContact O-N 3.09Å
351V89.4Confident89.8Confident9 Ų939.3 Ų39.36%0.05523%0.228CC..  trans-71.7133-176.3-170.20000111.9W331 F347 W353 E358 A362W331-V351 HydrophobicContact CE3-CG2 4.49Å; W331-V351 HydrophobicContact CZ3-CB 4.43Å; W331-V351 HydrophobicContact CZ3-CG1 4.3Å; W331-V351 HydrophobicContact CZ3-CG2 3.94Å; F347-V351 HydrophobicContact CE1-CG2 4.39Å; F347-V351 HydrophobicContact CE2-CG2 4.43Å; F347-V351 HydrophobicContact CZ-CG2 4.2Å; F347-V351 WeakPolarHBondContact O-CG2 3.33Å; V351-W353 HydrophobicContact CB-CZ2 4.18Å; V351-W353 HydrophobicContact CG1-CD2 4.25Å; V351-W353 HydrophobicContact CG1-CZ2 4.31Å; V351-W353 HydrophobicContact CG2-CZ2 4.43Å; V351-W353 PolarHBondContact O-N 3.01Å; V351-E358 HydrophobicContact CG1-CB 4.21Å; V351-A362 HydrophobicContact CB-CB 4.49Å; V351-A362 HydrophobicContact CG1-CB 3.79Å; V351-A362 HydrophobicContact CG2-CB 3.91Å
352H87.2Confident89.8Confident71 Ų7135.4 Ų35.433%0.32921%0.21SC..  trans-8897.2169-63.3105.8000110.8R289 G354 V355 E358R289-H352 PolarHBondContact NH1-CE1 2.88Å; R289-H352 PolarHBondContact NH1-ND1 3.35Å; H352-G354 PolarHBondContact O-N 2.92Å; H352-V355 HydrophobicContact CB-CG2 4.09Å; H352-V355 PolarHBondContact O-N 3.19Å; H352-E358 WeakPolarHBondContact CB-OE2 3.45Å; H352-E358 IonicContact CG-OE2 2.82Å; H352-E358 PolarHBondContact N-OE2 2.86Å; H352-E358 IonicContact ND1-OE1 2.8Å; H352-E358 IonicContact ND1-OE2 2.99Å; H352-E358 PolarHBondContact ND1-OE2 3.47Å
353W88.2Confident90Very high62 Ų6234.3 Ų34.324%0.23521%0.206CC..THydrogen-bonded Turntrans-64.4-8.7-178.3-61.198000115.2L348 V351 V359 A362 H387 V390L348-W353 HydrophobicContact CD2-CH2 4.23Å; L348-W353 HydrophobicContact CD2-CZ2 4.01Å; V351-W353 HydrophobicContact CB-CZ2 4.18Å; V351-W353 HydrophobicContact CG1-CD2 4.25Å; V351-W353 HydrophobicContact CG1-CZ2 4.31Å; V351-W353 HydrophobicContact CG2-CZ2 4.43Å; V351-W353 PolarHBondContact O-N 3.01Å; W353-V359 HydrophobicContact CE3-CB 4.45Å; W353-V359 HydrophobicContact CE3-CG1 4.11Å; W353-V359 HydrophobicContact CE3-CG2 3.89Å; W353-V359 HydrophobicContact CZ3-CG1 4.15Å; W353-V359 WeakPolarHBondContact O-CG2 3.41Å; W353-A362 HydrophobicContact CH2-CB 4.16Å; W353-A362 HydrophobicContact CZ3-CB 4.46Å; W353-H387 HydrophobicContact CD2-CB 3.64Å; W353-H387 AromaticContact CD2-CD2 3.8Å; W353-H387 AromaticContact CD2-CG 3.72Å; W353-H387 HydrophobicContact CE3-CB 3.66Å; W353-H387 AromaticContact CE3-CD2 3.15Å; W353-H387 AromaticContact CE3-CE1 3.83Å; W353-H387 AromaticContact CE3-CG 3.18Å; W353-H387 AromaticContact CE3-ND1 3.62Å; W353-H387 AromaticContact CE3-NE2 3.59Å; W353-H387 HydrophobicContact CG-CB 4.19Å; W353-H387 HydrophobicContact CH2-CB 4.26Å; W353-H387 HydrophobicContact CZ2-CB 4.26Å; W353-H387 HydrophobicContact CZ3-CB 3.97Å; W353-H387 AromaticContact CZ3-CD2 3.76Å; W353-H387 AromaticContact CZ3-CE1 3.66Å; W353-H387 AromaticContact CZ3-CG 3.42Å; W353-H387 VanDerWaalsContact CZ3-CG 3.42Å; W353-H387 AromaticContact CZ3-ND1 3.36Å; W353-H387 WeakPolarHBondContact CZ3-ND1 3.29Å; W353-H387 AromaticContact CZ3-NE2 3.91Å; W353-V390 HydrophobicContact CH2-CG2 3.37Å; W353-V390 HydrophobicContact CZ2-CG2 3.38Å; W353-V390 HydrophobicContact CZ3-CG2 4.37Å
354G86.3Confident89.9Confident82 Ų8237.8 Ų37.885%0.84522%0.224SC*.THydrogen-bonded Turntrans-82.5-11.4171.100000114.4H352H352-G354 PolarHBondContact O-N 2.92Å
355V86Confident89.8Confident62 Ų6237.8 Ų37.838%0.37622%0.224SC..SBendtrans-105.7106.9-176.7-178.10000109.6H352 S357 E358 V359H352-V355 HydrophobicContact CB-CG2 4.09Å; H352-V355 PolarHBondContact O-N 3.19Å; V355-S357 VanDerWaalsContact C-N 3.27Å; V355-S357 PolarHBondContact O-N 3.17Å; V355-S357 VanDerWaalsContact O-N 3.12Å; V355-E358 HydrophobicContact CB-CB 4.28Å; V355-E358 HydrophobicContact CB-CG 4.24Å; V355-E358 HydrophobicContact CG1-CB 4.45Å; V355-E358 HydrophobicContact CG1-CG 4.12Å; V355-E358 PolarHBondContact O-N 2.69Å; V355-V359 WeakPolarHBondContact O-CG2 3.43Å; V355-V359 PolarHBondContact O-N 3.08Å
356A87.4Confident89.8Confident81 Ų8137.9 Ų37.967%0.66923%0.225SC*.Hα-helixtrans-52.4-39.9-173.300000114.2V359 E360A356-V359 PolarHBondContact O-N 2.99Å; A356-E360 PolarHBondContact O-N 2.91Å
357S86.1Confident89.7Confident55 Ų5544 Ų4439%0.38526%0.258SS..Hα-helixtrans-69.5-32.3178.958.40000113.8V355 Q361V355-S357 VanDerWaalsContact C-N 3.27Å; V355-S357 PolarHBondContact O-N 3.17Å; V355-S357 VanDerWaalsContact O-N 3.12Å; S357-Q361 PolarHBondContact O-N 2.89Å
358E88.7Confident89.5Confident14 Ų1447.7 Ų47.77%0.06528%0.275CS..Hα-helixtrans-72.6-38.7173.8-69.9-165.1-166.100110.6R289 W331 V351 H352 V355 Q361 A362R289-E358 WeakPolarHBondContact CD-OE1 3.45Å; R289-E358 IonicContact NH1-OE1 2.84Å; R289-E358 IonicContact NH1-OE2 3.35Å; R289-E358 PolarHBondContact NH1-OE2 3.31Å; W331-E358 HydrophobicContact CH2-CB 3.76Å; W331-E358 HydrophobicContact CH2-CG 3.82Å; W331-E358 HydrophobicContact CZ2-CB 4.25Å; W331-E358 HydrophobicContact CZ2-CG 3.8Å; V351-E358 HydrophobicContact CG1-CB 4.21Å; H352-E358 WeakPolarHBondContact CB-OE2 3.45Å; H352-E358 IonicContact CG-OE2 2.82Å; H352-E358 PolarHBondContact N-OE2 2.86Å; H352-E358 IonicContact ND1-OE1 2.8Å; H352-E358 IonicContact ND1-OE2 2.99Å; H352-E358 PolarHBondContact ND1-OE2 3.47Å; V355-E358 HydrophobicContact CB-CB 4.28Å; V355-E358 HydrophobicContact CB-CG 4.24Å; V355-E358 HydrophobicContact CG1-CB 4.45Å; V355-E358 HydrophobicContact CG1-CG 4.12Å; V355-E358 PolarHBondContact O-N 2.69Å; E358-Q361 PolarHBondContact O-N 2.87Å; E358-A362 VanDerWaalsContact O-CB 3.31Å; E358-A362 WeakPolarHBondContact O-CB 3.36Å; E358-A362 PolarHBondContact O-N 2.84Å
359V91.2Very high89.6Confident19 Ų1948 Ų4812%0.11528%0.276CS..Hα-helixtrans-60.2-52.4176.6177.10000110.8W353 V355 A356 Q361 A362 E363W353-V359 HydrophobicContact CE3-CB 4.45Å; W353-V359 HydrophobicContact CE3-CG1 4.11Å; W353-V359 HydrophobicContact CE3-CG2 3.89Å; W353-V359 HydrophobicContact CZ3-CG1 4.15Å; W353-V359 WeakPolarHBondContact O-CG2 3.41Å; V355-V359 WeakPolarHBondContact O-CG2 3.43Å; V355-V359 PolarHBondContact O-N 3.08Å; A356-V359 PolarHBondContact O-N 2.99Å; V359-Q361 VanDerWaalsContact C-N 3.28Å; V359-Q361 PolarHBondContact O-N 3.41Å; V359-A362 PolarHBondContact O-N 3.29Å; V359-E363 HydrophobicContact CG1-CG 4.32Å; V359-E363 WeakPolarHBondContact O-CG 3.19Å; V359-E363 PolarHBondContact O-N 3.31Å
360E89.6Confident89.7Confident144 Ų14449.8 Ų49.867%0.67329%0.288SS*.Hα-helixtrans-56.6-43.2179.7-173.1-177.5179.200111.7A356 E363 D364A356-E360 PolarHBondContact O-N 2.91Å; E360-E363 PolarHBondContact O-N 2.92Å; E360-D364 PolarHBondContact O-N 3.21Å
361Q88.5Confident89.9Confident25 Ų2553.7 Ų53.712%0.11731%0.314CS..Hα-helixtrans-67.5-39.5176.6-180168.363.600112.7R334 Y335 S357 E358 V359 E363 L365R334-Q361 VanDerWaalsContact NE-CD 3.34Å; R334-Q361 VanDerWaalsContact NE-OE1 3.09Å; Y335-Q361 PolarHBondContact OH-NE2 2.63Å; S357-Q361 PolarHBondContact O-N 2.89Å; E358-Q361 PolarHBondContact O-N 2.87Å; V359-Q361 VanDerWaalsContact C-N 3.28Å; V359-Q361 PolarHBondContact O-N 3.41Å; Q361-E363 VanDerWaalsContact C-N 3.35Å; Q361-L365 HydrophobicContact CG-CD1 4.06Å; Q361-L365 WeakPolarHBondContact O-CB 3.46Å; Q361-L365 WeakPolarHBondContact O-CG 3.4Å; Q361-L365 PolarHBondContact O-N 3.42Å
362A92.5Very high90Very high0 Ų053.4 Ų53.40%031%0.312CS..Hα-helixtrans-65.9-39.1177.700000111.4F347 V351 W353 E358 V359 L365 L366F347-A362 HydrophobicContact CE1-CB 4.34Å; F347-A362 HydrophobicContact CZ-CB 4.27Å; V351-A362 HydrophobicContact CB-CB 4.49Å; V351-A362 HydrophobicContact CG1-CB 3.79Å; V351-A362 HydrophobicContact CG2-CB 3.91Å; W353-A362 HydrophobicContact CH2-CB 4.16Å; W353-A362 HydrophobicContact CZ3-CB 4.46Å; E358-A362 VanDerWaalsContact O-CB 3.31Å; E358-A362 WeakPolarHBondContact O-CB 3.36Å; E358-A362 PolarHBondContact O-N 2.84Å; V359-A362 PolarHBondContact O-N 3.29Å; A362-L365 PolarHBondContact O-N 3.47Å; A362-L366 VanDerWaalsContact O-CB 3.25Å; A362-L366 WeakPolarHBondContact O-CB 3.46Å; A362-L366 PolarHBondContact O-N 3.37Å
363E92.3Very high90.2Very high64 Ų6451.6 Ų51.630%0.29931%0.307SS..Hα-helixtrans-66.5-43.5176.1-68.8-170.314800112.4V359 E360 Q361 L366 N367 H387 T389V359-E363 HydrophobicContact CG1-CG 4.32Å; V359-E363 WeakPolarHBondContact O-CG 3.19Å; V359-E363 PolarHBondContact O-N 3.31Å; E360-E363 PolarHBondContact O-N 2.92Å; Q361-E363 VanDerWaalsContact C-N 3.35Å; E363-L366 PolarHBondContact O-N 3.47Å; E363-N367 PolarHBondContact O-N 2.77Å; E363-N367 PolarHBondContact O-ND2 3.37Å; E363-H387 IonicContact OE1-CE1 3.41Å; E363-H387 PolarHBondContact OE1-CE1 3.02Å; E363-T389 HydrophobicContact CG-CG2 4.06Å; E363-T389 WeakPolarHBondContact OE1-CB 3.44Å; E363-T389 PolarHBondContact OE1-OG1 3.23Å
364D90.6Very high90.3Very high73 Ų7349.9 Ų49.939%0.3930%0.304SS..Hα-helixtrans-60.7-46.2173.5-179.947.7000111.5E360 L366 N367 Q368E360-D364 PolarHBondContact O-N 3.21Å; D364-L366 VanDerWaalsContact C-N 3.35Å; D364-L366 PolarHBondContact O-N 2.88Å; D364-N367 PolarHBondContact O-N 2.85Å; D364-Q368 WeakPolarHBondContact O-CG 3.24Å; D364-Q368 PolarHBondContact O-N 3.34Å; D364-Q368 PolarHBondContact OD1-NE2 3.21Å; D364-Q368 PolarHBondContact OD2-NE2 3.47Å
365L91.4Very high90.5Very high0 Ų048 Ų480%027%0.274CS..Hα-helixtrans-65.1-37.3178.4-81.4173.3000112.7R334 Y335 F347 Q361 A362 N367 Q368 W369R334-L365 HydrophobicContact CB-CD1 4.14Å; R334-L365 HydrophobicContact CG-CD1 3.83Å; Y335-L365 HydrophobicContact CD1-CD2 3.81Å; Y335-L365 HydrophobicContact CE1-CD1 4.46Å; Y335-L365 HydrophobicContact CE1-CD2 3.65Å; Y335-L365 HydrophobicContact CE1-CG 4.36Å; F347-L365 HydrophobicContact CE1-CB 4.21Å; F347-L365 HydrophobicContact CE1-CD1 4.35Å; F347-L365 HydrophobicContact CE2-CD1 4.17Å; F347-L365 HydrophobicContact CZ-CB 4.29Å; F347-L365 HydrophobicContact CZ-CD1 3.66Å; Q361-L365 HydrophobicContact CG-CD1 4.06Å; Q361-L365 WeakPolarHBondContact O-CB 3.46Å; Q361-L365 WeakPolarHBondContact O-CG 3.4Å; Q361-L365 PolarHBondContact O-N 3.42Å; A362-L365 PolarHBondContact O-N 3.47Å; L365-N367 VanDerWaalsContact C-N 3.3Å; L365-N367 PolarHBondContact O-N 3.42Å; L365-Q368 CarbonylContact O-C 3.51Å; L365-Q368 PolarHBondContact O-N 3.42Å; L365-Q368 VanDerWaalsContact O-N 3.15Å; L365-W369 WeakPolarHBondContact O-CB 3.27Å; L365-W369 PolarHBondContact O-N 3.1Å
366L92.8Very high90.7Very high5 Ų546 Ų463%0.02626%0.261CS..Hα-helixtrans-60.6-41.2178.8-17663.9000111.4L344 L348 A362 E363 D364 Q368 W369 T389 Y393L344-L366 HydrophobicContact CD1-CD1 3.79Å; L344-L366 HydrophobicContact CD2-CD1 4.02Å; L344-L366 HydrophobicContact CG-CD1 4.4Å; L348-L366 HydrophobicContact CD1-CD1 4.19Å; L348-L366 HydrophobicContact CD2-CD1 4.47Å; A362-L366 VanDerWaalsContact O-CB 3.25Å; A362-L366 WeakPolarHBondContact O-CB 3.46Å; A362-L366 PolarHBondContact O-N 3.37Å; E363-L366 PolarHBondContact O-N 3.47Å; D364-L366 VanDerWaalsContact C-N 3.35Å; D364-L366 PolarHBondContact O-N 2.88Å; L366-Q368 VanDerWaalsContact C-N 3.27Å; L366-Q368 PolarHBondContact O-N 2.89Å; L366-W369 PolarHBondContact O-N 3.15Å; L366-T389 HydrophobicContact CD2-CG2 4.2Å; L366-Y393 HydrophobicContact CD1-CD1 4.04Å; L366-Y393 HydrophobicContact CD1-CD2 3.93Å; L366-Y393 HydrophobicContact CD1-CE1 4.24Å; L366-Y393 HydrophobicContact CD1-CE2 4.13Å; L366-Y393 HydrophobicContact CD1-CG 3.88Å; L366-Y393 HydrophobicContact CD2-CD2 4.33Å; L366-Y393 HydrophobicContact CD2-CG 4.16Å; L366-Y393 HydrophobicContact CG-CD2 3.91Å; L366-Y393 HydrophobicContact CG-CE2 4.38Å; L366-Y393 HydrophobicContact CG-CG 4.11Å
367N88.5Confident91Very high133 Ų13342.1 Ų42.171%0.71123%0.229SC*.Hα-helixtrans-67.8-27.4177.4-71.3-36.8000113.2E363 D364 L365E363-N367 PolarHBondContact O-N 2.77Å; E363-N367 PolarHBondContact O-ND2 3.37Å; D364-N367 PolarHBondContact O-N 2.85Å; L365-N367 VanDerWaalsContact C-N 3.3Å; L365-N367 PolarHBondContact O-N 3.42Å
368Q91.5Very high91.3Very high77 Ų7739.5 Ų39.536%0.3621%0.211SC..Hα-helixtrans-96.9-12.1-179.6-57.517533.400113.4K338 D364 L365 L366K338-Q368 HydrophobicContact CD-CB 4.46Å; K338-Q368 WeakPolarHBondContact CE-O 3.42Å; D364-Q368 WeakPolarHBondContact O-CG 3.24Å; D364-Q368 PolarHBondContact O-N 3.34Å; D364-Q368 PolarHBondContact OD1-NE2 3.21Å; D364-Q368 PolarHBondContact OD2-NE2 3.47Å; L365-Q368 CarbonylContact O-C 3.51Å; L365-Q368 PolarHBondContact O-N 3.42Å; L365-Q368 VanDerWaalsContact O-N 3.15Å; L366-Q368 VanDerWaalsContact C-N 3.27Å; L366-Q368 PolarHBondContact O-N 2.89Å
369W93.9Very high91.4Very high8 Ų839.4 Ų39.43%0.0321%0.211CC..SBendtrans-64.7147.5-177.7-150.5-76.9000110.7L337 K338 N340 A343 L344 F347 L365 L366L337-W369 VanDerWaalsContact C-CZ2 3.41Å; L337-W369 HydrophobicContact CB-CH2 3.84Å; L337-W369 HydrophobicContact CB-CZ2 3.98Å; L337-W369 WeakPolarHBondContact O-CZ2 3.46Å; K338-W369 HydrophobicContact CB-CD2 4.46Å; K338-W369 HydrophobicContact CB-CE3 4.33Å; K338-W369 PolarHBondContact O-NE1 3.36Å; N340-W369 PolarHBondContact O-NE1 3.46Å; A343-W369 HydrophobicContact CB-CZ2 3.96Å; L344-W369 HydrophobicContact CB-CD2 4.35Å; L344-W369 HydrophobicContact CB-CG 4.35Å; L344-W369 HydrophobicContact CB-CZ2 4.44Å; L344-W369 HydrophobicContact CD1-CB 4.22Å; L344-W369 HydrophobicContact CD1-CD2 3.67Å; L344-W369 HydrophobicContact CD1-CE3 3.99Å; L344-W369 HydrophobicContact CD1-CG 3.78Å; L344-W369 HydrophobicContact CD2-CG 4.41Å; L344-W369 HydrophobicContact CG-CG 4.4Å; F347-W369 HydrophobicContact CB-CH2 3.66Å; F347-W369 HydrophobicContact CB-CZ2 4.37Å; F347-W369 HydrophobicContact CB-CZ3 4.06Å; F347-W369 HydrophobicContact CD1-CE3 4.15Å; F347-W369 HydrophobicContact CD1-CH2 4.08Å; F347-W369 AromaticContact CD1-CZ3 3.56Å; F347-W369 HydrophobicContact CD1-CZ3 3.56Å; F347-W369 HydrophobicContact CD2-CH2 4.43Å; F347-W369 HydrophobicContact CD2-CZ3 4.27Å; F347-W369 HydrophobicContact CE1-CZ3 4.07Å; F347-W369 AromaticContact CG-CH2 3.79Å; F347-W369 HydrophobicContact CG-CH2 3.79Å; F347-W369 AromaticContact CG-CZ3 3.68Å; F347-W369 HydrophobicContact CG-CZ3 3.68Å; L365-W369 WeakPolarHBondContact O-CB 3.27Å; L365-W369 PolarHBondContact O-N 3.1Å; L366-W369 PolarHBondContact O-N 3.15Å
370V93.1Very high91.5Very high60 Ų6038.5 Ų38.536%0.36421%0.205SC..PPolyproline II helixtrans-56.5127.7171.5169.40000109.2K338 Q341 M372K338-V370 PolarHBondContact O-N 3.18Å; Q341-V370 HydrophobicContact CB-CG1 4.35Å; V370-M372 PolarHBondContact O-N 2.98Å
371P91.9Very high91.6Very high84 Ų8431.7 Ų31.755%0.54517%0.173SC..PPolyproline II helixtrans-54.4126.5-178-26.233.6000111.7
372M91.8Very high91.6Very high3 Ų330.8 Ų30.82%0.01517%0.17CC..PPolyproline II helixtrans-72.8163.2178.876.4-171.8-43.300111.9L344 V370 D376 A377 L380 Y393 R397L344-M372 HydrophobicContact CD2-CB 4.27Å; L344-M372 HydrophobicContact CD2-CG 4.49Å; L344-M372 HydrophobicContact CD2-SD 4.03Å; V370-M372 PolarHBondContact O-N 2.98Å; M372-D376 VanDerWaalsContact CE-C 3.44Å; M372-D376 HydrophobicContact CE-CB 3.64Å; M372-D376 WeakPolarHBondContact CE-O 3.31Å; M372-A377 HydrophobicContact CG-CB 4.05Å; M372-A377 VanDerWaalsContact SD-CA 3.54Å; M372-A377 HydrophobicContact SD-CB 3.8Å; M372-L380 HydrophobicContact CE-CD1 4.09Å; M372-L380 HydrophobicContact CE-CG 4.18Å; M372-L380 HydrophobicContact SD-CD1 3.39Å; M372-L380 WeakPolarHBondContact SD-CD1 3.15Å; M372-L380 HydrophobicContact SD-CG 4.05Å; M372-Y393 HydrophobicContact CG-CE1 3.94Å; M372-Y393 PolarHBondContact N-OH 3.5Å; M372-Y393 HydrophobicContact SD-CD1 4.38Å; M372-Y393 HydrophobicContact SD-CE1 3.69Å; M372-R397 HydrophobicContact CG-CG 4.02Å; M372-R397 PolarHBondContact O-NE 3.29Å; M372-R397 PolarHBondContact O-NH2 3.33Å
373S91.5Very high91.2Very high33 Ų3333.8 Ų33.823%0.23119%0.191CC..PPolyproline II helixtrans-68.3158.4173.976.30000111.5D375 D376 A377S373-D375 PolarHBondContact O-N 3.32Å; S373-D376 PolarHBondContact O-N 3.11Å; S373-D376 WeakPolarHBondContact OG-CB 3.5Å; S373-D376 PolarHBondContact OG-N 3Å; S373-D376 PolarHBondContact OG-OD2 2.85Å; S373-A377 WeakPolarHBondContact O-CB 3.4Å; S373-A377 PolarHBondContact O-N 3.32Å
374V91.5Very high90.9Very high26 Ų2634 Ų3416%0.15819%0.194CC..Hα-helixtrans-58.9-37.9174.5177.30000110.7A377 L398 A401 Y409V374-A377 WeakPolarHBondContact O-CB 3.46Å; V374-A377 PolarHBondContact O-N 3.02Å; V374-L398 HydrophobicContact CG1-CD2 3.98Å; V374-A401 HydrophobicContact CG1-CB 3.8Å; V374-A401 HydrophobicContact CG2-CB 4.41Å; V374-Y409 HydrophobicContact CG1-CE2 4.42Å
375D90.2Very high90.8Very high43 Ų4330.6 Ų30.623%0.2318%0.175CC..Hα-helixtrans-69.8-39.2-176.6-58.3-28.6000112S373 A377 Y409 L827 N830S373-D375 PolarHBondContact O-N 3.32Å; D375-A377 VanDerWaalsContact C-N 3.35Å; D375-Y409 PolarHBondContact OD1-OH 2.68Å; D375-L827 HydrophobicContact CB-CB 4.26Å; D375-L827 HydrophobicContact CB-CD1 3.89Å; D375-L827 HydrophobicContact CB-CD2 4.46Å; D375-L827 HydrophobicContact CB-CG 4.42Å; D375-N830 PolarHBondContact O-ND2 2.95Å
376D89.5Confident90.6Very high18 Ų1834.7 Ų34.710%0.09620%0.204CC..Hα-helixtrans-73.4-29.4175.3-61.7-44.8000111.2M372 S373 L378 E379M372-D376 VanDerWaalsContact CE-C 3.44Å; M372-D376 HydrophobicContact CE-CB 3.64Å; M372-D376 WeakPolarHBondContact CE-O 3.31Å; S373-D376 PolarHBondContact O-N 3.11Å; S373-D376 WeakPolarHBondContact OG-CB 3.5Å; S373-D376 PolarHBondContact OG-N 3Å; S373-D376 PolarHBondContact OG-OD2 2.85Å; D376-L378 PolarHBondContact O-N 3.19Å; D376-E379 VanDerWaalsContact O-CB 3.29Å; D376-E379 WeakPolarHBondContact O-CB 3.37Å; D376-E379 PolarHBondContact O-N 3.18Å
377A93.4Very high90.5Very high0 Ų036.4 Ų36.40%021%0.212CC..Hα-helixtrans-63.3-22.517800000113.3M372 S373 V374 D375 E379 L380 R397M372-A377 HydrophobicContact CG-CB 4.05Å; M372-A377 VanDerWaalsContact SD-CA 3.54Å; M372-A377 HydrophobicContact SD-CB 3.8Å; S373-A377 WeakPolarHBondContact O-CB 3.4Å; S373-A377 PolarHBondContact O-N 3.32Å; V374-A377 WeakPolarHBondContact O-CB 3.46Å; V374-A377 PolarHBondContact O-N 3.02Å; D375-A377 VanDerWaalsContact C-N 3.35Å; A377-E379 PolarHBondContact O-N 3.17Å; A377-L380 WeakPolarHBondContact O-CB 3.41Å; A377-L380 PolarHBondContact O-N 2.92Å; A377-R397 HydrophobicContact CB-CB 3.66Å; A377-R397 HydrophobicContact CB-CG 4Å
378L92.6Very high90.5Very high0 Ų032 Ų320%019%0.191CC..G310 helixtrans-62-29.5173.2-65.5171.3000112.5D376 L380 L381 L398 Y409 L413 L827 N830 L831 L834D376-L378 PolarHBondContact O-N 3.19Å; L378-L380 PolarHBondContact O-N 3.36Å; L378-L381 PolarHBondContact O-N 3.25Å; L378-L398 HydrophobicContact CD2-CD2 4.03Å; L378-Y409 HydrophobicContact CD1-CD1 4.42Å; L378-Y409 HydrophobicContact CD1-CD2 3.88Å; L378-Y409 HydrophobicContact CD1-CE2 4.04Å; L378-Y409 HydrophobicContact CD1-CG 4.09Å; L378-Y409 HydrophobicContact CD2-CD2 4.32Å; L378-L413 HydrophobicContact CD2-CD2 3.82Å; L378-L827 HydrophobicContact CD1-CD1 3.7Å; L378-N830 HydrophobicContact CB-CB 4.18Å; L378-L831 HydrophobicContact CD1-CD2 3.75Å; L378-L831 HydrophobicContact CD1-CG 4.32Å; L378-L834 HydrophobicContact CB-CD1 4.3Å; L378-L834 HydrophobicContact CD2-CD1 4.47Å
379E91.5Very high90.5Very high13 Ų1330.6 Ų30.66%0.06119%0.187CC..G310 helixtrans-60-38.7176-173.5173.9162.900111P318 A345 K346 Q349 D376 A377 L381 S382 F385P318-E379 HydrophobicContact CB-CG 4.03Å; A345-E379 HydrophobicContact CB-CG 4.29Å; K346-E379 IonicContact NZ-OE1 3.82Å; K346-E379 PolarHBondContact NZ-OE1 3.11Å; K346-E379 IonicContact NZ-OE2 2.68Å; Q349-E379 PolarHBondContact NE2-OE1 3.29Å; D376-E379 VanDerWaalsContact O-CB 3.29Å; D376-E379 WeakPolarHBondContact O-CB 3.37Å; D376-E379 PolarHBondContact O-N 3.18Å; A377-E379 PolarHBondContact O-N 3.17Å; E379-L381 PolarHBondContact O-N 3.43Å; E379-S382 VanDerWaalsContact O-CB 3.28Å; E379-S382 WeakPolarHBondContact O-CB 3.22Å; E379-S382 PolarHBondContact O-N 3.06Å; E379-S382 VanDerWaalsContact O-N 3.15Å; E379-S382 PolarHBondContact O-OG 3.35Å; E379-F385 HydrophobicContact CG-CE2 4.1Å; E379-F385 VanDerWaalsContact O-CD2 3.29Å; E379-F385 WeakPolarHBondContact O-CD2 3Å; E379-F385 VanDerWaalsContact O-CE2 3.29Å; E379-F385 WeakPolarHBondContact O-CE2 3.44Å
380L93.2Very high90.4Very high0 Ų030.2 Ų30.20%019%0.186CC..G310 helixtrans-71-9.8-178.7-58.4-173000113.7A345 L348 M372 A377 L378 F385 V390 Y393 A394A345-L380 HydrophobicContact CB-CD2 4.13Å; L348-L380 HydrophobicContact CD1-CD1 4.08Å; L348-L380 HydrophobicContact CD1-CD2 3.76Å; M372-L380 HydrophobicContact CE-CD1 4.09Å; M372-L380 HydrophobicContact CE-CG 4.18Å; M372-L380 HydrophobicContact SD-CD1 3.39Å; M372-L380 WeakPolarHBondContact SD-CD1 3.15Å; M372-L380 HydrophobicContact SD-CG 4.05Å; A377-L380 WeakPolarHBondContact O-CB 3.41Å; A377-L380 PolarHBondContact O-N 2.92Å; L378-L380 PolarHBondContact O-N 3.36Å; L380-F385 HydrophobicContact CD2-CD1 4.15Å; L380-F385 HydrophobicContact CD2-CD2 4.3Å; L380-F385 HydrophobicContact CD2-CE1 3.86Å; L380-F385 HydrophobicContact CD2-CE2 4.04Å; L380-F385 HydrophobicContact CD2-CG 4.34Å; L380-F385 HydrophobicContact CD2-CZ 3.77Å; L380-F385 WeakPolarHBondContact O-CB 3.37Å; L380-V390 HydrophobicContact CB-CG1 4.09Å; L380-V390 HydrophobicContact CD1-CG1 4.17Å; L380-V390 HydrophobicContact CD2-CG1 4.14Å; L380-V390 HydrophobicContact CG-CG1 4.36Å; L380-Y393 HydrophobicContact CD1-CD1 3.92Å; L380-Y393 HydrophobicContact CD1-CE1 4.3Å; L380-A394 HydrophobicContact CB-CB 3.75Å; L380-A394 HydrophobicContact CD1-CB 4.31Å
381L92Very high90.4Very high0 Ų027.4 Ų27.40%017%0.169CC..G310 helixtrans-94.6-1.8175.1-65-179.9000113.2L378 E379 R391 A394 V395 L398 L413 A416 L474 L834L378-L381 PolarHBondContact O-N 3.25Å; E379-L381 PolarHBondContact O-N 3.43Å; L381-R391 PolarHBondContact O-NH1 2.88Å; L381-R391 VanDerWaalsContact O-NH1 3.1Å; L381-R391 PolarHBondContact O-NH2 3.44Å; L381-A394 HydrophobicContact CD2-CB 3.83Å; L381-A394 HydrophobicContact CG-CB 4.02Å; L381-V395 HydrophobicContact CD2-CG2 4.47Å; L381-L398 HydrophobicContact CD1-CD1 3.61Å; L381-L413 HydrophobicContact CD1-CD2 3.69Å; L381-A416 HydrophobicContact CB-CB 4.06Å; L381-L474 HydrophobicContact CD1-CD1 4.36Å; L381-L474 HydrophobicContact CD1-CD2 4.41Å; L381-L834 HydrophobicContact CB-CD2 4.33Å
382S88.3Confident90.4Very high7 Ų724.9 Ų24.95%0.04915%0.15CC..SBendtrans-69.6171.1175.869.50000112.9E379 N384 F385 R391E379-S382 VanDerWaalsContact O-CB 3.28Å; E379-S382 WeakPolarHBondContact O-CB 3.22Å; E379-S382 PolarHBondContact O-N 3.06Å; E379-S382 VanDerWaalsContact O-N 3.15Å; E379-S382 PolarHBondContact O-OG 3.35Å; S382-N384 PolarHBondContact O-N 3.39Å; S382-N384 VanDerWaalsContact O-N 3.14Å; S382-F385 PolarHBondContact O-N 3.43Å; S382-R391 PolarHBondContact O-NH1 3.22Å
383S84Confident90.6Very high63 Ų6326.4 Ų26.444%0.44116%0.156SC..THydrogen-bonded Turntrans-62.5-16.4176.653.10000114.3F385S383-F385 PolarHBondContact O-N 2.84Å
384N84.9Confident90.7Very high67 Ų6724.9 Ų24.936%0.35815%0.145SC..THydrogen-bonded Turntrans-73.9-16.2-178.9-63.8-21.8000112.5S382S382-N384 PolarHBondContact O-N 3.39Å; S382-N384 VanDerWaalsContact O-N 3.14Å
385F89.9Confident90.8Very high2 Ų223.6 Ų23.61%0.00914%0.137CC..  trans-125100.3-177.4-53.6-86000110A345 L348 Q349 E379 L380 S382 S383 V390 R391A345-F385 HydrophobicContact CB-CZ 4.47Å; L348-F385 HydrophobicContact CB-CD1 4.12Å; L348-F385 HydrophobicContact CB-CE1 3.68Å; Q349-F385 HydrophobicContact CG-CE1 3.7Å; Q349-F385 HydrophobicContact CG-CE2 4.46Å; Q349-F385 HydrophobicContact CG-CZ 3.5Å; Q349-F385 VanDerWaalsContact CG-CZ 3.5Å; E379-F385 HydrophobicContact CG-CE2 4.1Å; E379-F385 VanDerWaalsContact O-CD2 3.29Å; E379-F385 WeakPolarHBondContact O-CD2 3Å; E379-F385 VanDerWaalsContact O-CE2 3.29Å; E379-F385 WeakPolarHBondContact O-CE2 3.44Å; L380-F385 HydrophobicContact CD2-CD1 4.15Å; L380-F385 HydrophobicContact CD2-CD2 4.3Å; L380-F385 HydrophobicContact CD2-CE1 3.86Å; L380-F385 HydrophobicContact CD2-CE2 4.04Å; L380-F385 HydrophobicContact CD2-CG 4.34Å; L380-F385 HydrophobicContact CD2-CZ 3.77Å; L380-F385 WeakPolarHBondContact O-CB 3.37Å; S382-F385 PolarHBondContact O-N 3.43Å; S383-F385 PolarHBondContact O-N 2.84Å; F385-V390 HydrophobicContact CB-CG1 4.09Å; F385-V390 HydrophobicContact CD1-CG1 4.15Å; F385-V390 HydrophobicContact CG-CG1 4.34Å; F385-R391 PolarHBondContact O-NH1 3.28Å
386S87.1Confident91Very high87 Ų8722.6 Ų22.661%0.60814%0.137SC*.  trans-99.1-14.3179.154.30000113.7
387H90.4Very high91.2Very high40 Ų4023 Ų2319%0.18514%0.137CC..  trans-71.3126.2-174.1-166-92.6000111.9W353 E363 T389 V390 R391W353-H387 HydrophobicContact CD2-CB 3.64Å; W353-H387 AromaticContact CD2-CD2 3.8Å; W353-H387 AromaticContact CD2-CG 3.72Å; W353-H387 HydrophobicContact CE3-CB 3.66Å; W353-H387 AromaticContact CE3-CD2 3.15Å; W353-H387 AromaticContact CE3-CE1 3.83Å; W353-H387 AromaticContact CE3-CG 3.18Å; W353-H387 AromaticContact CE3-ND1 3.62Å; W353-H387 AromaticContact CE3-NE2 3.59Å; W353-H387 HydrophobicContact CG-CB 4.19Å; W353-H387 HydrophobicContact CH2-CB 4.26Å; W353-H387 HydrophobicContact CZ2-CB 4.26Å; W353-H387 HydrophobicContact CZ3-CB 3.97Å; W353-H387 AromaticContact CZ3-CD2 3.76Å; W353-H387 AromaticContact CZ3-CE1 3.66Å; W353-H387 AromaticContact CZ3-CG 3.42Å; W353-H387 VanDerWaalsContact CZ3-CG 3.42Å; W353-H387 AromaticContact CZ3-ND1 3.36Å; W353-H387 WeakPolarHBondContact CZ3-ND1 3.29Å; W353-H387 AromaticContact CZ3-NE2 3.91Å; E363-H387 IonicContact OE1-CE1 3.41Å; E363-H387 PolarHBondContact OE1-CE1 3.02Å; H387-T389 VanDerWaalsContact C-N 3.34Å; H387-T389 PolarHBondContact CE1-OG1 3.13Å; H387-T389 VanDerWaalsContact CE1-OG1 3.25Å; H387-T389 PolarHBondContact ND1-N 3.33Å; H387-T389 PolarHBondContact ND1-OG1 3.4Å; H387-T389 PolarHBondContact O-N 2.73Å; H387-V390 HydrophobicContact CB-CG2 4.26Å; H387-V390 PolarHBondContact O-N 3.36Å; H387-V390 VanDerWaalsContact O-N 3.08Å; H387-R391 PolarHBondContact O-N 3.02Å
388P88.8Confident91.3Very high42 Ų4223 Ų2327%0.27314%0.137SC..Hα-helixtrans-53.8-44.8-175.3-29.235.5000113.6V390 R391 H392P388-V390 VanDerWaalsContact C-N 3.27Å; P388-V390 PolarHBondContact O-N 3.49Å; P388-R391 PolarHBondContact O-N 2.98Å; P388-R391 VanDerWaalsContact O-N 3.11Å; P388-H392 WeakPolarHBondContact O-CB 3.24Å; P388-H392 VanDerWaalsContact O-CG 3.23Å; P388-H392 PolarHBondContact O-N 2.9Å; P388-H392 PolarHBondContact O-ND1 2.91Å; P388-H392 VanDerWaalsContact O-ND1 3.09Å
389T90.3Very high91.2Very high46 Ų4627.8 Ų27.828%0.28216%0.158SC..Hα-helixtrans-59.1-37.4-179.2-46.60000112.9E363 L366 H387 Y393E363-T389 HydrophobicContact CG-CG2 4.06Å; E363-T389 WeakPolarHBondContact OE1-CB 3.44Å; E363-T389 PolarHBondContact OE1-OG1 3.23Å; L366-T389 HydrophobicContact CD2-CG2 4.2Å; H387-T389 VanDerWaalsContact C-N 3.34Å; H387-T389 PolarHBondContact CE1-OG1 3.13Å; H387-T389 VanDerWaalsContact CE1-OG1 3.25Å; H387-T389 PolarHBondContact ND1-N 3.33Å; H387-T389 PolarHBondContact ND1-OG1 3.4Å; H387-T389 PolarHBondContact O-N 2.73Å; T389-Y393 WeakPolarHBondContact O-CB 3.49Å; T389-Y393 PolarHBondContact O-N 3.43Å
390V93.3Very high91.3Very high0 Ų033.6 Ų33.60%019%0.185CC..Hα-helixtrans-69-42.5177.6173.70000110.9L348 W353 L380 F385 H387 P388 Y393 A394L348-V390 HydrophobicContact CD1-CG1 3.83Å; L348-V390 HydrophobicContact CD1-CG2 4.17Å; L348-V390 HydrophobicContact CD2-CG2 3.99Å; W353-V390 HydrophobicContact CH2-CG2 3.37Å; W353-V390 HydrophobicContact CZ2-CG2 3.38Å; W353-V390 HydrophobicContact CZ3-CG2 4.37Å; L380-V390 HydrophobicContact CB-CG1 4.09Å; L380-V390 HydrophobicContact CD1-CG1 4.17Å; L380-V390 HydrophobicContact CD2-CG1 4.14Å; L380-V390 HydrophobicContact CG-CG1 4.36Å; F385-V390 HydrophobicContact CB-CG1 4.09Å; F385-V390 HydrophobicContact CD1-CG1 4.15Å; F385-V390 HydrophobicContact CG-CG1 4.34Å; H387-V390 HydrophobicContact CB-CG2 4.26Å; H387-V390 PolarHBondContact O-N 3.36Å; H387-V390 VanDerWaalsContact O-N 3.08Å; P388-V390 VanDerWaalsContact C-N 3.27Å; P388-V390 PolarHBondContact O-N 3.49Å; V390-Y393 WeakPolarHBondContact O-CB 3.35Å; V390-Y393 PolarHBondContact O-N 2.84Å; V390-A394 PolarHBondContact O-N 3.26Å
391R92.8Very high91.2Very high1 Ų134.3 Ų34.30%0.00419%0.191CC..Hα-helixtrans-69.2-41.9179.5-59-170.968.182.15111.3L381 S382 F385 H387 P388 Y393 A394 V395 A416 E420L381-R391 PolarHBondContact O-NH1 2.88Å; L381-R391 VanDerWaalsContact O-NH1 3.1Å; L381-R391 PolarHBondContact O-NH2 3.44Å; S382-R391 PolarHBondContact O-NH1 3.22Å; F385-R391 PolarHBondContact O-NH1 3.28Å; H387-R391 PolarHBondContact O-N 3.02Å; P388-R391 PolarHBondContact O-N 2.98Å; P388-R391 VanDerWaalsContact O-N 3.11Å; R391-Y393 VanDerWaalsContact C-N 3.32Å; R391-Y393 PolarHBondContact O-N 3.47Å; R391-A394 WeakPolarHBondContact O-CB 3.42Å; R391-A394 PolarHBondContact O-N 3.05Å; R391-A394 VanDerWaalsContact O-N 3.13Å; R391-V395 WeakPolarHBondContact O-CG2 3.48Å; R391-V395 PolarHBondContact O-N 3.35Å; R391-A416 PolarHBondContact NH2-O 2.99Å; R391-E420 IonicContact CZ-OE1 3.01Å; R391-E420 VanDerWaalsContact CZ-OE1 3.25Å; R391-E420 IonicContact CZ-OE2 2.72Å; R391-E420 IonicContact NE-OE1 3.78Å; R391-E420 PolarHBondContact NE-OE1 3.29Å; R391-E420 IonicContact NE-OE2 2.8Å; R391-E420 PolarHBondContact NE-OE2 3.42Å; R391-E420 IonicContact NH2-OE1 3.95Å; R391-E420 PolarHBondContact NH2-OE1 2.93Å
392H92.3Very high91.3Very high31 Ų3137.4 Ų37.414%0.14421%0.212CC..Hα-helixtrans-59.7-40171.8-72.3140.9000112.3P388 V395 G396 E424 S471P388-H392 WeakPolarHBondContact O-CB 3.24Å; P388-H392 VanDerWaalsContact O-CG 3.23Å; P388-H392 PolarHBondContact O-N 2.9Å; P388-H392 PolarHBondContact O-ND1 2.91Å; P388-H392 VanDerWaalsContact O-ND1 3.09Å; H392-V395 PolarHBondContact O-N 2.82Å; H392-G396 PolarHBondContact O-N 3.03Å; H392-E424 IonicContact CE1-OE1 3.93Å; H392-S471 PolarHBondContact CD2-O 3.23Å; H392-S471 WeakPolarHBondContact O-CB 3.46Å; H392-S471 PolarHBondContact O-OG 3.4Å
393Y94Very high91.6Very high36 Ų3641.6 Ų41.614%0.14123%0.228CC..Hα-helixtrans-61.3-48.1171.8176.2-89.9000111.3L344 L366 M372 L380 T389 V390 R391 V395 G396 R397L344-Y393 HydrophobicContact CD2-CE1 3.63Å; L366-Y393 HydrophobicContact CD1-CD1 4.04Å; L366-Y393 HydrophobicContact CD1-CD2 3.93Å; L366-Y393 HydrophobicContact CD1-CE1 4.24Å; L366-Y393 HydrophobicContact CD1-CE2 4.13Å; L366-Y393 HydrophobicContact CD1-CG 3.88Å; L366-Y393 HydrophobicContact CD2-CD2 4.33Å; L366-Y393 HydrophobicContact CD2-CG 4.16Å; L366-Y393 HydrophobicContact CG-CD2 3.91Å; L366-Y393 HydrophobicContact CG-CE2 4.38Å; L366-Y393 HydrophobicContact CG-CG 4.11Å; M372-Y393 HydrophobicContact CG-CE1 3.94Å; M372-Y393 PolarHBondContact N-OH 3.5Å; M372-Y393 HydrophobicContact SD-CD1 4.38Å; M372-Y393 HydrophobicContact SD-CE1 3.69Å; L380-Y393 HydrophobicContact CD1-CD1 3.92Å; L380-Y393 HydrophobicContact CD1-CE1 4.3Å; T389-Y393 WeakPolarHBondContact O-CB 3.49Å; T389-Y393 PolarHBondContact O-N 3.43Å; V390-Y393 WeakPolarHBondContact O-CB 3.35Å; V390-Y393 PolarHBondContact O-N 2.84Å; R391-Y393 VanDerWaalsContact C-N 3.32Å; R391-Y393 PolarHBondContact O-N 3.47Å; Y393-V395 VanDerWaalsContact C-N 3.34Å; Y393-V395 PolarHBondContact O-N 3.26Å; Y393-G396 CarbonylContact O-C 3.49Å; Y393-G396 WeakPolarHBondContact O-CA 3.48Å; Y393-G396 PolarHBondContact O-N 3.02Å; Y393-R397 HydrophobicContact CD1-CG 4.16Å; Y393-R397 HydrophobicContact CE1-CG 3.77Å; Y393-R397 WeakPolarHBondContact O-CG 3.12Å; Y393-R397 PolarHBondContact O-N 3.33Å
394A94.7Very high92Very high0 Ų045 Ų450%024%0.237CC..Hα-helixtrans-58-43.7177.200000112.4L380 L381 V390 R391 G396 R397 L398L380-A394 HydrophobicContact CB-CB 3.75Å; L380-A394 HydrophobicContact CD1-CB 4.31Å; L381-A394 HydrophobicContact CD2-CB 3.83Å; L381-A394 HydrophobicContact CG-CB 4.02Å; V390-A394 PolarHBondContact O-N 3.26Å; R391-A394 WeakPolarHBondContact O-CB 3.42Å; R391-A394 PolarHBondContact O-N 3.05Å; R391-A394 VanDerWaalsContact O-N 3.13Å; A394-G396 VanDerWaalsContact C-N 3.33Å; A394-G396 PolarHBondContact O-N 3.25Å; A394-R397 WeakPolarHBondContact O-CB 3.44Å; A394-R397 PolarHBondContact O-N 3.4Å; A394-L398 WeakPolarHBondContact O-CG 3.45Å; A394-L398 PolarHBondContact O-N 2.88Å
395V94.4Very high92.3Very high0 Ų043.2 Ų43.20%023%0.228CC..Hα-helixtrans-65.3-37.2174.4178.10000111.5L381 R391 H392 Y393 R397 L398 K399 P472 L474 F477L381-V395 HydrophobicContact CD2-CG2 4.47Å; R391-V395 WeakPolarHBondContact O-CG2 3.48Å; R391-V395 PolarHBondContact O-N 3.35Å; H392-V395 PolarHBondContact O-N 2.82Å; Y393-V395 VanDerWaalsContact C-N 3.34Å; Y393-V395 PolarHBondContact O-N 3.26Å; V395-R397 VanDerWaalsContact C-N 3.31Å; V395-R397 PolarHBondContact O-N 3.36Å; V395-L398 PolarHBondContact O-N 3.4Å; V395-K399 PolarHBondContact O-N 2.93Å; V395-K399 VanDerWaalsContact O-N 3.11Å; V395-P472 WeakPolarHBondContact CG1-O 3.38Å; V395-L474 HydrophobicContact CG2-CB 3.88Å; V395-L474 HydrophobicContact CG2-CD1 4.2Å; V395-F477 HydrophobicContact CG1-CB 3.52Å; V395-F477 HydrophobicContact CG1-CD1 4.01Å; V395-F477 HydrophobicContact CG1-CD2 4.38Å; V395-F477 HydrophobicContact CG1-CG 3.72Å
396G93.8Very high92.6Very high22 Ų2243.2 Ų43.223%0.22723%0.228CC..Hα-helixtrans-56-43.8170.900000112.4H392 Y393 A394 K399H392-G396 PolarHBondContact O-N 3.03Å; Y393-G396 CarbonylContact O-C 3.49Å; Y393-G396 WeakPolarHBondContact O-CA 3.48Å; Y393-G396 PolarHBondContact O-N 3.02Å; A394-G396 VanDerWaalsContact C-N 3.33Å; A394-G396 PolarHBondContact O-N 3.25Å; G396-K399 PolarHBondContact O-N 3.15Å
397R94Very high92.9Very high25 Ų2541.6 Ų41.69%0.09421%0.213CC..Hα-helixtrans-64.9-43174-58.5-57.6-55.1115.47.3112.2M372 A377 Y393 A394 V395 K399 E400M372-R397 HydrophobicContact CG-CG 4.02Å; M372-R397 PolarHBondContact O-NE 3.29Å; M372-R397 PolarHBondContact O-NH2 3.33Å; A377-R397 HydrophobicContact CB-CB 3.66Å; A377-R397 HydrophobicContact CB-CG 4Å; Y393-R397 HydrophobicContact CD1-CG 4.16Å; Y393-R397 HydrophobicContact CE1-CG 3.77Å; Y393-R397 WeakPolarHBondContact O-CG 3.12Å; Y393-R397 PolarHBondContact O-N 3.33Å; A394-R397 WeakPolarHBondContact O-CB 3.44Å; A394-R397 PolarHBondContact O-N 3.4Å; V395-R397 VanDerWaalsContact C-N 3.31Å; V395-R397 PolarHBondContact O-N 3.36Å; R397-K399 PolarHBondContact O-N 3.21Å; R397-E400 IonicContact CZ-OE1 2.71Å; R397-E400 IonicContact CZ-OE2 2.66Å; R397-E400 IonicContact NH1-OE1 3.76Å; R397-E400 PolarHBondContact NH1-OE1 3.44Å; R397-E400 IonicContact NH1-OE2 3.99Å; R397-E400 PolarHBondContact NH1-OE2 2.92Å; R397-E400 IonicContact NH2-OE2 3.41Å; R397-E400 PolarHBondContact NH2-OE2 3.22Å; R397-E400 VanDerWaalsContact NH2-OE2 3.13Å; R397-E400 PolarHBondContact O-N 3.4Å
398L94Very high93.1Very high1 Ų140.5 Ų40.51%0.00521%0.208CC..Hα-helixtrans-62.3-27.5179.3-72.8174.5000113.6V374 L378 L381 A394 V395 E400 A401 L413 L474 F477V374-L398 HydrophobicContact CG1-CD2 3.98Å; L378-L398 HydrophobicContact CD2-CD2 4.03Å; L381-L398 HydrophobicContact CD1-CD1 3.61Å; A394-L398 WeakPolarHBondContact O-CG 3.45Å; A394-L398 PolarHBondContact O-N 2.88Å; V395-L398 PolarHBondContact O-N 3.4Å; L398-E400 PolarHBondContact O-N 2.92Å; L398-A401 VanDerWaalsContact O-CB 3.27Å; L398-A401 WeakPolarHBondContact O-CB 3.38Å; L398-A401 PolarHBondContact O-N 3.43Å; L398-A401 VanDerWaalsContact O-N 3.09Å; L398-L413 HydrophobicContact CD1-CD2 3.67Å; L398-L474 HydrophobicContact CD1-CD1 4.34Å; L398-F477 HydrophobicContact CB-CE1 3.83Å; L398-F477 HydrophobicContact CB-CZ 4.13Å; L398-F477 HydrophobicContact CD1-CE1 4.47Å
399K92Very high93.4Very high101 Ų10138.9 Ų38.944%0.43920%0.197SC..THydrogen-bonded Turntrans-62.9-24.2176.6-76176174.2-173.70114V395 G396 R397 A401 F477V395-K399 PolarHBondContact O-N 2.93Å; V395-K399 VanDerWaalsContact O-N 3.11Å; G396-K399 PolarHBondContact O-N 3.15Å; R397-K399 PolarHBondContact O-N 3.21Å; K399-A401 VanDerWaalsContact C-N 3.27Å; K399-F477 HydrophobicContact CB-CE2 4.26Å; K399-F477 HydrophobicContact CG-CD2 3.74Å; K399-F477 HydrophobicContact CG-CE2 3.5Å; K399-F477 HydrophobicContact CG-CZ 4.31Å
400E92.4Very high93.6Very high135 Ų13536.9 Ų36.963%0.63118%0.184SC*.THydrogen-bonded Turntrans-78.6-14.8177-67.9177.3-162.100112.6R397 L398R397-E400 IonicContact CZ-OE1 2.71Å; R397-E400 IonicContact CZ-OE2 2.66Å; R397-E400 IonicContact NH1-OE1 3.76Å; R397-E400 PolarHBondContact NH1-OE1 3.44Å; R397-E400 IonicContact NH1-OE2 3.99Å; R397-E400 PolarHBondContact NH1-OE2 2.92Å; R397-E400 IonicContact NH2-OE2 3.41Å; R397-E400 PolarHBondContact NH2-OE2 3.22Å; R397-E400 VanDerWaalsContact NH2-OE2 3.13Å; R397-E400 PolarHBondContact O-N 3.4Å; L398-E400 PolarHBondContact O-N 2.92Å
401A92.5Very high93.7Very high15 Ų1537.3 Ų37.312%0.12419%0.186CC..SBendtrans-72.9142.5178.100000111.3V374 L398 K399 V405 L406V374-A401 HydrophobicContact CG1-CB 3.8Å; V374-A401 HydrophobicContact CG2-CB 4.41Å; L398-A401 VanDerWaalsContact O-CB 3.27Å; L398-A401 WeakPolarHBondContact O-CB 3.38Å; L398-A401 PolarHBondContact O-N 3.43Å; L398-A401 VanDerWaalsContact O-N 3.09Å; K399-A401 VanDerWaalsContact C-N 3.27Å; A401-V405 HydrophobicContact CB-CB 4.42Å; A401-V405 HydrophobicContact CB-CG1 4.26Å; A401-L406 HydrophobicContact CB-CD1 4.07Å
402S94.3Very high93.7Very high64 Ų6437.2 Ų37.245%0.44819%0.186SC..  trans-67154.9170.765.70000111.1E404 V405 L406S402-E404 PolarHBondContact O-N 3.07Å; S402-V405 PolarHBondContact O-N 3.04Å; S402-V405 WeakPolarHBondContact OG-CG2 3.46Å; S402-L406 PolarHBondContact O-N 2.94Å
403Y93.2Very high93.8Very high95 Ų9535.8 Ų35.837%0.37318%0.179SC..Hα-helixtrans-60.1-30.2178.6-63-30.3000113.3L406 L407 A481 K484 D485 L488Y403-L406 PolarHBondContact O-N 3.27Å; Y403-L407 WeakPolarHBondContact O-CB 3.26Å; Y403-L407 PolarHBondContact O-N 3.38Å; Y403-A481 HydrophobicContact CE1-CB 4.44Å; Y403-K484 HydrophobicContact CE2-CB 4.48Å; Y403-K484 WeakPolarHBondContact OH-CD 3.34Å; Y403-D485 HydrophobicContact CD2-CB 3.8Å; Y403-D485 HydrophobicContact CE2-CB 4.17Å; Y403-D485 HydrophobicContact CG-CB 4.23Å; Y403-L488 HydrophobicContact CD1-CD1 3.71Å; Y403-L488 HydrophobicContact CE1-CD1 4.49Å; Y403-L488 HydrophobicContact CG-CD1 3.87Å
404E92.2Very high93.8Very high135 Ų13534 Ų3463%0.63117%0.173SC*.Hα-helixtrans-63.7-42.5173.1-65-176178.900112.7S402 L407 L408 K668S402-E404 PolarHBondContact O-N 3.07Å; E404-L407 PolarHBondContact O-N 3.4Å; E404-L408 WeakPolarHBondContact O-CG 3.45Å; E404-L408 PolarHBondContact O-N 3.34Å; E404-K668 IonicContact OE2-NZ 2.98Å; E404-K668 PolarHBondContact OE2-NZ 2.68Å
405V92.7Very high93.7Very high29 Ų2934.1 Ų34.118%0.17617%0.173CC..Hα-helixtrans-68.9-41.9177.1172.80000109.9A401 S402 L407 L408 Y409A401-V405 HydrophobicContact CB-CB 4.42Å; A401-V405 HydrophobicContact CB-CG1 4.26Å; S402-V405 PolarHBondContact O-N 3.04Å; S402-V405 WeakPolarHBondContact OG-CG2 3.46Å; V405-L407 PolarHBondContact O-N 3.28Å; V405-L408 WeakPolarHBondContact O-CB 3.44Å; V405-L408 PolarHBondContact O-N 3.33Å; V405-Y409 HydrophobicContact CG1-CD2 4.03Å; V405-Y409 HydrophobicContact CG1-CE2 3.4Å; V405-Y409 PolarHBondContact O-N 2.93Å
406L94.5Very high93.6Very high2 Ų234.1 Ų34.11%0.0117%0.173CC..Hα-helixtrans-57.5-40175.1-118.8121.4000112.5A401 S402 Y403 L408 Y409 L410 L413 F477 L478 L488A401-L406 HydrophobicContact CB-CD1 4.07Å; S402-L406 PolarHBondContact O-N 2.94Å; Y403-L406 PolarHBondContact O-N 3.27Å; L406-L408 VanDerWaalsContact C-N 3.28Å; L406-L408 PolarHBondContact O-N 3.42Å; L406-Y409 CarbonylContact O-C 3.59Å; L406-Y409 PolarHBondContact O-N 3.11Å; L406-Y409 VanDerWaalsContact O-N 3.11Å; L406-L410 WeakPolarHBondContact O-CA 3.4Å; L406-L410 WeakPolarHBondContact O-CB 3.49Å; L406-L410 PolarHBondContact O-N 3.32Å; L406-L413 HydrophobicContact CD2-CD1 4.01Å; L406-L413 HydrophobicContact CG-CD1 4.41Å; L406-F477 HydrophobicContact CD1-CE1 4.12Å; L406-F477 HydrophobicContact CD1-CZ 3.65Å; L406-F477 HydrophobicContact CD2-CE1 3.82Å; L406-F477 HydrophobicContact CD2-CZ 4.07Å; L406-F477 HydrophobicContact CG-CE1 4.43Å; L406-F477 HydrophobicContact CG-CZ 4.42Å; L406-L478 HydrophobicContact CD2-CD2 4.1Å; L406-L488 HydrophobicContact CB-CD2 4.3Å
407L94.4Very high93.5Very high53 Ų5333.1 Ų33.128%0.27716%0.162SC..Hα-helixtrans-64.8-33.2178.1-164.4142.1000111.9Y403 E404 V405 Y409 L410 A487 L488 Y491Y403-L407 WeakPolarHBondContact O-CB 3.26Å; Y403-L407 PolarHBondContact O-N 3.38Å; E404-L407 PolarHBondContact O-N 3.4Å; V405-L407 PolarHBondContact O-N 3.28Å; L407-Y409 VanDerWaalsContact C-N 3.29Å; L407-Y409 PolarHBondContact O-N 3.32Å; L407-L410 PolarHBondContact O-N 3.49Å; L407-A487 HydrophobicContact CD1-CB 3.66Å; L407-L488 HydrophobicContact CB-CD2 3.93Å; L407-L488 HydrophobicContact CD1-CD2 4.27Å; L407-L488 HydrophobicContact CG-CD2 4.35Å; L407-Y491 HydrophobicContact CD1-CD2 3.61Å; L407-Y491 HydrophobicContact CD1-CE2 3.86Å; L407-Y491 HydrophobicContact CD2-CD2 4.19Å; L407-Y491 HydrophobicContact CD2-CE2 4.14Å; L407-Y491 HydrophobicContact CG-CD2 3.97Å; L407-Y491 HydrophobicContact CG-CE2 4.34Å
408L94Very high93.2Very high18 Ų1832.9 Ų32.99%0.09416%0.162CC..Hα-helixtrans-70.4-21.2173.8-66171.9000113.5E404 V405 L406 Q661 T664 L665 K668E404-L408 WeakPolarHBondContact O-CG 3.45Å; E404-L408 PolarHBondContact O-N 3.34Å; V405-L408 WeakPolarHBondContact O-CB 3.44Å; V405-L408 PolarHBondContact O-N 3.33Å; L406-L408 VanDerWaalsContact C-N 3.28Å; L406-L408 PolarHBondContact O-N 3.42Å; L408-Q661 PolarHBondContact O-NE2 3.48Å; L408-T664 HydrophobicContact CD2-CG2 3.78Å; L408-L665 HydrophobicContact CD1-CD1 4.05Å; L408-K668 HydrophobicContact CD1-CD 3.55Å
409Y95.1Very high92.8Very high8 Ų835.1 Ų35.13%0.03117%0.172CC..Hα-helixtrans-106.4-4.3178.5-53.1-24.4000112.7V374 D375 L378 V405 L406 L407 L411 Q412 L413 L665 L827 L831V374-Y409 HydrophobicContact CG1-CE2 4.42Å; D375-Y409 PolarHBondContact OD1-OH 2.68Å; L378-Y409 HydrophobicContact CD1-CD1 4.42Å; L378-Y409 HydrophobicContact CD1-CD2 3.88Å; L378-Y409 HydrophobicContact CD1-CE2 4.04Å; L378-Y409 HydrophobicContact CD1-CG 4.09Å; L378-Y409 HydrophobicContact CD2-CD2 4.32Å; V405-Y409 HydrophobicContact CG1-CD2 4.03Å; V405-Y409 HydrophobicContact CG1-CE2 3.4Å; V405-Y409 PolarHBondContact O-N 2.93Å; L406-Y409 CarbonylContact O-C 3.59Å; L406-Y409 PolarHBondContact O-N 3.11Å; L406-Y409 VanDerWaalsContact O-N 3.11Å; L407-Y409 VanDerWaalsContact C-N 3.29Å; L407-Y409 PolarHBondContact O-N 3.32Å; Y409-L411 VanDerWaalsContact C-N 3.3Å; Y409-L411 PolarHBondContact O-N 2.94Å; Y409-Q412 WeakPolarHBondContact O-CB 3.39Å; Y409-Q412 PolarHBondContact O-N 2.73Å; Y409-Q412 PolarHBondContact O-OE1 3.01Å; Y409-L413 WeakPolarHBondContact O-CG 3.47Å; Y409-L413 PolarHBondContact O-N 3.49Å; Y409-L665 HydrophobicContact CE1-CD1 4.05Å; Y409-L665 HydrophobicContact CE1-CD2 4.13Å; Y409-L827 HydrophobicContact CE1-CD1 3.88Å; Y409-L827 HydrophobicContact CE1-CD2 4.39Å; Y409-L827 WeakPolarHBondContact OH-CD2 3.5Å; Y409-L831 HydrophobicContact CD1-CD1 4.16Å; Y409-L831 HydrophobicContact CD1-CD2 3.75Å; Y409-L831 HydrophobicContact CE1-CD1 4.23Å; Y409-L831 HydrophobicContact CE1-CD2 4.44Å; Y409-L831 HydrophobicContact CG-CD2 4.17Å
410L95.8Very high92.6Very high3 Ų330.8 Ų30.82%0.01615%0.153CC..Hα-helixtrans-59.2-38-166.5-177.161.7000113.2L406 L407 Q412 L413 V414 L478 L488 L492 F495L406-L410 WeakPolarHBondContact O-CA 3.4Å; L406-L410 WeakPolarHBondContact O-CB 3.49Å; L406-L410 PolarHBondContact O-N 3.32Å; L407-L410 PolarHBondContact O-N 3.49Å; L410-Q412 VanDerWaalsContact C-N 3.32Å; L410-Q412 PolarHBondContact O-N 2.96Å; L410-L413 PolarHBondContact O-N 3.19Å; L410-V414 HydrophobicContact CD1-CG2 4.45Å; L410-V414 VanDerWaalsContact O-CG2 3.31Å; L410-V414 WeakPolarHBondContact O-CG2 3.23Å; L410-V414 PolarHBondContact O-N 3.01Å; L410-L478 HydrophobicContact CD1-CD2 4.07Å; L410-L488 HydrophobicContact CD2-CD2 4.1Å; L410-L492 HydrophobicContact CD1-CD1 4.19Å; L410-L492 HydrophobicContact CD2-CB 4.37Å; L410-F495 HydrophobicContact CB-CD2 4.47Å; L410-F495 HydrophobicContact CB-CE2 4.03Å; L410-F495 HydrophobicContact CD2-CD2 4.13Å; L410-F495 HydrophobicContact CD2-CE2 3.89Å; L410-F495 HydrophobicContact CG-CD2 3.91Å; L410-F495 HydrophobicContact CG-CE2 3.85Å
411L93.6Very high92.1Very high9 Ų926.1 Ų26.15%0.04714%0.135CC..Hα-helixtrans-61.4-43.4177.6-174.363.8000111.3Y409 V414 Q415 F495 L658 M835Y409-L411 VanDerWaalsContact C-N 3.3Å; Y409-L411 PolarHBondContact O-N 2.94Å; L411-V414 PolarHBondContact O-N 3.43Å; L411-Q415 WeakPolarHBondContact O-CG 3.42Å; L411-Q415 PolarHBondContact O-N 3.37Å; L411-Q415 VanDerWaalsContact O-N 3.1Å; L411-F495 HydrophobicContact CB-CD2 4.3Å; L411-F495 HydrophobicContact CB-CE2 4.08Å; L411-F495 HydrophobicContact CD1-CD2 4.08Å; L411-F495 HydrophobicContact CD1-CE2 4.41Å; L411-F495 HydrophobicContact CD1-CG 4.22Å; L411-L658 HydrophobicContact CD2-CB 4.29Å; L411-L658 HydrophobicContact CD2-CD1 4.06Å; L411-M835 HydrophobicContact CD2-CE 3.99Å; L411-M835 HydrophobicContact CD2-SD 4.48Å; L411-M835 HydrophobicContact CG-CE 4.06Å; L411-M835 HydrophobicContact CG-SD 4.2Å
412Q93.5Very high91.5Very high0 Ų027.6 Ų27.60%014%0.14CC..Hα-helixtrans-70.8-38.3178.7-66.173.716.900111.5Y409 L410 V414 Q415 A416 L831 L834 M835Y409-Q412 WeakPolarHBondContact O-CB 3.39Å; Y409-Q412 PolarHBondContact O-N 2.73Å; Y409-Q412 PolarHBondContact O-OE1 3.01Å; L410-Q412 VanDerWaalsContact C-N 3.32Å; L410-Q412 PolarHBondContact O-N 2.96Å; Q412-V414 VanDerWaalsContact C-N 3.34Å; Q412-Q415 CarbonylContact O-C 3.55Å; Q412-Q415 WeakPolarHBondContact O-CB 3.39Å; Q412-Q415 PolarHBondContact O-N 2.92Å; Q412-Q415 VanDerWaalsContact O-N 3.15Å; Q412-A416 PolarHBondContact O-N 3.09Å; Q412-L831 HydrophobicContact CB-CD2 3.97Å; Q412-L831 HydrophobicContact CG-CB 3.99Å; Q412-L831 HydrophobicContact CG-CD2 3.63Å; Q412-L831 HydrophobicContact CG-CG 4.43Å; Q412-L831 WeakPolarHBondContact CG-O 3.46Å; Q412-L834 HydrophobicContact CB-CB 3.98Å; Q412-L834 HydrophobicContact CB-CD1 3.88Å; Q412-L834 HydrophobicContact CG-CB 4.37Å; Q412-M835 HydrophobicContact CG-CG 3.9Å; Q412-M835 HydrophobicContact CG-SD 3.87Å
413L95.4Very high90.7Very high0 Ų031.2 Ų31.20%015%0.149CC..Hα-helixtrans-64.4-38.7174.3-65176000111.6L378 L381 L398 L406 Y409 L410 Q415 A416 L417 L474 L478L378-L413 HydrophobicContact CD2-CD2 3.82Å; L381-L413 HydrophobicContact CD1-CD2 3.69Å; L398-L413 HydrophobicContact CD1-CD2 3.67Å; L406-L413 HydrophobicContact CD2-CD1 4.01Å; L406-L413 HydrophobicContact CG-CD1 4.41Å; Y409-L413 WeakPolarHBondContact O-CG 3.47Å; Y409-L413 PolarHBondContact O-N 3.49Å; L410-L413 PolarHBondContact O-N 3.19Å; L413-Q415 VanDerWaalsContact C-N 3.3Å; L413-Q415 PolarHBondContact O-N 3.45Å; L413-A416 PolarHBondContact O-N 3Å; L413-L417 PolarHBondContact O-N 3.42Å; L413-L474 HydrophobicContact CD2-CD1 4.29Å; L413-L478 HydrophobicContact CB-CD1 4.32Å; L413-L478 HydrophobicContact CB-CD2 4.28Å; L413-L478 HydrophobicContact CD1-CD2 4.1Å
414V94.4Very high89.9Confident0 Ų029 Ų290%014%0.143CC..Hα-helixtrans-61.5-41.5171.7168.90000110.6L410 L411 Q412 A416 L417 L492 F495 L496 E499 Y528L410-V414 HydrophobicContact CD1-CG2 4.45Å; L410-V414 VanDerWaalsContact O-CG2 3.31Å; L410-V414 WeakPolarHBondContact O-CG2 3.23Å; L410-V414 PolarHBondContact O-N 3.01Å; L411-V414 PolarHBondContact O-N 3.43Å; Q412-V414 VanDerWaalsContact C-N 3.34Å; V414-A416 VanDerWaalsContact C-N 3.32Å; V414-A416 PolarHBondContact O-N 2.97Å; V414-L417 WeakPolarHBondContact O-CB 3.43Å; V414-L417 PolarHBondContact O-N 3.19Å; V414-L492 HydrophobicContact CG2-CD1 3.66Å; V414-F495 HydrophobicContact CG1-CB 4.38Å; V414-F495 HydrophobicContact CG2-CB 4.12Å; V414-F495 HydrophobicContact CG2-CD2 4.38Å; V414-L496 HydrophobicContact CG1-CD2 4.02Å; V414-E499 HydrophobicContact CG1-CG 4.44Å; V414-Y528 HydrophobicContact CG1-CE1 4.13Å
415Q91.4Very high89.3Confident2 Ų222.6 Ų22.61%0.00911%0.113CC..Hα-helixtrans-67.2-30.5175.6-70.5-60.3-42.200113.4L411 Q412 L413 L417 K418 E499 M835L411-Q415 WeakPolarHBondContact O-CG 3.42Å; L411-Q415 PolarHBondContact O-N 3.37Å; L411-Q415 VanDerWaalsContact O-N 3.1Å; Q412-Q415 CarbonylContact O-C 3.55Å; Q412-Q415 WeakPolarHBondContact O-CB 3.39Å; Q412-Q415 PolarHBondContact O-N 2.92Å; Q412-Q415 VanDerWaalsContact O-N 3.15Å; L413-Q415 VanDerWaalsContact C-N 3.3Å; L413-Q415 PolarHBondContact O-N 3.45Å; Q415-L417 PolarHBondContact O-N 3.34Å; Q415-K418 WeakPolarHBondContact O-CD 3.23Å; Q415-K418 WeakPolarHBondContact O-CE 3.27Å; Q415-K418 WeakPolarHBondContact O-CG 3.4Å; Q415-E499 PolarHBondContact NE2-OE1 3.01Å; Q415-E499 PolarHBondContact NE2-OE2 3.36Å; Q415-M835 HydrophobicContact CB-SD 4.26Å; Q415-M835 HydrophobicContact CG-CE 4.02Å; Q415-M835 HydrophobicContact CG-SD 3.6Å
416A92.3Very high88.6Confident0 Ų024.2 Ų24.20%013%0.125CC..Hα-helixtrans-68.2-22.4177.900000113.1L381 R391 Q412 L413 V414 K418 F419 L474 L834L381-A416 HydrophobicContact CB-CB 4.06Å; R391-A416 PolarHBondContact NH2-O 2.99Å; Q412-A416 PolarHBondContact O-N 3.09Å; L413-A416 PolarHBondContact O-N 3Å; V414-A416 VanDerWaalsContact C-N 3.32Å; V414-A416 PolarHBondContact O-N 2.97Å; A416-K418 PolarHBondContact O-N 3.13Å; A416-K418 VanDerWaalsContact O-N 3.15Å; A416-F419 PolarHBondContact O-N 3.35Å; A416-L474 HydrophobicContact CB-CD2 3.79Å; A416-L834 HydrophobicContact CB-CD2 4.19Å
417L91.5Very high87.3Confident0 Ų026.9 Ų26.90%015%0.153CC..G310 helixtrans-59.1-25.9178.4-68.2166.1000113.4L413 V414 Q415 F419 E420 L474 A475 L478 L496 I527 M531L413-L417 PolarHBondContact O-N 3.42Å; V414-L417 WeakPolarHBondContact O-CB 3.43Å; V414-L417 PolarHBondContact O-N 3.19Å; Q415-L417 PolarHBondContact O-N 3.34Å; L417-F419 PolarHBondContact O-N 3.32Å; L417-E420 PolarHBondContact O-N 3.25Å; L417-L474 HydrophobicContact CD2-CB 4.35Å; L417-L474 HydrophobicContact CD2-CD2 4.02Å; L417-L474 HydrophobicContact CD2-CG 3.94Å; L417-L474 HydrophobicContact CG-CD2 4.32Å; L417-A475 HydrophobicContact CD2-CB 3.94Å; L417-L478 HydrophobicContact CD1-CD1 4.16Å; L417-L478 HydrophobicContact CD2-CD1 4.25Å; L417-L478 HydrophobicContact CG-CD1 4.35Å; L417-L496 HydrophobicContact CD1-CD2 4.1Å; L417-I527 HydrophobicContact CB-CG2 4.35Å; L417-M531 HydrophobicContact CD1-CE 3.78Å; L417-M531 HydrophobicContact CD1-CG 4.17Å; L417-M531 HydrophobicContact CD2-CE 4.09Å; L417-M531 HydrophobicContact CD2-SD 4.42Å
418K87.3Confident86Confident21 Ų2125.1 Ų25.19%0.09115%0.148CC..G310 helixtrans-68.8-14.3177.876-157.7166.2-163.20113.8Q415 A416 N837Q415-K418 WeakPolarHBondContact O-CD 3.23Å; Q415-K418 WeakPolarHBondContact O-CE 3.27Å; Q415-K418 WeakPolarHBondContact O-CG 3.4Å; A416-K418 PolarHBondContact O-N 3.13Å; A416-K418 VanDerWaalsContact O-N 3.15Å; K418-N837 HydrophobicContact CD-CB 4.47Å; K418-N837 PolarHBondContact NZ-O 3.2Å
419F87.2Confident84.5Confident47 Ų4729.2 Ų29.221%0.20617%0.173CC..G310 helixtrans-100.1-1.2177.6-50-54.3000112.4A416 L417 N837A416-F419 PolarHBondContact O-N 3.35Å; L417-F419 PolarHBondContact O-N 3.32Å; F419-N837 HydrophobicContact CE1-CB 4.45Å; F419-N837 HydrophobicContact CZ-CB 4.05Å; F419-N837 WeakPolarHBondContact CZ-ND2 3.01Å
420E86.2Confident82.8Confident11 Ų1129.9 Ų29.95%0.05118%0.178CC..SBendtrans-80148.8174.4-65.7-63.2167.600111.2R391 L417 I422 I425 L474R391-E420 IonicContact CZ-OE1 3.01Å; R391-E420 VanDerWaalsContact CZ-OE1 3.25Å; R391-E420 IonicContact CZ-OE2 2.72Å; R391-E420 IonicContact NE-OE1 3.78Å; R391-E420 PolarHBondContact NE-OE1 3.29Å; R391-E420 IonicContact NE-OE2 2.8Å; R391-E420 PolarHBondContact NE-OE2 3.42Å; R391-E420 IonicContact NH2-OE1 3.95Å; R391-E420 PolarHBondContact NH2-OE1 2.93Å; L417-E420 PolarHBondContact O-N 3.25Å; E420-I422 PolarHBondContact O-N 2.9Å; E420-I425 HydrophobicContact CB-CD1 3.64Å; E420-I425 HydrophobicContact CB-CG1 3.77Å; E420-L474 HydrophobicContact CG-CB 4.24Å; E420-L474 VanDerWaalsContact OE1-CB 3.27Å; E420-L474 WeakPolarHBondContact OE1-CB 3.25Å
421P83Confident80.8Confident37 Ų3732.4 Ų32.424%0.2420%0.195CC..  trans-60.3133.1171.6-15.628.7000110.5E423 E424 I425P421-E423 PolarHBondContact O-N 2.81Å; P421-E424 HydrophobicContact CB-CB 4.31Å; P421-E424 HydrophobicContact CB-CG 4.11Å; P421-E424 HydrophobicContact CG-CB 4.49Å; P421-E424 HydrophobicContact CG-CG 4.12Å; P421-E424 PolarHBondContact O-N 3.25Å; P421-I425 WeakPolarHBondContact O-CG1 3.27Å; P421-I425 PolarHBondContact O-N 3.47Å; P421-I425 VanDerWaalsContact O-N 3.11Å
422I79.5Confident78.6Confident45 Ų4534 Ų3423%0.23121%0.205CC..Hα-helixtrans-63.7-31.4-178.9-161.3-168000111.5E420 E424 I425 S426 T522 I530E420-I422 PolarHBondContact O-N 2.9Å; I422-E424 VanDerWaalsContact C-N 3.33Å; I422-I425 PolarHBondContact O-N 2.65Å; I422-S426 VanDerWaalsContact O-CB 3.27Å; I422-S426 WeakPolarHBondContact O-CB 3.35Å; I422-S426 PolarHBondContact O-N 3.34Å; I422-S426 PolarHBondContact O-OG 3.11Å; I422-T522 HydrophobicContact CD1-CG2 3.35Å; I422-T522 HydrophobicContact CG1-CG2 4.15Å; I422-I530 HydrophobicContact CD1-CD1 4.22Å; I422-I530 HydrophobicContact CG1-CD1 4.3Å
423E77Confident76.3Confident140 Ų14041.6 Ų41.665%0.65424%0.239SC*.Hα-helixtrans-63.2-41.3178.4-6277.5-166.100110.8P421 S426 G427P421-E423 PolarHBondContact O-N 2.81Å; E423-S426 PolarHBondContact O-N 3.24Å; E423-G427 WeakPolarHBondContact O-CA 3.43Å; E423-G427 PolarHBondContact O-N 3.24Å
424E77.1Confident73.8Confident49 Ų4946.7 Ų46.723%0.22927%0.269CS..Hα-helixtrans-69.6-42.9176.4-68.8-175.7176.300111.1H392 P421 I422 S426 G428H392-E424 IonicContact CE1-OE1 3.93Å; P421-E424 HydrophobicContact CB-CB 4.31Å; P421-E424 HydrophobicContact CB-CG 4.11Å; P421-E424 HydrophobicContact CG-CB 4.49Å; P421-E424 HydrophobicContact CG-CG 4.12Å; P421-E424 PolarHBondContact O-N 3.25Å; I422-E424 VanDerWaalsContact C-N 3.33Å; E424-S426 VanDerWaalsContact C-N 3.27Å; E424-S426 PolarHBondContact O-N 2.79Å; E424-G428 PolarHBondContact O-N 3.24Å
425I78.9Confident71.2Confident1 Ų154.3 Ų54.31%0.00531%0.305CS..Hα-helixtrans-62.7-36.2176.3-59.7167.8000111.1E420 P421 I422 A475 I527 I530 M531 R534E420-I425 HydrophobicContact CB-CD1 3.64Å; E420-I425 HydrophobicContact CB-CG1 3.77Å; P421-I425 WeakPolarHBondContact O-CG1 3.27Å; P421-I425 PolarHBondContact O-N 3.47Å; P421-I425 VanDerWaalsContact O-N 3.11Å; I422-I425 PolarHBondContact O-N 2.65Å; I425-A475 HydrophobicContact CG1-CB 4.4Å; I425-A475 HydrophobicContact CG2-CB 4.34Å; I425-I527 HydrophobicContact CD1-CG1 4.31Å; I425-I527 HydrophobicContact CD1-CG2 3.65Å; I425-I530 HydrophobicContact CG2-CG2 3.99Å; I425-M531 HydrophobicContact CG2-CG 4.08Å; I425-M531 HydrophobicContact CG2-SD 4.03Å; I425-R534 WeakPolarHBondContact O-CD 3.4Å; I425-R534 PolarHBondContact O-NH1 3.17Å
426S77.8Confident68.3Low63 Ų6356.9 Ų56.944%0.44133%0.332SS..Hα-helixtrans-83.4-38-177.6-55.60000112.5I422 E423 E424I422-S426 VanDerWaalsContact O-CB 3.27Å; I422-S426 WeakPolarHBondContact O-CB 3.35Å; I422-S426 PolarHBondContact O-N 3.34Å; I422-S426 PolarHBondContact O-OG 3.11Å; E423-S426 PolarHBondContact O-N 3.24Å; E424-S426 VanDerWaalsContact C-N 3.27Å; E424-S426 PolarHBondContact O-N 2.79Å
427G68.3Low65.6Low58 Ų5864.5 Ų64.560%0.59837%0.371SS*.Hα-helixtrans-90.4-8.7-174.400000115.2E423 V429E423-G427 WeakPolarHBondContact O-CA 3.43Å; E423-G427 PolarHBondContact O-N 3.24Å; G427-V429 PolarHBondContact O-N 3.08Å
428G66.2Low62.7Low15 Ų1568.9 Ų68.916%0.15540%0.402CS..  trans-53.7125.2-178.300000113.3E424 D430 R534E424-G428 PolarHBondContact O-N 3.24Å; G428-D430 PolarHBondContact O-N 3.22Å; G428-R534 PolarHBondContact O-NH2 3.34Å
429V61.9Low59.8Low105 Ų10576 Ų7664%0.63644%0.435SS*.  trans-77.3105.2177.1-1730000108.5G427 S431 F433G427-V429 PolarHBondContact O-N 3.08Å; V429-S431 PolarHBondContact O-N 3.17Å; V429-F433 HydrophobicContact CG1-CB 4.25Å
430D60.9Low57.1Low22 Ų2280.2 Ų80.212%0.11846%0.458CS..  trans-63.3112.3176.2-63.7-36.3000108.9G428 T432 F433 R534 A538G428-D430 PolarHBondContact O-N 3.22Å; D430-T432 PolarHBondContact O-N 2.95Å; D430-F433 PolarHBondContact O-N 3.04Å; D430-R534 IonicContact OD1-CZ 3.98Å; D430-R534 IonicContact OD1-NE 3.76Å; D430-R534 PolarHBondContact OD1-NE 2.89Å; D430-R534 IonicContact OD1-NH2 3.79Å; D430-R534 PolarHBondContact OD1-NH2 2.94Å; D430-A538 HydrophobicContact CB-CB 4.29Å
431S52.9Low54.4Low56 Ų5684.3 Ų84.339%0.39249%0.488SS..G310 helixtrans-54.8-3.9-173.745.40000116.4V429 F433 V434V429-S431 PolarHBondContact O-N 3.17Å; S431-F433 PolarHBondContact O-N 3.46Å; S431-V434 PolarHBondContact O-N 3.49Å
432T47.4Very low51.8Low41 Ų4191.2 Ų91.225%0.25252%0.515SS..G310 helixtrans-63.2-13.3162.354.70000113.5D430 V434D430-T432 PolarHBondContact O-N 2.95Å; T432-V434 VanDerWaalsContact C-N 3.28Å; T432-V434 PolarHBondContact O-N 3.5Å
433F46.6Very low49.5Very low160 Ų16096.4 Ų96.470%0.70254%0.543SS*.G310 helixtrans-69.9-20.2176.5-151.8-100.6000113.9V429 D430 S431V429-F433 HydrophobicContact CG1-CB 4.25Å; D430-F433 PolarHBondContact O-N 3.04Å; S431-F433 PolarHBondContact O-N 3.46Å
434V42.9Very low47.3Very low107 Ų10796.8 Ų96.865%0.64855%0.55SS*.THydrogen-bonded Turntrans-108.9-18.9-169.8-173.70000113.9S431 T432 G436S431-V434 PolarHBondContact O-N 3.49Å; T432-V434 VanDerWaalsContact C-N 3.28Å; T432-V434 PolarHBondContact O-N 3.5Å; V434-G436 PolarHBondContact O-N 3.15Å
435Q38.4Very low45.2Very low160 Ų160102.4 Ų102.475%0.74858%0.581SS**THydrogen-bonded Turntrans-908.9-178.5-70.3-170.7-25.400114.7
436G31Very low43Very low56 Ų56108.5 Ų108.558%0.57762%0.618SS**THydrogen-bonded Turntrans-94.5-3.5-174.900000117V434V434-G436 PolarHBondContact O-N 3.15Å
437I35.6Very low40.9Very low160 Ų160110.7 Ų110.782%0.82163%0.632SS**SBendtrans-105.3-13.4-173.2-63.2175.1000113.3
438S30Very low39.2Very low92 Ų92115.3 Ų115.364%0.64364%0.643SS**SBendtrans-104.7-2.4-170.550.10000117.2
439H27.3Very low37.6Very low171 Ų171120.1 Ų120.179%0.79267%0.672SS**  trans-143.775.5176.1-81.5-80.3000112.3
440I29.8Very low36.4Very low135 Ų135122.8 Ų122.869%0.69268%0.681SS**  trans-96.287.7156.1-60.6175.9000106.5F442I440-F442 HydrophobicContact CG2-CD2 4.26Å; I440-F442 HydrophobicContact CG2-CE2 4.34Å
441S29.8Very low34.9Very low97 Ų97127.3 Ų127.368%0.67871%0.709SS**  trans-80115.6153.247.20000106.9D443S441-D443 PolarHBondContact O-N 3.38Å; S441-D443 VanDerWaalsContact O-N 3.14Å
442F28.4Very low33.8Very low182 Ų182130.7 Ų130.780%0.79873%0.73SS**  trans-60.8108169.3-84.6-97.2000109I440I440-F442 HydrophobicContact CG2-CD2 4.26Å; I440-F442 HydrophobicContact CG2-CE2 4.34Å
443D31.7Very low33.1Very low154 Ų154135 Ų13582%0.82476%0.756SS**  trans-124.4117153.2-88.3-34.4000108.4S441S441-D443 PolarHBondContact O-N 3.38Å; S441-D443 VanDerWaalsContact O-N 3.14Å
444N30.3Very low32.3Very low149 Ų149136.2 Ų136.280%0.79776%0.764SS**  trans-63.7124.3174.2-76.3-38000109.5
445D34.1Very low31.7Very low166 Ų166138.7 Ų138.789%0.88877%0.774SS**  trans-151.7142.6143.3-104.6-26.3000111.8
446V32.8Very low31.1Very low130 Ų130139.1 Ų139.179%0.78878%0.781SS**  trans-87.5130.5-157.6171.50000111.3
447C32.2Very low31.1Very low108 Ų108140.7 Ų140.773%0.7379%0.788SS**  163.9124.1127-95.90000113.8
448D32.8Very low30.8Very low155 Ų155138.6 Ų138.683%0.82979%0.785SS**  trans104127.7148.9-65.4-24.8000121.2
449P33.2Very low30.5Very low117 Ų117143.5 Ų143.576%0.7680%0.798SS**  trans-108.7125.8-166.336.3-21.2000112.5
450I35.8Very low30.5Very low160 Ų160140.9 Ų140.982%0.82179%0.794SS**  trans-140.9105.8165.1-58.5-177.1000110.1
451T30.6Very low30.2Very low117 Ų117140 Ų14072%0.71880%0.8SS**  trans42.1124.8145.7-8.70000120.8
452P28.2Very low30.1Very low127 Ų127142.4 Ų142.483%0.82580%0.803SS**PPolyproline II helixtrans-82.4123.517433.5-29.2000110.5
453V34Very low30Very low131 Ų131138 Ų13879%0.79480%0.801SS**PPolyproline II helixtrans-97.7127.2163.7176.40000107.7N455V453-N455 PolarHBondContact O-N 3.1Å
454Q28.8Very low29.7Very low186 Ų186138.7 Ų138.787%0.86980%0.801SS**PPolyproline II helixtrans-56.5125.4178.4-71.6168.3-46.800111
455N31Very low29.4Very low160 Ų160138.5 Ų138.586%0.85680%0.8SS**  trans-94.5108.5168.7-88.4-17.2000109V453V453-N455 PolarHBondContact O-N 3.1Å
456D25.7Very low29Very low168 Ų168139.4 Ų139.490%0.89880%0.799SS**  trans-103.2104.6153.1-86.2-31.1000107.6
457A31Very low28.6Very low89 Ų89137 Ų13774%0.73679%0.788SS**  trans-152.1136.616100000109.4
458P28.7Very low28.8Very low117 Ų117138.2 Ų138.276%0.7679%0.791SS**  trans-80.2140.5-164.632.5-33.9000112.1V460P458-V460 PolarHBondContact O-N 3.03Å; P458-V460 VanDerWaalsContact O-N 3.16Å
459E24.3Very low29.2Very low195 Ų195137.3 Ų137.391%0.91179%0.791SS**  trans-62.1109.9167.7-76.4-178.8147.900109.9
460V27.3Very low30.3Very low116 Ų116135.8 Ų135.870%0.70378%0.783SS**  trans-96.699.9163.4-177.70000107.2P458 I462P458-V460 PolarHBondContact O-N 3.03Å; P458-V460 VanDerWaalsContact O-N 3.16Å; V460-I462 HydrophobicContact CG1-CG1 3.97Å; V460-I462 PolarHBondContact O-N 3.44Å
461S23.8Very low31.8Very low117 Ų117129.9 Ų129.982%0.81876%0.756SS**  trans-68.3101.3168.850.30000109.8
462I28.1Very low34.1Very low146 Ų146125.9 Ų125.975%0.74973%0.732SS**  trans-93.3110.4169.5-58.6179.9000107.8V460 M464V460-I462 HydrophobicContact CG1-CG1 3.97Å; V460-I462 PolarHBondContact O-N 3.44Å; I462-M464 PolarHBondContact O-N 3.46Å
463A25.6Very low37Very low90 Ų90120.6 Ų120.674%0.74470%0.697SS**  trans-59126.8168.900000109.7D465A463-D465 PolarHBondContact O-N 2.87Å; A463-D465 VanDerWaalsContact O-N 3.17Å
464M25.6Very low39.9Very low168 Ų168114.3 Ų114.383%0.82866%0.659SS**  trans-73.9101.4172-76.5-175.8159.600109.1I462I462-M464 PolarHBondContact O-N 3.46Å
465D23.2Very low42.9Very low146 Ų146105.5 Ų105.578%0.78162%0.618SS**  trans-87.6124.8163.5-148.5-5.5000108.7A463 S467A463-D465 PolarHBondContact O-N 2.87Å; A463-D465 VanDerWaalsContact O-N 3.17Å; D465-S467 PolarHBondContact O-N 3.06Å
466H25.9Very low45.8Very low185 Ų18598.3 Ų98.386%0.85658%0.58SS**  trans-82.232.5-168.8-97.6-67.4000113.7
467S25.8Very low49Very low80 Ų8091.1 Ų91.156%0.55954%0.54SS*.SBendtrans-114.6120.7179.260.30000111.7D465D465-S467 PolarHBondContact O-N 3.06Å
468V36.3Very low52Low133 Ų13387 Ų8781%0.80651%0.506SS*.  trans6890.5174.9-164.70000113.7S470V468-S470 PolarHBondContact O-N 3.02Å
469V40.9Very low55.1Low136 Ų13681.5 Ų81.582%0.82447%0.47SS*.  trans-65.889.9161.6179.50000106.8S471V469-S471 PolarHBondContact O-N 2.7Å
470S56.2Low58.3Low85 Ų8573.5 Ų73.559%0.59444%0.436SS*.  trans-53.7114.7174.4-173.20000108.1V468V468-S470 PolarHBondContact O-N 3.02Å
471S66Low61.5Low35 Ų3568.1 Ų68.125%0.24540%0.404CS..PPolyproline II helixtrans-56.5134.3175.5-42.20000108H392 V469H392-S471 PolarHBondContact CD2-O 3.23Å; H392-S471 WeakPolarHBondContact O-CB 3.46Å; H392-S471 PolarHBondContact O-OG 3.4Å; V469-S471 PolarHBondContact O-N 2.7Å
472P80.9Confident64.8Low33 Ų3362.6 Ų62.621%0.21437%0.365CS..PPolyproline II helixtrans-64.3153.9179.429.5-34.5000110.1V395 T476 F477V395-P472 WeakPolarHBondContact CG1-O 3.38Å; P472-T476 HydrophobicContact CB-CG2 4.01Å; P472-F477 HydrophobicContact CG-CB 4.48Å
473D89.1Confident67.8Low16 Ų1656.5 Ų56.59%0.08634%0.335CS..PPolyproline II helixtrans-60.5162.5169.164.891.3000111.5A475 T476 F477D473-A475 VanDerWaalsContact C-N 3.28Å; D473-A475 PolarHBondContact O-N 2.77Å; D473-A475 WeakPolarHBondContact OD1-CA 3.45Å; D473-A475 WeakPolarHBondContact OD1-CB 3.28Å; D473-A475 PolarHBondContact OD1-N 3.19Å; D473-T476 VanDerWaalsContact CG-OG1 3.25Å; D473-T476 PolarHBondContact O-N 2.84Å; D473-T476 PolarHBondContact OD1-N 3.44Å; D473-T476 PolarHBondContact OD1-OG1 2.87Å; D473-T476 WeakPolarHBondContact OD2-CB 3.45Å; D473-T476 PolarHBondContact OD2-OG1 3.34Å; D473-F477 WeakPolarHBondContact O-CB 3.44Å; D473-F477 PolarHBondContact O-N 2.95Å
474L92.9Very high71Confident0 Ų057.8 Ų57.80%032%0.324CS..Hα-helixtrans-59.8-39-17717961.6000112.1L381 V395 L398 L413 A416 L417 E420 F477 L478L381-L474 HydrophobicContact CD1-CD1 4.36Å; L381-L474 HydrophobicContact CD1-CD2 4.41Å; V395-L474 HydrophobicContact CG2-CB 3.88Å; V395-L474 HydrophobicContact CG2-CD1 4.2Å; L398-L474 HydrophobicContact CD1-CD1 4.34Å; L413-L474 HydrophobicContact CD2-CD1 4.29Å; A416-L474 HydrophobicContact CB-CD2 3.79Å; L417-L474 HydrophobicContact CD2-CB 4.35Å; L417-L474 HydrophobicContact CD2-CD2 4.02Å; L417-L474 HydrophobicContact CD2-CG 3.94Å; L417-L474 HydrophobicContact CG-CD2 4.32Å; E420-L474 HydrophobicContact CG-CB 4.24Å; E420-L474 VanDerWaalsContact OE1-CB 3.27Å; E420-L474 WeakPolarHBondContact OE1-CB 3.25Å; L474-F477 HydrophobicContact CD1-CD1 4.4Å; L474-F477 PolarHBondContact O-N 3.2Å; L474-L478 HydrophobicContact CD1-CD1 4.15Å; L474-L478 HydrophobicContact CD1-CG 4.1Å; L474-L478 HydrophobicContact CG-CD1 4.12Å; L474-L478 HydrophobicContact CG-CG 4.46Å; L474-L478 VanDerWaalsContact O-CG 3.31Å; L474-L478 WeakPolarHBondContact O-CG 3.41Å; L474-L478 PolarHBondContact O-N 2.86Å
475A92.4Very high74.3Confident0 Ų051.9 Ų51.90%030%0.296CS..Hα-helixtrans-64-50.6-179.800000111.2L417 I425 D473 F477 L478 I479 M531L417-A475 HydrophobicContact CD2-CB 3.94Å; I425-A475 HydrophobicContact CG1-CB 4.4Å; I425-A475 HydrophobicContact CG2-CB 4.34Å; D473-A475 VanDerWaalsContact C-N 3.28Å; D473-A475 PolarHBondContact O-N 2.77Å; D473-A475 WeakPolarHBondContact OD1-CA 3.45Å; D473-A475 WeakPolarHBondContact OD1-CB 3.28Å; D473-A475 PolarHBondContact OD1-N 3.19Å; A475-F477 VanDerWaalsContact C-N 3.3Å; A475-F477 PolarHBondContact O-N 3.44Å; A475-L478 PolarHBondContact O-N 2.94Å; A475-I479 WeakPolarHBondContact O-CD1 3.34Å; A475-I479 VanDerWaalsContact O-CG1 3.31Å; A475-I479 WeakPolarHBondContact O-CG1 3.19Å; A475-I479 PolarHBondContact O-N 2.69Å; A475-M531 HydrophobicContact CB-CE 3.78Å; A475-M531 HydrophobicContact CB-SD 3.25Å; A475-M531 WeakPolarHBondContact CB-SD 3.18Å
476T91.9Very high77.6Confident10 Ų1047.7 Ų47.76%0.06128%0.276CS..Hα-helixtrans-61.3-38.9177.4-59.50000111.5P472 D473 S480 R534P472-T476 HydrophobicContact CB-CG2 4.01Å; D473-T476 VanDerWaalsContact CG-OG1 3.25Å; D473-T476 PolarHBondContact O-N 2.84Å; D473-T476 PolarHBondContact OD1-N 3.44Å; D473-T476 PolarHBondContact OD1-OG1 2.87Å; D473-T476 WeakPolarHBondContact OD2-CB 3.45Å; D473-T476 PolarHBondContact OD2-OG1 3.34Å; T476-S480 VanDerWaalsContact O-CB 3.26Å; T476-S480 WeakPolarHBondContact O-CB 3.23Å; T476-S480 PolarHBondContact O-N 2.72Å; T476-R534 PolarHBondContact OG1-NH2 2.98Å
477F93.3Very high80.9Confident16 Ų1640.1 Ų40.17%0.0725%0.245CC..Hα-helixtrans-61.9-51.3175.1170.5-116.2000112.7V395 L398 K399 L406 P472 D473 L474 A475 I479 S480 A481V395-F477 HydrophobicContact CG1-CB 3.52Å; V395-F477 HydrophobicContact CG1-CD1 4.01Å; V395-F477 HydrophobicContact CG1-CD2 4.38Å; V395-F477 HydrophobicContact CG1-CG 3.72Å; L398-F477 HydrophobicContact CB-CE1 3.83Å; L398-F477 HydrophobicContact CB-CZ 4.13Å; L398-F477 HydrophobicContact CD1-CE1 4.47Å; K399-F477 HydrophobicContact CB-CE2 4.26Å; K399-F477 HydrophobicContact CG-CD2 3.74Å; K399-F477 HydrophobicContact CG-CE2 3.5Å; K399-F477 HydrophobicContact CG-CZ 4.31Å; L406-F477 HydrophobicContact CD1-CE1 4.12Å; L406-F477 HydrophobicContact CD1-CZ 3.65Å; L406-F477 HydrophobicContact CD2-CE1 3.82Å; L406-F477 HydrophobicContact CD2-CZ 4.07Å; L406-F477 HydrophobicContact CG-CE1 4.43Å; L406-F477 HydrophobicContact CG-CZ 4.42Å; P472-F477 HydrophobicContact CG-CB 4.48Å; D473-F477 WeakPolarHBondContact O-CB 3.44Å; D473-F477 PolarHBondContact O-N 2.95Å; L474-F477 HydrophobicContact CD1-CD1 4.4Å; L474-F477 PolarHBondContact O-N 3.2Å; A475-F477 VanDerWaalsContact C-N 3.3Å; A475-F477 PolarHBondContact O-N 3.44Å; F477-I479 VanDerWaalsContact C-N 3.34Å; F477-I479 PolarHBondContact O-N 3.19Å; F477-S480 PolarHBondContact O-N 3.24Å; F477-A481 WeakPolarHBondContact O-CB 3.17Å; F477-A481 PolarHBondContact O-N 2.8Å
478L94.5Very high84.3Confident3 Ų336.5 Ų36.52%0.01622%0.219CC..Hα-helixtrans-62.2-41-179.6-70.6176.6000112L406 L410 L413 L417 L474 A475 A481 A482 L492L406-L478 HydrophobicContact CD2-CD2 4.1Å; L410-L478 HydrophobicContact CD1-CD2 4.07Å; L413-L478 HydrophobicContact CB-CD1 4.32Å; L413-L478 HydrophobicContact CB-CD2 4.28Å; L413-L478 HydrophobicContact CD1-CD2 4.1Å; L417-L478 HydrophobicContact CD1-CD1 4.16Å; L417-L478 HydrophobicContact CD2-CD1 4.25Å; L417-L478 HydrophobicContact CG-CD1 4.35Å; L474-L478 HydrophobicContact CD1-CD1 4.15Å; L474-L478 HydrophobicContact CD1-CG 4.1Å; L474-L478 HydrophobicContact CG-CD1 4.12Å; L474-L478 HydrophobicContact CG-CG 4.46Å; L474-L478 VanDerWaalsContact O-CG 3.31Å; L474-L478 WeakPolarHBondContact O-CG 3.41Å; L474-L478 PolarHBondContact O-N 2.86Å; A475-L478 PolarHBondContact O-N 2.94Å; L478-A481 PolarHBondContact O-N 3.23Å; L478-A482 WeakPolarHBondContact O-CB 3.37Å; L478-A482 PolarHBondContact O-N 3.19Å; L478-L492 HydrophobicContact CB-CD2 4.26Å
479I93.4Very high87.1Confident2 Ų230.2 Ų30.21%0.0118%0.181CC..Hα-helixtrans-65.4-44.9177.2-69.5162.8000110.8A475 F477 A481 A482 C483 M531 R534 L535 A538A475-I479 WeakPolarHBondContact O-CD1 3.34Å; A475-I479 VanDerWaalsContact O-CG1 3.31Å; A475-I479 WeakPolarHBondContact O-CG1 3.19Å; A475-I479 PolarHBondContact O-N 2.69Å; F477-I479 VanDerWaalsContact C-N 3.34Å; F477-I479 PolarHBondContact O-N 3.19Å; I479-A481 VanDerWaalsContact C-N 3.33Å; I479-A481 PolarHBondContact O-N 3.49Å; I479-A482 PolarHBondContact O-N 3Å; I479-C483 PolarHBondContact O-N 2.71Å; I479-C483 PolarHBondContact O-SG 3.41Å; I479-M531 HydrophobicContact CD1-CE 4.04Å; I479-M531 HydrophobicContact CD1-SD 4.08Å; I479-M531 HydrophobicContact CG1-CE 4.08Å; I479-R534 HydrophobicContact CD1-CB 3.56Å; I479-L535 HydrophobicContact CG1-CB 4.48Å; I479-A538 HydrophobicContact CG2-CB 3.36Å
480S92.2Very high89.8Confident26 Ų2623.9 Ų23.918%0.18214%0.143CC..Hα-helixtrans-60.1-43.2175.5163.90000111.6T476 F477 C483 K484T476-S480 VanDerWaalsContact O-CB 3.26Å; T476-S480 WeakPolarHBondContact O-CB 3.23Å; T476-S480 PolarHBondContact O-N 2.72Å; F477-S480 PolarHBondContact O-N 3.24Å; S480-C483 PolarHBondContact O-N 3.23Å; S480-K484 WeakPolarHBondContact O-CG 3.38Å; S480-K484 PolarHBondContact O-N 3.15Å
481A93Very high91.8Very high4 Ų421 Ų213%0.03312%0.119CC..Hα-helixtrans-63.5-45.117700000111.7Y403 F477 L478 I479 C483 K484 D485 L488Y403-A481 HydrophobicContact CE1-CB 4.44Å; F477-A481 WeakPolarHBondContact O-CB 3.17Å; F477-A481 PolarHBondContact O-N 2.8Å; L478-A481 PolarHBondContact O-N 3.23Å; I479-A481 VanDerWaalsContact C-N 3.33Å; I479-A481 PolarHBondContact O-N 3.49Å; A481-C483 VanDerWaalsContact C-N 3.28Å; A481-C483 PolarHBondContact O-N 2.8Å; A481-K484 PolarHBondContact O-N 3.01Å; A481-D485 PolarHBondContact O-N 3.17Å; A481-L488 HydrophobicContact CB-CD1 4.09Å
482A93.3Very high93.3Very high0 Ų019.5 Ų19.50%011%0.108CC..Hα-helixtrans-63-31.1174.800000113.1L478 I479 K484 A489 L492 L535L478-A482 WeakPolarHBondContact O-CB 3.37Å; L478-A482 PolarHBondContact O-N 3.19Å; I479-A482 PolarHBondContact O-N 3Å; A482-K484 PolarHBondContact O-N 3.35Å; A482-A489 HydrophobicContact CB-CB 4.19Å; A482-A489 WeakPolarHBondContact O-CB 3.44Å; A482-L492 HydrophobicContact CB-CD2 3.75Å; A482-L535 HydrophobicContact CB-CD1 3.75Å
483C92.4Very high94.1Very high19 Ų1919.4 Ų19.413%0.12810%0.104CC..Hα-helixtrans-68.3-20.2173.9-69.80000113I479 S480 A481 R549I479-C483 PolarHBondContact O-N 2.71Å; I479-C483 PolarHBondContact O-SG 3.41Å; S480-C483 PolarHBondContact O-N 3.23Å; A481-C483 VanDerWaalsContact C-N 3.28Å; A481-C483 PolarHBondContact O-N 2.8Å; C483-R549 PolarHBondContact O-NH1 3.14Å
484K92.1Very high94.5Very high117 Ų11718.7 Ų18.751%0.50910%0.1SC..Hα-helixtrans-99-37.7-177.7-66.4175.7-176.1-178.10112.6Y403 S480 A481 A482 R549Y403-K484 HydrophobicContact CE2-CB 4.48Å; Y403-K484 WeakPolarHBondContact OH-CD 3.34Å; S480-K484 WeakPolarHBondContact O-CG 3.38Å; S480-K484 PolarHBondContact O-N 3.15Å; A481-K484 PolarHBondContact O-N 3.01Å; A482-K484 PolarHBondContact O-N 3.35Å; K484-R549 PolarHBondContact O-NH2 3.38Å
485D93.9Very high94.6Very high44 Ų4419.5 Ų19.524%0.23510%0.103CC..  trans-114134.3-175.9-177.2-99.7000113.6Y403 A481 A487 L488 A489Y403-D485 HydrophobicContact CD2-CB 3.8Å; Y403-D485 HydrophobicContact CE2-CB 4.17Å; Y403-D485 HydrophobicContact CG-CB 4.23Å; A481-D485 PolarHBondContact O-N 3.17Å; D485-A487 WeakPolarHBondContact OD1-CA 3.38Å; D485-A487 WeakPolarHBondContact OD1-CB 3.48Å; D485-A487 PolarHBondContact OD1-N 3Å; D485-L488 HydrophobicContact CB-CB 4.12Å; D485-L488 HydrophobicContact CB-CD1 4.02Å; D485-L488 HydrophobicContact CB-CG 4.22Å; D485-L488 PolarHBondContact OD1-N 3.23Å; D485-A489 WeakPolarHBondContact O-CB 3.35Å; D485-A489 PolarHBondContact O-N 2.95Å; D485-A489 VanDerWaalsContact O-N 3.12Å
486T93.8Very high94.7Very high58 Ų5819.5 Ų19.536%0.35610%0.103SC..Hα-helixtrans-74.1-36.6-175.3-57.30000112.4N490 R549T486-N490 WeakPolarHBondContact O-CB 3.41Å; T486-N490 PolarHBondContact O-N 3.43Å; T486-N490 VanDerWaalsContact O-N 3.11Å; T486-R549 PolarHBondContact OG1-NE 3.36Å
487A95.8Very high94.8Very high26 Ų2619.6 Ų19.622%0.21510%0.103CC..Hα-helixtrans-72.6-44.1-178.800000110.7L407 D485 A489 N490 Y491 P609L407-A487 HydrophobicContact CD1-CB 3.66Å; D485-A487 WeakPolarHBondContact OD1-CA 3.38Å; D485-A487 WeakPolarHBondContact OD1-CB 3.48Å; D485-A487 PolarHBondContact OD1-N 3Å; A487-A489 VanDerWaalsContact C-N 3.34Å; A487-A489 PolarHBondContact O-N 3.26Å; A487-N490 WeakPolarHBondContact O-CB 3.44Å; A487-N490 PolarHBondContact O-N 3.02Å; A487-Y491 HydrophobicContact CB-CE2 4.4Å; A487-Y491 WeakPolarHBondContact O-CD2 3.25Å; A487-Y491 PolarHBondContact O-N 2.99Å; A487-P609 HydrophobicContact CB-CG 3.9Å
488L95.7Very high94.9Very high3 Ų319 Ų192%0.01610%0.101CC..Hα-helixtrans-58.8-44173-72.7177.4000111.6Y403 L406 L407 L410 A481 D485 N490 L492Y403-L488 HydrophobicContact CD1-CD1 3.71Å; Y403-L488 HydrophobicContact CE1-CD1 4.49Å; Y403-L488 HydrophobicContact CG-CD1 3.87Å; L406-L488 HydrophobicContact CB-CD2 4.3Å; L407-L488 HydrophobicContact CB-CD2 3.93Å; L407-L488 HydrophobicContact CD1-CD2 4.27Å; L407-L488 HydrophobicContact CG-CD2 4.35Å; L410-L488 HydrophobicContact CD2-CD2 4.1Å; A481-L488 HydrophobicContact CB-CD1 4.09Å; D485-L488 HydrophobicContact CB-CB 4.12Å; D485-L488 HydrophobicContact CB-CD1 4.02Å; D485-L488 HydrophobicContact CB-CG 4.22Å; D485-L488 PolarHBondContact OD1-N 3.23Å; L488-N490 VanDerWaalsContact C-N 3.33Å; L488-N490 PolarHBondContact O-N 3.34Å; L488-L492 WeakPolarHBondContact O-CB 3.5Å; L488-L492 PolarHBondContact O-N 3.03Å
489A96Very high94.7Very high1 Ų119.1 Ų19.11%0.00810%0.101CC..Hα-helixtrans-58.5-44.7175.400000112.8A482 D485 A487 Y493A482-A489 HydrophobicContact CB-CB 4.19Å; A482-A489 WeakPolarHBondContact O-CB 3.44Å; D485-A489 WeakPolarHBondContact O-CB 3.35Å; D485-A489 PolarHBondContact O-N 2.95Å; D485-A489 VanDerWaalsContact O-N 3.12Å; A487-A489 VanDerWaalsContact C-N 3.34Å; A487-A489 PolarHBondContact O-N 3.26Å; A489-Y493 VanDerWaalsContact O-CB 3.25Å; A489-Y493 WeakPolarHBondContact O-CB 3.21Å; A489-Y493 PolarHBondContact O-N 3.39Å; A489-Y493 VanDerWaalsContact O-N 3.11Å
490N97.5Very high94.5Very high3 Ų322.7 Ų22.72%0.01611%0.114CC..Hα-helixtrans-60.7-57.2178.6178.689.8000111.1T486 A487 L488 Y493 W494 L553 Q556 P606 P609T486-N490 WeakPolarHBondContact O-CB 3.41Å; T486-N490 PolarHBondContact O-N 3.43Å; T486-N490 VanDerWaalsContact O-N 3.11Å; A487-N490 WeakPolarHBondContact O-CB 3.44Å; A487-N490 PolarHBondContact O-N 3.02Å; L488-N490 VanDerWaalsContact C-N 3.33Å; L488-N490 PolarHBondContact O-N 3.34Å; N490-Y493 PolarHBondContact O-N 2.95Å; N490-W494 PolarHBondContact O-N 3.24Å; N490-W494 VanDerWaalsContact O-N 3.16Å; N490-L553 HydrophobicContact CB-CD2 4.49Å; N490-Q556 PolarHBondContact OD1-NE2 3.49Å; N490-Q556 PolarHBondContact OD1-OE1 3.12Å; N490-P606 PolarHBondContact ND2-O 3.27Å; N490-P609 HydrophobicContact CB-CB 4.01Å; N490-P609 HydrophobicContact CB-CG 4.12Å
491Y97.6Very high94.2Very high26 Ų2623.7 Ų23.710%0.10212%0.118CC..Hα-helixtrans-68.8-39.3-175.6-66.9-61.2000112.5L407 A487 Y493 W494 F495 L607 P609 L685L407-Y491 HydrophobicContact CD1-CD2 3.61Å; L407-Y491 HydrophobicContact CD1-CE2 3.86Å; L407-Y491 HydrophobicContact CD2-CD2 4.19Å; L407-Y491 HydrophobicContact CD2-CE2 4.14Å; L407-Y491 HydrophobicContact CG-CD2 3.97Å; L407-Y491 HydrophobicContact CG-CE2 4.34Å; A487-Y491 HydrophobicContact CB-CE2 4.4Å; A487-Y491 WeakPolarHBondContact O-CD2 3.25Å; A487-Y491 PolarHBondContact O-N 2.99Å; Y491-Y493 VanDerWaalsContact C-N 3.32Å; Y491-Y493 PolarHBondContact O-N 2.8Å; Y491-W494 PolarHBondContact O-N 3.43Å; Y491-F495 HydrophobicContact CD1-CE1 4.13Å; Y491-F495 HydrophobicContact CD1-CZ 4.15Å; Y491-F495 HydrophobicContact CG-CZ 4.27Å; Y491-F495 WeakPolarHBondContact O-CB 3.17Å; Y491-F495 WeakPolarHBondContact O-CD1 3.45Å; Y491-F495 WeakPolarHBondContact O-CG 3.4Å; Y491-F495 PolarHBondContact O-N 3.05Å; Y491-L607 PolarHBondContact OH-O 3.42Å; Y491-P609 HydrophobicContact CE2-CG 4.06Å; Y491-P609 WeakPolarHBondContact OH-CD 3.31Å; Y491-L685 HydrophobicContact CD1-CD1 4.1Å; Y491-L685 HydrophobicContact CE1-CD1 4.41Å
492L97.2Very high93.7Very high2 Ų223.7 Ų23.71%0.0112%0.117CC..Hα-helixtrans-59.5-44.9176.5179.662.9000111L410 V414 L478 A482 L488 F495 L496 L535L410-L492 HydrophobicContact CD1-CD1 4.19Å; L410-L492 HydrophobicContact CD2-CB 4.37Å; V414-L492 HydrophobicContact CG2-CD1 3.66Å; L478-L492 HydrophobicContact CB-CD2 4.26Å; A482-L492 HydrophobicContact CB-CD2 3.75Å; L488-L492 WeakPolarHBondContact O-CB 3.5Å; L488-L492 PolarHBondContact O-N 3.03Å; L492-F495 PolarHBondContact O-N 3.44Å; L492-L496 HydrophobicContact CD1-CD1 3.8Å; L492-L496 HydrophobicContact CD1-CG 3.95Å; L492-L496 HydrophobicContact CG-CD1 3.82Å; L492-L496 HydrophobicContact CG-CG 4.36Å; L492-L496 WeakPolarHBondContact O-CB 3.27Å; L492-L496 WeakPolarHBondContact O-CG 2.99Å; L492-L496 PolarHBondContact O-N 3.19Å; L492-L535 HydrophobicContact CD2-CD1 4.23Å; L492-L535 HydrophobicContact CD2-CD2 4.19Å; L492-L535 HydrophobicContact CG-CD2 4.25Å
493Y97.6Very high92.2Very high31 Ų3125.1 Ų25.112%0.12213%0.127CC..Hα-helixtrans-58.9-49.6177.1171.1-91.9000111.9A489 N490 Y491 K497 L532 L553 Q557A489-Y493 VanDerWaalsContact O-CB 3.25Å; A489-Y493 WeakPolarHBondContact O-CB 3.21Å; A489-Y493 PolarHBondContact O-N 3.39Å; A489-Y493 VanDerWaalsContact O-N 3.11Å; N490-Y493 PolarHBondContact O-N 2.95Å; Y491-Y493 VanDerWaalsContact C-N 3.32Å; Y491-Y493 PolarHBondContact O-N 2.8Å; Y493-K497 HydrophobicContact CE1-CD 4.28Å; Y493-K497 VanDerWaalsContact O-CB 3.29Å; Y493-K497 WeakPolarHBondContact O-CB 3.08Å; Y493-K497 PolarHBondContact O-N 2.86Å; Y493-L532 HydrophobicContact CD2-CD2 3.91Å; Y493-L532 HydrophobicContact CE2-CD2 4.16Å; Y493-L553 HydrophobicContact CD1-CD2 4.27Å; Y493-L553 HydrophobicContact CD2-CD1 4.35Å; Y493-L553 HydrophobicContact CG-CD1 4.26Å; Y493-L553 HydrophobicContact CG-CD2 4.17Å; Y493-Q557 VanDerWaalsContact OH-CD 3.22Å; Y493-Q557 PolarHBondContact OH-OE1 3.44Å
494W97.4Very high90.2Very high1 Ų128.1 Ų28.10%0.00415%0.145CC..Hα-helixtrans-66.4-40.5-178.8-73.8111.9000112.2N490 Y491 K497 V498 Q556 V560 P606 L685 T687N490-W494 PolarHBondContact O-N 3.24Å; N490-W494 VanDerWaalsContact O-N 3.16Å; Y491-W494 PolarHBondContact O-N 3.43Å; W494-K497 HydrophobicContact CE3-CD 3.97Å; W494-K497 HydrophobicContact CZ3-CD 3.81Å; W494-K497 PolarHBondContact O-N 2.93Å; W494-V498 VanDerWaalsContact O-CG2 3.23Å; W494-V498 WeakPolarHBondContact O-CG2 3.14Å; W494-V498 PolarHBondContact O-N 3.27Å; W494-Q556 HydrophobicContact CZ2-CB 4.17Å; W494-V560 HydrophobicContact CH2-CB 3.86Å; W494-V560 HydrophobicContact CH2-CG1 4.25Å; W494-V560 HydrophobicContact CH2-CG2 3.5Å; W494-V560 HydrophobicContact CZ2-CG2 3.85Å; W494-V560 HydrophobicContact CZ3-CG2 4.42Å; W494-P606 HydrophobicContact CZ2-CB 3.96Å; W494-P606 HydrophobicContact CZ2-CG 3.95Å; W494-L685 HydrophobicContact CB-CD1 3.98Å; W494-L685 HydrophobicContact CB-CD2 4.4Å; W494-L685 HydrophobicContact CG-CD1 4.49Å; W494-L685 HydrophobicContact CG-CD2 4.04Å; W494-T687 HydrophobicContact CD2-CG2 4.25Å; W494-T687 HydrophobicContact CE3-CG2 3.81Å; W494-T687 HydrophobicContact CH2-CG2 4.28Å; W494-T687 HydrophobicContact CZ3-CG2 3.83Å
495F95.8Very high87.8Confident17 Ų1726 Ų268%0.07515%0.145CC..Hα-helixtrans-65.8-46.6179.5-62.3-1.7000111L410 L411 V414 Y491 L492 K497 V498 E499 Q657 L685L410-F495 HydrophobicContact CB-CD2 4.47Å; L410-F495 HydrophobicContact CB-CE2 4.03Å; L410-F495 HydrophobicContact CD2-CD2 4.13Å; L410-F495 HydrophobicContact CD2-CE2 3.89Å; L410-F495 HydrophobicContact CG-CD2 3.91Å; L410-F495 HydrophobicContact CG-CE2 3.85Å; L411-F495 HydrophobicContact CB-CD2 4.3Å; L411-F495 HydrophobicContact CB-CE2 4.08Å; L411-F495 HydrophobicContact CD1-CD2 4.08Å; L411-F495 HydrophobicContact CD1-CE2 4.41Å; L411-F495 HydrophobicContact CD1-CG 4.22Å; V414-F495 HydrophobicContact CG1-CB 4.38Å; V414-F495 HydrophobicContact CG2-CB 4.12Å; V414-F495 HydrophobicContact CG2-CD2 4.38Å; Y491-F495 HydrophobicContact CD1-CE1 4.13Å; Y491-F495 HydrophobicContact CD1-CZ 4.15Å; Y491-F495 HydrophobicContact CG-CZ 4.27Å; Y491-F495 WeakPolarHBondContact O-CB 3.17Å; Y491-F495 WeakPolarHBondContact O-CD1 3.45Å; Y491-F495 WeakPolarHBondContact O-CG 3.4Å; Y491-F495 PolarHBondContact O-N 3.05Å; L492-F495 PolarHBondContact O-N 3.44Å; F495-K497 VanDerWaalsContact C-N 3.33Å; F495-K497 PolarHBondContact O-N 3.21Å; F495-V498 PolarHBondContact O-N 3.42Å; F495-E499 WeakPolarHBondContact O-CG 3.09Å; F495-E499 PolarHBondContact O-N 3.2Å; F495-Q657 VanDerWaalsContact CZ-NE2 3.27Å; F495-L685 HydrophobicContact CD1-CD1 4.3Å; F495-L685 HydrophobicContact CE1-CD1 3.76Å
496L94.9Very high85.3Confident0 Ų028.1 Ų28.10%016%0.162CC..Hα-helixtrans-62.4-40.3176.2-68.5171.4000112V414 L417 L492 R500 Y528 M531 L532 L535V414-L496 HydrophobicContact CG1-CD2 4.02Å; L417-L496 HydrophobicContact CD1-CD2 4.1Å; L492-L496 HydrophobicContact CD1-CD1 3.8Å; L492-L496 HydrophobicContact CD1-CG 3.95Å; L492-L496 HydrophobicContact CG-CD1 3.82Å; L492-L496 HydrophobicContact CG-CG 4.36Å; L492-L496 WeakPolarHBondContact O-CB 3.27Å; L492-L496 WeakPolarHBondContact O-CG 2.99Å; L492-L496 PolarHBondContact O-N 3.19Å; L496-R500 VanDerWaalsContact O-CB 3.31Å; L496-R500 WeakPolarHBondContact O-CB 3.04Å; L496-R500 PolarHBondContact O-N 3.45Å; L496-Y528 HydrophobicContact CD2-CD1 3.89Å; L496-M531 HydrophobicContact CD1-CB 4Å; L496-M531 HydrophobicContact CD2-CB 3.85Å; L496-M531 HydrophobicContact CD2-CG 4.49Å; L496-L532 HydrophobicContact CB-CD1 4.21Å; L496-L532 HydrophobicContact CB-CD2 3.79Å; L496-L532 HydrophobicContact CB-CG 3.71Å; L496-L532 HydrophobicContact CD1-CD2 4.36Å; L496-L532 HydrophobicContact CD1-CG 4.36Å; L496-L535 HydrophobicContact CD1-CD2 4.39Å
497K94.3Very high82.5Confident13 Ų1330.7 Ų30.76%0.05718%0.178CC..Hα-helixtrans-60.5-48.1177.2-177.7-171.7170.5-610111.1Y493 W494 F495 R500 D501 T687Y493-K497 HydrophobicContact CE1-CD 4.28Å; Y493-K497 VanDerWaalsContact O-CB 3.29Å; Y493-K497 WeakPolarHBondContact O-CB 3.08Å; Y493-K497 PolarHBondContact O-N 2.86Å; W494-K497 HydrophobicContact CE3-CD 3.97Å; W494-K497 HydrophobicContact CZ3-CD 3.81Å; W494-K497 PolarHBondContact O-N 2.93Å; F495-K497 VanDerWaalsContact C-N 3.33Å; F495-K497 PolarHBondContact O-N 3.21Å; K497-R500 PolarHBondContact O-N 3Å; K497-D501 IonicContact NZ-OD2 2.79Å; K497-D501 PolarHBondContact NZ-OD2 3.42Å; K497-D501 WeakPolarHBondContact O-CB 3.35Å; K497-D501 PolarHBondContact O-N 3.34Å; K497-T687 PolarHBondContact NZ-O 3.12Å; K497-T687 VanDerWaalsContact NZ-O 3.07Å
498V93.5Very high79.6Confident4 Ų437 Ų372%0.02421%0.207CC..Hα-helixtrans-61.9-46.9-179.5171.60000111.1W494 F495 D501 C502 R654 S686W494-V498 VanDerWaalsContact O-CG2 3.23Å; W494-V498 WeakPolarHBondContact O-CG2 3.14Å; W494-V498 PolarHBondContact O-N 3.27Å; F495-V498 PolarHBondContact O-N 3.42Å; V498-D501 PolarHBondContact O-N 3.03Å; V498-C502 WeakPolarHBondContact O-CB 3.46Å; V498-C502 PolarHBondContact O-N 3.35Å; V498-R654 HydrophobicContact CG1-CG 4.1Å; V498-S686 WeakPolarHBondContact CG2-O 3.24Å
499E90.5Very high76.8Confident4 Ų445 Ų452%0.01925%0.245CC..Hα-helixtrans-67.9-36.8-178.5-69.2-60.3131.200113.1V414 Q415 F495 C502 S503 Y528 R654V414-E499 HydrophobicContact CG1-CG 4.44Å; Q415-E499 PolarHBondContact NE2-OE1 3.01Å; Q415-E499 PolarHBondContact NE2-OE2 3.36Å; F495-E499 WeakPolarHBondContact O-CG 3.09Å; F495-E499 PolarHBondContact O-N 3.2Å; E499-C502 PolarHBondContact O-N 2.87Å; E499-S503 PolarHBondContact O-N 3.5Å; E499-S503 PolarHBondContact O-OG 3.29Å; E499-S503 VanDerWaalsContact O-OG 3.13Å; E499-Y528 HydrophobicContact CB-CD1 4.34Å; E499-Y528 HydrophobicContact CB-CD2 3.68Å; E499-Y528 HydrophobicContact CB-CE1 4.35Å; E499-Y528 HydrophobicContact CB-CE2 3.67Å; E499-Y528 HydrophobicContact CB-CG 4.03Å; E499-Y528 HydrophobicContact CG-CE2 4.5Å; E499-R654 IonicContact OE1-NH1 3.87Å
500R90.2Very high74Confident77 Ų7752.2 Ų52.229%0.29128%0.276SS..Hα-helixtrans-60.2-46.1170.7-177.9-157.265.8-168.6-1.4111.4L496 K497 K525 A529 L532L496-R500 VanDerWaalsContact O-CB 3.31Å; L496-R500 WeakPolarHBondContact O-CB 3.04Å; L496-R500 PolarHBondContact O-N 3.45Å; K497-R500 PolarHBondContact O-N 3Å; R500-K525 HydrophobicContact CG-CG 4.4Å; R500-A529 HydrophobicContact CG-CB 4.39Å; R500-L532 HydrophobicContact CB-CD1 4.24Å
501D86.2Confident70.7Confident47 Ų4758.8 Ų58.825%0.25132%0.316SS..Hα-helixtrans-71.2-33.8-177-65.9-12.3000111.3K497 V498 S503 V504K497-D501 IonicContact NZ-OD2 2.79Å; K497-D501 PolarHBondContact NZ-OD2 3.42Å; K497-D501 WeakPolarHBondContact O-CB 3.35Å; K497-D501 PolarHBondContact O-N 3.34Å; V498-D501 PolarHBondContact O-N 3.03Å; D501-S503 PolarHBondContact O-N 2.95Å; D501-V504 WeakPolarHBondContact O-CG2 3.4Å
502C81Confident67.6Low4 Ų462.1 Ų62.13%0.02735%0.349CS..Hα-helixtrans-66.1-34.6178.7-170.30000113.4V498 E499 V504 S505 R654 I689 T839V498-C502 WeakPolarHBondContact O-CB 3.46Å; V498-C502 PolarHBondContact O-N 3.35Å; E499-C502 PolarHBondContact O-N 2.87Å; C502-V504 PolarHBondContact O-N 3Å; C502-S505 PolarHBondContact O-N 3.43Å; C502-S505 PolarHBondContact O-OG 3.32Å; C502-R654 PolarHBondContact SG-NH1 3.2Å; C502-R654 VanDerWaalsContact SG-NH1 3.41Å; C502-I689 HydrophobicContact CB-CG2 3.47Å; C502-I689 VanDerWaalsContact CB-CG2 3.47Å; C502-T839 PolarHBondContact SG-OG1 3.44Å
503S62.2Low64.5Low30 Ų3067 Ų6721%0.2138%0.383CS..THydrogen-bonded Turntrans-65.1-0.6-175.4-62.10000114.1E499 D501E499-S503 PolarHBondContact O-N 3.5Å; E499-S503 PolarHBondContact O-OG 3.29Å; E499-S503 VanDerWaalsContact O-OG 3.13Å; D501-S503 PolarHBondContact O-N 2.95Å
504V50.5Low61.3Low83 Ų8377.1 Ų77.150%0.50342%0.421SS..THydrogen-bonded Turntrans-84.5-25.8177.7-172.40000112.6D501 C502 T507 K525D501-V504 WeakPolarHBondContact O-CG2 3.4Å; C502-V504 PolarHBondContact O-N 3Å; V504-T507 PolarHBondContact O-OG1 2.87Å; V504-K525 HydrophobicContact CG2-CD 4.36Å
505S41.5Very low58Low72 Ų7282.7 Ų82.750%0.50346%0.456SS..THydrogen-bonded Turntrans-85.2-14-174.344.10000115.2C502 T507C502-S505 PolarHBondContact O-N 3.43Å; C502-S505 PolarHBondContact O-OG 3.32Å; S505-T507 VanDerWaalsContact C-N 3.35Å; S505-T507 PolarHBondContact O-N 3.22Å
506C41.3Very low54.9Low89 Ų8991.2 Ų91.260%0.60150%0.495SS*.THydrogen-bonded Turntrans-88.218-179.2-74.90000115.6L508C506-L508 PolarHBondContact O-N 3.47Å
507T35.4Very low51.8Low111 Ų11194.7 Ų94.768%0.68153%0.531SS*.THydrogen-bonded Turntrans-7514.3-180-34.80000113.9V504 S505V504-T507 PolarHBondContact O-OG1 2.87Å; S505-T507 VanDerWaalsContact C-N 3.35Å; S505-T507 PolarHBondContact O-N 3.22Å
508L35.6Very low48.5Very low158 Ų158106.9 Ų106.983%0.82758%0.577SS**THydrogen-bonded Turntrans-105.11.4-178.8-86.7155.4000115.3C506C506-L508 PolarHBondContact O-N 3.47Å
509Q36.9Very low45.5Very low172 Ų172109 Ų10980%0.80460%0.6SS**SBendtrans-113.37.8177.8-81.2-179.1-5.900115.5T511Q509-T511 PolarHBondContact O-N 3.4Å; Q509-T511 VanDerWaalsContact O-N 3.14Å
510K36.2Very low42.9Very low153 Ų153116.6 Ų116.667%0.66564%0.64SS**THydrogen-bonded Turntrans-80.621.6179.6-87.9-173176-178.30115.6
511T29.2Very low40.7Very low141 Ų141118.9 Ų118.987%0.86566%0.663SS**THydrogen-bonded Turntrans-100.12.6177.848.50000115.3Q509Q509-T511 PolarHBondContact O-N 3.4Å; Q509-T511 VanDerWaalsContact O-N 3.14Å
512A32.6Very low39.3Very low96 Ų96118.5 Ų118.579%0.79366%0.662SS**SBendtrans-117.21.4-173.800000117.6
513S32.7Very low38.9Very low104 Ų104120.9 Ų120.973%0.72768%0.677SS**  trans-137.672.4178.754.90000112.8
514R29.2Very low39.7Very low243 Ų243122.7 Ų122.792%0.91768%0.684SS**  trans-106.143.6169.2-89.2-172.2174.1176.3-0.6112.1
515T29.2Very low41.3Very low119 Ų119122.8 Ų122.873%0.7368%0.678SS**SBendtrans-149.681.617150.90000109.6
516H30.8Very low43.4Very low195 Ų195123.9 Ų123.990%0.90368%0.675SS**SBendtrans164.8131.3143.5-82-17.8000110.4
517G28.6Very low45.7Very low73 Ų73120.1 Ų120.175%0.75365%0.649SS**  trans66.1109157.900000117.4G519G517-G519 PolarHBondContact O-N 3.08Å
518R26.3Very low48.4Very low270 Ų270115 Ų115100%1.01962%0.617SS**  trans-7259.6162.9-160.1-179.3-167.8-179.12.5109.9
519G29.2Very low51Low49 Ų49109.4 Ų109.451%0.50559%0.594SS.*  trans-97.9137.5171.500000109.6G517 T521G517-G519 PolarHBondContact O-N 3.08Å; G519-T521 PolarHBondContact O-N 3.19Å
520N35.5Very low53.6Low163 Ų163103.2 Ų103.287%0.87257%0.566SS**  trans-62.388-175.4-147.119.9000110.2T522N520-T522 VanDerWaalsContact C-N 3.28Å; N520-T522 PolarHBondContact O-N 3.05Å
521T44.3Very low56.3Low124 Ų12496 Ų9676%0.76153%0.534SS*.  trans-82.779.317837.90000108.9G519 T523G519-T521 PolarHBondContact O-N 3.19Å; T521-T523 PolarHBondContact O-N 3.45Å
522T56.4Low59.4Low40 Ų4090.1 Ų90.125%0.24550%0.498CS..  trans-49.5130.1168.4-590000109.2I422 N520 E526 I527I422-T522 HydrophobicContact CD1-CG2 3.35Å; I422-T522 HydrophobicContact CG1-CG2 4.15Å; N520-T522 VanDerWaalsContact C-N 3.28Å; N520-T522 PolarHBondContact O-N 3.05Å; T522-E526 WeakPolarHBondContact CA-OE2 3.5Å; T522-E526 HydrophobicContact CG2-CB 3.92Å; T522-E526 VanDerWaalsContact CG2-OE2 3.24Å; T522-E526 WeakPolarHBondContact CG2-OE2 3.15Å; T522-I527 HydrophobicContact CG2-CG1 4.23Å
523T72.3Confident62.2Low53 Ų5391.1 Ų91.133%0.32549%0.486SS..  trans-83.4142.7-179.759.90000109.7T521 K525 E526T521-T523 PolarHBondContact O-N 3.45Å; T523-K525 PolarHBondContact O-N 3.37Å; T523-E526 PolarHBondContact N-OE2 2.98Å; T523-E526 WeakPolarHBondContact O-CB 3.47Å; T523-E526 PolarHBondContact O-N 2.85Å; T523-E526 PolarHBondContact OG1-OE2 3.18Å
524N80.4Confident65.1Low69 Ų6986.4 Ų86.437%0.36945%0.452SS..Hα-helixtrans-48.1-31.1176.1-65.2-9.9000112.8E526 I527 Y528N524-E526 VanDerWaalsContact C-N 3.33Å; N524-E526 PolarHBondContact O-N 3.07Å; N524-I527 PolarHBondContact O-N 3.13Å; N524-Y528 HydrophobicContact CB-CE2 4.06Å; N524-Y528 WeakPolarHBondContact O-CD2 3.27Å; N524-Y528 PolarHBondContact O-N 3.48Å
525K83.1Confident68.1Low85 Ų8575 Ų7537%0.3741%0.409SS..Hα-helixtrans-54.9-43.9173.9-166.2178.2177.2-170.20113.5R500 V504 T523 A529R500-K525 HydrophobicContact CG-CG 4.4Å; V504-K525 HydrophobicContact CG2-CD 4.36Å; T523-K525 PolarHBondContact O-N 3.37Å; K525-A529 WeakPolarHBondContact O-CB 3.5Å; K525-A529 PolarHBondContact O-N 3.07Å
526E86.4Confident71.2Confident95 Ų9571.4 Ų71.444%0.44439%0.389SS..Hα-helixtrans-67-42.2-177.8-70.8164.1159.400110.2T522 T523 N524 Y528 A529 I530T522-E526 WeakPolarHBondContact CA-OE2 3.5Å; T522-E526 HydrophobicContact CG2-CB 3.92Å; T522-E526 VanDerWaalsContact CG2-OE2 3.24Å; T522-E526 WeakPolarHBondContact CG2-OE2 3.15Å; T523-E526 PolarHBondContact N-OE2 2.98Å; T523-E526 WeakPolarHBondContact O-CB 3.47Å; T523-E526 PolarHBondContact O-N 2.85Å; T523-E526 PolarHBondContact OG1-OE2 3.18Å; N524-E526 VanDerWaalsContact C-N 3.33Å; N524-E526 PolarHBondContact O-N 3.07Å; E526-Y528 PolarHBondContact O-N 3.45Å; E526-A529 PolarHBondContact O-N 3.25Å; E526-I530 VanDerWaalsContact O-CG1 3.25Å; E526-I530 WeakPolarHBondContact O-CG1 3.35Å; E526-I530 PolarHBondContact O-N 2.9Å
527I88.6Confident74.1Confident10 Ų1066.3 Ų66.35%0.05136%0.362CS..Hα-helixtrans-56.3-50.9176.1-66.5170.4000110.7L417 I425 T522 N524 A529 I530 M531L417-I527 HydrophobicContact CB-CG2 4.35Å; I425-I527 HydrophobicContact CD1-CG1 4.31Å; I425-I527 HydrophobicContact CD1-CG2 3.65Å; T522-I527 HydrophobicContact CG2-CG1 4.23Å; N524-I527 PolarHBondContact O-N 3.13Å; I527-A529 VanDerWaalsContact C-N 3.34Å; I527-A529 PolarHBondContact O-N 3.38Å; I527-I530 PolarHBondContact O-N 3.06Å; I527-M531 WeakPolarHBondContact O-CB 3.33Å; I527-M531 WeakPolarHBondContact O-CG 3.35Å; I527-M531 PolarHBondContact O-N 3.46Å
528Y92.2Very high77.1Confident3 Ų362.9 Ų62.91%0.01233%0.326CS..Hα-helixtrans-68.1-32.2179.9-58-52.6000113.2V414 L496 E499 N524 E526 M531 L532V414-Y528 HydrophobicContact CG1-CE1 4.13Å; L496-Y528 HydrophobicContact CD2-CD1 3.89Å; E499-Y528 HydrophobicContact CB-CD1 4.34Å; E499-Y528 HydrophobicContact CB-CD2 3.68Å; E499-Y528 HydrophobicContact CB-CE1 4.35Å; E499-Y528 HydrophobicContact CB-CE2 3.67Å; E499-Y528 HydrophobicContact CB-CG 4.03Å; E499-Y528 HydrophobicContact CG-CE2 4.5Å; N524-Y528 HydrophobicContact CB-CE2 4.06Å; N524-Y528 WeakPolarHBondContact O-CD2 3.27Å; N524-Y528 PolarHBondContact O-N 3.48Å; E526-Y528 PolarHBondContact O-N 3.45Å; Y528-M531 PolarHBondContact O-N 2.87Å; Y528-L532 PolarHBondContact O-N 3.06Å
529A91.6Very high80.2Confident41 Ų4150 Ų5034%0.33928%0.278SS..Hα-helixtrans-66.8-45.5174.500000111.8R500 K525 E526 I527 M531 L532 E533R500-A529 HydrophobicContact CG-CB 4.39Å; K525-A529 WeakPolarHBondContact O-CB 3.5Å; K525-A529 PolarHBondContact O-N 3.07Å; E526-A529 PolarHBondContact O-N 3.25Å; I527-A529 VanDerWaalsContact C-N 3.34Å; I527-A529 PolarHBondContact O-N 3.38Å; A529-M531 VanDerWaalsContact C-N 3.3Å; A529-M531 PolarHBondContact O-N 3.07Å; A529-L532 PolarHBondContact O-N 3.11Å; A529-E533 PolarHBondContact O-N 3.39Å
530I91.3Very high83.1Confident42 Ų4249.1 Ų49.122%0.21527%0.266CS..Hα-helixtrans-59-45174.6-67.6163.1000109.7I422 I425 E526 I527 L532 E533 R534I422-I530 HydrophobicContact CD1-CD1 4.22Å; I422-I530 HydrophobicContact CG1-CD1 4.3Å; I425-I530 HydrophobicContact CG2-CG2 3.99Å; E526-I530 VanDerWaalsContact O-CG1 3.25Å; E526-I530 WeakPolarHBondContact O-CG1 3.35Å; E526-I530 PolarHBondContact O-N 2.9Å; I527-I530 PolarHBondContact O-N 3.06Å; I530-L532 PolarHBondContact O-N 3.31Å; I530-E533 PolarHBondContact O-N 2.85Å; I530-R534 HydrophobicContact CG2-CG 4.38Å; I530-R534 WeakPolarHBondContact O-CG 3.44Å; I530-R534 PolarHBondContact O-N 3.3Å
531M92.7Very high85.6Confident0 Ų049.4 Ų49.40%025%0.254CS..Hα-helixtrans-60.5-43.4177.3-79.7-64.1-70.300113.5L417 I425 A475 I479 L496 I527 Y528 A529 E533 R534 L535L417-M531 HydrophobicContact CD1-CE 3.78Å; L417-M531 HydrophobicContact CD1-CG 4.17Å; L417-M531 HydrophobicContact CD2-CE 4.09Å; L417-M531 HydrophobicContact CD2-SD 4.42Å; I425-M531 HydrophobicContact CG2-CG 4.08Å; I425-M531 HydrophobicContact CG2-SD 4.03Å; A475-M531 HydrophobicContact CB-CE 3.78Å; A475-M531 HydrophobicContact CB-SD 3.25Å; A475-M531 WeakPolarHBondContact CB-SD 3.18Å; I479-M531 HydrophobicContact CD1-CE 4.04Å; I479-M531 HydrophobicContact CD1-SD 4.08Å; I479-M531 HydrophobicContact CG1-CE 4.08Å; L496-M531 HydrophobicContact CD1-CB 4Å; L496-M531 HydrophobicContact CD2-CB 3.85Å; L496-M531 HydrophobicContact CD2-CG 4.49Å; I527-M531 WeakPolarHBondContact O-CB 3.33Å; I527-M531 WeakPolarHBondContact O-CG 3.35Å; I527-M531 PolarHBondContact O-N 3.46Å; Y528-M531 PolarHBondContact O-N 2.87Å; A529-M531 VanDerWaalsContact C-N 3.3Å; A529-M531 PolarHBondContact O-N 3.07Å; M531-E533 VanDerWaalsContact C-N 3.33Å; M531-E533 PolarHBondContact O-N 3.29Å; M531-R534 PolarHBondContact O-N 3.37Å; M531-L535 VanDerWaalsContact O-CB 3.31Å; M531-L535 WeakPolarHBondContact O-CB 3.32Å; M531-L535 PolarHBondContact O-N 2.91Å
532L93.5Very high87.5Confident19 Ų1944.1 Ų44.110%0.09922%0.224CC..Hα-helixtrans-63.2-40.2175.1-82.4162.7000112.3Y493 L496 R500 Y528 A529 I530 S536Y493-L532 HydrophobicContact CD2-CD2 3.91Å; Y493-L532 HydrophobicContact CE2-CD2 4.16Å; L496-L532 HydrophobicContact CB-CD1 4.21Å; L496-L532 HydrophobicContact CB-CD2 3.79Å; L496-L532 HydrophobicContact CB-CG 3.71Å; L496-L532 HydrophobicContact CD1-CD2 4.36Å; L496-L532 HydrophobicContact CD1-CG 4.36Å; R500-L532 HydrophobicContact CB-CD1 4.24Å; Y528-L532 PolarHBondContact O-N 3.06Å; A529-L532 PolarHBondContact O-N 3.11Å; I530-L532 PolarHBondContact O-N 3.31Å; L532-S536 WeakPolarHBondContact O-CB 3.35Å; L532-S536 PolarHBondContact O-N 3.23Å
533E92.5Very high88.9Confident117 Ų11744.6 Ų44.655%0.54724%0.237SC..Hα-helixtrans-66.4-46.9177.8-165.7-174.5157.800111.1A529 I530 M531 S536 R537A529-E533 PolarHBondContact O-N 3.39Å; I530-E533 PolarHBondContact O-N 2.85Å; M531-E533 VanDerWaalsContact C-N 3.33Å; M531-E533 PolarHBondContact O-N 3.29Å; E533-S536 PolarHBondContact O-N 3.46Å; E533-R537 VanDerWaalsContact CD-NH2 3.31Å; E533-R537 WeakPolarHBondContact O-CB 3.28Å; E533-R537 PolarHBondContact O-N 3.02Å; E533-R537 IonicContact OE1-CZ 2.69Å; E533-R537 IonicContact OE1-NH2 2.68Å; E533-R537 PolarHBondContact OE1-NH2 3.17Å
534R92.4Very high89.8Confident5 Ų546.9 Ų46.92%0.01925%0.251CS..Hα-helixtrans-59-47.3175.1-75-172.761.1-166.2-1.5111.5I425 G428 D430 T476 I479 I530 M531 S536 R537 A538I425-R534 WeakPolarHBondContact O-CD 3.4Å; I425-R534 PolarHBondContact O-NH1 3.17Å; G428-R534 PolarHBondContact O-NH2 3.34Å; D430-R534 IonicContact OD1-CZ 3.98Å; D430-R534 IonicContact OD1-NE 3.76Å; D430-R534 PolarHBondContact OD1-NE 2.89Å; D430-R534 IonicContact OD1-NH2 3.79Å; D430-R534 PolarHBondContact OD1-NH2 2.94Å; T476-R534 PolarHBondContact OG1-NH2 2.98Å; I479-R534 HydrophobicContact CD1-CB 3.56Å; I530-R534 HydrophobicContact CG2-CG 4.38Å; I530-R534 WeakPolarHBondContact O-CG 3.44Å; I530-R534 PolarHBondContact O-N 3.3Å; M531-R534 PolarHBondContact O-N 3.37Å; R534-S536 VanDerWaalsContact C-N 3.34Å; R534-S536 PolarHBondContact O-N 3.2Å; R534-R537 PolarHBondContact O-N 3.38Å; R534-R537 VanDerWaalsContact O-N 3.15Å; R534-A538 WeakPolarHBondContact O-CB 3.45Å; R534-A538 PolarHBondContact O-N 3.39Å
535L93.7Very high90.4Very high3 Ų347.9 Ų47.92%0.01625%0.254CS..Hα-helixtrans-56.8-47.1175.5177.762.4000111.7I479 A482 L492 L496 M531 R537 A538 L539I479-L535 HydrophobicContact CG1-CB 4.48Å; A482-L535 HydrophobicContact CB-CD1 3.75Å; L492-L535 HydrophobicContact CD2-CD1 4.23Å; L492-L535 HydrophobicContact CD2-CD2 4.19Å; L492-L535 HydrophobicContact CG-CD2 4.25Å; L496-L535 HydrophobicContact CD1-CD2 4.39Å; M531-L535 VanDerWaalsContact O-CB 3.31Å; M531-L535 WeakPolarHBondContact O-CB 3.32Å; M531-L535 PolarHBondContact O-N 2.91Å; L535-R537 VanDerWaalsContact C-N 3.32Å; L535-R537 PolarHBondContact O-N 3.4Å; L535-A538 PolarHBondContact O-N 3.34Å; L535-L539 HydrophobicContact CD1-CD1 3.98Å; L535-L539 HydrophobicContact CD1-CG 4.18Å; L535-L539 HydrophobicContact CG-CD1 4.09Å; L535-L539 WeakPolarHBondContact O-CB 3.36Å; L535-L539 VanDerWaalsContact O-CG 3.3Å; L535-L539 WeakPolarHBondContact O-CG 3.25Å; L535-L539 PolarHBondContact O-N 3.42Å
536S93.1Very high90.8Very high43 Ų4344.2 Ų44.230%0.30124%0.239SC..Hα-helixtrans-62.3-39.8177.9-172.30000112L532 E533 R534 A540 R550L532-S536 WeakPolarHBondContact O-CB 3.35Å; L532-S536 PolarHBondContact O-N 3.23Å; E533-S536 PolarHBondContact O-N 3.46Å; R534-S536 VanDerWaalsContact C-N 3.34Å; R534-S536 PolarHBondContact O-N 3.2Å; S536-A540 VanDerWaalsContact O-CB 3.27Å; S536-A540 WeakPolarHBondContact O-CB 3.37Å; S536-A540 PolarHBondContact O-N 2.66Å; S536-R550 WeakPolarHBondContact O-CD 3.29Å; S536-R550 PolarHBondContact O-NE 3.03Å; S536-R550 PolarHBondContact OG-NE 3.01Å; S536-R550 VanDerWaalsContact OG-NE 3.08Å; S536-R550 PolarHBondContact OG-NH2 3.36Å
537R91.9Very high91.1Very high88 Ų8845.9 Ų45.933%0.33224%0.241SC..Hα-helixtrans-69.4-46179.1-165.6-174.4-58.7143-2.2111.7E533 R534 L535 A540 R541E533-R537 VanDerWaalsContact CD-NH2 3.31Å; E533-R537 WeakPolarHBondContact O-CB 3.28Å; E533-R537 PolarHBondContact O-N 3.02Å; E533-R537 IonicContact OE1-CZ 2.69Å; E533-R537 IonicContact OE1-NH2 2.68Å; E533-R537 PolarHBondContact OE1-NH2 3.17Å; R534-R537 PolarHBondContact O-N 3.38Å; R534-R537 VanDerWaalsContact O-N 3.15Å; L535-R537 VanDerWaalsContact C-N 3.32Å; L535-R537 PolarHBondContact O-N 3.4Å; R537-A540 WeakPolarHBondContact O-CB 3.49Å; R537-A540 PolarHBondContact O-N 3.41Å; R537-A540 VanDerWaalsContact O-N 3.14Å; R537-R541 WeakPolarHBondContact O-CB 3.49Å; R537-R541 WeakPolarHBondContact O-CG 3.39Å; R537-R541 PolarHBondContact O-N 3.27Å
538A91.3Very high91.3Very high1 Ų151.9 Ų51.91%0.00826%0.263CS..Hα-helixtrans-60.9-44.7176.100000111.3D430 I479 R534 L535 A540 R541 G542D430-A538 HydrophobicContact CB-CB 4.29Å; I479-A538 HydrophobicContact CG2-CB 3.36Å; R534-A538 WeakPolarHBondContact O-CB 3.45Å; R534-A538 PolarHBondContact O-N 3.39Å; L535-A538 PolarHBondContact O-N 3.34Å; A538-A540 VanDerWaalsContact C-N 3.3Å; A538-A540 PolarHBondContact O-N 3.4Å; A538-R541 PolarHBondContact O-N 2.72Å; A538-G542 PolarHBondContact O-N 3.15Å
539L91.7Very high91.3Very high1 Ų153.4 Ų53.41%0.00527%0.269CS..Hα-helixtrans-67.3-30174.9-68.1171.6000112.9L535 A546 R547 R549 R550 L553L535-L539 HydrophobicContact CD1-CD1 3.98Å; L535-L539 HydrophobicContact CD1-CG 4.18Å; L535-L539 HydrophobicContact CG-CD1 4.09Å; L535-L539 WeakPolarHBondContact O-CB 3.36Å; L535-L539 VanDerWaalsContact O-CG 3.3Å; L535-L539 WeakPolarHBondContact O-CG 3.25Å; L535-L539 PolarHBondContact O-N 3.42Å; L539-A546 HydrophobicContact CD2-CB 4.09Å; L539-A546 CarbonylContact O-C 3.56Å; L539-R547 WeakPolarHBondContact O-CA 3.03Å; L539-R547 WeakPolarHBondContact O-CG 3.27Å; L539-R547 PolarHBondContact O-N 3.37Å; L539-R547 VanDerWaalsContact O-N 3.16Å; L539-R549 HydrophobicContact CD2-CB 4.37Å; L539-R550 HydrophobicContact CB-CB 3.87Å; L539-R550 HydrophobicContact CB-CG 4.36Å; L539-R550 HydrophobicContact CD1-CB 4.49Å; L539-L553 HydrophobicContact CD1-CD1 3.81Å
540A90.3Very high91.5Very high30 Ų3056.8 Ų56.825%0.24827%0.273CS..Hα-helixtrans-71.8-37.3176.700000113S536 R537 A538 R547S536-A540 VanDerWaalsContact O-CB 3.27Å; S536-A540 WeakPolarHBondContact O-CB 3.37Å; S536-A540 PolarHBondContact O-N 2.66Å; R537-A540 WeakPolarHBondContact O-CB 3.49Å; R537-A540 PolarHBondContact O-N 3.41Å; R537-A540 VanDerWaalsContact O-N 3.14Å; A538-A540 VanDerWaalsContact C-N 3.3Å; A538-A540 PolarHBondContact O-N 3.4Å; A540-R547 WeakPolarHBondContact O-CD 3.45Å; A540-R547 VanDerWaalsContact O-CG 3.28Å; A540-R547 WeakPolarHBondContact O-CG 3.48Å
541R87.2Confident91.6Very high169 Ų16962 Ų6264%0.63829%0.294SS*.Hα-helixtrans-90.5-16-177.9-67.4179.7178.1179.6-2.6113.3R537 A538R537-R541 WeakPolarHBondContact O-CB 3.49Å; R537-R541 WeakPolarHBondContact O-CG 3.39Å; R537-R541 PolarHBondContact O-N 3.27Å; A538-R541 PolarHBondContact O-N 2.72Å
542G84.1Confident91.7Very high12 Ų1264 Ų6412%0.12431%0.305CS..SBendtrans-67.7-178.2174.900000113.5A538A538-G542 PolarHBondContact O-N 3.15Å
543G87.7Confident91.8Very high50 Ų5063.7 Ų63.752%0.51530%0.303SS..  trans-60.8-178.9178.800000114.6E545 A546 R547G543-E545 VanDerWaalsContact C-N 3.29Å; G543-E545 PolarHBondContact O-N 3.23Å; G543-A546 PolarHBondContact O-N 2.85Å; G543-A546 VanDerWaalsContact O-N 3.14Å; G543-R547 PolarHBondContact O-N 3.31Å
544T90.8Very high91.9Very high101 Ų10167 Ų6762%0.6231%0.31SS*.Hα-helixtrans-50.9-46.2178.946.60000112.7R547 R548T544-R547 PolarHBondContact O-N 3.1Å; T544-R548 WeakPolarHBondContact O-CB 3.29Å; T544-R548 PolarHBondContact O-N 3.47Å
545E92Very high92Very high91 Ų9172.6 Ų72.643%0.42534%0.335SS..Hα-helixtrans-66.3-39.2178.8-71.2-54.3129.600113.3G543 R548 R549G543-E545 VanDerWaalsContact C-N 3.29Å; G543-E545 PolarHBondContact O-N 3.23Å; E545-R548 WeakPolarHBondContact O-CB 3.39Å; E545-R548 PolarHBondContact O-N 3.44Å; E545-R548 IonicContact OE1-NH1 3.54Å; E545-R548 IonicContact OE2-NH1 2.84Å; E545-R549 WeakPolarHBondContact O-CG 3.02Å; E545-R549 PolarHBondContact O-N 2.9Å
546A91.3Very high92.1Very high7 Ų772.6 Ų72.66%0.05834%0.335CS..Hα-helixtrans-64.2-43.8176.200000111.3L539 G543 R548 R549 R550L539-A546 HydrophobicContact CD2-CB 4.09Å; L539-A546 CarbonylContact O-C 3.56Å; G543-A546 PolarHBondContact O-N 2.85Å; G543-A546 VanDerWaalsContact O-N 3.14Å; A546-R548 VanDerWaalsContact C-N 3.32Å; A546-R548 PolarHBondContact O-N 3.08Å; A546-R549 WeakPolarHBondContact O-CB 3.3Å; A546-R549 PolarHBondContact O-N 2.75Å; A546-R550 PolarHBondContact O-N 3.22Å
547R92.3Very high92.2Very high131 Ų13173.4 Ų73.449%0.49433%0.334SS..Hα-helixtrans-63.4-38175.1-71.8-173.3-73.4173.1-1.7111.9L539 A540 G543 T544 R550 K551L539-R547 WeakPolarHBondContact O-CA 3.03Å; L539-R547 WeakPolarHBondContact O-CG 3.27Å; L539-R547 PolarHBondContact O-N 3.37Å; L539-R547 VanDerWaalsContact O-N 3.16Å; A540-R547 WeakPolarHBondContact O-CD 3.45Å; A540-R547 VanDerWaalsContact O-CG 3.28Å; A540-R547 WeakPolarHBondContact O-CG 3.48Å; G543-R547 PolarHBondContact O-N 3.31Å; T544-R547 PolarHBondContact O-N 3.1Å; R547-R550 PolarHBondContact O-N 2.89Å; R547-K551 WeakPolarHBondContact O-CG 3.34Å; R547-K551 PolarHBondContact O-N 3.04Å; R547-K551 VanDerWaalsContact O-N 3.15Å
548R93Very high92.4Very high135 Ų13572.4 Ų72.451%0.50934%0.335SS..Hα-helixtrans-61.8-48.4173.1-174.8-174.3-178.71795111.1T544 E545 A546 R550 K551 L552T544-R548 WeakPolarHBondContact O-CB 3.29Å; T544-R548 PolarHBondContact O-N 3.47Å; E545-R548 WeakPolarHBondContact O-CB 3.39Å; E545-R548 PolarHBondContact O-N 3.44Å; E545-R548 IonicContact OE1-NH1 3.54Å; E545-R548 IonicContact OE2-NH1 2.84Å; A546-R548 VanDerWaalsContact C-N 3.32Å; A546-R548 PolarHBondContact O-N 3.08Å; R548-R550 VanDerWaalsContact C-N 3.34Å; R548-R550 PolarHBondContact O-N 3.34Å; R548-K551 WeakPolarHBondContact O-CB 3.48Å; R548-K551 PolarHBondContact O-N 3.05Å; R548-K551 VanDerWaalsContact O-N 3.14Å; R548-L552 HydrophobicContact CG-CD1 4.14Å; R548-L552 WeakPolarHBondContact O-CG 3.36Å; R548-L552 PolarHBondContact O-N 2.77Å
549R93.8Very high92.6Very high36 Ų3672.4 Ų72.414%0.13633%0.334CS..Hα-helixtrans-56.4-45.9175.9-71.3175.4-168.5122.4-3.4111.6C483 K484 T486 L539 E545 A546 K551 L552 L553C483-R549 PolarHBondContact O-NH1 3.14Å; K484-R549 PolarHBondContact O-NH2 3.38Å; T486-R549 PolarHBondContact OG1-NE 3.36Å; L539-R549 HydrophobicContact CD2-CB 4.37Å; E545-R549 WeakPolarHBondContact O-CG 3.02Å; E545-R549 PolarHBondContact O-N 2.9Å; A546-R549 WeakPolarHBondContact O-CB 3.3Å; A546-R549 PolarHBondContact O-N 2.75Å; R549-K551 VanDerWaalsContact C-N 3.33Å; R549-K551 PolarHBondContact O-N 3Å; R549-L552 PolarHBondContact O-N 3.01Å; R549-L552 VanDerWaalsContact O-N 3.1Å; R549-L553 WeakPolarHBondContact O-CG 3.48Å; R549-L553 PolarHBondContact O-N 3.42Å
550R94.6Very high92.8Very high112 Ų11272.4 Ų72.442%0.42333%0.334SS..Hα-helixtrans-55.2-46.2175.1-169.4-179.9179.6-1422.9112.7S536 L539 A546 R547 R548 L552 R554S536-R550 WeakPolarHBondContact O-CD 3.29Å; S536-R550 PolarHBondContact O-NE 3.03Å; S536-R550 PolarHBondContact OG-NE 3.01Å; S536-R550 VanDerWaalsContact OG-NE 3.08Å; S536-R550 PolarHBondContact OG-NH2 3.36Å; L539-R550 HydrophobicContact CB-CB 3.87Å; L539-R550 HydrophobicContact CB-CG 4.36Å; L539-R550 HydrophobicContact CD1-CB 4.49Å; A546-R550 PolarHBondContact O-N 3.22Å; R547-R550 PolarHBondContact O-N 2.89Å; R548-R550 VanDerWaalsContact C-N 3.34Å; R548-R550 PolarHBondContact O-N 3.34Å; R550-L552 VanDerWaalsContact C-N 3.34Å; R550-R554 PolarHBondContact O-N 3.31Å
551K94Very high93Very high150 Ų15073.6 Ų73.665%0.65234%0.337SS*.Hα-helixtrans-62.9-41.5177.4-70.7178.7-178.1-178.70111.2R547 R548 R549 R554 K555R547-K551 WeakPolarHBondContact O-CG 3.34Å; R547-K551 PolarHBondContact O-N 3.04Å; R547-K551 VanDerWaalsContact O-N 3.15Å; R548-K551 WeakPolarHBondContact O-CB 3.48Å; R548-K551 PolarHBondContact O-N 3.05Å; R548-K551 VanDerWaalsContact O-N 3.14Å; R549-K551 VanDerWaalsContact C-N 3.33Å; R549-K551 PolarHBondContact O-N 3Å; K551-R554 PolarHBondContact O-N 2.91Å; K551-K555 PolarHBondContact O-N 2.84Å
552L94.5Very high93.4Very high44 Ų4465.9 Ų65.923%0.2331%0.309CS..Hα-helixtrans-64.9-45.3178.2-68.3172.1000112.1R548 R549 R550 R554 K555 Q556 P604R548-L552 HydrophobicContact CG-CD1 4.14Å; R548-L552 WeakPolarHBondContact O-CG 3.36Å; R548-L552 PolarHBondContact O-N 2.77Å; R549-L552 PolarHBondContact O-N 3.01Å; R549-L552 VanDerWaalsContact O-N 3.1Å; R550-L552 VanDerWaalsContact C-N 3.34Å; L552-R554 VanDerWaalsContact C-N 3.3Å; L552-R554 PolarHBondContact O-N 3.17Å; L552-K555 PolarHBondContact O-N 3.35Å; L552-K555 VanDerWaalsContact O-N 3.14Å; L552-Q556 WeakPolarHBondContact O-CG 2.92Å; L552-Q556 PolarHBondContact O-N 3.04Å; L552-P604 HydrophobicContact CD1-CG 4.15Å
553L96Very high93.9Very high12 Ų1265.5 Ų65.56%0.06330%0.304CS..Hα-helixtrans-58.2-41.9175.8-67.5173.5000111.8N490 Y493 L539 R549 Q556 Q557N490-L553 HydrophobicContact CB-CD2 4.49Å; Y493-L553 HydrophobicContact CD1-CD2 4.27Å; Y493-L553 HydrophobicContact CD2-CD1 4.35Å; Y493-L553 HydrophobicContact CG-CD1 4.26Å; Y493-L553 HydrophobicContact CG-CD2 4.17Å; L539-L553 HydrophobicContact CD1-CD1 3.81Å; R549-L553 WeakPolarHBondContact O-CG 3.48Å; R549-L553 PolarHBondContact O-N 3.42Å; L553-Q556 WeakPolarHBondContact O-CB 3.39Å; L553-Q556 PolarHBondContact O-N 3.14Å; L553-Q557 PolarHBondContact O-N 3.01Å
554R94.8Very high94.2Very high185 Ų18563.6 Ų63.670%0.69828%0.283SS*.Hα-helixtrans-64.5-42.2176.1-172.1175.7-179.1178.50112.1R550 K551 L552 Q557 L558R550-R554 PolarHBondContact O-N 3.31Å; K551-R554 PolarHBondContact O-N 2.91Å; L552-R554 VanDerWaalsContact C-N 3.3Å; L552-R554 PolarHBondContact O-N 3.17Å; R554-Q557 PolarHBondContact O-N 3.26Å; R554-L558 WeakPolarHBondContact O-CG 3.29Å; R554-L558 PolarHBondContact O-N 3.24Å; R554-L558 VanDerWaalsContact O-N 3.13Å
555K94.3Very high94.4Very high123 Ų12363.7 Ų63.754%0.53528%0.276SS..Hα-helixtrans-64.3-39.9175.2-75.1-172.5174.1-169.10111.9K551 L552 Q557 L558 F559 L603K551-K555 PolarHBondContact O-N 2.84Å; L552-K555 PolarHBondContact O-N 3.35Å; L552-K555 VanDerWaalsContact O-N 3.14Å; K555-Q557 VanDerWaalsContact C-N 3.35Å; K555-L558 PolarHBondContact O-N 3.01Å; K555-F559 WeakPolarHBondContact O-CB 3.29Å; K555-F559 PolarHBondContact O-N 2.94Å; K555-L603 HydrophobicContact CB-CD1 3.62Å
556Q96Very high94.5Very high4 Ų460.5 Ų60.52%0.01926%0.262CS..Hα-helixtrans-59.4-44.6173.5-78.7-177.5-23.300111.7N490 W494 L552 L553 L558 F559 V560 L603 P604 P606N490-Q556 PolarHBondContact OD1-NE2 3.49Å; N490-Q556 PolarHBondContact OD1-OE1 3.12Å; W494-Q556 HydrophobicContact CZ2-CB 4.17Å; L552-Q556 WeakPolarHBondContact O-CG 2.92Å; L552-Q556 PolarHBondContact O-N 3.04Å; L553-Q556 WeakPolarHBondContact O-CB 3.39Å; L553-Q556 PolarHBondContact O-N 3.14Å; Q556-L558 PolarHBondContact O-N 2.83Å; Q556-F559 WeakPolarHBondContact O-CB 3.39Å; Q556-F559 PolarHBondContact O-N 2.72Å; Q556-V560 WeakPolarHBondContact O-CG2 3.28Å; Q556-V560 PolarHBondContact O-N 3Å; Q556-L603 HydrophobicContact CG-CD1 3.9Å; Q556-L603 HydrophobicContact CG-CD2 4.47Å; Q556-L603 HydrophobicContact CG-CG 4.16Å; Q556-P604 WeakPolarHBondContact CG-O 3.39Å; Q556-P604 PolarHBondContact NE2-O 3.21Å; Q556-P606 HydrophobicContact CB-CG 4.07Å; Q556-P606 HydrophobicContact CG-CG 4.07Å
557Q95.6Very high94.6Very high60 Ų6060.3 Ų60.328%0.2826%0.26SS..Hα-helixtrans-58.8-49.4176.6-172.5-175.2-10.900111.4Y493 L553 R554 K555 F559 V560 D561Y493-Q557 VanDerWaalsContact OH-CD 3.22Å; Y493-Q557 PolarHBondContact OH-OE1 3.44Å; L553-Q557 PolarHBondContact O-N 3.01Å; R554-Q557 PolarHBondContact O-N 3.26Å; K555-Q557 VanDerWaalsContact C-N 3.35Å; Q557-F559 VanDerWaalsContact C-N 3.27Å; Q557-F559 PolarHBondContact O-N 2.92Å; Q557-V560 PolarHBondContact O-N 3.31Å; Q557-V560 VanDerWaalsContact O-N 3.17Å; Q557-D561 VanDerWaalsContact O-CG 3.26Å; Q557-D561 PolarHBondContact O-N 3.48Å
558L95Very high94.7Very high67 Ų6759.8 Ų59.835%0.35126%0.258SS..Hα-helixtrans-59.5-39177.3-67172.8000112.1R554 K555 Q556 D561 A562 V595R554-L558 WeakPolarHBondContact O-CG 3.29Å; R554-L558 PolarHBondContact O-N 3.24Å; R554-L558 VanDerWaalsContact O-N 3.13Å; K555-L558 PolarHBondContact O-N 3.01Å; Q556-L558 PolarHBondContact O-N 2.83Å; L558-D561 PolarHBondContact O-N 2.82Å; L558-A562 PolarHBondContact O-N 3.49Å; L558-V595 HydrophobicContact CB-CG2 3.58Å
559F95.4Very high94.7Very high0 Ų055 Ų550%025%0.247CC..Hα-helixtrans-61.5-47174.8161.4-102.1000112K555 Q556 Q557 D561 A562 I563 V595 L597 L600 L603 L605 P606 I613 F635 F693K555-F559 WeakPolarHBondContact O-CB 3.29Å; K555-F559 PolarHBondContact O-N 2.94Å; Q556-F559 WeakPolarHBondContact O-CB 3.39Å; Q556-F559 PolarHBondContact O-N 2.72Å; Q557-F559 VanDerWaalsContact C-N 3.27Å; Q557-F559 PolarHBondContact O-N 2.92Å; F559-D561 VanDerWaalsContact C-N 3.34Å; F559-D561 PolarHBondContact O-N 3.02Å; F559-A562 PolarHBondContact O-N 3.23Å; F559-I563 HydrophobicContact CD2-CG1 4.44Å; F559-I563 HydrophobicContact CE2-CD1 4.2Å; F559-I563 HydrophobicContact CE2-CG1 3.95Å; F559-I563 HydrophobicContact CZ-CG1 4.03Å; F559-I563 PolarHBondContact O-N 3.04Å; F559-I563 VanDerWaalsContact O-N 3.13Å; F559-V595 HydrophobicContact CB-CG1 4.44Å; F559-L597 HydrophobicContact CD2-CD2 3.77Å; F559-L597 HydrophobicContact CE2-CD2 3.88Å; F559-L600 HydrophobicContact CD2-CD1 4.26Å; F559-L600 HydrophobicContact CD2-CD2 3.9Å; F559-L600 HydrophobicContact CE2-CD1 4.01Å; F559-L600 HydrophobicContact CE2-CD2 4.44Å; F559-L603 HydrophobicContact CB-CD2 3.73Å; F559-L603 HydrophobicContact CD1-CD2 4.33Å; F559-L603 HydrophobicContact CG-CD2 3.96Å; F559-L605 HydrophobicContact CE1-CD1 4.37Å; F559-P606 HydrophobicContact CD1-CG 4.35Å; F559-I613 HydrophobicContact CE1-CD1 4.46Å; F559-I613 HydrophobicContact CE2-CD1 4.35Å; F559-I613 HydrophobicContact CZ-CD1 4.1Å; F559-F635 HydrophobicContact CE2-CE1 4.08Å; F559-F635 AromaticContact CZ-CE1 3.66Å; F559-F635 HydrophobicContact CZ-CE1 3.66Å; F559-F635 AromaticContact CZ-CZ 3.9Å; F559-F635 HydrophobicContact CZ-CZ 3.9Å; F559-F693 HydrophobicContact CE1-CZ 4.03Å; F559-F693 HydrophobicContact CZ-CZ 4.48Å
560V96.1Very high94.6Very high1 Ų153.5 Ų53.51%0.00624%0.242CC..Hα-helixtrans-63.6-42.2176.6176.20000110.9W494 Q556 Q557 A562 I563 V564 P606 T687 F693W494-V560 HydrophobicContact CH2-CB 3.86Å; W494-V560 HydrophobicContact CH2-CG1 4.25Å; W494-V560 HydrophobicContact CH2-CG2 3.5Å; W494-V560 HydrophobicContact CZ2-CG2 3.85Å; W494-V560 HydrophobicContact CZ3-CG2 4.42Å; Q556-V560 WeakPolarHBondContact O-CG2 3.28Å; Q556-V560 PolarHBondContact O-N 3Å; Q557-V560 PolarHBondContact O-N 3.31Å; Q557-V560 VanDerWaalsContact O-N 3.17Å; V560-A562 VanDerWaalsContact C-N 3.26Å; V560-A562 PolarHBondContact O-N 2.91Å; V560-I563 PolarHBondContact O-N 2.96Å; V560-V564 HydrophobicContact CG1-CG2 4.26Å; V560-V564 WeakPolarHBondContact O-CB 3.29Å; V560-V564 VanDerWaalsContact O-CG2 3.29Å; V560-V564 WeakPolarHBondContact O-CG2 3.31Å; V560-V564 PolarHBondContact O-N 3.21Å; V560-P606 HydrophobicContact CG2-CG 3.93Å; V560-T687 HydrophobicContact CG1-CG2 4.35Å; V560-T687 HydrophobicContact CG2-CG2 4.46Å; V560-F693 HydrophobicContact CG2-CE2 3.93Å
561D94.9Very high94.4Very high55 Ų5551.4 Ų51.429%0.29424%0.241SC..Hα-helixtrans-60.9-35.3177.7-68.4-23.2000112Q557 L558 F559 Q565Q557-D561 VanDerWaalsContact O-CG 3.26Å; Q557-D561 PolarHBondContact O-N 3.48Å; L558-D561 PolarHBondContact O-N 2.82Å; F559-D561 VanDerWaalsContact C-N 3.34Å; F559-D561 PolarHBondContact O-N 3.02Å; D561-Q565 VanDerWaalsContact O-CG 3.3Å; D561-Q565 WeakPolarHBondContact O-CG 3.03Å; D561-Q565 PolarHBondContact O-N 3.35Å; D561-Q565 PolarHBondContact O-NE2 2.85Å
562A94.7Very high94.3Very high8 Ų852.2 Ų52.27%0.06625%0.245CC..Hα-helixtrans-67.2-47.4174.300000111.9L558 F559 V560 V564 Q565 I566 V595L558-A562 PolarHBondContact O-N 3.49Å; F559-A562 PolarHBondContact O-N 3.23Å; V560-A562 VanDerWaalsContact C-N 3.26Å; V560-A562 PolarHBondContact O-N 2.91Å; A562-V564 VanDerWaalsContact C-N 3.29Å; A562-V564 PolarHBondContact O-N 3.24Å; A562-Q565 PolarHBondContact O-N 2.9Å; A562-Q565 VanDerWaalsContact O-N 3.16Å; A562-I566 WeakPolarHBondContact O-CG1 3.37Å; A562-I566 PolarHBondContact O-N 3.36Å; A562-V595 HydrophobicContact CB-CB 4.46Å
563I94.8Very high94.2Very high3 Ų352.8 Ų52.82%0.01525%0.246CC..Hα-helixtrans-59.9-41175.8-63.2-62.3000111F559 V560 Q565 I566 M567 L588 L597 L633 F647F559-I563 HydrophobicContact CD2-CG1 4.44Å; F559-I563 HydrophobicContact CE2-CD1 4.2Å; F559-I563 HydrophobicContact CE2-CG1 3.95Å; F559-I563 HydrophobicContact CZ-CG1 4.03Å; F559-I563 PolarHBondContact O-N 3.04Å; F559-I563 VanDerWaalsContact O-N 3.13Å; V560-I563 PolarHBondContact O-N 2.96Å; I563-Q565 PolarHBondContact O-N 3.23Å; I563-I566 PolarHBondContact O-N 3.42Å; I563-M567 HydrophobicContact CG2-CG 4.37Å; I563-M567 WeakPolarHBondContact O-CB 3.4Å; I563-M567 WeakPolarHBondContact O-CG 3.11Å; I563-M567 PolarHBondContact O-N 3.47Å; I563-L588 HydrophobicContact CD1-CD2 4.29Å; I563-L597 HydrophobicContact CD1-CD1 4.04Å; I563-L597 HydrophobicContact CD1-CD2 4.18Å; I563-L633 HydrophobicContact CD1-CD1 4.1Å; I563-L633 HydrophobicContact CG2-CD1 4.08Å; I563-F647 HydrophobicContact CG2-CD1 3.7Å; I563-F647 HydrophobicContact CG2-CD2 3.95Å; I563-F647 HydrophobicContact CG2-CE1 3.71Å; I563-F647 HydrophobicContact CG2-CE2 3.96Å; I563-F647 HydrophobicContact CG2-CG 3.8Å; I563-F647 HydrophobicContact CG2-CZ 3.84Å
564V94.8Very high93.8Very high10 Ų1056.4 Ų56.46%0.06127%0.273CS..Hα-helixtrans-61-42.9176166.50000111.7V560 A562 M567 R568 F647 Y649V560-V564 HydrophobicContact CG1-CG2 4.26Å; V560-V564 WeakPolarHBondContact O-CB 3.29Å; V560-V564 VanDerWaalsContact O-CG2 3.29Å; V560-V564 WeakPolarHBondContact O-CG2 3.31Å; V560-V564 PolarHBondContact O-N 3.21Å; A562-V564 VanDerWaalsContact C-N 3.29Å; A562-V564 PolarHBondContact O-N 3.24Å; V564-M567 PolarHBondContact O-N 2.98Å; V564-R568 VanDerWaalsContact O-CB 3.28Å; V564-R568 WeakPolarHBondContact O-CB 3.23Å; V564-R568 PolarHBondContact O-N 3.06Å; V564-F647 HydrophobicContact CG2-CZ 3.82Å; V564-Y649 HydrophobicContact CG1-CE2 4.01Å
565Q93.8Very high93.5Very high104 Ų10450.1 Ų50.149%0.48627%0.265SS..Hα-helixtrans-63.8-44.2177.2-75.5171.261.300111.8D561 A562 I563 R568 A569D561-Q565 VanDerWaalsContact O-CG 3.3Å; D561-Q565 WeakPolarHBondContact O-CG 3.03Å; D561-Q565 PolarHBondContact O-N 3.35Å; D561-Q565 PolarHBondContact O-NE2 2.85Å; A562-Q565 PolarHBondContact O-N 2.9Å; A562-Q565 VanDerWaalsContact O-N 3.16Å; I563-Q565 PolarHBondContact O-N 3.23Å; Q565-R568 PolarHBondContact O-N 3.41Å; Q565-A569 PolarHBondContact O-N 3.12Å
566I94Very high93.2Very high23 Ų2349.3 Ų49.312%0.11827%0.267CS..Hα-helixtrans-59.9-50.1175.8-68.1174.7000110.4A562 I563 R568 A569 V570 L584 L587 L588 L597A562-I566 WeakPolarHBondContact O-CG1 3.37Å; A562-I566 PolarHBondContact O-N 3.36Å; I563-I566 PolarHBondContact O-N 3.42Å; I566-R568 VanDerWaalsContact C-N 3.32Å; I566-R568 PolarHBondContact O-N 2.88Å; I566-A569 WeakPolarHBondContact O-CB 3.05Å; I566-A569 PolarHBondContact O-N 3.42Å; I566-A569 VanDerWaalsContact O-N 3.09Å; I566-V570 HydrophobicContact CG2-CG2 4.32Å; I566-V570 WeakPolarHBondContact O-CG2 3.39Å; I566-V570 PolarHBondContact O-N 3.38Å; I566-L584 HydrophobicContact CG2-CD1 3.71Å; I566-L587 HydrophobicContact CG1-CB 4.3Å; I566-L587 HydrophobicContact CG2-CB 3.94Å; I566-L587 HydrophobicContact CG2-CD1 4.09Å; I566-L588 HydrophobicContact CD1-CD2 3.93Å; I566-L597 HydrophobicContact CD1-CD1 3.39Å
567M94.2Very high92.9Very high3 Ų355.2 Ų55.22%0.01529%0.289CS..Hα-helixtrans-64.3-37.1-179.8-71.7-56.8-58.700112.6I563 V564 A569 V570 V571 L584 C631 F647 Y649I563-M567 HydrophobicContact CG2-CG 4.37Å; I563-M567 WeakPolarHBondContact O-CB 3.4Å; I563-M567 WeakPolarHBondContact O-CG 3.11Å; I563-M567 PolarHBondContact O-N 3.47Å; V564-M567 PolarHBondContact O-N 2.98Å; M567-A569 VanDerWaalsContact C-N 3.28Å; M567-A569 PolarHBondContact O-N 3.26Å; M567-V570 PolarHBondContact O-N 3.04Å; M567-V571 WeakPolarHBondContact O-CB 3.31Å; M567-V571 VanDerWaalsContact O-CG2 3.29Å; M567-V571 WeakPolarHBondContact O-CG2 3.3Å; M567-V571 PolarHBondContact O-N 3.32Å; M567-L584 HydrophobicContact SD-CD1 4.26Å; M567-C631 HydrophobicContact CE-CB 3.74Å; M567-C631 HydrophobicContact SD-CB 3.59Å; M567-C631 VanDerWaalsContact SD-CB 3.59Å; M567-F647 HydrophobicContact CB-CE1 4.27Å; M567-F647 HydrophobicContact CG-CD1 3.68Å; M567-F647 HydrophobicContact CG-CE1 3.77Å; M567-Y649 HydrophobicContact CB-CD2 4.34Å; M567-Y649 HydrophobicContact CB-CG 4.15Å
568R93.5Very high92.8Very high121 Ų12159.6 Ų59.646%0.45731%0.307SS..Hα-helixtrans-60.9-38.3173.5-174.2-175.8-66.1169.50.4111.8V564 Q565 I566 K572 Y649V564-R568 VanDerWaalsContact O-CB 3.28Å; V564-R568 WeakPolarHBondContact O-CB 3.23Å; V564-R568 PolarHBondContact O-N 3.06Å; Q565-R568 PolarHBondContact O-N 3.41Å; I566-R568 VanDerWaalsContact C-N 3.32Å; I566-R568 PolarHBondContact O-N 2.88Å; R568-K572 WeakPolarHBondContact O-CG 3.31Å; R568-K572 PolarHBondContact O-N 3.34Å; R568-Y649 PolarHBondContact NE-OH 2.97Å
569A93.3Very high92.7Very high35 Ų3560.4 Ų60.429%0.28931%0.309SS..Hα-helixtrans-68.1-47.4174.500000111.4Q565 I566 M567 V571 K572 E573 F583 L587Q565-A569 PolarHBondContact O-N 3.12Å; I566-A569 WeakPolarHBondContact O-CB 3.05Å; I566-A569 PolarHBondContact O-N 3.42Å; I566-A569 VanDerWaalsContact O-N 3.09Å; M567-A569 VanDerWaalsContact C-N 3.28Å; M567-A569 PolarHBondContact O-N 3.26Å; A569-V571 VanDerWaalsContact C-N 3.35Å; A569-V571 PolarHBondContact O-N 2.97Å; A569-K572 PolarHBondContact O-N 2.96Å; A569-K572 VanDerWaalsContact O-N 3.16Å; A569-E573 PolarHBondContact O-N 3.46Å; A569-F583 HydrophobicContact CB-CE1 4.31Å; A569-L587 HydrophobicContact CB-CD1 3.95Å
570V93Very high92.7Very high3 Ų362.8 Ų62.82%0.01832%0.319CS..Hα-helixtrans-62-38.1-179.7172.50000112.9I566 M567 E573 K580 F583 L584 L587 I623I566-V570 HydrophobicContact CG2-CG2 4.32Å; I566-V570 WeakPolarHBondContact O-CG2 3.39Å; I566-V570 PolarHBondContact O-N 3.38Å; M567-V570 PolarHBondContact O-N 3.04Å; V570-E573 PolarHBondContact O-N 3.48Å; V570-K580 HydrophobicContact CG1-CB 4.43Å; V570-F583 HydrophobicContact CG2-CD1 4.14Å; V570-L584 HydrophobicContact CG2-CB 3.86Å; V570-L584 HydrophobicContact CG2-CD1 4.05Å; V570-L587 HydrophobicContact CG2-CD1 4.08Å; V570-I623 HydrophobicContact CG1-CD1 3.57Å
571V90.1Very high92.6Very high68 Ų6863.4 Ų63.441%0.41232%0.323SS..Hα-helixtrans-66.7-39.8176.7170.10000111M567 A569 E573 K580 Y649M567-V571 WeakPolarHBondContact O-CB 3.31Å; M567-V571 VanDerWaalsContact O-CG2 3.29Å; M567-V571 WeakPolarHBondContact O-CG2 3.3Å; M567-V571 PolarHBondContact O-N 3.32Å; A569-V571 VanDerWaalsContact C-N 3.35Å; A569-V571 PolarHBondContact O-N 2.97Å; V571-E573 VanDerWaalsContact C-N 3.33Å; V571-K580 PolarHBondContact O-NZ 2.82Å; V571-Y649 HydrophobicContact CG2-CD1 4.08Å
572K91.6Very high92.6Very high168 Ų16866.5 Ų66.573%0.7334%0.336SS*.Hα-helixtrans-72.1-25.2177-73.4-179.9177.9-170.90113.5R568 A569R568-K572 WeakPolarHBondContact O-CG 3.31Å; R568-K572 PolarHBondContact O-N 3.34Å; A569-K572 PolarHBondContact O-N 2.96Å; A569-K572 VanDerWaalsContact O-N 3.16Å
573E92.2Very high92.7Very high55 Ų5568.7 Ų68.726%0.25734%0.344SS..  trans-61139.6-179.1-16849.7-114.300111.2A569 V570 V571 K580 F583A569-E573 PolarHBondContact O-N 3.46Å; V570-E573 PolarHBondContact O-N 3.48Å; V571-E573 VanDerWaalsContact C-N 3.33Å; E573-K580 WeakPolarHBondContact O-CE 3.28Å; E573-K580 PolarHBondContact O-NZ 3.14Å; E573-F583 HydrophobicContact CB-CD1 3.8Å; E573-F583 HydrophobicContact CB-CE1 3.93Å; E573-F583 HydrophobicContact CG-CD1 3.66Å; E573-F583 HydrophobicContact CG-CE1 3.97Å; E573-F583 HydrophobicContact CG-CG 4.1Å
574S87.9Confident92.7Very high88 Ų8868.6 Ų68.662%0.61534%0.344SS*.  trans-88.6158.7179.469.70000110.6H579S574-H579 PolarHBondContact O-CD2 3.45Å
575G87.2Confident92.7Very high53 Ų5372 Ų7255%0.54636%0.355SS..SBendtrans108.1180175.700000115.3K580G575-K580 WeakPolarHBondContact O-CE 3.38Å
576N90Very high92.7Very high106 Ų10669.8 Ų69.857%0.56735%0.352SS*.  trans-75.1168.7-173.272.124.2000112.3K578 H579 K580N576-K578 VanDerWaalsContact C-N 3.28Å; N576-K578 PolarHBondContact O-N 2.8Å; N576-K578 PolarHBondContact OD1-N 3.23Å; N576-H579 PolarHBondContact O-N 3.42Å; N576-H579 PolarHBondContact OD1-N 3.37Å; N576-K580 PolarHBondContact O-N 3.48Å
577R89.5Confident92.7Very high128 Ų12870 Ų7048%0.48335%0.353SS..Hα-helixtrans-57.2-37.1-178-169.9178.970.493.71.4113.4K580 V581 I623R577-K580 PolarHBondContact O-N 3.36Å; R577-V581 VanDerWaalsContact O-CG2 3.26Å; R577-V581 WeakPolarHBondContact O-CG2 3.46Å; R577-V581 PolarHBondContact O-N 3.45Å; R577-I623 PolarHBondContact NH1-O 3.27Å
578K92.8Very high92.7Very high153 Ų15370 Ų7067%0.66535%0.352SS*.Hα-helixtrans-63.2-48.2178.4-77-174.1176.1-178.10110.8N576 K580 V581 E582N576-K578 VanDerWaalsContact C-N 3.28Å; N576-K578 PolarHBondContact O-N 2.8Å; N576-K578 PolarHBondContact OD1-N 3.23Å; K578-K580 VanDerWaalsContact C-N 3.35Å; K578-K580 PolarHBondContact O-N 3.32Å; K578-V581 PolarHBondContact O-N 3.11Å; K578-V581 VanDerWaalsContact O-N 3.14Å; K578-E582 PolarHBondContact O-N 3.39Å
579H93.8Very high92.5Very high84 Ų8468.4 Ų68.439%0.38935%0.353SS..Hα-helixtrans-59.7-45.1177-172.866.5000111.8S574 N576 V581 E582 F583S574-H579 PolarHBondContact O-CD2 3.45Å; N576-H579 PolarHBondContact O-N 3.42Å; N576-H579 PolarHBondContact OD1-N 3.37Å; H579-V581 VanDerWaalsContact C-N 3.3Å; H579-V581 PolarHBondContact O-N 3.46Å; H579-E582 PolarHBondContact O-N 2.68Å; H579-F583 WeakPolarHBondContact O-CB 3.38Å; H579-F583 PolarHBondContact O-N 3.47Å
580K93.8Very high92.2Very high49 Ų4972 Ų7221%0.21336%0.364CS..Hα-helixtrans-61.2-36.2175.8-67.6-169.3177.1-138.50113.1V570 V571 E573 G575 N576 R577 K578 L584 I623V570-K580 HydrophobicContact CG1-CB 4.43Å; V571-K580 PolarHBondContact O-NZ 2.82Å; E573-K580 WeakPolarHBondContact O-CE 3.28Å; E573-K580 PolarHBondContact O-NZ 3.14Å; G575-K580 WeakPolarHBondContact O-CE 3.38Å; N576-K580 PolarHBondContact O-N 3.48Å; R577-K580 PolarHBondContact O-N 3.36Å; K578-K580 VanDerWaalsContact C-N 3.35Å; K578-K580 PolarHBondContact O-N 3.32Å; K580-L584 WeakPolarHBondContact O-CB 3.08Å; K580-L584 PolarHBondContact O-N 3.2Å; K580-I623 HydrophobicContact CB-CD1 3.76Å
581V95.3Very high91.2Very high14 Ų1476.6 Ų76.69%0.08540%0.396CS..Hα-helixtrans-68.5-44.1175.6169.80000111.1R577 K578 H579 F583 L584 R585 I623R577-V581 VanDerWaalsContact O-CG2 3.26Å; R577-V581 WeakPolarHBondContact O-CG2 3.46Å; R577-V581 PolarHBondContact O-N 3.45Å; K578-V581 PolarHBondContact O-N 3.11Å; K578-V581 VanDerWaalsContact O-N 3.14Å; H579-V581 VanDerWaalsContact C-N 3.3Å; H579-V581 PolarHBondContact O-N 3.46Å; V581-F583 VanDerWaalsContact C-N 3.32Å; V581-F583 PolarHBondContact O-N 2.69Å; V581-L584 WeakPolarHBondContact O-CB 3.16Å; V581-L584 PolarHBondContact O-N 3.12Å; V581-R585 VanDerWaalsContact O-CG 3.27Å; V581-R585 WeakPolarHBondContact O-CG 3.47Å; V581-R585 PolarHBondContact O-N 3.26Å; V581-I623 HydrophobicContact CG2-CB 3.9Å; V581-I623 HydrophobicContact CG2-CD1 4.05Å; V581-I623 HydrophobicContact CG2-CG1 3.91Å
582E95.3Very high90.5Very high120 Ų12076.8 Ų76.856%0.56140%0.395SS*.Hα-helixtrans-61-42.5175.4-72.8166.3-170.800111.5K578 H579 R585 S586K578-E582 PolarHBondContact O-N 3.39Å; H579-E582 PolarHBondContact O-N 2.68Å; E582-R585 PolarHBondContact O-N 3.21Å; E582-S586 PolarHBondContact O-N 3.28Å
583F95.1Very high89.5Confident55 Ų5578.4 Ų78.424%0.24141%0.405CS..Hα-helixtrans-63.1-45.6175.5-173.3-121.3000112.5A569 V570 E573 H579 V581 R585 S586 L587A569-F583 HydrophobicContact CB-CE1 4.31Å; V570-F583 HydrophobicContact CG2-CD1 4.14Å; E573-F583 HydrophobicContact CB-CD1 3.8Å; E573-F583 HydrophobicContact CB-CE1 3.93Å; E573-F583 HydrophobicContact CG-CD1 3.66Å; E573-F583 HydrophobicContact CG-CE1 3.97Å; E573-F583 HydrophobicContact CG-CG 4.1Å; H579-F583 WeakPolarHBondContact O-CB 3.38Å; H579-F583 PolarHBondContact O-N 3.47Å; V581-F583 VanDerWaalsContact C-N 3.32Å; V581-F583 PolarHBondContact O-N 2.69Å; F583-R585 VanDerWaalsContact C-N 3.33Å; F583-R585 PolarHBondContact O-N 2.88Å; F583-S586 WeakPolarHBondContact O-CB 3.14Å; F583-S586 PolarHBondContact O-N 2.63Å; F583-L587 HydrophobicContact CD1-CD1 4.04Å; F583-L587 HydrophobicContact CE1-CD1 3.65Å; F583-L587 HydrophobicContact CE1-CG 4.4Å; F583-L587 HydrophobicContact CE2-CD1 4.45Å; F583-L587 HydrophobicContact CE2-CD2 4.46Å; F583-L587 HydrophobicContact CE2-CG 4.37Å; F583-L587 HydrophobicContact CZ-CD1 3.87Å; F583-L587 HydrophobicContact CZ-CD2 4.34Å; F583-L587 HydrophobicContact CZ-CG 4.25Å; F583-L587 WeakPolarHBondContact O-CG 3.32Å; F583-L587 PolarHBondContact O-N 3.14Å
584L94.8Very high88.8Confident1 Ų183.5 Ų83.51%0.00543%0.426CS..Hα-helixtrans-55-47.5172.9168.968.2000111.6I566 M567 V570 K580 V581 S586 L587 L588 A621 I623 C631I566-L584 HydrophobicContact CG2-CD1 3.71Å; M567-L584 HydrophobicContact SD-CD1 4.26Å; V570-L584 HydrophobicContact CG2-CB 3.86Å; V570-L584 HydrophobicContact CG2-CD1 4.05Å; K580-L584 WeakPolarHBondContact O-CB 3.08Å; K580-L584 PolarHBondContact O-N 3.2Å; V581-L584 WeakPolarHBondContact O-CB 3.16Å; V581-L584 PolarHBondContact O-N 3.12Å; L584-S586 VanDerWaalsContact C-N 3.33Å; L584-S586 PolarHBondContact O-N 2.82Å; L584-L587 PolarHBondContact O-N 2.73Å; L584-L588 HydrophobicContact CD1-CD1 3.98Å; L584-L588 HydrophobicContact CD1-CG 4.1Å; L584-L588 HydrophobicContact CG-CD1 4.01Å; L584-L588 HydrophobicContact CG-CG 4.48Å; L584-L588 WeakPolarHBondContact O-CG 3.46Å; L584-L588 PolarHBondContact O-N 3.49Å; L584-A621 HydrophobicContact CD2-CB 4.14Å; L584-I623 HydrophobicContact CD2-CD1 4.31Å; L584-I623 HydrophobicContact CD2-CG1 3.9Å; L584-C631 WeakPolarHBondContact CD2-SG 3.47Å
585R95.4Very high88.5Confident80 Ų8080.2 Ų80.230%0.30240%0.403SS..Hα-helixtrans-63.3-39.9179.9-69.7179179.7175.8-5112.1V581 E582 F583 L588 N589 A618 D619 A621V581-R585 VanDerWaalsContact O-CG 3.27Å; V581-R585 WeakPolarHBondContact O-CG 3.47Å; V581-R585 PolarHBondContact O-N 3.26Å; E582-R585 PolarHBondContact O-N 3.21Å; F583-R585 VanDerWaalsContact C-N 3.33Å; F583-R585 PolarHBondContact O-N 2.88Å; R585-L588 PolarHBondContact O-N 3.28Å; R585-N589 PolarHBondContact O-N 3.26Å; R585-N589 PolarHBondContact O-ND2 2.99Å; R585-A618 WeakPolarHBondContact CG-O 3.38Å; R585-D619 PolarHBondContact NE-O 3.41Å; R585-D619 PolarHBondContact NH2-O 3.2Å; R585-A621 PolarHBondContact NE-O 3.22Å; R585-A621 PolarHBondContact NH2-O 2.94Å
586S94.1Very high88.5Confident59 Ų5979.6 Ų79.641%0.41339%0.39SS..Hα-helixtrans-58.9-50.5173.6178.90000111.2E582 F583 L584 L588 N589 Q590E582-S586 PolarHBondContact O-N 3.28Å; F583-S586 WeakPolarHBondContact O-CB 3.14Å; F583-S586 PolarHBondContact O-N 2.63Å; L584-S586 VanDerWaalsContact C-N 3.33Å; L584-S586 PolarHBondContact O-N 2.82Å; S586-L588 VanDerWaalsContact C-N 3.35Å; S586-L588 PolarHBondContact O-N 3.49Å; S586-N589 PolarHBondContact O-N 3.41Å; S586-N589 VanDerWaalsContact O-N 3.17Å; S586-Q590 WeakPolarHBondContact O-CG 3.33Å; S586-Q590 PolarHBondContact O-N 3.36Å
587L93.8Very high88.5Confident27 Ų2774.8 Ų74.814%0.14136%0.364CS..Hα-helixtrans-63-37.4179-68.2177.4000113I566 A569 V570 F583 L584 N589 Q590I566-L587 HydrophobicContact CG1-CB 4.3Å; I566-L587 HydrophobicContact CG2-CB 3.94Å; I566-L587 HydrophobicContact CG2-CD1 4.09Å; A569-L587 HydrophobicContact CB-CD1 3.95Å; V570-L587 HydrophobicContact CG2-CD1 4.08Å; F583-L587 HydrophobicContact CD1-CD1 4.04Å; F583-L587 HydrophobicContact CE1-CD1 3.65Å; F583-L587 HydrophobicContact CE1-CG 4.4Å; F583-L587 HydrophobicContact CE2-CD1 4.45Å; F583-L587 HydrophobicContact CE2-CD2 4.46Å; F583-L587 HydrophobicContact CE2-CG 4.37Å; F583-L587 HydrophobicContact CZ-CD1 3.87Å; F583-L587 HydrophobicContact CZ-CD2 4.34Å; F583-L587 HydrophobicContact CZ-CG 4.25Å; F583-L587 WeakPolarHBondContact O-CG 3.32Å; F583-L587 PolarHBondContact O-N 3.14Å; L584-L587 PolarHBondContact O-N 2.73Å; L587-N589 VanDerWaalsContact C-N 3.27Å; L587-N589 PolarHBondContact O-N 3.5Å; L587-Q590 PolarHBondContact O-N 2.79Å
588L93.3Very high88.3Confident2 Ų271.3 Ų71.31%0.0136%0.357CS..Hα-helixtrans-66.9-27.8176.8-73.4174.4000113.3I563 I566 L584 R585 S586 L597 V616 A618 A621 L633I563-L588 HydrophobicContact CD1-CD2 4.29Å; I566-L588 HydrophobicContact CD1-CD2 3.93Å; L584-L588 HydrophobicContact CD1-CD1 3.98Å; L584-L588 HydrophobicContact CD1-CG 4.1Å; L584-L588 HydrophobicContact CG-CD1 4.01Å; L584-L588 HydrophobicContact CG-CG 4.48Å; L584-L588 WeakPolarHBondContact O-CG 3.46Å; L584-L588 PolarHBondContact O-N 3.49Å; R585-L588 PolarHBondContact O-N 3.28Å; S586-L588 VanDerWaalsContact C-N 3.35Å; S586-L588 PolarHBondContact O-N 3.49Å; L588-L597 HydrophobicContact CD2-CD1 3.74Å; L588-V616 HydrophobicContact CD1-CG1 4.25Å; L588-V616 HydrophobicContact CD2-CG1 4.2Å; L588-A618 HydrophobicContact CB-CB 3.85Å; L588-A621 HydrophobicContact CD1-CB 3.46Å; L588-A621 VanDerWaalsContact CD1-CB 3.46Å; L588-L633 HydrophobicContact CD1-CD2 3.89Å; L588-L633 HydrophobicContact CD2-CD2 4.4Å
589N90.7Very high88.2Confident88 Ų8869 Ų6947%0.47135%0.352SS..Hα-helixtrans-85.9-13.5177.1-77.8-33.6000113.1R585 S586 L587 A618R585-N589 PolarHBondContact O-N 3.26Å; R585-N589 PolarHBondContact O-ND2 2.99Å; S586-N589 PolarHBondContact O-N 3.41Å; S586-N589 VanDerWaalsContact O-N 3.17Å; L587-N589 VanDerWaalsContact C-N 3.27Å; L587-N589 PolarHBondContact O-N 3.5Å; N589-A618 WeakPolarHBondContact OD1-CB 3.43Å
590Q87.2Confident88.1Confident112 Ų11265.7 Ų65.752%0.52334%0.337SS..SBendtrans-72.8133174.6-72.1172.815.400110.2S586 L587S586-Q590 WeakPolarHBondContact O-CG 3.33Å; S586-Q590 PolarHBondContact O-N 3.36Å; L587-Q590 PolarHBondContact O-N 2.79Å
591S70.3Confident87.8Confident99 Ų9967 Ų6769%0.69236%0.357SS*.  trans-82.9114.8173.841.40000110.4
592D77.2Confident87.7Confident71 Ų7166.9 Ų66.938%0.3836%0.359SS..  trans-84.8141.5168.8-171.6-43.3000109.6K594 V595D592-K594 PolarHBondContact O-N 3.32Å; D592-K594 PolarHBondContact OD1-N 3.43Å; D592-V595 CarbonylContact O-C 3.33Å
593E70.2Confident87.7Confident202 Ų20261.6 Ų61.694%0.94433%0.334SS*.SBendtrans-59-31.4176.8-70.6-174.1162.700112.8
594K77.1Confident87.7Confident163 Ų16359.4 Ų59.471%0.70933%0.326SS*.SBendtrans-84.6-41.8-176.8-67.1178.4-177170.60112.8D592D592-K594 PolarHBondContact O-N 3.32Å; D592-K594 PolarHBondContact OD1-N 3.43Å
595V80.8Confident87.8Confident19 Ų1959.4 Ų59.412%0.11533%0.325CS..  trans-145112.4-177.4-178.20000110.1L558 F559 A562 D592 L597 L600L558-V595 HydrophobicContact CB-CG2 3.58Å; F559-V595 HydrophobicContact CB-CG1 4.44Å; A562-V595 HydrophobicContact CB-CB 4.46Å; D592-V595 CarbonylContact O-C 3.33Å; V595-L597 HydrophobicContact CG1-CD2 4.18Å; V595-L597 PolarHBondContact O-N 3.3Å; V595-L600 HydrophobicContact CG1-CD2 3.85Å
596S87.7Confident87.9Confident39 Ų3955.6 Ų55.627%0.27331%0.311SS..  trans-80.8107.6170.9-1790000110.4T598 N599 L600S596-T598 PolarHBondContact O-N 3.04Å; S596-T598 PolarHBondContact OG-OG1 3.07Å; S596-N599 CarbonylContact O-C 3.57Å; S596-N599 PolarHBondContact O-N 3.48Å; S596-N599 VanDerWaalsContact O-N 3.12Å; S596-N599 VanDerWaalsContact O-O 3.07Å; S596-N599 PolarHBondContact OG-N 3.06Å; S596-L600 WeakPolarHBondContact O-CD2 3.49Å
597L89.5Confident88.1Confident5 Ų552.8 Ų52.83%0.02629%0.292CS..THydrogen-bonded Turntrans-68-18.5176.6-63.5-178.9000112.9F559 I563 I566 L588 V595 L600 V616F559-L597 HydrophobicContact CD2-CD2 3.77Å; F559-L597 HydrophobicContact CE2-CD2 3.88Å; I563-L597 HydrophobicContact CD1-CD1 4.04Å; I563-L597 HydrophobicContact CD1-CD2 4.18Å; I566-L597 HydrophobicContact CD1-CD1 3.39Å; L588-L597 HydrophobicContact CD2-CD1 3.74Å; V595-L597 HydrophobicContact CG1-CD2 4.18Å; V595-L597 PolarHBondContact O-N 3.3Å; L597-L600 HydrophobicContact CD2-CD2 4.3Å; L597-V616 HydrophobicContact CB-CB 4.5Å; L597-V616 HydrophobicContact CB-CG2 3.97Å; L597-V616 HydrophobicContact CD2-CG2 4.3Å; L597-V616 PolarHBondContact O-N 3.44Å
598T86.8Confident88.2Confident56 Ų5652.1 Ų52.134%0.34429%0.288SS..THydrogen-bonded Turntrans-82.2-14.9173.6560000112.9S596 M615S596-T598 PolarHBondContact O-N 3.04Å; S596-T598 PolarHBondContact OG-OG1 3.07Å; T598-M615 VanDerWaalsContact O-CB 3.26Å; T598-M615 WeakPolarHBondContact O-CB 3.48Å
599N89.7Confident88.3Confident104 Ų10452.7 Ų52.756%0.55629%0.292SS*.  trans-147.993.8172.9-174.43.3000112.2S596 A601 Q614S596-N599 CarbonylContact O-C 3.57Å; S596-N599 PolarHBondContact O-N 3.48Å; S596-N599 VanDerWaalsContact O-N 3.12Å; S596-N599 VanDerWaalsContact O-O 3.07Å; S596-N599 PolarHBondContact OG-N 3.06Å; N599-A601 PolarHBondContact OD1-N 3.2Å; N599-Q614 CarbonylContact C-O 3.5Å
600L91.1Very high88.5Confident15 Ų1553 Ų538%0.07930%0.301CS..  trans-90.61.2179.5-63171.2000113.4F559 V595 S596 L597 G602 L603 I613 Q614 V616F559-L600 HydrophobicContact CD2-CD1 4.26Å; F559-L600 HydrophobicContact CD2-CD2 3.9Å; F559-L600 HydrophobicContact CE2-CD1 4.01Å; F559-L600 HydrophobicContact CE2-CD2 4.44Å; V595-L600 HydrophobicContact CG1-CD2 3.85Å; S596-L600 WeakPolarHBondContact O-CD2 3.49Å; L597-L600 HydrophobicContact CD2-CD2 4.3Å; L600-G602 VanDerWaalsContact C-N 3.26Å; L600-G602 PolarHBondContact O-N 3.21Å; L600-G602 VanDerWaalsContact O-N 3.12Å; L600-L603 HydrophobicContact CB-CB 4.28Å; L600-L603 WeakPolarHBondContact O-CB 3.42Å; L600-L603 PolarHBondContact O-N 3.11Å; L600-L603 VanDerWaalsContact O-N 3.11Å; L600-I613 HydrophobicContact CB-CG1 4.37Å; L600-I613 HydrophobicContact CD1-CD1 3.47Å; L600-I613 VanDerWaalsContact CD1-CD1 3.47Å; L600-I613 HydrophobicContact CD1-CG1 3.84Å; L600-Q614 PolarHBondContact N-O 3.21Å; L600-V616 HydrophobicContact CD1-CG2 4.28Å
601A89.3Confident88.9Confident77 Ų7748.6 Ų48.664%0.63628%0.281SS*.THydrogen-bonded Turntrans48.939.8173.300000115.1N599N599-A601 PolarHBondContact OD1-N 3.2Å
602G92.3Very high90.1Very high11 Ų1148.7 Ų48.711%0.11327%0.269CS..THydrogen-bonded Turntrans75.328.9176.800000114.4L600 I613L600-G602 VanDerWaalsContact C-N 3.26Å; L600-G602 PolarHBondContact O-N 3.21Å; L600-G602 VanDerWaalsContact O-N 3.12Å; G602-I613 CarbonylContact C-O 3.57Å; G602-I613 WeakPolarHBondContact CA-O 3.35Å; G602-I613 PolarHBondContact N-O 3.3Å; G602-I613 VanDerWaalsContact N-O 3.07Å
603L95Very high91Very high8 Ų845.3 Ų45.34%0.04225%0.251CS..EExtended strand (participates in β ladder)trans-56.8130.6175.3-174.966000110.3K555 Q556 F559 L600 L605 K612 I613K555-L603 HydrophobicContact CB-CD1 3.62Å; Q556-L603 HydrophobicContact CG-CD1 3.9Å; Q556-L603 HydrophobicContact CG-CD2 4.47Å; Q556-L603 HydrophobicContact CG-CG 4.16Å; F559-L603 HydrophobicContact CB-CD2 3.73Å; F559-L603 HydrophobicContact CD1-CD2 4.33Å; F559-L603 HydrophobicContact CG-CD2 3.96Å; L600-L603 HydrophobicContact CB-CB 4.28Å; L600-L603 WeakPolarHBondContact O-CB 3.42Å; L600-L603 PolarHBondContact O-N 3.11Å; L600-L603 VanDerWaalsContact O-N 3.11Å; L603-L605 PolarHBondContact O-N 3.15Å; L603-K612 WeakPolarHBondContact O-CA 3.28Å; L603-I613 HydrophobicContact CB-CG1 4.18Å; L603-I613 PolarHBondContact N-O 3.02Å; L603-I613 WeakPolarHBondContact O-CG1 3.41Å; L603-I613 PolarHBondContact O-N 2.88Å
604P96.4Very high92.2Very high10 Ų1039.8 Ų39.87%0.06523%0.226CC..EExtended strand (participates in β ladder)trans-63.8132.4169.1-22.934.6000110.3L552 Q556 V611L552-P604 HydrophobicContact CD1-CG 4.15Å; Q556-P604 WeakPolarHBondContact CG-O 3.39Å; Q556-P604 PolarHBondContact NE2-O 3.21Å; P604-V611 WeakPolarHBondContact CA-O 3.37Å
605L96.8Very high93Very high0 Ų034.6 Ų34.60%020%0.204CC..PPolyproline II helixtrans-68.8131.6178.9-175.970000109.8F559 L603 L607 D608 V611 I613 F635 Y643 T645F559-L605 HydrophobicContact CE1-CD1 4.37Å; L603-L605 PolarHBondContact O-N 3.15Å; L605-L607 VanDerWaalsContact C-N 3.29Å; L605-L607 HydrophobicContact CD2-CB 4.02Å; L605-L607 HydrophobicContact CG-CB 4.13Å; L605-L607 PolarHBondContact O-N 3.43Å; L605-D608 CarbonylContact O-C 3.55Å; L605-D608 PolarHBondContact O-N 3.44Å; L605-D608 VanDerWaalsContact O-O 3.11Å; L605-V611 HydrophobicContact CB-CB 4.49Å; L605-V611 PolarHBondContact N-O 2.96Å; L605-I613 HydrophobicContact CB-CG2 4.27Å; L605-I613 HydrophobicContact CD1-CD1 3.93Å; L605-F635 HydrophobicContact CD1-CD2 4.31Å; L605-F635 HydrophobicContact CD1-CE2 3.95Å; L605-F635 HydrophobicContact CD1-CZ 4.2Å; L605-Y643 HydrophobicContact CD2-CD1 3.73Å; L605-Y643 HydrophobicContact CD2-CE1 3.59Å; L605-T645 HydrophobicContact CD2-CG2 3.99Å
606P97.3Very high93.7Very high0 Ų033.8 Ų33.80%020%0.2CC..SBendtrans-52.8-45.2177.7-31.638.3000113.6N490 W494 Q556 F559 V560 D608 L685N490-P606 PolarHBondContact ND2-O 3.27Å; W494-P606 HydrophobicContact CZ2-CB 3.96Å; W494-P606 HydrophobicContact CZ2-CG 3.95Å; Q556-P606 HydrophobicContact CB-CG 4.07Å; Q556-P606 HydrophobicContact CG-CG 4.07Å; F559-P606 HydrophobicContact CD1-CG 4.35Å; V560-P606 HydrophobicContact CG2-CG 3.93Å; P606-D608 VanDerWaalsContact C-N 3.27Å; P606-D608 PolarHBondContact O-N 3.25Å; P606-L685 HydrophobicContact CB-CD2 3.86Å; P606-L685 WeakPolarHBondContact O-CD2 3.27Å
607L97.4Very high94Very high1 Ų132.5 Ų32.51%0.00519%0.19CC..SBendtrans-59.2-38.7178.8179.366.8000112.4Y491 L605 Y643 T645 K683 L685 F693 Q695Y491-L607 PolarHBondContact OH-O 3.42Å; L605-L607 VanDerWaalsContact C-N 3.29Å; L605-L607 HydrophobicContact CD2-CB 4.02Å; L605-L607 HydrophobicContact CG-CB 4.13Å; L605-L607 PolarHBondContact O-N 3.43Å; L607-Y643 HydrophobicContact CD2-CE1 4.39Å; L607-T645 HydrophobicContact CD2-CG2 3.78Å; L607-K683 HydrophobicContact CD1-CB 3.78Å; L607-K683 HydrophobicContact CD2-CB 4.43Å; L607-K683 HydrophobicContact CG-CB 3.95Å; L607-L685 HydrophobicContact CD1-CB 3.81Å; L607-F693 HydrophobicContact CB-CB 3.95Å; L607-F693 HydrophobicContact CD1-CB 3.97Å; L607-F693 HydrophobicContact CD2-CB 4.13Å; L607-F693 HydrophobicContact CG-CB 4.24Å; L607-Q695 HydrophobicContact CD2-CB 4.13Å
608D96.2Very high94.2Very high13 Ų1332.5 Ų32.57%0.0719%0.191CC..  trans-144.393-174.7-169.23.2000111.5L605 P606 S610 V611 K683L605-D608 CarbonylContact O-C 3.55Å; L605-D608 PolarHBondContact O-N 3.44Å; L605-D608 VanDerWaalsContact O-O 3.11Å; P606-D608 VanDerWaalsContact C-N 3.27Å; P606-D608 PolarHBondContact O-N 3.25Å; D608-S610 PolarHBondContact O-N 2.64Å; D608-S610 VanDerWaalsContact O-N 3.12Å; D608-S610 PolarHBondContact OD1-N 3.12Å; D608-S610 PolarHBondContact OD1-OG 2.86Å; D608-V611 HydrophobicContact CB-CB 4.37Å; D608-V611 HydrophobicContact CB-CG2 4.06Å; D608-V611 PolarHBondContact O-N 3.48Å; D608-V611 WeakPolarHBondContact OD2-CG2 3.36Å; D608-K683 HydrophobicContact CB-CD 3.84Å; D608-K683 IonicContact OD1-NZ 3.2Å; D608-K683 PolarHBondContact OD1-NZ 2.88Å; D608-K683 IonicContact OD2-NZ 2.73Å; D608-K683 PolarHBondContact OD2-NZ 2.89Å
609P95.3Very high94.6Very high13 Ų1335.3 Ų35.38%0.08420%0.204CC..THydrogen-bonded Turntrans-68.9-11.4-172.626.1-32.9000114A487 N490 Y491 V611A487-P609 HydrophobicContact CB-CG 3.9Å; N490-P609 HydrophobicContact CB-CB 4.01Å; N490-P609 HydrophobicContact CB-CG 4.12Å; Y491-P609 HydrophobicContact CE2-CG 4.06Å; Y491-P609 WeakPolarHBondContact OH-CD 3.31Å; P609-V611 VanDerWaalsContact C-N 3.29Å
610S94.5Very high94.9Very high94 Ų9434.4 Ų34.466%0.65720%0.196SC*.THydrogen-bonded Turntrans-75.3-20.217061.10000112.6D608D608-S610 PolarHBondContact O-N 2.64Å; D608-S610 VanDerWaalsContact O-N 3.12Å; D608-S610 PolarHBondContact OD1-N 3.12Å; D608-S610 PolarHBondContact OD1-OG 2.86Å
611V96Very high95.1Very high20 Ų2033.7 Ų33.712%0.12119%0.193CC..  trans-92.2115.7-179.2179.80000109.9P604 L605 D608 P609 I613 T637 Y643P604-V611 WeakPolarHBondContact CA-O 3.37Å; L605-V611 HydrophobicContact CB-CB 4.49Å; L605-V611 PolarHBondContact N-O 2.96Å; D608-V611 HydrophobicContact CB-CB 4.37Å; D608-V611 HydrophobicContact CB-CG2 4.06Å; D608-V611 PolarHBondContact O-N 3.48Å; D608-V611 WeakPolarHBondContact OD2-CG2 3.36Å; P609-V611 VanDerWaalsContact C-N 3.29Å; V611-I613 HydrophobicContact CG1-CG2 4.19Å; V611-T637 HydrophobicContact CG1-CG2 3.62Å; V611-Y643 HydrophobicContact CG1-CD1 4.45Å; V611-Y643 HydrophobicContact CG1-CD2 4.11Å; V611-Y643 HydrophobicContact CG1-CG 3.95Å; V611-Y643 HydrophobicContact CG2-CD2 3.87Å; V611-Y643 HydrophobicContact CG2-CE2 3.81Å; V611-Y643 HydrophobicContact CG2-CG 4.45Å
612K96.1Very high95.4Very high101 Ų10132.1 Ų32.144%0.43918%0.175SC..EExtended strand (participates in β ladder)trans-97.4118.6176.5-64.5176.7-174.1167.80110.4L603 T637 L638L603-K612 WeakPolarHBondContact O-CA 3.28Å; K612-T637 CarbonylContact O-C 3.53Å; K612-T637 VanDerWaalsContact O-CA 3.25Å; K612-T637 WeakPolarHBondContact O-CA 3.41Å; K612-L638 HydrophobicContact CB-CD1 3.6Å; K612-L638 HydrophobicContact CB-CG 3.92Å; K612-L638 HydrophobicContact CD-CD1 3.75Å; K612-L638 HydrophobicContact CG-CD1 4.33Å; K612-L638 PolarHBondContact O-N 3.03Å
613I95.9Very high95.5Very high0 Ų031.9 Ų31.90%017%0.171CC..EExtended strand (participates in β ladder)trans-97.3135.3-174.859.7175.6000111.9F559 L600 G602 L603 L605 V611 F635F559-I613 HydrophobicContact CE1-CD1 4.46Å; F559-I613 HydrophobicContact CE2-CD1 4.35Å; F559-I613 HydrophobicContact CZ-CD1 4.1Å; L600-I613 HydrophobicContact CB-CG1 4.37Å; L600-I613 HydrophobicContact CD1-CD1 3.47Å; L600-I613 VanDerWaalsContact CD1-CD1 3.47Å; L600-I613 HydrophobicContact CD1-CG1 3.84Å; G602-I613 CarbonylContact C-O 3.57Å; G602-I613 WeakPolarHBondContact CA-O 3.35Å; G602-I613 PolarHBondContact N-O 3.3Å; G602-I613 VanDerWaalsContact N-O 3.07Å; L603-I613 HydrophobicContact CB-CG1 4.18Å; L603-I613 PolarHBondContact N-O 3.02Å; L603-I613 WeakPolarHBondContact O-CG1 3.41Å; L603-I613 PolarHBondContact O-N 2.88Å; L605-I613 HydrophobicContact CB-CG2 4.27Å; L605-I613 HydrophobicContact CD1-CD1 3.93Å; V611-I613 HydrophobicContact CG1-CG2 4.19Å; I613-F635 HydrophobicContact CB-CB 4.1Å; I613-F635 HydrophobicContact CD1-CD1 3.89Å; I613-F635 HydrophobicContact CD1-CE1 4.16Å; I613-F635 HydrophobicContact CD1-CG 4.4Å; I613-F635 HydrophobicContact CG2-CB 3.57Å; I613-F635 HydrophobicContact CG2-CD1 4.42Å; I613-F635 HydrophobicContact CG2-CG 3.97Å
614Q94.4Very high95.3Very high86 Ų8634.7 Ų34.740%0.40218%0.183SC..EExtended strand (participates in β ladder)trans-96.1-42.1178.4-169.5179.418.700111.8N599 L600 R636 L638N599-Q614 CarbonylContact C-O 3.5Å; L600-Q614 PolarHBondContact N-O 3.21Å; Q614-R636 PolarHBondContact N-O 2.84Å; Q614-L638 HydrophobicContact CB-CD2 4.33Å
615M94Very high94.7Very high54 Ų5441.7 Ų41.727%0.26622%0.22SC..EExtended strand (participates in β ladder)trans-159.6159.2-179.764.6179.6-63.800112T598 F635 R636T598-M615 VanDerWaalsContact O-CB 3.26Å; T598-M615 WeakPolarHBondContact O-CB 3.48Å; M615-F635 WeakPolarHBondContact O-CA 3.32Å; M615-R636 HydrophobicContact CG-CB 3.86Å; M615-R636 PolarHBondContact O-N 3.43Å
616V95.3Very high94Very high3 Ų345.2 Ų45.22%0.01824%0.244CC..EExtended strand (participates in β ladder)trans-81.2129.1165.6-172.50000109.2L588 L597 L600 A618 L633 F635L588-V616 HydrophobicContact CD1-CG1 4.25Å; L588-V616 HydrophobicContact CD2-CG1 4.2Å; L597-V616 HydrophobicContact CB-CB 4.5Å; L597-V616 HydrophobicContact CB-CG2 3.97Å; L597-V616 HydrophobicContact CD2-CG2 4.3Å; L597-V616 PolarHBondContact O-N 3.44Å; L600-V616 HydrophobicContact CD1-CG2 4.28Å; V616-A618 PolarHBondContact O-N 3.33Å; V616-A618 VanDerWaalsContact O-N 3.15Å; V616-L633 HydrophobicContact CG1-CD2 4.44Å; V616-F635 HydrophobicContact CG2-CD1 3.9Å; V616-F635 HydrophobicContact CG2-CE1 3.73Å
617V95.5Very high93.1Very high12 Ų1250.2 Ų50.27%0.07329%0.286CS..  trans-8682.6174.9-171.60000108.4D619 Q620 T634 R636V617-D619 VanDerWaalsContact C-N 3.29Å; V617-D619 PolarHBondContact O-N 2.85Å; V617-Q620 HydrophobicContact CB-CB 4.49Å; V617-Q620 HydrophobicContact CG1-CB 4.16Å; V617-Q620 HydrophobicContact CG1-CG 3.82Å; V617-Q620 PolarHBondContact O-N 3.42Å; V617-T634 PolarHBondContact N-O 2.91Å; V617-R636 HydrophobicContact CG2-CB 4.21Å
618A94.1Very high92.4Very high4 Ų454 Ų543%0.03331%0.306CS..G310 helixtrans-53.2-42.2-172.700000113.1R585 L588 N589 V616 Q620 A621R585-A618 WeakPolarHBondContact CG-O 3.38Å; L588-A618 HydrophobicContact CB-CB 3.85Å; N589-A618 WeakPolarHBondContact OD1-CB 3.43Å; V616-A618 PolarHBondContact O-N 3.33Å; V616-A618 VanDerWaalsContact O-N 3.15Å; A618-Q620 PolarHBondContact O-N 2.96Å; A618-Q620 VanDerWaalsContact O-N 3.09Å; A618-A621 WeakPolarHBondContact O-CB 3.45Å; A618-A621 PolarHBondContact O-N 3.35Å
619D94.7Very high91.9Very high116 Ų11654.8 Ų54.862%0.6231%0.314SS*.G310 helixtrans-61.2-24.4-178.6-62.5-28000114R585 V617R585-D619 PolarHBondContact NE-O 3.41Å; R585-D619 PolarHBondContact NH2-O 3.2Å; V617-D619 VanDerWaalsContact C-N 3.29Å; V617-D619 PolarHBondContact O-N 2.85Å
620Q95.3Very high91.8Very high85 Ų8554.8 Ų54.840%0.39731%0.314SS..G310 helixtrans-90.9-5.9176.2-65-171.913.700113.1V617 A618 T634V617-Q620 HydrophobicContact CB-CB 4.49Å; V617-Q620 HydrophobicContact CG1-CB 4.16Å; V617-Q620 HydrophobicContact CG1-CG 3.82Å; V617-Q620 PolarHBondContact O-N 3.42Å; A618-Q620 PolarHBondContact O-N 2.96Å; A618-Q620 VanDerWaalsContact O-N 3.09Å; Q620-T634 PolarHBondContact OE1-OG1 3.16Å
621A95.6Very high91.8Very high0 Ų050.3 Ų50.30%028%0.283CS..  trans-68.3135.317600000110.6L584 R585 L588 A618 K632 L633L584-A621 HydrophobicContact CD2-CB 4.14Å; R585-A621 PolarHBondContact NE-O 3.22Å; R585-A621 PolarHBondContact NH2-O 2.94Å; L588-A621 HydrophobicContact CD1-CB 3.46Å; L588-A621 VanDerWaalsContact CD1-CB 3.46Å; A618-A621 WeakPolarHBondContact O-CB 3.45Å; A618-A621 PolarHBondContact O-N 3.35Å; A621-K632 VanDerWaalsContact CA-O 3.28Å; A621-K632 WeakPolarHBondContact CA-O 3.41Å; A621-L633 HydrophobicContact CB-CD2 4.2Å
622T95.9Very high91.8Very high43 Ų4351.7 Ų51.726%0.26429%0.287SS..EExtended strand (participates in β ladder)trans-144.7168178.174.50000111.2C631 K632T622-C631 CarbonylContact O-C 3.52Å; T622-C631 WeakPolarHBondContact O-CA 3.19Å; T622-C631 PolarHBondContact O-SG 3.33Å; T622-K632 PolarHBondContact N-O 3.31Å; T622-K632 PolarHBondContact O-N 3.3Å
623I93.7Very high91.9Very high6 Ų647 Ų473%0.03127%0.266CS..EExtended strand (participates in β ladder)trans-117127.9176.2-60.5169.4000108V570 R577 K580 V581 L584 A629V570-I623 HydrophobicContact CG1-CD1 3.57Å; R577-I623 PolarHBondContact NH1-O 3.27Å; K580-I623 HydrophobicContact CB-CD1 3.76Å; V581-I623 HydrophobicContact CG2-CB 3.9Å; V581-I623 HydrophobicContact CG2-CD1 4.05Å; V581-I623 HydrophobicContact CG2-CG1 3.91Å; L584-I623 HydrophobicContact CD2-CD1 4.31Å; L584-I623 HydrophobicContact CD2-CG1 3.9Å; I623-A629 HydrophobicContact CG2-CB 3.76Å
624F90.4Very high91.9Very high68 Ų6847 Ų4730%0.29827%0.267SS..  trans-69.4151.6177.3-74.1-82.9000111.4S626 P630 K632 I646 Y696F624-S626 VanDerWaalsContact C-N 3.26Å; F624-S626 PolarHBondContact O-N 2.79Å; F624-P630 HydrophobicContact CB-CG 3.94Å; F624-P630 HydrophobicContact CD2-CG 4.17Å; F624-P630 WeakPolarHBondContact CD2-O 3.4Å; F624-P630 HydrophobicContact CG-CG 4.42Å; F624-P630 PolarHBondContact N-O 3.08Å; F624-K632 HydrophobicContact CE2-CB 3.76Å; F624-K632 HydrophobicContact CE2-CG 4.48Å; F624-K632 HydrophobicContact CZ-CB 4.2Å; F624-K632 HydrophobicContact CZ-CD 4.47Å; F624-I646 HydrophobicContact CD2-CG2 4.21Å; F624-I646 HydrophobicContact CE2-CB 4.42Å; F624-I646 HydrophobicContact CE2-CD1 3.95Å; F624-I646 HydrophobicContact CE2-CG1 3.86Å; F624-I646 HydrophobicContact CE2-CG2 3.88Å; F624-I646 HydrophobicContact CZ-CD1 4Å; F624-I646 HydrophobicContact CZ-CG1 4.2Å; F624-Y696 HydrophobicContact CE1-CE2 4.43Å; F624-Y696 HydrophobicContact CZ-CD2 4.07Å; F624-Y696 AromaticContact CZ-CE2 3.9Å; F624-Y696 HydrophobicContact CZ-CE2 3.9Å
625N84.2Confident92Very high156 Ų15643 Ų4383%0.83425%0.248SC*.SBendtrans-82.371.2174.8-167.232000110.4
626S82.3Confident92.2Very high74 Ų7444.7 Ų44.752%0.51725%0.252SS..SBendtrans-138.1159178.8174.70000110.2F624 L628 A629F624-S626 VanDerWaalsContact C-N 3.26Å; F624-S626 PolarHBondContact O-N 2.79Å; S626-L628 VanDerWaalsContact C-N 3.29Å; S626-L628 PolarHBondContact O-N 2.91Å; S626-A629 PolarHBondContact O-N 3.47Å
627A78.3Confident92.2Very high105 Ų10545 Ų4587%0.86825%0.253SS*.THydrogen-bonded Turntrans-55.6-40.3-173.600000113.4A629A627-A629 VanDerWaalsContact C-N 3.31Å
628L83.6Confident92.1Very high82 Ų8248.6 Ų48.643%0.42927%0.272SS..THydrogen-bonded Turntrans-89.46.5178.9-62.5178000113.6S626 D651S626-L628 VanDerWaalsContact C-N 3.29Å; S626-L628 PolarHBondContact O-N 2.91Å; L628-D651 HydrophobicContact CD1-CB 3.83Å
629A85.1Confident92Very high29 Ų2955.3 Ų55.324%0.2431%0.307CS..  trans44.754.2176.600000114.5I623 S626 A627I623-A629 HydrophobicContact CG2-CB 3.76Å; S626-A629 PolarHBondContact O-N 3.47Å; A627-A629 VanDerWaalsContact C-N 3.31Å
630P92.7Very high91.8Very high13 Ų1352.4 Ų52.48%0.08431%0.305CS..PPolyproline II helixtrans-65.6149.4-178.927.8-30.7000111.2F624 I646 K648F624-P630 HydrophobicContact CB-CG 3.94Å; F624-P630 HydrophobicContact CD2-CG 4.17Å; F624-P630 WeakPolarHBondContact CD2-O 3.4Å; F624-P630 HydrophobicContact CG-CG 4.42Å; F624-P630 PolarHBondContact N-O 3.08Å; P630-I646 HydrophobicContact CB-CG2 3.9Å; P630-K648 HydrophobicContact CB-CB 4.49Å; P630-K648 HydrophobicContact CB-CG 3.83Å
631C94.7Very high91.7Very high0 Ų055.2 Ų55.20%032%0.317CS..EExtended strand (participates in β ladder)trans-103.8129.8-173176.70000111.2M567 L584 T622 L633 I646 F647M567-C631 HydrophobicContact CE-CB 3.74Å; M567-C631 HydrophobicContact SD-CB 3.59Å; M567-C631 VanDerWaalsContact SD-CB 3.59Å; L584-C631 WeakPolarHBondContact CD2-SG 3.47Å; T622-C631 CarbonylContact O-C 3.52Å; T622-C631 WeakPolarHBondContact O-CA 3.19Å; T622-C631 PolarHBondContact O-SG 3.33Å; C631-L633 WeakPolarHBondContact SG-CD2 3.44Å; C631-I646 CarbonylContact O-C 3.56Å; C631-I646 VanDerWaalsContact O-CA 3.31Å; C631-I646 WeakPolarHBondContact O-CA 3.46Å; C631-F647 PolarHBondContact N-O 3.33Å; C631-F647 PolarHBondContact O-N 2.71Å
632K96.7Very high91.8Very high48 Ų4859 Ų5921%0.20934%0.338CS..EExtended strand (participates in β ladder)trans-82.8119.4167.6-172.8-179.3-177.1177.80108.6A621 T622 F624 T644 T645 Y696A621-K632 VanDerWaalsContact CA-O 3.28Å; A621-K632 WeakPolarHBondContact CA-O 3.41Å; T622-K632 PolarHBondContact N-O 3.31Å; T622-K632 PolarHBondContact O-N 3.3Å; F624-K632 HydrophobicContact CE2-CB 3.76Å; F624-K632 HydrophobicContact CE2-CG 4.48Å; F624-K632 HydrophobicContact CZ-CB 4.2Å; F624-K632 HydrophobicContact CZ-CD 4.47Å; K632-T644 HydrophobicContact CD-CG2 4.24Å; K632-T644 HydrophobicContact CG-CG2 3.78Å; K632-T645 CarbonylContact C-O 3.16Å; K632-T645 WeakPolarHBondContact CA-O 3.47Å; K632-Y696 HydrophobicContact CD-CE2 4.38Å; K632-Y696 PolarHBondContact NZ-OH 3.18Å
633L96.9Very high91.8Very high2 Ų258.5 Ų58.51%0.0133%0.331CS..EExtended strand (participates in β ladder)trans-118.5124.7177.7-66.4176.3000110.1I563 L588 V616 A621 C631 F635 T645 F647I563-L633 HydrophobicContact CD1-CD1 4.1Å; I563-L633 HydrophobicContact CG2-CD1 4.08Å; L588-L633 HydrophobicContact CD1-CD2 3.89Å; L588-L633 HydrophobicContact CD2-CD2 4.4Å; V616-L633 HydrophobicContact CG1-CD2 4.44Å; A621-L633 HydrophobicContact CB-CD2 4.2Å; C631-L633 WeakPolarHBondContact SG-CD2 3.44Å; L633-F635 HydrophobicContact CB-CE2 4.17Å; L633-F635 HydrophobicContact CB-CZ 3.99Å; L633-F635 HydrophobicContact CD1-CZ 4.34Å; L633-T645 PolarHBondContact N-O 2.86Å; L633-T645 PolarHBondContact O-N 3.16Å; L633-T645 PolarHBondContact O-OG1 2.95Å; L633-F647 HydrophobicContact CD1-CB 3.98Å
634T97.1Very high92Very high2 Ų259.6 Ų59.61%0.01234%0.339CS..EExtended strand (participates in β ladder)trans-104.2132.2174.6-50.90000109.9V617 Q620 N642V617-T634 PolarHBondContact N-O 2.91Å; Q620-T634 PolarHBondContact OE1-OG1 3.16Å; T634-N642 HydrophobicContact CG2-CB 3.78Å
635F96.8Very high92.3Very high0 Ų056.4 Ų56.40%032%0.324CS..EExtended strand (participates in β ladder)trans-113.9138.9177.1-54.4-81.7000110.4F559 L605 I613 M615 V616 L633 N642 Y643 T645 F693F559-F635 HydrophobicContact CE2-CE1 4.08Å; F559-F635 AromaticContact CZ-CE1 3.66Å; F559-F635 HydrophobicContact CZ-CE1 3.66Å; F559-F635 AromaticContact CZ-CZ 3.9Å; F559-F635 HydrophobicContact CZ-CZ 3.9Å; L605-F635 HydrophobicContact CD1-CD2 4.31Å; L605-F635 HydrophobicContact CD1-CE2 3.95Å; L605-F635 HydrophobicContact CD1-CZ 4.2Å; I613-F635 HydrophobicContact CB-CB 4.1Å; I613-F635 HydrophobicContact CD1-CD1 3.89Å; I613-F635 HydrophobicContact CD1-CE1 4.16Å; I613-F635 HydrophobicContact CD1-CG 4.4Å; I613-F635 HydrophobicContact CG2-CB 3.57Å; I613-F635 HydrophobicContact CG2-CD1 4.42Å; I613-F635 HydrophobicContact CG2-CG 3.97Å; M615-F635 WeakPolarHBondContact O-CA 3.32Å; V616-F635 HydrophobicContact CG2-CD1 3.9Å; V616-F635 HydrophobicContact CG2-CE1 3.73Å; L633-F635 HydrophobicContact CB-CE2 4.17Å; L633-F635 HydrophobicContact CB-CZ 3.99Å; L633-F635 HydrophobicContact CD1-CZ 4.34Å; F635-N642 CarbonylContact O-C 3.52Å; F635-N642 WeakPolarHBondContact O-CA 3.45Å; F635-Y643 WeakPolarHBondContact CD2-O 3.2Å; F635-Y643 PolarHBondContact N-O 3.4Å; F635-Y643 PolarHBondContact O-N 3.22Å; F635-T645 HydrophobicContact CD2-CG2 4.22Å; F635-T645 HydrophobicContact CE2-CG2 3.8Å; F635-T645 VanDerWaalsContact CE2-OG1 3.31Å; F635-T645 WeakPolarHBondContact CE2-OG1 3.23Å; F635-F693 HydrophobicContact CZ-CE1 4.46Å
636R96.9Very high93Very high91 Ų9150.5 Ų50.534%0.34329%0.292SS..EExtended strand (participates in β ladder)trans-83.4126.7166.8-161.9154.5-56.2163.514.7109.1Q614 M615 V617Q614-R636 PolarHBondContact N-O 2.84Å; M615-R636 HydrophobicContact CG-CB 3.86Å; M615-R636 PolarHBondContact O-N 3.43Å; V617-R636 HydrophobicContact CG2-CB 4.21Å
637T95.5Very high93.7Very high9 Ų947 Ų476%0.05527%0.268CS..EExtended strand (participates in β ladder)trans-85.4164.1177.570.90000111V611 K612 D639 G640 Q641V611-T637 HydrophobicContact CG1-CG2 3.62Å; K612-T637 CarbonylContact O-C 3.53Å; K612-T637 VanDerWaalsContact O-CA 3.25Å; K612-T637 WeakPolarHBondContact O-CA 3.41Å; T637-D639 PolarHBondContact O-N 2.69Å; T637-D639 PolarHBondContact OG1-N 3.01Å; T637-G640 PolarHBondContact O-N 2.73Å; T637-Q641 PolarHBondContact N-O 3.37Å; T637-Q641 PolarHBondContact OG1-N 3.3Å; T637-Q641 PolarHBondContact OG1-O 3.17Å
638L93Very high94.5Very high87 Ų8743.8 Ų43.846%0.45523%0.234SC..THydrogen-bonded Turntrans-59.4-26.1173.8-71.1-179.6000113K612 Q614 G640K612-L638 HydrophobicContact CB-CD1 3.6Å; K612-L638 HydrophobicContact CB-CG 3.92Å; K612-L638 HydrophobicContact CD-CD1 3.75Å; K612-L638 HydrophobicContact CG-CD1 4.33Å; K612-L638 PolarHBondContact O-N 3.03Å; Q614-L638 HydrophobicContact CB-CD2 4.33Å; L638-G640 PolarHBondContact O-N 3.45Å
639D92.1Very high95Very high146 Ų14642.3 Ų42.378%0.78122%0.224SC*.THydrogen-bonded Turntrans-83.66.6178.9-47-43.8000112.3T637 Q641T637-D639 PolarHBondContact O-N 2.69Å; T637-D639 PolarHBondContact OG1-N 3.01Å; D639-Q641 VanDerWaalsContact C-N 3.26Å; D639-Q641 PolarHBondContact O-N 2.87Å
640G90.8Very high95.3Very high55 Ų5542.9 Ų42.957%0.56723%0.232SC*.SBendtrans79.8-1.1179.500000115.1T637 L638T637-G640 PolarHBondContact O-N 2.73Å; L638-G640 PolarHBondContact O-N 3.45Å
641Q94.2Very high95.1Very high143 Ų14344.2 Ų44.267%0.66824%0.238SC*.  trans-82.9160.3178.7-62.3-120.56.400111.6T637 D639T637-Q641 PolarHBondContact N-O 3.37Å; T637-Q641 PolarHBondContact OG1-N 3.3Å; T637-Q641 PolarHBondContact OG1-O 3.17Å; D639-Q641 VanDerWaalsContact C-N 3.26Å; D639-Q641 PolarHBondContact O-N 2.87Å
642N96Very high94.9Very high79 Ų7946 Ų4642%0.42225%0.248SC..EExtended strand (participates in β ladder)trans-96.8129.7172.1-72.1-28.4000109.9T634 F635T634-N642 HydrophobicContact CG2-CB 3.78Å; F635-N642 CarbonylContact O-C 3.52Å; F635-N642 WeakPolarHBondContact O-CA 3.45Å
643Y96.9Very high94.7Very high33 Ų3343.7 Ų43.713%0.12924%0.238CC..EExtended strand (participates in β ladder)trans-114.7120.9172.1-167.7-86.9000109.6L605 L607 V611 F635 T645L605-Y643 HydrophobicContact CD2-CD1 3.73Å; L605-Y643 HydrophobicContact CD2-CE1 3.59Å; L607-Y643 HydrophobicContact CD2-CE1 4.39Å; V611-Y643 HydrophobicContact CG1-CD1 4.45Å; V611-Y643 HydrophobicContact CG1-CD2 4.11Å; V611-Y643 HydrophobicContact CG1-CG 3.95Å; V611-Y643 HydrophobicContact CG2-CD2 3.87Å; V611-Y643 HydrophobicContact CG2-CE2 3.81Å; V611-Y643 HydrophobicContact CG2-CG 4.45Å; F635-Y643 WeakPolarHBondContact CD2-O 3.2Å; F635-Y643 PolarHBondContact N-O 3.4Å; F635-Y643 PolarHBondContact O-N 3.22Å; Y643-T645 HydrophobicContact CD1-CG2 3.92Å; Y643-T645 HydrophobicContact CE1-CG2 3.77Å
644T97.7Very high94.5Very high30 Ų3044.2 Ų44.218%0.18424%0.24CC..EExtended strand (participates in β ladder)trans-107.6138.2-172.2-50.60000111.2K632 Y696K632-T644 HydrophobicContact CD-CG2 4.24Å; K632-T644 HydrophobicContact CG-CG2 3.78Å; T644-Y696 HydrophobicContact CG2-CD1 3.62Å; T644-Y696 HydrophobicContact CG2-CE1 4.49Å; T644-Y696 HydrophobicContact CG2-CG 3.75Å; T644-Y696 WeakPolarHBondContact O-CB 3.41Å; T644-Y696 PolarHBondContact O-N 2.94Å; T644-Y696 VanDerWaalsContact O-N 3.11Å
645T97.7Very high94.1Very high0 Ų044.8 Ų44.80%024%0.242CC..EExtended strand (participates in β ladder)trans-132.5163.917868.50000111.1L605 L607 K632 L633 F635 Y643 V694L605-T645 HydrophobicContact CD2-CG2 3.99Å; L607-T645 HydrophobicContact CD2-CG2 3.78Å; K632-T645 CarbonylContact C-O 3.16Å; K632-T645 WeakPolarHBondContact CA-O 3.47Å; L633-T645 PolarHBondContact N-O 2.86Å; L633-T645 PolarHBondContact O-N 3.16Å; L633-T645 PolarHBondContact O-OG1 2.95Å; F635-T645 HydrophobicContact CD2-CG2 4.22Å; F635-T645 HydrophobicContact CE2-CG2 3.8Å; F635-T645 VanDerWaalsContact CE2-OG1 3.31Å; F635-T645 WeakPolarHBondContact CE2-OG1 3.23Å; Y643-T645 HydrophobicContact CD1-CG2 3.92Å; Y643-T645 HydrophobicContact CE1-CG2 3.77Å; T645-V694 CarbonylContact C-O 3.6Å; T645-V694 WeakPolarHBondContact CA-O 3.35Å
646I97.2Very high93.9Very high32 Ų3245.3 Ų45.316%0.16425%0.245CC..EExtended strand (participates in β ladder)trans-111.7121166.3-49.4178.4000106.7F624 P630 C631 K648 F693 V694 Y696F624-I646 HydrophobicContact CD2-CG2 4.21Å; F624-I646 HydrophobicContact CE2-CB 4.42Å; F624-I646 HydrophobicContact CE2-CD1 3.95Å; F624-I646 HydrophobicContact CE2-CG1 3.86Å; F624-I646 HydrophobicContact CE2-CG2 3.88Å; F624-I646 HydrophobicContact CZ-CD1 4Å; F624-I646 HydrophobicContact CZ-CG1 4.2Å; P630-I646 HydrophobicContact CB-CG2 3.9Å; C631-I646 CarbonylContact O-C 3.56Å; C631-I646 VanDerWaalsContact O-CA 3.31Å; C631-I646 WeakPolarHBondContact O-CA 3.46Å; I646-K648 HydrophobicContact CG2-CG 4.29Å; I646-F693 CarbonylContact O-C 3.56Å; I646-F693 WeakPolarHBondContact O-CA 3.2Å; I646-V694 HydrophobicContact CB-CB 4.27Å; I646-V694 PolarHBondContact N-O 3.2Å; I646-V694 PolarHBondContact O-N 2.89Å; I646-Y696 HydrophobicContact CD1-CD2 4Å; I646-Y696 HydrophobicContact CG1-CD2 3.96Å
647F97.4Very high93.8Very high0 Ų041.7 Ų41.70%023%0.232CC..EExtended strand (participates in β ladder)trans-97.4119.1169.9-173.4-97.1000109.3I563 V564 M567 C631 L633 H691 G692 F693I563-F647 HydrophobicContact CG2-CD1 3.7Å; I563-F647 HydrophobicContact CG2-CD2 3.95Å; I563-F647 HydrophobicContact CG2-CE1 3.71Å; I563-F647 HydrophobicContact CG2-CE2 3.96Å; I563-F647 HydrophobicContact CG2-CG 3.8Å; I563-F647 HydrophobicContact CG2-CZ 3.84Å; V564-F647 HydrophobicContact CG2-CZ 3.82Å; M567-F647 HydrophobicContact CB-CE1 4.27Å; M567-F647 HydrophobicContact CG-CD1 3.68Å; M567-F647 HydrophobicContact CG-CE1 3.77Å; C631-F647 PolarHBondContact N-O 3.33Å; C631-F647 PolarHBondContact O-N 2.71Å; L633-F647 HydrophobicContact CD1-CB 3.98Å; F647-H691 HydrophobicContact CE1-CB 4.39Å; F647-H691 HydrophobicContact CZ-CB 3.91Å; F647-G692 WeakPolarHBondContact CD2-O 3.48Å; F647-F693 HydrophobicContact CB-CD1 4.37Å; F647-F693 HydrophobicContact CB-CE1 4.27Å; F647-F693 AromaticContact CD2-CD1 3.81Å; F647-F693 HydrophobicContact CD2-CD1 3.81Å; F647-F693 AromaticContact CD2-CD2 3.95Å; F647-F693 HydrophobicContact CD2-CD2 3.95Å; F647-F693 AromaticContact CD2-CE1 3.52Å; F647-F693 HydrophobicContact CD2-CE1 3.52Å; F647-F693 AromaticContact CD2-CE2 3.65Å; F647-F693 HydrophobicContact CD2-CE2 3.65Å; F647-F693 HydrophobicContact CD2-CG 4.03Å; F647-F693 AromaticContact CD2-CZ 3.42Å; F647-F693 HydrophobicContact CD2-CZ 3.42Å; F647-F693 VanDerWaalsContact CD2-CZ 3.42Å; F647-F693 HydrophobicContact CE2-CD2 4.16Å; F647-F693 HydrophobicContact CE2-CE1 4.32Å; F647-F693 AromaticContact CE2-CE2 3.66Å; F647-F693 HydrophobicContact CE2-CE2 3.66Å; F647-F693 AromaticContact CE2-CZ 3.76Å; F647-F693 HydrophobicContact CE2-CZ 3.76Å; F647-F693 HydrophobicContact CG-CE1 4.3Å; F647-F693 HydrophobicContact CG-CZ 4.49Å
648K95.5Very high93.6Very high38 Ų3841.3 Ų41.317%0.16523%0.23CC..EExtended strand (participates in β ladder)trans-102.2129.3177.7-67.1-179.3149-157.40109.3P630 I646 D651 L653 H691 G692 V694P630-K648 HydrophobicContact CB-CB 4.49Å; P630-K648 HydrophobicContact CB-CG 3.83Å; I646-K648 HydrophobicContact CG2-CG 4.29Å; K648-D651 HydrophobicContact CB-CB 4.21Å; K648-D651 WeakPolarHBondContact CD-OD2 3.13Å; K648-D651 IonicContact NZ-OD2 2.72Å; K648-D651 PolarHBondContact NZ-OD2 3.36Å; K648-L653 HydrophobicContact CB-CD1 4.19Å; K648-L653 HydrophobicContact CD-CD1 4.11Å; K648-L653 HydrophobicContact CD-CD2 3.45Å; K648-L653 VanDerWaalsContact CD-CD2 3.45Å; K648-L653 HydrophobicContact CD-CG 4.25Å; K648-H691 WeakPolarHBondContact O-CA 3.39Å; K648-H691 VanDerWaalsContact O-CB 3.23Å; K648-H691 WeakPolarHBondContact O-CB 3.4Å; K648-G692 PolarHBondContact N-O 3.36Å; K648-G692 PolarHBondContact O-N 3.07Å; K648-G692 VanDerWaalsContact O-N 3.1Å; K648-V694 HydrophobicContact CD-CG2 4.33Å
649Y94.2Very high93.6Very high52 Ų5237.1 Ų37.120%0.20421%0.208CC..EExtended strand (participates in β ladder)trans-122.7130.3177.1-179.9-92.2000109.4V564 M567 R568 V571 H691V564-Y649 HydrophobicContact CG1-CE2 4.01Å; M567-Y649 HydrophobicContact CB-CD2 4.34Å; M567-Y649 HydrophobicContact CB-CG 4.15Å; R568-Y649 PolarHBondContact NE-OH 2.97Å; V571-Y649 HydrophobicContact CG2-CD1 4.08Å; Y649-H691 HydrophobicContact CD2-CB 4.22Å
650G91Very high93.7Very high41 Ų4130.6 Ų30.642%0.42317%0.173SC..SBendtrans89.513.1-170.900000115.1N690G650-N690 WeakPolarHBondContact CA-O 3.39Å; G650-N690 PolarHBondContact N-O 2.67Å
651D89.6Confident93.9Very high40 Ų4029 Ų2921%0.21415%0.151CC..  trans-128.7140.3-173.8-158.38.8000111.2L628 K648 N690 H691L628-D651 HydrophobicContact CD1-CB 3.83Å; K648-D651 HydrophobicContact CB-CB 4.21Å; K648-D651 WeakPolarHBondContact CD-OD2 3.13Å; K648-D651 IonicContact NZ-OD2 2.72Å; K648-D651 PolarHBondContact NZ-OD2 3.36Å; D651-N690 PolarHBondContact N-O 3.19Å; D651-N690 VanDerWaalsContact N-O 3.13Å; D651-N690 CarbonylContact O-C 3.58Å; D651-N690 WeakPolarHBondContact O-CA 3.48Å; D651-H691 PolarHBondContact O-N 3.01Å
652D90.4Very high93.8Very high37 Ų3722.3 Ų22.320%0.19812%0.119CC..  trans-94.7100.8176.5-173.1-6.1000110.6R654 I689D652-R654 VanDerWaalsContact C-N 3.31Å; D652-R654 PolarHBondContact O-N 3.44Å; D652-R654 WeakPolarHBondContact OD1-CB 3.19Å; D652-R654 VanDerWaalsContact OD1-CG 3.22Å; D652-R654 WeakPolarHBondContact OD1-CG 3.44Å; D652-R654 IonicContact OD1-CZ 3.92Å; D652-R654 PolarHBondContact OD1-N 3.42Å; D652-R654 IonicContact OD1-NE 3.92Å; D652-R654 PolarHBondContact OD1-NE 3.09Å; D652-R654 IonicContact OD2-CZ 2.78Å; D652-R654 VanDerWaalsContact OD2-CZ 3.28Å; D652-R654 IonicContact OD2-NE 3.53Å; D652-R654 PolarHBondContact OD2-NE 2.99Å; D652-R654 IonicContact OD2-NH2 3.51Å; D652-R654 PolarHBondContact OD2-NH2 3.42Å; D652-I689 WeakPolarHBondContact CA-O 3.25Å; D652-I689 VanDerWaalsContact CB-O 3.29Å; D652-I689 WeakPolarHBondContact CB-O 3.47Å
653L92.5Very high93.8Very high0 Ų018.6 Ų18.60%010%0.099CC..THydrogen-bonded Turntrans-85.14.5-175.9-63.6175.1000115.1K648 Q655 D656 Q657 V684 V694K648-L653 HydrophobicContact CB-CD1 4.19Å; K648-L653 HydrophobicContact CD-CD1 4.11Å; K648-L653 HydrophobicContact CD-CD2 3.45Å; K648-L653 VanDerWaalsContact CD-CD2 3.45Å; K648-L653 HydrophobicContact CD-CG 4.25Å; L653-Q655 PolarHBondContact O-N 2.93Å; L653-D656 PolarHBondContact O-N 3.3Å; L653-Q657 WeakPolarHBondContact O-CB 3.39Å; L653-Q657 PolarHBondContact O-N 3.23Å; L653-V684 HydrophobicContact CB-CG1 4.17Å; L653-V694 HydrophobicContact CD1-CG2 3.97Å; L653-V694 HydrophobicContact CD2-CG2 4.38Å
654R91.4Very high93.8Very high13 Ų1319.1 Ų19.15%0.04911%0.106CC..Hα-helixtrans-64.2-33.6-178.5-66.5178-65.3161.53.8112.2V498 E499 C502 D652 L658 T839 I840V498-R654 HydrophobicContact CG1-CG 4.1Å; E499-R654 IonicContact OE1-NH1 3.87Å; C502-R654 PolarHBondContact SG-NH1 3.2Å; C502-R654 VanDerWaalsContact SG-NH1 3.41Å; D652-R654 VanDerWaalsContact C-N 3.31Å; D652-R654 PolarHBondContact O-N 3.44Å; D652-R654 WeakPolarHBondContact OD1-CB 3.19Å; D652-R654 VanDerWaalsContact OD1-CG 3.22Å; D652-R654 WeakPolarHBondContact OD1-CG 3.44Å; D652-R654 IonicContact OD1-CZ 3.92Å; D652-R654 PolarHBondContact OD1-N 3.42Å; D652-R654 IonicContact OD1-NE 3.92Å; D652-R654 PolarHBondContact OD1-NE 3.09Å; D652-R654 IonicContact OD2-CZ 2.78Å; D652-R654 VanDerWaalsContact OD2-CZ 3.28Å; D652-R654 IonicContact OD2-NE 3.53Å; D652-R654 PolarHBondContact OD2-NE 2.99Å; D652-R654 IonicContact OD2-NH2 3.51Å; D652-R654 PolarHBondContact OD2-NH2 3.42Å; R654-L658 PolarHBondContact O-N 3.26Å; R654-T839 PolarHBondContact NH1-OG1 2.84Å; R654-T839 PolarHBondContact NH2-O 3.27Å; R654-I840 HydrophobicContact CB-CD1 3.85Å; R654-I840 HydrophobicContact CB-CG1 3.88Å; R654-I840 HydrophobicContact CB-CG2 4.29Å
655Q89.4Confident93.7Very high14 Ų1417.9 Ų17.97%0.06510%0.099CC..Hα-helixtrans-66.6-53.5176.3-174.2172.4-20.700111.2L653 Q657 L658 I659 F774 G775 I777 I840L653-Q655 PolarHBondContact O-N 2.93Å; Q655-Q657 VanDerWaalsContact C-N 3.25Å; Q655-Q657 PolarHBondContact O-N 2.93Å; Q655-L658 PolarHBondContact O-N 3.49Å; Q655-I659 WeakPolarHBondContact O-CG1 3.38Å; Q655-I659 PolarHBondContact O-N 3.13Å; Q655-F774 PolarHBondContact NE2-O 2.84Å; Q655-G775 VanDerWaalsContact NE2-C 3.25Å; Q655-G775 PolarHBondContact NE2-O 3.25Å; Q655-I777 HydrophobicContact CG-CD1 3.71Å; Q655-I777 HydrophobicContact CG-CG1 4.32Å; Q655-I777 HydrophobicContact CG-CG2 4.44Å; Q655-I840 HydrophobicContact CB-CG2 4.11Å
656D92.5Very high93.7Very high12 Ų1217.9 Ų17.96%0.06410%0.099CC..Hα-helixtrans-56.7-41.6174.3-65-108.6000111.9L653 L658 I659 I660 V684 F774L653-D656 PolarHBondContact O-N 3.3Å; D656-L658 PolarHBondContact O-N 2.96Å; D656-I659 PolarHBondContact O-N 2.93Å; D656-I660 WeakPolarHBondContact O-CB 3.38Å; D656-I660 WeakPolarHBondContact O-CG1 3.14Å; D656-I660 PolarHBondContact O-N 3.28Å; D656-V684 HydrophobicContact CB-CG1 4.34Å; D656-F774 HydrophobicContact CB-CD2 4.26Å; D656-F774 PolarHBondContact OD1-N 2.89Å
657Q93.9Very high93.7Very high15 Ų1517 Ų177%0.079%0.094CC..Hα-helixtrans-61.2-44.3178.1-175.8178.2-16.500112F495 L653 Q655 Q661 V684F495-Q657 VanDerWaalsContact CZ-NE2 3.27Å; L653-Q657 WeakPolarHBondContact O-CB 3.39Å; L653-Q657 PolarHBondContact O-N 3.23Å; Q655-Q657 VanDerWaalsContact C-N 3.25Å; Q655-Q657 PolarHBondContact O-N 2.93Å; Q657-Q661 VanDerWaalsContact O-CB 3.3Å; Q657-Q661 WeakPolarHBondContact O-CB 3.08Å; Q657-Q661 PolarHBondContact O-N 3.06Å; Q657-V684 HydrophobicContact CB-CB 4.33Å; Q657-V684 HydrophobicContact CB-CG1 3.9Å
658L91.9Very high93.6Very high0 Ų019.4 Ų19.40%011%0.105CC..Hα-helixtrans-62.7-45.8175.8176.666.9000111.4L411 R654 Q655 D656 Q661 M662 F832 M835 I843L411-L658 HydrophobicContact CD2-CB 4.29Å; L411-L658 HydrophobicContact CD2-CD1 4.06Å; R654-L658 PolarHBondContact O-N 3.26Å; Q655-L658 PolarHBondContact O-N 3.49Å; D656-L658 PolarHBondContact O-N 2.96Å; L658-Q661 WeakPolarHBondContact O-CB 3.15Å; L658-Q661 PolarHBondContact O-N 2.93Å; L658-M662 HydrophobicContact CD1-CE 3.69Å; L658-M662 WeakPolarHBondContact O-CG 3.33Å; L658-M662 PolarHBondContact O-N 2.97Å; L658-F832 HydrophobicContact CD2-CE1 4.43Å; L658-M835 HydrophobicContact CD1-CE 4.41Å; L658-M835 HydrophobicContact CD1-CG 4.13Å; L658-M835 HydrophobicContact CD2-CE 4.46Å; L658-M835 HydrophobicContact CD2-CG 4.44Å; L658-I843 HydrophobicContact CD2-CD1 3.24Å; L658-I843 HydrophobicContact CD2-CG1 4.45Å
659I92.5Very high93.6Very high0 Ų018.1 Ų18.10%010%0.1CC..Hα-helixtrans-63.6-45.7-179.6-63.7-57.8000110.8Q655 D656 Q661 M662 V663 L751 I753 F774 I777Q655-I659 WeakPolarHBondContact O-CG1 3.38Å; Q655-I659 PolarHBondContact O-N 3.13Å; D656-I659 PolarHBondContact O-N 2.93Å; I659-Q661 VanDerWaalsContact C-N 3.31Å; I659-Q661 PolarHBondContact O-N 3.19Å; I659-M662 WeakPolarHBondContact O-CA 3.31Å; I659-M662 WeakPolarHBondContact O-CB 3.35Å; I659-M662 PolarHBondContact O-N 3.01Å; I659-M662 VanDerWaalsContact O-N 3.08Å; I659-V663 HydrophobicContact CG2-CG2 4.35Å; I659-V663 WeakPolarHBondContact O-CG2 3.27Å; I659-V663 PolarHBondContact O-N 3.12Å; I659-L751 HydrophobicContact CD1-CD1 4.49Å; I659-L751 HydrophobicContact CG2-CD1 4.26Å; I659-I753 HydrophobicContact CG2-CD1 3.82Å; I659-F774 HydrophobicContact CB-CB 4.22Å; I659-F774 HydrophobicContact CB-CD1 4.39Å; I659-F774 HydrophobicContact CB-CD2 4Å; I659-F774 HydrophobicContact CB-CE2 4.47Å; I659-F774 HydrophobicContact CB-CG 3.94Å; I659-F774 HydrophobicContact CG1-CB 3.99Å; I659-F774 HydrophobicContact CG1-CG 4.22Å; I659-F774 HydrophobicContact CG2-CB 4.38Å; I659-F774 HydrophobicContact CG2-CD1 3.66Å; I659-F774 HydrophobicContact CG2-CD2 3.88Å; I659-F774 HydrophobicContact CG2-CE1 3.79Å; I659-F774 HydrophobicContact CG2-CE2 3.99Å; I659-F774 HydrophobicContact CG2-CG 3.7Å; I659-F774 HydrophobicContact CG2-CZ 3.95Å; I659-I777 HydrophobicContact CD1-CB 4.2Å; I659-I777 HydrophobicContact CD1-CD1 4.15Å; I659-I777 HydrophobicContact CD1-CG2 3.77Å; I659-I777 HydrophobicContact CG1-CG2 3.74Å
660I95Very high93.8Very high8 Ų815.7 Ų15.74%0.0419%0.09CC..Hα-helixtrans-63.6-36.9177-75.3-55.2000112.3D656 M662 V663 T664 Y682 V684 F774D656-I660 WeakPolarHBondContact O-CB 3.38Å; D656-I660 WeakPolarHBondContact O-CG1 3.14Å; D656-I660 PolarHBondContact O-N 3.28Å; I660-M662 VanDerWaalsContact C-N 3.31Å; I660-M662 PolarHBondContact O-N 3.24Å; I660-V663 PolarHBondContact O-N 3.03Å; I660-T664 WeakPolarHBondContact O-CB 3.41Å; I660-T664 PolarHBondContact O-N 3.12Å; I660-T664 PolarHBondContact O-OG1 3.07Å; I660-Y682 HydrophobicContact CD1-CD1 4.08Å; I660-Y682 HydrophobicContact CD1-CD2 4.48Å; I660-Y682 HydrophobicContact CD1-CE1 3.58Å; I660-Y682 HydrophobicContact CD1-CE2 4.03Å; I660-Y682 HydrophobicContact CG1-CD2 4.5Å; I660-Y682 HydrophobicContact CG1-CE1 4.39Å; I660-Y682 HydrophobicContact CG1-CE2 3.93Å; I660-Y682 WeakPolarHBondContact CG2-O 3.35Å; I660-V684 HydrophobicContact CB-CG2 4.27Å; I660-V684 HydrophobicContact CG1-CG2 3.91Å; I660-V684 HydrophobicContact CG2-CG2 4.28Å; I660-F774 HydrophobicContact CD1-CE2 3.62Å; I660-F774 HydrophobicContact CD1-CZ 4.1Å; I660-F774 HydrophobicContact CG1-CD2 4.48Å; I660-F774 HydrophobicContact CG1-CE2 3.84Å
661Q94.2Very high94Very high23 Ų2318.5 Ų18.511%0.1079%0.088CC..Hα-helixtrans-58.9-44.3171.4-175.6-167.225.600110.8L408 Q657 L658 I659 T664 L665L408-Q661 PolarHBondContact O-NE2 3.48Å; Q657-Q661 VanDerWaalsContact O-CB 3.3Å; Q657-Q661 WeakPolarHBondContact O-CB 3.08Å; Q657-Q661 PolarHBondContact O-N 3.06Å; L658-Q661 WeakPolarHBondContact O-CB 3.15Å; L658-Q661 PolarHBondContact O-N 2.93Å; I659-Q661 VanDerWaalsContact C-N 3.31Å; I659-Q661 PolarHBondContact O-N 3.19Å; Q661-T664 WeakPolarHBondContact O-CB 3.1Å; Q661-T664 PolarHBondContact O-N 3.42Å; Q661-L665 PolarHBondContact O-N 3.21Å
662M93.8Very high94.2Very high1 Ų122.1 Ų22.11%0.00510%0.104CC..Hα-helixtrans-64-43.4175.6-65.3-62.716800112.4L658 I659 I660 T664 L665 M666 L751 F828 L831 F832L658-M662 HydrophobicContact CD1-CE 3.69Å; L658-M662 WeakPolarHBondContact O-CG 3.33Å; L658-M662 PolarHBondContact O-N 2.97Å; I659-M662 WeakPolarHBondContact O-CA 3.31Å; I659-M662 WeakPolarHBondContact O-CB 3.35Å; I659-M662 PolarHBondContact O-N 3.01Å; I659-M662 VanDerWaalsContact O-N 3.08Å; I660-M662 VanDerWaalsContact C-N 3.31Å; I660-M662 PolarHBondContact O-N 3.24Å; M662-T664 VanDerWaalsContact C-N 3.29Å; M662-T664 PolarHBondContact O-N 3.37Å; M662-L665 PolarHBondContact O-N 2.81Å; M662-M666 WeakPolarHBondContact O-CB 3.44Å; M662-M666 VanDerWaalsContact O-CG 3.25Å; M662-M666 WeakPolarHBondContact O-CG 3.39Å; M662-M666 PolarHBondContact O-N 3.26Å; M662-L751 HydrophobicContact CB-CD1 3.97Å; M662-L751 HydrophobicContact CB-CD2 4.35Å; M662-F828 HydrophobicContact SD-CD1 4.27Å; M662-L831 HydrophobicContact CE-CB 3.75Å; M662-L831 HydrophobicContact CE-CD1 4.25Å; M662-L831 HydrophobicContact SD-CD1 4.23Å; M662-F832 HydrophobicContact CE-CD1 4.31Å; M662-F832 HydrophobicContact CE-CE1 3.92Å; M662-F832 HydrophobicContact CE-CZ 4.01Å; M662-F832 HydrophobicContact CG-CE1 4.36Å; M662-F832 HydrophobicContact CG-CZ 3.96Å; M662-F832 HydrophobicContact SD-CZ 4.11Å
663V95.8Very high94.4Very high1 Ų124.4 Ų24.41%0.00611%0.113CC..Hα-helixtrans-59.8-42.8175.5176.40000110.6I659 I660 M666 D667 P681 Y744 I747I659-V663 HydrophobicContact CG2-CG2 4.35Å; I659-V663 WeakPolarHBondContact O-CG2 3.27Å; I659-V663 PolarHBondContact O-N 3.12Å; I660-V663 PolarHBondContact O-N 3.03Å; V663-M666 PolarHBondContact O-N 2.82Å; V663-D667 WeakPolarHBondContact O-CB 3.48Å; V663-D667 PolarHBondContact O-N 3.44Å; V663-P681 HydrophobicContact CG1-CB 4.37Å; V663-Y744 HydrophobicContact CG1-CE1 4.24Å; V663-I747 HydrophobicContact CG1-CD1 4.34Å; V663-I747 HydrophobicContact CG2-CG2 3.95Å
664T96.8Very high94.6Very high45 Ų4531.9 Ų31.928%0.27615%0.153SC..Hα-helixtrans-63-42.8177.9-51.80000111.2L408 I660 Q661 M662 K668 P681L408-T664 HydrophobicContact CD2-CG2 3.78Å; I660-T664 WeakPolarHBondContact O-CB 3.41Å; I660-T664 PolarHBondContact O-N 3.12Å; I660-T664 PolarHBondContact O-OG1 3.07Å; Q661-T664 WeakPolarHBondContact O-CB 3.1Å; Q661-T664 PolarHBondContact O-N 3.42Å; M662-T664 VanDerWaalsContact C-N 3.29Å; M662-T664 PolarHBondContact O-N 3.37Å; T664-K668 PolarHBondContact O-N 3.44Å; T664-P681 HydrophobicContact CG2-CB 4.41Å; T664-P681 WeakPolarHBondContact OG1-CB 3.39Å
665L95.9Very high94.8Very high4 Ų432.1 Ų32.12%0.02116%0.155CC..Hα-helixtrans-64.4-46.8175.617761.3000111.6L408 Y409 Q661 M662 D667 K668 L669 L827 F828 L831L408-L665 HydrophobicContact CD1-CD1 4.05Å; Y409-L665 HydrophobicContact CE1-CD1 4.05Å; Y409-L665 HydrophobicContact CE1-CD2 4.13Å; Q661-L665 PolarHBondContact O-N 3.21Å; M662-L665 PolarHBondContact O-N 2.81Å; L665-D667 VanDerWaalsContact C-N 3.35Å; L665-D667 PolarHBondContact O-N 3.36Å; L665-K668 PolarHBondContact O-N 2.87Å; L665-L669 HydrophobicContact CD1-CD1 4.17Å; L665-L669 HydrophobicContact CD1-CG 4.26Å; L665-L669 HydrophobicContact CG-CD1 4.05Å; L665-L669 WeakPolarHBondContact O-CG 3.33Å; L665-L669 PolarHBondContact O-N 2.86Å; L665-L827 HydrophobicContact CD1-CD2 4.24Å; L665-L827 HydrophobicContact CD2-CD2 4.03Å; L665-L827 HydrophobicContact CD2-CG 4.26Å; L665-F828 HydrophobicContact CD2-CD1 4.18Å; L665-F828 HydrophobicContact CD2-CE1 3.85Å; L665-F828 HydrophobicContact CG-CE1 4.07Å; L665-L831 HydrophobicContact CD2-CD1 3.36Å
666M96.8Very high95.2Very high0 Ų033 Ų330%016%0.16CC..Hα-helixtrans-59.3-44.4177.3-72.8177.1170.700111.5M662 V663 K668 L669 L670 I747 L751 L821 F828M662-M666 WeakPolarHBondContact O-CB 3.44Å; M662-M666 VanDerWaalsContact O-CG 3.25Å; M662-M666 WeakPolarHBondContact O-CG 3.39Å; M662-M666 PolarHBondContact O-N 3.26Å; V663-M666 PolarHBondContact O-N 2.82Å; M666-K668 VanDerWaalsContact C-N 3.35Å; M666-K668 PolarHBondContact O-N 3.39Å; M666-L669 PolarHBondContact O-N 3.25Å; M666-L670 WeakPolarHBondContact O-CB 3.24Å; M666-L670 WeakPolarHBondContact O-CD1 3.45Å; M666-L670 WeakPolarHBondContact O-CG 3.35Å; M666-L670 PolarHBondContact O-N 3.1Å; M666-I747 HydrophobicContact CB-CD1 4.21Å; M666-I747 HydrophobicContact SD-CB 4.29Å; M666-I747 HydrophobicContact SD-CD1 4.25Å; M666-I747 HydrophobicContact SD-CG1 3.72Å; M666-I747 HydrophobicContact SD-CG2 4Å; M666-L751 HydrophobicContact CE-CD1 4.41Å; M666-L751 HydrophobicContact CE-CD2 3.68Å; M666-L751 HydrophobicContact CE-CG 3.98Å; M666-L751 HydrophobicContact SD-CD1 4.35Å; M666-L751 HydrophobicContact SD-CG 4.42Å; M666-L821 HydrophobicContact CB-CD1 4.49Å; M666-L821 HydrophobicContact CB-CD2 3.84Å; M666-L821 HydrophobicContact CG-CD1 4.35Å; M666-L821 HydrophobicContact CG-CD2 3.83Å; M666-L821 HydrophobicContact SD-CD1 4.23Å; M666-F828 HydrophobicContact CE-CD1 3.99Å; M666-F828 HydrophobicContact CE-CD2 4.43Å; M666-F828 HydrophobicContact CE-CE1 3.78Å; M666-F828 HydrophobicContact CE-CE2 4.24Å; M666-F828 HydrophobicContact CE-CG 4.32Å; M666-F828 HydrophobicContact CE-CZ 3.91Å; M666-F828 HydrophobicContact CG-CE1 3.53Å; M666-F828 HydrophobicContact CG-CZ 3.49Å; M666-F828 VanDerWaalsContact CG-CZ 3.49Å
667D97.2Very high95.5Very high13 Ų1332.5 Ų32.57%0.0716%0.157CC..Hα-helixtrans-60-44.1174.9-171.459.1000111.5V663 L665 L669 L670 R671 L679V663-D667 WeakPolarHBondContact O-CB 3.48Å; V663-D667 PolarHBondContact O-N 3.44Å; L665-D667 VanDerWaalsContact C-N 3.35Å; L665-D667 PolarHBondContact O-N 3.36Å; D667-L669 PolarHBondContact O-N 3.27Å; D667-L670 PolarHBondContact O-N 3.33Å; D667-R671 WeakPolarHBondContact O-CB 3.36Å; D667-R671 VanDerWaalsContact O-CG 3.27Å; D667-R671 WeakPolarHBondContact O-CG 3.14Å; D667-R671 PolarHBondContact O-N 2.88Å; D667-R671 IonicContact OD1-CZ 3.03Å; D667-R671 IonicContact OD1-NE 2.77Å; D667-R671 IonicContact OD1-NH2 3.35Å; D667-R671 PolarHBondContact OD1-NH2 3.26Å; D667-R671 IonicContact OD2-CZ 2.72Å; D667-R671 IonicContact OD2-NE 3.55Å; D667-R671 PolarHBondContact OD2-NE 3.02Å; D667-R671 IonicContact OD2-NH2 2.97Å; D667-R671 PolarHBondContact OD2-NH2 2.8Å; D667-L679 HydrophobicContact CB-CB 4.4Å; D667-L679 HydrophobicContact CB-CD1 3.85Å
668K95.9Very high95.6Very high51 Ų5135.1 Ų35.122%0.22217%0.167CC..Hα-helixtrans-61.6-45177.7-173.1171.7-175.91630112E404 L408 T664 L665 M666 R671 Q672E404-K668 IonicContact OE2-NZ 2.98Å; E404-K668 PolarHBondContact OE2-NZ 2.68Å; L408-K668 HydrophobicContact CD1-CD 3.55Å; T664-K668 PolarHBondContact O-N 3.44Å; L665-K668 PolarHBondContact O-N 2.87Å; M666-K668 VanDerWaalsContact C-N 3.35Å; M666-K668 PolarHBondContact O-N 3.39Å; K668-R671 PolarHBondContact O-N 3.3Å; K668-Q672 WeakPolarHBondContact O-CG 3.47Å; K668-Q672 PolarHBondContact O-N 2.84Å
669L95.3Very high95.9Very high11 Ų1135.3 Ų35.36%0.05817%0.168CC..Hα-helixtrans-65-42.8179-68.2168.5000111.7L665 M666 D667 R671 Q672 E673 H824 L827 F828L665-L669 HydrophobicContact CD1-CD1 4.17Å; L665-L669 HydrophobicContact CD1-CG 4.26Å; L665-L669 HydrophobicContact CG-CD1 4.05Å; L665-L669 WeakPolarHBondContact O-CG 3.33Å; L665-L669 PolarHBondContact O-N 2.86Å; M666-L669 PolarHBondContact O-N 3.25Å; D667-L669 PolarHBondContact O-N 3.27Å; L669-R671 PolarHBondContact O-N 2.87Å; L669-Q672 WeakPolarHBondContact O-CB 3.49Å; L669-Q672 PolarHBondContact O-N 3.31Å; L669-E673 PolarHBondContact O-N 3.38Å; L669-H824 HydrophobicContact CD1-CB 4Å; L669-L827 HydrophobicContact CD1-CD2 4.22Å; L669-F828 HydrophobicContact CD1-CE1 4.16Å; L669-F828 HydrophobicContact CD1-CE2 4.31Å; L669-F828 HydrophobicContact CD1-CZ 3.55Å
670L97Very high96.1Very high0 Ų036 Ų360%017%0.172CC..Hα-helixtrans-63.3-41.6176.5-70.4163.5000111.7M666 D667 Q672 E673 N674 L675 L677 L679 A817 H820 L821M666-L670 WeakPolarHBondContact O-CB 3.24Å; M666-L670 WeakPolarHBondContact O-CD1 3.45Å; M666-L670 WeakPolarHBondContact O-CG 3.35Å; M666-L670 PolarHBondContact O-N 3.1Å; D667-L670 PolarHBondContact O-N 3.33Å; L670-Q672 VanDerWaalsContact C-N 3.33Å; L670-Q672 PolarHBondContact O-N 3.18Å; L670-E673 CarbonylContact O-C 3.57Å; L670-E673 PolarHBondContact O-N 2.85Å; L670-N674 PolarHBondContact O-N 3.14Å; L670-L675 CarbonylContact C-O 3.52Å; L670-L675 WeakPolarHBondContact CB-O 3.4Å; L670-L675 HydrophobicContact CD2-CD2 3.92Å; L670-L675 WeakPolarHBondContact O-CA 3.38Å; L670-L675 PolarHBondContact O-N 3.01Å; L670-L677 HydrophobicContact CD1-CD1 3.62Å; L670-L677 HydrophobicContact CD1-CG 4.37Å; L670-L677 HydrophobicContact CD2-CD1 4.46Å; L670-L679 HydrophobicContact CD1-CD1 4.49Å; L670-A817 HydrophobicContact CD2-CB 4.15Å; L670-H820 HydrophobicContact CD2-CB 4.01Å; L670-L821 HydrophobicContact CD1-CD1 4.38Å; L670-L821 HydrophobicContact CD1-CD2 4.2Å; L670-L821 HydrophobicContact CD1-CG 4.41Å; L670-L821 HydrophobicContact CD2-CD2 4.24Å; L670-L821 HydrophobicContact CD2-CG 4.12Å; L670-L821 HydrophobicContact CG-CD2 3.94Å; L670-L821 HydrophobicContact CG-CG 4.29Å
671R96.4Very high96.2Very high100 Ų10037.5 Ų37.538%0.37718%0.182SC..Hα-helixtrans-64.4-34.2175.7-73.3176.3-171.7-74.1-19.4113.1D667 K668 L669 E673 N674 D676D667-R671 WeakPolarHBondContact O-CB 3.36Å; D667-R671 VanDerWaalsContact O-CG 3.27Å; D667-R671 WeakPolarHBondContact O-CG 3.14Å; D667-R671 PolarHBondContact O-N 2.88Å; D667-R671 IonicContact OD1-CZ 3.03Å; D667-R671 IonicContact OD1-NE 2.77Å; D667-R671 IonicContact OD1-NH2 3.35Å; D667-R671 PolarHBondContact OD1-NH2 3.26Å; D667-R671 IonicContact OD2-CZ 2.72Å; D667-R671 IonicContact OD2-NE 3.55Å; D667-R671 PolarHBondContact OD2-NE 3.02Å; D667-R671 IonicContact OD2-NH2 2.97Å; D667-R671 PolarHBondContact OD2-NH2 2.8Å; K668-R671 PolarHBondContact O-N 3.3Å; L669-R671 PolarHBondContact O-N 2.87Å; R671-E673 PolarHBondContact O-N 3.4Å; R671-N674 WeakPolarHBondContact O-CA 3.24Å; R671-N674 PolarHBondContact O-N 3.01Å; R671-D676 IonicContact CZ-OD1 3.9Å; R671-D676 VanDerWaalsContact CZ-OD1 3.29Å; R671-D676 IonicContact CZ-OD2 3.33Å; R671-D676 IonicContact NH1-OD1 2.72Å; R671-D676 PolarHBondContact NH1-OD1 2.84Å; R671-D676 IonicContact NH1-OD2 3.28Å; R671-D676 PolarHBondContact NH1-OD2 3.29Å; R671-D676 IonicContact NH2-OD1 2.95Å; R671-D676 PolarHBondContact NH2-OD1 2.87Å; R671-D676 IonicContact NH2-OD2 3.26Å
672Q94Very high96.3Very high117 Ų11736.8 Ų36.855%0.54718%0.179SC..Hα-helixtrans-62.7-32.5174.8-75.8173.8-16.300112K668 L669 L670 N674K668-Q672 WeakPolarHBondContact O-CG 3.47Å; K668-Q672 PolarHBondContact O-N 2.84Å; L669-Q672 WeakPolarHBondContact O-CB 3.49Å; L669-Q672 PolarHBondContact O-N 3.31Å; L670-Q672 VanDerWaalsContact C-N 3.33Å; L670-Q672 PolarHBondContact O-N 3.18Å; Q672-N674 PolarHBondContact O-N 2.91Å
673E94.3Very high96.4Very high85 Ų8540 Ų4040%0.39719%0.193SC..THydrogen-bonded Turntrans-86.115.2174.1-62.8-72.3136.600112.7L669 L670 R671 L675 H820L669-E673 PolarHBondContact O-N 3.38Å; L670-E673 CarbonylContact O-C 3.57Å; L670-E673 PolarHBondContact O-N 2.85Å; R671-E673 PolarHBondContact O-N 3.4Å; E673-L675 PolarHBondContact O-N 3.38Å; E673-H820 WeakPolarHBondContact CG-ND1 3.05Å; E673-H820 IonicContact OE2-CE1 3.39Å; E673-H820 PolarHBondContact OE2-CE1 3.22Å; E673-H820 IonicContact OE2-ND1 3.47Å; E673-H820 PolarHBondContact OE2-ND1 2.86Å
674N95.7Very high96.5Very high156 Ų15640.7 Ų40.783%0.83420%0.196SC*.THydrogen-bonded Turntrans60.624.1-176.7-58.7-59.8000115.1L670 R671 Q672L670-N674 PolarHBondContact O-N 3.14Å; R671-N674 WeakPolarHBondContact O-CA 3.24Å; R671-N674 PolarHBondContact O-N 3.01Å; Q672-N674 PolarHBondContact O-N 2.91Å
675L97.1Very high96.5Very high19 Ų1938.5 Ų38.510%0.09918%0.183CC..  trans-106.991.4176.3-173.561000111.3L670 E673 L677 L813 T816 A817L670-L675 CarbonylContact C-O 3.52Å; L670-L675 WeakPolarHBondContact CB-O 3.4Å; L670-L675 HydrophobicContact CD2-CD2 3.92Å; L670-L675 WeakPolarHBondContact O-CA 3.38Å; L670-L675 PolarHBondContact O-N 3.01Å; E673-L675 PolarHBondContact O-N 3.38Å; L675-L677 HydrophobicContact CD1-CD2 4.09Å; L675-L677 HydrophobicContact CD2-CD2 4.28Å; L675-L677 HydrophobicContact CD2-CG 4.46Å; L675-L677 HydrophobicContact CG-CD2 3.99Å; L675-L677 HydrophobicContact CG-CG 4.14Å; L675-L677 PolarHBondContact O-N 2.81Å; L675-L813 HydrophobicContact CD1-CD2 3.9Å; L675-T816 HydrophobicContact CD2-CG2 4.05Å; L675-A817 HydrophobicContact CD2-CB 4.11Å
676D97.4Very high96.5Very high32 Ų3238.4 Ų38.417%0.17118%0.183CC..  trans-83.3106.5171.7-170.5-1.7000110.5R671 R678 R739R671-D676 IonicContact CZ-OD1 3.9Å; R671-D676 VanDerWaalsContact CZ-OD1 3.29Å; R671-D676 IonicContact CZ-OD2 3.33Å; R671-D676 IonicContact NH1-OD1 2.72Å; R671-D676 PolarHBondContact NH1-OD1 2.84Å; R671-D676 IonicContact NH1-OD2 3.28Å; R671-D676 PolarHBondContact NH1-OD2 3.29Å; R671-D676 IonicContact NH2-OD1 2.95Å; R671-D676 PolarHBondContact NH2-OD1 2.87Å; R671-D676 IonicContact NH2-OD2 3.26Å; D676-R678 VanDerWaalsContact C-N 3.28Å; D676-R678 WeakPolarHBondContact OD1-CA 3.37Å; D676-R678 PolarHBondContact OD1-N 3.36Å; D676-R678 IonicContact OD2-CZ 3.29Å; D676-R678 IonicContact OD2-NE 3.85Å; D676-R678 IonicContact OD2-NH1 3.43Å; D676-R678 PolarHBondContact OD2-NH1 3.34Å; D676-R739 WeakPolarHBondContact O-CD 3.33Å; D676-R739 PolarHBondContact O-NH1 2.92Å
677L97.8Very high96.5Very high1 Ų138.4 Ų38.41%0.00518%0.183CC..  trans-87.98.5175-64.5-179.4000113.1L670 L675 L679 R739 S740 G743 L813 A817L670-L677 HydrophobicContact CD1-CD1 3.62Å; L670-L677 HydrophobicContact CD1-CG 4.37Å; L670-L677 HydrophobicContact CD2-CD1 4.46Å; L675-L677 HydrophobicContact CD1-CD2 4.09Å; L675-L677 HydrophobicContact CD2-CD2 4.28Å; L675-L677 HydrophobicContact CD2-CG 4.46Å; L675-L677 HydrophobicContact CG-CD2 3.99Å; L675-L677 HydrophobicContact CG-CG 4.14Å; L675-L677 PolarHBondContact O-N 2.81Å; L677-L679 HydrophobicContact CB-CD2 4.31Å; L677-L679 HydrophobicContact CB-CG 4.07Å; L677-L679 PolarHBondContact O-N 2.91Å; L677-L679 VanDerWaalsContact O-N 3.14Å; L677-R739 CarbonylContact O-C 3.02Å; L677-R739 WeakPolarHBondContact O-CB 3.32Å; L677-S740 WeakPolarHBondContact O-CA 3.46Å; L677-S740 PolarHBondContact O-N 3.42Å; L677-G743 VanDerWaalsContact CD1-CA 3.49Å; L677-L813 HydrophobicContact CD2-CB 4.34Å; L677-L813 HydrophobicContact CD2-CD2 4.08Å; L677-A817 HydrophobicContact CD1-CB 3.56Å
678R97.5Very high96.3Very high71 Ų7138.3 Ų38.327%0.26818%0.183SC..  trans56.133176.7-51.3-63.6-164.2-175.512.7112.9D676 N736 R739D676-R678 VanDerWaalsContact C-N 3.28Å; D676-R678 WeakPolarHBondContact OD1-CA 3.37Å; D676-R678 PolarHBondContact OD1-N 3.36Å; D676-R678 IonicContact OD2-CZ 3.29Å; D676-R678 IonicContact OD2-NE 3.85Å; D676-R678 IonicContact OD2-NH1 3.43Å; D676-R678 PolarHBondContact OD2-NH1 3.34Å; R678-N736 WeakPolarHBondContact CD-OD1 3.37Å; R678-N736 VanDerWaalsContact CG-OD1 3.31Å; R678-N736 WeakPolarHBondContact CG-OD1 3.28Å; R678-N736 PolarHBondContact NE-OD1 2.97Å; R678-R739 HydrophobicContact CB-CB 4.25Å; R678-R739 HydrophobicContact CG-CB 3.97Å
679L97.5Very high96.1Very high3 Ų337.6 Ų37.62%0.01618%0.181CC..  trans-62.6156.9176.6-59.8178.6000110.8D667 L670 L677 P681 Y744 I747D667-L679 HydrophobicContact CB-CB 4.4Å; D667-L679 HydrophobicContact CB-CD1 3.85Å; L670-L679 HydrophobicContact CD1-CD1 4.49Å; L677-L679 HydrophobicContact CB-CD2 4.31Å; L677-L679 HydrophobicContact CB-CG 4.07Å; L677-L679 PolarHBondContact O-N 2.91Å; L677-L679 VanDerWaalsContact O-N 3.14Å; L679-P681 VanDerWaalsContact O-CD 3.32Å; L679-P681 WeakPolarHBondContact O-CD 3.43Å; L679-Y744 HydrophobicContact CB-CE2 4.47Å; L679-Y744 HydrophobicContact CD2-CD2 3.74Å; L679-Y744 HydrophobicContact CD2-CE2 3.71Å; L679-Y744 HydrophobicContact CD2-CG 4.3Å; L679-I747 HydrophobicContact CD1-CD1 3.47Å; L679-I747 VanDerWaalsContact CD1-CD1 3.47Å; L679-I747 HydrophobicContact CD2-CD1 4.26Å
680T97.2Very high96Very high15 Ų1541.3 Ų41.39%0.09220%0.201CC..  trans-121.174.8178.4-52.10000109.9Y682 I697 Y744T680-Y682 VanDerWaalsContact C-N 3.29Å; T680-Y682 PolarHBondContact O-N 3.24Å; T680-I697 HydrophobicContact CG2-CG1 4.37Å; T680-I697 HydrophobicContact CG2-CG2 4.48Å; T680-Y744 PolarHBondContact N-OH 2.7Å; T680-Y744 PolarHBondContact O-OH 3.25Å; T680-Y744 VanDerWaalsContact O-OH 3.09Å
681P95.7Very high95.9Very high39 Ų3942.3 Ų42.325%0.25321%0.206SC..  trans-72.283.1175.629.9-33.3000110.4V663 T664 L679V663-P681 HydrophobicContact CG1-CB 4.37Å; T664-P681 HydrophobicContact CG2-CB 4.41Å; T664-P681 WeakPolarHBondContact OG1-CB 3.39Å; L679-P681 VanDerWaalsContact O-CD 3.32Å; L679-P681 WeakPolarHBondContact O-CD 3.43Å
682Y96.9Very high95.9Very high9 Ų937.6 Ų37.64%0.03519%0.188CC..  trans-69152.2176.761.5-94.9000111.1I660 T680 V684 V694 F770 H771 V772 F774I660-Y682 HydrophobicContact CD1-CD1 4.08Å; I660-Y682 HydrophobicContact CD1-CD2 4.48Å; I660-Y682 HydrophobicContact CD1-CE1 3.58Å; I660-Y682 HydrophobicContact CD1-CE2 4.03Å; I660-Y682 HydrophobicContact CG1-CD2 4.5Å; I660-Y682 HydrophobicContact CG1-CE1 4.39Å; I660-Y682 HydrophobicContact CG1-CE2 3.93Å; I660-Y682 WeakPolarHBondContact CG2-O 3.35Å; T680-Y682 VanDerWaalsContact C-N 3.29Å; T680-Y682 PolarHBondContact O-N 3.24Å; Y682-V684 HydrophobicContact CD2-CG2 3.76Å; Y682-V684 HydrophobicContact CE2-CG2 3.43Å; Y682-V684 VanDerWaalsContact CE2-CG2 3.43Å; Y682-V694 HydrophobicContact CD2-CG1 3.79Å; Y682-V694 HydrophobicContact CE2-CG1 3.69Å; Y682-F770 AromaticContact CD1-CD2 3.95Å; Y682-F770 HydrophobicContact CD1-CD2 3.95Å; Y682-F770 HydrophobicContact CD1-CE2 4.15Å; Y682-F770 AromaticContact CE1-CD2 3.94Å; Y682-F770 HydrophobicContact CE1-CD2 3.94Å; Y682-F770 HydrophobicContact CE1-CE2 4.24Å; Y682-H771 WeakPolarHBondContact CE1-O 3.22Å; Y682-V772 HydrophobicContact CE1-CG1 4.06Å; Y682-F774 VanDerWaalsContact OH-CE2 3.31Å; Y682-F774 WeakPolarHBondContact OH-CE2 3.2Å
683K96.7Very high96.1Very high69 Ų6932 Ų3230%0.316%0.162SC..  trans-77.2140-177.6-63.9-179.5176.1175.50112L607 D608 V694 Q695L607-K683 HydrophobicContact CD1-CB 3.78Å; L607-K683 HydrophobicContact CD2-CB 4.43Å; L607-K683 HydrophobicContact CG-CB 3.95Å; D608-K683 HydrophobicContact CB-CD 3.84Å; D608-K683 IonicContact OD1-NZ 3.2Å; D608-K683 PolarHBondContact OD1-NZ 2.88Å; D608-K683 IonicContact OD2-NZ 2.73Å; D608-K683 PolarHBondContact OD2-NZ 2.89Å; K683-V694 CarbonylContact O-C 3.47Å; K683-Q695 HydrophobicContact CB-CB 4.14Å; K683-Q695 PolarHBondContact O-N 2.94Å
684V97Very high96.2Very high14 Ų1428.8 Ų28.89%0.08515%0.148CC..EExtended strand (participates in β ladder)trans-133.8134.4171.9-178.20000108.9L653 D656 Q657 I660 Y682 F693 V694L653-V684 HydrophobicContact CB-CG1 4.17Å; D656-V684 HydrophobicContact CB-CG1 4.34Å; Q657-V684 HydrophobicContact CB-CB 4.33Å; Q657-V684 HydrophobicContact CB-CG1 3.9Å; I660-V684 HydrophobicContact CB-CG2 4.27Å; I660-V684 HydrophobicContact CG1-CG2 3.91Å; I660-V684 HydrophobicContact CG2-CG2 4.28Å; Y682-V684 HydrophobicContact CD2-CG2 3.76Å; Y682-V684 HydrophobicContact CE2-CG2 3.43Å; Y682-V684 VanDerWaalsContact CE2-CG2 3.43Å; V684-F693 WeakPolarHBondContact CA-O 3.12Å; V684-V694 HydrophobicContact CG1-CG2 4.3Å; V684-V694 HydrophobicContact CG2-CG1 4.27Å; V684-V694 HydrophobicContact CG2-CG2 4.37Å
685L97.4Very high96.3Very high0 Ų023.5 Ų23.50%012%0.118CC..EExtended strand (participates in β ladder)trans-139.2115.5174.1179.165.3000110.6Y491 W494 F495 P606 L607 T687 G692 F693Y491-L685 HydrophobicContact CD1-CD1 4.1Å; Y491-L685 HydrophobicContact CE1-CD1 4.41Å; W494-L685 HydrophobicContact CB-CD1 3.98Å; W494-L685 HydrophobicContact CB-CD2 4.4Å; W494-L685 HydrophobicContact CG-CD1 4.49Å; W494-L685 HydrophobicContact CG-CD2 4.04Å; F495-L685 HydrophobicContact CD1-CD1 4.3Å; F495-L685 HydrophobicContact CE1-CD1 3.76Å; P606-L685 HydrophobicContact CB-CD2 3.86Å; P606-L685 WeakPolarHBondContact O-CD2 3.27Å; L607-L685 HydrophobicContact CD1-CB 3.81Å; L685-T687 HydrophobicContact CD2-CG2 4.28Å; L685-T687 HydrophobicContact CG-CG2 4.29Å; L685-G692 CarbonylContact O-C 3.57Å; L685-G692 VanDerWaalsContact O-CA 3.27Å; L685-G692 WeakPolarHBondContact O-CA 3.45Å; L685-F693 PolarHBondContact N-O 3.32Å; L685-F693 PolarHBondContact O-N 3.44Å
686S95.9Very high96.3Very high1 Ų125.5 Ų25.51%0.00713%0.125CC..EExtended strand (participates in β ladder)trans-71.3132163.8-178.60000110.2V498 S688V498-S686 WeakPolarHBondContact CG2-O 3.24Å; S686-S688 PolarHBondContact OG-O 3.36Å
687T96.1Very high96.2Very high0 Ų025.8 Ų25.80%013%0.126CC..EExtended strand (participates in β ladder)trans-113.3-12.8177.3540000112.3W494 K497 V560 L685 H691 F693W494-T687 HydrophobicContact CD2-CG2 4.25Å; W494-T687 HydrophobicContact CE3-CG2 3.81Å; W494-T687 HydrophobicContact CH2-CG2 4.28Å; W494-T687 HydrophobicContact CZ3-CG2 3.83Å; K497-T687 PolarHBondContact NZ-O 3.12Å; K497-T687 VanDerWaalsContact NZ-O 3.07Å; V560-T687 HydrophobicContact CG1-CG2 4.35Å; V560-T687 HydrophobicContact CG2-CG2 4.46Å; L685-T687 HydrophobicContact CD2-CG2 4.28Å; L685-T687 HydrophobicContact CG-CG2 4.29Å; T687-H691 PolarHBondContact N-O 2.93Å; T687-H691 PolarHBondContact OG1-CE1 3.31Å; T687-H691 PolarHBondContact OG1-ND1 3.04Å; T687-H691 PolarHBondContact OG1-O 3.38Å; T687-F693 HydrophobicContact CG2-CD2 4.05Å; T687-F693 HydrophobicContact CG2-CE2 4.32Å
688S94.3Very high96.1Very high11 Ų1131.9 Ų31.98%0.07716%0.155CC..EExtended strand (participates in β ladder)trans-159.5176.8162.677.90000109.6S686 N690 H691S686-S688 PolarHBondContact OG-O 3.36Å; S688-N690 PolarHBondContact O-N 3.35Å; S688-N690 VanDerWaalsContact O-N 3.08Å; S688-N690 PolarHBondContact OG-N 2.82Å; S688-N690 VanDerWaalsContact OG-N 3.07Å; S688-H691 VanDerWaalsContact CB-CE1 3.47Å; S688-H691 WeakPolarHBondContact CB-CE1 3.37Å; S688-H691 WeakPolarHBondContact CB-NE2 3.43Å; S688-H691 PolarHBondContact N-O 3.22Å; S688-H691 VanDerWaalsContact N-O 3.08Å; S688-H691 PolarHBondContact O-N 2.99Å; S688-H691 PolarHBondContact OG-CD2 2.93Å; S688-H691 PolarHBondContact OG-CE1 3.42Å; S688-H691 VanDerWaalsContact OG-CG 3.26Å; S688-H691 PolarHBondContact OG-N 2.97Å; S688-H691 PolarHBondContact OG-ND1 3.2Å; S688-H691 PolarHBondContact OG-NE2 3.31Å
689I91.4Very high96Very high36 Ų3629.3 Ų29.319%0.18515%0.148CC..THydrogen-bonded Turntrans-63.3-9.4172.361.6170.5000114.9C502 D652C502-I689 HydrophobicContact CB-CG2 3.47Å; C502-I689 VanDerWaalsContact CB-CG2 3.47Å; D652-I689 WeakPolarHBondContact CA-O 3.25Å; D652-I689 VanDerWaalsContact CB-O 3.29Å; D652-I689 WeakPolarHBondContact CB-O 3.47Å
690N91.8Very high95.9Very high90 Ų9032.1 Ų32.148%0.48116%0.163SC..THydrogen-bonded Turntrans-127.11-175.9-68.3-33.6000112.8G650 D651 S688G650-N690 WeakPolarHBondContact CA-O 3.39Å; G650-N690 PolarHBondContact N-O 2.67Å; D651-N690 PolarHBondContact N-O 3.19Å; D651-N690 VanDerWaalsContact N-O 3.13Å; D651-N690 CarbonylContact O-C 3.58Å; D651-N690 WeakPolarHBondContact O-CA 3.48Å; S688-N690 PolarHBondContact O-N 3.35Å; S688-N690 VanDerWaalsContact O-N 3.08Å; S688-N690 PolarHBondContact OG-N 2.82Å; S688-N690 VanDerWaalsContact OG-N 3.07Å
691H94.9Very high95.8Very high21 Ų2132.8 Ų32.810%0.09717%0.167CC..EExtended strand (participates in β ladder)trans-160.3155.3177.45674000113.5F647 K648 Y649 D651 T687 S688F647-H691 HydrophobicContact CE1-CB 4.39Å; F647-H691 HydrophobicContact CZ-CB 3.91Å; K648-H691 WeakPolarHBondContact O-CA 3.39Å; K648-H691 VanDerWaalsContact O-CB 3.23Å; K648-H691 WeakPolarHBondContact O-CB 3.4Å; Y649-H691 HydrophobicContact CD2-CB 4.22Å; D651-H691 PolarHBondContact O-N 3.01Å; T687-H691 PolarHBondContact N-O 2.93Å; T687-H691 PolarHBondContact OG1-CE1 3.31Å; T687-H691 PolarHBondContact OG1-ND1 3.04Å; T687-H691 PolarHBondContact OG1-O 3.38Å; S688-H691 VanDerWaalsContact CB-CE1 3.47Å; S688-H691 WeakPolarHBondContact CB-CE1 3.37Å; S688-H691 WeakPolarHBondContact CB-NE2 3.43Å; S688-H691 PolarHBondContact N-O 3.22Å; S688-H691 VanDerWaalsContact N-O 3.08Å; S688-H691 PolarHBondContact O-N 2.99Å; S688-H691 PolarHBondContact OG-CD2 2.93Å; S688-H691 PolarHBondContact OG-CE1 3.42Å; S688-H691 VanDerWaalsContact OG-CG 3.26Å; S688-H691 PolarHBondContact OG-N 2.97Å; S688-H691 PolarHBondContact OG-ND1 3.2Å; S688-H691 PolarHBondContact OG-NE2 3.31Å
692G97Very high95.8Very high0 Ų030.9 Ų30.90%016%0.155CC..EExtended strand (participates in β ladder)trans-177-174.1173.100000113.7F647 K648 L685F647-G692 WeakPolarHBondContact CD2-O 3.48Å; K648-G692 PolarHBondContact N-O 3.36Å; K648-G692 PolarHBondContact O-N 3.07Å; K648-G692 VanDerWaalsContact O-N 3.1Å; L685-G692 CarbonylContact O-C 3.57Å; L685-G692 VanDerWaalsContact O-CA 3.27Å; L685-G692 WeakPolarHBondContact O-CA 3.45Å
693F97.8Very high95.6Very high0 Ų037 Ų370%018%0.177CC..EExtended strand (participates in β ladder)trans-109.8142.9-176.7-69.9-91000110.8F559 V560 L607 F635 I646 F647 V684 L685 T687F559-F693 HydrophobicContact CE1-CZ 4.03Å; F559-F693 HydrophobicContact CZ-CZ 4.48Å; V560-F693 HydrophobicContact CG2-CE2 3.93Å; L607-F693 HydrophobicContact CB-CB 3.95Å; L607-F693 HydrophobicContact CD1-CB 3.97Å; L607-F693 HydrophobicContact CD2-CB 4.13Å; L607-F693 HydrophobicContact CG-CB 4.24Å; F635-F693 HydrophobicContact CZ-CE1 4.46Å; I646-F693 CarbonylContact O-C 3.56Å; I646-F693 WeakPolarHBondContact O-CA 3.2Å; F647-F693 HydrophobicContact CB-CD1 4.37Å; F647-F693 HydrophobicContact CB-CE1 4.27Å; F647-F693 AromaticContact CD2-CD1 3.81Å; F647-F693 HydrophobicContact CD2-CD1 3.81Å; F647-F693 AromaticContact CD2-CD2 3.95Å; F647-F693 HydrophobicContact CD2-CD2 3.95Å; F647-F693 AromaticContact CD2-CE1 3.52Å; F647-F693 HydrophobicContact CD2-CE1 3.52Å; F647-F693 AromaticContact CD2-CE2 3.65Å; F647-F693 HydrophobicContact CD2-CE2 3.65Å; F647-F693 HydrophobicContact CD2-CG 4.03Å; F647-F693 AromaticContact CD2-CZ 3.42Å; F647-F693 HydrophobicContact CD2-CZ 3.42Å; F647-F693 VanDerWaalsContact CD2-CZ 3.42Å; F647-F693 HydrophobicContact CE2-CD2 4.16Å; F647-F693 HydrophobicContact CE2-CE1 4.32Å; F647-F693 AromaticContact CE2-CE2 3.66Å; F647-F693 HydrophobicContact CE2-CE2 3.66Å; F647-F693 AromaticContact CE2-CZ 3.76Å; F647-F693 HydrophobicContact CE2-CZ 3.76Å; F647-F693 HydrophobicContact CG-CE1 4.3Å; F647-F693 HydrophobicContact CG-CZ 4.49Å; V684-F693 WeakPolarHBondContact CA-O 3.12Å; L685-F693 PolarHBondContact N-O 3.32Å; L685-F693 PolarHBondContact O-N 3.44Å; T687-F693 HydrophobicContact CG2-CD2 4.05Å; T687-F693 HydrophobicContact CG2-CE2 4.32Å
694V97.4Very high95.5Very high18 Ų1835.9 Ų35.911%0.10918%0.175CC..EExtended strand (participates in β ladder)trans-126.4138.6169.4179.90000107.6T645 I646 K648 L653 Y682 K683 V684 Y696T645-V694 CarbonylContact C-O 3.6Å; T645-V694 WeakPolarHBondContact CA-O 3.35Å; I646-V694 HydrophobicContact CB-CB 4.27Å; I646-V694 PolarHBondContact N-O 3.2Å; I646-V694 PolarHBondContact O-N 2.89Å; K648-V694 HydrophobicContact CD-CG2 4.33Å; L653-V694 HydrophobicContact CD1-CG2 3.97Å; L653-V694 HydrophobicContact CD2-CG2 4.38Å; Y682-V694 HydrophobicContact CD2-CG1 3.79Å; Y682-V694 HydrophobicContact CE2-CG1 3.69Å; K683-V694 CarbonylContact O-C 3.47Å; V684-V694 HydrophobicContact CG1-CG2 4.3Å; V684-V694 HydrophobicContact CG2-CG1 4.27Å; V684-V694 HydrophobicContact CG2-CG2 4.37Å; V694-Y696 PolarHBondContact O-N 2.82Å
695Q97.6Very high95.5Very high44 Ų4435.3 Ų35.321%0.20617%0.172CC..EExtended strand (participates in β ladder)trans-67.9131.6173.9-17918014.100109.6L607 K683 I697L607-Q695 HydrophobicContact CD2-CB 4.13Å; K683-Q695 HydrophobicContact CB-CB 4.14Å; K683-Q695 PolarHBondContact O-N 2.94Å; Q695-I697 HydrophobicContact CG-CD1 4Å
696Y96.6Very high95.3Very high61 Ų6137.1 Ų37.124%0.23918%0.181CC..  trans-83.9125.2174.3179.2-97.2000109.6F624 K632 T644 I646 V694 E698F624-Y696 HydrophobicContact CE1-CE2 4.43Å; F624-Y696 HydrophobicContact CZ-CD2 4.07Å; F624-Y696 AromaticContact CZ-CE2 3.9Å; F624-Y696 HydrophobicContact CZ-CE2 3.9Å; K632-Y696 HydrophobicContact CD-CE2 4.38Å; K632-Y696 PolarHBondContact NZ-OH 3.18Å; T644-Y696 HydrophobicContact CG2-CD1 3.62Å; T644-Y696 HydrophobicContact CG2-CE1 4.49Å; T644-Y696 HydrophobicContact CG2-CG 3.75Å; T644-Y696 WeakPolarHBondContact O-CB 3.41Å; T644-Y696 PolarHBondContact O-N 2.94Å; T644-Y696 VanDerWaalsContact O-N 3.11Å; I646-Y696 HydrophobicContact CD1-CD2 4Å; I646-Y696 HydrophobicContact CG1-CD2 3.96Å; V694-Y696 PolarHBondContact O-N 2.82Å; Y696-E698 HydrophobicContact CE1-CB 4.49Å
697I96.6Very high95.3Very high38 Ų3844.5 Ų44.520%0.19521%0.209CC..  trans-106.4134.6171.3-53.2-58.8000107.7T680 Q695 S699 F770T680-I697 HydrophobicContact CG2-CG1 4.37Å; T680-I697 HydrophobicContact CG2-CG2 4.48Å; Q695-I697 HydrophobicContact CG-CD1 4Å; I697-S699 PolarHBondContact O-N 2.86Å; I697-S699 VanDerWaalsContact O-N 3.16Å; I697-S699 PolarHBondContact O-OG 3.44Å; I697-F770 HydrophobicContact CB-CE1 4.38Å; I697-F770 HydrophobicContact CB-CZ 3.85Å; I697-F770 HydrophobicContact CG1-CZ 4.36Å; I697-F770 HydrophobicContact CG2-CE1 4.01Å; I697-F770 HydrophobicContact CG2-CZ 4Å
698E95Very high95.2Very high129 Ų12949.1 Ų49.160%0.60323%0.233SC*.  trans-73.4106.3175.7-168.7-175.5156.200109.7Y696 K765Y696-E698 HydrophobicContact CE1-CB 4.49Å; E698-K765 IonicContact OE1-NZ 3.02Å; E698-K765 PolarHBondContact OE1-NZ 2.88Å
699S95.7Very high95.3Very high18 Ų1852 Ų5213%0.12624%0.243CC..  trans-162.9158.9-172.954.60000111.1I697 L762 L763 F770I697-S699 PolarHBondContact O-N 2.86Å; I697-S699 VanDerWaalsContact O-N 3.16Å; I697-S699 PolarHBondContact O-OG 3.44Å; S699-L762 VanDerWaalsContact OG-CD2 3.32Å; S699-L762 WeakPolarHBondContact OG-CD2 3.26Å; S699-L763 WeakPolarHBondContact CA-O 3.31Å; S699-L763 WeakPolarHBondContact CB-O 3.22Å; S699-F770 WeakPolarHBondContact OG-CZ 3.41Å
700D95.4Very high95.2Very high62 Ų6254.2 Ų54.233%0.33226%0.262SS..EExtended strand (participates in β ladder)trans-110.7148.2177.4-62-65000110.3V705 L762 L763D700-V705 HydrophobicContact CB-CG2 3.78Å; D700-L762 CarbonylContact O-C 3.18Å; D700-L762 WeakPolarHBondContact O-CA 3.33Å; D700-L763 PolarHBondContact N-O 3.25Å; D700-L763 PolarHBondContact O-N 3.39Å
701T95Very high95.4Very high28 Ų2852.3 Ų52.317%0.17225%0.254CS..EExtended strand (participates in β ladder)trans-69.6147174.175.20000109.6R703 D704 V705 L762T701-R703 PolarHBondContact O-N 3.33Å; T701-D704 PolarHBondContact O-N 2.86Å; T701-D704 WeakPolarHBondContact OG1-CB 3.23Å; T701-D704 PolarHBondContact OG1-N 2.83Å; T701-D704 VanDerWaalsContact OG1-N 3.11Å; T701-D704 PolarHBondContact OG1-OD2 3.07Å; T701-V705 WeakPolarHBondContact O-CG2 3.48Å; T701-V705 PolarHBondContact O-N 3.02Å; T701-L762 HydrophobicContact CG2-CG 4.46Å
702L94.4Very high95.4Very high0 Ų051.5 Ų51.50%025%0.25CC..Hα-helixtrans-58.4-31.9177.4-117.1154000111.7L706 I712 L758 L761 L769 M795L702-L706 HydrophobicContact CD2-CD1 4.14Å; L702-L706 HydrophobicContact CD2-CG 4.36Å; L702-L706 WeakPolarHBondContact O-CB 3.43Å; L702-L706 WeakPolarHBondContact O-CD1 3.34Å; L702-L706 WeakPolarHBondContact O-CG 3.38Å; L702-L706 PolarHBondContact O-N 3.28Å; L702-I712 HydrophobicContact CD2-CD1 3.66Å; L702-I712 HydrophobicContact CD2-CG1 3.91Å; L702-L758 HydrophobicContact CB-CB 4.42Å; L702-L758 HydrophobicContact CB-CD2 4.24Å; L702-L758 WeakPolarHBondContact CB-O 3.31Å; L702-L758 HydrophobicContact CD2-CD2 4.46Å; L702-L758 PolarHBondContact N-O 3.16Å; L702-L761 HydrophobicContact CB-CB 4.12Å; L702-L761 HydrophobicContact CD1-CB 3.52Å; L702-L761 HydrophobicContact CD1-CD1 3.96Å; L702-L761 HydrophobicContact CD1-CG 4.4Å; L702-L761 HydrophobicContact CG-CB 4.42Å; L702-L761 PolarHBondContact N-O 2.82Å; L702-L769 HydrophobicContact CD1-CD1 3.6Å; L702-M795 HydrophobicContact CD1-CG 4.27Å
703R93.6Very high95.3Very high136 Ų13652.9 Ų52.951%0.51326%0.256SS..Hα-helixtrans-63.9-46172.8-172.9-176.8179.6149.8-4.6112.4T701 L706 R707 L758 H759T701-R703 PolarHBondContact O-N 3.33Å; R703-L706 PolarHBondContact O-N 3.35Å; R703-R707 WeakPolarHBondContact O-CB 3.38Å; R703-R707 PolarHBondContact O-N 3.45Å; R703-L758 HydrophobicContact CB-CB 4.01Å; R703-L758 PolarHBondContact N-O 2.78Å; R703-H759 WeakPolarHBondContact CD-CE1 3.28Å; R703-H759 VanDerWaalsContact CD-ND1 3.27Å; R703-H759 WeakPolarHBondContact CD-ND1 3.21Å; R703-H759 PolarHBondContact NH1-CE1 3.47Å; R703-H759 PolarHBondContact NH1-NE2 3.39Å
704D94.9Very high95.2Very high47 Ų4754.9 Ų54.925%0.25127%0.267SS..Hα-helixtrans-66.7-41178.8-66.6-47.4000110.8T701 L706 R707 D708T701-D704 PolarHBondContact O-N 2.86Å; T701-D704 WeakPolarHBondContact OG1-CB 3.23Å; T701-D704 PolarHBondContact OG1-N 2.83Å; T701-D704 VanDerWaalsContact OG1-N 3.11Å; T701-D704 PolarHBondContact OG1-OD2 3.07Å; D704-L706 PolarHBondContact O-N 2.8Å; D704-R707 PolarHBondContact O-N 3.21Å; D704-R707 IonicContact OD1-CZ 3.86Å; D704-R707 IonicContact OD1-NH1 3.14Å; D704-R707 PolarHBondContact OD1-NH1 3.34Å; D704-R707 IonicContact OD1-NH2 3.78Å; D704-R707 PolarHBondContact OD1-NH2 2.99Å; D704-D708 WeakPolarHBondContact O-CB 3.23Å; D704-D708 VanDerWaalsContact O-CG 3.28Å; D704-D708 PolarHBondContact O-N 3.48Å
705V95.8Very high95.2Very high2 Ų254 Ų541%0.01226%0.262CS..Hα-helixtrans-56.2-49.1174.4169.10000111.4D700 T701 R707 D708 Y709 F715 L763D700-V705 HydrophobicContact CB-CG2 3.78Å; T701-V705 WeakPolarHBondContact O-CG2 3.48Å; T701-V705 PolarHBondContact O-N 3.02Å; V705-R707 VanDerWaalsContact C-N 3.32Å; V705-R707 PolarHBondContact O-N 3.46Å; V705-D708 PolarHBondContact O-N 3.37Å; V705-Y709 WeakPolarHBondContact O-CB 3.31Å; V705-Y709 PolarHBondContact O-N 3.49Å; V705-F715 HydrophobicContact CG1-CB 3.67Å; V705-F715 HydrophobicContact CG1-CD1 4.41Å; V705-F715 HydrophobicContact CG1-CD2 4.24Å; V705-F715 HydrophobicContact CG1-CG 3.87Å; V705-F715 HydrophobicContact CG2-CD2 4.04Å; V705-F715 HydrophobicContact CG2-CE2 4.11Å; V705-F715 HydrophobicContact CG2-CG 4.26Å; V705-F715 HydrophobicContact CG2-CZ 4.42Å; V705-L763 HydrophobicContact CG1-CD2 4.34Å; V705-L763 HydrophobicContact CG2-CB 4.49Å; V705-L763 HydrophobicContact CG2-CD2 4.38Å
706L94.5Very high95.1Very high37 Ų3751.9 Ų51.919%0.19425%0.252CS..Hα-helixtrans-69.7-30.3-179.6-67.2166000112.6L702 R703 D704 S710 L758 E794L702-L706 HydrophobicContact CD2-CD1 4.14Å; L702-L706 HydrophobicContact CD2-CG 4.36Å; L702-L706 WeakPolarHBondContact O-CB 3.43Å; L702-L706 WeakPolarHBondContact O-CD1 3.34Å; L702-L706 WeakPolarHBondContact O-CG 3.38Å; L702-L706 PolarHBondContact O-N 3.28Å; R703-L706 PolarHBondContact O-N 3.35Å; D704-L706 PolarHBondContact O-N 2.8Å; L706-S710 WeakPolarHBondContact CD2-O 3.49Å; L706-S710 VanDerWaalsContact O-CA 3.24Å; L706-S710 WeakPolarHBondContact O-CA 3.35Å; L706-S710 PolarHBondContact O-N 2.78Å; L706-L758 HydrophobicContact CD1-CD1 3.89Å; L706-L758 HydrophobicContact CD1-CD2 4.24Å; L706-E794 HydrophobicContact CD1-CB 3.95Å; L706-E794 HydrophobicContact CD1-CG 3.7Å; L706-E794 HydrophobicContact CD2-CB 4.11Å; L706-E794 HydrophobicContact CD2-CG 4.23Å
707R94.8Very high95.1Very high157 Ų15753.3 Ų53.359%0.59226%0.257SS*.Hα-helixtrans-68-43.9173.7-175.9-171.566.3-132.6-12.8111.5R703 D704 V705R703-R707 WeakPolarHBondContact O-CB 3.38Å; R703-R707 PolarHBondContact O-N 3.45Å; D704-R707 PolarHBondContact O-N 3.21Å; D704-R707 IonicContact OD1-CZ 3.86Å; D704-R707 IonicContact OD1-NH1 3.14Å; D704-R707 PolarHBondContact OD1-NH1 3.34Å; D704-R707 IonicContact OD1-NH2 3.78Å; D704-R707 PolarHBondContact OD1-NH2 2.99Å; V705-R707 VanDerWaalsContact C-N 3.32Å; V705-R707 PolarHBondContact O-N 3.46Å
708D95.8Very high95Very high97 Ų9755.6 Ų55.652%0.51927%0.273SS..Hα-helixtrans-92.1-28.8-167.3-60.5-16.9000112.6D704 V705D704-D708 WeakPolarHBondContact O-CB 3.23Å; D704-D708 VanDerWaalsContact O-CG 3.28Å; D704-D708 PolarHBondContact O-N 3.48Å; V705-D708 PolarHBondContact O-N 3.37Å
709Y94.5Very high95Very high71 Ų7152.5 Ų52.528%0.27826%0.258SS..Hα-helixtrans-119.9-3-177-60-89.2000114.4V705 T711 D714 F715 T718 H719V705-Y709 WeakPolarHBondContact O-CB 3.31Å; V705-Y709 PolarHBondContact O-N 3.49Å; Y709-T711 PolarHBondContact O-N 3.42Å; Y709-D714 VanDerWaalsContact O-CB 3.28Å; Y709-D714 WeakPolarHBondContact O-CB 3.47Å; Y709-F715 HydrophobicContact CD1-CB 4.43Å; Y709-F715 HydrophobicContact CD2-CB 4.06Å; Y709-F715 AromaticContact CD2-CD2 3.7Å; Y709-F715 HydrophobicContact CD2-CD2 3.7Å; Y709-F715 HydrophobicContact CD2-CG 4.38Å; Y709-F715 AromaticContact CE2-CD2 3.56Å; Y709-F715 HydrophobicContact CE2-CD2 3.56Å; Y709-F715 HydrophobicContact CE2-CE2 4.23Å; Y709-F715 HydrophobicContact CG-CB 3.93Å; Y709-F715 HydrophobicContact CG-CD2 4.29Å; Y709-T718 HydrophobicContact CE1-CG2 3.93Å; Y709-H719 AromaticContact CZ-NE2 3.89Å; Y709-H719 PolarHBondContact OH-NE2 3.07Å
710S90.8Very high95Very high82 Ų8256.8 Ų56.857%0.57327%0.271SS*.SBendtrans65.7-43.3-17475.80000115.9L706 D714L706-S710 WeakPolarHBondContact CD2-O 3.49Å; L706-S710 VanDerWaalsContact O-CA 3.24Å; L706-S710 WeakPolarHBondContact O-CA 3.35Å; L706-S710 PolarHBondContact O-N 2.78Å; S710-D714 PolarHBondContact OG-OD2 2.91Å
711T94.4Very high95Very high51 Ų5158 Ų5831%0.31328%0.282SS..SBendtrans-130.8156.717777.40000112.8Y709 Q713 D714 F715Y709-T711 PolarHBondContact O-N 3.42Å; T711-Q713 PolarHBondContact O-N 2.79Å; T711-D714 PolarHBondContact O-N 2.94Å; T711-D714 PolarHBondContact OG1-N 3.42Å; T711-D714 VanDerWaalsContact OG1-N 3.09Å; T711-D714 PolarHBondContact OG1-OD2 3.25Å; T711-F715 PolarHBondContact O-N 3.38Å
712I95.6Very high95Very high3 Ų358.4 Ų58.42%0.01529%0.287CS..Hα-helixtrans-61.5-36.9174.2-62177.1000110.9L702 F715 F716 Y737 L763 E794L702-I712 HydrophobicContact CD2-CD1 3.66Å; L702-I712 HydrophobicContact CD2-CG1 3.91Å; I712-F715 WeakPolarHBondContact O-CB 3.18Å; I712-F715 PolarHBondContact O-N 3.21Å; I712-F716 HydrophobicContact CG2-CD2 3.91Å; I712-F716 HydrophobicContact CG2-CE2 3.4Å; I712-F716 VanDerWaalsContact CG2-CE2 3.4Å; I712-F716 HydrophobicContact CG2-CZ 3.85Å; I712-F716 WeakPolarHBondContact O-CD2 3.27Å; I712-F716 PolarHBondContact O-N 3.13Å; I712-F716 VanDerWaalsContact O-N 3.12Å; I712-Y737 HydrophobicContact CD1-CE2 4.42Å; I712-Y737 WeakPolarHBondContact CD1-OH 3.46Å; I712-Y737 HydrophobicContact CG2-CE2 4.13Å; I712-L763 HydrophobicContact CG2-CD2 3.9Å; I712-E794 VanDerWaalsContact CD1-O 3.23Å; I712-E794 WeakPolarHBondContact CD1-O 3.46Å
713Q95Very high94.8Very high30 Ų3063.9 Ų63.914%0.1433%0.332CS..Hα-helixtrans-66.9-39.2179.5-65.3-176-6.600111.6T711 F716 R717 I729 E797 G798T711-Q713 PolarHBondContact O-N 2.79Å; Q713-F716 PolarHBondContact O-N 3.41Å; Q713-R717 VanDerWaalsContact O-CB 3.29Å; Q713-R717 WeakPolarHBondContact O-CB 3.22Å; Q713-R717 PolarHBondContact O-N 2.82Å; Q713-I729 HydrophobicContact CB-CD1 4.06Å; Q713-I729 HydrophobicContact CG-CD1 4.39Å; Q713-E797 PolarHBondContact NE2-O 2.85Å; Q713-G798 WeakPolarHBondContact CG-O 3.49Å; Q713-G798 PolarHBondContact NE2-O 2.87Å
714D95.5Very high94.6Very high41 Ų4161.3 Ų61.322%0.21935%0.348CS..Hα-helixtrans-66.2-38.6177.5-63.4-35.1000111.8Y709 S710 T711 R717 T718Y709-D714 VanDerWaalsContact O-CB 3.28Å; Y709-D714 WeakPolarHBondContact O-CB 3.47Å; S710-D714 PolarHBondContact OG-OD2 2.91Å; T711-D714 PolarHBondContact O-N 2.94Å; T711-D714 PolarHBondContact OG1-N 3.42Å; T711-D714 VanDerWaalsContact OG1-N 3.09Å; T711-D714 PolarHBondContact OG1-OD2 3.25Å; D714-R717 PolarHBondContact O-N 3.18Å; D714-R717 IonicContact OD1-CZ 3.29Å; D714-R717 IonicContact OD1-NH1 2.97Å; D714-R717 PolarHBondContact OD1-NH1 3.29Å; D714-R717 IonicContact OD1-NH2 2.79Å; D714-T718 WeakPolarHBondContact O-CB 3.33Å; D714-T718 PolarHBondContact O-N 3.18Å; D714-T718 PolarHBondContact O-OG1 2.94Å
715F96.9Very high94.4Very high0 Ų059.7 Ų59.70%034%0.342CS..Hα-helixtrans-58.6-50.1172.3170.4-100.4000111.8V705 Y709 T711 I712 T718 H719 L763 K765V705-F715 HydrophobicContact CG1-CB 3.67Å; V705-F715 HydrophobicContact CG1-CD1 4.41Å; V705-F715 HydrophobicContact CG1-CD2 4.24Å; V705-F715 HydrophobicContact CG1-CG 3.87Å; V705-F715 HydrophobicContact CG2-CD2 4.04Å; V705-F715 HydrophobicContact CG2-CE2 4.11Å; V705-F715 HydrophobicContact CG2-CG 4.26Å; V705-F715 HydrophobicContact CG2-CZ 4.42Å; Y709-F715 HydrophobicContact CD1-CB 4.43Å; Y709-F715 HydrophobicContact CD2-CB 4.06Å; Y709-F715 AromaticContact CD2-CD2 3.7Å; Y709-F715 HydrophobicContact CD2-CD2 3.7Å; Y709-F715 HydrophobicContact CD2-CG 4.38Å; Y709-F715 AromaticContact CE2-CD2 3.56Å; Y709-F715 HydrophobicContact CE2-CD2 3.56Å; Y709-F715 HydrophobicContact CE2-CE2 4.23Å; Y709-F715 HydrophobicContact CG-CB 3.93Å; Y709-F715 HydrophobicContact CG-CD2 4.29Å; T711-F715 PolarHBondContact O-N 3.38Å; I712-F715 WeakPolarHBondContact O-CB 3.18Å; I712-F715 PolarHBondContact O-N 3.21Å; F715-T718 PolarHBondContact O-N 3.34Å; F715-H719 AromaticContact CD2-CD2 3.58Å; F715-H719 AromaticContact CD2-NE2 3.81Å; F715-H719 AromaticContact CE2-CD2 3.35Å; F715-H719 WeakPolarHBondContact CE2-CD2 3.28Å; F715-H719 AromaticContact CE2-NE2 3.45Å; F715-H719 WeakPolarHBondContact CE2-NE2 3.4Å; F715-H719 AromaticContact CZ-CD2 3.79Å; F715-H719 PolarHBondContact O-CD2 3.13Å; F715-H719 PolarHBondContact O-N 3.27Å; F715-L763 HydrophobicContact CD1-CD2 3.63Å; F715-L763 HydrophobicContact CD1-CG 4.36Å; F715-L763 HydrophobicContact CE1-CD2 3.77Å; F715-L763 HydrophobicContact CE1-CG 4Å; F715-K765 HydrophobicContact CZ-CG 4.05Å
716F96.9Very high94.1Very high0 Ų060.9 Ų60.90%035%0.35CS..Hα-helixtrans-65.5-41.5177.7-66.4-33.1000112.6I712 Q713 T718 H719 R720 I729 V733 M734 Y737 L763I712-F716 HydrophobicContact CG2-CD2 3.91Å; I712-F716 HydrophobicContact CG2-CE2 3.4Å; I712-F716 VanDerWaalsContact CG2-CE2 3.4Å; I712-F716 HydrophobicContact CG2-CZ 3.85Å; I712-F716 WeakPolarHBondContact O-CD2 3.27Å; I712-F716 PolarHBondContact O-N 3.13Å; I712-F716 VanDerWaalsContact O-N 3.12Å; Q713-F716 PolarHBondContact O-N 3.41Å; F716-T718 VanDerWaalsContact C-N 3.25Å; F716-T718 PolarHBondContact O-N 2.9Å; F716-H719 PolarHBondContact O-N 2.84Å; F716-R720 CarbonylContact O-C 3.51Å; F716-R720 WeakPolarHBondContact O-CA 3.42Å; F716-R720 PolarHBondContact O-N 3.07Å; F716-I729 HydrophobicContact CB-CD1 3.79Å; F716-I729 HydrophobicContact CB-CG1 4.04Å; F716-I729 HydrophobicContact CB-CG2 3.71Å; F716-I729 HydrophobicContact CD2-CD1 4.41Å; F716-V733 HydrophobicContact CB-CG1 4.13Å; F716-V733 HydrophobicContact CD1-CG1 3.76Å; F716-V733 HydrophobicContact CD2-CG1 4.18Å; F716-V733 HydrophobicContact CE1-CG1 4.16Å; F716-V733 HydrophobicContact CG-CG1 3.78Å; F716-M734 HydrophobicContact CD2-SD 4.06Å; F716-M734 HydrophobicContact CE2-SD 4.43Å; F716-Y737 HydrophobicContact CE2-CD1 4.23Å; F716-Y737 AromaticContact CE2-CD2 3.87Å; F716-Y737 HydrophobicContact CE2-CD2 3.87Å; F716-Y737 HydrophobicContact CE2-CE2 4.48Å; F716-Y737 AromaticContact CE2-CG 3.73Å; F716-Y737 HydrophobicContact CE2-CG 3.73Å; F716-Y737 AromaticContact CZ-CD2 3.72Å; F716-Y737 HydrophobicContact CZ-CD2 3.72Å; F716-Y737 HydrophobicContact CZ-CE2 4.41Å; F716-Y737 AromaticContact CZ-CG 3.98Å; F716-Y737 HydrophobicContact CZ-CG 3.98Å; F716-L763 HydrophobicContact CE1-CD1 3.98Å; F716-L763 HydrophobicContact CE1-CD2 3.71Å; F716-L763 HydrophobicContact CE1-CG 3.83Å; F716-L763 HydrophobicContact CZ-CD1 3.62Å; F716-L763 HydrophobicContact CZ-CD2 3.73Å; F716-L763 HydrophobicContact CZ-CG 3.94Å
717R95.6Very high94Very high90 Ų9062.8 Ų62.834%0.3436%0.357SS..Hα-helixtrans-63.3-34.5178.4-165.1-176.8-53111.88.8111.6Q713 D714 P721 F727 I729Q713-R717 VanDerWaalsContact O-CB 3.29Å; Q713-R717 WeakPolarHBondContact O-CB 3.22Å; Q713-R717 PolarHBondContact O-N 2.82Å; D714-R717 PolarHBondContact O-N 3.18Å; D714-R717 IonicContact OD1-CZ 3.29Å; D714-R717 IonicContact OD1-NH1 2.97Å; D714-R717 PolarHBondContact OD1-NH1 3.29Å; D714-R717 IonicContact OD1-NH2 2.79Å; R717-P721 WeakPolarHBondContact O-CB 3.16Å; R717-P721 WeakPolarHBondContact O-CD 3.49Å; R717-F727 PolarHBondContact NE-O 3.31Å; R717-F727 PolarHBondContact NH2-O 3.48Å; R717-I729 HydrophobicContact CB-CG1 4.05Å
718T95.8Very high93.9Very high87 Ų8756.5 Ų56.553%0.53434%0.34SS..Hα-helixtrans-70.8-39.5178.2-55.70000112.1Y709 D714 F715 F716Y709-T718 HydrophobicContact CE1-CG2 3.93Å; D714-T718 WeakPolarHBondContact O-CB 3.33Å; D714-T718 PolarHBondContact O-N 3.18Å; D714-T718 PolarHBondContact O-OG1 2.94Å; F715-T718 PolarHBondContact O-N 3.34Å; F716-T718 VanDerWaalsContact C-N 3.25Å; F716-T718 PolarHBondContact O-N 2.9Å
719H95.1Very high94Very high63 Ų6351.9 Ų51.929%0.29232%0.316SS..Hα-helixtrans-91.6-28.4-176.6-71.4-55.8000114.9Y709 F715 F716 K765Y709-H719 AromaticContact CZ-NE2 3.89Å; Y709-H719 PolarHBondContact OH-NE2 3.07Å; F715-H719 AromaticContact CD2-CD2 3.58Å; F715-H719 AromaticContact CD2-NE2 3.81Å; F715-H719 AromaticContact CE2-CD2 3.35Å; F715-H719 WeakPolarHBondContact CE2-CD2 3.28Å; F715-H719 AromaticContact CE2-NE2 3.45Å; F715-H719 WeakPolarHBondContact CE2-NE2 3.4Å; F715-H719 AromaticContact CZ-CD2 3.79Å; F715-H719 PolarHBondContact O-CD2 3.13Å; F715-H719 PolarHBondContact O-N 3.27Å; F716-H719 PolarHBondContact O-N 2.84Å; H719-K765 HydrophobicContact CB-CB 4.41Å; H719-K765 HydrophobicContact CB-CG 4.48Å
720R95.6Very high94Very high108 Ų10851.7 Ų51.741%0.40832%0.317SS..SBendtrans-141.161.7-173.3-62.2-67.3-175.9169.8-1.7111.6F716 E730 V733 K765F716-R720 CarbonylContact O-C 3.51Å; F716-R720 WeakPolarHBondContact O-CA 3.42Å; F716-R720 PolarHBondContact O-N 3.07Å; R720-E730 HydrophobicContact CB-CG 4.38Å; R720-E730 PolarHBondContact O-N 3.23Å; R720-E730 VanDerWaalsContact O-N 3.12Å; R720-V733 HydrophobicContact CB-CG2 3.87Å; R720-V733 HydrophobicContact CG-CG2 3.88Å; R720-K765 VanDerWaalsContact CG-O 3.23Å; R720-K765 WeakPolarHBondContact CG-O 3.47Å
721P95.5Very high94.3Very high87 Ų8751.2 Ų51.257%0.56531%0.312SS*.BIsolated β-bridgetrans-69.1141.3-178.627.6-33.5000112.2R717 G728R717-P721 WeakPolarHBondContact O-CB 3.16Å; R717-P721 WeakPolarHBondContact O-CD 3.49Å; P721-G728 WeakPolarHBondContact CA-O 3.41Å
722S95.2Very high94.4Very high38 Ų3854.7 Ų54.727%0.26633%0.325SS..  trans-146.1117.9170-177.90000111.1G724 G725 G728S722-G724 VanDerWaalsContact C-N 3.3Å; S722-G724 PolarHBondContact O-N 2.83Å; S722-G725 PolarHBondContact O-N 2.87Å; S722-G728 PolarHBondContact N-O 3.07Å; S722-G728 CarbonylContact O-C 3.51Å; S722-G728 VanDerWaalsContact O-CA 3.26Å; S722-G728 WeakPolarHBondContact O-CA 3.27Å
723A88.6Confident94.4Very high115 Ų11554.7 Ų54.795%0.9533%0.325SS*.THydrogen-bonded Turntrans-64.2-30.9-173.900000113.9
724G90.3Very high94.5Very high82 Ų8253.3 Ų53.385%0.84532%0.319SS*.THydrogen-bonded Turntrans-95.91.9175.700000113.8S722S722-G724 VanDerWaalsContact C-N 3.3Å; S722-G724 PolarHBondContact O-N 2.83Å
725G90.6Very high94.6Very high12 Ų1253.8 Ų53.812%0.12432%0.322CS..SBendtrans-88.9159.1-175.700000113.3S722 F727 G728 I729S722-G725 PolarHBondContact O-N 2.87Å; G725-F727 PolarHBondContact O-N 3.23Å; G725-G728 PolarHBondContact O-N 2.98Å; G725-I729 CarbonylContact C-O 3.58Å; G725-I729 WeakPolarHBondContact CA-O 3.3Å
726P90Very high94.6Very high28 Ų2854 Ų5418%0.18232%0.323CS..G310 helixtrans-53.8129.3175.127.5-39.6000111.4G728 I729 M734 Y806P726-G728 PolarHBondContact O-N 3.12Å; P726-I729 WeakPolarHBondContact CD-O 3.45Å; P726-I729 WeakPolarHBondContact O-CB 3.32Å; P726-I729 PolarHBondContact O-N 3.1Å; P726-M734 HydrophobicContact CB-CG 4.47Å; P726-M734 HydrophobicContact CG-CB 4.11Å; P726-M734 HydrophobicContact CG-CG 3.81Å; P726-Y806 HydrophobicContact CB-CE2 3.6Å; P726-Y806 WeakPolarHBondContact CB-OH 3.19Å; P726-Y806 HydrophobicContact CG-CE2 4.28Å; P726-Y806 WeakPolarHBondContact CG-OH 3.43Å
727F91.5Very high94.7Very high77 Ų7754 Ų5434%0.33832%0.323SS..G310 helixtrans54.820.3-177.7-42.8-72.7000114.7R717 G725 I729 M734 Y806R717-F727 PolarHBondContact NE-O 3.31Å; R717-F727 PolarHBondContact NH2-O 3.48Å; G725-F727 PolarHBondContact O-N 3.23Å; F727-I729 HydrophobicContact CB-CD1 4.01Å; F727-I729 HydrophobicContact CB-CG1 4.48Å; F727-M734 HydrophobicContact CD2-CE 4.19Å; F727-M734 HydrophobicContact CE2-CE 4.09Å; F727-Y806 HydrophobicContact CD2-CE2 4.49Å; F727-Y806 AromaticContact CE2-CD2 3.68Å; F727-Y806 HydrophobicContact CE2-CD2 3.68Å; F727-Y806 AromaticContact CE2-CE2 3.73Å; F727-Y806 HydrophobicContact CE2-CE2 3.73Å; F727-Y806 HydrophobicContact CZ-CD2 4.22Å; F727-Y806 HydrophobicContact CZ-CE2 4.43Å
728G93.8Very high94.8Very high24 Ų2449.9 Ų49.925%0.24731%0.307CS..G310 helixtrans78.218.7-174.400000114.5P721 S722 G725 P726P721-G728 WeakPolarHBondContact CA-O 3.41Å; S722-G728 PolarHBondContact N-O 3.07Å; S722-G728 CarbonylContact O-C 3.51Å; S722-G728 VanDerWaalsContact O-CA 3.26Å; S722-G728 WeakPolarHBondContact O-CA 3.27Å; G725-G728 PolarHBondContact O-N 2.98Å; P726-G728 PolarHBondContact O-N 3.12Å
729I96Very high94.9Very high0 Ų048.7 Ų48.70%029%0.293CS..BIsolated β-bridgetrans-115.7146-174-57.1161.9000109.4Q713 F716 R717 G725 P726 F727 V733 M734Q713-I729 HydrophobicContact CB-CD1 4.06Å; Q713-I729 HydrophobicContact CG-CD1 4.39Å; F716-I729 HydrophobicContact CB-CD1 3.79Å; F716-I729 HydrophobicContact CB-CG1 4.04Å; F716-I729 HydrophobicContact CB-CG2 3.71Å; F716-I729 HydrophobicContact CD2-CD1 4.41Å; R717-I729 HydrophobicContact CB-CG1 4.05Å; G725-I729 CarbonylContact C-O 3.58Å; G725-I729 WeakPolarHBondContact CA-O 3.3Å; P726-I729 WeakPolarHBondContact CD-O 3.45Å; P726-I729 WeakPolarHBondContact O-CB 3.32Å; P726-I729 PolarHBondContact O-N 3.1Å; F727-I729 HydrophobicContact CB-CD1 4.01Å; F727-I729 HydrophobicContact CB-CG1 4.48Å; I729-V733 HydrophobicContact CG2-CB 3.98Å; I729-V733 HydrophobicContact CG2-CG1 3.93Å; I729-M734 HydrophobicContact CB-CG 4.21Å; I729-M734 HydrophobicContact CD1-CG 4.42Å; I729-M734 HydrophobicContact CD1-SD 3.83Å; I729-M734 HydrophobicContact CG2-CG 4.06Å; I729-M734 HydrophobicContact CG2-SD 4.43Å
730E96.5Very high95Very high67 Ų6745.7 Ų45.731%0.31328%0.279SS..  trans-49.3128.5171.3-76.3179171.300112.2R720 E732 V733 M734R720-E730 HydrophobicContact CB-CG 4.38Å; R720-E730 PolarHBondContact O-N 3.23Å; R720-E730 VanDerWaalsContact O-N 3.12Å; E730-E732 VanDerWaalsContact C-N 3.26Å; E730-E732 PolarHBondContact O-N 3.44Å; E730-V733 HydrophobicContact CB-CB 4.35Å; E730-V733 HydrophobicContact CB-CG2 3.88Å; E730-V733 WeakPolarHBondContact O-CB 3.46Å; E730-V733 PolarHBondContact O-N 3.05Å; E730-M734 PolarHBondContact O-N 2.82Å
731P95.5Very high95Very high72 Ų7240.6 Ų40.647%0.46826%0.26SS..Hα-helixtrans-56.1-37.4-178.4-26.532.7000114V733 M734 D735P731-V733 VanDerWaalsContact C-N 3.3Å; P731-V733 PolarHBondContact O-N 3.2Å; P731-M734 PolarHBondContact O-N 2.94Å; P731-D735 PolarHBondContact O-N 3.48Å
732E96.4Very high95.1Very high124 Ų12436.5 Ų36.558%0.57923%0.233SC*.Hα-helixtrans-64-34.5178.6-170.7-176.3167.900112.3E730 D735 N736E730-E732 VanDerWaalsContact C-N 3.26Å; E730-E732 PolarHBondContact O-N 3.44Å; E732-D735 PolarHBondContact O-N 2.94Å; E732-N736 WeakPolarHBondContact O-CB 3.49Å; E732-N736 VanDerWaalsContact O-CG 3.22Å; E732-N736 PolarHBondContact O-N 2.9Å; E732-N736 PolarHBondContact O-ND2 2.82Å
733V97.3Very high95.2Very high4 Ų434.7 Ų34.72%0.02422%0.221CC..Hα-helixtrans-67.4-43.6178.2173.50000110.4F716 R720 I729 E730 P731 N736 Y737 G767F716-V733 HydrophobicContact CB-CG1 4.13Å; F716-V733 HydrophobicContact CD1-CG1 3.76Å; F716-V733 HydrophobicContact CD2-CG1 4.18Å; F716-V733 HydrophobicContact CE1-CG1 4.16Å; F716-V733 HydrophobicContact CG-CG1 3.78Å; R720-V733 HydrophobicContact CB-CG2 3.87Å; R720-V733 HydrophobicContact CG-CG2 3.88Å; I729-V733 HydrophobicContact CG2-CB 3.98Å; I729-V733 HydrophobicContact CG2-CG1 3.93Å; E730-V733 HydrophobicContact CB-CB 4.35Å; E730-V733 HydrophobicContact CB-CG2 3.88Å; E730-V733 WeakPolarHBondContact O-CB 3.46Å; E730-V733 PolarHBondContact O-N 3.05Å; P731-V733 VanDerWaalsContact C-N 3.3Å; P731-V733 PolarHBondContact O-N 3.2Å; V733-N736 PolarHBondContact O-N 3.32Å; V733-Y737 WeakPolarHBondContact O-CB 3.36Å; V733-Y737 PolarHBondContact O-N 2.87Å; V733-G767 WeakPolarHBondContact O-CA 3.47Å
734M96.4Very high95.5Very high0 Ų029.3 Ų29.30%018%0.176CC..Hα-helixtrans-66.3-40.2175.3-73-55.5-57.800112.1F716 P726 F727 I729 E730 P731 Y737 V738 G798 Y806F716-M734 HydrophobicContact CD2-SD 4.06Å; F716-M734 HydrophobicContact CE2-SD 4.43Å; P726-M734 HydrophobicContact CB-CG 4.47Å; P726-M734 HydrophobicContact CG-CB 4.11Å; P726-M734 HydrophobicContact CG-CG 3.81Å; F727-M734 HydrophobicContact CD2-CE 4.19Å; F727-M734 HydrophobicContact CE2-CE 4.09Å; I729-M734 HydrophobicContact CB-CG 4.21Å; I729-M734 HydrophobicContact CD1-CG 4.42Å; I729-M734 HydrophobicContact CD1-SD 3.83Å; I729-M734 HydrophobicContact CG2-CG 4.06Å; I729-M734 HydrophobicContact CG2-SD 4.43Å; E730-M734 PolarHBondContact O-N 2.82Å; P731-M734 PolarHBondContact O-N 2.94Å; M734-Y737 HydrophobicContact CE-CD1 4.36Å; M734-Y737 WeakPolarHBondContact O-CB 3.4Å; M734-Y737 PolarHBondContact O-N 3.13Å; M734-V738 VanDerWaalsContact O-CG2 3.29Å; M734-V738 WeakPolarHBondContact O-CG2 3.49Å; M734-V738 PolarHBondContact O-N 3.31Å; M734-G798 WeakPolarHBondContact CE-O 3.37Å; M734-Y806 HydrophobicContact CB-CE1 4.21Å; M734-Y806 HydrophobicContact CE-CD2 4.32Å; M734-Y806 HydrophobicContact CE-CG 4.49Å
735D96.7Very high95.7Very high52 Ų5225.5 Ų25.528%0.27814%0.136SC..Hα-helixtrans-62.1-47.3174.4179.667.8000111.7P731 E732 Y737 V738 R739P731-D735 PolarHBondContact O-N 3.48Å; E732-D735 PolarHBondContact O-N 2.94Å; D735-Y737 VanDerWaalsContact C-N 3.26Å; D735-Y737 PolarHBondContact O-N 3.39Å; D735-V738 PolarHBondContact O-N 3.4Å; D735-R739 VanDerWaalsContact CG-NE 3.27Å; D735-R739 VanDerWaalsContact O-CB 3.3Å; D735-R739 WeakPolarHBondContact O-CB 3.28Å; D735-R739 VanDerWaalsContact O-CG 3.28Å; D735-R739 WeakPolarHBondContact O-CG 3.16Å; D735-R739 PolarHBondContact O-N 2.92Å; D735-R739 IonicContact OD1-CZ 3.7Å; D735-R739 IonicContact OD1-NE 3.87Å; D735-R739 PolarHBondContact OD1-NE 3.39Å; D735-R739 IonicContact OD1-NH2 3.65Å; D735-R739 VanDerWaalsContact OD2-CD 3.3Å; D735-R739 WeakPolarHBondContact OD2-CD 3.47Å; D735-R739 IonicContact OD2-NE 3.28Å; D735-R739 PolarHBondContact OD2-NE 3.08Å
736N97.8Very high95.9Very high5 Ų524.9 Ų24.93%0.02713%0.13CC..Hα-helixtrans-57.3-41.4175-76.3-27.7000111.7R678 E732 V733 S740 N766 R768R678-N736 WeakPolarHBondContact CD-OD1 3.37Å; R678-N736 VanDerWaalsContact CG-OD1 3.31Å; R678-N736 WeakPolarHBondContact CG-OD1 3.28Å; R678-N736 PolarHBondContact NE-OD1 2.97Å; E732-N736 WeakPolarHBondContact O-CB 3.49Å; E732-N736 VanDerWaalsContact O-CG 3.22Å; E732-N736 PolarHBondContact O-N 2.9Å; E732-N736 PolarHBondContact O-ND2 2.82Å; V733-N736 PolarHBondContact O-N 3.32Å; N736-S740 VanDerWaalsContact O-CB 3.23Å; N736-S740 WeakPolarHBondContact O-CB 3.21Å; N736-S740 PolarHBondContact O-N 3.26Å; N736-S740 PolarHBondContact O-OG 3.25Å; N736-N766 WeakPolarHBondContact CB-O 3.22Å; N736-N766 PolarHBondContact ND2-O 3.12Å; N736-R768 HydrophobicContact CB-CG 4.29Å
737Y97.7Very high96.1Very high0 Ų023.6 Ų23.60%012%0.122CC..Hα-helixtrans-64.3-50.5178.5178.4-110.9000112.6I712 F716 V733 M734 D735 R739 S740 C741 L763 G767 L769 M795 M799I712-Y737 HydrophobicContact CD1-CE2 4.42Å; I712-Y737 WeakPolarHBondContact CD1-OH 3.46Å; I712-Y737 HydrophobicContact CG2-CE2 4.13Å; F716-Y737 HydrophobicContact CE2-CD1 4.23Å; F716-Y737 AromaticContact CE2-CD2 3.87Å; F716-Y737 HydrophobicContact CE2-CD2 3.87Å; F716-Y737 HydrophobicContact CE2-CE2 4.48Å; F716-Y737 AromaticContact CE2-CG 3.73Å; F716-Y737 HydrophobicContact CE2-CG 3.73Å; F716-Y737 AromaticContact CZ-CD2 3.72Å; F716-Y737 HydrophobicContact CZ-CD2 3.72Å; F716-Y737 HydrophobicContact CZ-CE2 4.41Å; F716-Y737 AromaticContact CZ-CG 3.98Å; F716-Y737 HydrophobicContact CZ-CG 3.98Å; V733-Y737 WeakPolarHBondContact O-CB 3.36Å; V733-Y737 PolarHBondContact O-N 2.87Å; M734-Y737 HydrophobicContact CE-CD1 4.36Å; M734-Y737 WeakPolarHBondContact O-CB 3.4Å; M734-Y737 PolarHBondContact O-N 3.13Å; D735-Y737 VanDerWaalsContact C-N 3.26Å; D735-Y737 PolarHBondContact O-N 3.39Å; Y737-R739 PolarHBondContact O-N 2.85Å; Y737-S740 PolarHBondContact O-OG 2.88Å; Y737-C741 WeakPolarHBondContact O-CB 3.47Å; Y737-C741 PolarHBondContact O-N 2.86Å; Y737-L763 HydrophobicContact CD2-CD1 3.87Å; Y737-L763 HydrophobicContact CE2-CD1 4Å; Y737-G767 WeakPolarHBondContact CA-O 3.27Å; Y737-G767 WeakPolarHBondContact CB-O 3.18Å; Y737-G767 PolarHBondContact N-O 3.18Å; Y737-L769 HydrophobicContact CD2-CB 4.36Å; Y737-L769 HydrophobicContact CE2-CB 4.37Å; Y737-L769 HydrophobicContact CE2-CD1 3.88Å; Y737-M795 WeakPolarHBondContact OH-CA 3.2Å; Y737-M795 PolarHBondContact OH-O 3.04Å; Y737-M795 VanDerWaalsContact OH-O 3.09Å; Y737-M799 HydrophobicContact CD1-CG 4.36Å; Y737-M799 HydrophobicContact CE1-CE 4.11Å; Y737-M799 HydrophobicContact CE1-CG 3.85Å
738V97.6Very high96.1Very high2 Ų220 Ų201%0.01211%0.106CC..Hα-helixtrans-63.3-45.6-179.41730000111.2M734 D735 C741 A742 M799 Y806 D809 F810 L813M734-V738 VanDerWaalsContact O-CG2 3.29Å; M734-V738 WeakPolarHBondContact O-CG2 3.49Å; M734-V738 PolarHBondContact O-N 3.31Å; D735-V738 PolarHBondContact O-N 3.4Å; V738-C741 PolarHBondContact O-N 3.29Å; V738-A742 WeakPolarHBondContact O-CB 3.23Å; V738-A742 PolarHBondContact O-N 2.63Å; V738-M799 HydrophobicContact CG2-CG 4.23Å; V738-Y806 HydrophobicContact CG2-CD1 3.84Å; V738-Y806 HydrophobicContact CG2-CG 4.12Å; V738-D809 HydrophobicContact CG1-CB 4.1Å; V738-F810 HydrophobicContact CG1-CB 4.02Å; V738-L813 HydrophobicContact CG1-CD1 4.08Å
739R98.1Very high96Very high63 Ų6319.5 Ų19.524%0.23810%0.097CC..Hα-helixtrans-61.9-49.9178.7-74.4176.8178.5-82.6-10.4112.7D676 L677 R678 D735 Y737 C741 A742 G743 L813D676-R739 WeakPolarHBondContact O-CD 3.33Å; D676-R739 PolarHBondContact O-NH1 2.92Å; L677-R739 CarbonylContact O-C 3.02Å; L677-R739 WeakPolarHBondContact O-CB 3.32Å; R678-R739 HydrophobicContact CB-CB 4.25Å; R678-R739 HydrophobicContact CG-CB 3.97Å; D735-R739 VanDerWaalsContact CG-NE 3.27Å; D735-R739 VanDerWaalsContact O-CB 3.3Å; D735-R739 WeakPolarHBondContact O-CB 3.28Å; D735-R739 VanDerWaalsContact O-CG 3.28Å; D735-R739 WeakPolarHBondContact O-CG 3.16Å; D735-R739 PolarHBondContact O-N 2.92Å; D735-R739 IonicContact OD1-CZ 3.7Å; D735-R739 IonicContact OD1-NE 3.87Å; D735-R739 PolarHBondContact OD1-NE 3.39Å; D735-R739 IonicContact OD1-NH2 3.65Å; D735-R739 VanDerWaalsContact OD2-CD 3.3Å; D735-R739 WeakPolarHBondContact OD2-CD 3.47Å; D735-R739 IonicContact OD2-NE 3.28Å; D735-R739 PolarHBondContact OD2-NE 3.08Å; Y737-R739 PolarHBondContact O-N 2.85Å; R739-C741 VanDerWaalsContact C-N 3.34Å; R739-C741 PolarHBondContact O-N 2.84Å; R739-A742 PolarHBondContact O-N 2.79Å; R739-G743 PolarHBondContact O-N 3.04Å; R739-L813 HydrophobicContact CG-CD1 3.79Å
740S97.9Very high95.7Very high0 Ų019.9 Ų19.90%010%0.099CC..Hα-helixtrans-67.2-38.3-178.559.50000111.5L677 N736 Y737 G743 Y744 L769L677-S740 WeakPolarHBondContact O-CA 3.46Å; L677-S740 PolarHBondContact O-N 3.42Å; N736-S740 VanDerWaalsContact O-CB 3.23Å; N736-S740 WeakPolarHBondContact O-CB 3.21Å; N736-S740 PolarHBondContact O-N 3.26Å; N736-S740 PolarHBondContact O-OG 3.25Å; Y737-S740 PolarHBondContact O-OG 2.88Å; S740-G743 PolarHBondContact O-N 2.78Å; S740-Y744 WeakPolarHBondContact O-CD2 3.47Å; S740-Y744 PolarHBondContact O-N 2.82Å; S740-L769 WeakPolarHBondContact CB-O 3.48Å; S740-L769 PolarHBondContact OG-N 3.24Å
741C96.5Very high95.3Very high1 Ų116.8 Ų16.81%0.0078%0.084CC..Hα-helixtrans-61.6-46.3173.6-173.40000112.3Y737 V738 R739 S745 M795 M799 F810Y737-C741 WeakPolarHBondContact O-CB 3.47Å; Y737-C741 PolarHBondContact O-N 2.86Å; V738-C741 PolarHBondContact O-N 3.29Å; R739-C741 VanDerWaalsContact C-N 3.34Å; R739-C741 PolarHBondContact O-N 2.84Å; C741-S745 VanDerWaalsContact O-CB 3.27Å; C741-S745 WeakPolarHBondContact O-CB 3.46Å; C741-S745 PolarHBondContact O-N 3.16Å; C741-S745 PolarHBondContact O-OG 3.19Å; C741-M795 WeakPolarHBondContact SG-CE 3.42Å; C741-M799 HydrophobicContact CB-CE 3.53Å; C741-M799 WeakPolarHBondContact SG-CE 3.44Å; C741-F810 HydrophobicContact CB-CD2 4.39Å; C741-F810 HydrophobicContact CB-CE2 4.4Å
742A96.6Very high94.9Very high0 Ų013.6 Ų13.60%06%0.064CC..Hα-helixtrans-60.4-47.9176.100000111.4V738 R739 S745 V746 F810 L813 A814V738-A742 WeakPolarHBondContact O-CB 3.23Å; V738-A742 PolarHBondContact O-N 2.63Å; R739-A742 PolarHBondContact O-N 2.79Å; A742-S745 PolarHBondContact O-N 2.83Å; A742-V746 WeakPolarHBondContact O-CG2 3.35Å; A742-V746 PolarHBondContact O-N 3.35Å; A742-V746 VanDerWaalsContact O-N 3.11Å; A742-F810 HydrophobicContact CB-CD2 3.69Å; A742-F810 HydrophobicContact CB-CE2 3.99Å; A742-F810 HydrophobicContact CB-CG 4.47Å; A742-L813 HydrophobicContact CB-CB 3.78Å; A742-A814 HydrophobicContact CB-CB 4.49Å
743G96.6Very high94.5Very high0 Ų07.8 Ų7.80%04%0.037CC..Hα-helixtrans-60.3-53.1179.400000113.4L677 R739 S740 S745 V746 I747L677-G743 VanDerWaalsContact CD1-CA 3.49Å; R739-G743 PolarHBondContact O-N 3.04Å; S740-G743 PolarHBondContact O-N 2.78Å; G743-S745 VanDerWaalsContact C-N 3.27Å; G743-S745 PolarHBondContact O-N 3.12Å; G743-V746 PolarHBondContact O-N 3.24Å; G743-I747 WeakPolarHBondContact O-CB 3.29Å; G743-I747 VanDerWaalsContact O-CG1 3.23Å; G743-I747 WeakPolarHBondContact O-CG1 3.22Å; G743-I747 PolarHBondContact O-N 2.75Å
744Y96.3Very high93.8Very high3 Ų37.7 Ų7.71%0.0124%0.037CC..Hα-helixtrans-66.4-27.5178.6-80.7-74.6000113.3V663 L679 T680 S740 S748 L769 F770 H771V663-Y744 HydrophobicContact CG1-CE1 4.24Å; L679-Y744 HydrophobicContact CB-CE2 4.47Å; L679-Y744 HydrophobicContact CD2-CD2 3.74Å; L679-Y744 HydrophobicContact CD2-CE2 3.71Å; L679-Y744 HydrophobicContact CD2-CG 4.3Å; T680-Y744 PolarHBondContact N-OH 2.7Å; T680-Y744 PolarHBondContact O-OH 3.25Å; T680-Y744 VanDerWaalsContact O-OH 3.09Å; S740-Y744 WeakPolarHBondContact O-CD2 3.47Å; S740-Y744 PolarHBondContact O-N 2.82Å; Y744-S748 WeakPolarHBondContact O-CB 3.42Å; Y744-S748 PolarHBondContact O-N 3.01Å; Y744-S748 PolarHBondContact O-OG 2.82Å; Y744-L769 WeakPolarHBondContact CD2-O 3.26Å; Y744-L769 WeakPolarHBondContact CE2-O 3.25Å; Y744-F770 HydrophobicContact CD2-CB 4.41Å; Y744-F770 HydrophobicContact CE1-CB 4.44Å; Y744-F770 VanDerWaalsContact CE2-CA 3.46Å; Y744-F770 HydrophobicContact CE2-CB 3.55Å; Y744-F770 WeakPolarHBondContact OH-CB 3.49Å; Y744-H771 HydrophobicContact CD1-CB 4.18Å; Y744-H771 AromaticContact CD1-CG 3.93Å; Y744-H771 HydrophobicContact CE1-CB 4.42Å; Y744-H771 AromaticContact CG-CD2 3.98Å
745S94.2Very high93.1Very high1 Ų19.1 Ų9.11%0.0075%0.045CC..Hα-helixtrans-64.9-46.4173.5-64.80000111.8C741 A742 G743 S748 Y749 L791C741-S745 VanDerWaalsContact O-CB 3.27Å; C741-S745 WeakPolarHBondContact O-CB 3.46Å; C741-S745 PolarHBondContact O-N 3.16Å; C741-S745 PolarHBondContact O-OG 3.19Å; A742-S745 PolarHBondContact O-N 2.83Å; G743-S745 VanDerWaalsContact C-N 3.27Å; G743-S745 PolarHBondContact O-N 3.12Å; S745-S748 PolarHBondContact O-OG 2.86Å; S745-Y749 PolarHBondContact O-N 2.7Å; S745-L791 WeakPolarHBondContact OG-CD1 3.28Å
746V95Very high92.6Very high0 Ų07 Ų70%03%0.033CC..Hα-helixtrans-68.1-46.2177.2176.70000111.1A742 G743 S748 Y749 L750 A814 A817 F818 L821 M866A742-V746 WeakPolarHBondContact O-CG2 3.35Å; A742-V746 PolarHBondContact O-N 3.35Å; A742-V746 VanDerWaalsContact O-N 3.11Å; G743-V746 PolarHBondContact O-N 3.24Å; V746-S748 PolarHBondContact O-N 3.31Å; V746-Y749 WeakPolarHBondContact O-CB 3.38Å; V746-Y749 PolarHBondContact O-N 2.8Å; V746-L750 HydrophobicContact CG1-CD1 3.91Å; V746-L750 HydrophobicContact CG1-CG 4.34Å; V746-L750 WeakPolarHBondContact O-CG 3.24Å; V746-L750 PolarHBondContact O-N 2.81Å; V746-A814 HydrophobicContact CG2-CB 3.88Å; V746-A814 WeakPolarHBondContact CG2-O 3.38Å; V746-A817 HydrophobicContact CG2-CB 4.32Å; V746-F818 HydrophobicContact CG1-CB 3.98Å; V746-F818 HydrophobicContact CG1-CD2 4.35Å; V746-L821 HydrophobicContact CG1-CD1 4.12Å; V746-M866 HydrophobicContact CG2-CE 4.16Å
747I93.8Very high92.1Very high1 Ų19.8 Ų9.81%0.0055%0.046CC..Hα-helixtrans-61-45.6179.9-71.2177000111.1V663 M666 L679 G743 Y749 L750 L751 L821V663-I747 HydrophobicContact CG1-CD1 4.34Å; V663-I747 HydrophobicContact CG2-CG2 3.95Å; M666-I747 HydrophobicContact CB-CD1 4.21Å; M666-I747 HydrophobicContact SD-CB 4.29Å; M666-I747 HydrophobicContact SD-CD1 4.25Å; M666-I747 HydrophobicContact SD-CG1 3.72Å; M666-I747 HydrophobicContact SD-CG2 4Å; L679-I747 HydrophobicContact CD1-CD1 3.47Å; L679-I747 VanDerWaalsContact CD1-CD1 3.47Å; L679-I747 HydrophobicContact CD2-CD1 4.26Å; G743-I747 WeakPolarHBondContact O-CB 3.29Å; G743-I747 VanDerWaalsContact O-CG1 3.23Å; G743-I747 WeakPolarHBondContact O-CG1 3.22Å; G743-I747 PolarHBondContact O-N 2.75Å; I747-Y749 VanDerWaalsContact C-N 3.29Å; I747-Y749 PolarHBondContact O-N 2.91Å; I747-L750 PolarHBondContact O-N 3.15Å; I747-L751 HydrophobicContact CG2-CD1 3.77Å; I747-L751 HydrophobicContact CG2-CG 4.3Å; I747-L751 VanDerWaalsContact O-CB 3.3Å; I747-L751 WeakPolarHBondContact O-CB 3.33Å; I747-L751 WeakPolarHBondContact O-CG 3.35Å; I747-L751 PolarHBondContact O-N 2.78Å; I747-L821 HydrophobicContact CG1-CD1 4.39Å
748S91.5Very high91.6Very high1 Ų111.9 Ų11.91%0.0076%0.057CC..Hα-helixtrans-64.4-34.4178.861.60000112.6Y744 S745 V746 G752 I753Y744-S748 WeakPolarHBondContact O-CB 3.42Å; Y744-S748 PolarHBondContact O-N 3.01Å; Y744-S748 PolarHBondContact O-OG 2.82Å; S745-S748 PolarHBondContact O-OG 2.86Å; V746-S748 PolarHBondContact O-N 3.31Å; S748-G752 CarbonylContact O-C 3.57Å; S748-G752 WeakPolarHBondContact O-CA 3.06Å; S748-G752 PolarHBondContact O-N 3.24Å; S748-I753 PolarHBondContact O-N 2.9Å
749Y91.3Very high91.2Very high13 Ų1315.8 Ų15.85%0.0517%0.074CC..Hα-helixtrans-65.2-52.8172.4169-104.2000111.8S745 V746 I747 L751 G752 F818 R852 M866 L869S745-Y749 PolarHBondContact O-N 2.7Å; V746-Y749 WeakPolarHBondContact O-CB 3.38Å; V746-Y749 PolarHBondContact O-N 2.8Å; I747-Y749 VanDerWaalsContact C-N 3.29Å; I747-Y749 PolarHBondContact O-N 2.91Å; Y749-L751 PolarHBondContact O-N 2.93Å; Y749-G752 PolarHBondContact O-N 2.9Å; Y749-G752 VanDerWaalsContact O-N 3.14Å; Y749-F818 HydrophobicContact CD1-CE2 4.44Å; Y749-F818 AromaticContact CE1-CE2 4Å; Y749-F818 HydrophobicContact CE1-CE2 4Å; Y749-R852 HydrophobicContact CE1-CB 4.48Å; Y749-R852 VanDerWaalsContact CE1-O 3.28Å; Y749-R852 WeakPolarHBondContact CE1-O 3.23Å; Y749-R852 WeakPolarHBondContact O-CD 3.35Å; Y749-R852 PolarHBondContact O-NH1 2.88Å; Y749-R852 PolarHBondContact OH-O 3.47Å; Y749-M866 HydrophobicContact CD1-CE 4.48Å; Y749-M866 HydrophobicContact CD1-SD 4.3Å; Y749-M866 HydrophobicContact CE1-SD 4.39Å; Y749-L869 HydrophobicContact CD2-CD1 4.32Å; Y749-L869 HydrophobicContact CE1-CD1 4.21Å; Y749-L869 HydrophobicContact CE2-CD1 3.54Å; Y749-L869 VanDerWaalsContact CZ-CD1 3.48Å; Y749-L869 WeakPolarHBondContact OH-CD1 3.39Å
750L90.7Very high90.9Very high8 Ų813.3 Ų13.34%0.0427%0.066CC..Hα-helixtrans-61.7-44.1-177.5-72.6175.7000112.1V746 I747 G752 F818 L821 F853V746-L750 HydrophobicContact CG1-CD1 3.91Å; V746-L750 HydrophobicContact CG1-CG 4.34Å; V746-L750 WeakPolarHBondContact O-CG 3.24Å; V746-L750 PolarHBondContact O-N 2.81Å; I747-L750 PolarHBondContact O-N 3.15Å; L750-G752 VanDerWaalsContact C-N 3.27Å; L750-G752 PolarHBondContact O-N 3.38Å; L750-F818 HydrophobicContact CD2-CD2 4.01Å; L750-F818 HydrophobicContact CD2-CE2 3.74Å; L750-F818 HydrophobicContact CG-CD2 4.47Å; L750-L821 HydrophobicContact CD1-CB 3.76Å; L750-L821 HydrophobicContact CD1-CD1 3.6Å; L750-L821 HydrophobicContact CD1-CG 4.34Å; L750-F853 HydrophobicContact CB-CZ 4.48Å; L750-F853 HydrophobicContact CD1-CE1 4.06Å; L750-F853 HydrophobicContact CD2-CD1 3.71Å; L750-F853 HydrophobicContact CD2-CE1 3.77Å; L750-F853 HydrophobicContact CD2-CG 4.16Å; L750-F853 HydrophobicContact CD2-CZ 4.23Å; L750-F853 HydrophobicContact CG-CE1 4.38Å
751L87.7Confident90.7Very high2 Ų213.4 Ų13.41%0.017%0.066CC..THydrogen-bonded Turntrans-81.7-4.5179.3-62.2-173.8000113.3I659 M662 M666 I747 Y749 I753 L778 F832I659-L751 HydrophobicContact CD1-CD1 4.49Å; I659-L751 HydrophobicContact CG2-CD1 4.26Å; M662-L751 HydrophobicContact CB-CD1 3.97Å; M662-L751 HydrophobicContact CB-CD2 4.35Å; M666-L751 HydrophobicContact CE-CD1 4.41Å; M666-L751 HydrophobicContact CE-CD2 3.68Å; M666-L751 HydrophobicContact CE-CG 3.98Å; M666-L751 HydrophobicContact SD-CD1 4.35Å; M666-L751 HydrophobicContact SD-CG 4.42Å; I747-L751 HydrophobicContact CG2-CD1 3.77Å; I747-L751 HydrophobicContact CG2-CG 4.3Å; I747-L751 VanDerWaalsContact O-CB 3.3Å; I747-L751 WeakPolarHBondContact O-CB 3.33Å; I747-L751 WeakPolarHBondContact O-CG 3.35Å; I747-L751 PolarHBondContact O-N 2.78Å; Y749-L751 PolarHBondContact O-N 2.93Å; L751-I753 VanDerWaalsContact C-N 3.3Å; L751-I753 HydrophobicContact CB-CD1 4.03Å; L751-I753 HydrophobicContact CB-CG1 3.76Å; L751-I753 HydrophobicContact CD1-CD1 4.19Å; L751-I753 PolarHBondContact O-N 3.01Å; L751-L778 WeakPolarHBondContact O-CA 3.39Å; L751-L778 PolarHBondContact O-N 2.79Å; L751-L778 VanDerWaalsContact O-N 3.08Å; L751-F832 HydrophobicContact CD2-CE2 3.96Å; L751-F832 HydrophobicContact CD2-CZ 3.63Å
752G86.5Confident90.7Very high5 Ų514.6 Ų14.65%0.0527%0.072CC..THydrogen-bonded Turntrans58.339.6-178.300000113.1S748 Y749 L750 G754 I777 L778 G779S748-G752 CarbonylContact O-C 3.57Å; S748-G752 WeakPolarHBondContact O-CA 3.06Å; S748-G752 PolarHBondContact O-N 3.24Å; Y749-G752 PolarHBondContact O-N 2.9Å; Y749-G752 VanDerWaalsContact O-N 3.14Å; L750-G752 VanDerWaalsContact C-N 3.27Å; L750-G752 PolarHBondContact O-N 3.38Å; G752-G754 PolarHBondContact O-N 3.27Å; G752-I777 CarbonylContact O-C 3.53Å; G752-L778 PolarHBondContact O-N 3Å; G752-G779 PolarHBondContact O-N 3.42Å
753I87.6Confident90.8Very high3 Ų314.6 Ų14.62%0.0157%0.072CC..  trans-73.5118.4-177.2-57.6174.8000109.4I659 S748 L751 R756 F774 K790I659-I753 HydrophobicContact CG2-CD1 3.82Å; S748-I753 PolarHBondContact O-N 2.9Å; L751-I753 VanDerWaalsContact C-N 3.3Å; L751-I753 HydrophobicContact CB-CD1 4.03Å; L751-I753 HydrophobicContact CB-CG1 3.76Å; L751-I753 HydrophobicContact CD1-CD1 4.19Å; L751-I753 PolarHBondContact O-N 3.01Å; I753-R756 HydrophobicContact CG2-CG 4.43Å; I753-R756 VanDerWaalsContact CG2-CZ 3.43Å; I753-F774 HydrophobicContact CD1-CD1 3.97Å; I753-F774 HydrophobicContact CD1-CE1 3.87Å; I753-F774 HydrophobicContact CG2-CD1 3.8Å; I753-F774 HydrophobicContact CG2-CE1 4.27Å; I753-K790 WeakPolarHBondContact O-CE 2.94Å
754G83.2Confident90.8Very high1 Ų115 Ų151%0.018%0.075CC..  trans-88177.817800000113.8G752 R756 Y776 R780 D781G752-G754 PolarHBondContact O-N 3.27Å; G754-R756 VanDerWaalsContact C-N 3.3Å; G754-R756 PolarHBondContact O-N 2.85Å; G754-R756 VanDerWaalsContact O-N 3.17Å; G754-R756 PolarHBondContact O-NE 2.79Å; G754-R756 PolarHBondContact O-NH2 2.86Å; G754-Y776 PolarHBondContact N-O 2.89Å; G754-R780 VanDerWaalsContact CA-O 3.31Å; G754-R780 WeakPolarHBondContact CA-O 3.41Å; G754-D781 VanDerWaalsContact CA-OD2 3.28Å; G754-D781 WeakPolarHBondContact CA-OD2 3.22Å
755D81.8Confident90.8Very high31 Ų3118.2 Ų18.217%0.1669%0.089CC..  trans53.839.4170.9-159.325.3000115.6H757 N760 Y776 D781 P782D755-H757 VanDerWaalsContact C-N 3.28Å; D755-H757 PolarHBondContact O-N 2.97Å; D755-H757 IonicContact OD1-CD2 3.78Å; D755-H757 PolarHBondContact OD1-CD2 3.2Å; D755-H757 IonicContact OD1-CG 3.72Å; D755-H757 IonicContact OD1-NE2 2.85Å; D755-H757 IonicContact OD2-CD2 3.72Å; D755-H757 IonicContact OD2-NE2 3.69Å; D755-N760 PolarHBondContact O-ND2 2.77Å; D755-Y776 HydrophobicContact CB-CD2 3.47Å; D755-Y776 VanDerWaalsContact CB-CD2 3.47Å; D755-Y776 HydrophobicContact CB-CE2 4.11Å; D755-Y776 HydrophobicContact CB-CG 4.19Å; D755-D781 PolarHBondContact N-OD2 3.39Å; D755-P782 HydrophobicContact CB-CG 3.83Å
756R87.4Confident90.9Very high7 Ų721 Ų213%0.02610%0.104CC..  trans-81.974.9173.2-61-52.589.8172.45.2110.3I753 G754 L761 H771 V772 D773 R783 K790I753-R756 HydrophobicContact CG2-CG 4.43Å; I753-R756 VanDerWaalsContact CG2-CZ 3.43Å; G754-R756 VanDerWaalsContact C-N 3.3Å; G754-R756 PolarHBondContact O-N 2.85Å; G754-R756 VanDerWaalsContact O-N 3.17Å; G754-R756 PolarHBondContact O-NE 2.79Å; G754-R756 PolarHBondContact O-NH2 2.86Å; R756-L761 HydrophobicContact CB-CD2 4.42Å; R756-H771 WeakPolarHBondContact CD-ND1 3.18Å; R756-V772 PolarHBondContact NH1-O 2.81Å; R756-D773 PolarHBondContact NH1-O 2.81Å; R756-D773 PolarHBondContact NH2-O 2.85Å; R756-R783 PolarHBondContact O-NH2 3Å; R756-K790 HydrophobicContact CB-CB 3.81Å; R756-K790 HydrophobicContact CB-CD 4.22Å; R756-K790 HydrophobicContact CB-CG 3.99Å; R756-K790 HydrophobicContact CG-CB 3.8Å; R756-K790 HydrophobicContact CG-CD 4.27Å; R756-K790 HydrophobicContact CG-CG 3.68Å
757H85.7Confident91Very high64 Ų6421 Ų2130%0.29610%0.104SC..  trans-95.5166.5170.861.943.6000111.3D755 H759 N760D755-H757 VanDerWaalsContact C-N 3.28Å; D755-H757 PolarHBondContact O-N 2.97Å; D755-H757 IonicContact OD1-CD2 3.78Å; D755-H757 PolarHBondContact OD1-CD2 3.2Å; D755-H757 IonicContact OD1-CG 3.72Å; D755-H757 IonicContact OD1-NE2 2.85Å; D755-H757 IonicContact OD2-CD2 3.72Å; D755-H757 IonicContact OD2-NE2 3.69Å; H757-H759 AromaticContact CE1-CD2 3.97Å; H757-H759 PolarHBondContact ND1-N 2.85Å; H757-H759 PolarHBondContact O-N 3.28Å; H757-N760 PolarHBondContact CE1-ND2 3.09Å; H757-N760 PolarHBondContact CE1-OD1 2.78Å; H757-N760 PolarHBondContact ND1-N 3.37Å; H757-N760 PolarHBondContact O-N 2.53Å
758L88.6Confident91.2Very high44 Ų4424.6 Ų24.623%0.2312%0.118CC..THydrogen-bonded Turntrans-58.1-20.6-171.6-61.5173.3000115.5L702 R703 L706 T792L702-L758 HydrophobicContact CB-CB 4.42Å; L702-L758 HydrophobicContact CB-CD2 4.24Å; L702-L758 WeakPolarHBondContact CB-O 3.31Å; L702-L758 HydrophobicContact CD2-CD2 4.46Å; L702-L758 PolarHBondContact N-O 3.16Å; R703-L758 HydrophobicContact CB-CB 4.01Å; R703-L758 PolarHBondContact N-O 2.78Å; L706-L758 HydrophobicContact CD1-CD1 3.89Å; L706-L758 HydrophobicContact CD1-CD2 4.24Å; L758-T792 HydrophobicContact CD2-CG2 4.07Å
759H88.3Confident91.5Very high83 Ų8324.6 Ų24.638%0.38412%0.117SC..THydrogen-bonded Turntrans-78.5-22.6172.8-57.1-85000114.6R703 H757 L761R703-H759 WeakPolarHBondContact CD-CE1 3.28Å; R703-H759 VanDerWaalsContact CD-ND1 3.27Å; R703-H759 WeakPolarHBondContact CD-ND1 3.21Å; R703-H759 PolarHBondContact NH1-CE1 3.47Å; R703-H759 PolarHBondContact NH1-NE2 3.39Å; H757-H759 AromaticContact CE1-CD2 3.97Å; H757-H759 PolarHBondContact ND1-N 2.85Å; H757-H759 PolarHBondContact O-N 3.28Å; H759-L761 VanDerWaalsContact C-N 3.32Å
760N91.2Very high91.7Very high12 Ų1224.2 Ų24.26%0.06412%0.116CC..SBendtrans-94.33.3-177.9-69.7-8.5000111.7D755 H757 H771 V772D755-N760 PolarHBondContact O-ND2 2.77Å; H757-N760 PolarHBondContact CE1-ND2 3.09Å; H757-N760 PolarHBondContact CE1-OD1 2.78Å; H757-N760 PolarHBondContact ND1-N 3.37Å; H757-N760 PolarHBondContact O-N 2.53Å; N760-H771 WeakPolarHBondContact O-CA 3.45Å; N760-V772 PolarHBondContact O-N 3.28Å
761L94.7Very high91.9Very high1 Ų123.8 Ų23.81%0.00511%0.114CC..EExtended strand (participates in β ladder)trans-113.3118.3177.7-53.7178.2000107.2L702 R756 H759 H771 T792 M795L702-L761 HydrophobicContact CB-CB 4.12Å; L702-L761 HydrophobicContact CD1-CB 3.52Å; L702-L761 HydrophobicContact CD1-CD1 3.96Å; L702-L761 HydrophobicContact CD1-CG 4.4Å; L702-L761 HydrophobicContact CG-CB 4.42Å; L702-L761 PolarHBondContact N-O 2.82Å; R756-L761 HydrophobicContact CB-CD2 4.42Å; H759-L761 VanDerWaalsContact C-N 3.32Å; L761-H771 WeakPolarHBondContact CD2-CD2 2.99Å; L761-H771 VanDerWaalsContact CD2-NE2 3.25Å; L761-H771 WeakPolarHBondContact CD2-NE2 3.05Å; L761-T792 HydrophobicContact CD1-CG2 4.05Å; L761-M795 HydrophobicContact CD1-SD 3.87Å
762L96.2Very high92.2Very high26 Ų2625.2 Ų25.214%0.13612%0.122CC..EExtended strand (participates in β ladder)trans-111.7144.3-178.4-76.473.7000109.6S699 D700 T701 L769 F770 V772S699-L762 VanDerWaalsContact OG-CD2 3.32Å; S699-L762 WeakPolarHBondContact OG-CD2 3.26Å; D700-L762 CarbonylContact O-C 3.18Å; D700-L762 WeakPolarHBondContact O-CA 3.33Å; T701-L762 HydrophobicContact CG2-CG 4.46Å; L762-L769 WeakPolarHBondContact O-CA 3.48Å; L762-F770 HydrophobicContact CB-CD1 4.22Å; L762-F770 HydrophobicContact CB-CE1 3.67Å; L762-F770 HydrophobicContact CB-CE2 4.01Å; L762-F770 HydrophobicContact CB-CZ 3.56Å; L762-F770 HydrophobicContact CD2-CE2 4.2Å; L762-F770 HydrophobicContact CD2-CZ 3.88Å; L762-F770 HydrophobicContact CG-CZ 4.32Å; L762-F770 PolarHBondContact N-O 2.95Å; L762-F770 PolarHBondContact O-N 3Å; L762-V772 HydrophobicContact CD1-CB 4.14Å; L762-V772 HydrophobicContact CD1-CG1 3.79Å; L762-V772 HydrophobicContact CD1-CG2 3.28Å; L762-V772 HydrophobicContact CD2-CG1 4.26Å
763L97.5Very high92.1Very high0 Ų028.6 Ų28.60%014%0.139CC..EExtended strand (participates in β ladder)trans-124123.9-176-167.564.3000110S699 D700 V705 I712 F715 F716 Y737 L769S699-L763 WeakPolarHBondContact CA-O 3.31Å; S699-L763 WeakPolarHBondContact CB-O 3.22Å; D700-L763 PolarHBondContact N-O 3.25Å; D700-L763 PolarHBondContact O-N 3.39Å; V705-L763 HydrophobicContact CG1-CD2 4.34Å; V705-L763 HydrophobicContact CG2-CB 4.49Å; V705-L763 HydrophobicContact CG2-CD2 4.38Å; I712-L763 HydrophobicContact CG2-CD2 3.9Å; F715-L763 HydrophobicContact CD1-CD2 3.63Å; F715-L763 HydrophobicContact CD1-CG 4.36Å; F715-L763 HydrophobicContact CE1-CD2 3.77Å; F715-L763 HydrophobicContact CE1-CG 4Å; F716-L763 HydrophobicContact CE1-CD1 3.98Å; F716-L763 HydrophobicContact CE1-CD2 3.71Å; F716-L763 HydrophobicContact CE1-CG 3.83Å; F716-L763 HydrophobicContact CZ-CD1 3.62Å; F716-L763 HydrophobicContact CZ-CD2 3.73Å; F716-L763 HydrophobicContact CZ-CG 3.94Å; Y737-L763 HydrophobicContact CD2-CD1 3.87Å; Y737-L763 HydrophobicContact CE2-CD1 4Å; L763-L769 HydrophobicContact CD1-CB 4.03Å; L763-L769 HydrophobicContact CD1-CD1 4.38Å
764C97.6Very high92.1Very high9 Ų928.5 Ų28.56%0.06114%0.139CC..  trans-86.8150.8174.3-65.90000110.8N766 G767 R768C764-N766 WeakPolarHBondContact CB-OD1 3.34Å; C764-N766 PolarHBondContact O-N 2.98Å; C764-G767 PolarHBondContact O-N 2.89Å; C764-R768 HydrophobicContact CB-CB 4.24Å; C764-R768 WeakPolarHBondContact CB-O 3.3Å; C764-R768 PolarHBondContact N-O 2.95Å
765K96.5Very high91.8Very high71 Ų7129.8 Ų29.831%0.30915%0.153SC..THydrogen-bonded Turntrans-60.7-14175.1-62.3170.6-175.11610114.2E698 F715 H719 R720E698-K765 IonicContact OE1-NZ 3.02Å; E698-K765 PolarHBondContact OE1-NZ 2.88Å; F715-K765 HydrophobicContact CZ-CG 4.05Å; H719-K765 HydrophobicContact CB-CB 4.41Å; H719-K765 HydrophobicContact CB-CG 4.48Å; R720-K765 VanDerWaalsContact CG-O 3.23Å; R720-K765 WeakPolarHBondContact CG-O 3.47Å
766N96.4Very high91.5Very high59 Ų5933 Ų3332%0.31616%0.163SC..THydrogen-bonded Turntrans-96.49.1176.969.1-6.8000113.6N736 C764 R768N736-N766 WeakPolarHBondContact CB-O 3.22Å; N736-N766 PolarHBondContact ND2-O 3.12Å; C764-N766 WeakPolarHBondContact CB-OD1 3.34Å; C764-N766 PolarHBondContact O-N 2.98Å; N766-R768 PolarHBondContact OD1-N 2.93Å
767G96.8Very high91.1Very high0 Ų032.7 Ų32.70%016%0.162CC..SBendtrans95.4-17.1178.100000114.6V733 Y737 C764 L769V733-G767 WeakPolarHBondContact O-CA 3.47Å; Y737-G767 WeakPolarHBondContact CA-O 3.27Å; Y737-G767 WeakPolarHBondContact CB-O 3.18Å; Y737-G767 PolarHBondContact N-O 3.18Å; C764-G767 PolarHBondContact O-N 2.89Å; G767-L769 PolarHBondContact O-N 3.23Å
768R97.9Very high90.4Very high77 Ų7730.4 Ų30.429%0.29115%0.152SC..  trans-67.8123.6-177.8-64.4-174.3-176.8-178.1-1.7111.4N736 C764 N766N736-R768 HydrophobicContact CB-CG 4.29Å; C764-R768 HydrophobicContact CB-CB 4.24Å; C764-R768 WeakPolarHBondContact CB-O 3.3Å; C764-R768 PolarHBondContact N-O 2.95Å; N766-R768 PolarHBondContact OD1-N 2.93Å
769L97.2Very high89.5Confident0 Ų030.2 Ų30.20%016%0.161CC..EExtended strand (participates in β ladder)trans-100136.3170.8-179.7140.8000109.4L702 Y737 S740 Y744 L762 L763 G767 M795L702-L769 HydrophobicContact CD1-CD1 3.6Å; Y737-L769 HydrophobicContact CD2-CB 4.36Å; Y737-L769 HydrophobicContact CE2-CB 4.37Å; Y737-L769 HydrophobicContact CE2-CD1 3.88Å; S740-L769 WeakPolarHBondContact CB-O 3.48Å; S740-L769 PolarHBondContact OG-N 3.24Å; Y744-L769 WeakPolarHBondContact CD2-O 3.26Å; Y744-L769 WeakPolarHBondContact CE2-O 3.25Å; L762-L769 WeakPolarHBondContact O-CA 3.48Å; L763-L769 HydrophobicContact CD1-CB 4.03Å; L763-L769 HydrophobicContact CD1-CD1 4.38Å; G767-L769 PolarHBondContact O-N 3.23Å; L769-M795 HydrophobicContact CD1-CE 4Å; L769-M795 HydrophobicContact CD1-CG 4.46Å; L769-M795 HydrophobicContact CD2-CE 4.11Å
770F97Very high88.5Confident5 Ų532.3 Ų32.32%0.02217%0.165CC..EExtended strand (participates in β ladder)trans-146.8157.117668.1-79.4000112.3Y682 I697 S699 Y744 L762 V772Y682-F770 AromaticContact CD1-CD2 3.95Å; Y682-F770 HydrophobicContact CD1-CD2 3.95Å; Y682-F770 HydrophobicContact CD1-CE2 4.15Å; Y682-F770 AromaticContact CE1-CD2 3.94Å; Y682-F770 HydrophobicContact CE1-CD2 3.94Å; Y682-F770 HydrophobicContact CE1-CE2 4.24Å; I697-F770 HydrophobicContact CB-CE1 4.38Å; I697-F770 HydrophobicContact CB-CZ 3.85Å; I697-F770 HydrophobicContact CG1-CZ 4.36Å; I697-F770 HydrophobicContact CG2-CE1 4.01Å; I697-F770 HydrophobicContact CG2-CZ 4Å; S699-F770 WeakPolarHBondContact OG-CZ 3.41Å; Y744-F770 HydrophobicContact CD2-CB 4.41Å; Y744-F770 HydrophobicContact CE1-CB 4.44Å; Y744-F770 VanDerWaalsContact CE2-CA 3.46Å; Y744-F770 HydrophobicContact CE2-CB 3.55Å; Y744-F770 WeakPolarHBondContact OH-CB 3.49Å; L762-F770 HydrophobicContact CB-CD1 4.22Å; L762-F770 HydrophobicContact CB-CE1 3.67Å; L762-F770 HydrophobicContact CB-CE2 4.01Å; L762-F770 HydrophobicContact CB-CZ 3.56Å; L762-F770 HydrophobicContact CD2-CE2 4.2Å; L762-F770 HydrophobicContact CD2-CZ 3.88Å; L762-F770 HydrophobicContact CG-CZ 4.32Å; L762-F770 PolarHBondContact N-O 2.95Å; L762-F770 PolarHBondContact O-N 3Å; F770-V772 HydrophobicContact CD2-CG1 3.96Å; F770-V772 HydrophobicContact CE2-CG1 3.61Å
771H94.6Very high87.5Confident0 Ų033 Ų330%017%0.169CC..EExtended strand (participates in β ladder)trans-99.8146-177-64-169.7000110.1Y682 Y744 R756 N760 L761 F774Y682-H771 WeakPolarHBondContact CE1-O 3.22Å; Y744-H771 HydrophobicContact CD1-CB 4.18Å; Y744-H771 AromaticContact CD1-CG 3.93Å; Y744-H771 HydrophobicContact CE1-CB 4.42Å; Y744-H771 AromaticContact CG-CD2 3.98Å; R756-H771 WeakPolarHBondContact CD-ND1 3.18Å; N760-H771 WeakPolarHBondContact O-CA 3.45Å; L761-H771 WeakPolarHBondContact CD2-CD2 2.99Å; L761-H771 VanDerWaalsContact CD2-NE2 3.25Å; L761-H771 WeakPolarHBondContact CD2-NE2 3.05Å; H771-F774 HydrophobicContact CB-CE1 4.02Å; H771-F774 HydrophobicContact CB-CZ 4.19Å; H771-F774 WeakPolarHBondContact O-CZ 3.47Å
772V92.6Very high86.3Confident31 Ų3136.2 Ų36.219%0.18819%0.19CC..  trans-129.6173.6172.1-58.40000110.8Y682 R756 N760 L762 F770Y682-V772 HydrophobicContact CE1-CG1 4.06Å; R756-V772 PolarHBondContact NH1-O 2.81Å; N760-V772 PolarHBondContact O-N 3.28Å; L762-V772 HydrophobicContact CD1-CB 4.14Å; L762-V772 HydrophobicContact CD1-CG1 3.79Å; L762-V772 HydrophobicContact CD1-CG2 3.28Å; L762-V772 HydrophobicContact CD2-CG1 4.26Å; F770-V772 HydrophobicContact CD2-CG1 3.96Å; F770-V772 HydrophobicContact CE2-CG1 3.61Å
773D86.2Confident84.8Confident76 Ų7639.4 Ų39.441%0.40620%0.2SC..  trans57.886.1174.8-163.3-17.5000112.2R756 G775R756-D773 PolarHBondContact NH1-O 2.81Å; R756-D773 PolarHBondContact NH2-O 2.85Å; D773-G775 VanDerWaalsContact C-N 3.34Å; D773-G775 PolarHBondContact O-N 2.79Å
774F86.4Confident83Confident1 Ų147.5 Ų47.50%0.00424%0.241CC..  trans-96.339.4-174.3-58.9-71.1000113Q655 D656 I659 I660 Y682 I753 H771 Y776 I777Q655-F774 PolarHBondContact NE2-O 2.84Å; D656-F774 HydrophobicContact CB-CD2 4.26Å; D656-F774 PolarHBondContact OD1-N 2.89Å; I659-F774 HydrophobicContact CB-CB 4.22Å; I659-F774 HydrophobicContact CB-CD1 4.39Å; I659-F774 HydrophobicContact CB-CD2 4Å; I659-F774 HydrophobicContact CB-CE2 4.47Å; I659-F774 HydrophobicContact CB-CG 3.94Å; I659-F774 HydrophobicContact CG1-CB 3.99Å; I659-F774 HydrophobicContact CG1-CG 4.22Å; I659-F774 HydrophobicContact CG2-CB 4.38Å; I659-F774 HydrophobicContact CG2-CD1 3.66Å; I659-F774 HydrophobicContact CG2-CD2 3.88Å; I659-F774 HydrophobicContact CG2-CE1 3.79Å; I659-F774 HydrophobicContact CG2-CE2 3.99Å; I659-F774 HydrophobicContact CG2-CG 3.7Å; I659-F774 HydrophobicContact CG2-CZ 3.95Å; I660-F774 HydrophobicContact CD1-CE2 3.62Å; I660-F774 HydrophobicContact CD1-CZ 4.1Å; I660-F774 HydrophobicContact CG1-CD2 4.48Å; I660-F774 HydrophobicContact CG1-CE2 3.84Å; Y682-F774 VanDerWaalsContact OH-CE2 3.31Å; Y682-F774 WeakPolarHBondContact OH-CE2 3.2Å; I753-F774 HydrophobicContact CD1-CD1 3.97Å; I753-F774 HydrophobicContact CD1-CE1 3.87Å; I753-F774 HydrophobicContact CG2-CD1 3.8Å; I753-F774 HydrophobicContact CG2-CE1 4.27Å; H771-F774 HydrophobicContact CB-CE1 4.02Å; H771-F774 HydrophobicContact CB-CZ 4.19Å; H771-F774 WeakPolarHBondContact O-CZ 3.47Å; F774-Y776 PolarHBondContact O-N 3.2Å; F774-I777 HydrophobicContact CB-CG2 4.13Å; F774-I777 VanDerWaalsContact O-CG2 3.23Å; F774-I777 WeakPolarHBondContact O-CG2 3.47Å
775G76.7Confident81.5Confident29 Ų2954.8 Ų54.830%0.29928%0.279SS..  trans-61.3-25.3-179.700000115.4Q655 D773Q655-G775 VanDerWaalsContact NE2-C 3.25Å; Q655-G775 PolarHBondContact NE2-O 3.25Å; D773-G775 VanDerWaalsContact C-N 3.34Å; D773-G775 PolarHBondContact O-N 2.79Å
776Y76.8Confident80.2Confident98 Ų9853.6 Ų53.638%0.38428%0.278SS..SBendtrans-117.6112.7176.8-62.5-85.3000110.7G754 D755 F774 R780 P782G754-Y776 PolarHBondContact N-O 2.89Å; D755-Y776 HydrophobicContact CB-CD2 3.47Å; D755-Y776 VanDerWaalsContact CB-CD2 3.47Å; D755-Y776 HydrophobicContact CB-CE2 4.11Å; D755-Y776 HydrophobicContact CB-CG 4.19Å; F774-Y776 PolarHBondContact O-N 3.2Å; Y776-R780 HydrophobicContact CD1-CB 4.43Å; Y776-P782 HydrophobicContact CD2-CG 4.38Å; Y776-P782 HydrophobicContact CE1-CB 4.46Å; Y776-P782 HydrophobicContact CE2-CG 4.1Å
777I77.5Confident79Confident1 Ų151.7 Ų51.71%0.00527%0.27CS..  trans-131.7168.9-176.664.7170.3000112.1Q655 I659 G752 F774 G779 R780 I843Q655-I777 HydrophobicContact CG-CD1 3.71Å; Q655-I777 HydrophobicContact CG-CG1 4.32Å; Q655-I777 HydrophobicContact CG-CG2 4.44Å; I659-I777 HydrophobicContact CD1-CB 4.2Å; I659-I777 HydrophobicContact CD1-CD1 4.15Å; I659-I777 HydrophobicContact CD1-CG2 3.77Å; I659-I777 HydrophobicContact CG1-CG2 3.74Å; G752-I777 CarbonylContact O-C 3.53Å; F774-I777 HydrophobicContact CB-CG2 4.13Å; F774-I777 VanDerWaalsContact O-CG2 3.23Å; F774-I777 WeakPolarHBondContact O-CG2 3.47Å; I777-G779 VanDerWaalsContact C-N 3.27Å; I777-G779 PolarHBondContact O-N 3.29Å; I777-R780 PolarHBondContact O-N 2.93Å; I777-I843 HydrophobicContact CD1-CG1 4.48Å
778L72.5Confident78Confident15 Ų1553.7 Ų53.78%0.07928%0.283CS..THydrogen-bonded Turntrans5438.7170.4-52.6172.6000114.4L751 G752 F832 K849L751-L778 WeakPolarHBondContact O-CA 3.39Å; L751-L778 PolarHBondContact O-N 2.79Å; L751-L778 VanDerWaalsContact O-N 3.08Å; G752-L778 PolarHBondContact O-N 3Å; L778-F832 HydrophobicContact CD2-CE1 4.12Å; L778-F832 HydrophobicContact CD2-CZ 4.31Å; L778-K849 HydrophobicContact CB-CD 4.05Å; L778-K849 VanDerWaalsContact CB-CE 3.48Å; L778-K849 HydrophobicContact CD1-CD 4.49Å; L778-K849 VanDerWaalsContact CD1-NZ 3.29Å; L778-K849 HydrophobicContact CD2-CD 4.28Å; L778-K849 WeakPolarHBondContact O-CE 3.33Å
779G68.9Low77.2Confident41 Ų4150.1 Ų50.142%0.42327%0.269SS..THydrogen-bonded Turntrans104.3-13.4173.800000114.6G752 I777G752-G779 PolarHBondContact O-N 3.42Å; I777-G779 VanDerWaalsContact C-N 3.27Å; I777-G779 PolarHBondContact O-N 3.29Å
780R68.3Low76.5Confident126 Ų12651 Ų5148%0.47527%0.273SS..  trans-74136.8174.4-62.9-172.1178.5-174.76.6110.6G754 Y776 I777 D842G754-R780 VanDerWaalsContact CA-O 3.31Å; G754-R780 WeakPolarHBondContact CA-O 3.41Å; Y776-R780 HydrophobicContact CD1-CB 4.43Å; I777-R780 PolarHBondContact O-N 2.93Å; R780-D842 IonicContact CZ-OD1 2.69Å; R780-D842 IonicContact CZ-OD2 2.63Å; R780-D842 IonicContact NH1-OD1 3.29Å; R780-D842 PolarHBondContact NH1-OD1 3.17Å; R780-D842 IonicContact NH1-OD2 3.67Å; R780-D842 PolarHBondContact NH1-OD2 3.29Å; R780-D842 IonicContact NH2-OD1 3.6Å
781D70Confident76Confident27 Ų2751.1 Ų51.114%0.14427%0.274CS..  trans-146.2141.9171.2-159.1-67.1000107.9G754 D755 R783 P786 K790G754-D781 VanDerWaalsContact CA-OD2 3.28Å; G754-D781 WeakPolarHBondContact CA-OD2 3.22Å; D755-D781 PolarHBondContact N-OD2 3.39Å; D781-R783 PolarHBondContact O-N 3.39Å; D781-R783 VanDerWaalsContact OD1-CB 3.23Å; D781-R783 WeakPolarHBondContact OD1-CB 3.34Å; D781-R783 WeakPolarHBondContact OD1-CG 3.35Å; D781-R783 PolarHBondContact OD1-N 3.31Å; D781-R783 IonicContact OD1-NE 3.13Å; D781-R783 PolarHBondContact OD1-NE 3.45Å; D781-P786 HydrophobicContact CB-CB 3.94Å; D781-P786 HydrophobicContact CB-CG 3.79Å; D781-K790 IonicContact OD2-NZ 3.36Å; D781-K790 PolarHBondContact OD2-NZ 3.37Å
782P68.3Low75.5Confident68 Ų6851.6 Ų51.644%0.44228%0.277SS..SBendtrans-65.3-18172.325.7-34.5000112.7D755 Y776D755-P782 HydrophobicContact CB-CG 3.83Å; Y776-P782 HydrophobicContact CD2-CG 4.38Å; Y776-P782 HydrophobicContact CE1-CB 4.46Å; Y776-P782 HydrophobicContact CE2-CG 4.1Å
783R64.9Low75.2Confident94 Ų9453.9 Ų53.936%0.35528%0.284SS..SBendtrans-83.1142.9176.9-65.4177-90.6-156.1-10.5111.3R756 D781 P786R756-R783 PolarHBondContact O-NH2 3Å; D781-R783 PolarHBondContact O-N 3.39Å; D781-R783 VanDerWaalsContact OD1-CB 3.23Å; D781-R783 WeakPolarHBondContact OD1-CB 3.34Å; D781-R783 WeakPolarHBondContact OD1-CG 3.35Å; D781-R783 PolarHBondContact OD1-N 3.31Å; D781-R783 IonicContact OD1-NE 3.13Å; D781-R783 PolarHBondContact OD1-NE 3.45Å; R783-P786 WeakPolarHBondContact O-CD 3.27Å
784I59.6Low75.3Confident169 Ų16953 Ų5387%0.86728%0.277SS*.SBendtrans-67-39.2-177.9-59.3171.5000112.1
785L67.1Low75.6Confident162 Ų16252.9 Ų52.985%0.84828%0.277SS*.SBendtrans-133.775.1-179.9-76.4161.4000109.6
786P68.5Low76.3Confident46 Ų4651.9 Ų51.930%0.29927%0.265SS..  trans-69.7139.4179.626.5-30.2000110.5D781 R783 K790D781-P786 HydrophobicContact CB-CB 3.94Å; D781-P786 HydrophobicContact CB-CG 3.79Å; R783-P786 WeakPolarHBondContact O-CD 3.27Å; P786-K790 VanDerWaalsContact CB-NZ 3.26Å
787P72.1Confident77Confident20 Ų2051.5 Ų51.513%0.1327%0.267CS..  trans-61.2141.7169.326.6-32.8000109.3V789 K790P787-V789 VanDerWaalsContact C-N 3.34Å; P787-V789 PolarHBondContact O-N 2.79Å; P787-K790 PolarHBondContact O-NZ 3.01Å
788P75Confident77.6Confident42 Ų4251.6 Ų51.627%0.27327%0.268SS..SBendtrans-64.5-39.3-175.621.3-29.7000111.8L869 S873P788-L869 HydrophobicContact CB-CD2 3.88Å; P788-L869 HydrophobicContact CG-CD2 3.77Å; P788-S873 WeakPolarHBondContact CD-OG 3.35Å; P788-S873 WeakPolarHBondContact CG-OG 3.22Å
789V81.2Confident78.7Confident1 Ų150.9 Ų50.91%0.00626%0.264CS..SBendtrans-101.8127.9173.4-175.90000109.5P787 L791 M866 L869 I870 S873P787-V789 VanDerWaalsContact C-N 3.34Å; P787-V789 PolarHBondContact O-N 2.79Å; V789-L791 PolarHBondContact O-N 3.39Å; V789-M866 HydrophobicContact CG2-CE 4.18Å; V789-L869 HydrophobicContact CG2-CB 4.2Å; V789-I870 HydrophobicContact CG2-CG1 4.2Å; V789-S873 PolarHBondContact N-OG 3.1Å; V789-S873 VanDerWaalsContact N-OG 3.11Å
790K82.8Confident79.7Confident19 Ų1950.4 Ų50.48%0.08326%0.259CS..  trans-84.875-174.8-57.6-60.8-176.2-172.30111.5I753 R756 D781 P786 P787I753-K790 WeakPolarHBondContact O-CE 2.94Å; R756-K790 HydrophobicContact CB-CB 3.81Å; R756-K790 HydrophobicContact CB-CD 4.22Å; R756-K790 HydrophobicContact CB-CG 3.99Å; R756-K790 HydrophobicContact CG-CB 3.8Å; R756-K790 HydrophobicContact CG-CD 4.27Å; R756-K790 HydrophobicContact CG-CG 3.68Å; D781-K790 IonicContact OD2-NZ 3.36Å; D781-K790 PolarHBondContact OD2-NZ 3.37Å; P786-K790 VanDerWaalsContact CB-NZ 3.26Å; P787-K790 PolarHBondContact O-NZ 3.01Å
791L85.7Confident80.6Confident7 Ų745.2 Ų45.24%0.03725%0.245CC..  trans-119.9123.5-179.8-16178.7000110.8S745 V789 M795 I796 W807 F810 K877S745-L791 WeakPolarHBondContact OG-CD1 3.28Å; V789-L791 PolarHBondContact O-N 3.39Å; L791-M795 HydrophobicContact CD1-CE 4.08Å; L791-I796 HydrophobicContact CD2-CD1 3.68Å; L791-I796 HydrophobicContact CD2-CG1 3.59Å; L791-I796 HydrophobicContact CG-CD1 4.34Å; L791-I796 HydrophobicContact CG-CG1 4.07Å; L791-W807 HydrophobicContact CD2-CH2 3.51Å; L791-W807 HydrophobicContact CD2-CZ3 3.59Å; L791-F810 HydrophobicContact CD1-CE1 4.42Å; L791-F810 HydrophobicContact CD1-CE2 3.84Å; L791-F810 HydrophobicContact CD1-CZ 3.59Å; L791-F810 HydrophobicContact CD2-CE1 4.22Å; L791-F810 HydrophobicContact CD2-CZ 4.16Å; L791-K877 VanDerWaalsContact O-CE 3.32Å; L791-K877 WeakPolarHBondContact O-CE 3.28Å; L791-K877 PolarHBondContact O-NZ 2.75Å
792T85.5Confident81.2Confident11 Ų1148.6 Ų48.67%0.06726%0.258CS..  trans-91.3158179.384.80000112.7L758 L761 E794 M795 I796L758-T792 HydrophobicContact CD2-CG2 4.07Å; L761-T792 HydrophobicContact CD1-CG2 4.05Å; T792-E794 WeakPolarHBondContact CB-OE2 3.39Å; T792-E794 PolarHBondContact O-N 3.17Å; T792-E794 PolarHBondContact OG1-OE2 3.08Å; T792-M795 HydrophobicContact CG2-SD 3.95Å; T792-M795 WeakPolarHBondContact O-CB 3.27Å; T792-M795 PolarHBondContact O-N 2.92Å; T792-M795 VanDerWaalsContact O-N 3.17Å; T792-M795 WeakPolarHBondContact OG1-CG 3.44Å; T792-M795 PolarHBondContact OG1-N 3.23Å; T792-I796 WeakPolarHBondContact O-CG1 3.14Å; T792-I796 PolarHBondContact O-N 3.12Å
793K84.7Confident81.8Confident79 Ų7951.2 Ų51.234%0.34328%0.278SS..Hα-helixtrans-60.5-42.4-178.4-173.4-154.7-175.3-145.70110.3M795 I796 E797 I881K793-M795 PolarHBondContact O-N 2.81Å; K793-I796 WeakPolarHBondContact O-CB 3.23Å; K793-I796 PolarHBondContact O-N 2.87Å; K793-E797 WeakPolarHBondContact CE-OE1 3.47Å; K793-E797 IonicContact NZ-OE1 3.22Å; K793-E797 PolarHBondContact NZ-OE1 2.95Å; K793-E797 WeakPolarHBondContact O-CG 3.45Å; K793-E797 PolarHBondContact O-N 3.04Å; K793-I881 HydrophobicContact CD-CD1 3.62Å; K793-I881 HydrophobicContact CG-CD1 4.07Å
794E88.9Confident82.7Confident56 Ų5647.2 Ų47.226%0.26227%0.266SS..Hα-helixtrans-63.8-33.3-179.4-51.781.5-174.900110.9L706 I712 T792 G798L706-E794 HydrophobicContact CD1-CB 3.95Å; L706-E794 HydrophobicContact CD1-CG 3.7Å; L706-E794 HydrophobicContact CD2-CB 4.11Å; L706-E794 HydrophobicContact CD2-CG 4.23Å; I712-E794 VanDerWaalsContact CD1-O 3.23Å; I712-E794 WeakPolarHBondContact CD1-O 3.46Å; T792-E794 WeakPolarHBondContact CB-OE2 3.39Å; T792-E794 PolarHBondContact O-N 3.17Å; T792-E794 PolarHBondContact OG1-OE2 3.08Å; E794-G798 PolarHBondContact O-N 2.97Å
795M92.9Very high84.3Confident0 Ų043.4 Ų43.40%025%0.253CS..Hα-helixtrans-66.6-38.2174.1-66.6165.367.900112.1L702 Y737 C741 L761 L769 L791 T792 K793 G798 M799L702-M795 HydrophobicContact CD1-CG 4.27Å; Y737-M795 WeakPolarHBondContact OH-CA 3.2Å; Y737-M795 PolarHBondContact OH-O 3.04Å; Y737-M795 VanDerWaalsContact OH-O 3.09Å; C741-M795 WeakPolarHBondContact SG-CE 3.42Å; L761-M795 HydrophobicContact CD1-SD 3.87Å; L769-M795 HydrophobicContact CD1-CE 4Å; L769-M795 HydrophobicContact CD1-CG 4.46Å; L769-M795 HydrophobicContact CD2-CE 4.11Å; L791-M795 HydrophobicContact CD1-CE 4.08Å; T792-M795 HydrophobicContact CG2-SD 3.95Å; T792-M795 WeakPolarHBondContact O-CB 3.27Å; T792-M795 PolarHBondContact O-N 2.92Å; T792-M795 VanDerWaalsContact O-N 3.17Å; T792-M795 WeakPolarHBondContact OG1-CG 3.44Å; T792-M795 PolarHBondContact OG1-N 3.23Å; K793-M795 PolarHBondContact O-N 2.81Å; M795-G798 PolarHBondContact O-N 2.82Å; M795-M799 PolarHBondContact O-N 2.79Å
796I91.8Very high85.6Confident8 Ų837.9 Ų37.94%0.04122%0.221CC..Hα-helixtrans-72.2-42.9178.1-57169.4000110.4L791 T792 K793 G798 M799 G801 F802 W807 I874L791-I796 HydrophobicContact CD2-CD1 3.68Å; L791-I796 HydrophobicContact CD2-CG1 3.59Å; L791-I796 HydrophobicContact CG-CD1 4.34Å; L791-I796 HydrophobicContact CG-CG1 4.07Å; T792-I796 WeakPolarHBondContact O-CG1 3.14Å; T792-I796 PolarHBondContact O-N 3.12Å; K793-I796 WeakPolarHBondContact O-CB 3.23Å; K793-I796 PolarHBondContact O-N 2.87Å; I796-G798 PolarHBondContact O-N 2.82Å; I796-M799 WeakPolarHBondContact O-CB 3.32Å; I796-M799 PolarHBondContact O-N 3.31Å; I796-G801 PolarHBondContact O-N 3.06Å; I796-F802 HydrophobicContact CD1-CE1 3.72Å; I796-F802 HydrophobicContact CD1-CZ 3.99Å; I796-F802 HydrophobicContact CG2-CD1 3.91Å; I796-F802 HydrophobicContact CG2-CE1 3.75Å; I796-F802 HydrophobicContact CG2-CG 4.39Å; I796-F802 HydrophobicContact CG2-CZ 4.09Å; I796-W807 HydrophobicContact CD1-CH2 4.44Å; I796-W807 HydrophobicContact CD1-CZ3 4.47Å; I796-W807 HydrophobicContact CG1-CE3 4.47Å; I796-W807 HydrophobicContact CG1-CH2 4.38Å; I796-W807 HydrophobicContact CG1-CZ3 3.92Å; I796-W807 HydrophobicContact CG2-CD2 4.43Å; I796-W807 HydrophobicContact CG2-CE3 4.03Å; I796-W807 HydrophobicContact CG2-CZ3 4.26Å; I796-I874 HydrophobicContact CD1-CG1 4.13Å
797E90.2Very high86.8Confident90 Ų9036.2 Ų36.242%0.42121%0.208SC..Hα-helixtrans-59.1-37.9173.3-72.2176.1170.100111.2Q713 K793 M799 G800Q713-E797 PolarHBondContact NE2-O 2.85Å; K793-E797 WeakPolarHBondContact CE-OE1 3.47Å; K793-E797 IonicContact NZ-OE1 3.22Å; K793-E797 PolarHBondContact NZ-OE1 2.95Å; K793-E797 WeakPolarHBondContact O-CG 3.45Å; K793-E797 PolarHBondContact O-N 3.04Å; E797-M799 PolarHBondContact O-N 3.04Å; E797-G800 PolarHBondContact O-N 3.26Å
798G91.7Very high87.7Confident3 Ų339.2 Ų39.23%0.03122%0.221CC..Hα-helixtrans-54.2-33.6171.700000113.6Q713 M734 E794 M795 I796 G800Q713-G798 WeakPolarHBondContact CG-O 3.49Å; Q713-G798 PolarHBondContact NE2-O 2.87Å; M734-G798 WeakPolarHBondContact CE-O 3.37Å; E794-G798 PolarHBondContact O-N 2.97Å; M795-G798 PolarHBondContact O-N 2.82Å; I796-G798 PolarHBondContact O-N 2.82Å; G798-G800 VanDerWaalsContact C-N 3.28Å; G798-G800 PolarHBondContact O-N 2.86Å
799M94Very high88.7Confident0 Ų040.7 Ų40.70%023%0.227CC..THydrogen-bonded Turntrans-83.94.1177.3-59178.5-174.100113.9Y737 V738 C741 M795 I796 E797 Y806 W807 F810Y737-M799 HydrophobicContact CD1-CG 4.36Å; Y737-M799 HydrophobicContact CE1-CE 4.11Å; Y737-M799 HydrophobicContact CE1-CG 3.85Å; V738-M799 HydrophobicContact CG2-CG 4.23Å; C741-M799 HydrophobicContact CB-CE 3.53Å; C741-M799 WeakPolarHBondContact SG-CE 3.44Å; M795-M799 PolarHBondContact O-N 2.79Å; I796-M799 WeakPolarHBondContact O-CB 3.32Å; I796-M799 PolarHBondContact O-N 3.31Å; E797-M799 PolarHBondContact O-N 3.04Å; M799-Y806 WeakPolarHBondContact O-CB 3.42Å; M799-W807 HydrophobicContact SD-CE3 3.96Å; M799-W807 HydrophobicContact SD-CZ3 4.42Å; M799-F810 HydrophobicContact CE-CB 4.25Å; M799-F810 HydrophobicContact CE-CD2 3.64Å; M799-F810 HydrophobicContact CE-CE2 4.3Å; M799-F810 HydrophobicContact CE-CG 4.12Å; M799-F810 HydrophobicContact SD-CB 3.72Å; M799-F810 HydrophobicContact SD-CD2 4.13Å; M799-F810 HydrophobicContact SD-CG 3.98Å
800G89.7Confident89.4Confident30 Ų3040.7 Ų40.731%0.30923%0.226SC..THydrogen-bonded Turntrans87.116.8-175.100000114.1E797 G798E797-G800 PolarHBondContact O-N 3.26Å; G798-G800 VanDerWaalsContact C-N 3.28Å; G798-G800 PolarHBondContact O-N 2.86Å
801G87.4Confident90Very high18 Ų1842.1 Ų42.119%0.18623%0.231CC..  trans80.9-178.5176.700000114.3I796 S803 G804 W807I796-G801 PolarHBondContact O-N 3.06Å; G801-S803 PolarHBondContact O-N 3.34Å; G801-G804 PolarHBondContact O-N 2.86Å; G801-W807 WeakPolarHBondContact O-CB 3.28Å
802F83.9Confident90.5Very high98 Ų9845.4 Ų45.443%0.4325%0.249SC..THydrogen-bonded Turntrans-64.4-22.4-171.8-59.2-72.9000115.2I796 I874 M878I796-F802 HydrophobicContact CD1-CE1 3.72Å; I796-F802 HydrophobicContact CD1-CZ 3.99Å; I796-F802 HydrophobicContact CG2-CD1 3.91Å; I796-F802 HydrophobicContact CG2-CE1 3.75Å; I796-F802 HydrophobicContact CG2-CG 4.39Å; I796-F802 HydrophobicContact CG2-CZ 4.09Å; F802-I874 HydrophobicContact CD1-CD1 4.49Å; F802-I874 HydrophobicContact CD1-CG2 4.24Å; F802-I874 HydrophobicContact CE1-CB 4.3Å; F802-I874 HydrophobicContact CE1-CD1 4.03Å; F802-I874 HydrophobicContact CE1-CG1 4.07Å; F802-I874 HydrophobicContact CE1-CG2 3.26Å; F802-I874 HydrophobicContact CZ-CG2 3.53Å; F802-M878 HydrophobicContact CE2-SD 4.3Å
803S80.6Confident91Very high123 Ų12346 Ų4686%0.8625%0.252SS*.THydrogen-bonded Turntrans-96.8-0.4177.248.40000113G801G801-S803 PolarHBondContact O-N 3.34Å
804G83.6Confident91.6Very high10 Ų1042.3 Ų42.310%0.10324%0.236CC..SBendtrans-74147.5-178.500000112.8G801 Y806 W807G801-G804 PolarHBondContact O-N 2.86Å; G804-Y806 VanDerWaalsContact C-N 3.28Å; G804-Y806 PolarHBondContact O-N 2.75Å; G804-W807 WeakPolarHBondContact O-CB 3.43Å; G804-W807 PolarHBondContact O-N 2.91Å; G804-W807 VanDerWaalsContact O-N 3.12Å
805P92.1Very high91.9Very high89 Ų8940.3 Ų40.358%0.57823%0.226SC*.Hα-helixtrans-60-39.1177.123.8-32.8000112.1W807 Q808 D809P805-W807 PolarHBondContact O-N 2.86Å; P805-Q808 WeakPolarHBondContact O-CB 3.28Å; P805-Q808 PolarHBondContact O-N 3.5Å; P805-D809 PolarHBondContact O-N 2.9Å
806Y95.1Very high92Very high45 Ų4543.1 Ų43.118%0.17624%0.243CC..Hα-helixtrans-63.6-26.9177.6-66.9-65.2000113.8P726 F727 M734 V738 M799 G804 D809 F810P726-Y806 HydrophobicContact CB-CE2 3.6Å; P726-Y806 WeakPolarHBondContact CB-OH 3.19Å; P726-Y806 HydrophobicContact CG-CE2 4.28Å; P726-Y806 WeakPolarHBondContact CG-OH 3.43Å; F727-Y806 HydrophobicContact CD2-CE2 4.49Å; F727-Y806 AromaticContact CE2-CD2 3.68Å; F727-Y806 HydrophobicContact CE2-CD2 3.68Å; F727-Y806 AromaticContact CE2-CE2 3.73Å; F727-Y806 HydrophobicContact CE2-CE2 3.73Å; F727-Y806 HydrophobicContact CZ-CD2 4.22Å; F727-Y806 HydrophobicContact CZ-CE2 4.43Å; M734-Y806 HydrophobicContact CB-CE1 4.21Å; M734-Y806 HydrophobicContact CE-CD2 4.32Å; M734-Y806 HydrophobicContact CE-CG 4.49Å; V738-Y806 HydrophobicContact CG2-CD1 3.84Å; V738-Y806 HydrophobicContact CG2-CG 4.12Å; M799-Y806 WeakPolarHBondContact O-CB 3.42Å; G804-Y806 VanDerWaalsContact C-N 3.28Å; G804-Y806 PolarHBondContact O-N 2.75Å; Y806-D809 PolarHBondContact O-N 2.73Å; Y806-F810 WeakPolarHBondContact O-CB 3.15Å; Y806-F810 PolarHBondContact O-N 2.79Å
807W93.2Very high92.3Very high11 Ų1142.7 Ų42.74%0.04224%0.241CC..Hα-helixtrans-67.8-39.9172.9176.1-111.7000111.2L791 I796 M799 G801 G804 P805 F810 R811 I870 I874L791-W807 HydrophobicContact CD2-CH2 3.51Å; L791-W807 HydrophobicContact CD2-CZ3 3.59Å; I796-W807 HydrophobicContact CD1-CH2 4.44Å; I796-W807 HydrophobicContact CD1-CZ3 4.47Å; I796-W807 HydrophobicContact CG1-CE3 4.47Å; I796-W807 HydrophobicContact CG1-CH2 4.38Å; I796-W807 HydrophobicContact CG1-CZ3 3.92Å; I796-W807 HydrophobicContact CG2-CD2 4.43Å; I796-W807 HydrophobicContact CG2-CE3 4.03Å; I796-W807 HydrophobicContact CG2-CZ3 4.26Å; M799-W807 HydrophobicContact SD-CE3 3.96Å; M799-W807 HydrophobicContact SD-CZ3 4.42Å; G801-W807 WeakPolarHBondContact O-CB 3.28Å; G804-W807 WeakPolarHBondContact O-CB 3.43Å; G804-W807 PolarHBondContact O-N 2.91Å; G804-W807 VanDerWaalsContact O-N 3.12Å; P805-W807 PolarHBondContact O-N 2.86Å; W807-F810 HydrophobicContact CE3-CB 4.47Å; W807-F810 AromaticContact CE3-CD1 3.88Å; W807-F810 HydrophobicContact CE3-CD1 3.88Å; W807-F810 HydrophobicContact CE3-CG 4.34Å; W807-F810 AromaticContact CH2-CD1 3.81Å; W807-F810 HydrophobicContact CH2-CD1 3.81Å; W807-F810 AromaticContact CH2-CE1 3.73Å; W807-F810 HydrophobicContact CH2-CE1 3.73Å; W807-F810 AromaticContact CZ3-CD1 3.4Å; W807-F810 HydrophobicContact CZ3-CD1 3.4Å; W807-F810 VanDerWaalsContact CZ3-CD1 3.4Å; W807-F810 AromaticContact CZ3-CE1 3.64Å; W807-F810 HydrophobicContact CZ3-CE1 3.64Å; W807-F810 HydrophobicContact CZ3-CG 4.12Å; W807-F810 HydrophobicContact CZ3-CZ 4.48Å; W807-F810 WeakPolarHBondContact O-CB 3.21Å; W807-F810 PolarHBondContact O-N 2.99Å; W807-R811 HydrophobicContact CZ2-CG 4.21Å; W807-R811 WeakPolarHBondContact O-CG 3.34Å; W807-R811 PolarHBondContact O-N 3.35Å; W807-R811 VanDerWaalsContact O-N 3.08Å; W807-I870 HydrophobicContact CH2-CG2 4.1Å; W807-I870 HydrophobicContact CZ2-CG2 4.12Å; W807-I874 HydrophobicContact CH2-CD1 3.7Å; W807-I874 HydrophobicContact CZ2-CD1 3.37Å
808Q92.8Very high92.6Very high83 Ų8338.4 Ų38.439%0.38822%0.221SC..Hα-helixtrans-68.2-38.4175.6-166.860.830.400111.5P805 R811 N812P805-Q808 WeakPolarHBondContact O-CB 3.28Å; P805-Q808 PolarHBondContact O-N 3.5Å; Q808-R811 PolarHBondContact O-N 3.14Å; Q808-N812 VanDerWaalsContact O-CG 3.32Å; Q808-N812 PolarHBondContact O-N 3.18Å; Q808-N812 PolarHBondContact O-ND2 3.17Å
809D95.5Very high92.8Very high74 Ų7440 Ų4040%0.39623%0.228SC..Hα-helixtrans-61.7-44.5173.6-67-25.6000111.6V738 P805 Y806 R811 N812 L813V738-D809 HydrophobicContact CG1-CB 4.1Å; P805-D809 PolarHBondContact O-N 2.9Å; Y806-D809 PolarHBondContact O-N 2.73Å; D809-R811 VanDerWaalsContact C-N 3.33Å; D809-R811 PolarHBondContact O-N 2.98Å; D809-N812 PolarHBondContact O-N 3.1Å; D809-L813 WeakPolarHBondContact O-CB 3.14Å; D809-L813 VanDerWaalsContact O-CG 3.26Å; D809-L813 WeakPolarHBondContact O-CG 3.45Å; D809-L813 PolarHBondContact O-N 2.9Å
810F96.2Very high92.8Very high0 Ų041.5 Ų41.50%024%0.235CC..Hα-helixtrans-54.2-48.9173.4166.9-90.8000111.5V738 C741 A742 L791 M799 Y806 W807 L813 A814 I870V738-F810 HydrophobicContact CG1-CB 4.02Å; C741-F810 HydrophobicContact CB-CD2 4.39Å; C741-F810 HydrophobicContact CB-CE2 4.4Å; A742-F810 HydrophobicContact CB-CD2 3.69Å; A742-F810 HydrophobicContact CB-CE2 3.99Å; A742-F810 HydrophobicContact CB-CG 4.47Å; L791-F810 HydrophobicContact CD1-CE1 4.42Å; L791-F810 HydrophobicContact CD1-CE2 3.84Å; L791-F810 HydrophobicContact CD1-CZ 3.59Å; L791-F810 HydrophobicContact CD2-CE1 4.22Å; L791-F810 HydrophobicContact CD2-CZ 4.16Å; M799-F810 HydrophobicContact CE-CB 4.25Å; M799-F810 HydrophobicContact CE-CD2 3.64Å; M799-F810 HydrophobicContact CE-CE2 4.3Å; M799-F810 HydrophobicContact CE-CG 4.12Å; M799-F810 HydrophobicContact SD-CB 3.72Å; M799-F810 HydrophobicContact SD-CD2 4.13Å; M799-F810 HydrophobicContact SD-CG 3.98Å; Y806-F810 WeakPolarHBondContact O-CB 3.15Å; Y806-F810 PolarHBondContact O-N 2.79Å; W807-F810 HydrophobicContact CE3-CB 4.47Å; W807-F810 AromaticContact CE3-CD1 3.88Å; W807-F810 HydrophobicContact CE3-CD1 3.88Å; W807-F810 HydrophobicContact CE3-CG 4.34Å; W807-F810 AromaticContact CH2-CD1 3.81Å; W807-F810 HydrophobicContact CH2-CD1 3.81Å; W807-F810 AromaticContact CH2-CE1 3.73Å; W807-F810 HydrophobicContact CH2-CE1 3.73Å; W807-F810 AromaticContact CZ3-CD1 3.4Å; W807-F810 HydrophobicContact CZ3-CD1 3.4Å; W807-F810 VanDerWaalsContact CZ3-CD1 3.4Å; W807-F810 AromaticContact CZ3-CE1 3.64Å; W807-F810 HydrophobicContact CZ3-CE1 3.64Å; W807-F810 HydrophobicContact CZ3-CG 4.12Å; W807-F810 HydrophobicContact CZ3-CZ 4.48Å; W807-F810 WeakPolarHBondContact O-CB 3.21Å; W807-F810 PolarHBondContact O-N 2.99Å; F810-L813 PolarHBondContact O-N 3.49Å; F810-A814 VanDerWaalsContact O-CB 3.32Å; F810-A814 WeakPolarHBondContact O-CB 3.32Å; F810-A814 PolarHBondContact O-N 3.4Å; F810-I870 HydrophobicContact CE1-CD1 4.37Å
811R94.8Very high93.1Very high49 Ų4940.1 Ų40.119%0.18522%0.221CC..Hα-helixtrans-59.9-50-179.6-72.9-179.971.2-173.912.1111.3W807 Q808 D809 L813 A814 Y815W807-R811 HydrophobicContact CZ2-CG 4.21Å; W807-R811 WeakPolarHBondContact O-CG 3.34Å; W807-R811 PolarHBondContact O-N 3.35Å; W807-R811 VanDerWaalsContact O-N 3.08Å; Q808-R811 PolarHBondContact O-N 3.14Å; D809-R811 VanDerWaalsContact C-N 3.33Å; D809-R811 PolarHBondContact O-N 2.98Å; R811-L813 PolarHBondContact O-N 2.79Å; R811-A814 PolarHBondContact O-N 2.89Å; R811-Y815 HydrophobicContact CB-CE2 3.76Å; R811-Y815 PolarHBondContact NE-OH 3.47Å; R811-Y815 PolarHBondContact NH2-OH 3.03Å; R811-Y815 WeakPolarHBondContact O-CD2 3.37Å; R811-Y815 WeakPolarHBondContact O-CE2 3.3Å; R811-Y815 PolarHBondContact O-N 2.92Å
812N95.4Very high93.4Very high77 Ų7740.4 Ų40.441%0.41222%0.216SC..Hα-helixtrans-59.1-48.5179.3-68.7-20000111.1Q808 D809 A814 Y815 T816Q808-N812 VanDerWaalsContact O-CG 3.32Å; Q808-N812 PolarHBondContact O-N 3.18Å; Q808-N812 PolarHBondContact O-ND2 3.17Å; D809-N812 PolarHBondContact O-N 3.1Å; N812-A814 VanDerWaalsContact C-N 3.32Å; N812-A814 PolarHBondContact O-N 3.26Å; N812-Y815 PolarHBondContact O-N 3.29Å; N812-T816 PolarHBondContact O-N 3.36Å; N812-T816 PolarHBondContact O-OG1 2.83Å
813L97.2Very high93.7Very high24 Ų2442.9 Ų42.913%0.12622%0.223CC..Hα-helixtrans-60.1-41.2177.3-72.1167.3000112L675 L677 V738 R739 A742 D809 F810 R811 A817L675-L813 HydrophobicContact CD1-CD2 3.9Å; L677-L813 HydrophobicContact CD2-CB 4.34Å; L677-L813 HydrophobicContact CD2-CD2 4.08Å; V738-L813 HydrophobicContact CG1-CD1 4.08Å; R739-L813 HydrophobicContact CG-CD1 3.79Å; A742-L813 HydrophobicContact CB-CB 3.78Å; D809-L813 WeakPolarHBondContact O-CB 3.14Å; D809-L813 VanDerWaalsContact O-CG 3.26Å; D809-L813 WeakPolarHBondContact O-CG 3.45Å; D809-L813 PolarHBondContact O-N 2.9Å; F810-L813 PolarHBondContact O-N 3.49Å; R811-L813 PolarHBondContact O-N 2.79Å; L813-A817 WeakPolarHBondContact O-CB 3.39Å; L813-A817 PolarHBondContact O-N 3.22Å
814A96.1Very high94.2Very high1 Ų139.2 Ų39.21%0.00819%0.192CC..Hα-helixtrans-63.9-42.2178.100000112A742 V746 F810 R811 N812 F818 I870A742-A814 HydrophobicContact CB-CB 4.49Å; V746-A814 HydrophobicContact CG2-CB 3.88Å; V746-A814 WeakPolarHBondContact CG2-O 3.38Å; F810-A814 VanDerWaalsContact O-CB 3.32Å; F810-A814 WeakPolarHBondContact O-CB 3.32Å; F810-A814 PolarHBondContact O-N 3.4Å; R811-A814 PolarHBondContact O-N 2.89Å; N812-A814 VanDerWaalsContact C-N 3.32Å; N812-A814 PolarHBondContact O-N 3.26Å; A814-F818 VanDerWaalsContact O-CB 3.27Å; A814-F818 WeakPolarHBondContact O-CB 3.24Å; A814-F818 PolarHBondContact O-N 3.05Å; A814-I870 HydrophobicContact CB-CD1 4.26Å
815Y95.7Very high94.4Very high14 Ų1438.8 Ų38.86%0.05519%0.188CC..Hα-helixtrans-66.9-46.9178.1-54.3-32.5000111.8R811 N812 F818 L819 V863 M866 Q867 I870R811-Y815 HydrophobicContact CB-CE2 3.76Å; R811-Y815 PolarHBondContact NE-OH 3.47Å; R811-Y815 PolarHBondContact NH2-OH 3.03Å; R811-Y815 WeakPolarHBondContact O-CD2 3.37Å; R811-Y815 WeakPolarHBondContact O-CE2 3.3Å; R811-Y815 PolarHBondContact O-N 2.92Å; N812-Y815 PolarHBondContact O-N 3.29Å; Y815-F818 PolarHBondContact O-N 3.43Å; Y815-L819 PolarHBondContact O-N 3.44Å; Y815-V863 HydrophobicContact CD1-CG1 4.49Å; Y815-V863 HydrophobicContact CD2-CG1 4.37Å; Y815-V863 HydrophobicContact CG-CG1 4.1Å; Y815-M866 HydrophobicContact CD1-CB 4.33Å; Y815-M866 HydrophobicContact CD1-CG 4.06Å; Y815-M866 HydrophobicContact CE1-CG 4.29Å; Y815-Q867 HydrophobicContact CD1-CG 4.34Å; Y815-Q867 HydrophobicContact CD2-CG 4.47Å; Y815-Q867 HydrophobicContact CE1-CB 4.42Å; Y815-Q867 HydrophobicContact CE1-CG 3.59Å; Y815-Q867 HydrophobicContact CE2-CG 3.73Å; Y815-Q867 WeakPolarHBondContact OH-CG 3.23Å; Y815-I870 HydrophobicContact CE1-CD1 3.76Å
816T96Very high94.1Very high58 Ų5836.4 Ų36.436%0.35617%0.17SC..Hα-helixtrans-62.8-45.9178.7-52.50000110.7L675 N812 F818 L819 H820L675-T816 HydrophobicContact CD2-CG2 4.05Å; N812-T816 PolarHBondContact O-N 3.36Å; N812-T816 PolarHBondContact O-OG1 2.83Å; T816-F818 PolarHBondContact O-N 3.34Å; T816-L819 PolarHBondContact O-N 2.87Å; T816-H820 WeakPolarHBondContact CG2-NE2 3.47Å; T816-H820 PolarHBondContact O-CD2 3.38Å; T816-H820 PolarHBondContact O-N 2.99Å
817A97.1Very high93.9Very high0 Ų034.5 Ų34.50%016%0.163CC..Hα-helixtrans-59.9-44.1176.400000112.3L670 L675 L677 V746 L813 L819 H820 L821L670-A817 HydrophobicContact CD2-CB 4.15Å; L675-A817 HydrophobicContact CD2-CB 4.11Å; L677-A817 HydrophobicContact CD1-CB 3.56Å; V746-A817 HydrophobicContact CG2-CB 4.32Å; L813-A817 WeakPolarHBondContact O-CB 3.39Å; L813-A817 PolarHBondContact O-N 3.22Å; A817-L819 PolarHBondContact O-N 2.96Å; A817-H820 PolarHBondContact O-N 2.78Å; A817-L821 WeakPolarHBondContact O-CB 3.12Å; A817-L821 WeakPolarHBondContact O-CG 3.14Å; A817-L821 PolarHBondContact O-N 3.21Å
818F96.3Very high93.7Very high0 Ų034 Ų340%016%0.161CC..Hα-helixtrans-60.2-45.9177.3175.5-105.3000111.8V746 Y749 L750 A814 Y815 T816 L821 R822 L854 A862 M866V746-F818 HydrophobicContact CG1-CB 3.98Å; V746-F818 HydrophobicContact CG1-CD2 4.35Å; Y749-F818 HydrophobicContact CD1-CE2 4.44Å; Y749-F818 AromaticContact CE1-CE2 4Å; Y749-F818 HydrophobicContact CE1-CE2 4Å; L750-F818 HydrophobicContact CD2-CD2 4.01Å; L750-F818 HydrophobicContact CD2-CE2 3.74Å; L750-F818 HydrophobicContact CG-CD2 4.47Å; A814-F818 VanDerWaalsContact O-CB 3.27Å; A814-F818 WeakPolarHBondContact O-CB 3.24Å; A814-F818 PolarHBondContact O-N 3.05Å; Y815-F818 PolarHBondContact O-N 3.43Å; T816-F818 PolarHBondContact O-N 3.34Å; F818-L821 PolarHBondContact O-N 2.95Å; F818-R822 WeakPolarHBondContact O-CB 3.38Å; F818-R822 PolarHBondContact O-N 3.2Å; F818-L854 HydrophobicContact CE1-CD1 4.3Å; F818-L854 HydrophobicContact CZ-CB 4.49Å; F818-L854 HydrophobicContact CZ-CD1 3.82Å; F818-L854 HydrophobicContact CZ-CG 4.31Å; F818-A862 HydrophobicContact CE1-CB 3.97Å; F818-M866 HydrophobicContact CD1-CB 4.28Å; F818-M866 HydrophobicContact CD1-CG 4.41Å; F818-M866 HydrophobicContact CD2-SD 4.4Å; F818-M866 HydrophobicContact CG-CG 4.34Å
819L95.3Very high93.4Very high36 Ų3630.2 Ų30.219%0.18814%0.143CC..Hα-helixtrans-62.5-44.3177.8-75.8178.9000112.9Y815 T816 A817 R822 R823 D859 V863Y815-L819 PolarHBondContact O-N 3.44Å; T816-L819 PolarHBondContact O-N 2.87Å; A817-L819 PolarHBondContact O-N 2.96Å; L819-R822 PolarHBondContact O-N 2.7Å; L819-R823 WeakPolarHBondContact O-CG 3.4Å; L819-R823 PolarHBondContact O-N 2.76Å; L819-D859 HydrophobicContact CD2-CB 3.91Å; L819-V863 HydrophobicContact CD1-CG2 3.6Å; L819-V863 HydrophobicContact CD2-CG2 3.93Å; L819-V863 HydrophobicContact CG-CG2 3.77Å
820H95.5Very high93Very high31 Ų3126.8 Ų26.814%0.14413%0.125CC..Hα-helixtrans-63.2-48.2177.5-72.7-69.1000111.3L670 E673 T816 A817 R822 R823 H824L670-H820 HydrophobicContact CD2-CB 4.01Å; E673-H820 WeakPolarHBondContact CG-ND1 3.05Å; E673-H820 IonicContact OE2-CE1 3.39Å; E673-H820 PolarHBondContact OE2-CE1 3.22Å; E673-H820 IonicContact OE2-ND1 3.47Å; E673-H820 PolarHBondContact OE2-ND1 2.86Å; T816-H820 WeakPolarHBondContact CG2-NE2 3.47Å; T816-H820 PolarHBondContact O-CD2 3.38Å; T816-H820 PolarHBondContact O-N 2.99Å; A817-H820 PolarHBondContact O-N 2.78Å; H820-R822 VanDerWaalsContact C-N 3.27Å; H820-R822 PolarHBondContact O-N 2.85Å; H820-R823 WeakPolarHBondContact O-CB 3.21Å; H820-R823 PolarHBondContact O-N 3.33Å; H820-H824 PolarHBondContact O-CD2 2.56Å
821L95.3Very high92.7Very high1 Ų126.8 Ų26.81%0.00513%0.125CC..Hα-helixtrans-63.4-34.8177.9-67.1179.4000112.2M666 L670 V746 I747 L750 A817 F818 R823 H824 A825 F828M666-L821 HydrophobicContact CB-CD1 4.49Å; M666-L821 HydrophobicContact CB-CD2 3.84Å; M666-L821 HydrophobicContact CG-CD1 4.35Å; M666-L821 HydrophobicContact CG-CD2 3.83Å; M666-L821 HydrophobicContact SD-CD1 4.23Å; L670-L821 HydrophobicContact CD1-CD1 4.38Å; L670-L821 HydrophobicContact CD1-CD2 4.2Å; L670-L821 HydrophobicContact CD1-CG 4.41Å; L670-L821 HydrophobicContact CD2-CD2 4.24Å; L670-L821 HydrophobicContact CD2-CG 4.12Å; L670-L821 HydrophobicContact CG-CD2 3.94Å; L670-L821 HydrophobicContact CG-CG 4.29Å; V746-L821 HydrophobicContact CG1-CD1 4.12Å; I747-L821 HydrophobicContact CG1-CD1 4.39Å; L750-L821 HydrophobicContact CD1-CB 3.76Å; L750-L821 HydrophobicContact CD1-CD1 3.6Å; L750-L821 HydrophobicContact CD1-CG 4.34Å; A817-L821 WeakPolarHBondContact O-CB 3.12Å; A817-L821 WeakPolarHBondContact O-CG 3.14Å; A817-L821 PolarHBondContact O-N 3.21Å; F818-L821 PolarHBondContact O-N 2.95Å; L821-R823 VanDerWaalsContact C-N 3.32Å; L821-R823 PolarHBondContact O-N 3.22Å; L821-H824 CarbonylContact O-C 3.49Å; L821-H824 PolarHBondContact O-N 3.37Å; L821-H824 VanDerWaalsContact O-N 3.11Å; L821-A825 PolarHBondContact O-N 2.95Å; L821-F828 HydrophobicContact CD2-CE2 4.33Å; L821-F828 HydrophobicContact CD2-CZ 4.07Å
822R92.9Very high92.3Very high24 Ų2425.1 Ų25.19%0.09112%0.119CC..Hα-helixtrans-61.5-36.5176.2180174.6176.8-84.5-4.4113F818 L819 H820 H824 A825 F853 L854 L855 L857 D859F818-R822 WeakPolarHBondContact O-CB 3.38Å; F818-R822 PolarHBondContact O-N 3.2Å; L819-R822 PolarHBondContact O-N 2.7Å; H820-R822 VanDerWaalsContact C-N 3.27Å; H820-R822 PolarHBondContact O-N 2.85Å; R822-H824 PolarHBondContact O-N 3.15Å; R822-A825 VanDerWaalsContact O-CB 3.28Å; R822-A825 WeakPolarHBondContact O-CB 3.48Å; R822-A825 PolarHBondContact O-N 3.3Å; R822-A825 VanDerWaalsContact O-N 3.13Å; R822-F853 WeakPolarHBondContact CD-O 2.99Å; R822-F853 WeakPolarHBondContact CG-O 3.27Å; R822-F853 PolarHBondContact NE-O 3.43Å; R822-L854 PolarHBondContact NE-O 2.86Å; R822-L854 PolarHBondContact NH2-O 2.91Å; R822-L855 HydrophobicContact CG-CD2 4.23Å; R822-L857 PolarHBondContact NH2-O 2.99Å; R822-D859 IonicContact CZ-OD1 3.22Å; R822-D859 IonicContact NH1-OD1 3.4Å; R822-D859 PolarHBondContact NH1-OD1 3.28Å
823R90.2Very high91.7Very high150 Ų15022 Ų2257%0.56611%0.105SC*.Hα-helixtrans-62.6-26.1175.2-69172.8-178.7174.32113L819 H820 L821 D859L819-R823 WeakPolarHBondContact O-CG 3.4Å; L819-R823 PolarHBondContact O-N 2.76Å; H820-R823 WeakPolarHBondContact O-CB 3.21Å; H820-R823 PolarHBondContact O-N 3.33Å; L821-R823 VanDerWaalsContact C-N 3.32Å; L821-R823 PolarHBondContact O-N 3.22Å; R823-D859 IonicContact NH2-OD2 3.02Å
824H91.4Very high91.1Very high46 Ų4621 Ų2121%0.21310%0.099CC..THydrogen-bonded Turntrans-10015.5177.3-61.5-78.6000113.7L669 H820 L821 R822 N826 L827 F828L669-H824 HydrophobicContact CD1-CB 4Å; H820-H824 PolarHBondContact O-CD2 2.56Å; L821-H824 CarbonylContact O-C 3.49Å; L821-H824 PolarHBondContact O-N 3.37Å; L821-H824 VanDerWaalsContact O-N 3.11Å; R822-H824 PolarHBondContact O-N 3.15Å; H824-N826 VanDerWaalsContact C-N 3.26Å; H824-N826 PolarHBondContact O-N 2.71Å; H824-L827 WeakPolarHBondContact O-CB 3.49Å; H824-L827 PolarHBondContact O-N 2.87Å; H824-F828 HydrophobicContact CB-CE2 4Å; H824-F828 VanDerWaalsContact O-CD2 3.29Å; H824-F828 WeakPolarHBondContact O-CD2 3.26Å; H824-F828 PolarHBondContact O-N 3.09Å
825A88.9Confident90.7Very high2 Ų220.9 Ų20.92%0.01710%0.098CC..Hα-helixtrans-53.2-40.7-177.500000113.7L821 R822 L827 F828 L829 F853 L855L821-A825 PolarHBondContact O-N 2.95Å; R822-A825 VanDerWaalsContact O-CB 3.28Å; R822-A825 WeakPolarHBondContact O-CB 3.48Å; R822-A825 PolarHBondContact O-N 3.3Å; R822-A825 VanDerWaalsContact O-N 3.13Å; A825-L827 VanDerWaalsContact C-N 3.28Å; A825-L827 PolarHBondContact O-N 3.17Å; A825-F828 PolarHBondContact O-N 2.84Å; A825-L829 WeakPolarHBondContact O-CB 3.42Å; A825-L829 VanDerWaalsContact O-CG 3.27Å; A825-L829 WeakPolarHBondContact O-CG 3.49Å; A825-L829 PolarHBondContact O-N 2.7Å; A825-F853 HydrophobicContact CB-CB 3.96Å; A825-F853 HydrophobicContact CB-CD1 3.61Å; A825-F853 HydrophobicContact CB-CD2 4.28Å; A825-F853 HydrophobicContact CB-CE1 4.09Å; A825-F853 HydrophobicContact CB-CG 3.69Å; A825-L855 HydrophobicContact CB-CD1 4.05Å; A825-L855 HydrophobicContact CB-CD2 3.62Å; A825-L855 HydrophobicContact CB-CG 4.31Å
826N85.7Confident89.9Confident39 Ų3922.5 Ų22.521%0.20911%0.11CC..Hα-helixtrans-57.6-39.8179.3-77.1-1.2000112.6H824 L829 N830H824-N826 VanDerWaalsContact C-N 3.26Å; H824-N826 PolarHBondContact O-N 2.71Å; N826-L829 PolarHBondContact O-N 2.68Å; N826-N830 WeakPolarHBondContact O-CB 3.4Å; N826-N830 PolarHBondContact O-N 3.24Å; N826-N830 PolarHBondContact O-ND2 2.89Å
827L90.8Very high88.7Confident4 Ų423.8 Ų23.82%0.02111%0.114CC..Hα-helixtrans-61.7-49.9176.7172.557.5000110.8D375 L378 Y409 L665 L669 H824 A825 L829 N830 L831D375-L827 HydrophobicContact CB-CB 4.26Å; D375-L827 HydrophobicContact CB-CD1 3.89Å; D375-L827 HydrophobicContact CB-CD2 4.46Å; D375-L827 HydrophobicContact CB-CG 4.42Å; L378-L827 HydrophobicContact CD1-CD1 3.7Å; Y409-L827 HydrophobicContact CE1-CD1 3.88Å; Y409-L827 HydrophobicContact CE1-CD2 4.39Å; Y409-L827 WeakPolarHBondContact OH-CD2 3.5Å; L665-L827 HydrophobicContact CD1-CD2 4.24Å; L665-L827 HydrophobicContact CD2-CD2 4.03Å; L665-L827 HydrophobicContact CD2-CG 4.26Å; L669-L827 HydrophobicContact CD1-CD2 4.22Å; H824-L827 WeakPolarHBondContact O-CB 3.49Å; H824-L827 PolarHBondContact O-N 2.87Å; A825-L827 VanDerWaalsContact C-N 3.28Å; A825-L827 PolarHBondContact O-N 3.17Å; L827-L829 VanDerWaalsContact C-N 3.32Å; L827-L829 PolarHBondContact O-N 3.31Å; L827-N830 PolarHBondContact O-N 3.48Å; L827-L831 HydrophobicContact CD1-CD1 3.9Å; L827-L831 HydrophobicContact CD1-CG 4.04Å; L827-L831 HydrophobicContact CG-CD1 4.1Å; L827-L831 VanDerWaalsContact O-CG 3.28Å; L827-L831 WeakPolarHBondContact O-CG 3.49Å; L827-L831 PolarHBondContact O-N 3.22Å
828F89.7Confident87.9Confident0 Ų024.6 Ų24.60%012%0.12CC..Hα-helixtrans-61.5-42.6178.2-58.2-61.6000111.6M662 L665 M666 L669 L821 H824 A825 L831 F832 F853M662-F828 HydrophobicContact SD-CD1 4.27Å; L665-F828 HydrophobicContact CD2-CD1 4.18Å; L665-F828 HydrophobicContact CD2-CE1 3.85Å; L665-F828 HydrophobicContact CG-CE1 4.07Å; M666-F828 HydrophobicContact CE-CD1 3.99Å; M666-F828 HydrophobicContact CE-CD2 4.43Å; M666-F828 HydrophobicContact CE-CE1 3.78Å; M666-F828 HydrophobicContact CE-CE2 4.24Å; M666-F828 HydrophobicContact CE-CG 4.32Å; M666-F828 HydrophobicContact CE-CZ 3.91Å; M666-F828 HydrophobicContact CG-CE1 3.53Å; M666-F828 HydrophobicContact CG-CZ 3.49Å; M666-F828 VanDerWaalsContact CG-CZ 3.49Å; L669-F828 HydrophobicContact CD1-CE1 4.16Å; L669-F828 HydrophobicContact CD1-CE2 4.31Å; L669-F828 HydrophobicContact CD1-CZ 3.55Å; L821-F828 HydrophobicContact CD2-CE2 4.33Å; L821-F828 HydrophobicContact CD2-CZ 4.07Å; H824-F828 HydrophobicContact CB-CE2 4Å; H824-F828 VanDerWaalsContact O-CD2 3.29Å; H824-F828 WeakPolarHBondContact O-CD2 3.26Å; H824-F828 PolarHBondContact O-N 3.09Å; A825-F828 PolarHBondContact O-N 2.84Å; F828-L831 PolarHBondContact O-N 2.88Å; F828-F832 HydrophobicContact CB-CE2 4.35Å; F828-F832 WeakPolarHBondContact O-CD2 3.37Å; F828-F832 PolarHBondContact O-N 2.63Å; F828-F853 HydrophobicContact CB-CE2 4.46Å; F828-F853 HydrophobicContact CB-CZ 3.96Å; F828-F853 AromaticContact CD2-CE1 3.78Å; F828-F853 HydrophobicContact CD2-CE1 3.78Å; F828-F853 AromaticContact CD2-CZ 3.65Å; F828-F853 HydrophobicContact CD2-CZ 3.65Å; F828-F853 HydrophobicContact CE2-CE1 4.32Å; F828-F853 HydrophobicContact CG-CZ 4.08Å
829L86.1Confident86.9Confident4 Ų426.8 Ų26.82%0.02113%0.133CC..Hα-helixtrans-63.4-41.2177.7-68.1174.1000112.1P318 A825 N826 L827 F832 A833 A850 L855P318-L829 HydrophobicContact CG-CB 4.23Å; A825-L829 WeakPolarHBondContact O-CB 3.42Å; A825-L829 VanDerWaalsContact O-CG 3.27Å; A825-L829 WeakPolarHBondContact O-CG 3.49Å; A825-L829 PolarHBondContact O-N 2.7Å; N826-L829 PolarHBondContact O-N 2.68Å; L827-L829 VanDerWaalsContact C-N 3.32Å; L827-L829 PolarHBondContact O-N 3.31Å; L829-F832 PolarHBondContact O-N 3.49Å; L829-A833 VanDerWaalsContact O-CB 3.29Å; L829-A833 WeakPolarHBondContact O-CB 3.3Å; L829-A833 PolarHBondContact O-N 3.39Å; L829-A850 HydrophobicContact CD1-CB 4.15Å; L829-A850 HydrophobicContact CD2-CB 3.95Å; L829-L855 HydrophobicContact CD1-CD1 4.05Å
830N87Confident86.1Confident2 Ų225.4 Ų25.41%0.01113%0.126CC..Hα-helixtrans-62.8-45.2174.2-75.7-18.7000111.5P318 D375 L378 N826 L827 F832 A833 L834P318-N830 WeakPolarHBondContact CB-OD1 3.48Å; P318-N830 WeakPolarHBondContact CG-OD1 3.28Å; D375-N830 PolarHBondContact O-ND2 2.95Å; L378-N830 HydrophobicContact CB-CB 4.18Å; N826-N830 WeakPolarHBondContact O-CB 3.4Å; N826-N830 PolarHBondContact O-N 3.24Å; N826-N830 PolarHBondContact O-ND2 2.89Å; L827-N830 PolarHBondContact O-N 3.48Å; N830-F832 PolarHBondContact O-N 2.85Å; N830-A833 WeakPolarHBondContact O-CB 3.37Å; N830-A833 PolarHBondContact O-N 3.22Å; N830-L834 WeakPolarHBondContact O-CG 3.42Å; N830-L834 PolarHBondContact O-N 3.1Å; N830-L834 VanDerWaalsContact O-N 3.1Å
831L89.9Confident84.8Confident1 Ų126.7 Ų26.71%0.00514%0.137CC..Hα-helixtrans-64.2-41178.4-66.6169.7000111.6L378 Y409 Q412 M662 L665 L827 F828 L834 M835L378-L831 HydrophobicContact CD1-CD2 3.75Å; L378-L831 HydrophobicContact CD1-CG 4.32Å; Y409-L831 HydrophobicContact CD1-CD1 4.16Å; Y409-L831 HydrophobicContact CD1-CD2 3.75Å; Y409-L831 HydrophobicContact CE1-CD1 4.23Å; Y409-L831 HydrophobicContact CE1-CD2 4.44Å; Y409-L831 HydrophobicContact CG-CD2 4.17Å; Q412-L831 HydrophobicContact CB-CD2 3.97Å; Q412-L831 HydrophobicContact CG-CB 3.99Å; Q412-L831 HydrophobicContact CG-CD2 3.63Å; Q412-L831 HydrophobicContact CG-CG 4.43Å; Q412-L831 WeakPolarHBondContact CG-O 3.46Å; M662-L831 HydrophobicContact CE-CB 3.75Å; M662-L831 HydrophobicContact CE-CD1 4.25Å; M662-L831 HydrophobicContact SD-CD1 4.23Å; L665-L831 HydrophobicContact CD2-CD1 3.36Å; L827-L831 HydrophobicContact CD1-CD1 3.9Å; L827-L831 HydrophobicContact CD1-CG 4.04Å; L827-L831 HydrophobicContact CG-CD1 4.1Å; L827-L831 VanDerWaalsContact O-CG 3.28Å; L827-L831 WeakPolarHBondContact O-CG 3.49Å; L827-L831 PolarHBondContact O-N 3.22Å; F828-L831 PolarHBondContact O-N 2.88Å; L831-L834 PolarHBondContact O-N 2.83Å; L831-M835 WeakPolarHBondContact O-CG 3.19Å; L831-M835 PolarHBondContact O-N 2.9Å
832F85.9Confident83.4Confident14 Ų1429.3 Ų29.36%0.06115%0.151CC..Hα-helixtrans-67.2-37.8173.8-72.9-57.2000112.5L658 M662 L751 L778 F828 L829 N830 L834 M835 V836 L845L658-F832 HydrophobicContact CD2-CE1 4.43Å; M662-F832 HydrophobicContact CE-CD1 4.31Å; M662-F832 HydrophobicContact CE-CE1 3.92Å; M662-F832 HydrophobicContact CE-CZ 4.01Å; M662-F832 HydrophobicContact CG-CE1 4.36Å; M662-F832 HydrophobicContact CG-CZ 3.96Å; M662-F832 HydrophobicContact SD-CZ 4.11Å; L751-F832 HydrophobicContact CD2-CE2 3.96Å; L751-F832 HydrophobicContact CD2-CZ 3.63Å; L778-F832 HydrophobicContact CD2-CE1 4.12Å; L778-F832 HydrophobicContact CD2-CZ 4.31Å; F828-F832 HydrophobicContact CB-CE2 4.35Å; F828-F832 WeakPolarHBondContact O-CD2 3.37Å; F828-F832 PolarHBondContact O-N 2.63Å; L829-F832 PolarHBondContact O-N 3.49Å; N830-F832 PolarHBondContact O-N 2.85Å; F832-L834 VanDerWaalsContact C-N 3.28Å; F832-L834 PolarHBondContact O-N 2.84Å; F832-M835 PolarHBondContact O-N 2.8Å; F832-V836 VanDerWaalsContact O-CG2 3.31Å; F832-V836 WeakPolarHBondContact O-CG2 3.48Å; F832-V836 PolarHBondContact O-N 3.36Å; F832-L845 HydrophobicContact CB-CD1 3.56Å
833A81.7Confident82.2Confident12 Ų1228.4 Ų28.410%0.09915%0.148CC..Hα-helixtrans-57-41.9176.500000112N319 L829 N830 M835 V836N319-A833 VanDerWaalsContact OD1-CB 3.31Å; N319-A833 WeakPolarHBondContact OD1-CB 3.41Å; L829-A833 VanDerWaalsContact O-CB 3.29Å; L829-A833 WeakPolarHBondContact O-CB 3.3Å; L829-A833 PolarHBondContact O-N 3.39Å; N830-A833 WeakPolarHBondContact O-CB 3.37Å; N830-A833 PolarHBondContact O-N 3.22Å; A833-M835 PolarHBondContact O-N 2.85Å; A833-V836 WeakPolarHBondContact O-CG2 3.14Å; A833-V836 PolarHBondContact O-N 3.48Å
834L86.6Confident80.5Confident1 Ų124.5 Ų24.51%0.00515%0.148CC..Hα-helixtrans-67.5-25.2177.4-67.4174.3000112.9L378 L381 Q412 A416 N830 L831 F832L378-L834 HydrophobicContact CB-CD1 4.3Å; L378-L834 HydrophobicContact CD2-CD1 4.47Å; L381-L834 HydrophobicContact CB-CD2 4.33Å; Q412-L834 HydrophobicContact CB-CB 3.98Å; Q412-L834 HydrophobicContact CB-CD1 3.88Å; Q412-L834 HydrophobicContact CG-CB 4.37Å; A416-L834 HydrophobicContact CB-CD2 4.19Å; N830-L834 WeakPolarHBondContact O-CG 3.42Å; N830-L834 PolarHBondContact O-N 3.1Å; N830-L834 VanDerWaalsContact O-N 3.1Å; L831-L834 PolarHBondContact O-N 2.83Å; F832-L834 VanDerWaalsContact C-N 3.28Å; F832-L834 PolarHBondContact O-N 2.84Å
835M86Confident78.8Confident0 Ų024.7 Ų24.70%015%0.15CC..Hα-helixtrans-87.9-12.2-180-61.9-59.1-61.600114.1L411 Q412 Q415 L658 L831 F832 A833 N837 S838 I840 I843L411-M835 HydrophobicContact CD2-CE 3.99Å; L411-M835 HydrophobicContact CD2-SD 4.48Å; L411-M835 HydrophobicContact CG-CE 4.06Å; L411-M835 HydrophobicContact CG-SD 4.2Å; Q412-M835 HydrophobicContact CG-CG 3.9Å; Q412-M835 HydrophobicContact CG-SD 3.87Å; Q415-M835 HydrophobicContact CB-SD 4.26Å; Q415-M835 HydrophobicContact CG-CE 4.02Å; Q415-M835 HydrophobicContact CG-SD 3.6Å; L658-M835 HydrophobicContact CD1-CE 4.41Å; L658-M835 HydrophobicContact CD1-CG 4.13Å; L658-M835 HydrophobicContact CD2-CE 4.46Å; L658-M835 HydrophobicContact CD2-CG 4.44Å; L831-M835 WeakPolarHBondContact O-CG 3.19Å; L831-M835 PolarHBondContact O-N 2.9Å; F832-M835 PolarHBondContact O-N 2.8Å; A833-M835 PolarHBondContact O-N 2.85Å; M835-N837 VanDerWaalsContact C-N 3.29Å; M835-N837 PolarHBondContact O-N 2.93Å; M835-S838 WeakPolarHBondContact O-CB 3.24Å; M835-S838 PolarHBondContact O-N 3.26Å; M835-S838 PolarHBondContact O-OG 3.38Å; M835-I840 HydrophobicContact CE-CD1 3.39Å; M835-I840 HydrophobicContact CE-CG1 4.47Å; M835-I843 HydrophobicContact CB-CG2 3.72Å; M835-I843 VanDerWaalsContact O-CG2 3.3Å; M835-I843 WeakPolarHBondContact O-CG2 3.25Å
836V79.3Confident77.3Confident48 Ų4830 Ų3029%0.29117%0.174SC..THydrogen-bonded Turntrans-57.1-43-174.9-179.20000112.7F832 A833 S838 L845F832-V836 VanDerWaalsContact O-CG2 3.31Å; F832-V836 WeakPolarHBondContact O-CG2 3.48Å; F832-V836 PolarHBondContact O-N 3.36Å; A833-V836 WeakPolarHBondContact O-CG2 3.14Å; A833-V836 PolarHBondContact O-N 3.48Å; V836-S838 PolarHBondContact O-N 2.97Å; V836-L845 HydrophobicContact CG1-CB 4.42Å; V836-L845 HydrophobicContact CG2-CB 3.46Å; V836-L845 VanDerWaalsContact CG2-CB 3.46Å; V836-L845 HydrophobicContact CG2-CD1 4.2Å; V836-L845 HydrophobicContact CG2-CG 4.34Å
837N72.2Confident75.6Confident84 Ų8433.1 Ų33.145%0.44920%0.197SC..THydrogen-bonded Turntrans-87.919.1179.8-66.2-26.2000111.9K418 F419 M835K418-N837 HydrophobicContact CD-CB 4.47Å; K418-N837 PolarHBondContact NZ-O 3.2Å; F419-N837 HydrophobicContact CE1-CB 4.45Å; F419-N837 HydrophobicContact CZ-CB 4.05Å; F419-N837 WeakPolarHBondContact CZ-ND2 3.01Å; M835-N837 VanDerWaalsContact C-N 3.29Å; M835-N837 PolarHBondContact O-N 2.93Å
838S79.1Confident73.9Confident17 Ų1737.3 Ų37.312%0.11922%0.22CC..SBendtrans-82.4164.5176.174.20000110.9M835 V836 I840M835-S838 WeakPolarHBondContact O-CB 3.24Å; M835-S838 PolarHBondContact O-N 3.26Å; M835-S838 PolarHBondContact O-OG 3.38Å; V836-S838 PolarHBondContact O-N 2.97Å; S838-I840 PolarHBondContact O-N 3.07Å
839T76.4Confident72.7Confident46 Ų4638.6 Ų38.628%0.28223%0.225SC..SBendtrans-89.912.6176.955.50000112.7C502 R654C502-T839 PolarHBondContact SG-OG1 3.44Å; R654-T839 PolarHBondContact NH1-OG1 2.84Å; R654-T839 PolarHBondContact NH2-O 3.27Å
840I76.7Confident71.7Confident8 Ų839.3 Ų39.34%0.04123%0.232CC..SBendtrans-78129.6177.3-54.4177.8000107.6R654 Q655 M835 S838 I843R654-I840 HydrophobicContact CB-CD1 3.85Å; R654-I840 HydrophobicContact CB-CG1 3.88Å; R654-I840 HydrophobicContact CB-CG2 4.29Å; Q655-I840 HydrophobicContact CB-CG2 4.11Å; M835-I840 HydrophobicContact CE-CD1 3.39Å; M835-I840 HydrophobicContact CE-CG1 4.47Å; S838-I840 PolarHBondContact O-N 3.07Å; I840-I843 HydrophobicContact CB-CD1 3.53Å; I840-I843 HydrophobicContact CB-CG1 3.93Å; I840-I843 HydrophobicContact CD1-CD1 3.82Å; I840-I843 HydrophobicContact CG1-CD1 4.23Å; I840-I843 HydrophobicContact CG2-CD1 3.49Å; I840-I843 VanDerWaalsContact CG2-CD1 3.49Å; I840-I843 HydrophobicContact CG2-CG1 3.84Å
841P68Low71.2Confident58 Ų5844.8 Ų44.838%0.37726%0.257SS..THydrogen-bonded Turntrans-54.6143.3176.420.8-30.6000110.9I843P841-I843 VanDerWaalsContact C-N 3.33Å; P841-I843 PolarHBondContact O-N 2.71Å
842D66.5Low70.9Confident56 Ų5647.8 Ų47.830%0.29927%0.269SS..THydrogen-bonded Turntrans70.913.4165.7-53.5-17.2000117.6R780R780-D842 IonicContact CZ-OD1 2.69Å; R780-D842 IonicContact CZ-OD2 2.63Å; R780-D842 IonicContact NH1-OD1 3.29Å; R780-D842 PolarHBondContact NH1-OD1 3.17Å; R780-D842 IonicContact NH1-OD2 3.67Å; R780-D842 PolarHBondContact NH1-OD2 3.29Å; R780-D842 IonicContact NH2-OD1 3.6Å
843I68.1Low70.9Confident5 Ų547.4 Ų47.43%0.02627%0.267CS..  trans-88.8-2.4-178.8-62.2-156.4000115L658 I777 M835 I840 P841 L845L658-I843 HydrophobicContact CD2-CD1 3.24Å; L658-I843 HydrophobicContact CD2-CG1 4.45Å; I777-I843 HydrophobicContact CD1-CG1 4.48Å; M835-I843 HydrophobicContact CB-CG2 3.72Å; M835-I843 VanDerWaalsContact O-CG2 3.3Å; M835-I843 WeakPolarHBondContact O-CG2 3.25Å; I840-I843 HydrophobicContact CB-CD1 3.53Å; I840-I843 HydrophobicContact CB-CG1 3.93Å; I840-I843 HydrophobicContact CD1-CD1 3.82Å; I840-I843 HydrophobicContact CG1-CD1 4.23Å; I840-I843 HydrophobicContact CG2-CD1 3.49Å; I840-I843 VanDerWaalsContact CG2-CD1 3.49Å; I840-I843 HydrophobicContact CG2-CG1 3.84Å; P841-I843 VanDerWaalsContact C-N 3.33Å; P841-I843 PolarHBondContact O-N 2.71Å; I843-L845 PolarHBondContact O-N 2.86Å
844A55.4Low71.1Confident68 Ų6847.1 Ų47.156%0.56226%0.264SS*.  trans-52.3120.4179.500000111.3E846 K849A844-E846 PolarHBondContact O-N 3.04Å; A844-K849 PolarHBondContact O-NZ 3.03Å
845L55.6Low70.8Confident49 Ų4950.2 Ų50.226%0.25728%0.28SS..  trans-74.8109.3-177.3-161.8107.1000108.8N319 F832 V836 I843N319-L845 HydrophobicContact CB-CD2 4.37Å; N319-L845 WeakPolarHBondContact ND2-CD2 3.39Å; F832-L845 HydrophobicContact CB-CD1 3.56Å; V836-L845 HydrophobicContact CG1-CB 4.42Å; V836-L845 HydrophobicContact CG2-CB 3.46Å; V836-L845 VanDerWaalsContact CG2-CB 3.46Å; V836-L845 HydrophobicContact CG2-CD1 4.2Å; V836-L845 HydrophobicContact CG2-CG 4.34Å; I843-L845 PolarHBondContact O-N 2.86Å
846E55.6Low70.6Confident113 Ų11357 Ų5753%0.52831%0.311SS..  trans-83.2140165.4-73175.116900108.5A844 D848 K849A844-E846 PolarHBondContact O-N 3.04Å; E846-D848 PolarHBondContact O-N 2.96Å; E846-D848 VanDerWaalsContact O-N 3.12Å; E846-K849 WeakPolarHBondContact O-CG 3.41Å; E846-K849 PolarHBondContact O-N 3.35Å; E846-K849 VanDerWaalsContact O-N 3.12Å
847P50Low70.9Confident105 Ų10556.6 Ų56.668%0.68231%0.307SS*.G310 helixtrans-54-31179.819.4-30.3000112.9K849 A850P847-K849 PolarHBondContact O-N 3.09Å; P847-A850 PolarHBondContact O-N 3.36Å
848D56.1Low71.8Confident93 Ų9356 Ų5650%0.49731%0.307SS..G310 helixtrans-58.5-19.3179.8-58.810.7000113.6E846 A850 E851E846-D848 PolarHBondContact O-N 2.96Å; E846-D848 VanDerWaalsContact O-N 3.12Å; D848-A850 PolarHBondContact O-N 3.04Å; D848-E851 VanDerWaalsContact O-CB 3.24Å; D848-E851 WeakPolarHBondContact O-CB 3.45Å; D848-E851 PolarHBondContact O-N 3.49Å; D848-E851 VanDerWaalsContact O-N 3.09Å
849K63.9Low72.3Confident26 Ų2658.2 Ų58.211%0.11332%0.317CS..G310 helixtrans-70.3-31.7-177.2-64.7174.6-172-1760112.7L778 A844 E846 P847 E851 R852L778-K849 HydrophobicContact CB-CD 4.05Å; L778-K849 VanDerWaalsContact CB-CE 3.48Å; L778-K849 HydrophobicContact CD1-CD 4.49Å; L778-K849 VanDerWaalsContact CD1-NZ 3.29Å; L778-K849 HydrophobicContact CD2-CD 4.28Å; L778-K849 WeakPolarHBondContact O-CE 3.33Å; A844-K849 PolarHBondContact O-NZ 3.03Å; E846-K849 WeakPolarHBondContact O-CG 3.41Å; E846-K849 PolarHBondContact O-N 3.35Å; E846-K849 VanDerWaalsContact O-N 3.12Å; P847-K849 PolarHBondContact O-N 3.09Å; K849-E851 PolarHBondContact O-N 3.45Å; K849-R852 PolarHBondContact O-N 2.81Å
850A66.1Low73.2Confident20 Ų2063.4 Ų63.417%0.16534%0.338CS..G310 helixtrans-67.5-23.6172.900000112L829 P847 D848 R852 F853L829-A850 HydrophobicContact CD1-CB 4.15Å; L829-A850 HydrophobicContact CD2-CB 3.95Å; P847-A850 PolarHBondContact O-N 3.36Å; D848-A850 PolarHBondContact O-N 3.04Å; A850-R852 VanDerWaalsContact C-N 3.3Å; A850-R852 PolarHBondContact O-N 2.87Å; A850-F853 PolarHBondContact O-N 3.4Å
851E75.7Confident74Confident116 Ų11667.4 Ų67.454%0.54236%0.357SS..G310 helixtrans-69.7-27.1-179.9-54-172.6156.200112.3D848 K849 F853 L854D848-E851 VanDerWaalsContact O-CB 3.24Å; D848-E851 WeakPolarHBondContact O-CB 3.45Å; D848-E851 PolarHBondContact O-N 3.49Å; D848-E851 VanDerWaalsContact O-N 3.09Å; K849-E851 PolarHBondContact O-N 3.45Å; E851-F853 PolarHBondContact O-N 2.98Å; E851-L854 WeakPolarHBondContact O-CA 3.45Å; E851-L854 WeakPolarHBondContact O-CD2 3.36Å; E851-L854 PolarHBondContact O-N 3.46Å
852R84.2Confident75.1Confident65 Ų6564.7 Ų64.725%0.24534%0.339CS..G310 helixtrans-63.1-24.5175.9-67.5178.8173.6-91.6-8.7113.7Y749 K849 A850 L854Y749-R852 HydrophobicContact CE1-CB 4.48Å; Y749-R852 VanDerWaalsContact CE1-O 3.28Å; Y749-R852 WeakPolarHBondContact CE1-O 3.23Å; Y749-R852 WeakPolarHBondContact O-CD 3.35Å; Y749-R852 PolarHBondContact O-NH1 2.88Å; Y749-R852 PolarHBondContact OH-O 3.47Å; K849-R852 PolarHBondContact O-N 2.81Å; A850-R852 VanDerWaalsContact C-N 3.3Å; A850-R852 PolarHBondContact O-N 2.87Å; R852-L854 VanDerWaalsContact C-N 3.29Å
853F86.3Confident76.4Confident5 Ų563.2 Ų63.22%0.02233%0.332CS..G310 helixtrans-82.9-7.7173-73.2-84.4000112.8L750 R822 A825 F828 A850 E851 L855L750-F853 HydrophobicContact CB-CZ 4.48Å; L750-F853 HydrophobicContact CD1-CE1 4.06Å; L750-F853 HydrophobicContact CD2-CD1 3.71Å; L750-F853 HydrophobicContact CD2-CE1 3.77Å; L750-F853 HydrophobicContact CD2-CG 4.16Å; L750-F853 HydrophobicContact CD2-CZ 4.23Å; L750-F853 HydrophobicContact CG-CE1 4.38Å; R822-F853 WeakPolarHBondContact CD-O 2.99Å; R822-F853 WeakPolarHBondContact CG-O 3.27Å; R822-F853 PolarHBondContact NE-O 3.43Å; A825-F853 HydrophobicContact CB-CB 3.96Å; A825-F853 HydrophobicContact CB-CD1 3.61Å; A825-F853 HydrophobicContact CB-CD2 4.28Å; A825-F853 HydrophobicContact CB-CE1 4.09Å; A825-F853 HydrophobicContact CB-CG 3.69Å; F828-F853 HydrophobicContact CB-CE2 4.46Å; F828-F853 HydrophobicContact CB-CZ 3.96Å; F828-F853 AromaticContact CD2-CE1 3.78Å; F828-F853 HydrophobicContact CD2-CE1 3.78Å; F828-F853 AromaticContact CD2-CZ 3.65Å; F828-F853 HydrophobicContact CD2-CZ 3.65Å; F828-F853 HydrophobicContact CE2-CE1 4.32Å; F828-F853 HydrophobicContact CG-CZ 4.08Å; A850-F853 PolarHBondContact O-N 3.4Å; E851-F853 PolarHBondContact O-N 2.98Å; F853-L855 VanDerWaalsContact C-N 3.27Å; F853-L855 HydrophobicContact CB-CD2 3.92Å; F853-L855 HydrophobicContact CB-CG 3.89Å; F853-L855 PolarHBondContact O-N 2.82Å
854L84.3Confident77.7Confident7 Ų768.4 Ų68.44%0.03736%0.356CS..THydrogen-bonded Turntrans51.844.7178.1-56.4170.8000112.3F818 R822 E851 R852 H856 L857 A862 Y865F818-L854 HydrophobicContact CE1-CD1 4.3Å; F818-L854 HydrophobicContact CZ-CB 4.49Å; F818-L854 HydrophobicContact CZ-CD1 3.82Å; F818-L854 HydrophobicContact CZ-CG 4.31Å; R822-L854 PolarHBondContact NE-O 2.86Å; R822-L854 PolarHBondContact NH2-O 2.91Å; E851-L854 WeakPolarHBondContact O-CA 3.45Å; E851-L854 WeakPolarHBondContact O-CD2 3.36Å; E851-L854 PolarHBondContact O-N 3.46Å; R852-L854 VanDerWaalsContact C-N 3.29Å; L854-H856 PolarHBondContact O-N 3.46Å; L854-L857 HydrophobicContact CB-CB 4.49Å; L854-L857 HydrophobicContact CB-CD1 4.04Å; L854-L857 HydrophobicContact CB-CG 4.33Å; L854-L857 HydrophobicContact CD1-CD1 4.27Å; L854-L857 HydrophobicContact CD2-CD1 4.19Å; L854-L857 HydrophobicContact CG-CD1 4.4Å; L854-L857 PolarHBondContact O-N 3.32Å; L854-L857 VanDerWaalsContact O-N 3.12Å; L854-A862 HydrophobicContact CB-CB 4.39Å; L854-A862 HydrophobicContact CD1-CB 4.45Å; L854-Y865 HydrophobicContact CD1-CD1 3.37Å; L854-Y865 HydrophobicContact CD1-CE1 4.12Å; L854-Y865 HydrophobicContact CD1-CG 3.84Å; L854-Y865 HydrophobicContact CD2-CD1 3.98Å; L854-Y865 HydrophobicContact CD2-CE1 3.97Å; L854-Y865 HydrophobicContact CD2-CG 4.45Å; L854-Y865 HydrophobicContact CG-CD1 4.32Å
855L82.2Confident79.4Confident66 Ų6669.9 Ų69.935%0.34635%0.348SS..THydrogen-bonded Turntrans-67.1-16.3-175.3-61.5-179.7000113.8R822 A825 L829 F853 L857R822-L855 HydrophobicContact CG-CD2 4.23Å; A825-L855 HydrophobicContact CB-CD1 4.05Å; A825-L855 HydrophobicContact CB-CD2 3.62Å; A825-L855 HydrophobicContact CB-CG 4.31Å; L829-L855 HydrophobicContact CD1-CD1 4.05Å; F853-L855 VanDerWaalsContact C-N 3.27Å; F853-L855 HydrophobicContact CB-CD2 3.92Å; F853-L855 HydrophobicContact CB-CG 3.89Å; F853-L855 PolarHBondContact O-N 2.82Å; L855-L857 VanDerWaalsContact C-N 3.34Å
856H80.4Confident81.1Confident142 Ų14267.6 Ų67.666%0.65734%0.336SS*.THydrogen-bonded Turntrans-81.8-12.7176.562.5-85.2000113.4L854L854-H856 PolarHBondContact O-N 3.46Å
857L86.3Confident82.9Confident40 Ų4065.2 Ų65.221%0.20933%0.325CS..SBendtrans-95.9162.5-179.4-60.8-175.6000111.9R822 L854 L855 E861 A862R822-L857 PolarHBondContact NH2-O 2.99Å; L854-L857 HydrophobicContact CB-CB 4.49Å; L854-L857 HydrophobicContact CB-CD1 4.04Å; L854-L857 HydrophobicContact CB-CG 4.33Å; L854-L857 HydrophobicContact CD1-CD1 4.27Å; L854-L857 HydrophobicContact CD2-CD1 4.19Å; L854-L857 HydrophobicContact CG-CD1 4.4Å; L854-L857 PolarHBondContact O-N 3.32Å; L854-L857 VanDerWaalsContact O-N 3.12Å; L855-L857 VanDerWaalsContact C-N 3.34Å; L857-E861 HydrophobicContact CB-CB 3.97Å; L857-E861 HydrophobicContact CD1-CB 4.35Å; L857-E861 HydrophobicContact CD2-CB 4.4Å; L857-E861 HydrophobicContact CG-CB 4.47Å; L857-A862 HydrophobicContact CB-CB 4.3Å
858T89.9Confident84.8Confident72 Ų7265.7 Ų65.744%0.44232%0.318SS..  trans-74.6166.4164.660.30000111.3E860 E861 A862T858-E860 VanDerWaalsContact C-N 3.26Å; T858-E860 PolarHBondContact O-N 3.19Å; T858-E861 WeakPolarHBondContact CB-OE2 3.47Å; T858-E861 WeakPolarHBondContact CG2-OE2 3.48Å; T858-E861 PolarHBondContact N-OE2 2.95Å; T858-E861 PolarHBondContact O-N 3.49Å; T858-E861 WeakPolarHBondContact OG1-CB 2.97Å; T858-E861 WeakPolarHBondContact OG1-CG 3.3Å; T858-E861 PolarHBondContact OG1-N 3.17Å; T858-E861 PolarHBondContact OG1-OE2 2.78Å; T858-A862 WeakPolarHBondContact O-CB 3.28Å; T858-A862 PolarHBondContact O-N 2.96Å
859D91.5Very high86.4Confident62 Ų6262.2 Ų62.233%0.33230%0.299SS..Hα-helixtrans-59.2-39177.5-77.112.8000111.5L819 R822 R823 A862 V863L819-D859 HydrophobicContact CD2-CB 3.91Å; R822-D859 IonicContact CZ-OD1 3.22Å; R822-D859 IonicContact NH1-OD1 3.4Å; R822-D859 PolarHBondContact NH1-OD1 3.28Å; R823-D859 IonicContact NH2-OD2 3.02Å; D859-A862 PolarHBondContact O-N 3.06Å; D859-V863 WeakPolarHBondContact O-CG2 3.22Å; D859-V863 PolarHBondContact O-N 3.38Å
860E93.3Very high87.6Confident155 Ų15561 Ų6172%0.72429%0.294SS*.Hα-helixtrans-67.3-48.6179.3-70.3154.6-170.600112T858 A862 V863 Q864T858-E860 VanDerWaalsContact C-N 3.26Å; T858-E860 PolarHBondContact O-N 3.19Å; E860-A862 VanDerWaalsContact C-N 3.31Å; E860-A862 PolarHBondContact O-N 2.96Å; E860-V863 PolarHBondContact O-N 2.83Å; E860-Q864 WeakPolarHBondContact O-CG 3.4Å; E860-Q864 PolarHBondContact O-N 2.87Å
861E93.8Very high88.5Confident93 Ų9363.4 Ų63.444%0.43530%0.304SS..Hα-helixtrans-62.7-39176.1-71.3166.3149.300111.5L857 T858 V863 Q864 Y865L857-E861 HydrophobicContact CB-CB 3.97Å; L857-E861 HydrophobicContact CD1-CB 4.35Å; L857-E861 HydrophobicContact CD2-CB 4.4Å; L857-E861 HydrophobicContact CG-CB 4.47Å; T858-E861 WeakPolarHBondContact CB-OE2 3.47Å; T858-E861 WeakPolarHBondContact CG2-OE2 3.48Å; T858-E861 PolarHBondContact N-OE2 2.95Å; T858-E861 PolarHBondContact O-N 3.49Å; T858-E861 WeakPolarHBondContact OG1-CB 2.97Å; T858-E861 WeakPolarHBondContact OG1-CG 3.3Å; T858-E861 PolarHBondContact OG1-N 3.17Å; T858-E861 PolarHBondContact OG1-OE2 2.78Å; E861-V863 VanDerWaalsContact C-N 3.35Å; E861-V863 PolarHBondContact O-N 3.34Å; E861-Q864 PolarHBondContact O-N 3.36Å; E861-Y865 WeakPolarHBondContact O-CB 3.47Å; E861-Y865 PolarHBondContact O-N 3.43Å
862A92.7Very high88.8Confident0 Ų062 Ų620%030%0.303CS..Hα-helixtrans-66.4-36.617900000111.8F818 L854 L857 T858 D859 E860 M866F818-A862 HydrophobicContact CE1-CB 3.97Å; L854-A862 HydrophobicContact CB-CB 4.39Å; L854-A862 HydrophobicContact CD1-CB 4.45Å; L857-A862 HydrophobicContact CB-CB 4.3Å; T858-A862 WeakPolarHBondContact O-CB 3.28Å; T858-A862 PolarHBondContact O-N 2.96Å; D859-A862 PolarHBondContact O-N 3.06Å; E860-A862 VanDerWaalsContact C-N 3.31Å; E860-A862 PolarHBondContact O-N 2.96Å; A862-M866 WeakPolarHBondContact O-CB 3.24Å; A862-M866 PolarHBondContact O-N 3.04Å
863V93.9Very high88.7Confident26 Ų2659 Ų5916%0.15829%0.292CS..Hα-helixtrans-67-44.1172.4170.40000111.5Y815 L819 D859 E860 E861 Y865 M866 Q867Y815-V863 HydrophobicContact CD1-CG1 4.49Å; Y815-V863 HydrophobicContact CD2-CG1 4.37Å; Y815-V863 HydrophobicContact CG-CG1 4.1Å; L819-V863 HydrophobicContact CD1-CG2 3.6Å; L819-V863 HydrophobicContact CD2-CG2 3.93Å; L819-V863 HydrophobicContact CG-CG2 3.77Å; D859-V863 WeakPolarHBondContact O-CG2 3.22Å; D859-V863 PolarHBondContact O-N 3.38Å; E860-V863 PolarHBondContact O-N 2.83Å; E861-V863 VanDerWaalsContact C-N 3.35Å; E861-V863 PolarHBondContact O-N 3.34Å; V863-Y865 VanDerWaalsContact C-N 3.29Å; V863-Y865 PolarHBondContact O-N 3.3Å; V863-M866 PolarHBondContact O-N 3.13Å; V863-Q867 HydrophobicContact CG1-CG 4.49Å; V863-Q867 WeakPolarHBondContact O-CG 3.19Å; V863-Q867 PolarHBondContact O-N 3.4Å
864Q93.6Very high88.3Confident113 Ų11359.7 Ų59.753%0.52830%0.296SS..Hα-helixtrans-60.8-40.5176.4-72.9-179.91.600111.5E860 E861 Q867 Q868E860-Q864 WeakPolarHBondContact O-CG 3.4Å; E860-Q864 PolarHBondContact O-N 2.87Å; E861-Q864 PolarHBondContact O-N 3.36Å; Q864-Q867 WeakPolarHBondContact O-CB 3.32Å; Q864-Q867 PolarHBondContact O-N 3.43Å; Q864-Q868 WeakPolarHBondContact O-CG 3.41Å; Q864-Q868 PolarHBondContact O-N 3.35Å
865Y92.1Very high87.7Confident99 Ų9962.8 Ų62.839%0.38832%0.318SS..Hα-helixtrans-64.4-43.6174.9-165.6-88.9000111.5L854 E861 V863 Q867 Q868 L869L854-Y865 HydrophobicContact CD1-CD1 3.37Å; L854-Y865 HydrophobicContact CD1-CE1 4.12Å; L854-Y865 HydrophobicContact CD1-CG 3.84Å; L854-Y865 HydrophobicContact CD2-CD1 3.98Å; L854-Y865 HydrophobicContact CD2-CE1 3.97Å; L854-Y865 HydrophobicContact CD2-CG 4.45Å; L854-Y865 HydrophobicContact CG-CD1 4.32Å; E861-Y865 WeakPolarHBondContact O-CB 3.47Å; E861-Y865 PolarHBondContact O-N 3.43Å; V863-Y865 VanDerWaalsContact C-N 3.29Å; V863-Y865 PolarHBondContact O-N 3.3Å; Y865-Q867 VanDerWaalsContact C-N 3.31Å; Y865-Q867 PolarHBondContact O-N 3.44Å; Y865-Q868 PolarHBondContact O-N 3.49Å; Y865-L869 HydrophobicContact CD1-CD1 3.66Å; Y865-L869 HydrophobicContact CD1-CD2 4.48Å; Y865-L869 HydrophobicContact CD1-CG 3.84Å; Y865-L869 HydrophobicContact CE1-CD1 3.61Å; Y865-L869 HydrophobicContact CE1-CD2 3.87Å; Y865-L869 HydrophobicContact CE1-CG 3.71Å; Y865-L869 WeakPolarHBondContact O-CG 3.33Å; Y865-L869 PolarHBondContact O-N 3.02Å
866M92Very high86.9Confident1 Ų162.4 Ų62.41%0.00532%0.324CS..Hα-helixtrans-63.2-36.2175.9-169.261.8-177.300112.4V746 Y749 V789 Y815 F818 A862 V863 L869 I870V746-M866 HydrophobicContact CG2-CE 4.16Å; Y749-M866 HydrophobicContact CD1-CE 4.48Å; Y749-M866 HydrophobicContact CD1-SD 4.3Å; Y749-M866 HydrophobicContact CE1-SD 4.39Å; V789-M866 HydrophobicContact CG2-CE 4.18Å; Y815-M866 HydrophobicContact CD1-CB 4.33Å; Y815-M866 HydrophobicContact CD1-CG 4.06Å; Y815-M866 HydrophobicContact CE1-CG 4.29Å; F818-M866 HydrophobicContact CD1-CB 4.28Å; F818-M866 HydrophobicContact CD1-CG 4.41Å; F818-M866 HydrophobicContact CD2-SD 4.4Å; F818-M866 HydrophobicContact CG-CG 4.34Å; A862-M866 WeakPolarHBondContact O-CB 3.24Å; A862-M866 PolarHBondContact O-N 3.04Å; V863-M866 PolarHBondContact O-N 3.13Å; M866-L869 PolarHBondContact O-N 3.37Å; M866-L869 HydrophobicContact SD-CD1 4.11Å; M866-I870 HydrophobicContact CE-CD1 4.45Å; M866-I870 HydrophobicContact CE-CG1 4.49Å; M866-I870 WeakPolarHBondContact O-CG1 3.5Å; M866-I870 PolarHBondContact O-N 3.05Å; M866-I870 VanDerWaalsContact O-N 3.12Å
867Q91.9Very high85.9Confident64 Ų6458.1 Ų58.130%0.29930%0.304SS..Hα-helixtrans-58.6-52.1171.3-76.5172.3-100110.9Y815 V863 Q864 Y865 L869 I870 D871Y815-Q867 HydrophobicContact CD1-CG 4.34Å; Y815-Q867 HydrophobicContact CD2-CG 4.47Å; Y815-Q867 HydrophobicContact CE1-CB 4.42Å; Y815-Q867 HydrophobicContact CE1-CG 3.59Å; Y815-Q867 HydrophobicContact CE2-CG 3.73Å; Y815-Q867 WeakPolarHBondContact OH-CG 3.23Å; V863-Q867 HydrophobicContact CG1-CG 4.49Å; V863-Q867 WeakPolarHBondContact O-CG 3.19Å; V863-Q867 PolarHBondContact O-N 3.4Å; Q864-Q867 WeakPolarHBondContact O-CB 3.32Å; Q864-Q867 PolarHBondContact O-N 3.43Å; Y865-Q867 VanDerWaalsContact C-N 3.31Å; Y865-Q867 PolarHBondContact O-N 3.44Å; Q867-L869 VanDerWaalsContact C-N 3.31Å; Q867-L869 PolarHBondContact O-N 2.9Å; Q867-I870 PolarHBondContact O-N 3.07Å; Q867-I870 VanDerWaalsContact O-N 3.16Å; Q867-D871 VanDerWaalsContact O-CG 3.31Å; Q867-D871 PolarHBondContact O-N 3.01Å
868Q90.7Very high84.6Confident114 Ų11460.4 Ų60.453%0.53332%0.315SS..Hα-helixtrans-59.1-40.8178.2-69.7172.97.400112.1Q864 Y865 I870 D871 V872Q864-Q868 WeakPolarHBondContact O-CG 3.41Å; Q864-Q868 PolarHBondContact O-N 3.35Å; Y865-Q868 PolarHBondContact O-N 3.49Å; Q868-I870 VanDerWaalsContact C-N 3.35Å; Q868-I870 PolarHBondContact O-N 3.1Å; Q868-D871 PolarHBondContact O-N 2.83Å; Q868-V872 WeakPolarHBondContact O-CB 3.45Å; Q868-V872 VanDerWaalsContact O-CG2 3.24Å; Q868-V872 WeakPolarHBondContact O-CG2 3.48Å; Q868-V872 PolarHBondContact O-N 3.03Å
869L89.2Confident82.9Confident20 Ų2059.5 Ų59.511%0.10531%0.314CS..Hα-helixtrans-61.8-41177-73.2175.9000112.7Y749 P788 V789 Y865 M866 Q867 S873Y749-L869 HydrophobicContact CD2-CD1 4.32Å; Y749-L869 HydrophobicContact CE1-CD1 4.21Å; Y749-L869 HydrophobicContact CE2-CD1 3.54Å; Y749-L869 VanDerWaalsContact CZ-CD1 3.48Å; Y749-L869 WeakPolarHBondContact OH-CD1 3.39Å; P788-L869 HydrophobicContact CB-CD2 3.88Å; P788-L869 HydrophobicContact CG-CD2 3.77Å; V789-L869 HydrophobicContact CG2-CB 4.2Å; Y865-L869 HydrophobicContact CD1-CD1 3.66Å; Y865-L869 HydrophobicContact CD1-CD2 4.48Å; Y865-L869 HydrophobicContact CD1-CG 3.84Å; Y865-L869 HydrophobicContact CE1-CD1 3.61Å; Y865-L869 HydrophobicContact CE1-CD2 3.87Å; Y865-L869 HydrophobicContact CE1-CG 3.71Å; Y865-L869 WeakPolarHBondContact O-CG 3.33Å; Y865-L869 PolarHBondContact O-N 3.02Å; M866-L869 PolarHBondContact O-N 3.37Å; M866-L869 HydrophobicContact SD-CD1 4.11Å; Q867-L869 VanDerWaalsContact C-N 3.31Å; Q867-L869 PolarHBondContact O-N 2.9Å; L869-S873 WeakPolarHBondContact O-CB 3.29Å; L869-S873 PolarHBondContact O-N 3.06Å; L869-S873 PolarHBondContact O-OG 2.81Å
870I88.5Confident81.1Confident2 Ų259.3 Ų59.31%0.0132%0.321CS..Hα-helixtrans-65.7-47.2175.9-68.5177.5000109.6V789 W807 F810 A814 Y815 M866 Q867 Q868 V872 S873 I874V789-I870 HydrophobicContact CG2-CG1 4.2Å; W807-I870 HydrophobicContact CH2-CG2 4.1Å; W807-I870 HydrophobicContact CZ2-CG2 4.12Å; F810-I870 HydrophobicContact CE1-CD1 4.37Å; A814-I870 HydrophobicContact CB-CD1 4.26Å; Y815-I870 HydrophobicContact CE1-CD1 3.76Å; M866-I870 HydrophobicContact CE-CD1 4.45Å; M866-I870 HydrophobicContact CE-CG1 4.49Å; M866-I870 WeakPolarHBondContact O-CG1 3.5Å; M866-I870 PolarHBondContact O-N 3.05Å; M866-I870 VanDerWaalsContact O-N 3.12Å; Q867-I870 PolarHBondContact O-N 3.07Å; Q867-I870 VanDerWaalsContact O-N 3.16Å; Q868-I870 VanDerWaalsContact C-N 3.35Å; Q868-I870 PolarHBondContact O-N 3.1Å; I870-V872 PolarHBondContact O-N 3.26Å; I870-S873 WeakPolarHBondContact O-CB 3.34Å; I870-S873 PolarHBondContact O-N 2.57Å; I870-S873 VanDerWaalsContact O-N 3.17Å; I870-I874 HydrophobicContact CG2-CD1 3.74Å; I870-I874 WeakPolarHBondContact O-CD1 3.47Å; I870-I874 VanDerWaalsContact O-CG1 3.27Å; I870-I874 WeakPolarHBondContact O-CG1 3.4Å; I870-I874 PolarHBondContact O-N 3.27Å
871D85.7Confident79Confident69 Ų6953.9 Ų53.937%0.36930%0.297SS..Hα-helixtrans-63.3-40-178.8-66-21.5000112.1Q867 Q868 I874 S875Q867-D871 VanDerWaalsContact O-CG 3.31Å; Q867-D871 PolarHBondContact O-N 3.01Å; Q868-D871 PolarHBondContact O-N 2.83Å; D871-I874 PolarHBondContact O-N 2.67Å; D871-S875 WeakPolarHBondContact O-CB 3.3Å; D871-S875 PolarHBondContact O-N 3.01Å; D871-S875 PolarHBondContact O-OG 2.87Å
872V83.2Confident77Confident86 Ų8653.7 Ų53.752%0.52130%0.302SS..Hα-helixtrans-65.3-43.4173.8169.30000111Q868 I870 I874 S875 A876Q868-V872 WeakPolarHBondContact O-CB 3.45Å; Q868-V872 VanDerWaalsContact O-CG2 3.24Å; Q868-V872 WeakPolarHBondContact O-CG2 3.48Å; Q868-V872 PolarHBondContact O-N 3.03Å; I870-V872 PolarHBondContact O-N 3.26Å; V872-I874 PolarHBondContact O-N 3.29Å; V872-S875 PolarHBondContact O-N 3.25Å; V872-A876 WeakPolarHBondContact O-CB 3.4Å; V872-A876 PolarHBondContact O-N 3.31Å
873S81.1Confident74.8Confident2 Ų258.6 Ų58.61%0.01433%0.328CS..Hα-helixtrans-61.9-30.9179.1-60.40000112.1P788 V789 L869 I870P788-S873 WeakPolarHBondContact CD-OG 3.35Å; P788-S873 WeakPolarHBondContact CG-OG 3.22Å; V789-S873 PolarHBondContact N-OG 3.1Å; V789-S873 VanDerWaalsContact N-OG 3.11Å; L869-S873 WeakPolarHBondContact O-CB 3.29Å; L869-S873 PolarHBondContact O-N 3.06Å; L869-S873 PolarHBondContact O-OG 2.81Å; I870-S873 WeakPolarHBondContact O-CB 3.34Å; I870-S873 PolarHBondContact O-N 2.57Å; I870-S873 VanDerWaalsContact O-N 3.17Å
874I77.9Confident72.6Confident20 Ų2063.3 Ų63.310%0.10335%0.35CS..Hα-helixtrans-76.7-49.4174.2-67.6160.9000110.9I796 F802 W807 I870 D871 V872 A876 K877 M878I796-I874 HydrophobicContact CD1-CG1 4.13Å; F802-I874 HydrophobicContact CD1-CD1 4.49Å; F802-I874 HydrophobicContact CD1-CG2 4.24Å; F802-I874 HydrophobicContact CE1-CB 4.3Å; F802-I874 HydrophobicContact CE1-CD1 4.03Å; F802-I874 HydrophobicContact CE1-CG1 4.07Å; F802-I874 HydrophobicContact CE1-CG2 3.26Å; F802-I874 HydrophobicContact CZ-CG2 3.53Å; W807-I874 HydrophobicContact CH2-CD1 3.7Å; W807-I874 HydrophobicContact CZ2-CD1 3.37Å; I870-I874 HydrophobicContact CG2-CD1 3.74Å; I870-I874 WeakPolarHBondContact O-CD1 3.47Å; I870-I874 VanDerWaalsContact O-CG1 3.27Å; I870-I874 WeakPolarHBondContact O-CG1 3.4Å; I870-I874 PolarHBondContact O-N 3.27Å; D871-I874 PolarHBondContact O-N 2.67Å; V872-I874 PolarHBondContact O-N 3.29Å; I874-A876 VanDerWaalsContact C-N 3.35Å; I874-A876 PolarHBondContact O-N 3.24Å; I874-K877 WeakPolarHBondContact O-CA 3.21Å; I874-K877 WeakPolarHBondContact O-CB 3.43Å; I874-K877 PolarHBondContact O-N 3.46Å; I874-M878 HydrophobicContact CG2-CG 4.39Å; I874-M878 PolarHBondContact O-N 3.2Å
875S72.1Confident70.4Confident72 Ų7264.3 Ų64.350%0.50336%0.356SS..Hα-helixtrans-62.4-41.7-175.3-57.60000111.9D871 V872 K877 M878 A879D871-S875 WeakPolarHBondContact O-CB 3.3Å; D871-S875 PolarHBondContact O-N 3.01Å; D871-S875 PolarHBondContact O-OG 2.87Å; V872-S875 PolarHBondContact O-N 3.25Å; S875-K877 PolarHBondContact O-N 3.05Å; S875-M878 PolarHBondContact O-N 3.29Å; S875-M878 VanDerWaalsContact O-N 3.13Å; S875-A879 PolarHBondContact O-N 3.02Å
876A65.2Low68.2Low58 Ų5864.7 Ų64.748%0.47936%0.361SS..Hα-helixtrans-57.8-31.5174.400000112.3V872 I874 A880V872-A876 WeakPolarHBondContact O-CB 3.4Å; V872-A876 PolarHBondContact O-N 3.31Å; I874-A876 VanDerWaalsContact C-N 3.35Å; I874-A876 PolarHBondContact O-N 3.24Å; A876-A880 PolarHBondContact O-N 3.13Å
877K60.3Low66Low53 Ų5369.4 Ų69.423%0.2339%0.387CS..Hα-helixtrans-82.7-35.2176.5-69.3-169.6176.1-163.20112.9L791 I874 S875 A879 A880 I881L791-K877 VanDerWaalsContact O-CE 3.32Å; L791-K877 WeakPolarHBondContact O-CE 3.28Å; L791-K877 PolarHBondContact O-NZ 2.75Å; I874-K877 WeakPolarHBondContact O-CA 3.21Å; I874-K877 WeakPolarHBondContact O-CB 3.43Å; I874-K877 PolarHBondContact O-N 3.46Å; S875-K877 PolarHBondContact O-N 3.05Å; K877-A879 VanDerWaalsContact C-N 3.3Å; K877-A879 PolarHBondContact O-N 3.44Å; K877-A880 PolarHBondContact O-N 3.47Å; K877-I881 WeakPolarHBondContact O-CD1 3.49Å; K877-I881 VanDerWaalsContact O-CG1 3.28Å; K877-I881 WeakPolarHBondContact O-CG1 2.95Å; K877-I881 PolarHBondContact O-N 3.4Å
878M57.5Low64Low88 Ų8870 Ų7043%0.43339%0.394SS..Hα-helixtrans-61.1-41.4172.4-72.2-63.8-72.600111.1F802 I874 S875 A880 I881 V882F802-M878 HydrophobicContact CE2-SD 4.3Å; I874-M878 HydrophobicContact CG2-CG 4.39Å; I874-M878 PolarHBondContact O-N 3.2Å; S875-M878 PolarHBondContact O-N 3.29Å; S875-M878 VanDerWaalsContact O-N 3.13Å; M878-A880 PolarHBondContact O-N 3.28Å; M878-I881 PolarHBondContact O-N 3.21Å; M878-I881 HydrophobicContact SD-CD1 4.39Å; M878-V882 WeakPolarHBondContact O-CG2 3.22Å; M878-V882 PolarHBondContact O-N 3.45Å
879A54.3Low62Low52 Ų5266.9 Ų66.943%0.4339%0.388SS..Hα-helixtrans-58.1-47.5173.700000111.9S875 K877 I881 V882 D883S875-A879 PolarHBondContact O-N 3.02Å; K877-A879 VanDerWaalsContact C-N 3.3Å; K877-A879 PolarHBondContact O-N 3.44Å; A879-I881 VanDerWaalsContact C-N 3.26Å; A879-I881 PolarHBondContact O-N 3.4Å; A879-V882 PolarHBondContact O-N 3.35Å; A879-D883 PolarHBondContact O-N 3.21Å
880A54.7Low60.4Low58 Ų5871.2 Ų71.248%0.47941%0.408SS..Hα-helixtrans-62.1-30.8177.400000113.6A876 K877 M878 M884A876-A880 PolarHBondContact O-N 3.13Å; K877-A880 PolarHBondContact O-N 3.47Å; M878-A880 PolarHBondContact O-N 3.28Å; A880-M884 WeakPolarHBondContact O-CB 3.4Å; A880-M884 PolarHBondContact O-N 3.21Å; A880-M884 VanDerWaalsContact O-N 3.07Å
881I48.6Very low59.2Low41 Ų4180 Ų8021%0.2144%0.442CS..Hα-helixtrans-76.5-40.5176.8-66158.6000111K793 K877 M878 A879 D883 M884 M885K793-I881 HydrophobicContact CD-CD1 3.62Å; K793-I881 HydrophobicContact CG-CD1 4.07Å; K877-I881 WeakPolarHBondContact O-CD1 3.49Å; K877-I881 VanDerWaalsContact O-CG1 3.28Å; K877-I881 WeakPolarHBondContact O-CG1 2.95Å; K877-I881 PolarHBondContact O-N 3.4Å; M878-I881 PolarHBondContact O-N 3.21Å; M878-I881 HydrophobicContact SD-CD1 4.39Å; A879-I881 VanDerWaalsContact C-N 3.26Å; A879-I881 PolarHBondContact O-N 3.4Å; I881-D883 VanDerWaalsContact C-N 3.33Å; I881-M884 PolarHBondContact O-N 3.17Å; I881-M885 HydrophobicContact CG2-CG 4.45Å; I881-M885 HydrophobicContact CG2-SD 4.37Å; I881-M885 WeakPolarHBondContact O-CB 3.48Å; I881-M885 WeakPolarHBondContact O-CG 3.3Å; I881-M885 PolarHBondContact O-N 3.19Å
882V50.8Low57.6Low89 Ų8983 Ų8354%0.53946%0.458SS..Hα-helixtrans-63.8-41.9176.1172.60000110.2M878 A879 M885 H886M878-V882 WeakPolarHBondContact O-CG2 3.22Å; M878-V882 PolarHBondContact O-N 3.45Å; A879-V882 PolarHBondContact O-N 3.35Å; V882-M885 PolarHBondContact O-N 2.69Å; V882-H886 VanDerWaalsContact O-CB 3.28Å; V882-H886 WeakPolarHBondContact O-CB 3.25Å; V882-H886 PolarHBondContact O-N 3.49Å
883D48.4Very low56Low103 Ų10389.8 Ų89.855%0.55147%0.474SS*.Hα-helixtrans-63.7-45.5175-72.6-19000111.4A879 I881 M885 H886 D887A879-D883 PolarHBondContact O-N 3.21Å; I881-D883 VanDerWaalsContact C-N 3.33Å; D883-M885 PolarHBondContact O-N 3.07Å; D883-H886 PolarHBondContact O-N 3.44Å; D883-D887 PolarHBondContact O-N 3.38Å
884M47.1Very low54.1Low125 Ų125101.1 Ų101.162%0.61652%0.523SS*.Hα-helixtrans-62.8-41.1175.6-168.3-155.2-65.700112A880 I881 H886 D887 V888A880-M884 WeakPolarHBondContact O-CB 3.4Å; A880-M884 PolarHBondContact O-N 3.21Å; A880-M884 VanDerWaalsContact O-N 3.07Å; I881-M884 PolarHBondContact O-N 3.17Å; M884-H886 VanDerWaalsContact C-N 3.33Å; M884-D887 PolarHBondContact O-N 2.95Å; M884-V888 HydrophobicContact CG-CG2 4.47Å; M884-V888 WeakPolarHBondContact O-CB 3.44Å; M884-V888 VanDerWaalsContact O-CG2 3.24Å; M884-V888 WeakPolarHBondContact O-CG2 3.44Å; M884-V888 PolarHBondContact O-N 3.31Å
885M48.1Very low52.9Low134 Ų134105.2 Ų105.266%0.6654%0.544SS*.Hα-helixtrans-66.6-36.2176-81.5-173127.400111.7I881 V882 D883 A889I881-M885 HydrophobicContact CG2-CG 4.45Å; I881-M885 HydrophobicContact CG2-SD 4.37Å; I881-M885 WeakPolarHBondContact O-CB 3.48Å; I881-M885 WeakPolarHBondContact O-CG 3.3Å; I881-M885 PolarHBondContact O-N 3.19Å; V882-M885 PolarHBondContact O-N 2.69Å; D883-M885 PolarHBondContact O-N 3.07Å; M885-A889 WeakPolarHBondContact O-CB 3.5Å; M885-A889 PolarHBondContact O-N 3.09Å
886H44.9Very low51.9Low108 Ų108106.9 Ų106.950%0.555%0.546SS..Hα-helixtrans-67.2-40.8175.6-164.9-76.6000111.2V882 D883 M884 A889 Q890V882-H886 VanDerWaalsContact O-CB 3.28Å; V882-H886 WeakPolarHBondContact O-CB 3.25Å; V882-H886 PolarHBondContact O-N 3.49Å; D883-H886 PolarHBondContact O-N 3.44Å; M884-H886 VanDerWaalsContact C-N 3.33Å; H886-A889 PolarHBondContact O-N 3.25Å; H886-Q890 PolarHBondContact CE1-NE2 3.49Å; H886-Q890 VanDerWaalsContact CE1-NE2 3.29Å; H886-Q890 WeakPolarHBondContact O-CB 3.16Å; H886-Q890 WeakPolarHBondContact O-CG 3.47Å; H886-Q890 PolarHBondContact O-N 2.68Å
887D45.6Very low51.2Low100 Ų100109.6 Ų109.654%0.53555%0.55SS..Hα-helixtrans-67.5-42.1175.2-76.4-15.4000112.3D883 M884 Q890 Y891D883-D887 PolarHBondContact O-N 3.38Å; M884-D887 PolarHBondContact O-N 2.95Å; D887-Q890 PolarHBondContact O-N 3.09Å; D887-Y891 WeakPolarHBondContact O-CB 3.34Å; D887-Y891 PolarHBondContact O-N 3.12Å
888V50.5Low50.6Low75 Ų75112.9 Ų112.946%0.45557%0.569SS.*Hα-helixtrans-67-38.7174.8171.50000111M884 Y891 L892M884-V888 HydrophobicContact CG-CG2 4.47Å; M884-V888 WeakPolarHBondContact O-CB 3.44Å; M884-V888 VanDerWaalsContact O-CG2 3.24Å; M884-V888 WeakPolarHBondContact O-CG2 3.44Å; M884-V888 PolarHBondContact O-N 3.31Å; V888-Y891 PolarHBondContact O-N 2.79Å; V888-L892 HydrophobicContact CG1-CD1 3.86Å; V888-L892 HydrophobicContact CG1-CG 4.4Å; V888-L892 WeakPolarHBondContact O-CB 3.46Å; V888-L892 WeakPolarHBondContact O-CG 3.39Å; V888-L892 PolarHBondContact O-N 2.89Å
889A48.8Very low50.2Low50 Ų50114.5 Ų114.541%0.41358%0.577SS.*Hα-helixtrans-67.9-33.917500000112.3M885 H886 R893M885-A889 WeakPolarHBondContact O-CB 3.5Å; M885-A889 PolarHBondContact O-N 3.09Å; H886-A889 PolarHBondContact O-N 3.25Å; A889-R893 WeakPolarHBondContact O-CB 3.47Å; A889-R893 WeakPolarHBondContact O-CG 3.36Å; A889-R893 PolarHBondContact O-N 3.14Å; A889-R893 VanDerWaalsContact O-N 3.16Å
890Q55.5Low49.9Very low111 Ų111118.7 Ų118.752%0.51959%0.587SS.*Hα-helixtrans-69.6-36.6170.3-80-169.52.800112.3H886 D887 R893 K894H886-Q890 PolarHBondContact CE1-NE2 3.49Å; H886-Q890 VanDerWaalsContact CE1-NE2 3.29Å; H886-Q890 WeakPolarHBondContact O-CB 3.16Å; H886-Q890 WeakPolarHBondContact O-CG 3.47Å; H886-Q890 PolarHBondContact O-N 2.68Å; D887-Q890 PolarHBondContact O-N 3.09Å; Q890-R893 PolarHBondContact O-N 3.31Å; Q890-K894 PolarHBondContact O-N 3.16Å
891Y62.2Low49.6Very low185 Ų185123 Ų12373%0.72560%0.595SS**Hα-helixtrans-68.6-39.9176.6-168.6-94.3000112D887 V888 R893 K894D887-Y891 WeakPolarHBondContact O-CB 3.34Å; D887-Y891 PolarHBondContact O-N 3.12Å; V888-Y891 PolarHBondContact O-N 2.79Å; Y891-R893 VanDerWaalsContact C-N 3.28Å; Y891-R893 PolarHBondContact O-N 3.25Å; Y891-K894 PolarHBondContact O-N 2.91Å; Y891-K894 VanDerWaalsContact O-OXT 3.12Å
892L53.9Low49.7Very low134 Ų134129.3 Ų129.370%0.70262%0.624SS**Hα-helixtrans-75.2-13.6175.5-71.5168.5000113.8V888V888-L892 HydrophobicContact CG1-CD1 3.86Å; V888-L892 HydrophobicContact CG1-CG 4.4Å; V888-L892 WeakPolarHBondContact O-CB 3.46Å; V888-L892 WeakPolarHBondContact O-CG 3.39Å; V888-L892 PolarHBondContact O-N 2.89Å
893R49.5Very low49.6Very low228 Ų228132.7 Ų132.786%0.8663%0.631SS**THydrogen-bonded Turntrans-87.3-7.7171-86-176.1179.4-171.81.9113.3A889 Q890 Y891A889-R893 WeakPolarHBondContact O-CB 3.47Å; A889-R893 WeakPolarHBondContact O-CG 3.36Å; A889-R893 PolarHBondContact O-N 3.14Å; A889-R893 VanDerWaalsContact O-N 3.16Å; Q890-R893 PolarHBondContact O-N 3.31Å; Y891-R893 VanDerWaalsContact C-N 3.28Å; Y891-R893 PolarHBondContact O-N 3.25Å
894K40.4Very low49.7Very low239 Ų239135.4 Ų135.4100%1.03964%0.639SS**  trans-97.20166.4-75.7-177.2176.1177.40109.4Q890 Y891Q890-K894 PolarHBondContact O-N 3.16Å; Y891-K894 PolarHBondContact O-N 2.91Å; Y891-K894 VanDerWaalsContact O-OXT 3.12Å

Retrieved 894 of 894 residues in 1673.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).