A0A3Q0KP54_SCHMA Loading...

Sodium-and chloride-dependent glycine transporter 2 AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KP54, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 749 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.3Very low37.8Very low239 Ų239156.1 Ų156.1100%1.17782%0.815SS**  098.80-76.8179.9174.500108.4R3M1-R3 PolarHBondContact O-N 3.02Å
2N34.7Very low38.7Very low164 Ų164152.6 Ų152.688%0.87781%0.805SS**  trans-66.2110.6-180-80.4-12.6000109.6N4N2-N4 PolarHBondContact O-N 3.13Å
3R37.5Very low39.7Very low244 Ų244150.9 Ų150.992%0.92179%0.79SS**  trans-77.3108.2165.9-86.5-175.8-179.8173.51.2107.9M1M1-R3 PolarHBondContact O-N 3.02Å
4N40.2Very low40.9Very low139 Ų139146.1 Ų146.174%0.74377%0.772SS**  trans-27.9127.9172.5-60.4-18.7000113.7N2 I6N2-N4 PolarHBondContact O-N 3.13Å; N4-I6 PolarHBondContact O-N 3.14Å; N4-I6 VanDerWaalsContact O-N 3.09Å
5S37.7Very low42.4Very low105 Ų105149.3 Ų149.373%0.73478%0.777SS**  trans-47.2107.7157.744.80000109.7D7S5-D7 PolarHBondContact O-N 3.07Å
6I37.9Very low44.1Very low141 Ų141142.8 Ų142.872%0.72375%0.748SS**  trans-74.2106.1167.9-63.8170.8000105.9N4 Y8N4-I6 PolarHBondContact O-N 3.14Å; N4-I6 VanDerWaalsContact O-N 3.09Å; I6-Y8 WeakPolarHBondContact O-CD2 3.25Å; I6-Y8 PolarHBondContact O-N 2.82Å; I6-Y8 VanDerWaalsContact O-N 3.16Å
7D34Very low46Very low134 Ų134139.4 Ų139.472%0.71773%0.727SS**  trans-58.8113171.4-77.2-38.2000109.9S5 S9S5-D7 PolarHBondContact O-N 3.07Å; D7-S9 PolarHBondContact O-N 2.95Å
8Y37Very low48.2Very low222 Ų222131.8 Ų131.887%0.87169%0.688SS**  trans-79.118.8178.2-91.6-83.3000113.8I6I6-Y8 WeakPolarHBondContact O-CD2 3.25Å; I6-Y8 PolarHBondContact O-N 2.82Å; I6-Y8 VanDerWaalsContact O-N 3.16Å
9S37.3Very low50.1Low99 Ų99126.8 Ų126.869%0.69267%0.665SS**SBendtrans-92.2-1.1-166.954.80000116.5D7D7-S9 PolarHBondContact O-N 2.95Å
10T37.9Very low51.8Low114 Ų114124.5 Ų124.570%0.69965%0.653SS**  trans-14082.9169.859.30000112.1V12T10-V12 PolarHBondContact O-N 2.89Å
11S43.5Very low53.5Low116 Ų116123.5 Ų123.581%0.81165%0.646SS**  trans-65.786.715759.90000107.7E13S11-E13 PolarHBondContact O-N 2.9Å
12V48.1Very low55.9Low114 Ų114112.6 Ų112.669%0.69159%0.592SS**  trans-57109.4173.1177.90000106.4T10 P14T10-V12 PolarHBondContact O-N 2.89Å; V12-P14 WeakPolarHBondContact O-CD 3.24Å; V12-P14 VanDerWaalsContact O-N 3.15Å
13E51.9Low58.3Low131 Ų131104.8 Ų104.861%0.61255%0.551SS**PPolyproline II helixtrans-54.6123.9174.3-74.7-170.3163.700107.7S11 K15 G313S11-E13 PolarHBondContact O-N 2.9Å; E13-K15 PolarHBondContact O-N 2.72Å; E13-G313 WeakPolarHBondContact OE2-CA 3.33Å
14P56.4Low60.8Low84 Ų8494.8 Ų94.855%0.54552%0.518SS..PPolyproline II helixtrans-58.4119.2-177.912.9-23.4000109.7V12 R77V12-P14 WeakPolarHBondContact O-CD 3.24Å; V12-P14 VanDerWaalsContact O-N 3.15Å; P14-R77 VanDerWaalsContact CB-NH1 3.33Å; P14-R77 PolarHBondContact O-NH1 3.31Å; P14-R77 PolarHBondContact O-NH2 3.29Å
15K64Low63.4Low194 Ų19488.9 Ų88.984%0.84349%0.486SS*.PPolyproline II helixtrans-48.7139.6-176.4-71.7-177.9179178.70110.8E13E13-K15 PolarHBondContact O-N 2.72Å
16S69.6Low66.1Low45 Ų4583.9 Ų83.932%0.31545%0.452SS..PPolyproline II helixtrans-63.3143.7173.459.40000110.1W18S16-W18 WeakPolarHBondContact CB-O 3.5Å; S16-W18 PolarHBondContact OG-O 3.4Å
17Q76.2Confident68.7Low84 Ų8477.6 Ų77.639%0.39342%0.42SS..SBendtrans-74.5-34.6174.4-65.2-166.86.600110.8L309Q17-L309 HydrophobicContact CB-CD2 4.43Å; Q17-L309 PolarHBondContact N-O 2.88Å
18W84.5Confident71.6Confident3 Ų371.2 Ų71.21%0.01139%0.386CS..SBendtrans-110.7147.9179.6-70.2-5.4000113.7S16 Q22 L26 P215 F218 I306 L309 V310 L401S16-W18 WeakPolarHBondContact CB-O 3.5Å; S16-W18 PolarHBondContact OG-O 3.4Å; W18-Q22 HydrophobicContact CB-CB 4.29Å; W18-Q22 HydrophobicContact CG-CB 4.47Å; W18-L26 HydrophobicContact CH2-CD1 4.11Å; W18-L26 HydrophobicContact CZ3-CD1 4.14Å; W18-L26 HydrophobicContact CZ3-CD2 3.81Å; W18-P215 HydrophobicContact CZ2-CB 4.38Å; W18-P215 PolarHBondContact NE1-O 3.11Å; W18-F218 HydrophobicContact CH2-CD1 4.28Å; W18-F218 HydrophobicContact CH2-CE1 4.39Å; W18-F218 AromaticContact CZ2-CD1 3.92Å; W18-F218 HydrophobicContact CZ2-CD1 3.92Å; W18-F218 HydrophobicContact CZ2-CE1 4.47Å; W18-I306 HydrophobicContact CZ3-CG1 4.4Å; W18-L309 HydrophobicContact CD2-CB 3.85Å; W18-L309 HydrophobicContact CD2-CD1 4.09Å; W18-L309 HydrophobicContact CE3-CB 3.96Å; W18-L309 HydrophobicContact CE3-CD1 4.16Å; W18-L309 HydrophobicContact CG-CB 4.19Å; W18-L309 HydrophobicContact CH2-CD1 3.51Å; W18-L309 HydrophobicContact CZ2-CD1 3.42Å; W18-L309 VanDerWaalsContact CZ2-CD1 3.42Å; W18-L309 HydrophobicContact CZ3-CB 4.42Å; W18-L309 HydrophobicContact CZ3-CD1 3.88Å; W18-L309 PolarHBondContact N-O 3.44Å; W18-V310 HydrophobicContact CB-CG2 3.95Å; W18-V310 HydrophobicContact CE3-CG2 3.89Å; W18-L401 HydrophobicContact CH2-CD2 4.16Å; W18-L401 HydrophobicContact CZ2-CD2 3.96Å
19S85.2Confident74.4Confident38 Ų3860.6 Ų60.627%0.26634%0.344SS..  trans-87.4166.3171.676.30000111.5M21 Q22 A23 Y223S19-M21 PolarHBondContact O-N 2.67Å; S19-M21 PolarHBondContact OG-N 3.36Å; S19-Q22 PolarHBondContact O-N 2.87Å; S19-Q22 WeakPolarHBondContact OG-CG 3.46Å; S19-Q22 PolarHBondContact OG-N 2.78Å; S19-Q22 VanDerWaalsContact OG-N 3.12Å; S19-A23 PolarHBondContact O-N 2.73Å; S19-A23 VanDerWaalsContact O-N 3.1Å; S19-Y223 PolarHBondContact OG-OH 3.33Å
20L84.5Confident77.2Confident80 Ų8056 Ų5642%0.41931%0.311SS..Hα-helixtrans-62.2-34.8173.6-169.566.9000111.9A23 S24 M316 P323L20-A23 WeakPolarHBondContact O-CB 3.38Å; L20-A23 PolarHBondContact O-N 2.99Å; L20-S24 PolarHBondContact O-N 2.86Å; L20-S24 PolarHBondContact O-OG 2.83Å; L20-M316 HydrophobicContact CB-CE 3.77Å; L20-M316 HydrophobicContact CB-SD 4.15Å; L20-M316 HydrophobicContact CD1-CE 4.35Å; L20-M316 HydrophobicContact CD1-SD 3.65Å; L20-M316 HydrophobicContact CG-SD 4.48Å; L20-P323 HydrophobicContact CD1-CG 3.93Å; L20-P323 HydrophobicContact CG-CG 4.39Å
21M86.4Confident79.9Confident103 Ų10350.7 Ų50.751%0.50728%0.279SS..Hα-helixtrans-68-37.5177.9-173.462.1176.400111.7S19 A23 S24 L25 Y223S19-M21 PolarHBondContact O-N 2.67Å; S19-M21 PolarHBondContact OG-N 3.36Å; M21-A23 VanDerWaalsContact C-N 3.31Å; M21-S24 WeakPolarHBondContact CA-OG 3.47Å; M21-S24 PolarHBondContact O-N 3.3Å; M21-S24 PolarHBondContact O-OG 3.24Å; M21-L25 HydrophobicContact CE-CD1 4.17Å; M21-L25 HydrophobicContact CE-CD2 4.29Å; M21-L25 HydrophobicContact CE-CG 4.21Å; M21-L25 HydrophobicContact CG-CD1 4.22Å; M21-L25 WeakPolarHBondContact O-CB 3.36Å; M21-L25 VanDerWaalsContact O-CG 3.26Å; M21-L25 WeakPolarHBondContact O-CG 3.34Å; M21-L25 PolarHBondContact O-N 2.97Å; M21-Y223 HydrophobicContact CB-CE1 4.05Å; M21-Y223 HydrophobicContact CG-CD1 4.3Å; M21-Y223 HydrophobicContact CG-CE1 3.59Å
22Q88.9Confident82.3Confident11 Ų1145.6 Ų45.65%0.05124%0.243CC..Hα-helixtrans-65.2-39172.5-73.3169.7-28.900111.2W18 S19 L25 L26 G219 Y223W18-Q22 HydrophobicContact CB-CB 4.29Å; W18-Q22 HydrophobicContact CG-CB 4.47Å; S19-Q22 PolarHBondContact O-N 2.87Å; S19-Q22 WeakPolarHBondContact OG-CG 3.46Å; S19-Q22 PolarHBondContact OG-N 2.78Å; S19-Q22 VanDerWaalsContact OG-N 3.12Å; Q22-L25 PolarHBondContact O-N 2.82Å; Q22-L26 WeakPolarHBondContact O-CB 3.19Å; Q22-L26 PolarHBondContact O-N 2.88Å; Q22-G219 WeakPolarHBondContact CG-O 3.48Å; Q22-G219 PolarHBondContact NE2-O 3.24Å; Q22-Y223 HydrophobicContact CG-CE1 4.31Å; Q22-Y223 HydrophobicContact CG-CE2 3.71Å; Q22-Y223 VanDerWaalsContact NE2-CE2 3.32Å
23A86.2Confident84.5Confident0 Ų040.5 Ų40.50%021%0.212CC..Hα-helixtrans-62.9-42.917400000111.9S19 L20 M21 L26 V310 V324S19-A23 PolarHBondContact O-N 2.73Å; S19-A23 VanDerWaalsContact O-N 3.1Å; L20-A23 WeakPolarHBondContact O-CB 3.38Å; L20-A23 PolarHBondContact O-N 2.99Å; M21-A23 VanDerWaalsContact C-N 3.31Å; A23-L26 VanDerWaalsContact O-CB 3.28Å; A23-L26 WeakPolarHBondContact O-CB 3.23Å; A23-L26 PolarHBondContact O-N 2.93Å; A23-V310 HydrophobicContact CB-CG2 4.37Å; A23-V324 HydrophobicContact CB-CG2 4.17Å; A23-V324 WeakPolarHBondContact O-CG2 3.46Å
24S89.4Confident86.4Confident33 Ų3335.4 Ų35.423%0.23119%0.19CC..Hα-helixtrans-66-40.6176.157.40000112.5L20 M21 L26 S27L20-S24 PolarHBondContact O-N 2.86Å; L20-S24 PolarHBondContact O-OG 2.83Å; M21-S24 WeakPolarHBondContact CA-OG 3.47Å; M21-S24 PolarHBondContact O-N 3.3Å; M21-S24 PolarHBondContact O-OG 3.24Å; S24-L26 PolarHBondContact O-N 2.87Å; S24-S27 VanDerWaalsContact O-CB 3.27Å; S24-S27 WeakPolarHBondContact O-CB 3.17Å; S24-S27 PolarHBondContact O-N 3.18Å; S24-S27 PolarHBondContact O-OG 3.42Å
25L94.2Very high88.2Confident16 Ų1631.4 Ų31.48%0.08416%0.164CC..Hα-helixtrans-69.1-22178.7-71.4173.8000113.4M21 Q22 S27 S28 L222 Y223 S226 P227M21-L25 HydrophobicContact CE-CD1 4.17Å; M21-L25 HydrophobicContact CE-CD2 4.29Å; M21-L25 HydrophobicContact CE-CG 4.21Å; M21-L25 HydrophobicContact CG-CD1 4.22Å; M21-L25 WeakPolarHBondContact O-CB 3.36Å; M21-L25 VanDerWaalsContact O-CG 3.26Å; M21-L25 WeakPolarHBondContact O-CG 3.34Å; M21-L25 PolarHBondContact O-N 2.97Å; Q22-L25 PolarHBondContact O-N 2.82Å; L25-S27 PolarHBondContact O-N 3.24Å; L25-S28 PolarHBondContact O-N 2.04Å; L25-S28 PolarHBondContact O-OG 3.1Å; L25-L222 HydrophobicContact CB-CB 4.4Å; L25-Y223 HydrophobicContact CD1-CD1 3.57Å; L25-Y223 HydrophobicContact CD1-CE1 4.12Å; L25-Y223 HydrophobicContact CD1-CG 4.26Å; L25-S226 PolarHBondContact O-OG 2.94Å; L25-P227 HydrophobicContact CD2-CG 3.89Å
26L94.1Very high89.7Confident0 Ų022.2 Ų22.20%012%0.124CC..G310 helixtrans-63.9-18.4173.2-165.172.9000112.9W18 Q22 A23 S24 S28 C29 F30 F218 L222 I306 L398W18-L26 HydrophobicContact CH2-CD1 4.11Å; W18-L26 HydrophobicContact CZ3-CD1 4.14Å; W18-L26 HydrophobicContact CZ3-CD2 3.81Å; Q22-L26 WeakPolarHBondContact O-CB 3.19Å; Q22-L26 PolarHBondContact O-N 2.88Å; A23-L26 VanDerWaalsContact O-CB 3.28Å; A23-L26 WeakPolarHBondContact O-CB 3.23Å; A23-L26 PolarHBondContact O-N 2.93Å; S24-L26 PolarHBondContact O-N 2.87Å; L26-S28 PolarHBondContact O-N 3.03Å; L26-S28 VanDerWaalsContact O-N 3.15Å; L26-C29 HydrophobicContact CD1-CB 4.35Å; L26-C29 VanDerWaalsContact O-CB 3.31Å; L26-C29 WeakPolarHBondContact O-CB 3.09Å; L26-C29 PolarHBondContact O-N 3.02Å; L26-F30 HydrophobicContact CD2-CE2 4.48Å; L26-F30 HydrophobicContact CG-CE2 4.31Å; L26-F30 WeakPolarHBondContact O-CD2 3.38Å; L26-F218 HydrophobicContact CD1-CE1 4.05Å; L26-L222 HydrophobicContact CD1-CD1 3.84Å; L26-I306 HydrophobicContact CD2-CB 4.48Å; L26-I306 HydrophobicContact CD2-CD1 3.31Å; L26-I306 HydrophobicContact CD2-CG1 3.54Å; L26-I306 HydrophobicContact CD2-CG2 4.07Å; L26-L398 HydrophobicContact CD1-CD1 3.95Å; L26-L398 HydrophobicContact CD1-CD2 4.04Å; L26-L398 HydrophobicContact CG-CD2 4.24Å
27S93.8Very high90.8Very high8 Ų820.3 Ų20.36%0.05611%0.111CC..G310 helixtrans-54-32.1176.156.40000113.4S24 L25 C29 F30S24-S27 VanDerWaalsContact O-CB 3.27Å; S24-S27 WeakPolarHBondContact O-CB 3.17Å; S24-S27 PolarHBondContact O-N 3.18Å; S24-S27 PolarHBondContact O-OG 3.42Å; L25-S27 PolarHBondContact O-N 3.24Å; S27-C29 VanDerWaalsContact C-N 3.31Å; S27-C29 PolarHBondContact O-N 2.71Å; S27-F30 PolarHBondContact O-N 3.47Å
28S94.7Very high91.5Very high0 Ų016.8 Ų16.80%09%0.094CC..G310 helixtrans-66.5-30.8177610000113L25 L26 F30 V31 S226 F391L25-S28 PolarHBondContact O-N 2.04Å; L25-S28 PolarHBondContact O-OG 3.1Å; L26-S28 PolarHBondContact O-N 3.03Å; L26-S28 VanDerWaalsContact O-N 3.15Å; S28-F30 PolarHBondContact O-N 3.49Å; S28-F30 VanDerWaalsContact O-N 3.1Å; S28-V31 PolarHBondContact O-N 3.15Å; S28-V31 VanDerWaalsContact O-N 3.09Å; S28-S226 VanDerWaalsContact CB-OG 3.3Å; S28-S226 WeakPolarHBondContact CB-OG 2.99Å; S28-S226 VanDerWaalsContact OG-CB 3.27Å; S28-S226 WeakPolarHBondContact OG-CB 3.36Å; S28-S226 PolarHBondContact OG-OG 3.41Å; S28-F391 VanDerWaalsContact O-CD1 3.3Å; S28-F391 WeakPolarHBondContact O-CD1 3.49Å
29C95.3Very high91.9Very high0 Ų016.6 Ų16.60%09%0.093CC..G310 helixtrans-64.7-15177.9-620000113.3L26 S27 L394 N395 L398L26-C29 HydrophobicContact CD1-CB 4.35Å; L26-C29 VanDerWaalsContact O-CB 3.31Å; L26-C29 WeakPolarHBondContact O-CB 3.09Å; L26-C29 PolarHBondContact O-N 3.02Å; S27-C29 VanDerWaalsContact C-N 3.31Å; S27-C29 PolarHBondContact O-N 2.71Å; C29-L394 HydrophobicContact CB-CB 4.49Å; C29-N395 VanDerWaalsContact O-CA 3.28Å; C29-N395 WeakPolarHBondContact O-CA 3.31Å; C29-N395 WeakPolarHBondContact O-CB 3.26Å; C29-N395 PolarHBondContact O-OD1 3.3Å; C29-L398 HydrophobicContact CB-CB 4.05Å; C29-L398 HydrophobicContact CB-CD2 3.45Å; C29-L398 VanDerWaalsContact CB-CD2 3.45Å; C29-L398 HydrophobicContact CB-CG 4.38Å
30F95.5Very high92.2Very high1 Ų114.8 Ų14.80%0.0048%0.081CC..G310 helixtrans-89.4-2.4177.3-60.9-79.2000113.5L26 S27 S28 S32 Y296 N297 V302 Y303 I306 V324 L398L26-F30 HydrophobicContact CD2-CE2 4.48Å; L26-F30 HydrophobicContact CG-CE2 4.31Å; L26-F30 WeakPolarHBondContact O-CD2 3.38Å; S27-F30 PolarHBondContact O-N 3.47Å; S28-F30 PolarHBondContact O-N 3.49Å; S28-F30 VanDerWaalsContact O-N 3.1Å; F30-S32 PolarHBondContact O-N 3.32Å; F30-S32 VanDerWaalsContact O-N 3.16Å; F30-Y296 HydrophobicContact CB-CD1 3.76Å; F30-Y296 HydrophobicContact CB-CE1 4.2Å; F30-Y296 HydrophobicContact CD1-CD1 4.48Å; F30-Y296 VanDerWaalsContact CD1-O 3.23Å; F30-Y296 WeakPolarHBondContact CD1-O 3.43Å; F30-Y296 VanDerWaalsContact CE1-O 3.23Å; F30-Y296 WeakPolarHBondContact CE1-O 3.4Å; F30-Y296 HydrophobicContact CG-CD1 4.24Å; F30-N297 HydrophobicContact CD1-CB 4.38Å; F30-N297 HydrophobicContact CE1-CB 4.27Å; F30-V302 HydrophobicContact CE1-CG1 4.09Å; F30-V302 HydrophobicContact CZ-CG1 4.27Å; F30-Y303 HydrophobicContact CE1-CE2 4.1Å; F30-Y303 AromaticContact CE1-CZ 3.94Å; F30-Y303 HydrophobicContact CZ-CE1 4.22Å; F30-Y303 HydrophobicContact CZ-CE2 4.45Å; F30-Y303 AromaticContact CZ-CZ 3.93Å; F30-I306 HydrophobicContact CZ-CD1 3.84Å; F30-V324 HydrophobicContact CD2-CG1 4.31Å; F30-V324 HydrophobicContact CE2-CG1 3.43Å; F30-V324 VanDerWaalsContact CE2-CG1 3.43Å; F30-V324 HydrophobicContact CZ-CG1 3.96Å; F30-L398 HydrophobicContact CE1-CD2 4.43Å; F30-L398 HydrophobicContact CZ-CD2 4.28Å
31V95.2Very high92.3Very high4 Ų411.3 Ų11.32%0.0246%0.063CC..  trans-83.388171.9-171.30000108.3S28 M35 F36 L331 P335 F391S28-V31 PolarHBondContact O-N 3.15Å; S28-V31 VanDerWaalsContact O-N 3.09Å; V31-M35 HydrophobicContact CG1-CB 4.41Å; V31-F36 HydrophobicContact CG1-CD2 4.39Å; V31-F36 HydrophobicContact CG1-CE2 3.61Å; V31-F36 HydrophobicContact CG1-CZ 4.15Å; V31-L331 HydrophobicContact CG2-CB 3.86Å; V31-P335 HydrophobicContact CG1-CG 3.69Å; V31-F391 HydrophobicContact CB-CB 4.46Å; V31-F391 HydrophobicContact CB-CD1 3.6Å; V31-F391 HydrophobicContact CB-CE1 4Å; V31-F391 HydrophobicContact CB-CG 4.16Å; V31-F391 HydrophobicContact CG1-CD1 4.16Å; V31-F391 HydrophobicContact CG1-CG 4.29Å; V31-F391 HydrophobicContact CG2-CD1 3.97Å; V31-F391 HydrophobicContact CG2-CE1 3.84Å
32S93.6Very high92.4Very high8 Ų86.5 Ų6.56%0.0564%0.039CC..  trans-90.7172.6179.953.20000112.7F30 T34 M35 S295F30-S32 PolarHBondContact O-N 3.32Å; F30-S32 VanDerWaalsContact O-N 3.16Å; S32-T34 PolarHBondContact O-N 3.08Å; S32-T34 PolarHBondContact OG-OG1 2.78Å; S32-M35 WeakPolarHBondContact O-CB 3.5Å; S32-M35 PolarHBondContact O-N 2.73Å; S32-S295 WeakPolarHBondContact OG-CA 3.4Å; S32-S295 VanDerWaalsContact OG-CB 3.31Å; S32-S295 WeakPolarHBondContact OG-CB 3.42Å; S32-S295 PolarHBondContact OG-OG 2.89Å
33M94.3Very high92.4Very high8 Ų86 Ų64%0.0394%0.036CC..Hα-helixtrans-54.9-39176.2-17262.7179.600112.8M35 F36 S37 F112 W360 P363 F364 L392M33-M35 PolarHBondContact O-N 3.21Å; M33-M35 VanDerWaalsContact O-N 3.17Å; M33-F36 WeakPolarHBondContact O-CA 3.01Å; M33-F36 WeakPolarHBondContact O-CB 3.02Å; M33-F36 PolarHBondContact O-N 3.1Å; M33-S37 PolarHBondContact O-N 3Å; M33-S37 PolarHBondContact O-OG 3.11Å; M33-F112 HydrophobicContact CB-CD2 3.63Å; M33-F112 HydrophobicContact CB-CE2 4.04Å; M33-F112 HydrophobicContact CB-CG 4.38Å; M33-F112 HydrophobicContact CG-CB 4.37Å; M33-F112 HydrophobicContact CG-CD2 3.48Å; M33-F112 VanDerWaalsContact CG-CD2 3.48Å; M33-F112 HydrophobicContact CG-CE2 3.75Å; M33-F112 HydrophobicContact CG-CG 3.91Å; M33-F112 HydrophobicContact CG-CZ 4.43Å; M33-F112 HydrophobicContact SD-CB 4.44Å; M33-F112 HydrophobicContact SD-CG 4.46Å; M33-W360 HydrophobicContact CE-CB 4.32Å; M33-W360 WeakPolarHBondContact CE-O 3.11Å; M33-P363 HydrophobicContact CE-CG 3.41Å; M33-P363 VanDerWaalsContact CE-CG 3.41Å; M33-P363 HydrophobicContact SD-CG 4.33Å; M33-F364 HydrophobicContact CE-CD2 4.12Å; M33-F364 HydrophobicContact CE-CE2 3.44Å; M33-F364 VanDerWaalsContact CE-CE2 3.44Å; M33-F364 HydrophobicContact CE-CZ 4.14Å; M33-L392 HydrophobicContact CB-CD2 3.75Å; M33-L392 HydrophobicContact SD-CD1 4.43Å; M33-L392 HydrophobicContact SD-CD2 4.31Å
34T93Very high92.4Very high24 Ų247 Ų715%0.1474%0.04CC..Hα-helixtrans-56.2-29.7176.146.40000113.4S32 K38 Y39 S295S32-T34 PolarHBondContact O-N 3.08Å; S32-T34 PolarHBondContact OG-OG1 2.78Å; T34-K38 HydrophobicContact CG2-CD 4.37Å; T34-K38 PolarHBondContact O-N 3.49Å; T34-Y39 PolarHBondContact O-N 3.35Å; T34-S295 WeakPolarHBondContact CB-OG 3.19Å; T34-S295 PolarHBondContact OG1-OG 3.3Å
35M94.3Very high92Very high0 Ų05.6 Ų5.60%03%0.03CC..Hα-helixtrans-74.9-26.4174.2-69-69.8-161.900112.8V31 S32 M33 Y39 P40 L292 Y296 P335V31-M35 HydrophobicContact CG1-CB 4.41Å; S32-M35 WeakPolarHBondContact O-CB 3.5Å; S32-M35 PolarHBondContact O-N 2.73Å; M33-M35 PolarHBondContact O-N 3.21Å; M33-M35 VanDerWaalsContact O-N 3.17Å; M35-Y39 HydrophobicContact SD-CD1 3.68Å; M35-Y39 HydrophobicContact SD-CE1 4.35Å; M35-Y39 HydrophobicContact SD-CG 4.12Å; M35-P40 VanDerWaalsContact O-CD 3.28Å; M35-P40 WeakPolarHBondContact O-CD 3.42Å; M35-L292 HydrophobicContact CE-CD2 3.51Å; M35-L292 HydrophobicContact SD-CD2 3.99Å; M35-Y296 HydrophobicContact CE-CD2 4.1Å; M35-Y296 HydrophobicContact CE-CE1 4.04Å; M35-Y296 HydrophobicContact CE-CE2 3.43Å; M35-Y296 VanDerWaalsContact CE-CE2 3.43Å; M35-Y296 WeakPolarHBondContact CE-OH 3.48Å; M35-P335 HydrophobicContact CB-CG 4.3Å; M35-P335 WeakPolarHBondContact O-CB 3.22Å
36F94.7Very high91.3Very high1 Ų14.9 Ų4.90%0.0043%0.026CC..Hα-helixtrans-84.9-30.1175.5-75.3-89.1000113.2V31 M33 L233 P335 P363 L388 F391V31-F36 HydrophobicContact CG1-CD2 4.39Å; V31-F36 HydrophobicContact CG1-CE2 3.61Å; V31-F36 HydrophobicContact CG1-CZ 4.15Å; M33-F36 WeakPolarHBondContact O-CA 3.01Å; M33-F36 WeakPolarHBondContact O-CB 3.02Å; M33-F36 PolarHBondContact O-N 3.1Å; F36-L233 HydrophobicContact CE1-CD1 3.78Å; F36-L233 HydrophobicContact CZ-CD1 3.44Å; F36-L233 VanDerWaalsContact CZ-CD1 3.44Å; F36-P335 HydrophobicContact CB-CB 4.48Å; F36-P335 HydrophobicContact CD1-CB 3.62Å; F36-P335 HydrophobicContact CD1-CG 4.12Å; F36-P335 HydrophobicContact CD2-CB 4.29Å; F36-P335 HydrophobicContact CD2-CG 4.16Å; F36-P335 HydrophobicContact CE1-CB 3.77Å; F36-P335 HydrophobicContact CE1-CG 3.86Å; F36-P335 HydrophobicContact CE2-CB 4.44Å; F36-P335 HydrophobicContact CE2-CG 3.93Å; F36-P335 HydrophobicContact CG-CB 3.88Å; F36-P335 HydrophobicContact CG-CG 4.24Å; F36-P335 HydrophobicContact CZ-CB 4.18Å; F36-P335 HydrophobicContact CZ-CG 3.75Å; F36-P363 HydrophobicContact CB-CB 4.03Å; F36-P363 HydrophobicContact CB-CG 4.08Å; F36-L388 HydrophobicContact CB-CD1 4.46Å; F36-L388 HydrophobicContact CD1-CD1 3.74Å; F36-L388 HydrophobicContact CD2-CD1 3.6Å; F36-L388 HydrophobicContact CE1-CD1 3.78Å; F36-L388 HydrophobicContact CE2-CD1 3.62Å; F36-L388 HydrophobicContact CG-CD1 3.67Å; F36-L388 HydrophobicContact CZ-CD1 3.73Å; F36-F391 HydrophobicContact CE2-CB 4.46Å; F36-F391 HydrophobicContact CZ-CD2 4.49Å
37S92.5Very high90.7Very high4 Ų45.1 Ų5.13%0.0283%0.028CC..THydrogen-bonded Turntrans-104.1-68.1-17550.60000113.6M33 P40 D359M33-S37 PolarHBondContact O-N 3Å; M33-S37 PolarHBondContact O-OG 3.11Å; S37-P40 WeakPolarHBondContact O-CD 3.43Å; S37-D359 WeakPolarHBondContact CB-O 3.34Å
38K91.3Very high90.2Very high10 Ų104.8 Ų4.84%0.0433%0.026CC..Hα-helixtrans-75.1-39.9-169.2-58.6-168.8-176-176.20112.5T34 L41 D42 D457 D461T34-K38 HydrophobicContact CG2-CD 4.37Å; T34-K38 PolarHBondContact O-N 3.49Å; K38-L41 WeakPolarHBondContact O-CB 3.19Å; K38-L41 PolarHBondContact O-N 3.35Å; K38-L41 VanDerWaalsContact O-N 3.15Å; K38-D42 PolarHBondContact O-N 3.05Å; K38-D457 WeakPolarHBondContact CE-OD1 3.29Å; K38-D457 WeakPolarHBondContact CE-OD2 3.35Å; K38-D457 IonicContact NZ-OD1 3.43Å; K38-D457 PolarHBondContact NZ-OD1 3.39Å; K38-D457 IonicContact NZ-OD2 3.27Å; K38-D457 PolarHBondContact NZ-OD2 3.38Å; K38-D461 IonicContact NZ-OD2 3.76Å; K38-D461 PolarHBondContact NZ-OD2 3.06Å
39Y91.9Very high89.9Confident0 Ų08.1 Ų8.10%04%0.039CC..Hα-helixtrans-66.3-40.3-176.6-176.4-136.2000114T34 M35 L41 D42 Q43 F54 T288 L292 Q333 V336T34-Y39 PolarHBondContact O-N 3.35Å; M35-Y39 HydrophobicContact SD-CD1 3.68Å; M35-Y39 HydrophobicContact SD-CE1 4.35Å; M35-Y39 HydrophobicContact SD-CG 4.12Å; Y39-L41 VanDerWaalsContact C-N 3.29Å; Y39-L41 PolarHBondContact O-N 3.2Å; Y39-D42 PolarHBondContact O-N 2.95Å; Y39-Q43 HydrophobicContact CD2-CG 4.31Å; Y39-Q43 HydrophobicContact CE2-CG 3.89Å; Y39-Q43 PolarHBondContact O-N 3.06Å; Y39-Q43 PolarHBondContact OH-NE2 2.86Å; Y39-F54 HydrophobicContact CE1-CD2 4.21Å; Y39-F54 HydrophobicContact CE1-CE2 4.39Å; Y39-F54 HydrophobicContact CE2-CD2 4.47Å; Y39-F54 AromaticContact CZ-CD2 3.65Å; Y39-F54 WeakPolarHBondContact OH-CB 3.42Å; Y39-F54 WeakPolarHBondContact OH-CD2 3.25Å; Y39-F54 WeakPolarHBondContact OH-CG 3.41Å; Y39-T288 HydrophobicContact CD2-CG2 4.17Å; Y39-T288 HydrophobicContact CE2-CG2 3.73Å; Y39-L292 HydrophobicContact CD2-CD2 4.22Å; Y39-L292 HydrophobicContact CE1-CD2 4.41Å; Y39-L292 HydrophobicContact CE2-CD2 4.09Å; Y39-L292 HydrophobicContact CG-CD2 4.48Å; Y39-Q333 PolarHBondContact OH-NE2 2.97Å; Y39-V336 HydrophobicContact CD1-CG2 3.17Å; Y39-V336 HydrophobicContact CE1-CG2 3.34Å; Y39-V336 HydrophobicContact CG-CG2 4.05Å
40P91.6Very high89.6Confident0 Ų08.1 Ų8.10%04%0.039CC..Hα-helixtrans-60.6-36.7170-2635000113.2M35 S37 Q43 Y44 V336 M339 L356M35-P40 VanDerWaalsContact O-CD 3.28Å; M35-P40 WeakPolarHBondContact O-CD 3.42Å; S37-P40 WeakPolarHBondContact O-CD 3.43Å; P40-Q43 PolarHBondContact O-N 3.32Å; P40-Y44 WeakPolarHBondContact O-CB 3.46Å; P40-Y44 PolarHBondContact O-N 3.2Å; P40-V336 HydrophobicContact CG-CG2 4.23Å; P40-M339 HydrophobicContact CB-CB 3.88Å; P40-M339 HydrophobicContact CB-CG 4.17Å; P40-M339 HydrophobicContact CG-CB 4.01Å; P40-M339 HydrophobicContact CG-CG 3.87Å; P40-L356 HydrophobicContact CB-CD2 4.14Å
41L88.4Confident89.3Confident7 Ų79.6 Ų9.64%0.0375%0.049CC..Hα-helixtrans-65.3-44.7174.5176.265.8000111.2K38 Y39 Q43 Y44 L45 L356K38-L41 WeakPolarHBondContact O-CB 3.19Å; K38-L41 PolarHBondContact O-N 3.35Å; K38-L41 VanDerWaalsContact O-N 3.15Å; Y39-L41 VanDerWaalsContact C-N 3.29Å; Y39-L41 PolarHBondContact O-N 3.2Å; L41-Q43 VanDerWaalsContact C-N 3.28Å; L41-Q43 PolarHBondContact O-N 3.05Å; L41-Y44 PolarHBondContact O-N 3.46Å; L41-L45 HydrophobicContact CD1-CD1 3.64Å; L41-L45 HydrophobicContact CD1-CG 3.96Å; L41-L45 HydrophobicContact CG-CD1 3.85Å; L41-L45 HydrophobicContact CG-CG 4.45Å; L41-L45 WeakPolarHBondContact O-CB 3.37Å; L41-L45 WeakPolarHBondContact O-CG 2.94Å; L41-L45 PolarHBondContact O-N 3.39Å; L41-L356 HydrophobicContact CB-CB 4.34Å; L41-L356 HydrophobicContact CD1-CB 3.75Å
42D88.2Confident89Confident1 Ų112.4 Ų12.41%0.0056%0.063CC..Hα-helixtrans-59.9-40.3174.6-65.2-38.5000111.5K38 Y39 G46 S50 S287 T288 H291K38-D42 PolarHBondContact O-N 3.05Å; Y39-D42 PolarHBondContact O-N 2.95Å; D42-G46 VanDerWaalsContact O-CA 3.23Å; D42-G46 WeakPolarHBondContact O-CA 2.87Å; D42-G46 PolarHBondContact O-N 3.24Å; D42-S50 PolarHBondContact O-OG 2.76Å; D42-S287 VanDerWaalsContact OD1-CB 3.32Å; D42-S287 WeakPolarHBondContact OD1-CB 3.38Å; D42-S287 PolarHBondContact OD1-OG 2.82Å; D42-T288 WeakPolarHBondContact CB-OG1 3.39Å; D42-H291 IonicContact OD1-CE1 2.96Å; D42-H291 IonicContact OD1-ND1 2.73Å; D42-H291 PolarHBondContact OD1-ND1 3.25Å; D42-H291 IonicContact OD2-CE1 3.41Å; D42-H291 IonicContact OD2-CG 2.79Å; D42-H291 IonicContact OD2-ND1 3.21Å; D42-H291 PolarHBondContact OD2-ND1 3.06Å
43Q88.2Confident89Confident0 Ų012.1 Ų12.10%06%0.061CC..Hα-helixtrans-68.1-36.4176.1-73.8-159.39.100113.3Y39 P40 L41 S47 S50 F258 V336Y39-Q43 HydrophobicContact CD2-CG 4.31Å; Y39-Q43 HydrophobicContact CE2-CG 3.89Å; Y39-Q43 PolarHBondContact O-N 3.06Å; Y39-Q43 PolarHBondContact OH-NE2 2.86Å; P40-Q43 PolarHBondContact O-N 3.32Å; L41-Q43 VanDerWaalsContact C-N 3.28Å; L41-Q43 PolarHBondContact O-N 3.05Å; Q43-S47 WeakPolarHBondContact O-CA 3.5Å; Q43-S47 PolarHBondContact O-N 2.94Å; Q43-S50 WeakPolarHBondContact CA-OG 3.16Å; Q43-F258 HydrophobicContact CB-CD1 3.75Å; Q43-F258 HydrophobicContact CB-CE1 4.24Å; Q43-V336 HydrophobicContact CG-CG1 4.4Å
44Y85.6Confident88.9Confident22 Ų2212.6 Ų12.69%0.0866%0.063CC..Hα-helixtrans-69-41.4176.8-177.8-101000112.3P40 L41 K257 F258 P349 V352 R353P40-Y44 WeakPolarHBondContact O-CB 3.46Å; P40-Y44 PolarHBondContact O-N 3.2Å; L41-Y44 PolarHBondContact O-N 3.46Å; Y44-K257 HydrophobicContact CE2-CB 4.49Å; Y44-K257 HydrophobicContact CE2-CD 4.3Å; Y44-F258 HydrophobicContact CD2-CD2 4.03Å; Y44-F258 AromaticContact CD2-CE2 3.54Å; Y44-F258 HydrophobicContact CD2-CE2 3.54Å; Y44-F258 HydrophobicContact CD2-CZ 4.06Å; Y44-F258 HydrophobicContact CE2-CE2 4.39Å; Y44-F258 HydrophobicContact CG-CE2 4.38Å; Y44-P349 PolarHBondContact OH-O 3.01Å; Y44-V352 HydrophobicContact CD2-CG1 4.12Å; Y44-V352 HydrophobicContact CE1-CG1 4.32Å; Y44-V352 HydrophobicContact CE2-CB 4.27Å; Y44-V352 HydrophobicContact CE2-CG1 3.69Å; Y44-R353 HydrophobicContact CE1-CB 3.89Å; Y44-R353 HydrophobicContact CE1-CG 4.35Å
45L82Confident88.9Confident4 Ų415.9 Ų15.92%0.0218%0.078CC..Hα-helixtrans-83-37.8-178.2-67176.3000112.9L41 I266 W283 R353L41-L45 HydrophobicContact CD1-CD1 3.64Å; L41-L45 HydrophobicContact CD1-CG 3.96Å; L41-L45 HydrophobicContact CG-CD1 3.85Å; L41-L45 HydrophobicContact CG-CG 4.45Å; L41-L45 WeakPolarHBondContact O-CB 3.37Å; L41-L45 WeakPolarHBondContact O-CG 2.94Å; L41-L45 PolarHBondContact O-N 3.39Å; L45-I266 HydrophobicContact CD2-CD1 3.59Å; L45-W283 HydrophobicContact CB-CE3 4.15Å; L45-W283 HydrophobicContact CB-CZ3 3.61Å; L45-W283 HydrophobicContact CD1-CE3 4.32Å; L45-W283 HydrophobicContact CD1-CH2 3.44Å; L45-W283 VanDerWaalsContact CD1-CH2 3.44Å; L45-W283 HydrophobicContact CD1-CZ2 4.49Å; L45-W283 HydrophobicContact CD1-CZ3 3.33Å; L45-W283 HydrophobicContact CG-CZ3 4.11Å; L45-R353 HydrophobicContact CD2-CG 4.05Å
46G79Confident88.8Confident0 Ų019.4 Ų19.40%010%0.096CC..Hα-helixtrans-90.2-24.4-177.700000114D42 G48 W49D42-G46 VanDerWaalsContact O-CA 3.23Å; D42-G46 WeakPolarHBondContact O-CA 2.87Å; D42-G46 PolarHBondContact O-N 3.24Å; G46-G48 PolarHBondContact O-N 2.8Å; G46-W49 WeakPolarHBondContact O-CB 3.36Å; G46-W49 PolarHBondContact O-N 3.16Å
47S82.5Confident88.7Confident5 Ų519.5 Ų19.54%0.03510%0.096CC..THydrogen-bonded Turntrans53.4-117.6177.257.30000112.9Q43 W49 S50 C51 K257 F258 L261Q43-S47 WeakPolarHBondContact O-CA 3.5Å; Q43-S47 PolarHBondContact O-N 2.94Å; S47-W49 VanDerWaalsContact C-N 3.31Å; S47-W49 PolarHBondContact O-N 2.78Å; S47-S50 PolarHBondContact N-OG 2.54Å; S47-S50 VanDerWaalsContact N-OG 3.08Å; S47-S50 PolarHBondContact O-N 3.03Å; S47-S50 PolarHBondContact O-OG 2.79Å; S47-C51 PolarHBondContact O-N 3.09Å; S47-K257 WeakPolarHBondContact CA-O 3.45Å; S47-K257 WeakPolarHBondContact CB-O 3.32Å; S47-F258 CarbonylContact C-O 3.51Å; S47-F258 WeakPolarHBondContact CA-O 3.15Å; S47-L261 WeakPolarHBondContact CB-O 2.97Å; S47-L261 PolarHBondContact OG-O 3.23Å
48G83.3Confident88.7Confident1 Ų119.9 Ų19.91%0.0110%0.098CC..Hα-helixtrans-63.3-31.3177.500000113.9G46 C51 L52 L261G46-G48 PolarHBondContact O-N 2.8Å; G48-C51 PolarHBondContact O-N 3.14Å; G48-L52 WeakPolarHBondContact O-CB 3.48Å; G48-L52 PolarHBondContact O-N 3.32Å; G48-L261 WeakPolarHBondContact CA-O 3.19Å; G48-L261 PolarHBondContact N-O 2.94Å
49W87.4Confident88.7Confident71 Ų7123.4 Ų23.427%0.26912%0.12SC..Hα-helixtrans-67.1-40.8179-75.1109.4000113G46 S47 L52 C53 F262 F285G46-W49 WeakPolarHBondContact O-CB 3.36Å; G46-W49 PolarHBondContact O-N 3.16Å; S47-W49 VanDerWaalsContact C-N 3.31Å; S47-W49 PolarHBondContact O-N 2.78Å; W49-L52 HydrophobicContact CE3-CD2 4.1Å; W49-L52 HydrophobicContact CZ3-CD2 4.04Å; W49-L52 PolarHBondContact O-N 3.47Å; W49-C53 VanDerWaalsContact O-CB 3.32Å; W49-C53 WeakPolarHBondContact O-CB 3.45Å; W49-C53 PolarHBondContact O-N 2.68Å; W49-F262 HydrophobicContact CD2-CD1 4.47Å; W49-F262 PolarHBondContact NE1-O 3.48Å; W49-F285 HydrophobicContact CB-CB 4.23Å; W49-F285 HydrophobicContact CE3-CD2 4.39Å
50S89.3Confident88.6Confident0 Ų028 Ų280%014%0.144CC..Hα-helixtrans-66-38.9173.930.40000111.8D42 Q43 S47 C53 F54 T288D42-S50 PolarHBondContact O-OG 2.76Å; Q43-S50 WeakPolarHBondContact CA-OG 3.16Å; S47-S50 PolarHBondContact N-OG 2.54Å; S47-S50 VanDerWaalsContact N-OG 3.08Å; S47-S50 PolarHBondContact O-N 3.03Å; S47-S50 PolarHBondContact O-OG 2.79Å; S50-C53 WeakPolarHBondContact O-CB 3.37Å; S50-C53 PolarHBondContact O-N 3.07Å; S50-F54 WeakPolarHBondContact O-CB 3.29Å; S50-F54 PolarHBondContact O-N 3.04Å; S50-T288 VanDerWaalsContact CB-OG1 3.23Å; S50-T288 WeakPolarHBondContact CB-OG1 3.42Å
51C88.5Confident88.6Confident32 Ų3228.4 Ų28.422%0.21615%0.145CC..Hα-helixtrans-66.1-44.5175.3-170.70000111.7S47 G48 C53 F54 I55 Y259S47-C51 PolarHBondContact O-N 3.09Å; G48-C51 PolarHBondContact O-N 3.14Å; C51-C53 VanDerWaalsContact C-N 3.34Å; C51-C53 PolarHBondContact O-N 3.19Å; C51-F54 WeakPolarHBondContact O-CB 3.24Å; C51-F54 PolarHBondContact O-N 3Å; C51-I55 WeakPolarHBondContact O-CG1 3.22Å; C51-I55 PolarHBondContact O-N 3.27Å; C51-I55 VanDerWaalsContact O-N 3.1Å; C51-Y259 HydrophobicContact CB-CD1 4.27Å
52L90.4Very high88.7Confident63 Ų6328.1 Ų28.133%0.3314%0.144SC..Hα-helixtrans-59.9-45.4174-179.265.7000111.2G48 W49 F54 I55 M56G48-L52 WeakPolarHBondContact O-CB 3.48Å; G48-L52 PolarHBondContact O-N 3.32Å; W49-L52 HydrophobicContact CE3-CD2 4.1Å; W49-L52 HydrophobicContact CZ3-CD2 4.04Å; W49-L52 PolarHBondContact O-N 3.47Å; L52-F54 VanDerWaalsContact C-N 3.31Å; L52-F54 PolarHBondContact O-N 2.85Å; L52-I55 PolarHBondContact O-N 3.27Å; L52-M56 HydrophobicContact CD1-CG 4.26Å; L52-M56 HydrophobicContact CD1-SD 4.15Å; L52-M56 HydrophobicContact CD2-SD 4.39Å; L52-M56 HydrophobicContact CG-CG 4.4Å; L52-M56 HydrophobicContact CG-SD 3.94Å; L52-M56 WeakPolarHBondContact O-CB 2.96Å; L52-M56 WeakPolarHBondContact O-CG 3.22Å; L52-M56 PolarHBondContact O-N 2.93Å
53C92.5Very high88.9Confident1 Ų129.7 Ų29.71%0.00715%0.154CC..Hα-helixtrans-56.9-46.2174.7-173.60000111.1W49 S50 C51 I55 M56 F57 F285 T288W49-C53 VanDerWaalsContact O-CB 3.32Å; W49-C53 WeakPolarHBondContact O-CB 3.45Å; W49-C53 PolarHBondContact O-N 2.68Å; S50-C53 WeakPolarHBondContact O-CB 3.37Å; S50-C53 PolarHBondContact O-N 3.07Å; C51-C53 VanDerWaalsContact C-N 3.34Å; C51-C53 PolarHBondContact O-N 3.19Å; C53-I55 VanDerWaalsContact C-N 3.34Å; C53-I55 PolarHBondContact O-N 2.79Å; C53-M56 PolarHBondContact O-N 2.82Å; C53-F57 WeakPolarHBondContact O-CA 3.34Å; C53-F57 WeakPolarHBondContact O-CB 3.24Å; C53-F57 PolarHBondContact O-N 3.38Å; C53-F285 HydrophobicContact CB-CB 4.37Å; C53-F285 HydrophobicContact CB-CD2 3.43Å; C53-F285 VanDerWaalsContact CB-CD2 3.43Å; C53-F285 HydrophobicContact CB-CE2 3.72Å; C53-F285 HydrophobicContact CB-CG 3.87Å; C53-F285 HydrophobicContact CB-CZ 4.39Å; C53-F285 PolarHBondContact SG-O 3.01Å; C53-T288 HydrophobicContact CB-CG2 3.97Å
54F92.8Very high88.9Confident19 Ų1931.3 Ų31.38%0.08317%0.165CC..Hα-helixtrans-57.3-45.5178.1177.2-91.2000112.5Y39 S50 C51 L52 H58 L292 A329 Q333Y39-F54 HydrophobicContact CE1-CD2 4.21Å; Y39-F54 HydrophobicContact CE1-CE2 4.39Å; Y39-F54 HydrophobicContact CE2-CD2 4.47Å; Y39-F54 AromaticContact CZ-CD2 3.65Å; Y39-F54 WeakPolarHBondContact OH-CB 3.42Å; Y39-F54 WeakPolarHBondContact OH-CD2 3.25Å; Y39-F54 WeakPolarHBondContact OH-CG 3.41Å; S50-F54 WeakPolarHBondContact O-CB 3.29Å; S50-F54 PolarHBondContact O-N 3.04Å; C51-F54 WeakPolarHBondContact O-CB 3.24Å; C51-F54 PolarHBondContact O-N 3Å; L52-F54 VanDerWaalsContact C-N 3.31Å; L52-F54 PolarHBondContact O-N 2.85Å; F54-H58 AromaticContact CD2-CE1 3.54Å; F54-H58 AromaticContact CD2-ND1 3.79Å; F54-H58 AromaticContact CE1-ND1 3.93Å; F54-H58 AromaticContact CE2-CE1 3.15Å; F54-H58 WeakPolarHBondContact CE2-CE1 3.05Å; F54-H58 AromaticContact CE2-ND1 3.68Å; F54-H58 AromaticContact CZ-CE1 3.46Å; F54-H58 VanDerWaalsContact CZ-CE1 3.46Å; F54-H58 WeakPolarHBondContact CZ-CE1 3.02Å; F54-H58 AromaticContact CZ-ND1 3.72Å; F54-H58 PolarHBondContact O-N 3.19Å; F54-H58 PolarHBondContact O-ND1 3.43Å; F54-L292 HydrophobicContact CB-CD1 4.23Å; F54-L292 HydrophobicContact CD2-CD1 3.89Å; F54-L292 HydrophobicContact CD2-CD2 4.03Å; F54-L292 HydrophobicContact CE2-CD2 4.45Å; F54-L292 HydrophobicContact CG-CD1 4.49Å; F54-A329 HydrophobicContact CZ-CB 4.35Å; F54-A329 WeakPolarHBondContact CZ-O 3.13Å; F54-Q333 HydrophobicContact CE1-CG 4.12Å; F54-Q333 VanDerWaalsContact CE2-NE2 3.27Å; F54-Q333 VanDerWaalsContact CG-NE2 3.35Å; F54-Q333 HydrophobicContact CZ-CG 3.91Å
55I92.3Very high89.1Confident92 Ų9230.4 Ų30.447%0.47216%0.162SC..Hα-helixtrans-66.9-48.3179.2-63.3169000110.7C51 L52 C53 F57 H58 T59C51-I55 WeakPolarHBondContact O-CG1 3.22Å; C51-I55 PolarHBondContact O-N 3.27Å; C51-I55 VanDerWaalsContact O-N 3.1Å; L52-I55 PolarHBondContact O-N 3.27Å; C53-I55 VanDerWaalsContact C-N 3.34Å; C53-I55 PolarHBondContact O-N 2.79Å; I55-F57 VanDerWaalsContact C-N 3.35Å; I55-F57 PolarHBondContact O-N 3.03Å; I55-H58 PolarHBondContact O-N 2.87Å; I55-T59 WeakPolarHBondContact O-CB 3.4Å; I55-T59 WeakPolarHBondContact O-CG2 3.25Å; I55-T59 PolarHBondContact O-N 3.01Å; I55-T59 PolarHBondContact O-OG1 3.33Å
56M92.3Very high89.6Confident74 Ų7430.2 Ų30.237%0.36516%0.161SC..Hα-helixtrans-63.9-40.1179.2-71.2-177.470.200112L52 C53 H58 I60 Y61 F285L52-M56 HydrophobicContact CD1-CG 4.26Å; L52-M56 HydrophobicContact CD1-SD 4.15Å; L52-M56 HydrophobicContact CD2-SD 4.39Å; L52-M56 HydrophobicContact CG-CG 4.4Å; L52-M56 HydrophobicContact CG-SD 3.94Å; L52-M56 WeakPolarHBondContact O-CB 2.96Å; L52-M56 WeakPolarHBondContact O-CG 3.22Å; L52-M56 PolarHBondContact O-N 2.93Å; C53-M56 PolarHBondContact O-N 2.82Å; M56-H58 PolarHBondContact O-N 3.31Å; M56-I60 HydrophobicContact CB-CD1 4.42Å; M56-I60 HydrophobicContact CE-CD1 4.1Å; M56-I60 HydrophobicContact CG-CD1 4.35Å; M56-I60 WeakPolarHBondContact O-CA 3.29Å; M56-I60 WeakPolarHBondContact O-CB 3.42Å; M56-I60 PolarHBondContact O-N 3.19Å; M56-Y61 PolarHBondContact O-N 3.12Å; M56-F285 HydrophobicContact SD-CE2 3.99Å; M56-F285 HydrophobicContact SD-CZ 4.34Å
57F93.4Very high90.1Very high3 Ų332.5 Ų32.51%0.01317%0.17CC..Iπ-helixtrans-61.2-45.9178.4178.7-86.5000110.9C53 I55 Y61 S62 F289 L292 Y296 L298C53-F57 WeakPolarHBondContact O-CA 3.34Å; C53-F57 WeakPolarHBondContact O-CB 3.24Å; C53-F57 PolarHBondContact O-N 3.38Å; I55-F57 VanDerWaalsContact C-N 3.35Å; I55-F57 PolarHBondContact O-N 3.03Å; F57-Y61 AromaticContact CD2-CD1 3.69Å; F57-Y61 HydrophobicContact CD2-CD1 3.69Å; F57-Y61 HydrophobicContact CD2-CE1 4.37Å; F57-Y61 HydrophobicContact CD2-CG 4.39Å; F57-Y61 AromaticContact CE2-CD1 3.39Å; F57-Y61 HydrophobicContact CE2-CD1 3.39Å; F57-Y61 AromaticContact CE2-CE1 3.7Å; F57-Y61 HydrophobicContact CE2-CE1 3.7Å; F57-Y61 HydrophobicContact CE2-CG 4.46Å; F57-Y61 HydrophobicContact CZ-CD1 4Å; F57-Y61 HydrophobicContact CZ-CE1 4.31Å; F57-Y61 WeakPolarHBondContact O-CB 3.35Å; F57-Y61 PolarHBondContact O-N 2.02Å; F57-S62 VanDerWaalsContact O-CB 3.29Å; F57-S62 WeakPolarHBondContact O-CB 2.87Å; F57-S62 PolarHBondContact O-N 3.02Å; F57-F289 AromaticContact CD2-CD2 3.72Å; F57-F289 HydrophobicContact CD2-CD2 3.72Å; F57-F289 AromaticContact CD2-CE2 3.85Å; F57-F289 HydrophobicContact CD2-CE2 3.85Å; F57-F289 HydrophobicContact CD2-CG 4.4Å; F57-F289 HydrophobicContact CE2-CD2 4.35Å; F57-F289 HydrophobicContact CE2-CE2 4.28Å; F57-L292 HydrophobicContact CB-CD1 4.05Å; F57-L292 HydrophobicContact CD1-CB 3.97Å; F57-L292 HydrophobicContact CD1-CD1 4.03Å; F57-L292 HydrophobicContact CD2-CB 4.25Å; F57-L292 HydrophobicContact CE1-CB 3.87Å; F57-L292 HydrophobicContact CE2-CB 4.13Å; F57-L292 HydrophobicContact CG-CB 4.17Å; F57-L292 HydrophobicContact CG-CD1 3.98Å; F57-L292 HydrophobicContact CZ-CB 3.93Å; F57-Y296 HydrophobicContact CD1-CD2 4.41Å; F57-Y296 AromaticContact CE1-CD2 3.59Å; F57-Y296 HydrophobicContact CE1-CD2 3.59Å; F57-Y296 HydrophobicContact CE1-CE2 4.1Å; F57-Y296 HydrophobicContact CZ-CD2 4.28Å; F57-L298 HydrophobicContact CE1-CD1 4.3Å; F57-L298 HydrophobicContact CE2-CD1 4.13Å; F57-L298 HydrophobicContact CZ-CD1 3.46Å; F57-L298 VanDerWaalsContact CZ-CD1 3.46Å
58H92.5Very high90.3Very high12 Ų1232.3 Ų32.36%0.05617%0.168CC..Iπ-helixtrans-69.5-46.3179.3-7686.3000112.5F54 I55 M56 C63 Y296 A329F54-H58 AromaticContact CD2-CE1 3.54Å; F54-H58 AromaticContact CD2-ND1 3.79Å; F54-H58 AromaticContact CE1-ND1 3.93Å; F54-H58 AromaticContact CE2-CE1 3.15Å; F54-H58 WeakPolarHBondContact CE2-CE1 3.05Å; F54-H58 AromaticContact CE2-ND1 3.68Å; F54-H58 AromaticContact CZ-CE1 3.46Å; F54-H58 VanDerWaalsContact CZ-CE1 3.46Å; F54-H58 WeakPolarHBondContact CZ-CE1 3.02Å; F54-H58 AromaticContact CZ-ND1 3.72Å; F54-H58 PolarHBondContact O-N 3.19Å; F54-H58 PolarHBondContact O-ND1 3.43Å; I55-H58 PolarHBondContact O-N 2.87Å; M56-H58 PolarHBondContact O-N 3.31Å; H58-C63 PolarHBondContact O-N 3.07Å; H58-C63 PolarHBondContact O-SG 3.25Å; H58-Y296 AromaticContact CE1-CE2 3.39Å; H58-Y296 WeakPolarHBondContact CE1-CE2 3.4Å; H58-Y296 AromaticContact CE1-CZ 3.56Å; H58-Y296 PolarHBondContact CE1-OH 3.16Å; H58-Y296 VanDerWaalsContact CE1-OH 3.28Å; H58-Y296 AromaticContact NE2-CE1 3.9Å; H58-Y296 AromaticContact NE2-CE2 3.2Å; H58-Y296 WeakPolarHBondContact NE2-CE2 3.36Å; H58-Y296 AromaticContact NE2-CZ 3.08Å; H58-Y296 PolarHBondContact NE2-OH 3.12Å; H58-A329 VanDerWaalsContact CD2-CB 3.43Å; H58-A329 WeakPolarHBondContact CD2-CB 3.43Å
59T90Very high90.7Very high85 Ų8532.2 Ų32.252%0.52117%0.168SC..Iπ-helixtrans-77.9-47.1-171.953.30000113.1I55I55-T59 WeakPolarHBondContact O-CB 3.4Å; I55-T59 WeakPolarHBondContact O-CG2 3.25Å; I55-T59 PolarHBondContact O-N 3.01Å; I55-T59 PolarHBondContact O-OG1 3.33Å
60I90.7Very high90.8Very high96 Ų9628.9 Ų28.949%0.49216%0.155SC..Iπ-helixtrans-95.8-40-170.9-59.1171.4000111.5M56 P64 L503M56-I60 HydrophobicContact CB-CD1 4.42Å; M56-I60 HydrophobicContact CE-CD1 4.1Å; M56-I60 HydrophobicContact CG-CD1 4.35Å; M56-I60 WeakPolarHBondContact O-CA 3.29Å; M56-I60 WeakPolarHBondContact O-CB 3.42Å; M56-I60 PolarHBondContact O-N 3.19Å; I60-P64 VanDerWaalsContact O-CD 3.23Å; I60-P64 WeakPolarHBondContact O-CD 3.5Å; I60-P64 WeakPolarHBondContact O-CG 3.04Å; I60-L503 HydrophobicContact CG2-CD2 4.06Å
61Y91.1Very high90.6Very high9 Ų930 Ų304%0.03516%0.159CC..Iπ-helixtrans-94.2-56.3-171.7-175.2-101.7000113.2M56 F57 P64 I65 F289 L298 W299 L503 S507M56-Y61 PolarHBondContact O-N 3.12Å; F57-Y61 AromaticContact CD2-CD1 3.69Å; F57-Y61 HydrophobicContact CD2-CD1 3.69Å; F57-Y61 HydrophobicContact CD2-CE1 4.37Å; F57-Y61 HydrophobicContact CD2-CG 4.39Å; F57-Y61 AromaticContact CE2-CD1 3.39Å; F57-Y61 HydrophobicContact CE2-CD1 3.39Å; F57-Y61 AromaticContact CE2-CE1 3.7Å; F57-Y61 HydrophobicContact CE2-CE1 3.7Å; F57-Y61 HydrophobicContact CE2-CG 4.46Å; F57-Y61 HydrophobicContact CZ-CD1 4Å; F57-Y61 HydrophobicContact CZ-CE1 4.31Å; F57-Y61 WeakPolarHBondContact O-CB 3.35Å; F57-Y61 PolarHBondContact O-N 2.02Å; Y61-P64 WeakPolarHBondContact O-CD 3.41Å; Y61-P64 WeakPolarHBondContact O-CG 3.29Å; Y61-I65 HydrophobicContact CD1-CD1 3.77Å; Y61-I65 HydrophobicContact CD2-CD1 3.76Å; Y61-I65 HydrophobicContact CE1-CD1 3.48Å; Y61-I65 VanDerWaalsContact CE1-CD1 3.48Å; Y61-I65 HydrophobicContact CE2-CD1 3.41Å; Y61-I65 VanDerWaalsContact CE2-CD1 3.41Å; Y61-I65 HydrophobicContact CG-CD1 3.91Å; Y61-I65 VanDerWaalsContact O-CD1 3.27Å; Y61-I65 WeakPolarHBondContact O-CD1 3.31Å; Y61-I65 VanDerWaalsContact O-CG1 3.28Å; Y61-I65 WeakPolarHBondContact O-CG1 3.42Å; Y61-F289 AromaticContact CD1-CE2 3.93Å; Y61-F289 HydrophobicContact CD1-CE2 3.93Å; Y61-F289 HydrophobicContact CD1-CZ 4.01Å; Y61-F289 AromaticContact CD2-CE2 3.95Å; Y61-F289 HydrophobicContact CD2-CE2 3.95Å; Y61-F289 AromaticContact CD2-CZ 3.89Å; Y61-F289 HydrophobicContact CD2-CZ 3.89Å; Y61-F289 HydrophobicContact CE1-CE2 4.09Å; Y61-F289 AromaticContact CE1-CZ 3.68Å; Y61-F289 HydrophobicContact CE1-CZ 3.68Å; Y61-F289 HydrophobicContact CE2-CE2 4.17Å; Y61-F289 AromaticContact CE2-CZ 3.62Å; Y61-F289 HydrophobicContact CE2-CZ 3.62Å; Y61-F289 AromaticContact CG-CE2 3.84Å; Y61-F289 HydrophobicContact CG-CE2 3.84Å; Y61-F289 HydrophobicContact CG-CZ 4.09Å; Y61-F289 AromaticContact CZ-CZ 3.49Å; Y61-F289 VanDerWaalsContact CZ-CZ 3.49Å; Y61-L298 HydrophobicContact CD1-CD1 4.08Å; Y61-L298 HydrophobicContact CE1-CD1 3.69Å; Y61-W299 WeakPolarHBondContact OH-CZ2 3.03Å; Y61-L503 HydrophobicContact CD2-CB 4.17Å; Y61-L503 HydrophobicContact CD2-CD2 4.07Å; Y61-L503 HydrophobicContact CE2-CB 4.29Å; Y61-S507 WeakPolarHBondContact OH-CB 3.31Å; Y61-S507 PolarHBondContact OH-OG 3.47Å
62S91.7Very high90.6Very high0 Ų028.8 Ų28.80%015%0.15CC..Iπ-helixtrans-66.8-44.9-174-174.40000112.4F57 I65 T66F57-S62 VanDerWaalsContact O-CB 3.29Å; F57-S62 WeakPolarHBondContact O-CB 2.87Å; F57-S62 PolarHBondContact O-N 3.02Å; S62-I65 PolarHBondContact O-N 2.88Å; S62-T66 WeakPolarHBondContact O-CB 3.21Å; S62-T66 VanDerWaalsContact O-CG2 3.26Å; S62-T66 WeakPolarHBondContact O-CG2 3.31Å; S62-T66 PolarHBondContact O-N 3.31Å; S62-T66 PolarHBondContact O-OG1 3.42Å
63C90.8Very high90.6Very high34 Ų3425.8 Ų25.823%0.2314%0.135CC..Hα-helixtrans-52.1-57.8-179.9-77.20000114.6H58 I65 T66 Y67 W321H58-C63 PolarHBondContact O-N 3.07Å; H58-C63 PolarHBondContact O-SG 3.25Å; C63-I65 VanDerWaalsContact C-N 3.34Å; C63-I65 PolarHBondContact O-N 3.36Å; C63-T66 PolarHBondContact O-OG1 2.89Å; C63-T66 VanDerWaalsContact O-OG1 3.08Å; C63-Y67 WeakPolarHBondContact O-CB 3.25Å; C63-Y67 PolarHBondContact O-N 3.17Å; C63-W321 HydrophobicContact CB-CH2 4.26Å; C63-W321 HydrophobicContact CB-CZ3 4.05Å
64P89.2Confident90.4Very high35 Ų3525.7 Ų25.723%0.22713%0.134CC..Hα-helixtrans-66.6-34.5-178.523.2-32.6000113.1I60 Y61 L68 I499 L503I60-P64 VanDerWaalsContact O-CD 3.23Å; I60-P64 WeakPolarHBondContact O-CD 3.5Å; I60-P64 WeakPolarHBondContact O-CG 3.04Å; Y61-P64 WeakPolarHBondContact O-CD 3.41Å; Y61-P64 WeakPolarHBondContact O-CG 3.29Å; P64-L68 WeakPolarHBondContact O-CB 3.41Å; P64-L68 PolarHBondContact O-N 3.14Å; P64-I499 HydrophobicContact CB-CG2 4.37Å; P64-L503 HydrophobicContact CB-CD1 4.08Å; P64-L503 HydrophobicContact CG-CD1 3.32Å
65I90Very high90Very high2 Ų230.2 Ų30.21%0.0115%0.151CC..Hα-helixtrans-68-50.4179.2-65.7169000110.5Y61 S62 C63 Y67 L68 Q69 L298 W299 Y500Y61-I65 HydrophobicContact CD1-CD1 3.77Å; Y61-I65 HydrophobicContact CD2-CD1 3.76Å; Y61-I65 HydrophobicContact CE1-CD1 3.48Å; Y61-I65 VanDerWaalsContact CE1-CD1 3.48Å; Y61-I65 HydrophobicContact CE2-CD1 3.41Å; Y61-I65 VanDerWaalsContact CE2-CD1 3.41Å; Y61-I65 HydrophobicContact CG-CD1 3.91Å; Y61-I65 VanDerWaalsContact O-CD1 3.27Å; Y61-I65 WeakPolarHBondContact O-CD1 3.31Å; Y61-I65 VanDerWaalsContact O-CG1 3.28Å; Y61-I65 WeakPolarHBondContact O-CG1 3.42Å; S62-I65 PolarHBondContact O-N 2.88Å; C63-I65 VanDerWaalsContact C-N 3.34Å; C63-I65 PolarHBondContact O-N 3.36Å; I65-Y67 VanDerWaalsContact C-N 3.35Å; I65-Y67 PolarHBondContact O-N 2.98Å; I65-L68 PolarHBondContact O-N 3.22Å; I65-Q69 VanDerWaalsContact CG2-NE2 3.35Å; I65-Q69 WeakPolarHBondContact O-CG 3.15Å; I65-Q69 PolarHBondContact O-N 3.45Å; I65-L298 HydrophobicContact CG2-CD2 4.24Å; I65-W299 HydrophobicContact CD1-CH2 4.15Å; I65-W299 HydrophobicContact CD1-CZ2 3.78Å; I65-W299 HydrophobicContact CG1-CH2 4.4Å; I65-W299 HydrophobicContact CG2-CH2 3.71Å; I65-W299 HydrophobicContact CG2-CZ2 4.05Å; I65-W299 HydrophobicContact CG2-CZ3 4.29Å; I65-Y500 HydrophobicContact CB-CE2 4.45Å; I65-Y500 HydrophobicContact CG1-CD2 4.36Å; I65-Y500 HydrophobicContact CG1-CE2 3.89Å
66T91.2Very high89.6Confident0 Ų027.4 Ų27.40%014%0.139CC..Hα-helixtrans-64.6-39.9178.955.40000111.4S62 C63 L68 F70 L298 Y303 V325S62-T66 WeakPolarHBondContact O-CB 3.21Å; S62-T66 VanDerWaalsContact O-CG2 3.26Å; S62-T66 WeakPolarHBondContact O-CG2 3.31Å; S62-T66 PolarHBondContact O-N 3.31Å; S62-T66 PolarHBondContact O-OG1 3.42Å; C63-T66 PolarHBondContact O-OG1 2.89Å; C63-T66 VanDerWaalsContact O-OG1 3.08Å; T66-L68 PolarHBondContact O-N 3.16Å; T66-F70 WeakPolarHBondContact O-CB 3.36Å; T66-F70 PolarHBondContact O-N 3.48Å; T66-L298 HydrophobicContact CG2-CD2 3.56Å; T66-Y303 HydrophobicContact CG2-CD1 3.91Å; T66-Y303 HydrophobicContact CG2-CD2 4.23Å; T66-Y303 HydrophobicContact CG2-CE1 3.45Å; T66-Y303 VanDerWaalsContact CG2-CE1 3.45Å; T66-Y303 HydrophobicContact CG2-CE2 3.83Å; T66-Y303 HydrophobicContact CG2-CG 4.27Å; T66-Y303 VanDerWaalsContact CG2-CZ 3.41Å; T66-V325 HydrophobicContact CG2-CG2 4.1Å; T66-V325 WeakPolarHBondContact OG1-CG2 3.27Å
67Y89.6Confident89.3Confident48 Ų4827.5 Ų27.519%0.18814%0.135CC..Hα-helixtrans-55.2-51.8171.8170.6-98.6000111.8C63 I65 R71 W321 I496C63-Y67 WeakPolarHBondContact O-CB 3.25Å; C63-Y67 PolarHBondContact O-N 3.17Å; I65-Y67 VanDerWaalsContact C-N 3.35Å; I65-Y67 PolarHBondContact O-N 2.98Å; Y67-R71 WeakPolarHBondContact O-CB 3.1Å; Y67-R71 PolarHBondContact O-N 3.32Å; Y67-R71 PolarHBondContact OH-NH1 2.79Å; Y67-W321 AromaticContact CD2-CE2 3.89Å; Y67-W321 HydrophobicContact CD2-CZ2 4.13Å; Y67-W321 AromaticContact CD2-NE1 3.54Å; Y67-I496 HydrophobicContact CE1-CD1 4.26Å
68L88.5Confident89Confident1 Ų129.3 Ų29.31%0.00514%0.144CC..Hα-helixtrans-62.6-51.3-177.5-178.465.8000111P64 I65 T66 R71 L72 F475 Y479 Y500P64-L68 WeakPolarHBondContact O-CB 3.41Å; P64-L68 PolarHBondContact O-N 3.14Å; I65-L68 PolarHBondContact O-N 3.22Å; T66-L68 PolarHBondContact O-N 3.16Å; L68-R71 PolarHBondContact O-N 2.7Å; L68-L72 HydrophobicContact CD1-CD1 4.1Å; L68-L72 HydrophobicContact CD1-CG 4.22Å; L68-L72 HydrophobicContact CG-CD1 3.94Å; L68-L72 HydrophobicContact CG-CG 4.43Å; L68-L72 WeakPolarHBondContact O-CB 3.38Å; L68-L72 VanDerWaalsContact O-CG 3.24Å; L68-L72 WeakPolarHBondContact O-CG 3.16Å; L68-L72 PolarHBondContact O-N 2.87Å; L68-F475 HydrophobicContact CD2-CB 4.36Å; L68-Y479 HydrophobicContact CD1-CD1 4.13Å; L68-Y479 HydrophobicContact CD1-CD2 3.47Å; L68-Y479 VanDerWaalsContact CD1-CD2 3.47Å; L68-Y479 HydrophobicContact CD1-CE2 3.95Å; L68-Y479 HydrophobicContact CD1-CG 3.59Å; L68-Y500 HydrophobicContact CD2-CD1 4.14Å; L68-Y500 HydrophobicContact CD2-CD2 3.7Å; L68-Y500 HydrophobicContact CD2-CE1 4.05Å; L68-Y500 HydrophobicContact CD2-CE2 3.6Å; L68-Y500 HydrophobicContact CD2-CG 3.99Å
69Q91.3Very high88.7Confident0 Ų028.8 Ų28.80%014%0.142CC..Hα-helixtrans-61.3-53.4-179.6-67-174.627.600110.7I65 R71 L72 F73 L298 F475I65-Q69 VanDerWaalsContact CG2-NE2 3.35Å; I65-Q69 WeakPolarHBondContact O-CG 3.15Å; I65-Q69 PolarHBondContact O-N 3.45Å; Q69-R71 PolarHBondContact O-N 3.05Å; Q69-L72 PolarHBondContact O-N 3.09Å; Q69-F73 WeakPolarHBondContact O-CD2 3.11Å; Q69-F73 PolarHBondContact O-N 2.67Å; Q69-F73 VanDerWaalsContact O-N 3.1Å; Q69-L298 PolarHBondContact NE2-O 2.86Å; Q69-L298 PolarHBondContact OE1-O 3.14Å; Q69-F475 HydrophobicContact CG-CD2 4.08Å; Q69-F475 HydrophobicContact CG-CE2 3.9Å; Q69-F475 HydrophobicContact CG-CZ 4.32Å
70F89.2Confident88.8Confident1 Ų124.9 Ų24.90%0.00412%0.118CC..Hα-helixtrans-55.5-41.8-179.6-174.3-86.6000111.8T66 S74 I306 V310 M316 W321T66-F70 WeakPolarHBondContact O-CB 3.36Å; T66-F70 PolarHBondContact O-N 3.48Å; F70-S74 WeakPolarHBondContact O-CB 3.49Å; F70-S74 PolarHBondContact O-N 3.17Å; F70-S74 PolarHBondContact O-OG 3.37Å; F70-I306 HydrophobicContact CD2-CG2 4.16Å; F70-I306 HydrophobicContact CE2-CG2 3.91Å; F70-V310 HydrophobicContact CE2-CB 3.83Å; F70-V310 HydrophobicContact CE2-CG1 4.13Å; F70-V310 HydrophobicContact CE2-CG2 4.27Å; F70-V310 HydrophobicContact CZ-CB 3.66Å; F70-V310 HydrophobicContact CZ-CG1 3.62Å; F70-M316 WeakPolarHBondContact CE1-O 3.33Å; F70-W321 HydrophobicContact CB-CB 4.07Å; F70-W321 HydrophobicContact CD1-CB 4.32Å; F70-W321 HydrophobicContact CD2-CB 4.11Å; F70-W321 HydrophobicContact CG-CB 3.92Å
71R85.5Confident88.9Confident22 Ų2220.7 Ų20.78%0.08310%0.096CC..Hα-helixtrans-70.8-42.8-179.2-176.9171.7173.2-147.9-18113.7Y67 L68 Q69 F73 S74 R75 E488Y67-R71 WeakPolarHBondContact O-CB 3.1Å; Y67-R71 PolarHBondContact O-N 3.32Å; Y67-R71 PolarHBondContact OH-NH1 2.79Å; L68-R71 PolarHBondContact O-N 2.7Å; Q69-R71 PolarHBondContact O-N 3.05Å; R71-F73 VanDerWaalsContact C-N 3.29Å; R71-F73 PolarHBondContact O-N 3.17Å; R71-S74 WeakPolarHBondContact CA-OG 3.38Å; R71-S74 PolarHBondContact O-OG 2.74Å; R71-S74 VanDerWaalsContact O-OG 3.13Å; R71-R75 WeakPolarHBondContact O-CB 3.42Å; R71-R75 PolarHBondContact O-N 2.73Å; R71-E488 IonicContact CZ-OE1 3Å; R71-E488 IonicContact CZ-OE2 2.63Å; R71-E488 IonicContact NH1-OE1 3.53Å; R71-E488 PolarHBondContact NH1-OE1 3.25Å; R71-E488 IonicContact NH1-OE2 2.83Å; R71-E488 IonicContact NH2-OE1 3.54Å; R71-E488 PolarHBondContact NH2-OE1 3.41Å; R71-E488 IonicContact NH2-OE2 3.94Å; R71-E488 PolarHBondContact NH2-OE2 3.26Å
72L88.7Confident88.9Confident7 Ų721.1 Ų21.14%0.03710%0.1CC..Hα-helixtrans-57.6-47.4176.7-75.6174.6000110.2L68 Q69 R75 S76 F475 V478 Y479 L482L68-L72 HydrophobicContact CD1-CD1 4.1Å; L68-L72 HydrophobicContact CD1-CG 4.22Å; L68-L72 HydrophobicContact CG-CD1 3.94Å; L68-L72 HydrophobicContact CG-CG 4.43Å; L68-L72 WeakPolarHBondContact O-CB 3.38Å; L68-L72 VanDerWaalsContact O-CG 3.24Å; L68-L72 WeakPolarHBondContact O-CG 3.16Å; L68-L72 PolarHBondContact O-N 2.87Å; Q69-L72 PolarHBondContact O-N 3.09Å; L72-R75 PolarHBondContact O-N 2.89Å; L72-S76 PolarHBondContact O-N 2.89Å; L72-S76 PolarHBondContact O-OG 3.07Å; L72-F475 HydrophobicContact CD1-CB 4.14Å; L72-F475 HydrophobicContact CD1-CD1 4.17Å; L72-F475 HydrophobicContact CD1-CG 4.47Å; L72-V478 HydrophobicContact CD2-CG1 4.3Å; L72-Y479 HydrophobicContact CD2-CD2 3.98Å; L72-L482 HydrophobicContact CD2-CD1 3.22Å
73F90.4Very high88.8Confident0 Ų021.2 Ų21.20%010%0.101CC..Hα-helixtrans-83.5-27.5-173.4-72.7-78.5000114.9Q69 R71 R75 S76 R77 E78 I80 L83 P304 F475Q69-F73 WeakPolarHBondContact O-CD2 3.11Å; Q69-F73 PolarHBondContact O-N 2.67Å; Q69-F73 VanDerWaalsContact O-N 3.1Å; R71-F73 VanDerWaalsContact C-N 3.29Å; R71-F73 PolarHBondContact O-N 3.17Å; F73-R75 PolarHBondContact O-N 2.96Å; F73-S76 WeakPolarHBondContact CA-OG 3.45Å; F73-R77 WeakPolarHBondContact O-CA 3.5Å; F73-R77 PolarHBondContact O-N 3.45Å; F73-E78 VanDerWaalsContact CD1-O 3.24Å; F73-E78 WeakPolarHBondContact CD1-O 3.35Å; F73-I80 HydrophobicContact CE1-CB 4.33Å; F73-I80 HydrophobicContact CZ-CB 4.07Å; F73-I80 HydrophobicContact CZ-CG1 4.06Å; F73-L83 HydrophobicContact CD1-CD2 4.18Å; F73-L83 HydrophobicContact CE1-CB 3.89Å; F73-L83 HydrophobicContact CE1-CD2 3.47Å; F73-L83 VanDerWaalsContact CE1-CD2 3.47Å; F73-L83 HydrophobicContact CE1-CG 4.3Å; F73-L83 HydrophobicContact CE2-CD2 3.97Å; F73-L83 HydrophobicContact CZ-CB 4.28Å; F73-L83 HydrophobicContact CZ-CD2 3.34Å; F73-L83 HydrophobicContact CZ-CG 4.44Å; F73-P304 HydrophobicContact CB-CB 4.47Å; F73-P304 WeakPolarHBondContact CB-O 3.22Å; F73-P304 HydrophobicContact CD1-CB 3.83Å; F73-P304 HydrophobicContact CD2-CB 3.44Å; F73-P304 VanDerWaalsContact CD2-CB 3.44Å; F73-P304 HydrophobicContact CD2-CG 3.71Å; F73-P304 HydrophobicContact CE1-CB 3.83Å; F73-P304 HydrophobicContact CE2-CB 3.48Å; F73-P304 VanDerWaalsContact CE2-CB 3.48Å; F73-P304 HydrophobicContact CE2-CG 3.46Å; F73-P304 VanDerWaalsContact CE2-CG 3.46Å; F73-P304 VanDerWaalsContact CG-CA 3.45Å; F73-P304 HydrophobicContact CG-CB 3.63Å; F73-P304 HydrophobicContact CG-CG 4.41Å; F73-P304 HydrophobicContact CZ-CB 3.67Å; F73-P304 HydrophobicContact CZ-CG 3.93Å; F73-F475 HydrophobicContact CE2-CD1 4.09Å; F73-F475 AromaticContact CE2-CE1 3.4Å; F73-F475 HydrophobicContact CE2-CE1 3.4Å; F73-F475 VanDerWaalsContact CE2-CE1 3.4Å; F73-F475 HydrophobicContact CE2-CZ 4.08Å; F73-F475 AromaticContact CZ-CE1 3.7Å; F73-F475 HydrophobicContact CZ-CE1 3.7Å; F73-F475 HydrophobicContact CZ-CZ 4.49Å
74S87Confident88.9Confident0 Ų019.6 Ų19.60%09%0.09CC..Hα-helixtrans-70.6-18.9168.556.90000113.3F70 R71 G307 R317F70-S74 WeakPolarHBondContact O-CB 3.49Å; F70-S74 PolarHBondContact O-N 3.17Å; F70-S74 PolarHBondContact O-OG 3.37Å; R71-S74 WeakPolarHBondContact CA-OG 3.38Å; R71-S74 PolarHBondContact O-OG 2.74Å; R71-S74 VanDerWaalsContact O-OG 3.13Å; S74-G307 WeakPolarHBondContact CA-O 3.29Å; S74-G307 VanDerWaalsContact CB-O 3.23Å; S74-G307 WeakPolarHBondContact CB-O 3.45Å; S74-G307 PolarHBondContact N-O 3.46Å; S74-R317 WeakPolarHBondContact OG-CG 3.31Å
75R84.6Confident88.9Confident114 Ų11418 Ų1843%0.438%0.079SC..Hα-helixtrans-87.7-48.1171.5-176.5176.7-178.2168-0.5112.2R71 L72 F73 R483R71-R75 WeakPolarHBondContact O-CB 3.42Å; R71-R75 PolarHBondContact O-N 2.73Å; L72-R75 PolarHBondContact O-N 2.89Å; F73-R75 PolarHBondContact O-N 2.96Å; R75-R483 PolarHBondContact NH1-O 2.77Å; R75-R483 PolarHBondContact NH2-O 3.37Å
76S84.6Confident88.8Confident32 Ų3221.6 Ų21.622%0.2249%0.093CC..Hα-helixtrans-72.9-35.1-178.662.80000112.5L72 F73 E78L72-S76 PolarHBondContact O-N 2.89Å; L72-S76 PolarHBondContact O-OG 3.07Å; F73-S76 WeakPolarHBondContact CA-OG 3.45Å; S76-E78 PolarHBondContact O-N 2.91Å; S76-E78 PolarHBondContact OG-N 3.19Å
77R85.1Confident88.7Confident76 Ų7622.9 Ų22.929%0.28710%0.098SC..  trans55.225.3-170.8-58.9-173.9175-154.4-0.8113.6P14 F73 K308 S311P14-R77 VanDerWaalsContact CB-NH1 3.33Å; P14-R77 PolarHBondContact O-NH1 3.31Å; P14-R77 PolarHBondContact O-NH2 3.29Å; F73-R77 WeakPolarHBondContact O-CA 3.5Å; F73-R77 PolarHBondContact O-N 3.45Å; R77-K308 WeakPolarHBondContact O-CE 3.2Å; R77-S311 VanDerWaalsContact NE-CB 3.32Å; R77-S311 PolarHBondContact NE-OG 3.34Å; R77-S311 VanDerWaalsContact NE-OG 3.09Å; R77-S311 PolarHBondContact NH2-O 2.95Å
78E86.6Confident88.7Confident41 Ų4120.8 Ų20.819%0.1929%0.09CC..SBendtrans-108.4163.9-180-71.6164.9-175.700110.3F73 S76 V82 R86F73-E78 VanDerWaalsContact CD1-O 3.24Å; F73-E78 WeakPolarHBondContact CD1-O 3.35Å; S76-E78 PolarHBondContact O-N 2.91Å; S76-E78 PolarHBondContact OG-N 3.19Å; E78-V82 HydrophobicContact CB-CB 4.25Å; E78-V82 HydrophobicContact CB-CG1 4.13Å; E78-V82 HydrophobicContact CG-CG1 4.06Å; E78-R86 IonicContact OE1-CZ 2.73Å; E78-R86 IonicContact OE1-NH1 3.42Å; E78-R86 PolarHBondContact OE1-NH1 2.87Å; E78-R86 IonicContact OE2-NH1 3.16Å
79G87.6Confident88.8Confident2 Ų220.7 Ų20.72%0.0219%0.09CC..  trans-75.9166.9169.600000111.8L81 V82 L83G79-L81 VanDerWaalsContact C-N 3.33Å; G79-L81 PolarHBondContact O-N 2.89Å; G79-V82 PolarHBondContact O-N 2.95Å; G79-L83 WeakPolarHBondContact O-CB 3.43Å; G79-L83 PolarHBondContact O-N 3.14Å
80I92.1Very high88.7Confident2 Ų223 Ų231%0.0110%0.101CC..Hα-helixtrans-61.4-41.3-179.6-168177.1000112.1F73 L83 F84 P304 H406 Q471 F475F73-I80 HydrophobicContact CE1-CB 4.33Å; F73-I80 HydrophobicContact CZ-CB 4.07Å; F73-I80 HydrophobicContact CZ-CG1 4.06Å; I80-L83 PolarHBondContact O-N 2.92Å; I80-F84 HydrophobicContact CD1-CE2 3.93Å; I80-F84 HydrophobicContact CD1-CZ 4.36Å; I80-F84 HydrophobicContact CG1-CD2 4.07Å; I80-F84 HydrophobicContact CG1-CE2 3.8Å; I80-F84 HydrophobicContact CG1-CZ 4.21Å; I80-F84 PolarHBondContact O-N 3.21Å; I80-P304 HydrophobicContact CB-CB 4.46Å; I80-H406 HydrophobicContact CG2-CB 4.42Å; I80-H406 WeakPolarHBondContact CG2-ND1 3.25Å; I80-H406 PolarHBondContact N-ND1 3.2Å; I80-H406 VanDerWaalsContact N-ND1 3.11Å; I80-Q471 HydrophobicContact CD1-CG 4.22Å; I80-F475 HydrophobicContact CD1-CE1 4.06Å; I80-F475 HydrophobicContact CD1-CZ 3.61Å; I80-F475 HydrophobicContact CG1-CE1 4.13Å; I80-F475 HydrophobicContact CG1-CZ 4.18Å
81L92Very high88.8Confident8 Ų824.9 Ų24.94%0.04211%0.109CC..Hα-helixtrans-58.9-50.1178.2-68.8171.1000111G79 E85 N92 V96 H406 H410G79-L81 VanDerWaalsContact C-N 3.33Å; G79-L81 PolarHBondContact O-N 2.89Å; L81-E85 VanDerWaalsContact O-CB 3.28Å; L81-E85 WeakPolarHBondContact O-CB 3.13Å; L81-E85 PolarHBondContact O-N 3.05Å; L81-N92 WeakPolarHBondContact CA-OD1 3.42Å; L81-N92 VanDerWaalsContact CD2-OD1 3.26Å; L81-N92 WeakPolarHBondContact CD2-OD1 3.35Å; L81-N92 PolarHBondContact O-OD1 3.39Å; L81-V96 HydrophobicContact CD2-CG2 3.64Å; L81-H406 HydrophobicContact CD1-CB 4.14Å; L81-H406 HydrophobicContact CG-CB 4.45Å; L81-H410 HydrophobicContact CB-CB 4.2Å; L81-H410 HydrophobicContact CD1-CB 4.07Å
82V90.4Very high89.1Confident19 Ų1923.8 Ų23.812%0.11511%0.105CC..Hα-helixtrans-65.3-42.2-179178.60000111.3E78 G79 E85 R86 G409 H410E78-V82 HydrophobicContact CB-CB 4.25Å; E78-V82 HydrophobicContact CB-CG1 4.13Å; E78-V82 HydrophobicContact CG-CG1 4.06Å; G79-V82 PolarHBondContact O-N 2.95Å; V82-E85 PolarHBondContact O-N 3Å; V82-R86 WeakPolarHBondContact O-CB 3.29Å; V82-R86 PolarHBondContact O-N 3.43Å; V82-G409 WeakPolarHBondContact CG2-O 3.39Å; V82-H410 HydrophobicContact CG2-CB 4.45Å
83L90.8Very high89.2Confident2 Ų224 Ų241%0.0111%0.106CC..Hα-helixtrans-63.7-49.2-178.8-175.471.1000111.6F73 G79 I80 E85 R86 Y87 V478F73-L83 HydrophobicContact CD1-CD2 4.18Å; F73-L83 HydrophobicContact CE1-CB 3.89Å; F73-L83 HydrophobicContact CE1-CD2 3.47Å; F73-L83 VanDerWaalsContact CE1-CD2 3.47Å; F73-L83 HydrophobicContact CE1-CG 4.3Å; F73-L83 HydrophobicContact CE2-CD2 3.97Å; F73-L83 HydrophobicContact CZ-CB 4.28Å; F73-L83 HydrophobicContact CZ-CD2 3.34Å; F73-L83 HydrophobicContact CZ-CG 4.44Å; G79-L83 WeakPolarHBondContact O-CB 3.43Å; G79-L83 PolarHBondContact O-N 3.14Å; I80-L83 PolarHBondContact O-N 2.92Å; L83-E85 VanDerWaalsContact C-N 3.3Å; L83-E85 PolarHBondContact O-N 2.69Å; L83-R86 PolarHBondContact O-N 3.22Å; L83-Y87 HydrophobicContact CD1-CD2 3.83Å; L83-Y87 HydrophobicContact CD1-CE2 3.66Å; L83-Y87 HydrophobicContact CG-CD2 4.38Å; L83-Y87 WeakPolarHBondContact O-CD2 3.4Å; L83-Y87 PolarHBondContact O-N 3.03Å; L83-V478 HydrophobicContact CD1-CG1 4.24Å; L83-V478 HydrophobicContact CD2-CG1 4.12Å; L83-V478 HydrophobicContact CG-CG1 4.2Å
84F92Very high89.3Confident0 Ų026.4 Ų26.40%012%0.117CC..Hα-helixtrans-65-38.7178.9-74.5-17.4000111.6I80 R86 Y87 V88 F91 N92 Q471 F475 V478I80-F84 HydrophobicContact CD1-CE2 3.93Å; I80-F84 HydrophobicContact CD1-CZ 4.36Å; I80-F84 HydrophobicContact CG1-CD2 4.07Å; I80-F84 HydrophobicContact CG1-CE2 3.8Å; I80-F84 HydrophobicContact CG1-CZ 4.21Å; I80-F84 PolarHBondContact O-N 3.21Å; F84-R86 VanDerWaalsContact C-N 3.32Å; F84-R86 PolarHBondContact O-N 3.28Å; F84-Y87 PolarHBondContact O-N 3.05Å; F84-V88 CarbonylContact O-C 2.87Å; F84-V88 VanDerWaalsContact O-CA 3.32Å; F84-V88 WeakPolarHBondContact O-CA 3.19Å; F84-V88 PolarHBondContact O-N 3.29Å; F84-F91 HydrophobicContact CD2-CB 4.34Å; F84-F91 HydrophobicContact CG-CB 4.42Å; F84-N92 HydrophobicContact CB-CB 4.23Å; F84-Q471 HydrophobicContact CE2-CG 4.32Å; F84-Q471 WeakPolarHBondContact CZ-O 3.47Å; F84-F475 AromaticContact CE1-CD1 3.58Å; F84-F475 HydrophobicContact CE1-CD1 3.58Å; F84-F475 AromaticContact CE1-CE1 3.75Å; F84-F475 HydrophobicContact CE1-CE1 3.75Å; F84-F475 HydrophobicContact CE1-CG 4.37Å; F84-F475 HydrophobicContact CE2-CE1 4.37Å; F84-F475 AromaticContact CZ-CD1 3.55Å; F84-F475 HydrophobicContact CZ-CD1 3.55Å; F84-F475 AromaticContact CZ-CE1 3.41Å; F84-F475 HydrophobicContact CZ-CE1 3.41Å; F84-F475 VanDerWaalsContact CZ-CE1 3.41Å; F84-F475 HydrophobicContact CZ-CG 4.13Å; F84-F475 AromaticContact CZ-CZ 3.98Å; F84-F475 HydrophobicContact CZ-CZ 3.98Å; F84-V478 HydrophobicContact CD1-CG2 3.95Å; F84-V478 HydrophobicContact CE1-CG2 4.18Å
85E89.8Confident89.6Confident2 Ų226.4 Ų26.41%0.00912%0.117CC..Hα-helixtrans-64.2-37.7177.4-153.3-157.3118.300113.8L81 V82 L83 Y87 P89 H410 R569L81-E85 VanDerWaalsContact O-CB 3.28Å; L81-E85 WeakPolarHBondContact O-CB 3.13Å; L81-E85 PolarHBondContact O-N 3.05Å; V82-E85 PolarHBondContact O-N 3Å; L83-E85 VanDerWaalsContact C-N 3.3Å; L83-E85 PolarHBondContact O-N 2.69Å; E85-Y87 PolarHBondContact O-N 3.33Å; E85-P89 WeakPolarHBondContact O-CG 3.26Å; E85-H410 IonicContact OE2-CD2 3.85Å; E85-H410 IonicContact OE2-NE2 2.78Å; E85-R569 WeakPolarHBondContact OE1-CD 2.68Å; E85-R569 IonicContact OE1-CZ 2.68Å; E85-R569 IonicContact OE1-NE 3.53Å; E85-R569 PolarHBondContact OE1-NE 2.94Å; E85-R569 IonicContact OE1-NH1 2.81Å; E85-R569 PolarHBondContact OE1-NH1 2.78Å; E85-R569 VanDerWaalsContact OE2-CD 3.29Å; E85-R569 WeakPolarHBondContact OE2-CD 3.49Å; E85-R569 IonicContact OE2-CZ 3.22Å; E85-R569 IonicContact OE2-NE 3.95Å; E85-R569 PolarHBondContact OE2-NE 3.37Å; E85-R569 IonicContact OE2-NH1 3.63Å; E85-R569 PolarHBondContact OE2-NH1 2.89Å; E85-R569 IonicContact OE2-NH2 3.67Å; E85-R569 PolarHBondContact OE2-NH2 3.43Å
86R88.2Confident90Very high76 Ų7621.5 Ų21.529%0.28710%0.1SC..Hα-helixtrans-64.9-37.4178.4-174175.3-176.9171.65.8113.2E78 V82 L83 F84 E588 Y589E78-R86 IonicContact OE1-CZ 2.73Å; E78-R86 IonicContact OE1-NH1 3.42Å; E78-R86 PolarHBondContact OE1-NH1 2.87Å; E78-R86 IonicContact OE2-NH1 3.16Å; V82-R86 WeakPolarHBondContact O-CB 3.29Å; V82-R86 PolarHBondContact O-N 3.43Å; L83-R86 PolarHBondContact O-N 3.22Å; F84-R86 VanDerWaalsContact C-N 3.32Å; F84-R86 PolarHBondContact O-N 3.28Å; R86-E588 HydrophobicContact CG-CB 4.46Å; R86-E588 PolarHBondContact O-N 3.31Å; R86-E588 VanDerWaalsContact O-N 3.1Å; R86-Y589 WeakPolarHBondContact O-CB 3.46Å; R86-Y589 PolarHBondContact O-N 3.09Å
87Y89Confident90.4Very high27 Ų2720.1 Ų20.111%0.1069%0.09CC..Hα-helixtrans-104.5-46.3-173.7-72.7-82.5000113.4L83 F84 E85 V478 H481 L482 K586 G587 Y589L83-Y87 HydrophobicContact CD1-CD2 3.83Å; L83-Y87 HydrophobicContact CD1-CE2 3.66Å; L83-Y87 HydrophobicContact CG-CD2 4.38Å; L83-Y87 WeakPolarHBondContact O-CD2 3.4Å; L83-Y87 PolarHBondContact O-N 3.03Å; F84-Y87 PolarHBondContact O-N 3.05Å; E85-Y87 PolarHBondContact O-N 3.33Å; Y87-V478 HydrophobicContact CD2-CG1 4Å; Y87-V478 HydrophobicContact CD2-CG2 4.37Å; Y87-V478 HydrophobicContact CE2-CG1 4.33Å; Y87-V478 HydrophobicContact CG-CG1 4.26Å; Y87-V478 HydrophobicContact CG-CG2 4.26Å; Y87-H481 HydrophobicContact CD1-CB 4.21Å; Y87-L482 HydrophobicContact CE1-CD2 4.37Å; Y87-L482 WeakPolarHBondContact OH-CD2 3.48Å; Y87-K586 CarbonylContact O-C 3.19Å; Y87-K586 WeakPolarHBondContact O-CA 3.42Å; Y87-K586 VanDerWaalsContact O-O 3.11Å; Y87-G587 PolarHBondContact O-N 3.23Å; Y87-Y589 HydrophobicContact CD1-CD1 4.45Å; Y87-Y589 HydrophobicContact CD1-CG 4.34Å; Y87-Y589 HydrophobicContact CE1-CD1 4.49Å; Y87-Y589 HydrophobicContact CE1-CD2 4.4Å; Y87-Y589 HydrophobicContact CE1-CG 4.22Å
88V90.1Very high90.7Very high4 Ų416.6 Ų16.62%0.0248%0.077CC..  trans-147.582.3-174.9-168.20000111.5F84 I90 F91F84-V88 CarbonylContact O-C 2.87Å; F84-V88 VanDerWaalsContact O-CA 3.32Å; F84-V88 WeakPolarHBondContact O-CA 3.19Å; F84-V88 PolarHBondContact O-N 3.29Å; V88-I90 HydrophobicContact CG1-CG2 3.63Å; V88-I90 PolarHBondContact O-N 2.67Å; V88-I90 VanDerWaalsContact O-N 3.11Å; V88-F91 HydrophobicContact CB-CD2 3.91Å; V88-F91 HydrophobicContact CG1-CD2 3.31Å; V88-F91 HydrophobicContact CG1-CE2 3.77Å; V88-F91 HydrophobicContact CG1-CG 4.33Å; V88-F91 PolarHBondContact O-N 2.99Å
89P89.2Confident91Very high0 Ų015.2 Ų15.20%07%0.072CC..Hα-helixtrans-53.6-31.4-176.5-28.530.7000115.6E85 F91 N92 T566 Y583 L584E85-P89 WeakPolarHBondContact O-CG 3.26Å; P89-F91 PolarHBondContact O-N 3.42Å; P89-N92 WeakPolarHBondContact O-CB 3.44Å; P89-N92 PolarHBondContact O-N 2.78Å; P89-T566 HydrophobicContact CB-CG2 3.93Å; P89-T566 WeakPolarHBondContact O-CG2 3.36Å; P89-Y583 HydrophobicContact CB-CE1 4.33Å; P89-Y583 WeakPolarHBondContact CD-O 3Å; P89-Y583 HydrophobicContact CG-CD1 4.16Å; P89-Y583 HydrophobicContact CG-CE1 3.89Å; P89-Y583 WeakPolarHBondContact CG-O 3.15Å; P89-L584 VanDerWaalsContact CD-O 3.29Å; P89-L584 WeakPolarHBondContact CD-O 3.17Å
90I89.5Confident91.3Very high48 Ų4816.3 Ų16.325%0.2468%0.077CC..Hα-helixtrans-61.4-33.4178.8-169163.5000112.4V88 N92 L584 F585V88-I90 HydrophobicContact CG1-CG2 3.63Å; V88-I90 PolarHBondContact O-N 2.67Å; V88-I90 VanDerWaalsContact O-N 3.11Å; I90-N92 VanDerWaalsContact C-N 3.26Å; I90-N92 PolarHBondContact O-N 3.44Å; I90-L584 PolarHBondContact N-O 3.45Å; I90-F585 HydrophobicContact CD1-CZ 4.26Å; I90-F585 HydrophobicContact CG2-CD1 4.42Å; I90-F585 HydrophobicContact CG2-CE1 4.37Å
91F91.1Very high91.2Very high40 Ų4016.6 Ų16.618%0.1758%0.079CC..Hα-helixtrans-78.2-11.4176.6-70.2-61.8000113.2F84 V88 P89 I93 F94 G470 A473 T477F84-F91 HydrophobicContact CD2-CB 4.34Å; F84-F91 HydrophobicContact CG-CB 4.42Å; V88-F91 HydrophobicContact CB-CD2 3.91Å; V88-F91 HydrophobicContact CG1-CD2 3.31Å; V88-F91 HydrophobicContact CG1-CE2 3.77Å; V88-F91 HydrophobicContact CG1-CG 4.33Å; V88-F91 PolarHBondContact O-N 2.99Å; P89-F91 PolarHBondContact O-N 3.42Å; F91-I93 PolarHBondContact O-N 3.15Å; F91-F94 AromaticContact CD1-CD2 3.86Å; F91-F94 HydrophobicContact CD1-CD2 3.86Å; F91-F94 AromaticContact CD1-CE2 3.85Å; F91-F94 HydrophobicContact CD1-CE2 3.85Å; F91-F94 HydrophobicContact CE1-CE2 4.33Å; F91-F94 PolarHBondContact O-N 3.49Å; F91-F94 VanDerWaalsContact O-N 3.08Å; F91-G470 VanDerWaalsContact CD1-O 3.28Å; F91-G470 WeakPolarHBondContact CD1-O 3.37Å; F91-A473 HydrophobicContact CD1-CB 4.24Å; F91-A473 HydrophobicContact CE1-CB 3.46Å; F91-A473 VanDerWaalsContact CE1-CB 3.46Å; F91-A473 HydrophobicContact CE2-CB 4.44Å; F91-A473 HydrophobicContact CZ-CB 3.6Å; F91-T477 HydrophobicContact CE2-CG2 4.03Å
92N91.3Very high91.3Very high0 Ų016.2 Ų16.20%08%0.077CC..Hα-helixtrans-62.1-26.9176.1-165.318000112L81 F84 P89 I90 F94 S95 V96L81-N92 WeakPolarHBondContact CA-OD1 3.42Å; L81-N92 VanDerWaalsContact CD2-OD1 3.26Å; L81-N92 WeakPolarHBondContact CD2-OD1 3.35Å; L81-N92 PolarHBondContact O-OD1 3.39Å; F84-N92 HydrophobicContact CB-CB 4.23Å; P89-N92 WeakPolarHBondContact O-CB 3.44Å; P89-N92 PolarHBondContact O-N 2.78Å; I90-N92 VanDerWaalsContact C-N 3.26Å; I90-N92 PolarHBondContact O-N 3.44Å; N92-F94 PolarHBondContact O-N 3.27Å; N92-S95 VanDerWaalsContact CA-OG 3.3Å; N92-S95 WeakPolarHBondContact CA-OG 3.39Å; N92-S95 PolarHBondContact O-N 2.9Å; N92-S95 PolarHBondContact O-OG 2.86Å; N92-S95 PolarHBondContact OD1-OG 3.08Å; N92-V96 WeakPolarHBondContact O-CG2 3.32Å; N92-V96 PolarHBondContact O-N 2.91Å; N92-V96 VanDerWaalsContact O-N 3.09Å
93I92.3Very high91.5Very high11 Ų1117.2 Ų17.26%0.0568%0.08CC..Hα-helixtrans-53.8-43.7173.1-67.4166.8000111F91 S95 V96 I97 I559 F563F91-I93 PolarHBondContact O-N 3.15Å; I93-S95 PolarHBondContact O-N 2.95Å; I93-V96 WeakPolarHBondContact O-CB 3.23Å; I93-V96 PolarHBondContact O-N 2.9Å; I93-I97 HydrophobicContact CG2-CD1 3.97Å; I93-I97 WeakPolarHBondContact O-CG1 3.23Å; I93-I97 PolarHBondContact O-N 2.84Å; I93-I559 HydrophobicContact CG2-CB 4.28Å; I93-I559 HydrophobicContact CG2-CG1 3.89Å; I93-F563 HydrophobicContact CD1-CD1 4.06Å; I93-F563 HydrophobicContact CD1-CD2 3.83Å; I93-F563 HydrophobicContact CD1-CE1 3.84Å; I93-F563 HydrophobicContact CD1-CE2 3.59Å; I93-F563 HydrophobicContact CD1-CG 4.05Å; I93-F563 HydrophobicContact CD1-CZ 3.6Å
94F92.2Very high91.5Very high50 Ų5018.5 Ų18.522%0.2199%0.087CC..Hα-helixtrans-72.8-29.2-177.1-60.6-80.1000113.2F91 N92 I97 A98 I466 G470 Q471F91-F94 AromaticContact CD1-CD2 3.86Å; F91-F94 HydrophobicContact CD1-CD2 3.86Å; F91-F94 AromaticContact CD1-CE2 3.85Å; F91-F94 HydrophobicContact CD1-CE2 3.85Å; F91-F94 HydrophobicContact CE1-CE2 4.33Å; F91-F94 PolarHBondContact O-N 3.49Å; F91-F94 VanDerWaalsContact O-N 3.08Å; N92-F94 PolarHBondContact O-N 3.27Å; F94-I97 HydrophobicContact CD1-CD1 4.09Å; F94-I97 PolarHBondContact O-N 3.21Å; F94-A98 WeakPolarHBondContact O-CB 3.45Å; F94-A98 PolarHBondContact O-N 2.85Å; F94-I466 HydrophobicContact CD1-CG2 4.38Å; F94-I466 WeakPolarHBondContact CD1-O 3.35Å; F94-I466 HydrophobicContact CE1-CG2 3.98Å; F94-G470 VanDerWaalsContact CD2-CA 3.44Å; F94-G470 VanDerWaalsContact CG-CA 3.42Å; F94-Q471 HydrophobicContact CB-CG 4.29Å
95S92.1Very high91.6Very high0 Ų020 Ų200%09%0.093CC..Hα-helixtrans-68.7-35.2169.633.20000112.5N92 I93 A98 V99N92-S95 VanDerWaalsContact CA-OG 3.3Å; N92-S95 WeakPolarHBondContact CA-OG 3.39Å; N92-S95 PolarHBondContact O-N 2.9Å; N92-S95 PolarHBondContact O-OG 2.86Å; N92-S95 PolarHBondContact OD1-OG 3.08Å; I93-S95 PolarHBondContact O-N 2.95Å; S95-A98 WeakPolarHBondContact O-CB 3.42Å; S95-A98 PolarHBondContact O-N 3.4Å; S95-V99 WeakPolarHBondContact O-CG2 3.32Å; S95-V99 PolarHBondContact O-N 3.15Å
96V93.5Very high91.8Very high11 Ų1120 Ų207%0.0679%0.093CC..Hα-helixtrans-64.9-44.6172.81780000110.4L81 N92 I93 A98 V99 L100 I561 M565L81-V96 HydrophobicContact CD2-CG2 3.64Å; N92-V96 WeakPolarHBondContact O-CG2 3.32Å; N92-V96 PolarHBondContact O-N 2.91Å; N92-V96 VanDerWaalsContact O-N 3.09Å; I93-V96 WeakPolarHBondContact O-CB 3.23Å; I93-V96 PolarHBondContact O-N 2.9Å; V96-A98 VanDerWaalsContact C-N 3.28Å; V96-A98 PolarHBondContact O-N 2.92Å; V96-V99 PolarHBondContact O-N 3.45Å; V96-V99 VanDerWaalsContact O-N 3.16Å; V96-L100 HydrophobicContact CG1-CD1 4.37Å; V96-L100 PolarHBondContact O-N 3.24Å; V96-I561 HydrophobicContact CG1-CB 4.05Å; V96-I561 HydrophobicContact CG1-CG2 3.8Å; V96-M565 HydrophobicContact CG2-CE 4.39Å; V96-M565 HydrophobicContact CG2-SD 3.75Å
97I93Very high92.1Very high3 Ų317.3 Ų17.32%0.0158%0.084CC..Hα-helixtrans-58-41.8174.3-62.5164.9000110.7I93 F94 V99 L100 A101 P467 I555 I559I93-I97 HydrophobicContact CG2-CD1 3.97Å; I93-I97 WeakPolarHBondContact O-CG1 3.23Å; I93-I97 PolarHBondContact O-N 2.84Å; F94-I97 HydrophobicContact CD1-CD1 4.09Å; F94-I97 PolarHBondContact O-N 3.21Å; I97-V99 PolarHBondContact O-N 2.73Å; I97-L100 PolarHBondContact O-N 3.19Å; I97-A101 VanDerWaalsContact O-CB 3.31Å; I97-A101 WeakPolarHBondContact O-CB 3.42Å; I97-A101 PolarHBondContact O-N 2.9Å; I97-P467 HydrophobicContact CB-CB 4.33Å; I97-P467 HydrophobicContact CG2-CB 3.82Å; I97-P467 HydrophobicContact CG2-CG 3.98Å; I97-I555 HydrophobicContact CD1-CG2 4.21Å; I97-I555 HydrophobicContact CG2-CG1 4.11Å; I97-I559 HydrophobicContact CD1-CG1 4.03Å
98A91.9Very high92.3Very high3 Ų316.8 Ų16.83%0.0258%0.083CC..Hα-helixtrans-62.4-39.8177.300000112.8F94 S95 V96 A101 N102F94-A98 WeakPolarHBondContact O-CB 3.45Å; F94-A98 PolarHBondContact O-N 2.85Å; S95-A98 WeakPolarHBondContact O-CB 3.42Å; S95-A98 PolarHBondContact O-N 3.4Å; V96-A98 VanDerWaalsContact C-N 3.28Å; V96-A98 PolarHBondContact O-N 2.92Å; A98-A101 PolarHBondContact O-N 3.37Å; A98-N102 VanDerWaalsContact O-CG 3.29Å; A98-N102 PolarHBondContact O-N 3.43Å; A98-N102 PolarHBondContact O-ND2 3.42Å
99V93.5Very high92.6Very high12 Ų1216.9 Ų16.97%0.0739%0.085CC..Hα-helixtrans-64.9-42.6175172.50000111S95 V96 I97 N102 F103 H406 I407S95-V99 WeakPolarHBondContact O-CG2 3.32Å; S95-V99 PolarHBondContact O-N 3.15Å; V96-V99 PolarHBondContact O-N 3.45Å; V96-V99 VanDerWaalsContact O-N 3.16Å; I97-V99 PolarHBondContact O-N 2.73Å; V99-N102 WeakPolarHBondContact O-CB 3.4Å; V99-N102 PolarHBondContact O-N 3.35Å; V99-F103 HydrophobicContact CG1-CE1 4.3Å; V99-F103 HydrophobicContact CG1-CE2 4.33Å; V99-F103 HydrophobicContact CG1-CZ 3.95Å; V99-F103 PolarHBondContact O-N 3.24Å; V99-H406 HydrophobicContact CG2-CB 4.27Å; V99-I407 HydrophobicContact CG1-CD1 4Å; V99-I407 HydrophobicContact CG1-CG1 4.15Å
100L92.8Very high92.9Very high25 Ų2516.9 Ų16.913%0.1319%0.085CC..Hα-helixtrans-66.3-38.1175.6-68173.8000112.3V96 I97 N102 F103 I104 P554 L557 G558V96-L100 HydrophobicContact CG1-CD1 4.37Å; V96-L100 PolarHBondContact O-N 3.24Å; I97-L100 PolarHBondContact O-N 3.19Å; L100-N102 VanDerWaalsContact C-N 3.29Å; L100-N102 PolarHBondContact O-N 2.68Å; L100-F103 HydrophobicContact CD2-CD2 3.91Å; L100-F103 HydrophobicContact CD2-CE2 4.08Å; L100-F103 WeakPolarHBondContact O-CB 3.32Å; L100-F103 PolarHBondContact O-N 2.94Å; L100-F103 VanDerWaalsContact O-N 3.14Å; L100-I104 PolarHBondContact O-N 2.92Å; L100-P554 HydrophobicContact CB-CB 4.34Å; L100-P554 VanDerWaalsContact CD1-O 3.27Å; L100-P554 WeakPolarHBondContact CD1-O 3.39Å; L100-L557 HydrophobicContact CD1-CB 4.16Å; L100-L557 HydrophobicContact CD1-CD2 4.17Å; L100-L557 HydrophobicContact CD1-CG 4.07Å; L100-L557 HydrophobicContact CD2-CD2 4.25Å; L100-G558 VanDerWaalsContact CD1-CA 3.42Å; L100-G558 VanDerWaalsContact CD1-N 3.35Å
101A91.1Very high93.1Very high7 Ų714.6 Ų14.66%0.0587%0.073CC..Hα-helixtrans-62.8-37.3174.300000111.8I97 A98 F103 I104 K105 M464I97-A101 VanDerWaalsContact O-CB 3.31Å; I97-A101 WeakPolarHBondContact O-CB 3.42Å; I97-A101 PolarHBondContact O-N 2.9Å; A98-A101 PolarHBondContact O-N 3.37Å; A101-F103 VanDerWaalsContact C-N 3.3Å; A101-F103 PolarHBondContact O-N 3Å; A101-I104 PolarHBondContact O-N 2.94Å; A101-K105 PolarHBondContact O-N 3.48Å; A101-K105 VanDerWaalsContact O-N 3.08Å; A101-M464 HydrophobicContact CB-CE 3.81Å; A101-M464 HydrophobicContact CB-SD 3.97Å
102N93.1Very high93.3Very high1 Ų113.2 Ų13.21%0.0057%0.067CC..Hα-helixtrans-64.9-32.3173.5-74-21.2000112.8A98 V99 L100 K105 F106 N300 I399 T403A98-N102 VanDerWaalsContact O-CG 3.29Å; A98-N102 PolarHBondContact O-N 3.43Å; A98-N102 PolarHBondContact O-ND2 3.42Å; V99-N102 WeakPolarHBondContact O-CB 3.4Å; V99-N102 PolarHBondContact O-N 3.35Å; L100-N102 VanDerWaalsContact C-N 3.29Å; L100-N102 PolarHBondContact O-N 2.68Å; N102-K105 PolarHBondContact O-N 3.06Å; N102-F106 VanDerWaalsContact O-CB 3.26Å; N102-F106 WeakPolarHBondContact O-CB 3.4Å; N102-F106 PolarHBondContact O-N 3.03Å; N102-N300 PolarHBondContact ND2-O 3Å; N102-N300 WeakPolarHBondContact OD1-CB 3.49Å; N102-N300 PolarHBondContact OD1-ND2 2.93Å; N102-N300 PolarHBondContact OD1-OD1 2.88Å; N102-I399 HydrophobicContact CB-CG2 3.83Å; N102-T403 HydrophobicContact CB-CG2 3.3Å; N102-T403 VanDerWaalsContact ND2-CG2 3.32Å; N102-T403 WeakPolarHBondContact ND2-CG2 3.46Å
103F94.3Very high93.6Very high39 Ų3913.2 Ų13.217%0.1717%0.067CC..Hα-helixtrans-63-41.2174.3-67.7-20.9000112.3V99 L100 A101 F106 I107 I407 I433 L437V99-F103 HydrophobicContact CG1-CE1 4.3Å; V99-F103 HydrophobicContact CG1-CE2 4.33Å; V99-F103 HydrophobicContact CG1-CZ 3.95Å; V99-F103 PolarHBondContact O-N 3.24Å; L100-F103 HydrophobicContact CD2-CD2 3.91Å; L100-F103 HydrophobicContact CD2-CE2 4.08Å; L100-F103 WeakPolarHBondContact O-CB 3.32Å; L100-F103 PolarHBondContact O-N 2.94Å; L100-F103 VanDerWaalsContact O-N 3.14Å; A101-F103 VanDerWaalsContact C-N 3.3Å; A101-F103 PolarHBondContact O-N 3Å; F103-F106 WeakPolarHBondContact O-CB 3.38Å; F103-F106 PolarHBondContact O-N 3.31Å; F103-I107 WeakPolarHBondContact O-CG1 3.4Å; F103-I107 PolarHBondContact O-N 3.24Å; F103-I407 HydrophobicContact CE1-CD1 4.32Å; F103-I407 HydrophobicContact CZ-CD1 3.88Å; F103-I433 HydrophobicContact CE1-CG2 3.96Å; F103-L437 HydrophobicContact CB-CD1 4.47Å; F103-L437 HydrophobicContact CB-CD2 3.61Å; F103-L437 HydrophobicContact CD1-CD1 3.79Å; F103-L437 HydrophobicContact CD1-CD2 4.11Å; F103-L437 HydrophobicContact CD1-CG 4.49Å; F103-L437 HydrophobicContact CD2-CD2 4.47Å; F103-L437 HydrophobicContact CE1-CD1 4.41Å; F103-L437 HydrophobicContact CG-CD1 4.35Å; F103-L437 HydrophobicContact CG-CD2 3.84Å
104I92.5Very high93.7Very high30 Ų3012.7 Ų12.715%0.1546%0.064CC..Hα-helixtrans-65.6-47.4174.8-66.6166.1000110.8L100 A101 F106 I107 I108 I456 V460 P554L100-I104 PolarHBondContact O-N 2.92Å; A101-I104 PolarHBondContact O-N 2.94Å; I104-F106 PolarHBondContact O-N 3.25Å; I104-I107 PolarHBondContact O-N 2.76Å; I104-I107 VanDerWaalsContact O-N 3.17Å; I104-I108 HydrophobicContact CG2-CD1 3.73Å; I104-I108 HydrophobicContact CG2-CG1 4.31Å; I104-I108 WeakPolarHBondContact O-CG1 3.32Å; I104-I108 PolarHBondContact O-N 3.48Å; I104-I456 HydrophobicContact CG2-CG2 3.97Å; I104-V460 HydrophobicContact CD1-CG1 4.36Å; I104-V460 HydrophobicContact CG2-CG1 4.04Å; I104-V460 HydrophobicContact CG2-CG2 4.43Å; I104-P554 HydrophobicContact CD1-CB 4.03Å; I104-P554 HydrophobicContact CD1-CG 3.24Å; I104-P554 HydrophobicContact CG1-CG 4.48Å
105K92.4Very high93.8Very high30 Ų3010.4 Ų10.413%0.135%0.054CC..Hα-helixtrans-57.8-34.4176-74.3-176.3173.1-179.30112.2A101 N102 G109 N300A101-K105 PolarHBondContact O-N 3.48Å; A101-K105 VanDerWaalsContact O-N 3.08Å; N102-K105 PolarHBondContact O-N 3.06Å; K105-G109 PolarHBondContact O-N 2.51Å; K105-N300 VanDerWaalsContact CD-ND2 3.31Å; K105-N300 WeakPolarHBondContact CD-ND2 3.35Å; K105-N300 PolarHBondContact NZ-ND2 3.08Å; K105-N300 PolarHBondContact NZ-OD1 3.15Å
106F95.1Very high94Very high3 Ų310.4 Ų10.41%0.0135%0.054CC..Hα-helixtrans-66.7-47.8177-171.2-98.7000112.2N102 F103 I104 G109 A110 F204 I207 Q396 L400 L437N102-F106 VanDerWaalsContact O-CB 3.26Å; N102-F106 WeakPolarHBondContact O-CB 3.4Å; N102-F106 PolarHBondContact O-N 3.03Å; F103-F106 WeakPolarHBondContact O-CB 3.38Å; F103-F106 PolarHBondContact O-N 3.31Å; I104-F106 PolarHBondContact O-N 3.25Å; F106-G109 PolarHBondContact O-N 2.68Å; F106-A110 WeakPolarHBondContact O-CB 3.48Å; F106-A110 PolarHBondContact O-N 3.14Å; F106-F204 HydrophobicContact CD1-CE1 4.31Å; F106-F204 HydrophobicContact CE1-CD1 4.07Å; F106-F204 AromaticContact CE1-CE1 3.6Å; F106-F204 HydrophobicContact CE1-CE1 3.6Å; F106-F204 HydrophobicContact CE1-CZ 4.46Å; F106-F204 HydrophobicContact CZ-CE1 4.48Å; F106-I207 HydrophobicContact CE2-CD1 4.17Å; F106-I207 HydrophobicContact CE2-CG2 3.72Å; F106-I207 HydrophobicContact CZ-CB 4.49Å; F106-I207 HydrophobicContact CZ-CD1 4.04Å; F106-I207 HydrophobicContact CZ-CG2 3.72Å; F106-Q396 VanDerWaalsContact CA-OE1 3.27Å; F106-Q396 HydrophobicContact CE2-CB 4.39Å; F106-Q396 PolarHBondContact O-OE1 3.36Å; F106-L400 HydrophobicContact CD2-CB 4.18Å; F106-L400 HydrophobicContact CE2-CB 3.73Å; F106-L400 HydrophobicContact CE2-CD1 4.38Å; F106-L400 HydrophobicContact CE2-CD2 3.99Å; F106-L400 HydrophobicContact CE2-CG 4.24Å; F106-L400 HydrophobicContact CZ-CB 4.49Å; F106-L400 HydrophobicContact CZ-CD1 4.49Å; F106-L400 HydrophobicContact CZ-CD2 3.95Å; F106-L437 HydrophobicContact CB-CD1 4.11Å; F106-L437 HydrophobicContact CD1-CB 3.93Å; F106-L437 HydrophobicContact CD1-CD1 3.32Å; F106-L437 HydrophobicContact CD1-CG 4.24Å; F106-L437 HydrophobicContact CE1-CB 4.23Å; F106-L437 HydrophobicContact CE1-CD1 3.93Å; F106-L437 HydrophobicContact CG-CD1 3.9Å
107I94.7Very high94.1Very high20 Ų2012.1 Ų12.110%0.1036%0.061CC..Hα-helixtrans-59.4-49.5177.9-70.9168.1000111F103 I104 G109 A110 Y111 L437 L440 L444F103-I107 WeakPolarHBondContact O-CG1 3.4Å; F103-I107 PolarHBondContact O-N 3.24Å; I104-I107 PolarHBondContact O-N 2.76Å; I104-I107 VanDerWaalsContact O-N 3.17Å; I107-G109 PolarHBondContact O-N 3.23Å; I107-A110 PolarHBondContact O-N 3.47Å; I107-Y111 PolarHBondContact O-N 3.42Å; I107-Y111 VanDerWaalsContact O-N 3.16Å; I107-L437 HydrophobicContact CD1-CD2 3.99Å; I107-L437 HydrophobicContact CG1-CB 4.2Å; I107-L437 HydrophobicContact CG1-CD2 4.18Å; I107-L440 HydrophobicContact CD1-CB 3.86Å; I107-L444 HydrophobicContact CG2-CD1 3.2Å
108I93.8Very high94.1Very high16 Ų1612.2 Ų12.28%0.0826%0.062CC..Hα-helixtrans-62.5-44.5178.9-63168000110.9I104 Y111 F112 I456I104-I108 HydrophobicContact CG2-CD1 3.73Å; I104-I108 HydrophobicContact CG2-CG1 4.31Å; I104-I108 WeakPolarHBondContact O-CG1 3.32Å; I104-I108 PolarHBondContact O-N 3.48Å; I108-Y111 WeakPolarHBondContact O-CB 3.45Å; I108-Y111 PolarHBondContact O-N 3.21Å; I108-F112 HydrophobicContact CG2-CD2 3.83Å; I108-F112 HydrophobicContact CG2-CE1 4.46Å; I108-F112 HydrophobicContact CG2-CE2 3.21Å; I108-F112 HydrophobicContact CG2-CZ 3.57Å; I108-F112 WeakPolarHBondContact O-CD2 3.4Å; I108-F112 PolarHBondContact O-N 2.85Å; I108-I456 HydrophobicContact CD1-CG2 3.38Å; I108-I456 HydrophobicContact CG1-CG2 3.98Å
109G94.7Very high94.2Very high5 Ų512 Ų125%0.0526%0.061CC..Hα-helixtrans-69.8-34.3-17800000114K105 F106 I107 Y111 F112 L113K105-G109 PolarHBondContact O-N 2.51Å; F106-G109 PolarHBondContact O-N 2.68Å; I107-G109 PolarHBondContact O-N 3.23Å; G109-Y111 VanDerWaalsContact C-N 3.31Å; G109-F112 PolarHBondContact O-N 2.83Å; G109-L113 WeakPolarHBondContact O-CB 3.36Å; G109-L113 PolarHBondContact O-N 2.87Å
110A95.6Very high94.3Very high0 Ų012.9 Ų12.90%07%0.065CC..Hα-helixtrans-64-38.1171.800000111.4F106 I107 L113 A114 F204 I207F106-A110 WeakPolarHBondContact O-CB 3.48Å; F106-A110 PolarHBondContact O-N 3.14Å; I107-A110 PolarHBondContact O-N 3.47Å; A110-L113 PolarHBondContact O-N 2.98Å; A110-A114 WeakPolarHBondContact O-CB 3.45Å; A110-A114 PolarHBondContact O-N 2.85Å; A110-F204 HydrophobicContact CB-CD2 4.45Å; A110-F204 HydrophobicContact CB-CE1 4.43Å; A110-F204 HydrophobicContact CB-CE2 3.73Å; A110-F204 HydrophobicContact CB-CZ 3.76Å; A110-I207 HydrophobicContact CB-CD1 4.34Å
111Y94.6Very high94.3Very high0 Ų016.8 Ų16.80%08%0.081CC..Hα-helixtrans-62.8-46.9172.6172.1-85.7000112.4I107 I108 G109 L113 A114 I115 L174 I196 W360 L444 I445 I453I107-Y111 PolarHBondContact O-N 3.42Å; I107-Y111 VanDerWaalsContact O-N 3.16Å; I108-Y111 WeakPolarHBondContact O-CB 3.45Å; I108-Y111 PolarHBondContact O-N 3.21Å; G109-Y111 VanDerWaalsContact C-N 3.31Å; Y111-L113 VanDerWaalsContact C-N 3.28Å; Y111-L113 PolarHBondContact O-N 2.87Å; Y111-A114 VanDerWaalsContact O-CB 3.32Å; Y111-A114 WeakPolarHBondContact O-CB 3.41Å; Y111-A114 PolarHBondContact O-N 3.16Å; Y111-A114 VanDerWaalsContact O-N 3.09Å; Y111-I115 HydrophobicContact CD1-CD1 4.03Å; Y111-I115 HydrophobicContact CD1-CG1 4.48Å; Y111-I115 HydrophobicContact CE1-CD1 3.19Å; Y111-I115 HydrophobicContact CE1-CG1 4.02Å; Y111-I115 HydrophobicContact CE2-CD1 4.33Å; Y111-I115 VanDerWaalsContact CZ-CD1 3.44Å; Y111-I115 PolarHBondContact O-N 3.32Å; Y111-L174 HydrophobicContact CE2-CD2 4.33Å; Y111-L174 WeakPolarHBondContact OH-CD2 3.08Å; Y111-I196 HydrophobicContact CE2-CD1 3.85Å; Y111-W360 AromaticContact CE1-CH2 3.94Å; Y111-W360 HydrophobicContact CE1-CH2 3.94Å; Y111-W360 AromaticContact CE1-CZ3 3.96Å; Y111-W360 HydrophobicContact CE1-CZ3 3.96Å; Y111-W360 WeakPolarHBondContact OH-CH2 3.43Å; Y111-L444 HydrophobicContact CD2-CB 4.19Å; Y111-L444 WeakPolarHBondContact CE2-O 3.41Å; Y111-I445 HydrophobicContact CD2-CG2 4.38Å; Y111-I453 HydrophobicContact CD1-CD1 3.07Å; Y111-I453 HydrophobicContact CD1-CG1 4.48Å; Y111-I453 HydrophobicContact CD2-CD1 3.79Å; Y111-I453 HydrophobicContact CE1-CD1 2.87Å; Y111-I453 HydrophobicContact CE1-CG1 4.36Å; Y111-I453 HydrophobicContact CE2-CD1 3.6Å; Y111-I453 HydrophobicContact CG-CD1 3.5Å
112F95.3Very high94.3Very high11 Ų1116.9 Ų16.95%0.0488%0.08CC..Hα-helixtrans-64-35.1177.3-63.4-36.8000112.6M33 I108 G109 A114 I115 S116 W360 L392 I453M33-F112 HydrophobicContact CB-CD2 3.63Å; M33-F112 HydrophobicContact CB-CE2 4.04Å; M33-F112 HydrophobicContact CB-CG 4.38Å; M33-F112 HydrophobicContact CG-CB 4.37Å; M33-F112 HydrophobicContact CG-CD2 3.48Å; M33-F112 VanDerWaalsContact CG-CD2 3.48Å; M33-F112 HydrophobicContact CG-CE2 3.75Å; M33-F112 HydrophobicContact CG-CG 3.91Å; M33-F112 HydrophobicContact CG-CZ 4.43Å; M33-F112 HydrophobicContact SD-CB 4.44Å; M33-F112 HydrophobicContact SD-CG 4.46Å; I108-F112 HydrophobicContact CG2-CD2 3.83Å; I108-F112 HydrophobicContact CG2-CE1 4.46Å; I108-F112 HydrophobicContact CG2-CE2 3.21Å; I108-F112 HydrophobicContact CG2-CZ 3.57Å; I108-F112 WeakPolarHBondContact O-CD2 3.4Å; I108-F112 PolarHBondContact O-N 2.85Å; G109-F112 PolarHBondContact O-N 2.83Å; F112-A114 VanDerWaalsContact C-N 3.35Å; F112-I115 PolarHBondContact O-N 3.3Å; F112-S116 PolarHBondContact O-N 3.1Å; F112-S116 PolarHBondContact O-OG 3.45Å; F112-W360 HydrophobicContact CD1-CE3 4.09Å; F112-W360 HydrophobicContact CE1-CB 3.64Å; F112-W360 AromaticContact CE1-CD2 3.67Å; F112-W360 HydrophobicContact CE1-CD2 3.67Å; F112-W360 AromaticContact CE1-CE3 3.67Å; F112-W360 HydrophobicContact CE1-CE3 3.67Å; F112-W360 AromaticContact CE1-CG 3.68Å; F112-W360 HydrophobicContact CE1-CG 3.68Å; F112-W360 HydrophobicContact CE1-CZ3 4.47Å; F112-W360 HydrophobicContact CZ-CB 3.61Å; F112-W360 HydrophobicContact CZ-CD2 4.39Å; F112-W360 AromaticContact CZ-CG 3.93Å; F112-W360 HydrophobicContact CZ-CG 3.93Å; F112-L392 HydrophobicContact CB-CD1 4.13Å; F112-I453 HydrophobicContact CE1-CG2 4.22Å; F112-I453 HydrophobicContact CZ-CG2 4.26Å
113L96.8Very high94.3Very high0 Ų016.9 Ų16.90%08%0.08CC..Hα-helixtrans-63.8-40.9172.2-178.559.6000111.4G109 A110 Y111 S116 F117 A203 I207 S389 L392 L393G109-L113 WeakPolarHBondContact O-CB 3.36Å; G109-L113 PolarHBondContact O-N 2.87Å; A110-L113 PolarHBondContact O-N 2.98Å; Y111-L113 VanDerWaalsContact C-N 3.28Å; Y111-L113 PolarHBondContact O-N 2.87Å; L113-S116 WeakPolarHBondContact O-CB 3.45Å; L113-S116 PolarHBondContact O-N 3.15Å; L113-F117 HydrophobicContact CD1-CD1 4.43Å; L113-F117 HydrophobicContact CD1-CE1 3.97Å; L113-F117 HydrophobicContact CD1-CE2 4.21Å; L113-F117 HydrophobicContact CD1-CZ 3.85Å; L113-F117 HydrophobicContact CD2-CE2 4.35Å; L113-F117 HydrophobicContact CD2-CZ 4.44Å; L113-F117 HydrophobicContact CG-CD2 4.37Å; L113-F117 HydrophobicContact CG-CE2 4Å; L113-F117 HydrophobicContact CG-CZ 4.13Å; L113-F117 PolarHBondContact O-N 2.99Å; L113-A203 HydrophobicContact CB-CB 4.16Å; L113-A203 HydrophobicContact CD2-CB 3.87Å; L113-A203 HydrophobicContact CG-CB 3.89Å; L113-I207 HydrophobicContact CD2-CD1 4.02Å; L113-I207 HydrophobicContact CD2-CG1 4.06Å; L113-S389 VanDerWaalsContact CD1-O 3.26Å; L113-S389 WeakPolarHBondContact CD1-O 3.37Å; L113-L392 HydrophobicContact CD1-CB 4.19Å; L113-L393 HydrophobicContact CD1-CB 4.06Å; L113-L393 HydrophobicContact CD2-CB 4.01Å; L113-L393 HydrophobicContact CD2-CD1 4.26Å
114A95.2Very high94.2Very high0 Ų020.7 Ų20.70%010%0.097CC..Hα-helixtrans-61.3-45.8176.200000112.2A110 Y111 F112 S116 F117 G118 P199 Y200 A203A110-A114 WeakPolarHBondContact O-CB 3.45Å; A110-A114 PolarHBondContact O-N 2.85Å; Y111-A114 VanDerWaalsContact O-CB 3.32Å; Y111-A114 WeakPolarHBondContact O-CB 3.41Å; Y111-A114 PolarHBondContact O-N 3.16Å; Y111-A114 VanDerWaalsContact O-N 3.09Å; F112-A114 VanDerWaalsContact C-N 3.35Å; A114-S116 VanDerWaalsContact C-N 3.3Å; A114-S116 PolarHBondContact O-N 2.78Å; A114-F117 PolarHBondContact O-N 3.47Å; A114-G118 PolarHBondContact O-N 3.38Å; A114-P199 HydrophobicContact CB-CB 4.46Å; A114-P199 WeakPolarHBondContact O-CB 3.41Å; A114-Y200 HydrophobicContact CB-CD2 4.45Å; A114-A203 HydrophobicContact CB-CB 4.39Å
115I94.3Very high94Very high2 Ų222.2 Ų22.21%0.0110%0.101CC..Hα-helixtrans-60.3-44.1174.5-66.3-175.1000110.6Y111 F112 F117 G118 Y119 I169 L174 W360 F364Y111-I115 HydrophobicContact CD1-CD1 4.03Å; Y111-I115 HydrophobicContact CD1-CG1 4.48Å; Y111-I115 HydrophobicContact CE1-CD1 3.19Å; Y111-I115 HydrophobicContact CE1-CG1 4.02Å; Y111-I115 HydrophobicContact CE2-CD1 4.33Å; Y111-I115 VanDerWaalsContact CZ-CD1 3.44Å; Y111-I115 PolarHBondContact O-N 3.32Å; F112-I115 PolarHBondContact O-N 3.3Å; I115-F117 VanDerWaalsContact C-N 3.3Å; I115-F117 PolarHBondContact O-N 2.95Å; I115-G118 WeakPolarHBondContact O-CA 3.45Å; I115-G118 PolarHBondContact O-N 2.92Å; I115-Y119 HydrophobicContact CG2-CD2 3.77Å; I115-Y119 HydrophobicContact CG2-CE2 3.77Å; I115-Y119 WeakPolarHBondContact O-CD2 3.45Å; I115-Y119 PolarHBondContact O-N 3.05Å; I115-I169 HydrophobicContact CG2-CD1 4.1Å; I115-L174 HydrophobicContact CD1-CD2 4.36Å; I115-W360 HydrophobicContact CD1-CE3 4.47Å; I115-W360 HydrophobicContact CD1-CH2 3.99Å; I115-W360 HydrophobicContact CD1-CZ3 3.47Å; I115-W360 VanDerWaalsContact CD1-CZ3 3.47Å; I115-F364 HydrophobicContact CB-CE2 4.45Å; I115-F364 HydrophobicContact CB-CZ 4.13Å; I115-F364 HydrophobicContact CG2-CD1 3.97Å; I115-F364 HydrophobicContact CG2-CD2 4.13Å; I115-F364 HydrophobicContact CG2-CE1 3.73Å; I115-F364 HydrophobicContact CG2-CE2 3.85Å; I115-F364 HydrophobicContact CG2-CG 4.19Å; I115-F364 HydrophobicContact CG2-CZ 3.66Å
116S96Very high93.6Very high0 Ų025.2 Ų25.20%012%0.119CC..Hα-helixtrans-59.8-39.9178.4-55.90000112.3F112 L113 A114 Y119 L120 F364 L392F112-S116 PolarHBondContact O-N 3.1Å; F112-S116 PolarHBondContact O-OG 3.45Å; L113-S116 WeakPolarHBondContact O-CB 3.45Å; L113-S116 PolarHBondContact O-N 3.15Å; A114-S116 VanDerWaalsContact C-N 3.3Å; A114-S116 PolarHBondContact O-N 2.78Å; S116-Y119 PolarHBondContact O-N 2.83Å; S116-L120 WeakPolarHBondContact O-CB 3.35Å; S116-L120 PolarHBondContact O-N 2.93Å; S116-F364 WeakPolarHBondContact OG-CZ 3.37Å; S116-L392 WeakPolarHBondContact OG-CD1 3.47Å
117F95.5Very high92.9Very high47 Ų4727.2 Ų27.221%0.20613%0.133CC..Hα-helixtrans-66.6-36.9172.2-72.7-20.7000113L113 A114 I115 L120 F121 P199 A203 L393L113-F117 HydrophobicContact CD1-CD1 4.43Å; L113-F117 HydrophobicContact CD1-CE1 3.97Å; L113-F117 HydrophobicContact CD1-CE2 4.21Å; L113-F117 HydrophobicContact CD1-CZ 3.85Å; L113-F117 HydrophobicContact CD2-CE2 4.35Å; L113-F117 HydrophobicContact CD2-CZ 4.44Å; L113-F117 HydrophobicContact CG-CD2 4.37Å; L113-F117 HydrophobicContact CG-CE2 4Å; L113-F117 HydrophobicContact CG-CZ 4.13Å; L113-F117 PolarHBondContact O-N 2.99Å; A114-F117 PolarHBondContact O-N 3.47Å; I115-F117 VanDerWaalsContact C-N 3.3Å; I115-F117 PolarHBondContact O-N 2.95Å; F117-L120 PolarHBondContact O-N 3.11Å; F117-F121 PolarHBondContact O-N 2.61Å; F117-P199 HydrophobicContact CB-CB 3.82Å; F117-A203 HydrophobicContact CD2-CB 4.41Å; F117-A203 HydrophobicContact CE2-CB 4.35Å; F117-L393 HydrophobicContact CZ-CD1 4.43Å
118G93.2Very high92.1Very high5 Ų532.8 Ų32.85%0.05216%0.163CC..Hα-helixtrans-58.4-49.3172.200000112.2A114 I115 L120 F121 F122A114-G118 PolarHBondContact O-N 3.38Å; I115-G118 WeakPolarHBondContact O-CA 3.45Å; I115-G118 PolarHBondContact O-N 2.92Å; G118-L120 VanDerWaalsContact C-N 3.35Å; G118-L120 PolarHBondContact O-N 3.04Å; G118-F121 WeakPolarHBondContact O-CB 3.39Å; G118-F121 PolarHBondContact O-N 3.22Å; G118-F122 WeakPolarHBondContact O-CD2 3.27Å; G118-F122 PolarHBondContact O-N 3.09Å
119Y94.5Very high91Very high0 Ų034.3 Ų34.30%018%0.183CC..Hα-helixtrans-63.2-39.4175.6-87.6-91.2000113.1I115 S116 F121 F122 T123 W139 F168 I169 I173 F364 F385I115-Y119 HydrophobicContact CG2-CD2 3.77Å; I115-Y119 HydrophobicContact CG2-CE2 3.77Å; I115-Y119 WeakPolarHBondContact O-CD2 3.45Å; I115-Y119 PolarHBondContact O-N 3.05Å; S116-Y119 PolarHBondContact O-N 2.83Å; Y119-F121 VanDerWaalsContact C-N 3.3Å; Y119-F121 PolarHBondContact O-N 3.34Å; Y119-F122 PolarHBondContact O-N 3.05Å; Y119-T123 PolarHBondContact O-N 3.36Å; Y119-T123 PolarHBondContact O-OG1 3.31Å; Y119-W139 HydrophobicContact CD1-CE3 4.48Å; Y119-W139 HydrophobicContact CD1-CZ3 4.31Å; Y119-F168 HydrophobicContact CD1-CE1 4.38Å; Y119-F168 HydrophobicContact CE1-CD1 4.09Å; Y119-F168 AromaticContact CE1-CE1 3.88Å; Y119-F168 HydrophobicContact CE1-CE1 3.88Å; Y119-F168 AromaticContact CZ-CE1 4Å; Y119-I169 HydrophobicContact CE2-CD1 3.85Å; Y119-I169 HydrophobicContact CE2-CG1 4.33Å; Y119-I169 WeakPolarHBondContact OH-CB 3.34Å; Y119-I173 HydrophobicContact CD2-CD1 4.02Å; Y119-I173 HydrophobicContact CE2-CD1 3.59Å; Y119-F364 AromaticContact CD2-CD1 3.67Å; Y119-F364 HydrophobicContact CD2-CD1 3.67Å; Y119-F364 HydrophobicContact CD2-CE1 4.22Å; Y119-F364 HydrophobicContact CD2-CG 4.4Å; Y119-F364 HydrophobicContact CE2-CB 3.96Å; Y119-F364 AromaticContact CE2-CD1 3.77Å; Y119-F364 HydrophobicContact CE2-CD1 3.77Å; Y119-F364 HydrophobicContact CE2-CG 4.04Å; Y119-F364 HydrophobicContact CG-CD1 4.2Å; Y119-F385 HydrophobicContact CD1-CD1 4.48Å; Y119-F385 AromaticContact CD1-CE1 3.67Å; Y119-F385 HydrophobicContact CD1-CE1 3.67Å; Y119-F385 AromaticContact CD1-CE2 3.9Å; Y119-F385 HydrophobicContact CD1-CE2 3.9Å; Y119-F385 AromaticContact CD1-CZ 3.33Å; Y119-F385 HydrophobicContact CD1-CZ 3.33Å; Y119-F385 HydrophobicContact CE1-CE1 4.47Å; Y119-F385 HydrophobicContact CE1-CZ 4.09Å; Y119-F385 HydrophobicContact CG-CD1 4.15Å; Y119-F385 AromaticContact CG-CE1 3.69Å; Y119-F385 HydrophobicContact CG-CE1 3.69Å; Y119-F385 HydrophobicContact CG-CE2 4.39Å; Y119-F385 AromaticContact CG-CZ 3.83Å; Y119-F385 HydrophobicContact CG-CZ 3.83Å
120L95.2Very high90Very high29 Ų2944.7 Ų44.715%0.15222%0.22CC..Hα-helixtrans-60.9-41.4175.4-175.963.4000111.2S116 F117 G118 T123 F124 A382 F385 L386S116-L120 WeakPolarHBondContact O-CB 3.35Å; S116-L120 PolarHBondContact O-N 2.93Å; F117-L120 PolarHBondContact O-N 3.11Å; G118-L120 VanDerWaalsContact C-N 3.35Å; G118-L120 PolarHBondContact O-N 3.04Å; L120-T123 WeakPolarHBondContact O-CB 3.45Å; L120-T123 PolarHBondContact O-N 3.26Å; L120-F124 HydrophobicContact CD1-CE2 4.04Å; L120-F124 WeakPolarHBondContact O-CD2 3.46Å; L120-A382 HydrophobicContact CD1-CB 4.34Å; L120-F385 HydrophobicContact CB-CB 4.2Å; L120-F385 HydrophobicContact CD1-CB 4.28Å; L120-L386 HydrophobicContact CD1-CB 3.94Å; L120-L386 HydrophobicContact CD1-CD1 4.49Å; L120-L386 HydrophobicContact CD2-CB 4.33Å; L120-L386 HydrophobicContact CD2-CD1 4.28Å; L120-L386 HydrophobicContact CD2-CG 4.35Å
121F92.8Very high88.9Confident107 Ų10746 Ų4647%0.46923%0.228SC..Hα-helixtrans-62.6-50.8175.4175.3-98.8000111.9F117 G118 Y119 T123 F124 Y125 L195F117-F121 PolarHBondContact O-N 2.61Å; G118-F121 WeakPolarHBondContact O-CB 3.39Å; G118-F121 PolarHBondContact O-N 3.22Å; Y119-F121 VanDerWaalsContact C-N 3.3Å; Y119-F121 PolarHBondContact O-N 3.34Å; F121-T123 PolarHBondContact O-N 3.27Å; F121-F124 PolarHBondContact O-N 3.14Å; F121-F124 VanDerWaalsContact O-N 3.08Å; F121-Y125 HydrophobicContact CE1-CD2 4.4Å; F121-Y125 PolarHBondContact O-N 2.58Å; F121-L195 HydrophobicContact CD1-CD2 4.14Å; F121-L195 HydrophobicContact CE1-CD2 4.17Å
122F91.7Very high88.2Confident9 Ų946.4 Ų46.44%0.03923%0.23CC..Hα-helixtrans-68.2-14.5-179.9-72.6-65000114.1G118 Y119 F124 Y125 V138 W139 F168 F172G118-F122 WeakPolarHBondContact O-CD2 3.27Å; G118-F122 PolarHBondContact O-N 3.09Å; Y119-F122 PolarHBondContact O-N 3.05Å; F122-F124 VanDerWaalsContact C-N 3.33Å; F122-Y125 HydrophobicContact CD1-CG 4.37Å; F122-V138 HydrophobicContact CD1-CG2 4.18Å; F122-W139 HydrophobicContact CB-CE3 4.38Å; F122-W139 HydrophobicContact CB-CZ3 3.69Å; F122-F168 HydrophobicContact CB-CZ 4.26Å; F122-F168 AromaticContact CD2-CZ 3.79Å; F122-F168 HydrophobicContact CD2-CZ 3.79Å; F122-F168 HydrophobicContact CE2-CZ 4.34Å; F122-F168 AromaticContact CG-CZ 3.99Å; F122-F168 HydrophobicContact CG-CZ 3.99Å; F122-F172 AromaticContact CE1-CE1 3.79Å; F122-F172 HydrophobicContact CE1-CE1 3.79Å; F122-F172 HydrophobicContact CE1-CZ 4.32Å; F122-F172 HydrophobicContact CE2-CE1 4.13Å; F122-F172 HydrophobicContact CZ-CD1 4.45Å; F122-F172 AromaticContact CZ-CE1 3.53Å; F122-F172 HydrophobicContact CZ-CE1 3.53Å; F122-F172 HydrophobicContact CZ-CZ 4.32Å
123T92.6Very high87.4Confident1 Ų149.2 Ų49.21%0.00625%0.248CC..Hα-helixtrans-68.2-32.6171.2-59.70000112.6Y119 L120 F121 V381 A382Y119-T123 PolarHBondContact O-N 3.36Å; Y119-T123 PolarHBondContact O-OG1 3.31Å; L120-T123 WeakPolarHBondContact O-CB 3.45Å; L120-T123 PolarHBondContact O-N 3.26Å; F121-T123 PolarHBondContact O-N 3.27Å; T123-V381 HydrophobicContact CG2-CB 3.69Å; T123-V381 HydrophobicContact CG2-CG1 3.56Å; T123-V381 WeakPolarHBondContact OG1-CG1 3.28Å; T123-A382 HydrophobicContact CG2-CB 3.98Å
124F91.5Very high86.5Confident120 Ų12052.7 Ų52.753%0.52628%0.284SS..Hα-helixtrans-97.7-2.3178.6-66-70.5000113.2L120 F121 F122 D126 A382L120-F124 HydrophobicContact CD1-CE2 4.04Å; L120-F124 WeakPolarHBondContact O-CD2 3.46Å; F121-F124 PolarHBondContact O-N 3.14Å; F121-F124 VanDerWaalsContact O-N 3.08Å; F122-F124 VanDerWaalsContact C-N 3.33Å; F124-D126 PolarHBondContact O-N 2.75Å; F124-A382 HydrophobicContact CE1-CB 4.21Å; F124-A382 HydrophobicContact CE2-CB 3.9Å; F124-A382 HydrophobicContact CZ-CB 3.47Å; F124-A382 VanDerWaalsContact CZ-CB 3.47Å
125Y88.6Confident85.8Confident61 Ų6153.7 Ų53.724%0.23929%0.294CS..  trans-66.3125.4178.2-173.5-95.7000110.2F121 F122 N131 V138F121-Y125 HydrophobicContact CE1-CD2 4.4Å; F121-Y125 PolarHBondContact O-N 2.58Å; F122-Y125 HydrophobicContact CD1-CG 4.37Å; Y125-N131 HydrophobicContact CE1-CB 4.16Å; Y125-N131 PolarHBondContact OH-ND2 3.3Å; Y125-N131 VanDerWaalsContact OH-ND2 3.12Å; Y125-V138 HydrophobicContact CD1-CG2 3.79Å; Y125-V138 HydrophobicContact CE1-CG2 4.42Å
126D84.1Confident85.4Confident94 Ų9456.6 Ų56.650%0.50331%0.312SS..  trans-79.1124.5178.3-76.2-38.9000110.9F124 D128 R378F124-D126 PolarHBondContact O-N 2.75Å; D126-D128 PolarHBondContact O-N 3.26Å; D126-D128 VanDerWaalsContact O-N 3.09Å; D126-R378 IonicContact OD1-CZ 3.31Å; D126-R378 IonicContact OD1-NH1 2.68Å; D126-R378 PolarHBondContact OD1-NH1 2.95Å; D126-R378 IonicContact OD1-NH2 3.39Å; D126-R378 PolarHBondContact OD1-NH2 3.32Å
127C80.1Confident85.1Confident45 Ų4556.9 Ų56.930%0.30431%0.313SS..  trans-80.388.2-179.3-68.90000110.3G129 C132C127-G129 PolarHBondContact O-N 3.4Å; C127-C132 VanDerWaalsContact CA-SG 3.51Å; C127-C132 HydrophobicContact CB-CB 3.81Å; C127-C132 WeakPolarHBondContact CB-SG 3.45Å; C127-C132 WeakPolarHBondContact SG-CB 3.35Å; C127-C132 CovalentContact SG-SG 2.04Å; C127-C132 PolarHBondContact SG-SG 2.84Å
128D77.4Confident84.8Confident136 Ų13654.8 Ų54.873%0.72730%0.304SS*.  trans-79.911.5177.4-68.5-21.3000113.7D126 R130D126-D128 PolarHBondContact O-N 3.26Å; D126-D128 VanDerWaalsContact O-N 3.09Å; D128-R130 VanDerWaalsContact C-N 3.28Å; D128-R130 PolarHBondContact O-N 3.15Å
129G71.8Confident84.6Confident49 Ų4954.5 Ų54.551%0.50530%0.302SS..SBendtrans81.2-8.2-178.800000115.6C127C127-G129 PolarHBondContact O-N 3.4Å
130R73.7Confident84.3Confident223 Ų22355.5 Ų55.584%0.84231%0.311SS*.SBendtrans-78.1-35171.3-70.6-177.1177.91650.2113.2D128D128-R130 VanDerWaalsContact C-N 3.28Å; D128-R130 PolarHBondContact O-N 3.15Å
131N73.1Confident83.9Confident28 Ų2854.3 Ų54.315%0.1531%0.306CS..SBendtrans-125.8157.5169.4-61.4-44.9000106Y125Y125-N131 HydrophobicContact CE1-CB 4.16Å; Y125-N131 PolarHBondContact OH-ND2 3.3Å; Y125-N131 VanDerWaalsContact OH-ND2 3.12Å
132C78.6Confident83.6Confident8 Ų850.2 Ų50.25%0.05429%0.29CS..  trans64.440.7-17111.10000114.8C127 G134 G135 D144C127-C132 VanDerWaalsContact CA-SG 3.51Å; C127-C132 HydrophobicContact CB-CB 3.81Å; C127-C132 WeakPolarHBondContact CB-SG 3.45Å; C127-C132 WeakPolarHBondContact SG-CB 3.35Å; C127-C132 CovalentContact SG-SG 2.04Å; C127-C132 PolarHBondContact SG-SG 2.84Å; C132-G134 PolarHBondContact O-N 3.25Å; C132-G135 PolarHBondContact O-N 3.18Å; C132-D144 WeakPolarHBondContact CA-OD2 3.18Å; C132-D144 PolarHBondContact N-OD1 3.44Å; C132-D144 VanDerWaalsContact N-OD1 3.16Å; C132-D144 PolarHBondContact N-OD2 3.43Å
133V79.7Confident83.3Confident69 Ų6952.9 Ų52.942%0.41831%0.31SS..THydrogen-bonded Turntrans-62.1114.4170-178.20000107.9S141 S143 D144V133-S141 PolarHBondContact O-OG 3.28Å; V133-S143 WeakPolarHBondContact O-CB 3.2Å; V133-S143 PolarHBondContact O-OG 3.42Å; V133-D144 WeakPolarHBondContact CG2-OD1 3.43Å; V133-D144 PolarHBondContact N-OD1 2.97Å
134G77Confident82.9Confident74 Ų7453.2 Ų53.276%0.76331%0.311SS*.THydrogen-bonded Turntrans89-0.1173.600000117C132C132-G134 PolarHBondContact O-N 3.25Å
135G81Confident82.4Confident21 Ų2150.6 Ų50.622%0.21631%0.308CS..SBendtrans-129.6155.5-178.600000113.3C132 Y137 S141C132-G135 PolarHBondContact O-N 3.18Å; G135-Y137 PolarHBondContact O-N 3.32Å; G135-S141 PolarHBondContact N-OG 3.36Å
136T84.9Confident82.2Confident62 Ų6248.3 Ų48.338%0.3830%0.299SS..SBendtrans-72.9-20.8173.158.40000113.1S375T136-S375 WeakPolarHBondContact CG2-OG 3.29Å
137Y89.9Confident82Confident7 Ų744 Ų443%0.02728%0.277CS..SBendtrans-130.9156.6179.6-61.6-71.2000108.9G135 W139 G140 F371 S376 R378 V381G135-Y137 PolarHBondContact O-N 3.32Å; Y137-W139 HydrophobicContact CD1-CH2 4.11Å; Y137-W139 AromaticContact CD1-CZ2 3.82Å; Y137-W139 HydrophobicContact CD1-CZ2 3.82Å; Y137-W139 HydrophobicContact CD2-CZ2 4.31Å; Y137-W139 HydrophobicContact CE1-CZ2 4.5Å; Y137-W139 AromaticContact CG-CE2 3.86Å; Y137-W139 HydrophobicContact CG-CH2 4.36Å; Y137-W139 AromaticContact CG-CZ2 3.71Å; Y137-W139 HydrophobicContact CG-CZ2 3.71Å; Y137-W139 PolarHBondContact O-N 2.73Å; Y137-W139 VanDerWaalsContact O-N 3.12Å; Y137-G140 PolarHBondContact O-N 3.43Å; Y137-F371 HydrophobicContact CE2-CB 4.32Å; Y137-S376 PolarHBondContact OH-O 3.49Å; Y137-R378 HydrophobicContact CE1-CG 4.19Å; Y137-V381 HydrophobicContact CE1-CG2 4.26Å; Y137-V381 HydrophobicContact CE2-CG2 4.25Å; Y137-V381 WeakPolarHBondContact OH-CG2 3.32Å
138V88.7Confident81.9Confident2 Ų249.2 Ų49.21%0.01230%0.297CS..THydrogen-bonded Turntrans-54.3-34.8179.2-173.10000111.8F122 Y125 W146 F168F122-V138 HydrophobicContact CD1-CG2 4.18Å; Y125-V138 HydrophobicContact CD1-CG2 3.79Å; Y125-V138 HydrophobicContact CE1-CG2 4.42Å; V138-W146 WeakPolarHBondContact O-CZ2 3.5Å; V138-F168 HydrophobicContact CB-CE2 3.98Å; V138-F168 HydrophobicContact CG1-CD2 4.11Å; V138-F168 HydrophobicContact CG1-CE2 3.6Å
139W90.2Very high81.9Confident0 Ų046.2 Ų46.20%030%0.297CS..THydrogen-bonded Turntrans-89.23.8-179.75777.8000114.9Y119 F122 Y137 E165 F168 S368 V381 F385Y119-W139 HydrophobicContact CD1-CE3 4.48Å; Y119-W139 HydrophobicContact CD1-CZ3 4.31Å; F122-W139 HydrophobicContact CB-CE3 4.38Å; F122-W139 HydrophobicContact CB-CZ3 3.69Å; Y137-W139 HydrophobicContact CD1-CH2 4.11Å; Y137-W139 AromaticContact CD1-CZ2 3.82Å; Y137-W139 HydrophobicContact CD1-CZ2 3.82Å; Y137-W139 HydrophobicContact CD2-CZ2 4.31Å; Y137-W139 HydrophobicContact CE1-CZ2 4.5Å; Y137-W139 AromaticContact CG-CE2 3.86Å; Y137-W139 HydrophobicContact CG-CH2 4.36Å; Y137-W139 AromaticContact CG-CZ2 3.71Å; Y137-W139 HydrophobicContact CG-CZ2 3.71Å; Y137-W139 PolarHBondContact O-N 2.73Å; Y137-W139 VanDerWaalsContact O-N 3.12Å; W139-E165 HydrophobicContact CB-CG 4.4Å; W139-E165 HydrophobicContact CG-CG 4.44Å; W139-F168 HydrophobicContact CB-CB 3.68Å; W139-F168 HydrophobicContact CB-CD1 3.61Å; W139-F168 HydrophobicContact CB-CD2 4.03Å; W139-F168 HydrophobicContact CB-CE1 4.19Å; W139-F168 HydrophobicContact CB-CG 3.5Å; W139-F168 VanDerWaalsContact CB-CG 3.5Å; W139-F168 HydrophobicContact CD2-CE1 4.4Å; W139-F168 HydrophobicContact CE3-CD1 4.23Å; W139-F168 AromaticContact CE3-CE1 3.64Å; W139-F168 HydrophobicContact CE3-CE1 3.64Å; W139-F168 AromaticContact CE3-CZ 3.84Å; W139-F168 HydrophobicContact CE3-CZ 3.84Å; W139-F168 HydrophobicContact CG-CD1 4.4Å; W139-F168 HydrophobicContact CZ3-CE1 4.41Å; W139-S368 PolarHBondContact NE1-O 2.93Å; W139-V381 HydrophobicContact CH2-CG1 4.36Å; W139-V381 HydrophobicContact CZ2-CG1 4.08Å; W139-F385 HydrophobicContact CH2-CE2 4.44Å; W139-F385 HydrophobicContact CZ2-CE2 4.46Å
140G87.5Confident82.2Confident20 Ų2048.1 Ų48.121%0.20630%0.296CS..SBendtrans-85.6-4.1-167.200000116.2Y137Y137-G140 PolarHBondContact O-N 3.43Å
141S87.4Confident82.6Confident4 Ų438.6 Ų38.63%0.02826%0.263CS..  trans-157150.7-17250.30000112.6V133 G135 D153V133-S141 PolarHBondContact O-OG 3.28Å; G135-S141 PolarHBondContact N-OG 3.36Å; S141-D153 WeakPolarHBondContact CA-OD1 3.38Å
142C85.9Confident83Confident21 Ų2141.2 Ų41.214%0.14227%0.273CS..THydrogen-bonded Turntrans-86.1-0.9178.3-57.60000113.9D144 S147 C151 D153C142-D144 PolarHBondContact O-N 2.92Å; C142-S147 VanDerWaalsContact CA-OG 3.22Å; C142-S147 WeakPolarHBondContact CA-OG 3.28Å; C142-S147 VanDerWaalsContact CB-OG 3.29Å; C142-S147 WeakPolarHBondContact CB-OG 3.48Å; C142-S147 VanDerWaalsContact O-CB 3.25Å; C142-S147 WeakPolarHBondContact O-CB 3.3Å; C142-S147 PolarHBondContact O-OG 3.46Å; C142-C151 HydrophobicContact CB-CB 3.51Å; C142-C151 WeakPolarHBondContact CB-SG 3.26Å; C142-C151 VanDerWaalsContact SG-C 3.54Å; C142-C151 WeakPolarHBondContact SG-CB 3.48Å; C142-C151 CovalentContact SG-SG 2.02Å; C142-C151 PolarHBondContact SG-SG 3.42Å; C142-D153 WeakPolarHBondContact CA-OD2 3.41Å; C142-D153 VanDerWaalsContact CB-CG 3.41Å; C142-D153 WeakPolarHBondContact CB-OD1 3.47Å; C142-D153 WeakPolarHBondContact CB-OD2 3.5Å; C142-D153 PolarHBondContact N-OD1 3.48Å; C142-D153 PolarHBondContact N-OD2 2.97Å; C142-D153 PolarHBondContact SG-OD1 2.85Å
143S85.2Confident82.8Confident65 Ų6544.2 Ų44.246%0.45529%0.289SS..THydrogen-bonded Turntrans-74.3-11-177.817.50000114.7V133V133-S143 WeakPolarHBondContact O-CB 3.2Å; V133-S143 PolarHBondContact O-OG 3.42Å
144D84.3Confident82.2Confident8 Ų845.7 Ų45.74%0.04329%0.294CS..SBendtrans-78150.2176-80.9-23.2000112.3C132 V133 C142 W146 S147C132-D144 WeakPolarHBondContact CA-OD2 3.18Å; C132-D144 PolarHBondContact N-OD1 3.44Å; C132-D144 VanDerWaalsContact N-OD1 3.16Å; C132-D144 PolarHBondContact N-OD2 3.43Å; V133-D144 WeakPolarHBondContact CG2-OD1 3.43Å; V133-D144 PolarHBondContact N-OD1 2.97Å; C142-D144 PolarHBondContact O-N 2.92Å; D144-W146 HydrophobicContact CB-CD2 4.25Å; D144-W146 VanDerWaalsContact CB-CE2 3.48Å; D144-W146 HydrophobicContact CB-CG 4.25Å; D144-W146 HydrophobicContact CB-CZ2 3.86Å; D144-W146 PolarHBondContact O-N 2.92Å; D144-W146 PolarHBondContact OD2-NE1 2.96Å; D144-S147 VanDerWaalsContact O-CB 3.29Å; D144-S147 WeakPolarHBondContact O-CB 3.33Å; D144-S147 PolarHBondContact O-N 3.47Å
145S82.4Confident81.5Confident65 Ų6547.8 Ų47.846%0.45528%0.28SS..G310 helixtrans-57.5-21.1179.958.90000115.9S147 E148 R193S145-S147 VanDerWaalsContact C-N 3.25Å; S145-S147 PolarHBondContact O-N 2.7Å; S145-E148 WeakPolarHBondContact O-CG 3.47Å; S145-R193 PolarHBondContact OG-NH2 3.43Å
146W82.4Confident80.5Confident13 Ų1356.1 Ų56.15%0.04931%0.305CS..G310 helixtrans-80.3-9.517853.7-99.6000113V138 D144 E148 P164 K167 F168 N171 F172V138-W146 WeakPolarHBondContact O-CZ2 3.5Å; D144-W146 HydrophobicContact CB-CD2 4.25Å; D144-W146 VanDerWaalsContact CB-CE2 3.48Å; D144-W146 HydrophobicContact CB-CG 4.25Å; D144-W146 HydrophobicContact CB-CZ2 3.86Å; D144-W146 PolarHBondContact O-N 2.92Å; D144-W146 PolarHBondContact OD2-NE1 2.96Å; W146-E148 VanDerWaalsContact C-N 3.3Å; W146-E148 PolarHBondContact O-N 2.96Å; W146-P164 HydrophobicContact CH2-CB 4.26Å; W146-P164 WeakPolarHBondContact CZ3-O 3.48Å; W146-K167 HydrophobicContact CE3-CB 4.17Å; W146-K167 HydrophobicContact CZ3-CB 3.77Å; W146-F168 HydrophobicContact CH2-CB 4.1Å; W146-F168 HydrophobicContact CZ3-CB 4Å; W146-N171 PolarHBondContact O-ND2 2.79Å; W146-F172 HydrophobicContact CB-CB 4.19Å; W146-F172 HydrophobicContact CB-CD2 3.86Å; W146-F172 AromaticContact CD1-CD2 3.48Å; W146-F172 VanDerWaalsContact CD1-CD2 3.48Å; W146-F172 AromaticContact CD1-CE2 3.92Å; W146-F172 HydrophobicContact CD2-CB 4.24Å; W146-F172 HydrophobicContact CD2-CD2 4.47Å; W146-F172 HydrophobicContact CG-CB 4.05Å; W146-F172 AromaticContact CG-CD2 3.65Å; W146-F172 HydrophobicContact CG-CD2 3.65Å; W146-F172 HydrophobicContact CG-CE2 4.5Å; W146-F172 HydrophobicContact CG-CG 4.2Å
147S81.8Confident79.4Confident5 Ų556.5 Ų56.54%0.03530%0.304CS..G310 helixtrans-90.314.9-176.4-175.80000113.8C142 D144 S145 C151 K167C142-S147 VanDerWaalsContact CA-OG 3.22Å; C142-S147 WeakPolarHBondContact CA-OG 3.28Å; C142-S147 VanDerWaalsContact CB-OG 3.29Å; C142-S147 WeakPolarHBondContact CB-OG 3.48Å; C142-S147 VanDerWaalsContact O-CB 3.25Å; C142-S147 WeakPolarHBondContact O-CB 3.3Å; C142-S147 PolarHBondContact O-OG 3.46Å; D144-S147 VanDerWaalsContact O-CB 3.29Å; D144-S147 WeakPolarHBondContact O-CB 3.33Å; D144-S147 PolarHBondContact O-N 3.47Å; S145-S147 VanDerWaalsContact C-N 3.25Å; S145-S147 PolarHBondContact O-N 2.7Å; S147-C151 WeakPolarHBondContact OG-CB 3.02Å; S147-C151 PolarHBondContact OG-SG 3.49Å; S147-K167 PolarHBondContact O-NZ 3.28Å
148E77.4Confident78Confident154 Ų15456.5 Ų56.572%0.7230%0.304SS*.  trans-42.9143.6-179.2-75.8170-159.900114.4S145 W146 K167S145-E148 WeakPolarHBondContact O-CG 3.47Å; W146-E148 VanDerWaalsContact C-N 3.3Å; W146-E148 PolarHBondContact O-N 2.96Å; E148-K167 PolarHBondContact O-NZ 2.75Å
149G77Confident76.9Confident72 Ų7258.5 Ų58.574%0.74231%0.314SS*.SBendtrans87.2-156.7-179.500000114.1C151G149-C151 PolarHBondContact O-N 3.24Å; G149-C151 VanDerWaalsContact O-N 3.08Å
150D78.3Confident75.7Confident90 Ų9061 Ų6148%0.48133%0.334SS..SBendtrans-67.7108-179.9-168.526.2000109.6K152 P162 K167D150-K152 VanDerWaalsContact OD1-CE 3.23Å; D150-K152 WeakPolarHBondContact OD1-CE 3.45Å; D150-K152 IonicContact OD1-NZ 2.72Å; D150-K152 PolarHBondContact OD1-NZ 3.1Å; D150-P162 WeakPolarHBondContact O-CG 3.36Å; D150-K167 VanDerWaalsContact C-NZ 3.28Å; D150-K167 WeakPolarHBondContact O-CE 3.34Å; D150-K167 PolarHBondContact O-NZ 2.92Å
151C82.4Confident75Confident23 Ų2360.3 Ų60.316%0.15533%0.327CS..  trans-134.3133.9173.2-166.60000108.2C142 S147 G149 K167C142-C151 HydrophobicContact CB-CB 3.51Å; C142-C151 WeakPolarHBondContact CB-SG 3.26Å; C142-C151 VanDerWaalsContact SG-C 3.54Å; C142-C151 WeakPolarHBondContact SG-CB 3.48Å; C142-C151 CovalentContact SG-SG 2.02Å; C142-C151 PolarHBondContact SG-SG 3.42Å; S147-C151 WeakPolarHBondContact OG-CB 3.02Å; S147-C151 PolarHBondContact OG-SG 3.49Å; G149-C151 PolarHBondContact O-N 3.24Å; G149-C151 VanDerWaalsContact O-N 3.08Å; C151-K167 HydrophobicContact CB-CD 4.1Å
152K81Confident74.5Confident83 Ų8360.6 Ų60.636%0.36133%0.329SS..  trans-110.698.2-176.8-60.7-52.9-169.1-146.50110.5D150 N154 P162D150-K152 VanDerWaalsContact OD1-CE 3.23Å; D150-K152 WeakPolarHBondContact OD1-CE 3.45Å; D150-K152 IonicContact OD1-NZ 2.72Å; D150-K152 PolarHBondContact OD1-NZ 3.1Å; K152-N154 PolarHBondContact O-N 3.3Å; K152-P162 PolarHBondContact N-O 3.2Å; K152-P162 VanDerWaalsContact N-O 3.1Å
153D74Confident74.4Confident70 Ų7059.8 Ų59.837%0.37432%0.323SS..  trans-75.496.7161.6-77.7-28.1000108.3S141 C142S141-D153 WeakPolarHBondContact CA-OD1 3.38Å; C142-D153 WeakPolarHBondContact CA-OD2 3.41Å; C142-D153 VanDerWaalsContact CB-CG 3.41Å; C142-D153 WeakPolarHBondContact CB-OD1 3.47Å; C142-D153 WeakPolarHBondContact CB-OD2 3.5Å; C142-D153 PolarHBondContact N-OD1 3.48Å; C142-D153 PolarHBondContact N-OD2 2.97Å; C142-D153 PolarHBondContact SG-OD1 2.85Å
154N66.8Low74.5Confident100 Ų10057.1 Ų57.154%0.53530%0.304SS..  trans175.6120.4156.9-90.7-36.8000109K152 R156 I157K152-N154 PolarHBondContact O-N 3.3Å; N154-R156 PolarHBondContact O-N 3.04Å; N154-I157 HydrophobicContact CB-CB 4.36Å; N154-I157 HydrophobicContact CB-CD1 3.88Å; N154-I157 HydrophobicContact CB-CG1 3.98Å; N154-I157 PolarHBondContact O-N 2.8Å
155Y64.2Low74.8Confident119 Ų11956.9 Ų56.947%0.46730%0.303SS..THydrogen-bonded Turntrans-59.7-16.1179.261.3-92.3000114.2I157 V158Y155-I157 VanDerWaalsContact C-N 3.34Å; Y155-V158 WeakPolarHBondContact O-CG2 2.9Å
156R58.5Low75Confident196 Ų19653.8 Ų53.874%0.7428%0.281SS*.THydrogen-bonded Turntrans-80.4-14.6173.9-62.6-172-178.5-178-2.2113.5N154N154-R156 PolarHBondContact O-N 3.04Å
157I61.4Low75.3Confident70 Ų7053.3 Ų53.336%0.35928%0.28SS..  trans-118.820.8-169.1-46.8176.4000110.6N154 Y155 H159 A160N154-I157 HydrophobicContact CB-CB 4.36Å; N154-I157 HydrophobicContact CB-CD1 3.88Å; N154-I157 HydrophobicContact CB-CG1 3.98Å; N154-I157 PolarHBondContact O-N 2.8Å; Y155-I157 VanDerWaalsContact C-N 3.34Å; I157-H159 PolarHBondContact O-N 3.39Å; I157-A160 HydrophobicContact CG2-CB 3.31Å; I157-A160 PolarHBondContact O-N 3.13Å
158V62Low75.7Confident6 Ų653 Ų534%0.03628%0.278CS..THydrogen-bonded Turntrans-52.1-23.5177.4176.50000112Y155 V163 Y347 H355Y155-V158 WeakPolarHBondContact O-CG2 2.9Å; V158-V163 HydrophobicContact CG1-CG1 4.19Å; V158-Y347 HydrophobicContact CG1-CD1 3.54Å; V158-Y347 HydrophobicContact CG1-CE1 3.37Å; V158-H355 WeakPolarHBondContact CG1-NE2 3.19Å
159H64.9Low76.3Confident44 Ų4445.7 Ų45.720%0.20424%0.244CC..THydrogen-bonded Turntrans-83.1-18-179.1-45.8-37.2000115.1I157 D348 Y351I157-H159 PolarHBondContact O-N 3.39Å; H159-D348 IonicContact CD2-OD2 3.1Å; H159-D348 IonicContact CE1-OD2 3.96Å; H159-D348 WeakPolarHBondContact NE2-CB 3.42Å; H159-D348 IonicContact NE2-OD2 2.71Å; H159-D348 PolarHBondContact NE2-OD2 2.93Å; H159-Y351 HydrophobicContact CB-CD1 3.75Å; H159-Y351 HydrophobicContact CB-CD2 3.9Å; H159-Y351 HydrophobicContact CB-CE1 3.88Å; H159-Y351 HydrophobicContact CB-CE2 4.03Å; H159-Y351 HydrophobicContact CB-CG 3.75Å; H159-Y351 AromaticContact CD2-CD2 3.38Å; H159-Y351 WeakPolarHBondContact CD2-CD2 3Å; H159-Y351 AromaticContact CD2-CE2 3.5Å; H159-Y351 VanDerWaalsContact CD2-CE2 3.5Å; H159-Y351 WeakPolarHBondContact CD2-CE2 3.24Å; H159-Y351 AromaticContact CE1-CD2 3.34Å; H159-Y351 WeakPolarHBondContact CE1-CD2 3.48Å; H159-Y351 AromaticContact CE1-CG 3.74Å; H159-Y351 AromaticContact CG-CD1 3.92Å; H159-Y351 AromaticContact CG-CD2 3.17Å; H159-Y351 AromaticContact CG-CE2 3.56Å; H159-Y351 AromaticContact CG-CG 3.36Å; H159-Y351 WeakPolarHBondContact ND1-CB 3.49Å; H159-Y351 AromaticContact ND1-CD2 3.19Å; H159-Y351 WeakPolarHBondContact ND1-CD2 3.42Å; H159-Y351 AromaticContact ND1-CG 3.17Å; H159-Y351 AromaticContact NE2-CD2 3.46Å; H159-Y351 WeakPolarHBondContact NE2-CD2 3Å; H159-Y351 AromaticContact NE2-CE2 3.92Å
160A66.1Low76.8Confident53 Ų5342.3 Ų42.344%0.43821%0.208SC..SBendtrans-98-4.5-168.900000114.7I157I157-A160 HydrophobicContact CG2-CB 3.31Å; I157-A160 PolarHBondContact O-N 3.13Å
161G71.6Confident77.2Confident5 Ų539.9 Ų39.95%0.05220%0.196CC..SBendtrans173.5-173.8-178.800000112.7
162P77.2Confident77.4Confident10 Ų1039 Ų397%0.06519%0.189CC..  trans-76.3138.8-17532.8-37.2000113D150 K152 Y530D150-P162 WeakPolarHBondContact O-CG 3.36Å; K152-P162 PolarHBondContact N-O 3.2Å; K152-P162 VanDerWaalsContact N-O 3.1Å; P162-Y530 HydrophobicContact CB-CG 4.28Å
163V84Confident77.7Confident4 Ų435.5 Ų35.52%0.02417%0.174CC..  trans-83.1152.7179.5-63.10000110.8V158 E165 E166 K167 I365V158-V163 HydrophobicContact CG1-CG1 4.19Å; V163-E165 WeakPolarHBondContact CB-OE2 3.24Å; V163-E165 HydrophobicContact CG2-CB 4.37Å; V163-E165 PolarHBondContact O-N 2.93Å; V163-E166 HydrophobicContact CG2-CB 3.94Å; V163-E166 HydrophobicContact CG2-CG 3.55Å; V163-E166 PolarHBondContact O-N 3.37Å; V163-E166 VanDerWaalsContact O-N 3.12Å; V163-K167 PolarHBondContact O-N 3.47Å; V163-I365 HydrophobicContact CG2-CG2 4.22Å
164P87.9Confident78.3Confident9 Ų932.7 Ų32.76%0.05816%0.159CC..Hα-helixtrans-58.3-31.2179.922.6-32.9000112.4W146 E166 K167 F168W146-P164 HydrophobicContact CH2-CB 4.26Å; W146-P164 WeakPolarHBondContact CZ3-O 3.48Å; P164-E166 PolarHBondContact O-N 3.38Å; P164-K167 PolarHBondContact O-N 3.09Å; P164-F168 WeakPolarHBondContact O-CB 3.32Å; P164-F168 PolarHBondContact O-N 3.11Å
165E89.4Confident79.1Confident3 Ų329.8 Ų29.81%0.01414%0.143CC..Hα-helixtrans-66.9-35178.2-61.584.8-179.100113.5W139 V163 I169 I365 S368 H369 S372W139-E165 HydrophobicContact CB-CG 4.4Å; W139-E165 HydrophobicContact CG-CG 4.44Å; V163-E165 WeakPolarHBondContact CB-OE2 3.24Å; V163-E165 HydrophobicContact CG2-CB 4.37Å; V163-E165 PolarHBondContact O-N 2.93Å; E165-I169 PolarHBondContact O-N 3.33Å; E165-I365 HydrophobicContact CB-CG2 4.42Å; E165-S368 WeakPolarHBondContact CB-OG 3.49Å; E165-S368 WeakPolarHBondContact CG-OG 3.16Å; E165-H369 HydrophobicContact CG-CB 4.12Å; E165-H369 WeakPolarHBondContact OE1-CA 3.26Å; E165-H369 IonicContact OE1-ND1 3.42Å; E165-H369 IonicContact OE2-ND1 3.99Å; E165-H369 PolarHBondContact OE2-ND1 3.2Å; E165-S372 PolarHBondContact OE1-OG 2.9Å
166E87.6Confident80.1Confident0 Ų025.8 Ų25.80%013%0.127CC..Hα-helixtrans-67.5-42.9174.3-79.7-177.6-178.400111V163 P164 F168 I169 L170 H355 I365 T529 Y530 S531V163-E166 HydrophobicContact CG2-CB 3.94Å; V163-E166 HydrophobicContact CG2-CG 3.55Å; V163-E166 PolarHBondContact O-N 3.37Å; V163-E166 VanDerWaalsContact O-N 3.12Å; P164-E166 PolarHBondContact O-N 3.38Å; E166-F168 VanDerWaalsContact C-N 3.34Å; E166-I169 WeakPolarHBondContact O-CG2 3.12Å; E166-L170 WeakPolarHBondContact O-CB 3.49Å; E166-L170 WeakPolarHBondContact O-CD1 3.16Å; E166-L170 WeakPolarHBondContact O-CG 3.37Å; E166-L170 PolarHBondContact O-N 3.14Å; E166-L170 VanDerWaalsContact O-N 3.15Å; E166-H355 IonicContact OE1-CE1 3.72Å; E166-H355 IonicContact OE1-ND1 3.43Å; E166-H355 PolarHBondContact OE1-ND1 2.89Å; E166-I365 HydrophobicContact CG-CD1 3.71Å; E166-I365 HydrophobicContact CG-CG1 4.05Å; E166-I365 HydrophobicContact CG-CG2 3.79Å; E166-T529 WeakPolarHBondContact OE2-CB 3.24Å; E166-Y530 PolarHBondContact OE2-N 2.97Å; E166-S531 PolarHBondContact OE1-OG 3.41Å; E166-S531 PolarHBondContact OE2-N 3.28Å
167K87.6Confident81.2Confident3 Ų317 Ų171%0.01310%0.095CC..Hα-helixtrans-68.8-35177.1-73.7-162.7-178.1-168.90112W146 S147 E148 D150 C151 V163 P164 L170 N171 Y530W146-K167 HydrophobicContact CE3-CB 4.17Å; W146-K167 HydrophobicContact CZ3-CB 3.77Å; S147-K167 PolarHBondContact O-NZ 3.28Å; E148-K167 PolarHBondContact O-NZ 2.75Å; D150-K167 VanDerWaalsContact C-NZ 3.28Å; D150-K167 WeakPolarHBondContact O-CE 3.34Å; D150-K167 PolarHBondContact O-NZ 2.92Å; C151-K167 HydrophobicContact CB-CD 4.1Å; V163-K167 PolarHBondContact O-N 3.47Å; P164-K167 PolarHBondContact O-N 3.09Å; K167-L170 PolarHBondContact O-N 2.6Å; K167-N171 WeakPolarHBondContact O-CA 3.15Å; K167-N171 VanDerWaalsContact O-CB 3.27Å; K167-N171 WeakPolarHBondContact O-CB 3.28Å; K167-N171 PolarHBondContact O-N 2.9Å; K167-Y530 HydrophobicContact CG-CD1 4.04Å; K167-Y530 HydrophobicContact CG-CE1 4.29Å
168F89.7Confident82Confident0 Ų020.5 Ų20.50%012%0.115CC..Iπ-helixtrans-59.4-50.7177.2174.9-107.1000111.5Y119 F122 V138 W139 W146 P164 E166 F172 I173Y119-F168 HydrophobicContact CD1-CE1 4.38Å; Y119-F168 HydrophobicContact CE1-CD1 4.09Å; Y119-F168 AromaticContact CE1-CE1 3.88Å; Y119-F168 HydrophobicContact CE1-CE1 3.88Å; Y119-F168 AromaticContact CZ-CE1 4Å; F122-F168 HydrophobicContact CB-CZ 4.26Å; F122-F168 AromaticContact CD2-CZ 3.79Å; F122-F168 HydrophobicContact CD2-CZ 3.79Å; F122-F168 HydrophobicContact CE2-CZ 4.34Å; F122-F168 AromaticContact CG-CZ 3.99Å; F122-F168 HydrophobicContact CG-CZ 3.99Å; V138-F168 HydrophobicContact CB-CE2 3.98Å; V138-F168 HydrophobicContact CG1-CD2 4.11Å; V138-F168 HydrophobicContact CG1-CE2 3.6Å; W139-F168 HydrophobicContact CB-CB 3.68Å; W139-F168 HydrophobicContact CB-CD1 3.61Å; W139-F168 HydrophobicContact CB-CD2 4.03Å; W139-F168 HydrophobicContact CB-CE1 4.19Å; W139-F168 HydrophobicContact CB-CG 3.5Å; W139-F168 VanDerWaalsContact CB-CG 3.5Å; W139-F168 HydrophobicContact CD2-CE1 4.4Å; W139-F168 HydrophobicContact CE3-CD1 4.23Å; W139-F168 AromaticContact CE3-CE1 3.64Å; W139-F168 HydrophobicContact CE3-CE1 3.64Å; W139-F168 AromaticContact CE3-CZ 3.84Å; W139-F168 HydrophobicContact CE3-CZ 3.84Å; W139-F168 HydrophobicContact CG-CD1 4.4Å; W139-F168 HydrophobicContact CZ3-CE1 4.41Å; W146-F168 HydrophobicContact CH2-CB 4.1Å; W146-F168 HydrophobicContact CZ3-CB 4Å; P164-F168 WeakPolarHBondContact O-CB 3.32Å; P164-F168 PolarHBondContact O-N 3.11Å; E166-F168 VanDerWaalsContact C-N 3.34Å; F168-F172 HydrophobicContact CD2-CB 4.01Å; F168-F172 AromaticContact CD2-CD1 3.81Å; F168-F172 HydrophobicContact CD2-CD1 3.81Å; F168-F172 HydrophobicContact CD2-CG 4.11Å; F168-F172 HydrophobicContact CE2-CB 4.41Å; F168-F172 AromaticContact CE2-CD1 3.34Å; F168-F172 HydrophobicContact CE2-CD1 3.34Å; F168-F172 AromaticContact CE2-CE1 3.8Å; F168-F172 HydrophobicContact CE2-CE1 3.8Å; F168-F172 HydrophobicContact CE2-CG 4.09Å; F168-F172 HydrophobicContact CZ-CD1 4.14Å; F168-F172 WeakPolarHBondContact O-CA 2.99Å; F168-F172 WeakPolarHBondContact O-CB 3.02Å; F168-F172 PolarHBondContact O-N 2.6Å; F168-F172 VanDerWaalsContact O-N 3.07Å; F168-I173 HydrophobicContact CD1-CD1 3.93Å; F168-I173 HydrophobicContact CD1-CG1 4.41Å; F168-I173 HydrophobicContact CE1-CD1 3.35Å; F168-I173 HydrophobicContact CE1-CG1 3.95Å; F168-I173 HydrophobicContact CZ-CD1 3.82Å; F168-I173 HydrophobicContact CZ-CG1 4.01Å; F168-I173 PolarHBondContact O-N 3.27Å
169I90.1Very high82.7Confident0 Ų021.8 Ų21.80%012%0.124CC..Iπ-helixtrans-67.5-43.2179.2-166.9161.2000112.1I115 Y119 E165 E166 L174 W360 L361 F364 I365I115-I169 HydrophobicContact CG2-CD1 4.1Å; Y119-I169 HydrophobicContact CE2-CD1 3.85Å; Y119-I169 HydrophobicContact CE2-CG1 4.33Å; Y119-I169 WeakPolarHBondContact OH-CB 3.34Å; E165-I169 PolarHBondContact O-N 3.33Å; E166-I169 WeakPolarHBondContact O-CG2 3.12Å; I169-L174 HydrophobicContact CG1-CD1 3.89Å; I169-L174 HydrophobicContact CG1-CG 4.42Å; I169-L174 VanDerWaalsContact O-CB 3.25Å; I169-L174 WeakPolarHBondContact O-CB 3.45Å; I169-L174 WeakPolarHBondContact O-CD1 3.23Å; I169-L174 WeakPolarHBondContact O-CG 3.38Å; I169-L174 PolarHBondContact O-N 3.27Å; I169-W360 HydrophobicContact CD1-CZ3 4.46Å; I169-L361 HydrophobicContact CD1-CD2 3.35Å; I169-L361 HydrophobicContact CG1-CD2 3.93Å; I169-L361 HydrophobicContact CG2-CD2 3.99Å; I169-F364 HydrophobicContact CD1-CB 3.95Å; I169-F364 HydrophobicContact CD1-CD2 4.26Å; I169-F364 HydrophobicContact CD1-CG 4.22Å; I169-I365 HydrophobicContact CG2-CG1 4.38Å
170L87.9Confident83.4Confident0 Ų020.2 Ų20.20%012%0.117CC..Iπ-helixtrans-77.2-45.2-173.6-67.7166.4000113.3E166 K167 L174 M175 R176 L361 F450 Y530E166-L170 WeakPolarHBondContact O-CB 3.49Å; E166-L170 WeakPolarHBondContact O-CD1 3.16Å; E166-L170 WeakPolarHBondContact O-CG 3.37Å; E166-L170 PolarHBondContact O-N 3.14Å; E166-L170 VanDerWaalsContact O-N 3.15Å; K167-L170 PolarHBondContact O-N 2.6Å; L170-L174 HydrophobicContact CD2-CD1 4.22Å; L170-M175 PolarHBondContact O-N 3.19Å; L170-M175 VanDerWaalsContact O-N 3.14Å; L170-R176 WeakPolarHBondContact O-CB 3.44Å; L170-R176 PolarHBondContact O-N 3.12Å; L170-L361 HydrophobicContact CD2-CD1 4.25Å; L170-F450 HydrophobicContact CD2-CD2 3.74Å; L170-F450 HydrophobicContact CD2-CE2 3.75Å; L170-F450 HydrophobicContact CD2-CG 4.31Å; L170-F450 HydrophobicContact CD2-CZ 4.27Å; L170-Y530 HydrophobicContact CB-CD1 4.23Å; L170-Y530 HydrophobicContact CB-CE1 3.86Å; L170-Y530 HydrophobicContact CD1-CD1 3.55Å; L170-Y530 HydrophobicContact CD1-CE1 3.99Å
171N86.6Confident84Confident40 Ų4023.4 Ų23.421%0.21413%0.126CC..Iπ-helixtrans-92.5-39.1-175.5-64.8-4.9000112.3W146 K167 M175 Y530W146-N171 PolarHBondContact O-ND2 2.79Å; K167-N171 WeakPolarHBondContact O-CA 3.15Å; K167-N171 VanDerWaalsContact O-CB 3.27Å; K167-N171 WeakPolarHBondContact O-CB 3.28Å; K167-N171 PolarHBondContact O-N 2.9Å; N171-M175 WeakPolarHBondContact O-CA 3.09Å; N171-Y530 PolarHBondContact ND2-OH 3.35Å; N171-Y530 WeakPolarHBondContact OD1-CE1 3.38Å; N171-Y530 PolarHBondContact OD1-OH 2.93Å
172F86.4Confident84.1Confident3 Ų326.3 Ų26.31%0.01315%0.145CC..Iπ-helixtrans-91.6-47.6-172.2-174.2-92.5000113.3F122 W146 F168 R193 G194F122-F172 AromaticContact CE1-CE1 3.79Å; F122-F172 HydrophobicContact CE1-CE1 3.79Å; F122-F172 HydrophobicContact CE1-CZ 4.32Å; F122-F172 HydrophobicContact CE2-CE1 4.13Å; F122-F172 HydrophobicContact CZ-CD1 4.45Å; F122-F172 AromaticContact CZ-CE1 3.53Å; F122-F172 HydrophobicContact CZ-CE1 3.53Å; F122-F172 HydrophobicContact CZ-CZ 4.32Å; W146-F172 HydrophobicContact CB-CB 4.19Å; W146-F172 HydrophobicContact CB-CD2 3.86Å; W146-F172 AromaticContact CD1-CD2 3.48Å; W146-F172 VanDerWaalsContact CD1-CD2 3.48Å; W146-F172 AromaticContact CD1-CE2 3.92Å; W146-F172 HydrophobicContact CD2-CB 4.24Å; W146-F172 HydrophobicContact CD2-CD2 4.47Å; W146-F172 HydrophobicContact CG-CB 4.05Å; W146-F172 AromaticContact CG-CD2 3.65Å; W146-F172 HydrophobicContact CG-CD2 3.65Å; W146-F172 HydrophobicContact CG-CE2 4.5Å; W146-F172 HydrophobicContact CG-CG 4.2Å; F168-F172 HydrophobicContact CD2-CB 4.01Å; F168-F172 AromaticContact CD2-CD1 3.81Å; F168-F172 HydrophobicContact CD2-CD1 3.81Å; F168-F172 HydrophobicContact CD2-CG 4.11Å; F168-F172 HydrophobicContact CE2-CB 4.41Å; F168-F172 AromaticContact CE2-CD1 3.34Å; F168-F172 HydrophobicContact CE2-CD1 3.34Å; F168-F172 AromaticContact CE2-CE1 3.8Å; F168-F172 HydrophobicContact CE2-CE1 3.8Å; F168-F172 HydrophobicContact CE2-CG 4.09Å; F168-F172 HydrophobicContact CZ-CD1 4.14Å; F168-F172 WeakPolarHBondContact O-CA 2.99Å; F168-F172 WeakPolarHBondContact O-CB 3.02Å; F168-F172 PolarHBondContact O-N 2.6Å; F168-F172 VanDerWaalsContact O-N 3.07Å; F172-R193 HydrophobicContact CD2-CG 4.23Å; F172-R193 HydrophobicContact CE2-CG 3.83Å; F172-G194 PolarHBondContact O-N 2.04Å
173I88.1Confident83.8Confident10 Ų1025.8 Ų25.85%0.05114%0.142CC..Iπ-helixtrans-79.5-53.6178.2-64.1178.3000111.1Y119 F168 G194Y119-I173 HydrophobicContact CD2-CD1 4.02Å; Y119-I173 HydrophobicContact CE2-CD1 3.59Å; F168-I173 HydrophobicContact CD1-CD1 3.93Å; F168-I173 HydrophobicContact CD1-CG1 4.41Å; F168-I173 HydrophobicContact CE1-CD1 3.35Å; F168-I173 HydrophobicContact CE1-CG1 3.95Å; F168-I173 HydrophobicContact CZ-CD1 3.82Å; F168-I173 HydrophobicContact CZ-CG1 4.01Å; F168-I173 PolarHBondContact O-N 3.27Å; I173-G194 WeakPolarHBondContact O-CA 3.4Å
174L86Confident83Confident12 Ų1234.5 Ų34.56%0.06318%0.175CC..SBendtrans-86.9-23.5-171.9-67.3165.7000113.6Y111 I115 I169 L170 R176 I196 W360Y111-L174 HydrophobicContact CE2-CD2 4.33Å; Y111-L174 WeakPolarHBondContact OH-CD2 3.08Å; I115-L174 HydrophobicContact CD1-CD2 4.36Å; I169-L174 HydrophobicContact CG1-CD1 3.89Å; I169-L174 HydrophobicContact CG1-CG 4.42Å; I169-L174 VanDerWaalsContact O-CB 3.25Å; I169-L174 WeakPolarHBondContact O-CB 3.45Å; I169-L174 WeakPolarHBondContact O-CD1 3.23Å; I169-L174 WeakPolarHBondContact O-CG 3.38Å; I169-L174 PolarHBondContact O-N 3.27Å; L170-L174 HydrophobicContact CD2-CD1 4.22Å; L174-R176 VanDerWaalsContact C-N 3.27Å; L174-R176 PolarHBondContact O-N 3.34Å; L174-I196 HydrophobicContact CD2-CD1 3.76Å; L174-W360 HydrophobicContact CD1-CH2 3.98Å
175M84.5Confident82.1Confident38 Ų3840 Ų4019%0.18720%0.2CC..  trans44.854-168.8-61-166.3-168.400111.9L170 N171 S177 S188 R193 G194 Q447L170-M175 PolarHBondContact O-N 3.19Å; L170-M175 VanDerWaalsContact O-N 3.14Å; N171-M175 WeakPolarHBondContact O-CA 3.09Å; M175-S177 PolarHBondContact O-N 3.4Å; M175-S188 WeakPolarHBondContact SD-CB 3.5Å; M175-S188 PolarHBondContact SD-OG 3.32Å; M175-R193 HydrophobicContact CE-CB 3.27Å; M175-R193 WeakPolarHBondContact CE-O 3.38Å; M175-G194 VanDerWaalsContact CE-N 3.26Å; M175-Q447 HydrophobicContact CB-CG 4.15Å; M175-Q447 WeakPolarHBondContact O-CB 3.4Å; M175-Q447 VanDerWaalsContact O-CG 3.29Å; M175-Q447 WeakPolarHBondContact O-CG 3.47Å
176R84.2Confident80.9Confident36 Ų3644.2 Ų44.214%0.13622%0.221CC..  trans-54.1126.6-175.7177.3179.566.6177.71.7110.6L170 L174 F450 Y451 Y530L170-R176 WeakPolarHBondContact O-CB 3.44Å; L170-R176 PolarHBondContact O-N 3.12Å; L174-R176 VanDerWaalsContact C-N 3.27Å; L174-R176 PolarHBondContact O-N 3.34Å; R176-F450 VanDerWaalsContact CD-CD1 3.47Å; R176-F450 HydrophobicContact CG-CB 4.33Å; R176-F450 HydrophobicContact CG-CD1 4.16Å; R176-F450 HydrophobicContact CG-CG 4.4Å; R176-Y451 HydrophobicContact CG-CE2 4.21Å; R176-Y530 PolarHBondContact NH1-O 3.45Å; R176-Y530 VanDerWaalsContact NH1-O 3.09Å; R176-Y530 PolarHBondContact NH2-O 2.99Å; R176-Y530 VanDerWaalsContact NH2-O 3.07Å
177S82.3Confident79.3Confident10 Ų1049.6 Ų49.67%0.0726%0.255CS..  trans-73.5159.5171.758.10000112.4M175 S179 Q447 Y451M175-S177 PolarHBondContact O-N 3.4Å; S177-S179 PolarHBondContact O-N 3.02Å; S177-S179 PolarHBondContact OG-O 3.29Å; S177-Q447 PolarHBondContact N-O 2.99Å; S177-Y451 WeakPolarHBondContact O-CE2 3.45Å; S177-Y451 PolarHBondContact O-OH 3.18Å
178D78.6Confident78.2Confident145 Ų14550.4 Ų50.478%0.77526%0.26SS*.SBendtrans-64.2-26.7178.1-64.7-35.5000113.6Y451D178-Y451 PolarHBondContact O-OH 3.09Å
179S76.9Confident77Confident33 Ų3352 Ų5223%0.23127%0.267CS..SBendtrans-144.9164.2179.877.30000111.7S177 L181 S182S177-S179 PolarHBondContact O-N 3.02Å; S177-S179 PolarHBondContact OG-O 3.29Å; S179-L181 PolarHBondContact O-N 2.99Å; S179-L181 PolarHBondContact OG-N 3.45Å; S179-S182 PolarHBondContact N-OG 3.39Å; S179-S182 PolarHBondContact O-N 3.14Å; S179-S182 PolarHBondContact O-OG 2.98Å; S179-S182 WeakPolarHBondContact OG-CB 3.4Å; S179-S182 PolarHBondContact OG-N 2.68Å; S179-S182 PolarHBondContact OG-OG 3.06Å
180I78.3Confident75.7Confident11 Ų1160.3 Ų60.36%0.05630%0.303CS..SBendtrans-63.1-24.1173.4-166.4169.6000112.8Y451 W452 P538 F543I180-Y451 HydrophobicContact CB-CD2 4.23Å; I180-Y451 HydrophobicContact CB-CG 4.11Å; I180-Y451 HydrophobicContact CG1-CG 4.5Å; I180-W452 HydrophobicContact CD1-CD2 4.49Å; I180-P538 HydrophobicContact CD1-CB 4.26Å; I180-F543 HydrophobicContact CG2-CD1 4.39Å; I180-F543 HydrophobicContact CG2-CD2 4.28Å; I180-F543 HydrophobicContact CG2-CE1 3.76Å; I180-F543 HydrophobicContact CG2-CE2 3.63Å; I180-F543 HydrophobicContact CG2-CZ 3.33Å
181L79.3Confident74.8Confident120 Ų12063.6 Ų63.663%0.62832%0.323SS*.SBendtrans-88-25.3-177.4-66.1170.7000113.1S179 W184 F543S179-L181 PolarHBondContact O-N 2.99Å; S179-L181 PolarHBondContact OG-N 3.45Å; L181-W184 PolarHBondContact O-NE1 3.45Å; L181-F543 HydrophobicContact CD1-CZ 4.36Å; L181-F543 HydrophobicContact CD2-CZ 4.48Å; L181-F543 HydrophobicContact CG-CZ 4.25Å
182S74.1Confident73.9Confident65 Ų6566.7 Ų66.746%0.45534%0.338SS..SBendtrans-9511.5-171.255.80000115.1S179S179-S182 PolarHBondContact N-OG 3.39Å; S179-S182 PolarHBondContact O-N 3.14Å; S179-S182 PolarHBondContact O-OG 2.98Å; S179-S182 WeakPolarHBondContact OG-CB 3.4Å; S179-S182 PolarHBondContact OG-N 2.68Å; S179-S182 PolarHBondContact OG-OG 3.06Å
183G69.9Low72.8Confident0 Ų071.9 Ų71.90%036%0.358CS..  trans-12026.5-170.100000116.1E185 A448G183-E185 PolarHBondContact O-N 2.97Å; G183-A448 PolarHBondContact O-N 3.05Å
184W67.3Low71.8Confident186 Ų18671.6 Ų71.671%0.70536%0.357SS*.  trans-78.5-5.9179-63.779.9000113.5L181 I186L181-W184 PolarHBondContact O-NE1 3.45Å; W184-I186 PolarHBondContact O-N 3.31Å
185E69Low71.1Confident125 Ų12572.7 Ų72.758%0.58436%0.363SS*.  trans-68.9124.9-179.6-64.9-172.1-179.300111.3G183G183-E185 PolarHBondContact O-N 2.97Å
186I64.6Low70.9Confident91 Ų9171.2 Ų71.247%0.46736%0.356SS..  trans-89.9-8.9-177.2-69.3168.6000111.6W184 S188 W189W184-I186 PolarHBondContact O-N 3.31Å; I186-S188 VanDerWaalsContact C-N 3.29Å; I186-S188 PolarHBondContact O-N 3.38Å; I186-W189 HydrophobicContact CB-CH2 4.42Å; I186-W189 HydrophobicContact CB-CZ2 4.35Å; I186-W189 HydrophobicContact CD1-CH2 4.37Å; I186-W189 HydrophobicContact CG1-CH2 4.07Å; I186-W189 HydrophobicContact CG1-CZ2 4.03Å; I186-W189 HydrophobicContact CG2-CD2 3.72Å; I186-W189 HydrophobicContact CG2-CE3 3.47Å; I186-W189 VanDerWaalsContact CG2-CE3 3.47Å; I186-W189 HydrophobicContact CG2-CH2 3.64Å; I186-W189 HydrophobicContact CG2-CZ2 3.86Å; I186-W189 HydrophobicContact CG2-CZ3 3.45Å; I186-W189 VanDerWaalsContact CG2-CZ3 3.45Å; I186-W189 PolarHBondContact O-N 3.26Å
187T54.7Low71.1Confident114 Ų11470.8 Ų70.870%0.69936%0.356SS*.THydrogen-bonded Turntrans-69.5-12.5-156.431.50000115.9
188S63.7Low71.4Confident19 Ų1975.2 Ų75.213%0.13338%0.378CS..THydrogen-bonded Turntrans-100.74.2-17864.90000116M175 I186 F190 T191M175-S188 WeakPolarHBondContact SD-CB 3.5Å; M175-S188 PolarHBondContact SD-OG 3.32Å; I186-S188 VanDerWaalsContact C-N 3.29Å; I186-S188 PolarHBondContact O-N 3.38Å; S188-F190 PolarHBondContact O-N 3Å; S188-F190 VanDerWaalsContact O-N 3.1Å; S188-T191 PolarHBondContact O-N 2.99Å; S188-T191 PolarHBondContact O-OG1 3.29Å
189W63.9Low72.1Confident35 Ų3569 Ų6913%0.13335%0.345CS..THydrogen-bonded Turntrans-61.6-22.8-177.5-69.5-9.1000115.4I186 L197 V442 I445I186-W189 HydrophobicContact CB-CH2 4.42Å; I186-W189 HydrophobicContact CB-CZ2 4.35Å; I186-W189 HydrophobicContact CD1-CH2 4.37Å; I186-W189 HydrophobicContact CG1-CH2 4.07Å; I186-W189 HydrophobicContact CG1-CZ2 4.03Å; I186-W189 HydrophobicContact CG2-CD2 3.72Å; I186-W189 HydrophobicContact CG2-CE3 3.47Å; I186-W189 VanDerWaalsContact CG2-CE3 3.47Å; I186-W189 HydrophobicContact CG2-CH2 3.64Å; I186-W189 HydrophobicContact CG2-CZ2 3.86Å; I186-W189 HydrophobicContact CG2-CZ3 3.45Å; I186-W189 VanDerWaalsContact CG2-CZ3 3.45Å; I186-W189 PolarHBondContact O-N 3.26Å; W189-L197 HydrophobicContact CB-CB 3.82Å; W189-L197 HydrophobicContact CB-CD2 3.86Å; W189-L197 HydrophobicContact CB-CG 4.43Å; W189-L197 HydrophobicContact CD2-CB 4.34Å; W189-L197 HydrophobicContact CD2-CD1 4.26Å; W189-L197 HydrophobicContact CD2-CD2 4.18Å; W189-L197 HydrophobicContact CD2-CG 4.49Å; W189-L197 HydrophobicContact CE3-CD1 3.94Å; W189-L197 HydrophobicContact CE3-CD2 3.71Å; W189-L197 HydrophobicContact CE3-CG 4.3Å; W189-L197 HydrophobicContact CG-CB 4.02Å; W189-L197 HydrophobicContact CG-CD2 4.3Å; W189-L197 HydrophobicContact CZ3-CD1 4.26Å; W189-V442 HydrophobicContact CH2-CG1 3.69Å; W189-V442 HydrophobicContact CZ2-CG1 4.09Å; W189-I445 HydrophobicContact CH2-CD1 4.19Å; W189-I445 HydrophobicContact CZ2-CD1 3.78Å; W189-I445 HydrophobicContact CZ2-CG1 4.02Å; W189-I445 PolarHBondContact NE1-O 3.26Å
190F62.7Low72.8Confident174 Ų17467.6 Ų67.676%0.76334%0.335SS*.THydrogen-bonded Turntrans-98.9-9.9-177.6-62.6-76000113.6S188 L197S188-F190 PolarHBondContact O-N 3Å; S188-F190 VanDerWaalsContact O-N 3.1Å; F190-L197 HydrophobicContact CE1-CD2 4.46Å; F190-L197 HydrophobicContact CZ-CD2 4.4Å
191T69.1Low73.5Confident68 Ų6871.2 Ų71.242%0.41735%0.354SS..SBendtrans-78.9155176.8490000110.7S188 R193S188-T191 PolarHBondContact O-N 2.99Å; S188-T191 PolarHBondContact O-OG1 3.29Å; T191-R193 CarbonylContact C-O 3.38Å; T191-R193 WeakPolarHBondContact CB-O 3.5Å; T191-R193 CarbonylContact O-C 3.55Å; T191-R193 PolarHBondContact O-N 3.06Å; T191-R193 PolarHBondContact OG1-O 3.46Å
192I67.9Low74.3Confident105 Ų10566.7 Ų66.754%0.53834%0.336SS..SBendtrans-58.4-38173.2-66.8170.7000110.1
193R63.9Low75.4Confident113 Ų11363.6 Ų63.643%0.42631%0.314SS..THydrogen-bonded Turntrans-68.8132.7164.8-56-175.9178.2-161.6-5.1107S145 F172 M175 T191S145-R193 PolarHBondContact OG-NH2 3.43Å; F172-R193 HydrophobicContact CD2-CG 4.23Å; F172-R193 HydrophobicContact CE2-CG 3.83Å; M175-R193 HydrophobicContact CE-CB 3.27Å; M175-R193 WeakPolarHBondContact CE-O 3.38Å; T191-R193 CarbonylContact C-O 3.38Å; T191-R193 WeakPolarHBondContact CB-O 3.5Å; T191-R193 CarbonylContact O-C 3.55Å; T191-R193 PolarHBondContact O-N 3.06Å; T191-R193 PolarHBondContact OG1-O 3.46Å
194G67Low76.7Confident3 Ų364 Ų643%0.03132%0.316CS..THydrogen-bonded Turntrans7526.4177.900000115.4F172 I173 M175 I196F172-G194 PolarHBondContact O-N 2.04Å; I173-G194 WeakPolarHBondContact O-CA 3.4Å; M175-G194 VanDerWaalsContact CE-N 3.26Å; G194-I196 PolarHBondContact O-N 2.94Å
195L70.7Confident78.1Confident35 Ų3559.8 Ų59.818%0.18331%0.306CS..THydrogen-bonded Turntrans-66.452.7174.7-164.887.3000112.2F121 I198 P199F121-L195 HydrophobicContact CD1-CD2 4.14Å; F121-L195 HydrophobicContact CE1-CD2 4.17Å; L195-I198 HydrophobicContact CD1-CB 4.48Å; L195-I198 HydrophobicContact CD1-CD1 3.71Å; L195-I198 HydrophobicContact CD1-CG1 4.18Å; L195-I198 HydrophobicContact CG-CB 4.44Å; L195-P199 WeakPolarHBondContact O-CD 3.25Å; L195-P199 WeakPolarHBondContact O-CG 3.38Å
196I81.9Confident79.4Confident8 Ų855.4 Ų55.44%0.04129%0.29CS..THydrogen-bonded Turntrans-93.4-29.2179.5-162.3157000111.5Y111 L174 G194 P199 Y200 I445Y111-I196 HydrophobicContact CE2-CD1 3.85Å; L174-I196 HydrophobicContact CD2-CD1 3.76Å; G194-I196 PolarHBondContact O-N 2.94Å; I196-P199 WeakPolarHBondContact O-CD 3.21Å; I196-P199 WeakPolarHBondContact O-CG 3.19Å; I196-Y200 WeakPolarHBondContact O-CB 3.07Å; I196-Y200 PolarHBondContact O-N 3.42Å; I196-I445 HydrophobicContact CG1-CG2 4.25Å; I196-I445 HydrophobicContact CG2-CB 4.04Å
197L86.6Confident81Confident26 Ų2651.1 Ų51.114%0.13627%0.268CS..Hα-helixtrans-66-45.5-179-177.870.7000112.5W189 F190 Y200 L201 I445W189-L197 HydrophobicContact CB-CB 3.82Å; W189-L197 HydrophobicContact CB-CD2 3.86Å; W189-L197 HydrophobicContact CB-CG 4.43Å; W189-L197 HydrophobicContact CD2-CB 4.34Å; W189-L197 HydrophobicContact CD2-CD1 4.26Å; W189-L197 HydrophobicContact CD2-CD2 4.18Å; W189-L197 HydrophobicContact CD2-CG 4.49Å; W189-L197 HydrophobicContact CE3-CD1 3.94Å; W189-L197 HydrophobicContact CE3-CD2 3.71Å; W189-L197 HydrophobicContact CE3-CG 4.3Å; W189-L197 HydrophobicContact CG-CB 4.02Å; W189-L197 HydrophobicContact CG-CD2 4.3Å; W189-L197 HydrophobicContact CZ3-CD1 4.26Å; F190-L197 HydrophobicContact CE1-CD2 4.46Å; F190-L197 HydrophobicContact CZ-CD2 4.4Å; L197-Y200 WeakPolarHBondContact O-CB 3.41Å; L197-Y200 PolarHBondContact O-N 3.48Å; L197-L201 HydrophobicContact CD1-CG 4.48Å; L197-L201 HydrophobicContact CG-CD1 4.3Å; L197-L201 WeakPolarHBondContact O-CG 3.46Å; L197-L201 PolarHBondContact O-N 3.22Å; L197-I445 HydrophobicContact CD1-CD1 3.61Å
198I90.1Very high82.9Confident103 Ų10348.2 Ų48.253%0.52825%0.246SC..Hα-helixtrans-61.1-53.7179.8-57.5-170.1000111.8L195 Y200 L201 G202L195-I198 HydrophobicContact CD1-CB 4.48Å; L195-I198 HydrophobicContact CD1-CD1 3.71Å; L195-I198 HydrophobicContact CD1-CG1 4.18Å; L195-I198 HydrophobicContact CG-CB 4.44Å; I198-Y200 VanDerWaalsContact C-N 3.26Å; I198-Y200 PolarHBondContact O-N 2.93Å; I198-L201 PolarHBondContact O-N 3.35Å; I198-G202 PolarHBondContact O-N 2.81Å
199P92.3Very high84.5Confident14 Ų1452.6 Ų52.69%0.09127%0.267CS..Hα-helixtrans-68.1-25.4176.927.1-34.8000112.8A114 F117 L195 I196 G202 A203A114-P199 HydrophobicContact CB-CB 4.46Å; A114-P199 WeakPolarHBondContact O-CB 3.41Å; F117-P199 HydrophobicContact CB-CB 3.82Å; L195-P199 WeakPolarHBondContact O-CD 3.25Å; L195-P199 WeakPolarHBondContact O-CG 3.38Å; I196-P199 WeakPolarHBondContact O-CD 3.21Å; I196-P199 WeakPolarHBondContact O-CG 3.19Å; P199-G202 CarbonylContact O-C 3.59Å; P199-G202 PolarHBondContact O-N 2.79Å; P199-A203 WeakPolarHBondContact O-CB 3.34Å; P199-A203 PolarHBondContact O-N 2.91Å
200Y92.9Very high85.9Confident4 Ų451.4 Ų51.42%0.01626%0.263CS..Hα-helixtrans-64.3-51.1171.1179.9-98.8000111.5A114 I196 L197 I198 G202 A203 F204 A438 G441 I445A114-Y200 HydrophobicContact CB-CD2 4.45Å; I196-Y200 WeakPolarHBondContact O-CB 3.07Å; I196-Y200 PolarHBondContact O-N 3.42Å; L197-Y200 WeakPolarHBondContact O-CB 3.41Å; L197-Y200 PolarHBondContact O-N 3.48Å; I198-Y200 VanDerWaalsContact C-N 3.26Å; I198-Y200 PolarHBondContact O-N 2.93Å; Y200-G202 VanDerWaalsContact C-N 3.28Å; Y200-G202 PolarHBondContact O-N 2.68Å; Y200-A203 WeakPolarHBondContact O-CB 3.13Å; Y200-A203 PolarHBondContact O-N 2.99Å; Y200-A203 VanDerWaalsContact O-N 3.11Å; Y200-F204 HydrophobicContact CD1-CD2 4.24Å; Y200-F204 HydrophobicContact CD1-CE2 4.19Å; Y200-F204 AromaticContact CD2-CE2 3.99Å; Y200-F204 HydrophobicContact CD2-CE2 3.99Å; Y200-F204 HydrophobicContact CE1-CD2 4Å; Y200-F204 AromaticContact CE1-CE2 3.63Å; Y200-F204 HydrophobicContact CE1-CE2 3.63Å; Y200-F204 HydrophobicContact CE2-CD2 4.32Å; Y200-F204 AromaticContact CE2-CE2 3.44Å; Y200-F204 HydrophobicContact CE2-CE2 3.44Å; Y200-F204 VanDerWaalsContact CE2-CE2 3.44Å; Y200-F204 HydrophobicContact CE2-CZ 4.26Å; Y200-F204 HydrophobicContact CG-CD2 4.49Å; Y200-F204 HydrophobicContact CG-CE2 4.35Å; Y200-F204 AromaticContact CZ-CE2 3.22Å; Y200-F204 AromaticContact CZ-CZ 3.91Å; Y200-F204 WeakPolarHBondContact O-CD2 3.5Å; Y200-F204 PolarHBondContact O-N 3.02Å; Y200-F204 VanDerWaalsContact O-N 3.16Å; Y200-F204 WeakPolarHBondContact OH-CE2 3.46Å; Y200-A438 PolarHBondContact OH-O 3.29Å; Y200-G441 VanDerWaalsContact OH-C 3.23Å; Y200-G441 WeakPolarHBondContact OH-CA 3.39Å; Y200-I445 HydrophobicContact CD1-CD1 4.2Å; Y200-I445 HydrophobicContact CD1-CG2 4.33Å; Y200-I445 HydrophobicContact CD2-CG2 3.44Å; Y200-I445 VanDerWaalsContact CD2-CG2 3.44Å; Y200-I445 HydrophobicContact CE1-CD1 4.43Å; Y200-I445 HydrophobicContact CE2-CG2 3.77Å; Y200-I445 HydrophobicContact CG-CG2 3.74Å
201L93.1Very high87.5Confident88 Ų8843.1 Ų43.146%0.46123%0.227SC..Hα-helixtrans-59.7-41.1172.5-67.8176.1000111.3L197 I198 A203 F204 I205L197-L201 HydrophobicContact CD1-CG 4.48Å; L197-L201 HydrophobicContact CG-CD1 4.3Å; L197-L201 WeakPolarHBondContact O-CG 3.46Å; L197-L201 PolarHBondContact O-N 3.22Å; I198-L201 PolarHBondContact O-N 3.35Å; L201-A203 VanDerWaalsContact C-N 3.31Å; L201-A203 PolarHBondContact O-N 3.07Å; L201-F204 PolarHBondContact O-N 3.38Å; L201-I205 WeakPolarHBondContact O-CB 3.19Å; L201-I205 WeakPolarHBondContact O-CD1 3.45Å; L201-I205 VanDerWaalsContact O-CG1 3.22Å; L201-I205 WeakPolarHBondContact O-CG1 3.44Å; L201-I205 PolarHBondContact O-N 2.97Å
202G95.1Very high88.7Confident24 Ų2442.7 Ų42.725%0.24722%0.221CC..Hα-helixtrans-57.8-39.2173.600000113.3I198 P199 Y200 S206I198-G202 PolarHBondContact O-N 2.81Å; P199-G202 CarbonylContact O-C 3.59Å; P199-G202 PolarHBondContact O-N 2.79Å; Y200-G202 VanDerWaalsContact C-N 3.28Å; Y200-G202 PolarHBondContact O-N 2.68Å; G202-S206 VanDerWaalsContact O-CB 3.27Å; G202-S206 WeakPolarHBondContact O-CB 3.34Å; G202-S206 PolarHBondContact O-N 3.42Å; G202-S206 PolarHBondContact O-OG 2.72Å
203A97Very high89.7Confident0 Ų039.1 Ų39.10%021%0.21CC..Hα-helixtrans-63.4-49.8175.600000111.5L113 A114 F117 P199 Y200 L201 I205 S206 I207L113-A203 HydrophobicContact CB-CB 4.16Å; L113-A203 HydrophobicContact CD2-CB 3.87Å; L113-A203 HydrophobicContact CG-CB 3.89Å; A114-A203 HydrophobicContact CB-CB 4.39Å; F117-A203 HydrophobicContact CD2-CB 4.41Å; F117-A203 HydrophobicContact CE2-CB 4.35Å; P199-A203 WeakPolarHBondContact O-CB 3.34Å; P199-A203 PolarHBondContact O-N 2.91Å; Y200-A203 WeakPolarHBondContact O-CB 3.13Å; Y200-A203 PolarHBondContact O-N 2.99Å; Y200-A203 VanDerWaalsContact O-N 3.11Å; L201-A203 VanDerWaalsContact C-N 3.31Å; L201-A203 PolarHBondContact O-N 3.07Å; A203-I205 PolarHBondContact O-N 2.94Å; A203-S206 PolarHBondContact O-N 3.16Å; A203-I207 WeakPolarHBondContact O-CD1 3.39Å; A203-I207 VanDerWaalsContact O-CG1 3.24Å; A203-I207 WeakPolarHBondContact O-CG1 3.38Å; A203-I207 PolarHBondContact O-N 3.38Å
204F96.8Very high91Very high9 Ų934 Ų344%0.03919%0.193CC..Hα-helixtrans-64-41.1177.2-79.3-87000112.6F106 A110 Y200 L201 S206 I207 F208 I434 L437 A438F106-F204 HydrophobicContact CD1-CE1 4.31Å; F106-F204 HydrophobicContact CE1-CD1 4.07Å; F106-F204 AromaticContact CE1-CE1 3.6Å; F106-F204 HydrophobicContact CE1-CE1 3.6Å; F106-F204 HydrophobicContact CE1-CZ 4.46Å; F106-F204 HydrophobicContact CZ-CE1 4.48Å; A110-F204 HydrophobicContact CB-CD2 4.45Å; A110-F204 HydrophobicContact CB-CE1 4.43Å; A110-F204 HydrophobicContact CB-CE2 3.73Å; A110-F204 HydrophobicContact CB-CZ 3.76Å; Y200-F204 HydrophobicContact CD1-CD2 4.24Å; Y200-F204 HydrophobicContact CD1-CE2 4.19Å; Y200-F204 AromaticContact CD2-CE2 3.99Å; Y200-F204 HydrophobicContact CD2-CE2 3.99Å; Y200-F204 HydrophobicContact CE1-CD2 4Å; Y200-F204 AromaticContact CE1-CE2 3.63Å; Y200-F204 HydrophobicContact CE1-CE2 3.63Å; Y200-F204 HydrophobicContact CE2-CD2 4.32Å; Y200-F204 AromaticContact CE2-CE2 3.44Å; Y200-F204 HydrophobicContact CE2-CE2 3.44Å; Y200-F204 VanDerWaalsContact CE2-CE2 3.44Å; Y200-F204 HydrophobicContact CE2-CZ 4.26Å; Y200-F204 HydrophobicContact CG-CD2 4.49Å; Y200-F204 HydrophobicContact CG-CE2 4.35Å; Y200-F204 AromaticContact CZ-CE2 3.22Å; Y200-F204 AromaticContact CZ-CZ 3.91Å; Y200-F204 WeakPolarHBondContact O-CD2 3.5Å; Y200-F204 PolarHBondContact O-N 3.02Å; Y200-F204 VanDerWaalsContact O-N 3.16Å; Y200-F204 WeakPolarHBondContact OH-CE2 3.46Å; L201-F204 PolarHBondContact O-N 3.38Å; F204-S206 VanDerWaalsContact C-N 3.34Å; F204-I207 PolarHBondContact O-N 3.46Å; F204-F208 VanDerWaalsContact O-CB 3.26Å; F204-F208 WeakPolarHBondContact O-CB 3.49Å; F204-F208 PolarHBondContact O-N 3.28Å; F204-I434 HydrophobicContact CB-CG2 4.48Å; F204-I434 HydrophobicContact CD1-CG2 4Å; F204-L437 HydrophobicContact CE1-CB 4.39Å; F204-A438 HydrophobicContact CD1-CB 3.84Å; F204-A438 HydrophobicContact CD2-CB 4.23Å; F204-A438 HydrophobicContact CE1-CB 3.69Å; F204-A438 HydrophobicContact CE2-CB 4.22Å; F204-A438 HydrophobicContact CG-CB 4.08Å; F204-A438 VanDerWaalsContact CZ-CA 3.47Å; F204-A438 HydrophobicContact CZ-CB 3.93Å
205I96.7Very high92.1Very high97 Ų9734.5 Ų34.550%0.49720%0.195SC..Hα-helixtrans-62.3-43.8176-68.3165.3000110.2L201 A203 I207 F208 L209L201-I205 WeakPolarHBondContact O-CB 3.19Å; L201-I205 WeakPolarHBondContact O-CD1 3.45Å; L201-I205 VanDerWaalsContact O-CG1 3.22Å; L201-I205 WeakPolarHBondContact O-CG1 3.44Å; L201-I205 PolarHBondContact O-N 2.97Å; A203-I205 PolarHBondContact O-N 2.94Å; I205-I207 PolarHBondContact O-N 3.25Å; I205-F208 WeakPolarHBondContact O-CB 3.21Å; I205-F208 PolarHBondContact O-N 3.39Å; I205-L209 HydrophobicContact CG2-CD1 3.96Å; I205-L209 HydrophobicContact CG2-CG 4.33Å; I205-L209 VanDerWaalsContact O-CG 3.28Å; I205-L209 WeakPolarHBondContact O-CG 3.43Å; I205-L209 PolarHBondContact O-N 3.3Å
206S97.2Very high93Very high34 Ų3439.3 Ų39.324%0.23821%0.211CC..Hα-helixtrans-63.4-44.6179.4-590000111.6G202 A203 F204 L209 M210 L393G202-S206 VanDerWaalsContact O-CB 3.27Å; G202-S206 WeakPolarHBondContact O-CB 3.34Å; G202-S206 PolarHBondContact O-N 3.42Å; G202-S206 PolarHBondContact O-OG 2.72Å; A203-S206 PolarHBondContact O-N 3.16Å; F204-S206 VanDerWaalsContact C-N 3.34Å; S206-L209 PolarHBondContact O-N 3.19Å; S206-M210 WeakPolarHBondContact O-CG 3.28Å; S206-M210 PolarHBondContact O-N 2.88Å; S206-L393 VanDerWaalsContact CB-CD1 3.49Å
207I97.1Very high93.5Very high0 Ų042 Ų420%023%0.228CC..Hα-helixtrans-64.7-40.4176-64.3162.1000111.1F106 A110 L113 A203 F204 I205 M210 T211 Q396 L400F106-I207 HydrophobicContact CE2-CD1 4.17Å; F106-I207 HydrophobicContact CE2-CG2 3.72Å; F106-I207 HydrophobicContact CZ-CB 4.49Å; F106-I207 HydrophobicContact CZ-CD1 4.04Å; F106-I207 HydrophobicContact CZ-CG2 3.72Å; A110-I207 HydrophobicContact CB-CD1 4.34Å; L113-I207 HydrophobicContact CD2-CD1 4.02Å; L113-I207 HydrophobicContact CD2-CG1 4.06Å; A203-I207 WeakPolarHBondContact O-CD1 3.39Å; A203-I207 VanDerWaalsContact O-CG1 3.24Å; A203-I207 WeakPolarHBondContact O-CG1 3.38Å; A203-I207 PolarHBondContact O-N 3.38Å; F204-I207 PolarHBondContact O-N 3.46Å; I205-I207 PolarHBondContact O-N 3.25Å; I207-M210 PolarHBondContact O-N 2.82Å; I207-T211 WeakPolarHBondContact O-CG2 3.33Å; I207-T211 PolarHBondContact O-N 2.82Å; I207-T211 PolarHBondContact O-OG1 3.01Å; I207-Q396 HydrophobicContact CD1-CB 3.77Å; I207-Q396 HydrophobicContact CD1-CG 4.14Å; I207-Q396 HydrophobicContact CG1-CB 4.03Å; I207-L400 HydrophobicContact CG2-CD2 3.75Å
208F96.4Very high93.9Very high54 Ų5440.8 Ų40.824%0.23722%0.221CC..Hα-helixtrans-60-50.1176173.7-115.3000111.7F204 I205 M210 T211 I212 I430 I431 I434F204-F208 VanDerWaalsContact O-CB 3.26Å; F204-F208 WeakPolarHBondContact O-CB 3.49Å; F204-F208 PolarHBondContact O-N 3.28Å; I205-F208 WeakPolarHBondContact O-CB 3.21Å; I205-F208 PolarHBondContact O-N 3.39Å; F208-M210 VanDerWaalsContact C-N 3.26Å; F208-M210 PolarHBondContact O-N 3.23Å; F208-T211 PolarHBondContact O-N 3.14Å; F208-T211 VanDerWaalsContact O-N 3.09Å; F208-T211 PolarHBondContact O-OG1 3.37Å; F208-I212 HydrophobicContact CD2-CB 4.35Å; F208-I212 HydrophobicContact CE1-CD1 3.87Å; F208-I212 HydrophobicContact CE2-CB 4.07Å; F208-I212 HydrophobicContact CE2-CD1 3.85Å; F208-I212 HydrophobicContact CE2-CG1 3.91Å; F208-I212 HydrophobicContact CZ-CB 4.3Å; F208-I212 HydrophobicContact CZ-CD1 3.32Å; F208-I212 HydrophobicContact CZ-CG1 3.94Å; F208-I212 WeakPolarHBondContact O-CB 3.29Å; F208-I212 PolarHBondContact O-N 3.12Å; F208-I430 HydrophobicContact CD2-CG2 4Å; F208-I430 HydrophobicContact CE2-CG2 4.32Å; F208-I431 HydrophobicContact CE2-CD1 4.42Å; F208-I431 HydrophobicContact CE2-CG1 3.6Å; F208-I431 HydrophobicContact CZ-CD1 4.49Å; F208-I431 HydrophobicContact CZ-CG1 4.08Å; F208-I434 HydrophobicContact CB-CD1 3.63Å; F208-I434 HydrophobicContact CD2-CD1 3.82Å; F208-I434 HydrophobicContact CG-CD1 4.21Å
209L95.9Very high94.1Very high111 Ų11135.9 Ų35.958%0.58120%0.196SC*.Hα-helixtrans-60-35.9-179.9-71.3173.5000112.3I205 S206I205-L209 HydrophobicContact CG2-CD1 3.96Å; I205-L209 HydrophobicContact CG2-CG 4.33Å; I205-L209 VanDerWaalsContact O-CG 3.28Å; I205-L209 WeakPolarHBondContact O-CG 3.43Å; I205-L209 PolarHBondContact O-N 3.3Å; S206-L209 PolarHBondContact O-N 3.19Å
210M94.7Very high94.1Very high10 Ų1041.2 Ų41.25%0.04922%0.221CC..Hα-helixtrans-70.3-32.5175.8-72.3-177.986.300114.3S206 I207 F208 F218 L221 L225 L393 L394 A397S206-M210 WeakPolarHBondContact O-CG 3.28Å; S206-M210 PolarHBondContact O-N 2.88Å; I207-M210 PolarHBondContact O-N 2.82Å; F208-M210 VanDerWaalsContact C-N 3.26Å; F208-M210 PolarHBondContact O-N 3.23Å; M210-F218 HydrophobicContact CE-CD2 4.26Å; M210-F218 HydrophobicContact CE-CE2 3.8Å; M210-L221 HydrophobicContact CB-CD1 4.45Å; M210-L221 HydrophobicContact CG-CD1 4.44Å; M210-L225 HydrophobicContact CE-CD1 3.72Å; M210-L393 HydrophobicContact CE-CD2 3.57Å; M210-L393 HydrophobicContact CE-CG 4.28Å; M210-L393 HydrophobicContact CG-CD2 4.37Å; M210-L393 HydrophobicContact SD-CD1 3.9Å; M210-L393 HydrophobicContact SD-CD2 3.06Å; M210-L393 WeakPolarHBondContact SD-CD2 3.42Å; M210-L393 HydrophobicContact SD-CG 3.25Å; M210-L393 WeakPolarHBondContact SD-CG 3.47Å; M210-L394 HydrophobicContact CE-CD2 3.87Å; M210-A397 HydrophobicContact CB-CB 4.19Å; M210-A397 HydrophobicContact CE-CB 3.88Å; M210-A397 HydrophobicContact SD-CB 3.81Å
211T94.9Very high94.2Very high0 Ų043.6 Ų43.60%023%0.234CC..Hα-helixtrans-102.3-23.2-168.6550000113.6I207 F208 G213 G214 A397 L400 I430I207-T211 WeakPolarHBondContact O-CG2 3.33Å; I207-T211 PolarHBondContact O-N 2.82Å; I207-T211 PolarHBondContact O-OG1 3.01Å; F208-T211 PolarHBondContact O-N 3.14Å; F208-T211 VanDerWaalsContact O-N 3.09Å; F208-T211 PolarHBondContact O-OG1 3.37Å; T211-G213 PolarHBondContact O-N 3.15Å; T211-G214 PolarHBondContact O-N 2.95Å; T211-A397 HydrophobicContact CG2-CB 3.85Å; T211-L400 HydrophobicContact CG2-CB 4.43Å; T211-L400 HydrophobicContact CG2-CD2 4.1Å; T211-L400 HydrophobicContact CG2-CG 4.48Å; T211-I430 VanDerWaalsContact O-CD1 3.32Å; T211-I430 WeakPolarHBondContact O-CD1 3.5Å
212I93.7Very high94.4Very high58 Ų5839.4 Ų39.430%0.29721%0.212SC..THydrogen-bonded Turntrans-58.2-34.1-178.6-165.4-174.5000113.3F208 G214F208-I212 HydrophobicContact CD2-CB 4.35Å; F208-I212 HydrophobicContact CE1-CD1 3.87Å; F208-I212 HydrophobicContact CE2-CB 4.07Å; F208-I212 HydrophobicContact CE2-CD1 3.85Å; F208-I212 HydrophobicContact CE2-CG1 3.91Å; F208-I212 HydrophobicContact CZ-CB 4.3Å; F208-I212 HydrophobicContact CZ-CD1 3.32Å; F208-I212 HydrophobicContact CZ-CG1 3.94Å; F208-I212 WeakPolarHBondContact O-CB 3.29Å; F208-I212 PolarHBondContact O-N 3.12Å; I212-G214 PolarHBondContact O-N 3.36Å
213G89.6Confident94.4Very high31 Ų3142.8 Ų42.832%0.3222%0.218SC..THydrogen-bonded Turntrans-71.9-6.2177.400000114T211 V217T211-G213 PolarHBondContact O-N 3.15Å; G213-V217 VanDerWaalsContact O-CG2 3.3Å; G213-V217 WeakPolarHBondContact O-CG2 3.31Å
214G91.2Very high94.4Very high5 Ų548.6 Ų48.65%0.05225%0.248CC..Hα-helixtrans75.1-174.4-177.400000113.7T211 I212 R216 V217 F218T211-G214 PolarHBondContact O-N 2.95Å; I212-G214 PolarHBondContact O-N 3.36Å; G214-R216 VanDerWaalsContact C-N 3.26Å; G214-R216 PolarHBondContact O-N 3.49Å; G214-V217 PolarHBondContact O-N 3.21Å; G214-F218 PolarHBondContact O-N 3.29Å
215P91.2Very high94.4Very high13 Ų1349.7 Ų49.78%0.08425%0.254CS..Hα-helixtrans-61.2-31-173.420.2-31.5000113.5W18 G219 L309 L401W18-P215 HydrophobicContact CZ2-CB 4.38Å; W18-P215 PolarHBondContact NE1-O 3.11Å; P215-G219 PolarHBondContact O-N 3.2Å; P215-L309 HydrophobicContact CB-CD1 3.87Å; P215-L309 HydrophobicContact CB-CD2 3.66Å; P215-L309 HydrophobicContact CB-CG 4.44Å; P215-L309 HydrophobicContact CG-CD2 3.95Å; P215-L401 HydrophobicContact CB-CD1 4.02Å; P215-L401 HydrophobicContact CB-CD2 4.29Å; P215-L401 HydrophobicContact CG-CD1 4.44Å
216R89.8Confident94.4Very high136 Ų13645 Ų4551%0.51323%0.23SC..Hα-helixtrans-67.6-46.8179.5-65.4-175.7-170.8160.15.5111.9G214 G219 M220 E419G214-R216 VanDerWaalsContact C-N 3.26Å; G214-R216 PolarHBondContact O-N 3.49Å; R216-G219 PolarHBondContact O-N 3.21Å; R216-M220 WeakPolarHBondContact O-CG 3.22Å; R216-M220 PolarHBondContact O-N 3.5Å; R216-E419 IonicContact NH2-OE1 3.74Å
217V92.2Very high94.4Very high65 Ų6546 Ų4639%0.39424%0.236SC..Hα-helixtrans-71.1-41.7179.2176.50000110.5G213 G214 G219 M220 L221G213-V217 VanDerWaalsContact O-CG2 3.3Å; G213-V217 WeakPolarHBondContact O-CG2 3.31Å; G214-V217 PolarHBondContact O-N 3.21Å; V217-G219 VanDerWaalsContact C-N 3.28Å; V217-G219 PolarHBondContact O-N 3.46Å; V217-M220 WeakPolarHBondContact O-CA 3.36Å; V217-M220 WeakPolarHBondContact O-CB 3.45Å; V217-M220 PolarHBondContact O-N 3.26Å; V217-L221 HydrophobicContact CG1-CD1 4.28Å; V217-L221 HydrophobicContact CG1-CG 4.41Å; V217-L221 WeakPolarHBondContact O-CG 3.43Å; V217-L221 PolarHBondContact O-N 3.14Å
218F95.1Very high94.4Very high1 Ų149.5 Ų49.50%0.00425%0.254CS..Hα-helixtrans-55.2-45.7173.5-179.9-104.5000111.5W18 L26 M210 G214 M220 L221 L222 A397 L398 L401W18-F218 HydrophobicContact CH2-CD1 4.28Å; W18-F218 HydrophobicContact CH2-CE1 4.39Å; W18-F218 AromaticContact CZ2-CD1 3.92Å; W18-F218 HydrophobicContact CZ2-CD1 3.92Å; W18-F218 HydrophobicContact CZ2-CE1 4.47Å; L26-F218 HydrophobicContact CD1-CE1 4.05Å; M210-F218 HydrophobicContact CE-CD2 4.26Å; M210-F218 HydrophobicContact CE-CE2 3.8Å; G214-F218 PolarHBondContact O-N 3.29Å; F218-M220 VanDerWaalsContact C-N 3.26Å; F218-M220 PolarHBondContact O-N 2.99Å; F218-L221 PolarHBondContact O-N 3.35Å; F218-L221 VanDerWaalsContact O-N 3.15Å; F218-L222 HydrophobicContact CD1-CD1 4.22Å; F218-L222 HydrophobicContact CD1-CG 4.42Å; F218-L222 HydrophobicContact CE1-CD1 3.86Å; F218-L222 HydrophobicContact CE1-CD2 4.21Å; F218-L222 HydrophobicContact CE1-CG 4.11Å; F218-L222 HydrophobicContact CZ-CD1 4.49Å; F218-L222 HydrophobicContact CZ-CD2 4.01Å; F218-L222 HydrophobicContact CZ-CG 4.33Å; F218-L222 WeakPolarHBondContact O-CG 3.04Å; F218-L222 PolarHBondContact O-N 3Å; F218-A397 HydrophobicContact CD2-CB 4.16Å; F218-A397 HydrophobicContact CE2-CB 3.5Å; F218-A397 HydrophobicContact CZ-CB 4.27Å; F218-L398 HydrophobicContact CZ-CB 4.46Å; F218-L401 HydrophobicContact CB-CD2 4.44Å; F218-L401 HydrophobicContact CD1-CD2 3.66Å; F218-L401 HydrophobicContact CE1-CD2 4.18Å; F218-L401 HydrophobicContact CG-CD2 4.17Å
219G92.5Very high94.5Very high0 Ų046.9 Ų46.90%024%0.243CC..Hα-helixtrans-61.1-29.5174.700000114.3Q22 P215 R216 V217Q22-G219 WeakPolarHBondContact CG-O 3.48Å; Q22-G219 PolarHBondContact NE2-O 3.24Å; P215-G219 PolarHBondContact O-N 3.2Å; R216-G219 PolarHBondContact O-N 3.21Å; V217-G219 VanDerWaalsContact C-N 3.28Å; V217-G219 PolarHBondContact O-N 3.46Å
220M93.8Very high94.5Very high125 Ų12543.9 Ų43.962%0.61623%0.226SC*.Hα-helixtrans-74.6-41.8173.2-66.9-63.5-17100111.7R216 V217 F218 L222 Y223R216-M220 WeakPolarHBondContact O-CG 3.22Å; R216-M220 PolarHBondContact O-N 3.5Å; V217-M220 WeakPolarHBondContact O-CA 3.36Å; V217-M220 WeakPolarHBondContact O-CB 3.45Å; V217-M220 PolarHBondContact O-N 3.26Å; F218-M220 VanDerWaalsContact C-N 3.26Å; F218-M220 PolarHBondContact O-N 2.99Å; M220-L222 PolarHBondContact O-N 3.36Å; M220-Y223 WeakPolarHBondContact O-CB 3.34Å; M220-Y223 PolarHBondContact O-N 3.39Å; M220-Y223 VanDerWaalsContact O-N 3.16Å; M220-Y223 HydrophobicContact SD-CD2 4.34Å; M220-Y223 HydrophobicContact SD-CE2 4.17Å
221L95.5Very high94.7Very high55 Ų5547.4 Ų47.429%0.28825%0.251SS..Hα-helixtrans-61.9-32.9177-68.6173.3000112.3M210 V217 F218 Y223 I224 L225M210-L221 HydrophobicContact CB-CD1 4.45Å; M210-L221 HydrophobicContact CG-CD1 4.44Å; V217-L221 HydrophobicContact CG1-CD1 4.28Å; V217-L221 HydrophobicContact CG1-CG 4.41Å; V217-L221 WeakPolarHBondContact O-CG 3.43Å; V217-L221 PolarHBondContact O-N 3.14Å; F218-L221 PolarHBondContact O-N 3.35Å; F218-L221 VanDerWaalsContact O-N 3.15Å; L221-Y223 PolarHBondContact O-N 3.48Å; L221-I224 PolarHBondContact O-N 3.46Å; L221-L225 HydrophobicContact CB-CD1 4.16Å; L221-L225 PolarHBondContact O-N 2.91Å
222L95.7Very high94.8Very high0 Ų049.1 Ų49.10%026%0.26CS..Hα-helixtrans-57.2-32175.2-73.8178.2000113.1L25 L26 F218 M220 I224 S226 P227 L394L25-L222 HydrophobicContact CB-CB 4.4Å; L26-L222 HydrophobicContact CD1-CD1 3.84Å; F218-L222 HydrophobicContact CD1-CD1 4.22Å; F218-L222 HydrophobicContact CD1-CG 4.42Å; F218-L222 HydrophobicContact CE1-CD1 3.86Å; F218-L222 HydrophobicContact CE1-CD2 4.21Å; F218-L222 HydrophobicContact CE1-CG 4.11Å; F218-L222 HydrophobicContact CZ-CD1 4.49Å; F218-L222 HydrophobicContact CZ-CD2 4.01Å; F218-L222 HydrophobicContact CZ-CG 4.33Å; F218-L222 WeakPolarHBondContact O-CG 3.04Å; F218-L222 PolarHBondContact O-N 3Å; M220-L222 PolarHBondContact O-N 3.36Å; L222-I224 PolarHBondContact O-N 3.24Å; L222-S226 VanDerWaalsContact O-CB 3.22Å; L222-S226 WeakPolarHBondContact O-CB 3.47Å; L222-S226 PolarHBondContact O-N 3.1Å; L222-P227 WeakPolarHBondContact O-CD 3.46Å; L222-L394 HydrophobicContact CD2-CD2 3.58Å
223Y95.8Very high95Very high94 Ų9446.3 Ų46.337%0.36925%0.246SC..Hα-helixtrans-62.8-23.9177.6-72.7-67.7000113.6S19 M21 Q22 L25 M220 L221 P227S19-Y223 PolarHBondContact OG-OH 3.33Å; M21-Y223 HydrophobicContact CB-CE1 4.05Å; M21-Y223 HydrophobicContact CG-CD1 4.3Å; M21-Y223 HydrophobicContact CG-CE1 3.59Å; Q22-Y223 HydrophobicContact CG-CE1 4.31Å; Q22-Y223 HydrophobicContact CG-CE2 3.71Å; Q22-Y223 VanDerWaalsContact NE2-CE2 3.32Å; L25-Y223 HydrophobicContact CD1-CD1 3.57Å; L25-Y223 HydrophobicContact CD1-CE1 4.12Å; L25-Y223 HydrophobicContact CD1-CG 4.26Å; M220-Y223 WeakPolarHBondContact O-CB 3.34Å; M220-Y223 PolarHBondContact O-N 3.39Å; M220-Y223 VanDerWaalsContact O-N 3.16Å; M220-Y223 HydrophobicContact SD-CD2 4.34Å; M220-Y223 HydrophobicContact SD-CE2 4.17Å; L221-Y223 PolarHBondContact O-N 3.48Å; Y223-P227 WeakPolarHBondContact O-CG 3.46Å
224I96.4Very high95.3Very high122 Ų12246.6 Ų46.663%0.62624%0.243SC*.Hα-helixtrans-105.2-52.9-178.7-59.5174.9000110.3L221 L222 L228L221-I224 PolarHBondContact O-N 3.46Å; L222-I224 PolarHBondContact O-N 3.24Å; I224-L228 VanDerWaalsContact O-CB 3.23Å; I224-L228 WeakPolarHBondContact O-CB 3.09Å; I224-L228 PolarHBondContact O-N 3.41Å; I224-L228 VanDerWaalsContact O-N 3.15Å
225L96.9Very high95.6Very high32 Ų3247.8 Ų47.817%0.16826%0.255CS..Hα-helixtrans-70.7-36.3-170.7-64.4177.2000113.1M210 L221 A229 L390 L393 L394M210-L225 HydrophobicContact CE-CD1 3.72Å; L221-L225 HydrophobicContact CB-CD1 4.16Å; L221-L225 PolarHBondContact O-N 2.91Å; L225-A229 WeakPolarHBondContact O-CB 3.35Å; L225-A229 PolarHBondContact O-N 3.43Å; L225-L390 HydrophobicContact CD2-CD2 4.01Å; L225-L393 HydrophobicContact CD1-CD2 4.44Å; L225-L394 HydrophobicContact CB-CD2 4.23Å
226S96.7Very high95.9Very high0 Ų047.1 Ų47.10%025%0.251CS..Hα-helixtrans-68.3-52.5-178.8176.30000111.7L25 S28 L222 L228 A229 I230L25-S226 PolarHBondContact O-OG 2.94Å; S28-S226 VanDerWaalsContact CB-OG 3.3Å; S28-S226 WeakPolarHBondContact CB-OG 2.99Å; S28-S226 VanDerWaalsContact OG-CB 3.27Å; S28-S226 WeakPolarHBondContact OG-CB 3.36Å; S28-S226 PolarHBondContact OG-OG 3.41Å; L222-S226 VanDerWaalsContact O-CB 3.22Å; L222-S226 WeakPolarHBondContact O-CB 3.47Å; L222-S226 PolarHBondContact O-N 3.1Å; S226-L228 VanDerWaalsContact C-N 3.29Å; S226-L228 PolarHBondContact O-N 3.34Å; S226-A229 PolarHBondContact O-N 3.34Å; S226-I230 WeakPolarHBondContact O-CD1 3.47Å; S226-I230 VanDerWaalsContact O-CG1 3.26Å; S226-I230 WeakPolarHBondContact O-CG1 3.15Å; S226-I230 PolarHBondContact O-N 3Å; S226-I230 VanDerWaalsContact O-N 3.1Å
227P97.3Very high96.3Very high54 Ų5442 Ų4235%0.35123%0.233SC..Hα-helixtrans-60.8-36.5174.1-24.936.3000113.3L25 L222 Y223 I230 C231L25-P227 HydrophobicContact CD2-CG 3.89Å; L222-P227 WeakPolarHBondContact O-CD 3.46Å; Y223-P227 WeakPolarHBondContact O-CG 3.46Å; P227-I230 PolarHBondContact O-N 2.92Å; P227-C231 WeakPolarHBondContact O-CB 3.43Å; P227-C231 PolarHBondContact O-N 3.38Å
228L97.6Very high96.5Very high73 Ų7343.8 Ų43.838%0.38224%0.24SC..Hα-helixtrans-60.4-49.9176.617962.4000111.3I224 S226 I230 C231 L232 L390I224-L228 VanDerWaalsContact O-CB 3.23Å; I224-L228 WeakPolarHBondContact O-CB 3.09Å; I224-L228 PolarHBondContact O-N 3.41Å; I224-L228 VanDerWaalsContact O-N 3.15Å; S226-L228 VanDerWaalsContact C-N 3.29Å; S226-L228 PolarHBondContact O-N 3.34Å; L228-I230 VanDerWaalsContact C-N 3.35Å; L228-I230 PolarHBondContact O-N 2.86Å; L228-C231 PolarHBondContact O-N 2.92Å; L228-L232 HydrophobicContact CD1-CD1 3.9Å; L228-L232 HydrophobicContact CD1-CG 4.13Å; L228-L232 HydrophobicContact CG-CD1 3.86Å; L228-L232 WeakPolarHBondContact O-CB 3.42Å; L228-L232 WeakPolarHBondContact O-CD1 3.39Å; L228-L232 WeakPolarHBondContact O-CG 3.43Å; L228-L232 PolarHBondContact O-N 2.86Å; L228-L390 HydrophobicContact CB-CD1 4.33Å; L228-L390 HydrophobicContact CD2-CD1 3.74Å; L228-L390 HydrophobicContact CG-CD1 3.76Å
229A97.5Very high96.5Very high0 Ų045.8 Ų45.80%025%0.252CS..Hα-helixtrans-60-44.6178.700000112.1L225 S226 L232 L233 L390 F391 L394L225-A229 WeakPolarHBondContact O-CB 3.35Å; L225-A229 PolarHBondContact O-N 3.43Å; S226-A229 PolarHBondContact O-N 3.34Å; A229-L232 PolarHBondContact O-N 3.28Å; A229-L233 PolarHBondContact O-N 2.99Å; A229-L233 VanDerWaalsContact O-N 3.11Å; A229-L390 HydrophobicContact CB-CB 3.74Å; A229-L390 HydrophobicContact CB-CD1 4.12Å; A229-F391 HydrophobicContact CB-CD1 4.4Å; A229-F391 HydrophobicContact CB-CD2 3.9Å; A229-F391 HydrophobicContact CB-CE1 4.28Å; A229-F391 HydrophobicContact CB-CE2 3.68Å; A229-F391 HydrophobicContact CB-CG 4.26Å; A229-F391 HydrophobicContact CB-CZ 3.92Å; A229-F391 WeakPolarHBondContact O-CE2 3.32Å; A229-L394 HydrophobicContact CB-CD1 4.4Å
230I97.2Very high96.7Very high47 Ų4745.8 Ų45.824%0.24125%0.252CS..Hα-helixtrans-63.6-45.4178.2-62.7165.8000110.7S226 P227 L228 S234 L331 F391S226-I230 WeakPolarHBondContact O-CD1 3.47Å; S226-I230 VanDerWaalsContact O-CG1 3.26Å; S226-I230 WeakPolarHBondContact O-CG1 3.15Å; S226-I230 PolarHBondContact O-N 3Å; S226-I230 VanDerWaalsContact O-N 3.1Å; P227-I230 PolarHBondContact O-N 2.92Å; L228-I230 VanDerWaalsContact C-N 3.35Å; L228-I230 PolarHBondContact O-N 2.86Å; I230-S234 WeakPolarHBondContact O-CB 3.5Å; I230-S234 PolarHBondContact O-N 3.07Å; I230-S234 PolarHBondContact O-OG 3.41Å; I230-L331 HydrophobicContact CD1-CD1 3.82Å; I230-L331 HydrophobicContact CD1-CD2 3.97Å; I230-L331 HydrophobicContact CG1-CD1 4.16Å; I230-L331 HydrophobicContact CG1-CD2 3.77Å; I230-L331 HydrophobicContact CG2-CD2 4.02Å; I230-F391 HydrophobicContact CG1-CE1 4.38Å; I230-F391 HydrophobicContact CG1-CZ 3.9Å
231C97.5Very high96.7Very high84 Ų8446.6 Ų46.657%0.56825%0.248SC*.Hα-helixtrans-62-44.4179.3-173.40000111.6P227 L228 S234 G235P227-C231 WeakPolarHBondContact O-CB 3.43Å; P227-C231 PolarHBondContact O-N 3.38Å; L228-C231 PolarHBondContact O-N 2.92Å; C231-S234 WeakPolarHBondContact CA-OG 3.33Å; C231-S234 PolarHBondContact O-OG 2.71Å; C231-S234 VanDerWaalsContact O-OG 3.06Å; C231-G235 PolarHBondContact O-N 3.34Å
232L97.9Very high96.7Very high36 Ų3649.1 Ų49.119%0.18827%0.266CS..Hα-helixtrans-62.9-52.4179.6-69.2165.7000111.8L228 A229 G235 V236 L386 L390L228-L232 HydrophobicContact CD1-CD1 3.9Å; L228-L232 HydrophobicContact CD1-CG 4.13Å; L228-L232 HydrophobicContact CG-CD1 3.86Å; L228-L232 WeakPolarHBondContact O-CB 3.42Å; L228-L232 WeakPolarHBondContact O-CD1 3.39Å; L228-L232 WeakPolarHBondContact O-CG 3.43Å; L228-L232 PolarHBondContact O-N 2.86Å; A229-L232 PolarHBondContact O-N 3.28Å; L232-G235 PolarHBondContact O-N 3.04Å; L232-V236 WeakPolarHBondContact O-CG2 3.33Å; L232-V236 PolarHBondContact O-N 3.4Å; L232-L386 HydrophobicContact CD1-CB 4.49Å; L232-L386 HydrophobicContact CD1-CD2 3.21Å; L232-L386 HydrophobicContact CD1-CG 4.42Å; L232-L390 HydrophobicContact CD1-CD1 3.97Å
233L97.7Very high96.5Very high0 Ų055.9 Ų55.90%030%0.295CS..Hα-helixtrans-72.8-31.9-178.5-66.8-166.3000113.4F36 A229 G235 V236 L237 L334 I338 Y384 F391F36-L233 HydrophobicContact CE1-CD1 3.78Å; F36-L233 HydrophobicContact CZ-CD1 3.44Å; F36-L233 VanDerWaalsContact CZ-CD1 3.44Å; A229-L233 PolarHBondContact O-N 2.99Å; A229-L233 VanDerWaalsContact O-N 3.11Å; L233-G235 VanDerWaalsContact C-N 3.34Å; L233-V236 PolarHBondContact O-N 3.4Å; L233-L237 WeakPolarHBondContact O-CB 3.04Å; L233-L237 PolarHBondContact O-N 2.89Å; L233-L334 HydrophobicContact CB-CD1 4.31Å; L233-L334 HydrophobicContact CB-CD2 3.46Å; L233-L334 VanDerWaalsContact CB-CD2 3.46Å; L233-L334 HydrophobicContact CD1-CD2 4.1Å; L233-L334 HydrophobicContact CG-CD2 4.45Å; L233-I338 HydrophobicContact CB-CD1 4.12Å; L233-I338 HydrophobicContact CD2-CD1 4.37Å; L233-Y384 HydrophobicContact CD2-CD2 4.07Å; L233-F391 HydrophobicContact CB-CE2 4.23Å; L233-F391 HydrophobicContact CD1-CD2 3.36Å; L233-F391 HydrophobicContact CD1-CE2 3.33Å; L233-F391 HydrophobicContact CG-CD2 4.06Å; L233-F391 HydrophobicContact CG-CE2 3.78Å
234S97.2Very high96.3Very high37 Ų3752.2 Ų52.226%0.25928%0.281SS..Hα-helixtrans-66.7-37.2171.559.30000111.8I230 C231 L237 I238I230-S234 WeakPolarHBondContact O-CB 3.5Å; I230-S234 PolarHBondContact O-N 3.07Å; I230-S234 PolarHBondContact O-OG 3.41Å; C231-S234 WeakPolarHBondContact CA-OG 3.33Å; C231-S234 PolarHBondContact O-OG 2.71Å; C231-S234 VanDerWaalsContact O-OG 3.06Å; S234-L237 WeakPolarHBondContact O-CB 3.46Å; S234-L237 PolarHBondContact O-N 3.48Å; S234-I238 WeakPolarHBondContact O-CD1 3.36Å; S234-I238 VanDerWaalsContact O-CG1 3.22Å; S234-I238 WeakPolarHBondContact O-CG1 3.21Å; S234-I238 PolarHBondContact O-N 3.37Å
235G97Very high95.9Very high29 Ų2946.4 Ų46.430%0.29925%0.251SS..Hα-helixtrans-60.7-44.3171.200000112.6C231 L232 L233 I238 T239C231-G235 PolarHBondContact O-N 3.34Å; L232-G235 PolarHBondContact O-N 3.04Å; L233-G235 VanDerWaalsContact C-N 3.34Å; G235-I238 PolarHBondContact O-N 3.17Å; G235-T239 WeakPolarHBondContact O-CB 3.46Å; G235-T239 VanDerWaalsContact O-CG2 3.31Å; G235-T239 WeakPolarHBondContact O-CG2 3.47Å; G235-T239 PolarHBondContact O-N 3.24Å; G235-T239 PolarHBondContact O-OG1 3.44Å
236V97.5Very high95.5Very high0 Ų049.2 Ų49.20%027%0.266CS..Hα-helixtrans-60.1-47.1172.71750000110.9L232 L233 I238 T239 I240 I338 L380 S383 Y384L232-V236 WeakPolarHBondContact O-CG2 3.33Å; L232-V236 PolarHBondContact O-N 3.4Å; L233-V236 PolarHBondContact O-N 3.4Å; V236-I238 PolarHBondContact O-N 2.79Å; V236-T239 WeakPolarHBondContact CA-OG1 3.39Å; V236-T239 PolarHBondContact O-N 3.31Å; V236-T239 PolarHBondContact O-OG1 3.07Å; V236-I240 HydrophobicContact CG1-CD1 3.49Å; V236-I240 VanDerWaalsContact CG1-CD1 3.49Å; V236-I240 HydrophobicContact CG1-CG1 4.1Å; V236-I240 WeakPolarHBondContact O-CB 3.37Å; V236-I240 VanDerWaalsContact O-CG1 3.26Å; V236-I240 WeakPolarHBondContact O-CG1 3.45Å; V236-I240 PolarHBondContact O-N 3.22Å; V236-I338 HydrophobicContact CG1-CD1 4.48Å; V236-L380 HydrophobicContact CB-CD1 4.31Å; V236-L380 HydrophobicContact CG1-CD1 4.42Å; V236-L380 HydrophobicContact CG2-CD1 3.97Å; V236-S383 WeakPolarHBondContact CG2-OG 3.48Å; V236-Y384 HydrophobicContact CG1-CD2 4.17Å
237L96.9Very high95Very high28 Ų2852 Ų5215%0.14729%0.286CS..Hα-helixtrans-57.8-47.9178.918069.3000111.9L233 S234 R241 L337 I338 Y341L233-L237 WeakPolarHBondContact O-CB 3.04Å; L233-L237 PolarHBondContact O-N 2.89Å; S234-L237 WeakPolarHBondContact O-CB 3.46Å; S234-L237 PolarHBondContact O-N 3.48Å; L237-R241 WeakPolarHBondContact O-CB 3.27Å; L237-R241 PolarHBondContact O-N 3.44Å; L237-L337 HydrophobicContact CD1-CB 3.58Å; L237-L337 HydrophobicContact CD2-CB 4.33Å; L237-L337 HydrophobicContact CD2-CD1 4.37Å; L237-I338 HydrophobicContact CB-CD1 4.46Å; L237-I338 HydrophobicContact CB-CG1 3.91Å; L237-I338 HydrophobicContact CD1-CB 4.4Å; L237-I338 HydrophobicContact CD1-CG1 3.66Å; L237-I338 HydrophobicContact CG-CG1 4.38Å; L237-Y341 HydrophobicContact CD1-CD2 3.55Å; L237-Y341 HydrophobicContact CD1-CE2 3.68Å; L237-Y341 HydrophobicContact CG-CE2 4.44Å
238I97.1Very high94.4Very high103 Ų10351.8 Ų51.853%0.52828%0.283SS..Hα-helixtrans-63.7-45.7-179.2-68.1164.1000110.5S234 G235 V236 R241 V242S234-I238 WeakPolarHBondContact O-CD1 3.36Å; S234-I238 VanDerWaalsContact O-CG1 3.22Å; S234-I238 WeakPolarHBondContact O-CG1 3.21Å; S234-I238 PolarHBondContact O-N 3.37Å; G235-I238 PolarHBondContact O-N 3.17Å; V236-I238 PolarHBondContact O-N 2.79Å; I238-R241 PolarHBondContact O-N 3.12Å; I238-V242 HydrophobicContact CG2-CG2 4.48Å; I238-V242 WeakPolarHBondContact O-CB 2.92Å; I238-V242 VanDerWaalsContact O-CG2 3.3Å; I238-V242 WeakPolarHBondContact O-CG2 3.44Å; I238-V242 PolarHBondContact O-N 3.32Å
239T96Very high93.9Very high43 Ų4354 Ų5426%0.26430%0.296SS..Hα-helixtrans-67.7-43.5-178.450.90000112.5G235 V236 R241 V242 K243 L380G235-T239 WeakPolarHBondContact O-CB 3.46Å; G235-T239 VanDerWaalsContact O-CG2 3.31Å; G235-T239 WeakPolarHBondContact O-CG2 3.47Å; G235-T239 PolarHBondContact O-N 3.24Å; G235-T239 PolarHBondContact O-OG1 3.44Å; V236-T239 WeakPolarHBondContact CA-OG1 3.39Å; V236-T239 PolarHBondContact O-N 3.31Å; V236-T239 PolarHBondContact O-OG1 3.07Å; T239-R241 VanDerWaalsContact C-N 3.35Å; T239-V242 PolarHBondContact O-N 3.09Å; T239-K243 WeakPolarHBondContact O-CB 3.37Å; T239-K243 PolarHBondContact O-N 3.46Å; T239-L380 HydrophobicContact CG2-CD1 4.41Å; T239-L380 WeakPolarHBondContact OG1-CD1 3.48Å
240I95.3Very high93.3Very high0 Ų055.9 Ų55.90%030%0.304CS..Hα-helixtrans-62.6-44.5174.9-64.7177.3000110V236 V242 Y244 A245 I338 M367V236-I240 HydrophobicContact CG1-CD1 3.49Å; V236-I240 VanDerWaalsContact CG1-CD1 3.49Å; V236-I240 HydrophobicContact CG1-CG1 4.1Å; V236-I240 WeakPolarHBondContact O-CB 3.37Å; V236-I240 VanDerWaalsContact O-CG1 3.26Å; V236-I240 WeakPolarHBondContact O-CG1 3.45Å; V236-I240 PolarHBondContact O-N 3.22Å; I240-V242 PolarHBondContact O-N 3.19Å; I240-Y244 HydrophobicContact CB-CD2 4.18Å; I240-Y244 HydrophobicContact CG1-CD2 3.96Å; I240-Y244 HydrophobicContact CG1-CE2 4.36Å; I240-Y244 HydrophobicContact CG2-CD2 4.25Å; I240-Y244 WeakPolarHBondContact O-CA 3.42Å; I240-Y244 WeakPolarHBondContact O-CB 3.29Å; I240-Y244 PolarHBondContact O-N 2.87Å; I240-A245 PolarHBondContact O-N 2.73Å; I240-I338 HydrophobicContact CD1-CG2 4.46Å; I240-M367 HydrophobicContact CD1-CE 4.06Å; I240-M367 HydrophobicContact CD1-SD 3.62Å
241R94.4Very high92.9Very high141 Ų14155 Ų5553%0.53230%0.3SS..Hα-helixtrans-58.8-47.3178.1-178.8-179.8-179.6-102.6-1.5112.4L237 I238 T239 A245 Y341L237-R241 WeakPolarHBondContact O-CB 3.27Å; L237-R241 PolarHBondContact O-N 3.44Å; I238-R241 PolarHBondContact O-N 3.12Å; T239-R241 VanDerWaalsContact C-N 3.35Å; R241-A245 WeakPolarHBondContact O-CB 3.42Å; R241-Y341 HydrophobicContact CB-CD2 4.03Å; R241-Y341 HydrophobicContact CB-CE1 4.48Å; R241-Y341 HydrophobicContact CB-CE2 3.94Å; R241-Y341 HydrophobicContact CB-CG 4.38Å; R241-Y341 WeakPolarHBondContact CD-OH 3.39Å; R241-Y341 HydrophobicContact CG-CD1 4.49Å; R241-Y341 HydrophobicContact CG-CD2 4.48Å; R241-Y341 HydrophobicContact CG-CE1 3.99Å; R241-Y341 HydrophobicContact CG-CE2 4.01Å; R241-Y341 PolarHBondContact NE-OH 2.96Å
242V94.4Very high92.4Very high109 Ų10954.5 Ų54.566%0.66130%0.297SS*.Hα-helixtrans-76.2-40.4-175.1173.10000111.9I238 T239 I240I238-V242 HydrophobicContact CG2-CG2 4.48Å; I238-V242 WeakPolarHBondContact O-CB 2.92Å; I238-V242 VanDerWaalsContact O-CG2 3.3Å; I238-V242 WeakPolarHBondContact O-CG2 3.44Å; I238-V242 PolarHBondContact O-N 3.32Å; T239-V242 PolarHBondContact O-N 3.09Å; I240-V242 PolarHBondContact O-N 3.19Å
243K93Very high91.7Very high141 Ų14156.5 Ų56.561%0.61331%0.308SS*.Hα-helixtrans-95.7-35.8-171.4-64.1-173.5174.9-174.20114.4T239T239-K243 WeakPolarHBondContact O-CB 3.37Å; T239-K243 PolarHBondContact O-N 3.46Å
244Y91Very high91.2Very high17 Ų1756.5 Ų56.57%0.06731%0.308CS..THydrogen-bonded Turntrans-115.5-33.6-165.2-51.3-37.7000113.8I240 N246 S247 S345 I370 F374 S376 L380I240-Y244 HydrophobicContact CB-CD2 4.18Å; I240-Y244 HydrophobicContact CG1-CD2 3.96Å; I240-Y244 HydrophobicContact CG1-CE2 4.36Å; I240-Y244 HydrophobicContact CG2-CD2 4.25Å; I240-Y244 WeakPolarHBondContact O-CA 3.42Å; I240-Y244 WeakPolarHBondContact O-CB 3.29Å; I240-Y244 PolarHBondContact O-N 2.87Å; Y244-N246 VanDerWaalsContact C-N 3.28Å; Y244-N246 PolarHBondContact O-N 3.42Å; Y244-N246 VanDerWaalsContact O-N 3.14Å; Y244-S247 VanDerWaalsContact O-CB 3.29Å; Y244-S247 WeakPolarHBondContact O-CB 3.16Å; Y244-S247 PolarHBondContact O-N 2.73Å; Y244-S247 PolarHBondContact O-OG 2.89Å; Y244-S345 VanDerWaalsContact O-CB 3.22Å; Y244-S345 WeakPolarHBondContact O-CB 3.23Å; Y244-I370 HydrophobicContact CD2-CG2 4.14Å; Y244-F374 HydrophobicContact CD1-CB 3.97Å; Y244-F374 AromaticContact CD1-CD1 3.82Å; Y244-F374 HydrophobicContact CD1-CD1 3.82Å; Y244-F374 AromaticContact CD1-CD2 3.73Å; Y244-F374 HydrophobicContact CD1-CD2 3.73Å; Y244-F374 HydrophobicContact CD1-CE1 4.25Å; Y244-F374 HydrophobicContact CD1-CE2 4.17Å; Y244-F374 AromaticContact CD1-CG 3.55Å; Y244-F374 HydrophobicContact CD1-CG 3.55Å; Y244-F374 HydrophobicContact CD1-CZ 4.42Å; Y244-F374 HydrophobicContact CD2-CD2 4.31Å; Y244-F374 HydrophobicContact CE1-CB 3.62Å; Y244-F374 HydrophobicContact CE1-CD1 4.19Å; Y244-F374 HydrophobicContact CE1-CD2 4.24Å; Y244-F374 AromaticContact CE1-CG 3.76Å; Y244-F374 HydrophobicContact CE1-CG 3.76Å; Y244-F374 AromaticContact CG-CD2 3.81Å; Y244-F374 HydrophobicContact CG-CD2 3.81Å; Y244-F374 HydrophobicContact CG-CE2 4.07Å; Y244-F374 HydrophobicContact CG-CG 4.12Å; Y244-S376 PolarHBondContact OH-OG 3.42Å; Y244-L380 HydrophobicContact CE2-CD2 3.8Å
245A88.3Confident90.7Very high0 Ų058.2 Ų58.20%031%0.31CS..THydrogen-bonded Turntrans-58.8-33.2-167.900000114.8I240 R241 L251 Y341I240-A245 PolarHBondContact O-N 2.73Å; R241-A245 WeakPolarHBondContact O-CB 3.42Å; A245-L251 HydrophobicContact CB-CD1 4.29Å; A245-L251 HydrophobicContact CB-CD2 4.32Å; A245-Y341 HydrophobicContact CB-CD1 3.63Å; A245-Y341 HydrophobicContact CB-CE1 4.43Å; A245-Y341 HydrophobicContact CB-CG 4.13Å
246N88.3Confident90Very high92 Ų9259 Ų5949%0.49231%0.309SS..THydrogen-bonded Turntrans-102.218.2-179.7-158.447.4000114Y244 T248 N249Y244-N246 VanDerWaalsContact C-N 3.28Å; Y244-N246 PolarHBondContact O-N 3.42Å; Y244-N246 VanDerWaalsContact O-N 3.14Å; N246-T248 VanDerWaalsContact C-N 3.31Å; N246-T248 PolarHBondContact O-N 2.75Å; N246-N249 PolarHBondContact ND2-OD1 3.39Å; N246-N249 PolarHBondContact O-N 3Å; N246-N249 PolarHBondContact O-OD1 3.39Å; N246-N249 PolarHBondContact OD1-OD1 3.48Å
247S86.1Confident89.2Confident58 Ų5861.6 Ų61.641%0.40632%0.32SS..THydrogen-bonded Turntrans-64.3-32.1-178.254.10000114Y244 S345 F374Y244-S247 VanDerWaalsContact O-CB 3.29Å; Y244-S247 WeakPolarHBondContact O-CB 3.16Å; Y244-S247 PolarHBondContact O-N 2.73Å; Y244-S247 PolarHBondContact O-OG 2.89Å; S247-S345 PolarHBondContact OG-O 2.84Å; S247-S345 VanDerWaalsContact OG-O 3.09Å; S247-F374 WeakPolarHBondContact OG-CZ 3.45Å
248T85.3Confident88.5Confident49 Ų4960.2 Ų60.230%0.30131%0.313SS..THydrogen-bonded Turntrans-98.4-3.2178.656.90000113.1N246 Q250 A344 S345N246-T248 VanDerWaalsContact C-N 3.31Å; N246-T248 PolarHBondContact O-N 2.75Å; T248-Q250 PolarHBondContact O-N 3.18Å; T248-Q250 VanDerWaalsContact O-N 3.11Å; T248-Q250 PolarHBondContact OG1-N 3.38Å; T248-A344 PolarHBondContact OG1-O 2.86Å; T248-S345 WeakPolarHBondContact CG2-O 3.37Å
249N86.4Confident87.9Confident120 Ų12058 Ų5864%0.64230%0.298SS*.SBendtrans55.314-168.1-71.1-32.2000115.5N246N246-N249 PolarHBondContact ND2-OD1 3.39Å; N246-N249 PolarHBondContact O-N 3Å; N246-N249 PolarHBondContact O-OD1 3.39Å; N246-N249 PolarHBondContact OD1-OD1 3.48Å
250Q85.3Confident87Confident40 Ų4064.9 Ų64.919%0.18732%0.319CS..  trans-90.92.8179.6-64.3177.1-0.600113.5T248 S252 D253 Y254 Y347 D348T248-Q250 PolarHBondContact O-N 3.18Å; T248-Q250 VanDerWaalsContact O-N 3.11Å; T248-Q250 PolarHBondContact OG1-N 3.38Å; Q250-S252 PolarHBondContact O-N 3.35Å; Q250-S252 VanDerWaalsContact O-N 3.11Å; Q250-D253 WeakPolarHBondContact O-CB 3.35Å; Q250-D253 PolarHBondContact O-N 3.17Å; Q250-Y254 HydrophobicContact CB-CD2 4.23Å; Q250-Y254 HydrophobicContact CB-CE2 4.23Å; Q250-Y254 WeakPolarHBondContact O-CD2 3.38Å; Q250-Y254 PolarHBondContact O-N 2.69Å; Q250-Y347 PolarHBondContact OE1-O 3.09Å; Q250-D348 PolarHBondContact NE2-OD1 3.45Å
251L87.4Confident85.8Confident27 Ų2768.5 Ų68.514%0.14134%0.338CS..Hα-helixtrans-55.6-36.3-173.3-179.262.5000113A245 Y254 Y255 Y341 A344A245-L251 HydrophobicContact CB-CD1 4.29Å; A245-L251 HydrophobicContact CB-CD2 4.32Å; L251-Y254 PolarHBondContact O-N 3.08Å; L251-Y255 HydrophobicContact CD1-CD2 4.09Å; L251-Y255 HydrophobicContact CD1-CE2 3.67Å; L251-Y255 HydrophobicContact CD2-CE2 3.76Å; L251-Y255 HydrophobicContact CG-CD2 3.81Å; L251-Y255 HydrophobicContact CG-CE2 3.42Å; L251-Y255 VanDerWaalsContact CG-CE2 3.42Å; L251-Y255 WeakPolarHBondContact O-CD2 3.41Å; L251-Y255 PolarHBondContact O-N 3.46Å; L251-Y341 HydrophobicContact CD1-CD1 3.81Å; L251-Y341 HydrophobicContact CD1-CE1 4.04Å; L251-A344 HydrophobicContact CD1-CB 3.97Å
252S87.1Confident84.5Confident74 Ų7466.8 Ų66.852%0.51734%0.335SS..Hα-helixtrans-64.5-41178.268.10000112.7Q250 Y254 Y255 T256Q250-S252 PolarHBondContact O-N 3.35Å; Q250-S252 VanDerWaalsContact O-N 3.11Å; S252-Y254 VanDerWaalsContact C-N 3.34Å; S252-Y254 PolarHBondContact O-N 3.02Å; S252-Y255 PolarHBondContact O-N 3.36Å; S252-T256 WeakPolarHBondContact O-CG2 3.38Å; S252-T256 PolarHBondContact O-N 3.44Å
253D84.7Confident82.8Confident79 Ų7969.7 Ų69.742%0.42234%0.339SS..Hα-helixtrans-63.5-41.9177-62.1-29000110.8Q250 T256 K257Q250-D253 WeakPolarHBondContact O-CB 3.35Å; Q250-D253 PolarHBondContact O-N 3.17Å; D253-T256 PolarHBondContact O-N 2.64Å; D253-T256 PolarHBondContact O-OG1 2.93Å; D253-K257 PolarHBondContact O-N 3.07Å
254Y86Confident80.8Confident0 Ų063.9 Ų63.90%032%0.315CS..Hα-helixtrans-64.4-42.9176.4-84.6-90.4000113Q250 L251 S252 T256 K257 F258 T343 A344 Y347 P349 V352Q250-Y254 HydrophobicContact CB-CD2 4.23Å; Q250-Y254 HydrophobicContact CB-CE2 4.23Å; Q250-Y254 WeakPolarHBondContact O-CD2 3.38Å; Q250-Y254 PolarHBondContact O-N 2.69Å; L251-Y254 PolarHBondContact O-N 3.08Å; S252-Y254 VanDerWaalsContact C-N 3.34Å; S252-Y254 PolarHBondContact O-N 3.02Å; Y254-T256 PolarHBondContact O-N 2.92Å; Y254-K257 PolarHBondContact O-N 3.28Å; Y254-F258 HydrophobicContact CD1-CD2 4.33Å; Y254-F258 AromaticContact CD1-CE2 3.94Å; Y254-F258 HydrophobicContact CD1-CE2 3.94Å; Y254-F258 WeakPolarHBondContact O-CD2 3.24Å; Y254-F258 PolarHBondContact O-N 2.87Å; Y254-T343 PolarHBondContact OH-O 3.04Å; Y254-A344 HydrophobicContact CD1-CB 4.31Å; Y254-A344 HydrophobicContact CD2-CB 3.71Å; Y254-A344 HydrophobicContact CE2-CB 4.18Å; Y254-A344 HydrophobicContact CG-CB 3.75Å; Y254-Y347 PolarHBondContact OH-O 3.46Å; Y254-P349 HydrophobicContact CE2-CB 4.02Å; Y254-V352 HydrophobicContact CE1-CG1 4.25Å; Y254-V352 HydrophobicContact CE1-CG2 3.85Å; Y254-V352 WeakPolarHBondContact OH-CG2 3.32Å
255Y87Confident78.9Confident72 Ų7267.2 Ų67.228%0.28234%0.341SS..Hα-helixtrans-59.4-39.2173.6-79.4-60.7000112L251 S252 Y259 L340 Y341L251-Y255 HydrophobicContact CD1-CD2 4.09Å; L251-Y255 HydrophobicContact CD1-CE2 3.67Å; L251-Y255 HydrophobicContact CD2-CE2 3.76Å; L251-Y255 HydrophobicContact CG-CD2 3.81Å; L251-Y255 HydrophobicContact CG-CE2 3.42Å; L251-Y255 VanDerWaalsContact CG-CE2 3.42Å; L251-Y255 WeakPolarHBondContact O-CD2 3.41Å; L251-Y255 PolarHBondContact O-N 3.46Å; S252-Y255 PolarHBondContact O-N 3.36Å; Y255-Y259 HydrophobicContact CD1-CD2 4.26Å; Y255-Y259 HydrophobicContact CD1-CE2 4.44Å; Y255-Y259 PolarHBondContact O-N 3.35Å; Y255-L340 HydrophobicContact CD1-CD1 4.18Å; Y255-L340 HydrophobicContact CD1-CD2 4.04Å; Y255-L340 HydrophobicContact CE1-CD2 3.68Å; Y255-Y341 HydrophobicContact CE1-CE1 4.4Å; Y255-Y341 AromaticContact CZ-CE1 3.83Å; Y255-Y341 WeakPolarHBondContact OH-CE1 3.49Å; Y255-Y341 PolarHBondContact OH-OH 2.63Å
256T83Confident77.3Confident46 Ų4669.3 Ų69.328%0.28235%0.352SS..Iπ-helixtrans-66.2-41.6177.266.60000111.6S252 D253 Y254 R260 L261S252-T256 WeakPolarHBondContact O-CG2 3.38Å; S252-T256 PolarHBondContact O-N 3.44Å; D253-T256 PolarHBondContact O-N 2.64Å; D253-T256 PolarHBondContact O-OG1 2.93Å; Y254-T256 PolarHBondContact O-N 2.92Å; T256-R260 PolarHBondContact O-N 2.98Å; T256-L261 PolarHBondContact O-N 3.47Å
257K80.5Confident75.5Confident54 Ų5469.5 Ų69.524%0.23536%0.358CS..Iπ-helixtrans-67.9-40178.3-75.1-176.7171-172.60113.6Y44 S47 D253 Y254 L261 P349Y44-K257 HydrophobicContact CE2-CB 4.49Å; Y44-K257 HydrophobicContact CE2-CD 4.3Å; S47-K257 WeakPolarHBondContact CA-O 3.45Å; S47-K257 WeakPolarHBondContact CB-O 3.32Å; D253-K257 PolarHBondContact O-N 3.07Å; Y254-K257 PolarHBondContact O-N 3.28Å; K257-L261 HydrophobicContact CG-CD1 4.01Å; K257-P349 HydrophobicContact CD-CB 3.94Å; K257-P349 VanDerWaalsContact NZ-CB 3.34Å; K257-P349 PolarHBondContact NZ-O 3.17Å
258F82.6Confident73.7Confident0 Ų071.2 Ų71.20%036%0.363CS..Iπ-helixtrans-78.9-31.8-179.9-87.5-105.8000113.7Q43 Y44 S47 Y254 L340 L356Q43-F258 HydrophobicContact CB-CD1 3.75Å; Q43-F258 HydrophobicContact CB-CE1 4.24Å; Y44-F258 HydrophobicContact CD2-CD2 4.03Å; Y44-F258 AromaticContact CD2-CE2 3.54Å; Y44-F258 HydrophobicContact CD2-CE2 3.54Å; Y44-F258 HydrophobicContact CD2-CZ 4.06Å; Y44-F258 HydrophobicContact CE2-CE2 4.39Å; Y44-F258 HydrophobicContact CG-CE2 4.38Å; S47-F258 CarbonylContact C-O 3.51Å; S47-F258 WeakPolarHBondContact CA-O 3.15Å; Y254-F258 HydrophobicContact CD1-CD2 4.33Å; Y254-F258 AromaticContact CD1-CE2 3.94Å; Y254-F258 HydrophobicContact CD1-CE2 3.94Å; Y254-F258 WeakPolarHBondContact O-CD2 3.24Å; Y254-F258 PolarHBondContact O-N 2.87Å; F258-L340 HydrophobicContact CB-CD1 3.5Å; F258-L340 VanDerWaalsContact CB-CD1 3.5Å; F258-L340 HydrophobicContact CD1-CB 4.39Å; F258-L340 HydrophobicContact CD1-CD1 3.97Å; F258-L340 HydrophobicContact CD2-CD1 3.66Å; F258-L340 HydrophobicContact CD2-CG 4.47Å; F258-L340 HydrophobicContact CE1-CB 4.33Å; F258-L340 HydrophobicContact CE2-CD1 4.31Å; F258-L340 HydrophobicContact CG-CD1 3.44Å; F258-L340 VanDerWaalsContact CG-CD1 3.44Å; F258-L340 HydrophobicContact CG-CG 4.5Å; F258-L340 HydrophobicContact CZ-CB 4.41Å; F258-L356 HydrophobicContact CZ-CD2 4.42Å
259Y83.9Confident72.1Confident56 Ų5670.3 Ų70.322%0.2236%0.356CS..Iπ-helixtrans-128-28.7-168.9-64.3-66.4000116.3C51 Y255 L337 L340C51-Y259 HydrophobicContact CB-CD1 4.27Å; Y255-Y259 HydrophobicContact CD1-CD2 4.26Å; Y255-Y259 HydrophobicContact CD1-CE2 4.44Å; Y255-Y259 PolarHBondContact O-N 3.35Å; Y259-L337 HydrophobicContact CE2-CD2 4.48Å; Y259-L337 WeakPolarHBondContact OH-CD2 3.2Å; Y259-L340 HydrophobicContact CD2-CD1 4.39Å; Y259-L340 HydrophobicContact CE2-CD1 3.94Å
260R76.5Confident70.3Confident188 Ų18870.5 Ų70.571%0.70936%0.364SS*.Iπ-helixtrans-100.7-33.2-169-67.3-173.3170.8-177.2-1.5115.1T256 F262T256-R260 PolarHBondContact O-N 2.98Å; R260-F262 PolarHBondContact O-N 2.66Å
261L70.4Confident68.7Low75 Ų7574 Ų7439%0.39338%0.384SS..  trans-66.1129.5-179.1-69.7171.1000109S47 G48 T256 K257S47-L261 WeakPolarHBondContact CB-O 2.97Å; S47-L261 PolarHBondContact OG-O 3.23Å; G48-L261 WeakPolarHBondContact CA-O 3.19Å; G48-L261 PolarHBondContact N-O 2.94Å; T256-L261 PolarHBondContact O-N 3.47Å; K257-L261 HydrophobicContact CG-CD1 4.01Å
262F67.4Low66.9Low105 Ų10575.1 Ų75.146%0.46140%0.402SS..  trans-103.6-17.3165.6-76.8-84.3000111.2W49 R260 T264W49-F262 HydrophobicContact CD2-CD1 4.47Å; W49-F262 PolarHBondContact NE1-O 3.48Å; R260-F262 PolarHBondContact O-N 2.66Å; F262-T264 PolarHBondContact O-N 3.03Å
263F57.9Low65.3Low170 Ų17073.1 Ų73.175%0.74639%0.387SS*.  trans-86.297.9176.5-62-74.4000108.8S265F263-S265 PolarHBondContact O-N 3.12Å
264T52.9Low63.8Low19 Ų1969.7 Ų69.712%0.11737%0.368CS..  trans-7454.317363.10000110.5F262 L281F262-T264 PolarHBondContact O-N 3.03Å; T264-L281 WeakPolarHBondContact OG1-CG 3.48Å; T264-L281 PolarHBondContact OG1-O 3.35Å
265S50.8Low62.2Low87 Ų8771.9 Ų71.961%0.60839%0.386SS*.  trans-98.797.1152.764.30000105.4F263 P267F263-S265 PolarHBondContact O-N 3.12Å; S265-P267 VanDerWaalsContact O-CD 3.24Å; S265-P267 WeakPolarHBondContact O-CD 3.41Å
266I53.4Low60.8Low45 Ų4570 Ų7023%0.23138%0.379CS..  trans-53116.2147.1-56.6167.9000102.7L45 N268 V278L45-I266 HydrophobicContact CD2-CD1 3.59Å; I266-N268 PolarHBondContact O-N 3.35Å; I266-V278 HydrophobicContact CD1-CG2 3.88Å
267P50.9Low59.6Low95 Ų9573.6 Ų73.662%0.61739%0.393SS*.  trans-53.7120.9177.320.7-29.7000105.9S265 N269S265-P267 VanDerWaalsContact O-CD 3.24Å; S265-P267 WeakPolarHBondContact O-CD 3.41Å; P267-N269 VanDerWaalsContact C-N 3.32Å; P267-N269 PolarHBondContact O-N 3.03Å
268N48.9Very low58.7Low94 Ų9472 Ų7250%0.50339%0.387SS..  trans-53.7107.5170.2-87.1-17000105.1I266 P270I266-N268 PolarHBondContact O-N 3.35Å; N268-P270 VanDerWaalsContact O-CD 3.25Å; N268-P270 WeakPolarHBondContact O-CD 3.02Å
269N50.7Low57.5Low31 Ų3177.3 Ų77.317%0.16641%0.412CS..  trans-67.8121.5-179.7-167.44.7000107P267 D271 G272 D274P267-N269 VanDerWaalsContact C-N 3.32Å; P267-N269 PolarHBondContact O-N 3.03Å; N269-D271 PolarHBondContact O-N 3.16Å; N269-D271 VanDerWaalsContact O-N 3.14Å; N269-G272 PolarHBondContact O-N 3.46Å; N269-G272 VanDerWaalsContact O-N 3.13Å; N269-D274 HydrophobicContact CB-CB 4.38Å
270P49.9Very low56.6Low123 Ų12377 Ų7780%0.79942%0.417SS*.THydrogen-bonded Turntrans-58.8-20.9177.221.7-34.1000113.3N268 G272N268-P270 VanDerWaalsContact O-CD 3.25Å; N268-P270 WeakPolarHBondContact O-CD 3.02Å; P270-G272 PolarHBondContact O-N 3.23Å
271D51.3Low56.1Low114 Ų11473 Ų7361%0.6141%0.409SS*.THydrogen-bonded Turntrans-680.1176-60.7-24.1000113.7N269 V273N269-D271 PolarHBondContact O-N 3.16Å; N269-D271 VanDerWaalsContact O-N 3.14Å; D271-V273 HydrophobicContact CB-CG2 4.48Å; D271-V273 PolarHBondContact O-N 3.17Å
272G49.5Very low56.3Low51 Ų5172 Ų7253%0.52641%0.406SS..SBendtrans73.3-0.8170.900000115.3N269 P270N269-G272 PolarHBondContact O-N 3.46Å; N269-G272 VanDerWaalsContact O-N 3.13Å; P270-G272 PolarHBondContact O-N 3.23Å
273V52.6Low56.9Low32 Ų3268.2 Ų68.219%0.19439%0.388CS..SBendtrans-73.6-30.1-179.7-172.50000111.6D271 Y351D271-V273 HydrophobicContact CB-CG2 4.48Å; D271-V273 PolarHBondContact O-N 3.17Å; V273-Y351 HydrophobicContact CG1-CE1 4.36Å
274D53.2Low58Low7 Ų760.1 Ų60.14%0.03735%0.353CS..  trans-129.937.1-163.6-103.324.8000115.7N269 Y276 Q350 R353N269-D274 HydrophobicContact CB-CB 4.38Å; D274-Y276 PolarHBondContact O-N 3.38Å; D274-Q350 VanDerWaalsContact OD2-O 3.11Å; D274-R353 PolarHBondContact O-NH1 2.77Å; D274-R353 IonicContact OD1-CZ 3.64Å; D274-R353 VanDerWaalsContact OD1-CZ 3.27Å; D274-R353 IonicContact OD1-NE 3.47Å; D274-R353 IonicContact OD1-NH1 3.51Å; D274-R353 IonicContact OD1-NH2 3.21Å; D274-R353 PolarHBondContact OD1-NH2 3.03Å; D274-R353 IonicContact OD2-CZ 2.73Å; D274-R353 IonicContact OD2-NE 2.71Å; D274-R353 PolarHBondContact OD2-NE 2.99Å; D274-R353 IonicContact OD2-NH1 3.27Å; D274-R353 PolarHBondContact OD2-NH1 3.35Å; D274-R353 IonicContact OD2-NH2 3.72Å
275A52.3Low59.7Low46 Ų4661 Ų6138%0.3836%0.355SS..  trans-78.241.4-17800000114.8Q277 Q526A275-Q277 PolarHBondContact O-N 3.03Å; A275-Q526 VanDerWaalsContact N-OE1 3.14Å
276Y58.8Low61.5Low32 Ų3258.1 Ų58.113%0.12533%0.333CS..  trans-80.4106.6172-172.2-96.7000109.8D274 V278D274-Y276 PolarHBondContact O-N 3.38Å; Y276-V278 HydrophobicContact CD1-CG2 3.77Å; Y276-V278 HydrophobicContact CE1-CB 4.48Å; Y276-V278 HydrophobicContact CE1-CG2 3.93Å; Y276-V278 PolarHBondContact O-N 3.18Å
277Q58.1Low63.1Low122 Ų12256 Ų5657%0.5732%0.322SS*.  trans-77.1105.9171.1-65.8-173.1-1.900109.2A275 Q279A275-Q277 PolarHBondContact O-N 3.03Å; Q277-Q279 HydrophobicContact CB-CG 4.34Å; Q277-Q279 PolarHBondContact O-N 2.9Å; Q277-Q279 VanDerWaalsContact OE1-NE2 3.12Å
278V59.8Low65Low20 Ų2051.5 Ų51.512%0.12129%0.293CS..  trans-66.9102.9171-176.30000108I266 Y276 W283I266-V278 HydrophobicContact CD1-CG2 3.88Å; Y276-V278 HydrophobicContact CD1-CG2 3.77Å; Y276-V278 HydrophobicContact CE1-CB 4.48Å; Y276-V278 HydrophobicContact CE1-CG2 3.93Å; Y276-V278 PolarHBondContact O-N 3.18Å; V278-W283 HydrophobicContact CG1-CB 3.53Å; V278-W283 HydrophobicContact CG1-CD2 4.25Å; V278-W283 HydrophobicContact CG1-CE3 4.3Å; V278-W283 HydrophobicContact CG1-CG 3.96Å
279Q58.4Low67.1Low112 Ų11247.5 Ų47.552%0.52327%0.271SS..SBendtrans-122.5127174.7-65.3-172.13.800109.6Q277 Q520Q277-Q279 HydrophobicContact CB-CG 4.34Å; Q277-Q279 PolarHBondContact O-N 2.9Å; Q277-Q279 VanDerWaalsContact OE1-NE2 3.12Å; Q279-Q520 PolarHBondContact O-NE2 2.76Å
280P65.2Low69Low49 Ų4946 Ų4632%0.31826%0.264SS..SBendcis-79.4172.3-0.733.6-33.4000113.3V282 W283 L286 W513P280-V282 PolarHBondContact O-N 2.79Å; P280-W283 WeakPolarHBondContact O-CB 3.36Å; P280-W283 PolarHBondContact O-N 3.04Å; P280-L286 HydrophobicContact CG-CD1 4.16Å; P280-W513 HydrophobicContact CG-CZ2 4.05Å
281L65.3Low70.9Confident104 Ų10440.9 Ų40.955%0.54523%0.229SC..THydrogen-bonded Turntrans-57.1-21.1176.1-147.7135.2000113.2T264T264-L281 WeakPolarHBondContact OG1-CG 3.48Å; T264-L281 PolarHBondContact OG1-O 3.35Å
282V75.7Confident72.9Confident54 Ų5435.4 Ų35.433%0.32720%0.2SC..THydrogen-bonded Turntrans-98.211.1179.5-168.20000111.7P280 G284 F285 L286P280-V282 PolarHBondContact O-N 2.79Å; V282-G284 VanDerWaalsContact C-N 3.28Å; V282-G284 PolarHBondContact O-N 3.03Å; V282-F285 HydrophobicContact CG1-CB 3.55Å; V282-F285 HydrophobicContact CG1-CD1 4.19Å; V282-F285 HydrophobicContact CG1-CG 4.04Å; V282-F285 WeakPolarHBondContact O-CB 3.2Å; V282-F285 PolarHBondContact O-N 3.15Å; V282-L286 HydrophobicContact CG1-CG 4.28Å; V282-L286 WeakPolarHBondContact O-CG 3.19Å; V282-L286 PolarHBondContact O-N 2.72Å; V282-L286 VanDerWaalsContact O-N 3.08Å
283W79.6Confident74.9Confident25 Ų2533 Ų3310%0.09518%0.175CC..Hα-helixtrans-51.3-47.5-178.4-179.894.2000111.8L45 V278 P280 F285 L286 S287 W513L45-W283 HydrophobicContact CB-CE3 4.15Å; L45-W283 HydrophobicContact CB-CZ3 3.61Å; L45-W283 HydrophobicContact CD1-CE3 4.32Å; L45-W283 HydrophobicContact CD1-CH2 3.44Å; L45-W283 VanDerWaalsContact CD1-CH2 3.44Å; L45-W283 HydrophobicContact CD1-CZ2 4.49Å; L45-W283 HydrophobicContact CD1-CZ3 3.33Å; L45-W283 HydrophobicContact CG-CZ3 4.11Å; V278-W283 HydrophobicContact CG1-CB 3.53Å; V278-W283 HydrophobicContact CG1-CD2 4.25Å; V278-W283 HydrophobicContact CG1-CE3 4.3Å; V278-W283 HydrophobicContact CG1-CG 3.96Å; P280-W283 WeakPolarHBondContact O-CB 3.36Å; P280-W283 PolarHBondContact O-N 3.04Å; W283-F285 VanDerWaalsContact C-N 3.3Å; W283-F285 PolarHBondContact O-N 3.5Å; W283-L286 PolarHBondContact O-N 2.66Å; W283-L286 VanDerWaalsContact O-N 3.15Å; W283-S287 WeakPolarHBondContact O-CB 3.43Å; W283-S287 PolarHBondContact O-N 3.44Å; W283-S287 PolarHBondContact O-OG 3.49Å; W283-W513 AromaticContact CD1-CH2 3.62Å; W283-W513 AromaticContact CD1-CZ2 3.73Å; W283-W513 HydrophobicContact CG-CH2 4.2Å; W283-W513 HydrophobicContact CG-CZ2 4.43Å
284G80.9Confident76.7Confident1 Ų132 Ų321%0.0117%0.168CC..Hα-helixtrans-63.3-32.2-179.600000113.9V282 S287 T288V282-G284 VanDerWaalsContact C-N 3.28Å; V282-G284 PolarHBondContact O-N 3.03Å; G284-S287 PolarHBondContact O-OG 2.69Å; G284-T288 WeakPolarHBondContact O-CB 3.29Å; G284-T288 PolarHBondContact O-N 3.32Å; G284-T288 PolarHBondContact O-OG1 3.43Å
285F87.7Confident78.5Confident36 Ų3631.8 Ų31.816%0.15817%0.167CC..Hα-helixtrans-69.4-47.4173.4-179.3-81000110.8W49 C53 M56 V282 W283 F289W49-F285 HydrophobicContact CB-CB 4.23Å; W49-F285 HydrophobicContact CE3-CD2 4.39Å; C53-F285 HydrophobicContact CB-CB 4.37Å; C53-F285 HydrophobicContact CB-CD2 3.43Å; C53-F285 VanDerWaalsContact CB-CD2 3.43Å; C53-F285 HydrophobicContact CB-CE2 3.72Å; C53-F285 HydrophobicContact CB-CG 3.87Å; C53-F285 HydrophobicContact CB-CZ 4.39Å; C53-F285 PolarHBondContact SG-O 3.01Å; M56-F285 HydrophobicContact SD-CE2 3.99Å; M56-F285 HydrophobicContact SD-CZ 4.34Å; V282-F285 HydrophobicContact CG1-CB 3.55Å; V282-F285 HydrophobicContact CG1-CD1 4.19Å; V282-F285 HydrophobicContact CG1-CG 4.04Å; V282-F285 WeakPolarHBondContact O-CB 3.2Å; V282-F285 PolarHBondContact O-N 3.15Å; W283-F285 VanDerWaalsContact C-N 3.3Å; W283-F285 PolarHBondContact O-N 3.5Å; F285-F289 PolarHBondContact O-N 3.28Å
286L88.8Confident80.4Confident27 Ų2729.6 Ų29.614%0.14115%0.149CC..Hα-helixtrans-70-41.4-174.8-62.3168.8000112P280 V282 W283 F289 V290 I510 W513P280-L286 HydrophobicContact CG-CD1 4.16Å; V282-L286 HydrophobicContact CG1-CG 4.28Å; V282-L286 WeakPolarHBondContact O-CG 3.19Å; V282-L286 PolarHBondContact O-N 2.72Å; V282-L286 VanDerWaalsContact O-N 3.08Å; W283-L286 PolarHBondContact O-N 2.66Å; W283-L286 VanDerWaalsContact O-N 3.15Å; L286-F289 PolarHBondContact O-N 3.34Å; L286-V290 PolarHBondContact O-N 2.85Å; L286-I510 HydrophobicContact CB-CG2 4.42Å; L286-I510 HydrophobicContact CD2-CB 4.34Å; L286-I510 HydrophobicContact CD2-CD1 4.49Å; L286-I510 HydrophobicContact CD2-CG1 3.81Å; L286-I510 HydrophobicContact CD2-CG2 3.95Å; L286-W513 HydrophobicContact CB-CD2 4.16Å; L286-W513 HydrophobicContact CB-CE3 3.45Å; L286-W513 VanDerWaalsContact CB-CE3 3.45Å; L286-W513 HydrophobicContact CB-CH2 3.66Å; L286-W513 HydrophobicContact CB-CZ2 4.33Å; L286-W513 HydrophobicContact CB-CZ3 3.17Å; L286-W513 HydrophobicContact CD1-CD2 3.52Å; L286-W513 HydrophobicContact CD1-CE3 3.76Å; L286-W513 HydrophobicContact CD1-CG 4.04Å; L286-W513 HydrophobicContact CD1-CH2 4.1Å; L286-W513 HydrophobicContact CD1-CZ2 3.9Å; L286-W513 HydrophobicContact CD1-CZ3 4.04Å; L286-W513 HydrophobicContact CG-CD2 4.38Å; L286-W513 HydrophobicContact CG-CE3 4.13Å; L286-W513 HydrophobicContact CG-CZ3 4.21Å
287S87.4Confident82Confident1 Ų128.3 Ų28.31%0.00714%0.144CC..Hα-helixtrans-64.2-47.1175.468.70000111D42 W283 G284 F289 V290 H291D42-S287 VanDerWaalsContact OD1-CB 3.32Å; D42-S287 WeakPolarHBondContact OD1-CB 3.38Å; D42-S287 PolarHBondContact OD1-OG 2.82Å; W283-S287 WeakPolarHBondContact O-CB 3.43Å; W283-S287 PolarHBondContact O-N 3.44Å; W283-S287 PolarHBondContact O-OG 3.49Å; G284-S287 PolarHBondContact O-OG 2.69Å; S287-F289 VanDerWaalsContact C-N 3.28Å; S287-F289 PolarHBondContact O-N 3.35Å; S287-V290 PolarHBondContact O-N 2.89Å; S287-V290 VanDerWaalsContact O-N 3.14Å; S287-H291 PolarHBondContact O-N 3Å; S287-H291 PolarHBondContact O-ND1 3.47Å
288T91.5Very high83.5Confident0 Ų022.5 Ų22.50%012%0.117CC..Hα-helixtrans-55.2-44.7175.9-630000111.1Y39 D42 S50 C53 G284 V290 H291 L292Y39-T288 HydrophobicContact CD2-CG2 4.17Å; Y39-T288 HydrophobicContact CE2-CG2 3.73Å; D42-T288 WeakPolarHBondContact CB-OG1 3.39Å; S50-T288 VanDerWaalsContact CB-OG1 3.23Å; S50-T288 WeakPolarHBondContact CB-OG1 3.42Å; C53-T288 HydrophobicContact CB-CG2 3.97Å; G284-T288 WeakPolarHBondContact O-CB 3.29Å; G284-T288 PolarHBondContact O-N 3.32Å; G284-T288 PolarHBondContact O-OG1 3.43Å; T288-V290 VanDerWaalsContact C-N 3.32Å; T288-V290 PolarHBondContact O-N 2.87Å; T288-H291 PolarHBondContact O-N 3.06Å; T288-L292 HydrophobicContact CG2-CD1 3.56Å; T288-L292 HydrophobicContact CG2-CG 3.88Å; T288-L292 WeakPolarHBondContact O-CB 3.49Å; T288-L292 WeakPolarHBondContact O-CG 3.41Å; T288-L292 PolarHBondContact O-N 3.48Å
289F92.1Very high84.9Confident11 Ų1122.1 Ų22.15%0.04811%0.113CC..Hα-helixtrans-57.5-45.7-179.7-179.8-87.6000111.9F57 Y61 F285 L286 S287 S293 I510 Y511F57-F289 AromaticContact CD2-CD2 3.72Å; F57-F289 HydrophobicContact CD2-CD2 3.72Å; F57-F289 AromaticContact CD2-CE2 3.85Å; F57-F289 HydrophobicContact CD2-CE2 3.85Å; F57-F289 HydrophobicContact CD2-CG 4.4Å; F57-F289 HydrophobicContact CE2-CD2 4.35Å; F57-F289 HydrophobicContact CE2-CE2 4.28Å; Y61-F289 AromaticContact CD1-CE2 3.93Å; Y61-F289 HydrophobicContact CD1-CE2 3.93Å; Y61-F289 HydrophobicContact CD1-CZ 4.01Å; Y61-F289 AromaticContact CD2-CE2 3.95Å; Y61-F289 HydrophobicContact CD2-CE2 3.95Å; Y61-F289 AromaticContact CD2-CZ 3.89Å; Y61-F289 HydrophobicContact CD2-CZ 3.89Å; Y61-F289 HydrophobicContact CE1-CE2 4.09Å; Y61-F289 AromaticContact CE1-CZ 3.68Å; Y61-F289 HydrophobicContact CE1-CZ 3.68Å; Y61-F289 HydrophobicContact CE2-CE2 4.17Å; Y61-F289 AromaticContact CE2-CZ 3.62Å; Y61-F289 HydrophobicContact CE2-CZ 3.62Å; Y61-F289 AromaticContact CG-CE2 3.84Å; Y61-F289 HydrophobicContact CG-CE2 3.84Å; Y61-F289 HydrophobicContact CG-CZ 4.09Å; Y61-F289 AromaticContact CZ-CZ 3.49Å; Y61-F289 VanDerWaalsContact CZ-CZ 3.49Å; F285-F289 PolarHBondContact O-N 3.28Å; L286-F289 PolarHBondContact O-N 3.34Å; S287-F289 VanDerWaalsContact C-N 3.28Å; S287-F289 PolarHBondContact O-N 3.35Å; F289-S293 VanDerWaalsContact O-CB 3.29Å; F289-S293 WeakPolarHBondContact O-CB 3.28Å; F289-S293 PolarHBondContact O-N 3.45Å; F289-I510 HydrophobicContact CB-CD1 4.46Å; F289-I510 HydrophobicContact CB-CG2 4.21Å; F289-I510 HydrophobicContact CD1-CB 4.1Å; F289-I510 HydrophobicContact CD1-CD1 3.78Å; F289-I510 HydrophobicContact CD1-CG2 3.57Å; F289-I510 HydrophobicContact CD2-CD1 3.89Å; F289-I510 HydrophobicContact CE1-CB 4.29Å; F289-I510 HydrophobicContact CE1-CD1 3.88Å; F289-I510 HydrophobicContact CE1-CG2 4.24Å; F289-I510 HydrophobicContact CE2-CD1 4Å; F289-I510 HydrophobicContact CG-CD1 3.78Å; F289-I510 HydrophobicContact CG-CG2 4.11Å; F289-I510 HydrophobicContact CZ-CD1 3.98Å; F289-Y511 HydrophobicContact CE1-CE2 4.26Å
290V90.3Very high86.3Confident0 Ų017.1 Ų17.10%09%0.09CC..Hα-helixtrans-67.9-47.5-179.3175.70000111L286 S287 T288 L292 S293 Q294 I510 Y511 Y514L286-V290 PolarHBondContact O-N 2.85Å; S287-V290 PolarHBondContact O-N 2.89Å; S287-V290 VanDerWaalsContact O-N 3.14Å; T288-V290 VanDerWaalsContact C-N 3.32Å; T288-V290 PolarHBondContact O-N 2.87Å; V290-L292 PolarHBondContact O-N 3.37Å; V290-S293 PolarHBondContact O-N 3.37Å; V290-Q294 WeakPolarHBondContact O-CG 3.48Å; V290-Q294 PolarHBondContact O-N 3.1Å; V290-I510 HydrophobicContact CG2-CG2 4.04Å; V290-Y511 HydrophobicContact CB-CE1 4.42Å; V290-Y511 HydrophobicContact CG1-CD1 4.33Å; V290-Y511 HydrophobicContact CG1-CE1 3.74Å; V290-Y511 HydrophobicContact CG2-CD1 4.16Å; V290-Y511 HydrophobicContact CG2-CE1 4.1Å; V290-Y514 HydrophobicContact CB-CD1 4.26Å; V290-Y514 HydrophobicContact CB-CD2 4.46Å; V290-Y514 HydrophobicContact CB-CE1 4.37Å; V290-Y514 HydrophobicContact CB-CG 4.31Å; V290-Y514 HydrophobicContact CG1-CD1 3.63Å; V290-Y514 HydrophobicContact CG1-CE1 3.56Å; V290-Y514 HydrophobicContact CG1-CG 4.17Å; V290-Y514 HydrophobicContact CG2-CD1 4.09Å; V290-Y514 HydrophobicContact CG2-CD2 4.19Å; V290-Y514 HydrophobicContact CG2-CG 3.82Å
291H91.5Very high87.4Confident14 Ų1414.8 Ų14.87%0.0658%0.075CC..Hα-helixtrans-64-39.3-179.9-64.5152000112.1D42 S287 T288 Q294 S295 Y514D42-H291 IonicContact OD1-CE1 2.96Å; D42-H291 IonicContact OD1-ND1 2.73Å; D42-H291 PolarHBondContact OD1-ND1 3.25Å; D42-H291 IonicContact OD2-CE1 3.41Å; D42-H291 IonicContact OD2-CG 2.79Å; D42-H291 IonicContact OD2-ND1 3.21Å; D42-H291 PolarHBondContact OD2-ND1 3.06Å; S287-H291 PolarHBondContact O-N 3Å; S287-H291 PolarHBondContact O-ND1 3.47Å; T288-H291 PolarHBondContact O-N 3.06Å; H291-Q294 PolarHBondContact O-N 2.82Å; H291-S295 VanDerWaalsContact O-CB 3.27Å; H291-S295 WeakPolarHBondContact O-CB 3.4Å; H291-S295 PolarHBondContact O-N 3.46Å; H291-S295 PolarHBondContact O-OG 2.89Å; H291-Y514 PolarHBondContact NE2-OH 2.86Å
292L92.9Very high88.7Confident0 Ų09.9 Ų9.90%05%0.049CC..Hα-helixtrans-65.3-46174.1-66.3178.6000111.3M35 Y39 F54 F57 T288 V290 Q294 S295 Y296M35-L292 HydrophobicContact CE-CD2 3.51Å; M35-L292 HydrophobicContact SD-CD2 3.99Å; Y39-L292 HydrophobicContact CD2-CD2 4.22Å; Y39-L292 HydrophobicContact CE1-CD2 4.41Å; Y39-L292 HydrophobicContact CE2-CD2 4.09Å; Y39-L292 HydrophobicContact CG-CD2 4.48Å; F54-L292 HydrophobicContact CB-CD1 4.23Å; F54-L292 HydrophobicContact CD2-CD1 3.89Å; F54-L292 HydrophobicContact CD2-CD2 4.03Å; F54-L292 HydrophobicContact CE2-CD2 4.45Å; F54-L292 HydrophobicContact CG-CD1 4.49Å; F57-L292 HydrophobicContact CB-CD1 4.05Å; F57-L292 HydrophobicContact CD1-CB 3.97Å; F57-L292 HydrophobicContact CD1-CD1 4.03Å; F57-L292 HydrophobicContact CD2-CB 4.25Å; F57-L292 HydrophobicContact CE1-CB 3.87Å; F57-L292 HydrophobicContact CE2-CB 4.13Å; F57-L292 HydrophobicContact CG-CB 4.17Å; F57-L292 HydrophobicContact CG-CD1 3.98Å; F57-L292 HydrophobicContact CZ-CB 3.93Å; T288-L292 HydrophobicContact CG2-CD1 3.56Å; T288-L292 HydrophobicContact CG2-CG 3.88Å; T288-L292 WeakPolarHBondContact O-CB 3.49Å; T288-L292 WeakPolarHBondContact O-CG 3.41Å; T288-L292 PolarHBondContact O-N 3.48Å; V290-L292 PolarHBondContact O-N 3.37Å; L292-Q294 VanDerWaalsContact C-N 3.26Å; L292-Q294 PolarHBondContact O-N 2.96Å; L292-S295 PolarHBondContact O-N 2.83Å; L292-Y296 HydrophobicContact CB-CD2 4.16Å; L292-Y296 HydrophobicContact CB-CE2 4.19Å; L292-Y296 HydrophobicContact CD2-CE2 3.9Å; L292-Y296 WeakPolarHBondContact O-CB 3.36Å; L292-Y296 WeakPolarHBondContact O-CD2 3.38Å; L292-Y296 PolarHBondContact O-N 3.22Å
293S91.3Very high89.6Confident1 Ų17.4 Ų7.41%0.0073%0.034CC..Hα-helixtrans-56.4-39.5177.6-177.20000112.9F289 V290 L298 W299 Y511F289-S293 VanDerWaalsContact O-CB 3.29Å; F289-S293 WeakPolarHBondContact O-CB 3.28Å; F289-S293 PolarHBondContact O-N 3.45Å; V290-S293 PolarHBondContact O-N 3.37Å; S293-L298 PolarHBondContact O-N 3.49Å; S293-W299 PolarHBondContact OG-NE1 3.01Å; S293-Y511 WeakPolarHBondContact CB-OH 3.31Å; S293-Y511 PolarHBondContact OG-OH 3.35Å
294Q89.5Confident90.2Very high11 Ų116.2 Ų6.25%0.0513%0.03CC..Hα-helixtrans-73.9-44.1176.4-70.2174.7-14.400112.9V290 H291 L292 N297 D461V290-Q294 WeakPolarHBondContact O-CG 3.48Å; V290-Q294 PolarHBondContact O-N 3.1Å; H291-Q294 PolarHBondContact O-N 2.82Å; L292-Q294 VanDerWaalsContact C-N 3.26Å; L292-Q294 PolarHBondContact O-N 2.96Å; Q294-N297 PolarHBondContact O-N 3.36Å; Q294-N297 VanDerWaalsContact O-N 3.14Å; Q294-D461 PolarHBondContact NE2-O 2.67Å
295S91.7Very high90.7Very high1 Ų16.3 Ų6.31%0.0073%0.03CC..Hα-helixtrans-64.2-43.1-178.5-570000111.9S32 T34 H291 L292 N297S32-S295 WeakPolarHBondContact OG-CA 3.4Å; S32-S295 VanDerWaalsContact OG-CB 3.31Å; S32-S295 WeakPolarHBondContact OG-CB 3.42Å; S32-S295 PolarHBondContact OG-OG 2.89Å; T34-S295 WeakPolarHBondContact CB-OG 3.19Å; T34-S295 PolarHBondContact OG1-OG 3.3Å; H291-S295 VanDerWaalsContact O-CB 3.27Å; H291-S295 WeakPolarHBondContact O-CB 3.4Å; H291-S295 PolarHBondContact O-N 3.46Å; H291-S295 PolarHBondContact O-OG 2.89Å; L292-S295 PolarHBondContact O-N 2.83Å; S295-N297 PolarHBondContact O-N 3.06Å
296Y91.8Very high90.9Very high1 Ų14.7 Ų4.70%0.0042%0.023CC..THydrogen-bonded Turntrans-76.24.3176.1-69.4-64000113.9F30 M35 F57 H58 L292 L298 Y303 S328F30-Y296 HydrophobicContact CB-CD1 3.76Å; F30-Y296 HydrophobicContact CB-CE1 4.2Å; F30-Y296 HydrophobicContact CD1-CD1 4.48Å; F30-Y296 VanDerWaalsContact CD1-O 3.23Å; F30-Y296 WeakPolarHBondContact CD1-O 3.43Å; F30-Y296 VanDerWaalsContact CE1-O 3.23Å; F30-Y296 WeakPolarHBondContact CE1-O 3.4Å; F30-Y296 HydrophobicContact CG-CD1 4.24Å; M35-Y296 HydrophobicContact CE-CD2 4.1Å; M35-Y296 HydrophobicContact CE-CE1 4.04Å; M35-Y296 HydrophobicContact CE-CE2 3.43Å; M35-Y296 VanDerWaalsContact CE-CE2 3.43Å; M35-Y296 WeakPolarHBondContact CE-OH 3.48Å; F57-Y296 HydrophobicContact CD1-CD2 4.41Å; F57-Y296 AromaticContact CE1-CD2 3.59Å; F57-Y296 HydrophobicContact CE1-CD2 3.59Å; F57-Y296 HydrophobicContact CE1-CE2 4.1Å; F57-Y296 HydrophobicContact CZ-CD2 4.28Å; H58-Y296 AromaticContact CE1-CE2 3.39Å; H58-Y296 WeakPolarHBondContact CE1-CE2 3.4Å; H58-Y296 AromaticContact CE1-CZ 3.56Å; H58-Y296 PolarHBondContact CE1-OH 3.16Å; H58-Y296 VanDerWaalsContact CE1-OH 3.28Å; H58-Y296 AromaticContact NE2-CE1 3.9Å; H58-Y296 AromaticContact NE2-CE2 3.2Å; H58-Y296 WeakPolarHBondContact NE2-CE2 3.36Å; H58-Y296 AromaticContact NE2-CZ 3.08Å; H58-Y296 PolarHBondContact NE2-OH 3.12Å; L292-Y296 HydrophobicContact CB-CD2 4.16Å; L292-Y296 HydrophobicContact CB-CE2 4.19Å; L292-Y296 HydrophobicContact CD2-CE2 3.9Å; L292-Y296 WeakPolarHBondContact O-CB 3.36Å; L292-Y296 WeakPolarHBondContact O-CD2 3.38Å; L292-Y296 PolarHBondContact O-N 3.22Å; Y296-L298 PolarHBondContact O-N 2.9Å; Y296-L298 VanDerWaalsContact O-N 3.1Å; Y296-Y303 VanDerWaalsContact O-CE2 3.29Å; Y296-Y303 WeakPolarHBondContact O-CE2 3.27Å; Y296-S328 VanDerWaalsContact CE1-CB 3.43Å; Y296-S328 WeakPolarHBondContact CE1-O 3.31Å; Y296-S328 WeakPolarHBondContact CE1-OG 3.27Å; Y296-S328 PolarHBondContact OH-O 3.38Å
297N91.8Very high90.9Very high4 Ų43.4 Ų3.42%0.0212%0.016CC..THydrogen-bonded Turntrans54.331175.3-66.1-55.1000114.2F30 Q294 S295 W299 N300 V302 N395F30-N297 HydrophobicContact CD1-CB 4.38Å; F30-N297 HydrophobicContact CE1-CB 4.27Å; Q294-N297 PolarHBondContact O-N 3.36Å; Q294-N297 VanDerWaalsContact O-N 3.14Å; S295-N297 PolarHBondContact O-N 3.06Å; N297-W299 PolarHBondContact O-N 3.4Å; N297-W299 VanDerWaalsContact O-N 3.15Å; N297-N300 HydrophobicContact CB-CB 4.09Å; N297-N300 PolarHBondContact O-N 3.37Å; N297-N300 PolarHBondContact OD1-ND2 3.35Å; N297-V302 HydrophobicContact CB-CB 3.96Å; N297-V302 HydrophobicContact CB-CG1 4.46Å; N297-V302 HydrophobicContact CB-CG2 3.72Å; N297-N395 PolarHBondContact ND2-OD1 2.64Å; N297-N395 VanDerWaalsContact ND2-OD1 3.13Å
298L90.3Very high91Very high0 Ų05 Ų50%02%0.023CC..THydrogen-bonded Turntrans-58-31.8-174.8-76.2175.6000113.5F57 Y61 I65 T66 Q69 S293 Y296 Y303F57-L298 HydrophobicContact CE1-CD1 4.3Å; F57-L298 HydrophobicContact CE2-CD1 4.13Å; F57-L298 HydrophobicContact CZ-CD1 3.46Å; F57-L298 VanDerWaalsContact CZ-CD1 3.46Å; Y61-L298 HydrophobicContact CD1-CD1 4.08Å; Y61-L298 HydrophobicContact CE1-CD1 3.69Å; I65-L298 HydrophobicContact CG2-CD2 4.24Å; T66-L298 HydrophobicContact CG2-CD2 3.56Å; Q69-L298 PolarHBondContact NE2-O 2.86Å; Q69-L298 PolarHBondContact OE1-O 3.14Å; S293-L298 PolarHBondContact O-N 3.49Å; Y296-L298 PolarHBondContact O-N 2.9Å; Y296-L298 VanDerWaalsContact O-N 3.1Å; L298-Y303 HydrophobicContact CD2-CD2 4.25Å; L298-Y303 HydrophobicContact CD2-CE2 3.69Å; L298-Y303 HydrophobicContact CG-CE2 4.43Å
299W89.1Confident90.8Very high13 Ų135.1 Ų5.15%0.0492%0.024CC..THydrogen-bonded Turntrans-119.814.2-173.3-51108.3000113.4Y61 I65 S293 N297 G301 V468 Q471 V472 F475 Y500Y61-W299 WeakPolarHBondContact OH-CZ2 3.03Å; I65-W299 HydrophobicContact CD1-CH2 4.15Å; I65-W299 HydrophobicContact CD1-CZ2 3.78Å; I65-W299 HydrophobicContact CG1-CH2 4.4Å; I65-W299 HydrophobicContact CG2-CH2 3.71Å; I65-W299 HydrophobicContact CG2-CZ2 4.05Å; I65-W299 HydrophobicContact CG2-CZ3 4.29Å; S293-W299 PolarHBondContact OG-NE1 3.01Å; N297-W299 PolarHBondContact O-N 3.4Å; N297-W299 VanDerWaalsContact O-N 3.15Å; W299-G301 VanDerWaalsContact C-N 3.35Å; W299-V468 HydrophobicContact CB-CG2 3.78Å; W299-V468 HydrophobicContact CD2-CB 4.44Å; W299-V468 HydrophobicContact CD2-CG1 3.93Å; W299-V468 HydrophobicContact CD2-CG2 4.27Å; W299-V468 HydrophobicContact CG-CB 4.22Å; W299-V468 HydrophobicContact CG-CG1 4.09Å; W299-V468 HydrophobicContact CG-CG2 3.57Å; W299-V468 HydrophobicContact CZ2-CG1 4.22Å; W299-Q471 HydrophobicContact CE3-CB 4.44Å; W299-Q471 PolarHBondContact O-NE2 3.06Å; W299-Q471 PolarHBondContact O-OE1 3.16Å; W299-V472 HydrophobicContact CE3-CG2 4Å; W299-V472 HydrophobicContact CH2-CB 4.46Å; W299-V472 HydrophobicContact CH2-CG2 3.11Å; W299-V472 HydrophobicContact CZ2-CG2 3.78Å; W299-V472 HydrophobicContact CZ3-CB 4.35Å; W299-V472 HydrophobicContact CZ3-CG2 3.24Å; W299-F475 HydrophobicContact CZ3-CD2 4.29Å; W299-F475 HydrophobicContact CZ3-CE2 4.31Å; W299-Y500 WeakPolarHBondContact CH2-OH 3.29Å
300N88Confident90.5Very high6 Ų64.6 Ų4.63%0.0322%0.022CC..THydrogen-bonded Turntrans-94.37.1178.5-80.2-2.4000112N102 K105 N297 V302N102-N300 PolarHBondContact ND2-O 3Å; N102-N300 WeakPolarHBondContact OD1-CB 3.49Å; N102-N300 PolarHBondContact OD1-ND2 2.93Å; N102-N300 PolarHBondContact OD1-OD1 2.88Å; K105-N300 VanDerWaalsContact CD-ND2 3.31Å; K105-N300 WeakPolarHBondContact CD-ND2 3.35Å; K105-N300 PolarHBondContact NZ-ND2 3.08Å; K105-N300 PolarHBondContact NZ-OD1 3.15Å; N297-N300 HydrophobicContact CB-CB 4.09Å; N297-N300 PolarHBondContact O-N 3.37Å; N297-N300 PolarHBondContact OD1-ND2 3.35Å; N300-V302 HydrophobicContact CB-CG2 4.2Å; N300-V302 PolarHBondContact O-N 3.37Å
301G88.8Confident89.6Confident1 Ų14.9 Ų4.91%0.012%0.023CC..THydrogen-bonded Turntrans72.513.6-175.800000114.5W299 P304 T305 H406W299-G301 VanDerWaalsContact C-N 3.35Å; G301-P304 VanDerWaalsContact C-CD 3.47Å; G301-P304 WeakPolarHBondContact O-CD 3.41Å; G301-T305 PolarHBondContact O-OG1 2.9Å; G301-H406 PolarHBondContact O-CE1 3.25Å; G301-H406 PolarHBondContact O-NE2 3.11Å
302V93.1Very high88.5Confident0 Ų04.6 Ų4.60%03%0.025CC..Hα-helixtrans-71.7-51.8179.1171.30000112F30 N297 N300 T305 I306 L398F30-V302 HydrophobicContact CE1-CG1 4.09Å; F30-V302 HydrophobicContact CZ-CG1 4.27Å; N297-V302 HydrophobicContact CB-CB 3.96Å; N297-V302 HydrophobicContact CB-CG1 4.46Å; N297-V302 HydrophobicContact CB-CG2 3.72Å; N300-V302 HydrophobicContact CB-CG2 4.2Å; N300-V302 PolarHBondContact O-N 3.37Å; V302-T305 WeakPolarHBondContact O-CB 3.44Å; V302-T305 PolarHBondContact O-N 2.81Å; V302-I306 HydrophobicContact CG1-CD1 3.71Å; V302-I306 HydrophobicContact CG1-CG1 4.27Å; V302-I306 WeakPolarHBondContact O-CG1 3.28Å; V302-I306 PolarHBondContact O-N 3.46Å; V302-L398 HydrophobicContact CG1-CD1 4.07Å; V302-L398 HydrophobicContact CG1-CD2 3.66Å; V302-L398 HydrophobicContact CG1-CG 3.79Å
303Y92.8Very high87.5Confident2 Ų26.1 Ų6.11%0.0084%0.04CC..Hα-helixtrans-59.1-36.1177.6-71.4-81.7000114.6F30 T66 Y296 L298 T305 I306 G307 V324F30-Y303 HydrophobicContact CE1-CE2 4.1Å; F30-Y303 AromaticContact CE1-CZ 3.94Å; F30-Y303 HydrophobicContact CZ-CE1 4.22Å; F30-Y303 HydrophobicContact CZ-CE2 4.45Å; F30-Y303 AromaticContact CZ-CZ 3.93Å; T66-Y303 HydrophobicContact CG2-CD1 3.91Å; T66-Y303 HydrophobicContact CG2-CD2 4.23Å; T66-Y303 HydrophobicContact CG2-CE1 3.45Å; T66-Y303 VanDerWaalsContact CG2-CE1 3.45Å; T66-Y303 HydrophobicContact CG2-CE2 3.83Å; T66-Y303 HydrophobicContact CG2-CG 4.27Å; T66-Y303 VanDerWaalsContact CG2-CZ 3.41Å; Y296-Y303 VanDerWaalsContact O-CE2 3.29Å; Y296-Y303 WeakPolarHBondContact O-CE2 3.27Å; L298-Y303 HydrophobicContact CD2-CD2 4.25Å; L298-Y303 HydrophobicContact CD2-CE2 3.69Å; L298-Y303 HydrophobicContact CG-CE2 4.43Å; Y303-T305 VanDerWaalsContact C-N 3.33Å; Y303-T305 PolarHBondContact O-N 3.32Å; Y303-I306 HydrophobicContact CD1-CD1 4.2Å; Y303-I306 PolarHBondContact O-N 3.16Å; Y303-G307 PolarHBondContact O-N 2.98Å; Y303-V324 HydrophobicContact CE1-CG1 4.2Å
304P92.2Very high86.6Confident1 Ų114.6 Ų14.61%0.0067%0.072CC..Hα-helixtrans-52.7-48.5167.4-33.938.4000113.5F73 I80 G301 G307 K308 F475F73-P304 HydrophobicContact CB-CB 4.47Å; F73-P304 WeakPolarHBondContact CB-O 3.22Å; F73-P304 HydrophobicContact CD1-CB 3.83Å; F73-P304 HydrophobicContact CD2-CB 3.44Å; F73-P304 VanDerWaalsContact CD2-CB 3.44Å; F73-P304 HydrophobicContact CD2-CG 3.71Å; F73-P304 HydrophobicContact CE1-CB 3.83Å; F73-P304 HydrophobicContact CE2-CB 3.48Å; F73-P304 VanDerWaalsContact CE2-CB 3.48Å; F73-P304 HydrophobicContact CE2-CG 3.46Å; F73-P304 VanDerWaalsContact CE2-CG 3.46Å; F73-P304 VanDerWaalsContact CG-CA 3.45Å; F73-P304 HydrophobicContact CG-CB 3.63Å; F73-P304 HydrophobicContact CG-CG 4.41Å; F73-P304 HydrophobicContact CZ-CB 3.67Å; F73-P304 HydrophobicContact CZ-CG 3.93Å; I80-P304 HydrophobicContact CB-CB 4.46Å; G301-P304 VanDerWaalsContact C-CD 3.47Å; G301-P304 WeakPolarHBondContact O-CD 3.41Å; P304-G307 PolarHBondContact O-N 3.39Å; P304-K308 PolarHBondContact O-N 2.75Å; P304-F475 HydrophobicContact CG-CZ 4.18Å
305T92.2Very high86.1Confident3 Ų322.5 Ų22.52%0.01811%0.106CC..Hα-helixtrans-64.8-42.5177.7-56.30000111.2G301 V302 Y303 G307 K308 L309 E405 H406G301-T305 PolarHBondContact O-OG1 2.9Å; V302-T305 WeakPolarHBondContact O-CB 3.44Å; V302-T305 PolarHBondContact O-N 2.81Å; Y303-T305 VanDerWaalsContact C-N 3.33Å; Y303-T305 PolarHBondContact O-N 3.32Å; T305-G307 PolarHBondContact O-N 2.93Å; T305-K308 WeakPolarHBondContact O-CB 3.23Å; T305-K308 PolarHBondContact O-N 3.01Å; T305-L309 HydrophobicContact CG2-CD1 3.87Å; T305-L309 HydrophobicContact CG2-CG 4.34Å; T305-L309 VanDerWaalsContact O-CG 3.23Å; T305-L309 WeakPolarHBondContact O-CG 3.09Å; T305-L309 PolarHBondContact O-N 3.28Å; T305-E405 HydrophobicContact CG2-CB 3.93Å; T305-E405 HydrophobicContact CG2-CG 3.85Å; T305-H406 PolarHBondContact OG1-CE1 3.18Å; T305-H406 VanDerWaalsContact OG1-CE1 3.23Å; T305-H406 PolarHBondContact OG1-NE2 3.25Å
306I91.2Very high85.5Confident1 Ų124.5 Ų24.51%0.00512%0.116CC..Hα-helixtrans-60.2-46.6176.5-59.3167.2000110.6W18 L26 F30 F70 V302 Y303 K308 L309 V310W18-I306 HydrophobicContact CZ3-CG1 4.4Å; L26-I306 HydrophobicContact CD2-CB 4.48Å; L26-I306 HydrophobicContact CD2-CD1 3.31Å; L26-I306 HydrophobicContact CD2-CG1 3.54Å; L26-I306 HydrophobicContact CD2-CG2 4.07Å; F30-I306 HydrophobicContact CZ-CD1 3.84Å; F70-I306 HydrophobicContact CD2-CG2 4.16Å; F70-I306 HydrophobicContact CE2-CG2 3.91Å; V302-I306 HydrophobicContact CG1-CD1 3.71Å; V302-I306 HydrophobicContact CG1-CG1 4.27Å; V302-I306 WeakPolarHBondContact O-CG1 3.28Å; V302-I306 PolarHBondContact O-N 3.46Å; Y303-I306 HydrophobicContact CD1-CD1 4.2Å; Y303-I306 PolarHBondContact O-N 3.16Å; I306-K308 VanDerWaalsContact C-N 3.32Å; I306-K308 PolarHBondContact O-N 3.09Å; I306-L309 PolarHBondContact O-N 3.25Å; I306-L309 VanDerWaalsContact O-N 3.15Å; I306-V310 HydrophobicContact CG2-CG2 3.93Å; I306-V310 WeakPolarHBondContact O-CB 3.39Å; I306-V310 VanDerWaalsContact O-CG2 3.27Å; I306-V310 WeakPolarHBondContact O-CG2 3.15Å; I306-V310 PolarHBondContact O-N 3.29Å
307G90.1Very high84.8Confident0 Ų027.9 Ų27.90%013%0.129CC..Hα-helixtrans-58-4417700000112.1S74 Y303 P304 T305 L309 S311S74-G307 WeakPolarHBondContact CA-O 3.29Å; S74-G307 VanDerWaalsContact CB-O 3.23Å; S74-G307 WeakPolarHBondContact CB-O 3.45Å; S74-G307 PolarHBondContact N-O 3.46Å; Y303-G307 PolarHBondContact O-N 2.98Å; P304-G307 PolarHBondContact O-N 3.39Å; T305-G307 PolarHBondContact O-N 2.93Å; G307-L309 PolarHBondContact O-N 2.82Å; G307-S311 PolarHBondContact O-N 3.43Å
308K89.4Confident84.3Confident36 Ų3630.2 Ų30.216%0.15714%0.139CC..Hα-helixtrans-58.4-44.7174.9177.3-176.3-179.9-164.10111.9R77 P304 T305 I306 S311 E405R77-K308 WeakPolarHBondContact O-CE 3.2Å; P304-K308 PolarHBondContact O-N 2.75Å; T305-K308 WeakPolarHBondContact O-CB 3.23Å; T305-K308 PolarHBondContact O-N 3.01Å; I306-K308 VanDerWaalsContact C-N 3.32Å; I306-K308 PolarHBondContact O-N 3.09Å; K308-S311 VanDerWaalsContact O-CB 3.29Å; K308-S311 WeakPolarHBondContact O-CB 3.45Å; K308-S311 PolarHBondContact O-OG 3.3Å; K308-E405 IonicContact NZ-OE2 3.59Å; K308-E405 PolarHBondContact NZ-OE2 3.06Å
309L87.5Confident84Confident2 Ų234.9 Ų34.91%0.0116%0.164CC..Hα-helixtrans-76-34.1-176.1-64.2174.7000113.4Q17 W18 P215 T305 I306 G307 S311 L401Q17-L309 HydrophobicContact CB-CD2 4.43Å; Q17-L309 PolarHBondContact N-O 2.88Å; W18-L309 HydrophobicContact CD2-CB 3.85Å; W18-L309 HydrophobicContact CD2-CD1 4.09Å; W18-L309 HydrophobicContact CE3-CB 3.96Å; W18-L309 HydrophobicContact CE3-CD1 4.16Å; W18-L309 HydrophobicContact CG-CB 4.19Å; W18-L309 HydrophobicContact CH2-CD1 3.51Å; W18-L309 HydrophobicContact CZ2-CD1 3.42Å; W18-L309 VanDerWaalsContact CZ2-CD1 3.42Å; W18-L309 HydrophobicContact CZ3-CB 4.42Å; W18-L309 HydrophobicContact CZ3-CD1 3.88Å; W18-L309 PolarHBondContact N-O 3.44Å; P215-L309 HydrophobicContact CB-CD1 3.87Å; P215-L309 HydrophobicContact CB-CD2 3.66Å; P215-L309 HydrophobicContact CB-CG 4.44Å; P215-L309 HydrophobicContact CG-CD2 3.95Å; T305-L309 HydrophobicContact CG2-CD1 3.87Å; T305-L309 HydrophobicContact CG2-CG 4.34Å; T305-L309 VanDerWaalsContact O-CG 3.23Å; T305-L309 WeakPolarHBondContact O-CG 3.09Å; T305-L309 PolarHBondContact O-N 3.28Å; I306-L309 PolarHBondContact O-N 3.25Å; I306-L309 VanDerWaalsContact O-N 3.15Å; G307-L309 PolarHBondContact O-N 2.82Å; L309-S311 VanDerWaalsContact C-N 3.28Å; L309-S311 PolarHBondContact O-N 3.25Å; L309-L401 HydrophobicContact CD1-CD2 4.5Å
310V84.6Confident83.8Confident0 Ų034.3 Ų34.30%016%0.162CC..THydrogen-bonded Turntrans-94.227-178.7-168.60000111.4W18 A23 F70 I306 G312 M316W18-V310 HydrophobicContact CB-CG2 3.95Å; W18-V310 HydrophobicContact CE3-CG2 3.89Å; A23-V310 HydrophobicContact CB-CG2 4.37Å; F70-V310 HydrophobicContact CE2-CB 3.83Å; F70-V310 HydrophobicContact CE2-CG1 4.13Å; F70-V310 HydrophobicContact CE2-CG2 4.27Å; F70-V310 HydrophobicContact CZ-CB 3.66Å; F70-V310 HydrophobicContact CZ-CG1 3.62Å; I306-V310 HydrophobicContact CG2-CG2 3.93Å; I306-V310 WeakPolarHBondContact O-CB 3.39Å; I306-V310 VanDerWaalsContact O-CG2 3.27Å; I306-V310 WeakPolarHBondContact O-CG2 3.15Å; I306-V310 PolarHBondContact O-N 3.29Å; V310-G312 PolarHBondContact O-N 3.08Å; V310-M316 HydrophobicContact CG1-CG 3.58Å; V310-M316 HydrophobicContact CG1-SD 3.88Å; V310-M316 WeakPolarHBondContact O-CG 3.35Å
311S71.8Confident83.9Confident5 Ų535.8 Ų35.84%0.03517%0.167CC..  trans-74.826.8-172.256.60000116.1R77 G307 K308 L309R77-S311 VanDerWaalsContact NE-CB 3.32Å; R77-S311 PolarHBondContact NE-OG 3.34Å; R77-S311 VanDerWaalsContact NE-OG 3.09Å; R77-S311 PolarHBondContact NH2-O 2.95Å; G307-S311 PolarHBondContact O-N 3.43Å; K308-S311 VanDerWaalsContact O-CB 3.29Å; K308-S311 WeakPolarHBondContact O-CB 3.45Å; K308-S311 PolarHBondContact O-OG 3.3Å; L309-S311 VanDerWaalsContact C-N 3.28Å; L309-S311 PolarHBondContact O-N 3.25Å
312G68.8Low84Confident9 Ų938.4 Ų38.49%0.09318%0.18CC..  trans-64179.7179.100000114.1V310V310-G312 PolarHBondContact O-N 3.08Å
313G71.5Confident84Confident32 Ų3240 Ų4033%0.3319%0.191SC..SBendtrans-48.7168.4-173.900000115.1E13 K315 M316 R317E13-G313 WeakPolarHBondContact OE2-CA 3.33Å; G313-K315 VanDerWaalsContact C-N 3.26Å; G313-K315 PolarHBondContact O-N 3.18Å; G313-M316 WeakPolarHBondContact O-CB 3.21Å; G313-M316 PolarHBondContact O-N 3.29Å; G313-R317 PolarHBondContact O-N 3.28Å
314R73.5Confident84Confident179 Ų17940 Ų4068%0.67519%0.191SC*.Hα-helixtrans-42.3-43.6-166.5-166.2-176.5-59.9178.43.8115.4R317 H318R314-R317 PolarHBondContact O-N 2.98Å; R314-H318 PolarHBondContact O-CD2 3.18Å; R314-H318 PolarHBondContact O-N 3.28Å
315K77.9Confident84Confident177 Ų17740.3 Ų40.377%0.7719%0.192SC*.Hα-helixtrans-61.9-45.5178.8-67.9-175.1179.3-177.90112.6G313 R317 H318 L319G313-K315 VanDerWaalsContact C-N 3.26Å; G313-K315 PolarHBondContact O-N 3.18Å; K315-R317 VanDerWaalsContact C-N 3.3Å; K315-R317 PolarHBondContact O-N 3.41Å; K315-H318 PolarHBondContact O-N 2.91Å; K315-H318 VanDerWaalsContact O-N 3.13Å; K315-L319 WeakPolarHBondContact O-CB 3.35Å; K315-L319 PolarHBondContact O-N 2.81Å
316M79.5Confident84.1Confident43 Ų4344.7 Ų44.721%0.21222%0.215CC..Hα-helixtrans-63.5-39-178.4-166.264.676.500111.5L20 F70 V310 G313 H318 L319 G320L20-M316 HydrophobicContact CB-CE 3.77Å; L20-M316 HydrophobicContact CB-SD 4.15Å; L20-M316 HydrophobicContact CD1-CE 4.35Å; L20-M316 HydrophobicContact CD1-SD 3.65Å; L20-M316 HydrophobicContact CG-SD 4.48Å; F70-M316 WeakPolarHBondContact CE1-O 3.33Å; V310-M316 HydrophobicContact CG1-CG 3.58Å; V310-M316 HydrophobicContact CG1-SD 3.88Å; V310-M316 WeakPolarHBondContact O-CG 3.35Å; G313-M316 WeakPolarHBondContact O-CB 3.21Å; G313-M316 PolarHBondContact O-N 3.29Å; M316-H318 PolarHBondContact O-N 3.22Å; M316-L319 PolarHBondContact O-N 2.98Å; M316-G320 WeakPolarHBondContact O-CA 3.42Å; M316-G320 PolarHBondContact O-N 3.46Å
317R77.6Confident84.2Confident72 Ų7245.4 Ų45.427%0.27222%0.222SC..Hα-helixtrans-58.2-35174.9-178.9173-60.1148.94.3113.3S74 G313 R314 K315S74-R317 WeakPolarHBondContact OG-CG 3.31Å; G313-R317 PolarHBondContact O-N 3.28Å; R314-R317 PolarHBondContact O-N 2.98Å; K315-R317 VanDerWaalsContact C-N 3.3Å; K315-R317 PolarHBondContact O-N 3.41Å
318H80.3Confident84.3Confident53 Ų5345.4 Ų45.425%0.24522%0.222CC..Hα-helixtrans-93.7-28.4-177.1-72.6-70.2000113.9R314 K315 M316 W321R314-H318 PolarHBondContact O-CD2 3.18Å; R314-H318 PolarHBondContact O-N 3.28Å; K315-H318 PolarHBondContact O-N 2.91Å; K315-H318 VanDerWaalsContact O-N 3.13Å; M316-H318 PolarHBondContact O-N 3.22Å; H318-W321 PolarHBondContact O-NE1 2.92Å
319L84.1Confident84.5Confident98 Ų9844.7 Ų44.751%0.51322%0.223SC..Hα-helixtrans-113.7-11.6-171.2-63.9167.9000114K315 M316 W321 I322 P323K315-L319 WeakPolarHBondContact O-CB 3.35Å; K315-L319 PolarHBondContact O-N 2.81Å; M316-L319 PolarHBondContact O-N 2.98Å; L319-W321 VanDerWaalsContact C-N 3.26Å; L319-W321 PolarHBondContact O-N 3.33Å; L319-I322 HydrophobicContact CD2-CD1 3.57Å; L319-I322 PolarHBondContact O-N 3.25Å; L319-P323 WeakPolarHBondContact O-CD 3.34Å
320G84.9Confident84.8Confident0 Ų050.7 Ų50.70%025%0.254CS..THydrogen-bonded Turntrans-66.4-20.2-171.600000115.6M316M316-G320 WeakPolarHBondContact O-CA 3.42Å; M316-G320 PolarHBondContact O-N 3.46Å
321W89.2Confident85.3Confident37 Ų3751.6 Ų51.614%0.1426%0.259CS..THydrogen-bonded Turntrans-81.9-24.2177.263.9-85.2000113C63 Y67 F70 H318 L319 V324 V325C63-W321 HydrophobicContact CB-CH2 4.26Å; C63-W321 HydrophobicContact CB-CZ3 4.05Å; Y67-W321 AromaticContact CD2-CE2 3.89Å; Y67-W321 HydrophobicContact CD2-CZ2 4.13Å; Y67-W321 AromaticContact CD2-NE1 3.54Å; F70-W321 HydrophobicContact CB-CB 4.07Å; F70-W321 HydrophobicContact CD1-CB 4.32Å; F70-W321 HydrophobicContact CD2-CB 4.11Å; F70-W321 HydrophobicContact CG-CB 3.92Å; H318-W321 PolarHBondContact O-NE1 2.92Å; L319-W321 VanDerWaalsContact C-N 3.26Å; L319-W321 PolarHBondContact O-N 3.33Å; W321-V324 WeakPolarHBondContact O-CB 3.35Å; W321-V324 PolarHBondContact O-N 2.93Å; W321-V325 HydrophobicContact CE3-CB 4.49Å; W321-V325 HydrophobicContact CE3-CG2 3.88Å; W321-V325 HydrophobicContact CZ3-CG2 4.35Å; W321-V325 PolarHBondContact O-N 3.03Å; W321-V325 VanDerWaalsContact O-N 3.13Å
322I92Very high86.3Confident56 Ų5651.4 Ų51.429%0.28726%0.258SS..Hα-helixtrans-61.3-49.6-173.3-62.4173.2000111.7L319 V324 V325 I326L319-I322 HydrophobicContact CD2-CD1 3.57Å; L319-I322 PolarHBondContact O-N 3.25Å; I322-V324 PolarHBondContact O-N 3.42Å; I322-V325 PolarHBondContact O-N 3.23Å; I322-I326 HydrophobicContact CG2-CD1 3.53Å; I322-I326 HydrophobicContact CG2-CG1 4.26Å; I322-I326 WeakPolarHBondContact O-CG1 3.5Å; I322-I326 PolarHBondContact O-N 3.01Å
323P92.1Very high87.5Confident35 Ų3552.7 Ų52.723%0.22726%0.261CS..Hα-helixtrans-64.6-29.7179.2-2134000113.1L20 L319 G327L20-P323 HydrophobicContact CD1-CG 3.93Å; L20-P323 HydrophobicContact CG-CG 4.39Å; L319-P323 WeakPolarHBondContact O-CD 3.34Å; P323-G327 PolarHBondContact O-N 2.97Å
324V92.6Very high88.6Confident1 Ų151.9 Ų51.91%0.00625%0.25CC..Hα-helixtrans-64.1-51.9177.4-1750000109.5A23 F30 Y303 W321 I322 S328A23-V324 HydrophobicContact CB-CG2 4.17Å; A23-V324 WeakPolarHBondContact O-CG2 3.46Å; F30-V324 HydrophobicContact CD2-CG1 4.31Å; F30-V324 HydrophobicContact CE2-CG1 3.43Å; F30-V324 VanDerWaalsContact CE2-CG1 3.43Å; F30-V324 HydrophobicContact CZ-CG1 3.96Å; Y303-V324 HydrophobicContact CE1-CG1 4.2Å; W321-V324 WeakPolarHBondContact O-CB 3.35Å; W321-V324 PolarHBondContact O-N 2.93Å; I322-V324 PolarHBondContact O-N 3.42Å; V324-S328 WeakPolarHBondContact O-CB 3.47Å; V324-S328 PolarHBondContact O-N 3.22Å; V324-S328 PolarHBondContact O-OG 3.02Å
325V93.2Very high89.7Confident7 Ų743.4 Ų43.44%0.04222%0.217CC..Hα-helixtrans-67.4-43.7-177.41760000111.8T66 W321 I322 S328 A329T66-V325 HydrophobicContact CG2-CG2 4.1Å; T66-V325 WeakPolarHBondContact OG1-CG2 3.27Å; W321-V325 HydrophobicContact CE3-CB 4.49Å; W321-V325 HydrophobicContact CE3-CG2 3.88Å; W321-V325 HydrophobicContact CZ3-CG2 4.35Å; W321-V325 PolarHBondContact O-N 3.03Å; W321-V325 VanDerWaalsContact O-N 3.13Å; I322-V325 PolarHBondContact O-N 3.23Å; V325-S328 PolarHBondContact O-N 2.93Å; V325-S328 PolarHBondContact O-OG 3.42Å; V325-S328 VanDerWaalsContact O-OG 3.09Å; V325-A329 WeakPolarHBondContact O-CB 3.36Å; V325-A329 PolarHBondContact O-N 3.09Å
326I93.3Very high90.4Very high96 Ų9635 Ų3549%0.49218%0.181SC..Hα-helixtrans-66.4-46.3178.7-64.8175.3000110.4I322 S328 A329 L330I322-I326 HydrophobicContact CG2-CD1 3.53Å; I322-I326 HydrophobicContact CG2-CG1 4.26Å; I322-I326 WeakPolarHBondContact O-CG1 3.5Å; I322-I326 PolarHBondContact O-N 3.01Å; I326-S328 VanDerWaalsContact C-N 3.32Å; I326-S328 PolarHBondContact O-N 3.35Å; I326-A329 PolarHBondContact O-N 2.99Å; I326-L330 HydrophobicContact CG2-CD1 4.12Å; I326-L330 WeakPolarHBondContact O-CG 3.44Å; I326-L330 PolarHBondContact O-N 2.88Å
327G93.3Very high91.2Very high15 Ų1535 Ų3516%0.15518%0.182CC..Hα-helixtrans-62-40.9178.600000112P323 A329 L330 L331P323-G327 PolarHBondContact O-N 2.97Å; G327-A329 VanDerWaalsContact C-N 3.34Å; G327-L330 PolarHBondContact O-N 2.93Å; G327-L331 WeakPolarHBondContact O-CB 3.46Å; G327-L331 WeakPolarHBondContact O-CG 3.18Å; G327-L331 PolarHBondContact O-N 3.41Å
328S93.4Very high92Very high1 Ų131.6 Ų31.61%0.00717%0.169CC..Hα-helixtrans-71.6-30.8-178.776.70000111.9Y296 V324 V325 I326 G332Y296-S328 VanDerWaalsContact CE1-CB 3.43Å; Y296-S328 WeakPolarHBondContact CE1-O 3.31Å; Y296-S328 WeakPolarHBondContact CE1-OG 3.27Å; Y296-S328 PolarHBondContact OH-O 3.38Å; V324-S328 WeakPolarHBondContact O-CB 3.47Å; V324-S328 PolarHBondContact O-N 3.22Å; V324-S328 PolarHBondContact O-OG 3.02Å; V325-S328 PolarHBondContact O-N 2.93Å; V325-S328 PolarHBondContact O-OG 3.42Å; V325-S328 VanDerWaalsContact O-OG 3.09Å; I326-S328 VanDerWaalsContact C-N 3.32Å; I326-S328 PolarHBondContact O-N 3.35Å; S328-G332 PolarHBondContact O-N 3.49Å
329A93.6Very high92.7Very high20 Ų2029.1 Ų29.117%0.16516%0.158CC..Hα-helixtrans-65.4-49.2170.300000111.3F54 H58 V325 I326 G327 G332F54-A329 HydrophobicContact CZ-CB 4.35Å; F54-A329 WeakPolarHBondContact CZ-O 3.13Å; H58-A329 VanDerWaalsContact CD2-CB 3.43Å; H58-A329 WeakPolarHBondContact CD2-CB 3.43Å; V325-A329 WeakPolarHBondContact O-CB 3.36Å; V325-A329 PolarHBondContact O-N 3.09Å; I326-A329 PolarHBondContact O-N 2.99Å; G327-A329 VanDerWaalsContact C-N 3.34Å; A329-G332 PolarHBondContact O-N 3.04Å
330L93.6Very high93.1Very high128 Ų12824.5 Ų24.567%0.6713%0.133SC*.Hα-helixtrans-63.4-46.1-179.5-68.5173.1000112I326 G327 G332I326-L330 HydrophobicContact CG2-CD1 4.12Å; I326-L330 WeakPolarHBondContact O-CG 3.44Å; I326-L330 PolarHBondContact O-N 2.88Å; G327-L330 PolarHBondContact O-N 2.93Å; L330-G332 VanDerWaalsContact C-N 3.33Å; L330-G332 PolarHBondContact O-N 3.37Å
331L95.4Very high93.6Very high19 Ų1925.2 Ų25.210%0.09914%0.136CC..Hα-helixtrans-71.1-27.9179.6-67.7176.6000112.9V31 I230 G327 Q333 L334 P335V31-L331 HydrophobicContact CG2-CB 3.86Å; I230-L331 HydrophobicContact CD1-CD1 3.82Å; I230-L331 HydrophobicContact CD1-CD2 3.97Å; I230-L331 HydrophobicContact CG1-CD1 4.16Å; I230-L331 HydrophobicContact CG1-CD2 3.77Å; I230-L331 HydrophobicContact CG2-CD2 4.02Å; G327-L331 WeakPolarHBondContact O-CB 3.46Å; G327-L331 WeakPolarHBondContact O-CG 3.18Å; G327-L331 PolarHBondContact O-N 3.41Å; L331-Q333 PolarHBondContact O-N 3.02Å; L331-L334 HydrophobicContact CD2-CD1 4.5Å; L331-L334 VanDerWaalsContact O-CB 3.27Å; L331-L334 WeakPolarHBondContact O-CB 3.04Å; L331-L334 PolarHBondContact O-N 3.01Å; L331-L334 VanDerWaalsContact O-N 3.07Å; L331-P335 WeakPolarHBondContact O-CD 3.32Å
332G93Very high93.8Very high1 Ų123.5 Ų23.51%0.0113%0.129CC..Hα-helixtrans-63-23.6178.300000114.2S328 A329 L330S328-G332 PolarHBondContact O-N 3.49Å; A329-G332 PolarHBondContact O-N 3.04Å; L330-G332 VanDerWaalsContact C-N 3.33Å; L330-G332 PolarHBondContact O-N 3.37Å
333Q93Very high93.7Very high36 Ų3620.9 Ų20.917%0.16812%0.116CC..Hα-helixtrans-82.3-14.5175.9-66.6-63.2-27.600113.3Y39 F54 L331 V336 L337Y39-Q333 PolarHBondContact OH-NE2 2.97Å; F54-Q333 HydrophobicContact CE1-CG 4.12Å; F54-Q333 VanDerWaalsContact CE2-NE2 3.27Å; F54-Q333 VanDerWaalsContact CG-NE2 3.35Å; F54-Q333 HydrophobicContact CZ-CG 3.91Å; L331-Q333 PolarHBondContact O-N 3.02Å; Q333-V336 PolarHBondContact O-N 3.38Å; Q333-L337 WeakPolarHBondContact O-CG 3.49Å; Q333-L337 PolarHBondContact O-N 3.22Å
334L95Very high93.7Very high16 Ų1619.2 Ų19.28%0.08411%0.105CC..Hα-helixtrans-63.7-52.5-174.9-165.1167.1000111.8L233 L331 V336 L337 I338L233-L334 HydrophobicContact CB-CD1 4.31Å; L233-L334 HydrophobicContact CB-CD2 3.46Å; L233-L334 VanDerWaalsContact CB-CD2 3.46Å; L233-L334 HydrophobicContact CD1-CD2 4.1Å; L233-L334 HydrophobicContact CG-CD2 4.45Å; L331-L334 HydrophobicContact CD2-CD1 4.5Å; L331-L334 VanDerWaalsContact O-CB 3.27Å; L331-L334 WeakPolarHBondContact O-CB 3.04Å; L331-L334 PolarHBondContact O-N 3.01Å; L331-L334 VanDerWaalsContact O-N 3.07Å; L334-V336 VanDerWaalsContact C-N 3.28Å; L334-V336 PolarHBondContact O-N 3.37Å; L334-L337 PolarHBondContact O-N 3.17Å; L334-I338 HydrophobicContact CD2-CD1 3.42Å; L334-I338 VanDerWaalsContact CD2-CD1 3.42Å; L334-I338 HydrophobicContact CD2-CG1 4.05Å; L334-I338 WeakPolarHBondContact O-CG1 3.5Å; L334-I338 PolarHBondContact O-N 3.48Å; L334-I338 VanDerWaalsContact O-N 3.09Å
335P95.6Very high93.6Very high0 Ų019.1 Ų19.10%011%0.105CC..Hα-helixtrans-59.8-38178.6-2637.4000113.4V31 M35 F36 L331 I338 M339V31-P335 HydrophobicContact CG1-CG 3.69Å; M35-P335 HydrophobicContact CB-CG 4.3Å; M35-P335 WeakPolarHBondContact O-CB 3.22Å; F36-P335 HydrophobicContact CB-CB 4.48Å; F36-P335 HydrophobicContact CD1-CB 3.62Å; F36-P335 HydrophobicContact CD1-CG 4.12Å; F36-P335 HydrophobicContact CD2-CB 4.29Å; F36-P335 HydrophobicContact CD2-CG 4.16Å; F36-P335 HydrophobicContact CE1-CB 3.77Å; F36-P335 HydrophobicContact CE1-CG 3.86Å; F36-P335 HydrophobicContact CE2-CB 4.44Å; F36-P335 HydrophobicContact CE2-CG 3.93Å; F36-P335 HydrophobicContact CG-CB 3.88Å; F36-P335 HydrophobicContact CG-CG 4.24Å; F36-P335 HydrophobicContact CZ-CB 4.18Å; F36-P335 HydrophobicContact CZ-CG 3.75Å; L331-P335 WeakPolarHBondContact O-CD 3.32Å; P335-I338 WeakPolarHBondContact O-CB 3.43Å; P335-I338 PolarHBondContact O-N 3.22Å; P335-M339 WeakPolarHBondContact O-CG 3.42Å; P335-M339 PolarHBondContact O-N 3.23Å
336V94Very high93.2Very high0 Ų019.3 Ų19.30%011%0.106CC..Hα-helixtrans-62.2-49.9178.1172.10000111.6Y39 P40 Q43 Q333 L334 I338 M339 L340Y39-V336 HydrophobicContact CD1-CG2 3.17Å; Y39-V336 HydrophobicContact CE1-CG2 3.34Å; Y39-V336 HydrophobicContact CG-CG2 4.05Å; P40-V336 HydrophobicContact CG-CG2 4.23Å; Q43-V336 HydrophobicContact CG-CG1 4.4Å; Q333-V336 PolarHBondContact O-N 3.38Å; L334-V336 VanDerWaalsContact C-N 3.28Å; L334-V336 PolarHBondContact O-N 3.37Å; V336-I338 VanDerWaalsContact C-N 3.26Å; V336-I338 PolarHBondContact O-N 2.95Å; V336-M339 CarbonylContact O-C 3.58Å; V336-M339 PolarHBondContact O-N 3.39Å; V336-M339 VanDerWaalsContact O-N 3.13Å; V336-L340 WeakPolarHBondContact O-CB 3.38Å; V336-L340 PolarHBondContact O-N 3.08Å
337L94.8Very high92.8Very high44 Ų4414.8 Ų14.823%0.238%0.083CC..Hα-helixtrans-63.4-37.6-180-69.8171.2000111L237 Y259 Q333 L334 L340 Y341L237-L337 HydrophobicContact CD1-CB 3.58Å; L237-L337 HydrophobicContact CD2-CB 4.33Å; L237-L337 HydrophobicContact CD2-CD1 4.37Å; Y259-L337 HydrophobicContact CE2-CD2 4.48Å; Y259-L337 WeakPolarHBondContact OH-CD2 3.2Å; Q333-L337 WeakPolarHBondContact O-CG 3.49Å; Q333-L337 PolarHBondContact O-N 3.22Å; L334-L337 PolarHBondContact O-N 3.17Å; L337-L340 PolarHBondContact O-N 3.03Å; L337-Y341 HydrophobicContact CB-CE2 4.26Å; L337-Y341 WeakPolarHBondContact O-CD2 3.01Å; L337-Y341 PolarHBondContact O-N 3.27Å
338I96Very high92.2Very high1 Ų117 Ų171%0.0059%0.091CC..Hα-helixtrans-57.7-51.6172.3-71-179.5000109.7L233 V236 L237 I240 L334 P335 V336 L340 Y341 A342 M367 Y384L233-I338 HydrophobicContact CB-CD1 4.12Å; L233-I338 HydrophobicContact CD2-CD1 4.37Å; V236-I338 HydrophobicContact CG1-CD1 4.48Å; L237-I338 HydrophobicContact CB-CD1 4.46Å; L237-I338 HydrophobicContact CB-CG1 3.91Å; L237-I338 HydrophobicContact CD1-CB 4.4Å; L237-I338 HydrophobicContact CD1-CG1 3.66Å; L237-I338 HydrophobicContact CG-CG1 4.38Å; I240-I338 HydrophobicContact CD1-CG2 4.46Å; L334-I338 HydrophobicContact CD2-CD1 3.42Å; L334-I338 VanDerWaalsContact CD2-CD1 3.42Å; L334-I338 HydrophobicContact CD2-CG1 4.05Å; L334-I338 WeakPolarHBondContact O-CG1 3.5Å; L334-I338 PolarHBondContact O-N 3.48Å; L334-I338 VanDerWaalsContact O-N 3.09Å; P335-I338 WeakPolarHBondContact O-CB 3.43Å; P335-I338 PolarHBondContact O-N 3.22Å; V336-I338 VanDerWaalsContact C-N 3.26Å; V336-I338 PolarHBondContact O-N 2.95Å; I338-L340 PolarHBondContact O-N 3.35Å; I338-Y341 PolarHBondContact O-N 3.16Å; I338-A342 WeakPolarHBondContact O-CB 3.48Å; I338-A342 PolarHBondContact O-N 3.2Å; I338-M367 HydrophobicContact CG2-CE 3.2Å; I338-Y384 HydrophobicContact CG2-CE2 4.19Å
339M94.1Very high91.4Very high1 Ų117.8 Ų17.81%0.00510%0.097CC..Hα-helixtrans-65.3-35.4-179.3-70.4-60.7-70.700113.3P40 P335 V336 A342 T343 A362 P363 I366P40-M339 HydrophobicContact CB-CB 3.88Å; P40-M339 HydrophobicContact CB-CG 4.17Å; P40-M339 HydrophobicContact CG-CB 4.01Å; P40-M339 HydrophobicContact CG-CG 3.87Å; P335-M339 WeakPolarHBondContact O-CG 3.42Å; P335-M339 PolarHBondContact O-N 3.23Å; V336-M339 CarbonylContact O-C 3.58Å; V336-M339 PolarHBondContact O-N 3.39Å; V336-M339 VanDerWaalsContact O-N 3.13Å; M339-A342 WeakPolarHBondContact O-CB 3.36Å; M339-T343 WeakPolarHBondContact O-CB 2.97Å; M339-T343 VanDerWaalsContact O-CG2 3.26Å; M339-T343 WeakPolarHBondContact O-CG2 2.94Å; M339-T343 PolarHBondContact O-N 3.11Å; M339-T343 PolarHBondContact O-OG1 2.87Å; M339-A362 HydrophobicContact CE-CB 4.4Å; M339-P363 HydrophobicContact SD-CB 4.49Å; M339-I366 HydrophobicContact CE-CB 3.97Å; M339-I366 HydrophobicContact CE-CD1 3.43Å; M339-I366 VanDerWaalsContact CE-CD1 3.43Å; M339-I366 HydrophobicContact CE-CG1 4.25Å; M339-I366 HydrophobicContact CE-CG2 4.04Å; M339-I366 HydrophobicContact SD-CG2 4.43Å
340L93.6Very high90.5Very high0 Ų021.9 Ų21.90%011%0.112CC..Hα-helixtrans-63.7-52.7174.3169.6129.6000111.2Y255 F258 Y259 V336 L337 I338 A342 T343 A344Y255-L340 HydrophobicContact CD1-CD1 4.18Å; Y255-L340 HydrophobicContact CD1-CD2 4.04Å; Y255-L340 HydrophobicContact CE1-CD2 3.68Å; F258-L340 HydrophobicContact CB-CD1 3.5Å; F258-L340 VanDerWaalsContact CB-CD1 3.5Å; F258-L340 HydrophobicContact CD1-CB 4.39Å; F258-L340 HydrophobicContact CD1-CD1 3.97Å; F258-L340 HydrophobicContact CD2-CD1 3.66Å; F258-L340 HydrophobicContact CD2-CG 4.47Å; F258-L340 HydrophobicContact CE1-CB 4.33Å; F258-L340 HydrophobicContact CE2-CD1 4.31Å; F258-L340 HydrophobicContact CG-CD1 3.44Å; F258-L340 VanDerWaalsContact CG-CD1 3.44Å; F258-L340 HydrophobicContact CG-CG 4.5Å; F258-L340 HydrophobicContact CZ-CB 4.41Å; Y259-L340 HydrophobicContact CD2-CD1 4.39Å; Y259-L340 HydrophobicContact CE2-CD1 3.94Å; V336-L340 WeakPolarHBondContact O-CB 3.38Å; V336-L340 PolarHBondContact O-N 3.08Å; L337-L340 PolarHBondContact O-N 3.03Å; I338-L340 PolarHBondContact O-N 3.35Å; L340-A342 VanDerWaalsContact C-N 3.26Å; L340-A342 PolarHBondContact O-N 3.38Å; L340-T343 PolarHBondContact O-N 3.1Å; L340-T343 PolarHBondContact O-OG1 3.36Å; L340-A344 VanDerWaalsContact O-CB 3.25Å; L340-A344 WeakPolarHBondContact O-CB 3.42Å; L340-A344 PolarHBondContact O-N 3.03Å
341Y94.8Very high89.6Confident16 Ų1618.1 Ų18.16%0.0639%0.09CC..Hα-helixtrans-66-34.5179.4-66.9-49.4000112.4L237 R241 A245 L251 Y255 L337 I338 S345L237-Y341 HydrophobicContact CD1-CD2 3.55Å; L237-Y341 HydrophobicContact CD1-CE2 3.68Å; L237-Y341 HydrophobicContact CG-CE2 4.44Å; R241-Y341 HydrophobicContact CB-CD2 4.03Å; R241-Y341 HydrophobicContact CB-CE1 4.48Å; R241-Y341 HydrophobicContact CB-CE2 3.94Å; R241-Y341 HydrophobicContact CB-CG 4.38Å; R241-Y341 WeakPolarHBondContact CD-OH 3.39Å; R241-Y341 HydrophobicContact CG-CD1 4.49Å; R241-Y341 HydrophobicContact CG-CD2 4.48Å; R241-Y341 HydrophobicContact CG-CE1 3.99Å; R241-Y341 HydrophobicContact CG-CE2 4.01Å; R241-Y341 PolarHBondContact NE-OH 2.96Å; A245-Y341 HydrophobicContact CB-CD1 3.63Å; A245-Y341 HydrophobicContact CB-CE1 4.43Å; A245-Y341 HydrophobicContact CB-CG 4.13Å; L251-Y341 HydrophobicContact CD1-CD1 3.81Å; L251-Y341 HydrophobicContact CD1-CE1 4.04Å; Y255-Y341 HydrophobicContact CE1-CE1 4.4Å; Y255-Y341 AromaticContact CZ-CE1 3.83Å; Y255-Y341 WeakPolarHBondContact OH-CE1 3.49Å; Y255-Y341 PolarHBondContact OH-OH 2.63Å; L337-Y341 HydrophobicContact CB-CE2 4.26Å; L337-Y341 WeakPolarHBondContact O-CD2 3.01Å; L337-Y341 PolarHBondContact O-N 3.27Å; I338-Y341 PolarHBondContact O-N 3.16Å; Y341-S345 PolarHBondContact O-N 3.33Å
342A93.1Very high88.9Confident0 Ų017.2 Ų17.20%09%0.085CC..Hα-helixtrans-59.6-58.4174.900000111.3I338 M339 L340 A344 S345 I366 M367 I370I338-A342 WeakPolarHBondContact O-CB 3.48Å; I338-A342 PolarHBondContact O-N 3.2Å; M339-A342 WeakPolarHBondContact O-CB 3.36Å; L340-A342 VanDerWaalsContact C-N 3.26Å; L340-A342 PolarHBondContact O-N 3.38Å; A342-A344 VanDerWaalsContact C-N 3.35Å; A342-A344 PolarHBondContact O-N 3.3Å; A342-S345 WeakPolarHBondContact O-CB 3.27Å; A342-S345 PolarHBondContact O-N 3.43Å; A342-S345 VanDerWaalsContact O-N 3.14Å; A342-S345 PolarHBondContact O-OG 3.44Å; A342-I366 HydrophobicContact CB-CG2 3.99Å; A342-M367 HydrophobicContact CB-CE 3.79Å; A342-I370 VanDerWaalsContact C-CD1 3.41Å; A342-I370 HydrophobicContact CB-CD1 3.08Å; A342-I370 VanDerWaalsContact O-CD1 3.29Å; A342-I370 WeakPolarHBondContact O-CD1 3.49Å
343T91Very high88.3Confident1 Ų117.3 Ų17.31%0.0069%0.085CC..Hα-helixtrans-63.7-40.1-177.851.60000112.3Y254 M339 L340 S345 S346 Y347 V352 L356 I366Y254-T343 PolarHBondContact OH-O 3.04Å; M339-T343 WeakPolarHBondContact O-CB 2.97Å; M339-T343 VanDerWaalsContact O-CG2 3.26Å; M339-T343 WeakPolarHBondContact O-CG2 2.94Å; M339-T343 PolarHBondContact O-N 3.11Å; M339-T343 PolarHBondContact O-OG1 2.87Å; L340-T343 PolarHBondContact O-N 3.1Å; L340-T343 PolarHBondContact O-OG1 3.36Å; T343-S345 PolarHBondContact O-N 3.04Å; T343-S345 VanDerWaalsContact O-N 3.16Å; T343-S346 PolarHBondContact O-N 3.27Å; T343-Y347 HydrophobicContact CG2-CD2 4.48Å; T343-Y347 PolarHBondContact O-N 3.44Å; T343-V352 HydrophobicContact CG2-CG1 4.48Å; T343-L356 HydrophobicContact CG2-CD1 3.95Å; T343-I366 HydrophobicContact CG2-CD1 4.02Å; T343-I366 HydrophobicContact CG2-CG2 3.91Å
344A90.8Very high87.6Confident0 Ų016 Ų160%08%0.08CC..Hα-helixtrans-58.4-27.7175.800000114.1T248 L251 Y254 L340 A342T248-A344 PolarHBondContact OG1-O 2.86Å; L251-A344 HydrophobicContact CD1-CB 3.97Å; Y254-A344 HydrophobicContact CD1-CB 4.31Å; Y254-A344 HydrophobicContact CD2-CB 3.71Å; Y254-A344 HydrophobicContact CE2-CB 4.18Å; Y254-A344 HydrophobicContact CG-CB 3.75Å; L340-A344 VanDerWaalsContact O-CB 3.25Å; L340-A344 WeakPolarHBondContact O-CB 3.42Å; L340-A344 PolarHBondContact O-N 3.03Å; A342-A344 VanDerWaalsContact C-N 3.35Å; A342-A344 PolarHBondContact O-N 3.3Å
345S89.9Confident87Confident0 Ų015.5 Ų15.50%08%0.077CC..Hα-helixtrans-80.3-19.1-176.776.50000114.8Y244 S247 T248 Y341 A342 T343 K373Y244-S345 VanDerWaalsContact O-CB 3.22Å; Y244-S345 WeakPolarHBondContact O-CB 3.23Å; S247-S345 PolarHBondContact OG-O 2.84Å; S247-S345 VanDerWaalsContact OG-O 3.09Å; T248-S345 WeakPolarHBondContact CG2-O 3.37Å; Y341-S345 PolarHBondContact O-N 3.33Å; A342-S345 WeakPolarHBondContact O-CB 3.27Å; A342-S345 PolarHBondContact O-N 3.43Å; A342-S345 VanDerWaalsContact O-N 3.14Å; A342-S345 PolarHBondContact O-OG 3.44Å; T343-S345 PolarHBondContact O-N 3.04Å; T343-S345 VanDerWaalsContact O-N 3.16Å; S345-K373 PolarHBondContact O-NZ 3.31Å
346S85Confident86.4Confident10 Ų1015.6 Ų15.67%0.078%0.077CC..Hα-helixtrans-142.4-23.8-169.160.80000116.7T343 H369T343-S346 PolarHBondContact O-N 3.27Å; S346-H369 PolarHBondContact OG-CD2 2.95Å
347Y85Confident85.8Confident2 Ų215.6 Ų15.61%0.0088%0.077CC..  trans-103.8149-176.3-63.8-94.7000110V158 Q250 Y254 T343 V352 H355 I366 H369V158-Y347 HydrophobicContact CG1-CD1 3.54Å; V158-Y347 HydrophobicContact CG1-CE1 3.37Å; Q250-Y347 PolarHBondContact OE1-O 3.09Å; Y254-Y347 PolarHBondContact OH-O 3.46Å; T343-Y347 HydrophobicContact CG2-CD2 4.48Å; T343-Y347 PolarHBondContact O-N 3.44Å; Y347-V352 HydrophobicContact CG-CG2 4.35Å; Y347-H355 HydrophobicContact CD1-CB 4.46Å; Y347-H355 AromaticContact CD1-CD2 3.48Å; Y347-H355 VanDerWaalsContact CD1-CD2 3.48Å; Y347-H355 WeakPolarHBondContact CD1-CD2 3.4Å; Y347-H355 HydrophobicContact CE1-CB 4Å; Y347-H355 AromaticContact CE1-CD2 3.32Å; Y347-H355 WeakPolarHBondContact CE1-CD2 3.07Å; Y347-H355 AromaticContact CE1-CG 3.52Å; Y347-H355 AromaticContact CE1-NE2 3.72Å; Y347-I366 HydrophobicContact CE2-CG1 4.25Å; Y347-I366 HydrophobicContact CE2-CG2 4.1Å; Y347-H369 AromaticContact CE2-CD2 3.85Å; Y347-H369 AromaticContact CZ-CD2 3.84Å
348D82Confident85Confident60 Ų6013.8 Ų13.832%0.3217%0.068SC..  trans-85.1139.9168.3-71.7-49.8000109.8H159 Q250 Q350 Y351 V352H159-D348 IonicContact CD2-OD2 3.1Å; H159-D348 IonicContact CE1-OD2 3.96Å; H159-D348 WeakPolarHBondContact NE2-CB 3.42Å; H159-D348 IonicContact NE2-OD2 2.71Å; H159-D348 PolarHBondContact NE2-OD2 2.93Å; Q250-D348 PolarHBondContact NE2-OD1 3.45Å; D348-Q350 PolarHBondContact O-N 3.09Å; D348-Y351 HydrophobicContact CB-CD2 4.33Å; D348-Y351 PolarHBondContact O-N 3.49Å; D348-V352 WeakPolarHBondContact O-CG2 3.33Å; D348-V352 PolarHBondContact O-N 3.13Å
349P76.6Confident84.2Confident19 Ų1914.8 Ų14.812%0.1237%0.073CC..THydrogen-bonded Turntrans-71.46.3-170.637.4-43.2000113.3Y44 Y254 K257Y44-P349 PolarHBondContact OH-O 3.01Å; Y254-P349 HydrophobicContact CE2-CB 4.02Å; K257-P349 HydrophobicContact CD-CB 3.94Å; K257-P349 VanDerWaalsContact NZ-CB 3.34Å; K257-P349 PolarHBondContact NZ-O 3.17Å
350Q73.7Confident84Confident106 Ų10615 Ų1550%0.4957%0.074SC..THydrogen-bonded Turntrans-90.3-26.7170.4-67.8-179.1-10.900112.9D274 D348D274-Q350 VanDerWaalsContact OD2-O 3.11Å; D348-Q350 PolarHBondContact O-N 3.09Å
351Y75.3Confident83.9Confident49 Ų4915.1 Ų15.119%0.1928%0.075CC..THydrogen-bonded Turntrans-119.5-12.8-171.9-58.4-85.8000113.4H159 V273 D348 R353 C354H159-Y351 HydrophobicContact CB-CD1 3.75Å; H159-Y351 HydrophobicContact CB-CD2 3.9Å; H159-Y351 HydrophobicContact CB-CE1 3.88Å; H159-Y351 HydrophobicContact CB-CE2 4.03Å; H159-Y351 HydrophobicContact CB-CG 3.75Å; H159-Y351 AromaticContact CD2-CD2 3.38Å; H159-Y351 WeakPolarHBondContact CD2-CD2 3Å; H159-Y351 AromaticContact CD2-CE2 3.5Å; H159-Y351 VanDerWaalsContact CD2-CE2 3.5Å; H159-Y351 WeakPolarHBondContact CD2-CE2 3.24Å; H159-Y351 AromaticContact CE1-CD2 3.34Å; H159-Y351 WeakPolarHBondContact CE1-CD2 3.48Å; H159-Y351 AromaticContact CE1-CG 3.74Å; H159-Y351 AromaticContact CG-CD1 3.92Å; H159-Y351 AromaticContact CG-CD2 3.17Å; H159-Y351 AromaticContact CG-CE2 3.56Å; H159-Y351 AromaticContact CG-CG 3.36Å; H159-Y351 WeakPolarHBondContact ND1-CB 3.49Å; H159-Y351 AromaticContact ND1-CD2 3.19Å; H159-Y351 WeakPolarHBondContact ND1-CD2 3.42Å; H159-Y351 AromaticContact ND1-CG 3.17Å; H159-Y351 AromaticContact NE2-CD2 3.46Å; H159-Y351 WeakPolarHBondContact NE2-CD2 3Å; H159-Y351 AromaticContact NE2-CE2 3.92Å; V273-Y351 HydrophobicContact CG1-CE1 4.36Å; D348-Y351 HydrophobicContact CB-CD2 4.33Å; D348-Y351 PolarHBondContact O-N 3.49Å; Y351-R353 PolarHBondContact O-N 3.43Å; Y351-C354 PolarHBondContact O-N 3.31Å
352V80.7Confident83.8Confident0 Ų014.3 Ų14.30%07%0.072CC..Hα-helixtrans-44.7-39173.1167.50000113.3Y44 Y254 T343 Y347 D348 C354 H355 L356Y44-V352 HydrophobicContact CD2-CG1 4.12Å; Y44-V352 HydrophobicContact CE1-CG1 4.32Å; Y44-V352 HydrophobicContact CE2-CB 4.27Å; Y44-V352 HydrophobicContact CE2-CG1 3.69Å; Y254-V352 HydrophobicContact CE1-CG1 4.25Å; Y254-V352 HydrophobicContact CE1-CG2 3.85Å; Y254-V352 WeakPolarHBondContact OH-CG2 3.32Å; T343-V352 HydrophobicContact CG2-CG1 4.48Å; Y347-V352 HydrophobicContact CG-CG2 4.35Å; D348-V352 WeakPolarHBondContact O-CG2 3.33Å; D348-V352 PolarHBondContact O-N 3.13Å; V352-C354 PolarHBondContact O-N 3.16Å; V352-H355 PolarHBondContact O-N 2.92Å; V352-L356 HydrophobicContact CB-CD1 4.32Å; V352-L356 HydrophobicContact CG1-CD1 3.12Å; V352-L356 WeakPolarHBondContact O-CD1 3.29Å; V352-L356 PolarHBondContact O-N 2.62Å
353R79.4Confident83.9Confident3 Ų314.3 Ų14.31%0.0117%0.072CC..Hα-helixtrans-51.3-44.7-179.5-169.6-176.271.8-167.85.6111.4Y44 L45 D274 Y351 H355 L356 S357Y44-R353 HydrophobicContact CE1-CB 3.89Å; Y44-R353 HydrophobicContact CE1-CG 4.35Å; L45-R353 HydrophobicContact CD2-CG 4.05Å; D274-R353 PolarHBondContact O-NH1 2.77Å; D274-R353 IonicContact OD1-CZ 3.64Å; D274-R353 VanDerWaalsContact OD1-CZ 3.27Å; D274-R353 IonicContact OD1-NE 3.47Å; D274-R353 IonicContact OD1-NH1 3.51Å; D274-R353 IonicContact OD1-NH2 3.21Å; D274-R353 PolarHBondContact OD1-NH2 3.03Å; D274-R353 IonicContact OD2-CZ 2.73Å; D274-R353 IonicContact OD2-NE 2.71Å; D274-R353 PolarHBondContact OD2-NE 2.99Å; D274-R353 IonicContact OD2-NH1 3.27Å; D274-R353 PolarHBondContact OD2-NH1 3.35Å; D274-R353 IonicContact OD2-NH2 3.72Å; Y351-R353 PolarHBondContact O-N 3.43Å; R353-H355 VanDerWaalsContact C-N 3.29Å; R353-H355 PolarHBondContact O-N 3.15Å; R353-L356 PolarHBondContact O-N 3.1Å; R353-S357 VanDerWaalsContact O-CB 3.24Å; R353-S357 WeakPolarHBondContact O-CB 3.39Å; R353-S357 PolarHBondContact O-N 3.43Å; R353-S357 PolarHBondContact O-OG 3.3Å; R353-S357 VanDerWaalsContact O-OG 3.12Å
354C78.8Confident84.1Confident9 Ų914.3 Ų14.36%0.0617%0.071CC..Hα-helixtrans-68.2-27.4-176.3-76.90000114Y351 V352 S357 V358 C527 T529Y351-C354 PolarHBondContact O-N 3.31Å; V352-C354 PolarHBondContact O-N 3.16Å; C354-S357 WeakPolarHBondContact CA-OG 3.18Å; C354-S357 PolarHBondContact O-OG 3.45Å; C354-S357 VanDerWaalsContact O-OG 3.07Å; C354-V358 WeakPolarHBondContact O-CG2 3.27Å; C354-C527 WeakPolarHBondContact CA-SG 3.19Å; C354-C527 HydrophobicContact CB-CB 3.52Å; C354-C527 WeakPolarHBondContact CB-SG 3.35Å; C354-C527 WeakPolarHBondContact SG-CA 3.49Å; C354-C527 WeakPolarHBondContact SG-CB 3.26Å; C354-C527 CovalentContact SG-SG 2.04Å; C354-C527 PolarHBondContact SG-SG 3.45Å; C354-T529 HydrophobicContact CB-CG2 4.19Å
355H81.9Confident84.1Confident5 Ų514.3 Ų14.32%0.0237%0.071CC..Hα-helixtrans-86.9-28175.6-63.6-73.3000112.7V158 E166 Y347 V352 R353 V358 I366V158-H355 WeakPolarHBondContact CG1-NE2 3.19Å; E166-H355 IonicContact OE1-CE1 3.72Å; E166-H355 IonicContact OE1-ND1 3.43Å; E166-H355 PolarHBondContact OE1-ND1 2.89Å; Y347-H355 HydrophobicContact CD1-CB 4.46Å; Y347-H355 AromaticContact CD1-CD2 3.48Å; Y347-H355 VanDerWaalsContact CD1-CD2 3.48Å; Y347-H355 WeakPolarHBondContact CD1-CD2 3.4Å; Y347-H355 HydrophobicContact CE1-CB 4Å; Y347-H355 AromaticContact CE1-CD2 3.32Å; Y347-H355 WeakPolarHBondContact CE1-CD2 3.07Å; Y347-H355 AromaticContact CE1-CG 3.52Å; Y347-H355 AromaticContact CE1-NE2 3.72Å; V352-H355 PolarHBondContact O-N 2.92Å; R353-H355 VanDerWaalsContact C-N 3.29Å; R353-H355 PolarHBondContact O-N 3.15Å; H355-V358 WeakPolarHBondContact O-CG2 3.3Å; H355-I366 HydrophobicContact CB-CD1 4.36Å; H355-I366 HydrophobicContact CB-CG1 4.41Å
356L84.5Confident84.3Confident1 Ų114.3 Ų14.31%0.0057%0.071CC..Hα-helixtrans-78.7-28.4169.9-78.492.9000113P40 L41 F258 T343 V352 R353 V358 I366P40-L356 HydrophobicContact CB-CD2 4.14Å; L41-L356 HydrophobicContact CB-CB 4.34Å; L41-L356 HydrophobicContact CD1-CB 3.75Å; F258-L356 HydrophobicContact CZ-CD2 4.42Å; T343-L356 HydrophobicContact CG2-CD1 3.95Å; V352-L356 HydrophobicContact CB-CD1 4.32Å; V352-L356 HydrophobicContact CG1-CD1 3.12Å; V352-L356 WeakPolarHBondContact O-CD1 3.29Å; V352-L356 PolarHBondContact O-N 2.62Å; R353-L356 PolarHBondContact O-N 3.1Å; L356-V358 PolarHBondContact O-N 3.19Å; L356-V358 VanDerWaalsContact O-N 3.14Å; L356-I366 HydrophobicContact CD1-CD1 4.19Å; L356-I366 HydrophobicContact CG-CD1 4.1Å
357S80.3Confident84.7Confident0 Ų013.8 Ų13.80%07%0.068CC..SBendtrans-71.1-3.6-178.962.20000113.5R353 C354 D359R353-S357 VanDerWaalsContact O-CB 3.24Å; R353-S357 WeakPolarHBondContact O-CB 3.39Å; R353-S357 PolarHBondContact O-N 3.43Å; R353-S357 PolarHBondContact O-OG 3.3Å; R353-S357 VanDerWaalsContact O-OG 3.12Å; C354-S357 WeakPolarHBondContact CA-OG 3.18Å; C354-S357 PolarHBondContact O-OG 3.45Å; C354-S357 VanDerWaalsContact O-OG 3.07Å; S357-D359 PolarHBondContact O-N 3.4Å
358V77.5Confident85.2Confident7 Ų713.7 Ų13.74%0.0427%0.068CC..SBendtrans-76.429.3176.7-157.20000112C354 H355 L356 W360 L361 I365 S531C354-V358 WeakPolarHBondContact O-CG2 3.27Å; H355-V358 WeakPolarHBondContact O-CG2 3.3Å; L356-V358 PolarHBondContact O-N 3.19Å; L356-V358 VanDerWaalsContact O-N 3.14Å; V358-W360 PolarHBondContact O-N 3.36Å; V358-W360 VanDerWaalsContact O-N 3.1Å; V358-L361 HydrophobicContact CB-CB 4.23Å; V358-L361 HydrophobicContact CG1-CB 3.62Å; V358-L361 HydrophobicContact CG1-CD1 3.47Å; V358-L361 VanDerWaalsContact CG1-CD1 3.47Å; V358-L361 HydrophobicContact CG1-CG 4.07Å; V358-L361 WeakPolarHBondContact O-CB 3.43Å; V358-L361 PolarHBondContact O-N 2.99Å; V358-I365 HydrophobicContact CG1-CD1 4.19Å; V358-S531 WeakPolarHBondContact CG1-OG 3.32Å; V358-S531 VanDerWaalsContact CG2-OG 3.24Å; V358-S531 WeakPolarHBondContact CG2-OG 3.49Å
359D81.1Confident85.6Confident21 Ų2111.4 Ų11.411%0.1126%0.055CC..G310 helixtrans37.3-114.3-179.6-61.2-40.3000112.3S37 S357 L361 A362S37-D359 WeakPolarHBondContact CB-O 3.34Å; S357-D359 PolarHBondContact O-N 3.4Å; D359-L361 VanDerWaalsContact C-N 3.31Å; D359-L361 PolarHBondContact O-N 3.02Å; D359-A362 WeakPolarHBondContact O-CB 3.18Å; D359-A362 PolarHBondContact O-N 2.93Å
360W89.1Confident86.3Confident7 Ų710.5 Ų10.53%0.0275%0.049CC..G310 helixtrans-70.4-16.5-175.163.9-91.2000115.1M33 Y111 F112 I115 I169 L174 V358 F450 I453M33-W360 HydrophobicContact CE-CB 4.32Å; M33-W360 WeakPolarHBondContact CE-O 3.11Å; Y111-W360 AromaticContact CE1-CH2 3.94Å; Y111-W360 HydrophobicContact CE1-CH2 3.94Å; Y111-W360 AromaticContact CE1-CZ3 3.96Å; Y111-W360 HydrophobicContact CE1-CZ3 3.96Å; Y111-W360 WeakPolarHBondContact OH-CH2 3.43Å; F112-W360 HydrophobicContact CD1-CE3 4.09Å; F112-W360 HydrophobicContact CE1-CB 3.64Å; F112-W360 AromaticContact CE1-CD2 3.67Å; F112-W360 HydrophobicContact CE1-CD2 3.67Å; F112-W360 AromaticContact CE1-CE3 3.67Å; F112-W360 HydrophobicContact CE1-CE3 3.67Å; F112-W360 AromaticContact CE1-CG 3.68Å; F112-W360 HydrophobicContact CE1-CG 3.68Å; F112-W360 HydrophobicContact CE1-CZ3 4.47Å; F112-W360 HydrophobicContact CZ-CB 3.61Å; F112-W360 HydrophobicContact CZ-CD2 4.39Å; F112-W360 AromaticContact CZ-CG 3.93Å; F112-W360 HydrophobicContact CZ-CG 3.93Å; I115-W360 HydrophobicContact CD1-CE3 4.47Å; I115-W360 HydrophobicContact CD1-CH2 3.99Å; I115-W360 HydrophobicContact CD1-CZ3 3.47Å; I115-W360 VanDerWaalsContact CD1-CZ3 3.47Å; I169-W360 HydrophobicContact CD1-CZ3 4.46Å; L174-W360 HydrophobicContact CD1-CH2 3.98Å; V358-W360 PolarHBondContact O-N 3.36Å; V358-W360 VanDerWaalsContact O-N 3.1Å; W360-F450 HydrophobicContact CH2-CD2 4.39Å; W360-F450 AromaticContact CZ2-CD2 3.73Å; W360-F450 HydrophobicContact CZ2-CD2 3.73Å; W360-F450 HydrophobicContact CZ2-CE2 4.09Å; W360-I453 HydrophobicContact CD2-CG2 4.37Å; W360-I453 HydrophobicContact CG-CG2 4.35Å; W360-I453 HydrophobicContact CZ2-CG2 4.29Å
361L91.7Very high87.3Confident1 Ų15.4 Ų5.41%0.0053%0.025CC..G310 helixtrans-79.6-23.2179.4-69.1171.3000112.7I169 L170 V358 D359 F364 I365 F450I169-L361 HydrophobicContact CD1-CD2 3.35Å; I169-L361 HydrophobicContact CG1-CD2 3.93Å; I169-L361 HydrophobicContact CG2-CD2 3.99Å; L170-L361 HydrophobicContact CD2-CD1 4.25Å; V358-L361 HydrophobicContact CB-CB 4.23Å; V358-L361 HydrophobicContact CG1-CB 3.62Å; V358-L361 HydrophobicContact CG1-CD1 3.47Å; V358-L361 VanDerWaalsContact CG1-CD1 3.47Å; V358-L361 HydrophobicContact CG1-CG 4.07Å; V358-L361 WeakPolarHBondContact O-CB 3.43Å; V358-L361 PolarHBondContact O-N 2.99Å; D359-L361 VanDerWaalsContact C-N 3.31Å; D359-L361 PolarHBondContact O-N 3.02Å; L361-F364 PolarHBondContact O-N 3.08Å; L361-I365 HydrophobicContact CB-CD1 3.59Å; L361-I365 HydrophobicContact CB-CG1 4.35Å; L361-I365 HydrophobicContact CD1-CD1 4.47Å; L361-I365 PolarHBondContact O-N 2.87Å; L361-F450 HydrophobicContact CD1-CD2 4.5Å; L361-F450 HydrophobicContact CD1-CE2 3.69Å
362A91.7Very high88Confident0 Ų03.9 Ų3.90%02%0.021CC..Hα-helixtrans-48.4-51.5-174.300000114.7M339 D359 F364 I365 I366M339-A362 HydrophobicContact CE-CB 4.4Å; D359-A362 WeakPolarHBondContact O-CB 3.18Å; D359-A362 PolarHBondContact O-N 2.93Å; A362-F364 PolarHBondContact O-N 2.74Å; A362-I365 PolarHBondContact O-N 3.34Å; A362-I366 HydrophobicContact CB-CD1 4.28Å; A362-I366 VanDerWaalsContact O-CB 3.32Å; A362-I366 WeakPolarHBondContact O-CB 3.37Å; A362-I366 PolarHBondContact O-N 2.99Å
363P95.4Very high88.4Confident0 Ų06.6 Ų6.60%03%0.033CC..Hα-helixtrans-67.9-20.3-179.427.2-37000114M33 F36 M339 M367 Y384M33-P363 HydrophobicContact CE-CG 3.41Å; M33-P363 VanDerWaalsContact CE-CG 3.41Å; M33-P363 HydrophobicContact SD-CG 4.33Å; F36-P363 HydrophobicContact CB-CB 4.03Å; F36-P363 HydrophobicContact CB-CG 4.08Å; M339-P363 HydrophobicContact SD-CB 4.49Å; P363-M367 VanDerWaalsContact O-CB 3.23Å; P363-M367 WeakPolarHBondContact O-CB 3.4Å; P363-Y384 WeakPolarHBondContact CB-OH 3.47Å; P363-Y384 PolarHBondContact O-OH 3.43Å
364F95.1Very high88.9Confident0 Ų09.3 Ų9.30%05%0.045CC..Hα-helixtrans-82.6-46.1174.8-63-69.6000110.9M33 I115 S116 Y119 I169 L361 A362 S368 F385 L388M33-F364 HydrophobicContact CE-CD2 4.12Å; M33-F364 HydrophobicContact CE-CE2 3.44Å; M33-F364 VanDerWaalsContact CE-CE2 3.44Å; M33-F364 HydrophobicContact CE-CZ 4.14Å; I115-F364 HydrophobicContact CB-CE2 4.45Å; I115-F364 HydrophobicContact CB-CZ 4.13Å; I115-F364 HydrophobicContact CG2-CD1 3.97Å; I115-F364 HydrophobicContact CG2-CD2 4.13Å; I115-F364 HydrophobicContact CG2-CE1 3.73Å; I115-F364 HydrophobicContact CG2-CE2 3.85Å; I115-F364 HydrophobicContact CG2-CG 4.19Å; I115-F364 HydrophobicContact CG2-CZ 3.66Å; S116-F364 WeakPolarHBondContact OG-CZ 3.37Å; Y119-F364 AromaticContact CD2-CD1 3.67Å; Y119-F364 HydrophobicContact CD2-CD1 3.67Å; Y119-F364 HydrophobicContact CD2-CE1 4.22Å; Y119-F364 HydrophobicContact CD2-CG 4.4Å; Y119-F364 HydrophobicContact CE2-CB 3.96Å; Y119-F364 AromaticContact CE2-CD1 3.77Å; Y119-F364 HydrophobicContact CE2-CD1 3.77Å; Y119-F364 HydrophobicContact CE2-CG 4.04Å; Y119-F364 HydrophobicContact CG-CD1 4.2Å; I169-F364 HydrophobicContact CD1-CB 3.95Å; I169-F364 HydrophobicContact CD1-CD2 4.26Å; I169-F364 HydrophobicContact CD1-CG 4.22Å; L361-F364 PolarHBondContact O-N 3.08Å; A362-F364 PolarHBondContact O-N 2.74Å; F364-S368 WeakPolarHBondContact O-CB 3.2Å; F364-S368 PolarHBondContact O-N 2.95Å; F364-S368 PolarHBondContact O-OG 3.29Å; F364-F385 AromaticContact CD1-CE1 3.99Å; F364-F385 HydrophobicContact CD1-CE1 3.99Å; F364-L388 HydrophobicContact CD1-CD2 4.44Å; F364-L388 HydrophobicContact CE1-CD2 3.68Å; F364-L388 HydrophobicContact CZ-CD2 4.04Å
365I92.3Very high89.5Confident0 Ų012.3 Ų12.30%07%0.066CC..Hα-helixtrans-69.3-55.7-178.5-64.2161.4000111.1V163 E165 E166 I169 V358 L361 A362 M367 S368 H369V163-I365 HydrophobicContact CG2-CG2 4.22Å; E165-I365 HydrophobicContact CB-CG2 4.42Å; E166-I365 HydrophobicContact CG-CD1 3.71Å; E166-I365 HydrophobicContact CG-CG1 4.05Å; E166-I365 HydrophobicContact CG-CG2 3.79Å; I169-I365 HydrophobicContact CG2-CG1 4.38Å; V358-I365 HydrophobicContact CG1-CD1 4.19Å; L361-I365 HydrophobicContact CB-CD1 3.59Å; L361-I365 HydrophobicContact CB-CG1 4.35Å; L361-I365 HydrophobicContact CD1-CD1 4.47Å; L361-I365 PolarHBondContact O-N 2.87Å; A362-I365 PolarHBondContact O-N 3.34Å; I365-M367 VanDerWaalsContact C-N 3.31Å; I365-M367 PolarHBondContact O-N 3.29Å; I365-S368 PolarHBondContact O-N 3.44Å; I365-S368 PolarHBondContact O-OG 3.1Å; I365-H369 VanDerWaalsContact O-CB 3.32Å; I365-H369 WeakPolarHBondContact O-CB 3.39Å; I365-H369 PolarHBondContact O-N 2.89Å
366I92.5Very high90Very high0 Ų012.3 Ų12.30%07%0.067CC..Hα-helixtrans-63.5-42.8-172.1-70.9168.3000110.2M339 A342 T343 Y347 H355 L356 A362 H369 I370M339-I366 HydrophobicContact CE-CB 3.97Å; M339-I366 HydrophobicContact CE-CD1 3.43Å; M339-I366 VanDerWaalsContact CE-CD1 3.43Å; M339-I366 HydrophobicContact CE-CG1 4.25Å; M339-I366 HydrophobicContact CE-CG2 4.04Å; M339-I366 HydrophobicContact SD-CG2 4.43Å; A342-I366 HydrophobicContact CB-CG2 3.99Å; T343-I366 HydrophobicContact CG2-CD1 4.02Å; T343-I366 HydrophobicContact CG2-CG2 3.91Å; Y347-I366 HydrophobicContact CE2-CG1 4.25Å; Y347-I366 HydrophobicContact CE2-CG2 4.1Å; H355-I366 HydrophobicContact CB-CD1 4.36Å; H355-I366 HydrophobicContact CB-CG1 4.41Å; L356-I366 HydrophobicContact CD1-CD1 4.19Å; L356-I366 HydrophobicContact CG-CD1 4.1Å; A362-I366 HydrophobicContact CB-CD1 4.28Å; A362-I366 VanDerWaalsContact O-CB 3.32Å; A362-I366 WeakPolarHBondContact O-CB 3.37Å; A362-I366 PolarHBondContact O-N 2.99Å; I366-H369 PolarHBondContact O-N 2.87Å; I366-I370 HydrophobicContact CG2-CD1 3.96Å; I366-I370 WeakPolarHBondContact O-CD1 3.19Å; I366-I370 WeakPolarHBondContact O-CG1 3.3Å; I366-I370 PolarHBondContact O-N 3.09Å
367M94.8Very high90.5Very high0 Ų015.7 Ų15.70%09%0.089CC..Hα-helixtrans-72.8-41.4-176.9-163.858.754.700112.7I240 I338 A342 P363 I365 H369 I370 F371 Y384I240-M367 HydrophobicContact CD1-CE 4.06Å; I240-M367 HydrophobicContact CD1-SD 3.62Å; I338-M367 HydrophobicContact CG2-CE 3.2Å; A342-M367 HydrophobicContact CB-CE 3.79Å; P363-M367 VanDerWaalsContact O-CB 3.23Å; P363-M367 WeakPolarHBondContact O-CB 3.4Å; I365-M367 VanDerWaalsContact C-N 3.31Å; I365-M367 PolarHBondContact O-N 3.29Å; M367-H369 PolarHBondContact O-N 3.42Å; M367-I370 PolarHBondContact O-N 2.95Å; M367-I370 HydrophobicContact SD-CD1 4.45Å; M367-F371 HydrophobicContact CB-CE2 4.42Å; M367-F371 HydrophobicContact CG-CD2 3.9Å; M367-F371 HydrophobicContact CG-CE1 4.26Å; M367-F371 HydrophobicContact CG-CE2 3.26Å; M367-F371 HydrophobicContact CG-CZ 3.45Å; M367-F371 VanDerWaalsContact CG-CZ 3.45Å; M367-F371 WeakPolarHBondContact O-CD2 3.27Å; M367-F371 VanDerWaalsContact O-CG 3.24Å; M367-F371 WeakPolarHBondContact O-CG 3.31Å; M367-F371 PolarHBondContact O-N 3.14Å; M367-F371 VanDerWaalsContact O-N 3.11Å; M367-F371 HydrophobicContact SD-CE1 3.86Å; M367-F371 HydrophobicContact SD-CE2 3.98Å; M367-F371 HydrophobicContact SD-CZ 3.52Å; M367-F371 VanDerWaalsContact SD-CZ 3.52Å; M367-Y384 HydrophobicContact CB-CD1 4.16Å; M367-Y384 HydrophobicContact CB-CE1 3.54Å; M367-Y384 HydrophobicContact CB-CE2 4.34Å; M367-Y384 HydrophobicContact CE-CD2 4.38Å; M367-Y384 HydrophobicContact CE-CE2 3.92Å; M367-Y384 HydrophobicContact CG-CD1 3.51Å; M367-Y384 HydrophobicContact CG-CD2 3.93Å; M367-Y384 HydrophobicContact CG-CE1 3.39Å; M367-Y384 HydrophobicContact CG-CE2 3.82Å; M367-Y384 HydrophobicContact CG-CG 3.76Å; M367-Y384 HydrophobicContact SD-CD2 4.41Å; M367-Y384 HydrophobicContact SD-CE2 4.42Å
368S93.9Very high91.1Very high0 Ų020.6 Ų20.60%011%0.107CC..Hα-helixtrans-61.6-36.2175.1580000111.8W139 E165 F364 I365 F371 S372W139-S368 PolarHBondContact NE1-O 2.93Å; E165-S368 WeakPolarHBondContact CB-OG 3.49Å; E165-S368 WeakPolarHBondContact CG-OG 3.16Å; F364-S368 WeakPolarHBondContact O-CB 3.2Å; F364-S368 PolarHBondContact O-N 2.95Å; F364-S368 PolarHBondContact O-OG 3.29Å; I365-S368 PolarHBondContact O-N 3.44Å; I365-S368 PolarHBondContact O-OG 3.1Å; S368-F371 PolarHBondContact O-N 3.13Å; S368-S372 PolarHBondContact O-N 3.41Å; S368-S372 PolarHBondContact O-OG 3.04Å
369H91Very high91.9Very high11 Ų1127 Ų275%0.05114%0.141CC..Hα-helixtrans-63.4-40.2176.1178.774000113.3E165 S346 Y347 I365 I366 M367 F371 S372 K373E165-H369 HydrophobicContact CG-CB 4.12Å; E165-H369 WeakPolarHBondContact OE1-CA 3.26Å; E165-H369 IonicContact OE1-ND1 3.42Å; E165-H369 IonicContact OE2-ND1 3.99Å; E165-H369 PolarHBondContact OE2-ND1 3.2Å; S346-H369 PolarHBondContact OG-CD2 2.95Å; Y347-H369 AromaticContact CE2-CD2 3.85Å; Y347-H369 AromaticContact CZ-CD2 3.84Å; I365-H369 VanDerWaalsContact O-CB 3.32Å; I365-H369 WeakPolarHBondContact O-CB 3.39Å; I365-H369 PolarHBondContact O-N 2.89Å; I366-H369 PolarHBondContact O-N 2.87Å; M367-H369 PolarHBondContact O-N 3.42Å; H369-F371 VanDerWaalsContact C-N 3.34Å; H369-S372 WeakPolarHBondContact CA-OG 3.35Å; H369-S372 PolarHBondContact O-OG 2.86Å; H369-K373 WeakPolarHBondContact O-CB 3.45Å; H369-K373 PolarHBondContact O-N 3.45Å
370I92Very high92.7Very high0 Ų026.7 Ų26.70%014%0.139CC..Hα-helixtrans-70.6-39.4178.4-67.4152.5000110.3Y244 A342 I366 M367 K373 F374Y244-I370 HydrophobicContact CD2-CG2 4.14Å; A342-I370 VanDerWaalsContact C-CD1 3.41Å; A342-I370 HydrophobicContact CB-CD1 3.08Å; A342-I370 VanDerWaalsContact O-CD1 3.29Å; A342-I370 WeakPolarHBondContact O-CD1 3.49Å; I366-I370 HydrophobicContact CG2-CD1 3.96Å; I366-I370 WeakPolarHBondContact O-CD1 3.19Å; I366-I370 WeakPolarHBondContact O-CG1 3.3Å; I366-I370 PolarHBondContact O-N 3.09Å; M367-I370 PolarHBondContact O-N 2.95Å; M367-I370 HydrophobicContact SD-CD1 4.45Å; I370-K373 PolarHBondContact O-N 3.1Å; I370-F374 HydrophobicContact CG2-CD2 3.81Å; I370-F374 HydrophobicContact CG2-CE2 4.12Å; I370-F374 WeakPolarHBondContact O-CD2 3.34Å; I370-F374 PolarHBondContact O-N 3.27Å
371F93.7Very high93Very high0 Ų026.3 Ų26.30%014%0.138CC..Hα-helixtrans-66.1-38.9178.4-64.2-32.1000112.7Y137 M367 S368 H369 S375 S376 L380 V381 Y384 F385Y137-F371 HydrophobicContact CE2-CB 4.32Å; M367-F371 HydrophobicContact CB-CE2 4.42Å; M367-F371 HydrophobicContact CG-CD2 3.9Å; M367-F371 HydrophobicContact CG-CE1 4.26Å; M367-F371 HydrophobicContact CG-CE2 3.26Å; M367-F371 HydrophobicContact CG-CZ 3.45Å; M367-F371 VanDerWaalsContact CG-CZ 3.45Å; M367-F371 WeakPolarHBondContact O-CD2 3.27Å; M367-F371 VanDerWaalsContact O-CG 3.24Å; M367-F371 WeakPolarHBondContact O-CG 3.31Å; M367-F371 PolarHBondContact O-N 3.14Å; M367-F371 VanDerWaalsContact O-N 3.11Å; M367-F371 HydrophobicContact SD-CE1 3.86Å; M367-F371 HydrophobicContact SD-CE2 3.98Å; M367-F371 HydrophobicContact SD-CZ 3.52Å; M367-F371 VanDerWaalsContact SD-CZ 3.52Å; S368-F371 PolarHBondContact O-N 3.13Å; H369-F371 VanDerWaalsContact C-N 3.34Å; F371-S375 WeakPolarHBondContact O-CA 3.45Å; F371-S375 PolarHBondContact O-N 3.29Å; F371-S376 PolarHBondContact O-N 3.36Å; F371-L380 HydrophobicContact CE1-CD2 4.09Å; F371-L380 HydrophobicContact CE1-CG 4.02Å; F371-V381 HydrophobicContact CB-CG2 3.64Å; F371-V381 HydrophobicContact CD1-CG2 3.92Å; F371-V381 HydrophobicContact CD2-CB 3.96Å; F371-V381 HydrophobicContact CD2-CG1 3.6Å; F371-V381 HydrophobicContact CD2-CG2 3.62Å; F371-V381 HydrophobicContact CE1-CG2 4.45Å; F371-V381 HydrophobicContact CE2-CB 4.14Å; F371-V381 HydrophobicContact CE2-CG1 3.94Å; F371-V381 HydrophobicContact CE2-CG2 4.13Å; F371-V381 HydrophobicContact CG-CB 4.32Å; F371-V381 HydrophobicContact CG-CG1 4.3Å; F371-V381 HydrophobicContact CG-CG2 3.47Å; F371-V381 VanDerWaalsContact CG-CG2 3.47Å; F371-Y384 AromaticContact CE2-CD1 3.92Å; F371-Y384 HydrophobicContact CE2-CD1 3.92Å; F371-Y384 HydrophobicContact CE2-CG 4.02Å; F371-Y384 HydrophobicContact CZ-CD1 4.41Å; F371-Y384 HydrophobicContact CZ-CG 4.05Å; F371-F385 HydrophobicContact CD2-CE2 4.44Å; F371-F385 HydrophobicContact CE2-CE2 4.41Å
372S91.1Very high93.3Very high16 Ų1626.5 Ų26.511%0.11214%0.139CC..Hα-helixtrans-67.9-50.7172.760.50000111.2E165 S368 H369 F374 S375E165-S372 PolarHBondContact OE1-OG 2.9Å; S368-S372 PolarHBondContact O-N 3.41Å; S368-S372 PolarHBondContact O-OG 3.04Å; H369-S372 WeakPolarHBondContact CA-OG 3.35Å; H369-S372 PolarHBondContact O-OG 2.86Å; S372-F374 VanDerWaalsContact C-N 3.34Å; S372-F374 PolarHBondContact O-N 3.02Å; S372-S375 PolarHBondContact O-N 2.98Å
373K88.6Confident93.6Very high58 Ų5827.3 Ų27.325%0.25215%0.145SC..Hα-helixtrans-53.7-46.3-179179.3-178.1175.6-178.40113.1S345 H369 I370S345-K373 PolarHBondContact O-NZ 3.31Å; H369-K373 WeakPolarHBondContact O-CB 3.45Å; H369-K373 PolarHBondContact O-N 3.45Å; I370-K373 PolarHBondContact O-N 3.1Å
374F90.6Very high93.7Very high59 Ų5927.3 Ų27.326%0.25915%0.145SC..THydrogen-bonded Turntrans-92.44.7-178.7-67.1-71.4000113.7Y244 S247 I370 S372 S376Y244-F374 HydrophobicContact CD1-CB 3.97Å; Y244-F374 AromaticContact CD1-CD1 3.82Å; Y244-F374 HydrophobicContact CD1-CD1 3.82Å; Y244-F374 AromaticContact CD1-CD2 3.73Å; Y244-F374 HydrophobicContact CD1-CD2 3.73Å; Y244-F374 HydrophobicContact CD1-CE1 4.25Å; Y244-F374 HydrophobicContact CD1-CE2 4.17Å; Y244-F374 AromaticContact CD1-CG 3.55Å; Y244-F374 HydrophobicContact CD1-CG 3.55Å; Y244-F374 HydrophobicContact CD1-CZ 4.42Å; Y244-F374 HydrophobicContact CD2-CD2 4.31Å; Y244-F374 HydrophobicContact CE1-CB 3.62Å; Y244-F374 HydrophobicContact CE1-CD1 4.19Å; Y244-F374 HydrophobicContact CE1-CD2 4.24Å; Y244-F374 AromaticContact CE1-CG 3.76Å; Y244-F374 HydrophobicContact CE1-CG 3.76Å; Y244-F374 AromaticContact CG-CD2 3.81Å; Y244-F374 HydrophobicContact CG-CD2 3.81Å; Y244-F374 HydrophobicContact CG-CE2 4.07Å; Y244-F374 HydrophobicContact CG-CG 4.12Å; S247-F374 WeakPolarHBondContact OG-CZ 3.45Å; I370-F374 HydrophobicContact CG2-CD2 3.81Å; I370-F374 HydrophobicContact CG2-CE2 4.12Å; I370-F374 WeakPolarHBondContact O-CD2 3.34Å; I370-F374 PolarHBondContact O-N 3.27Å; S372-F374 VanDerWaalsContact C-N 3.34Å; S372-F374 PolarHBondContact O-N 3.02Å; F374-S376 PolarHBondContact O-N 3.5Å
375S90.5Very high93.8Very high72 Ų7227.3 Ų27.350%0.50315%0.145SC..THydrogen-bonded Turntrans45.550.3-173.9-64.40000111T136 F371 S372T136-S375 WeakPolarHBondContact CG2-OG 3.29Å; F371-S375 WeakPolarHBondContact O-CA 3.45Å; F371-S375 PolarHBondContact O-N 3.29Å; S372-S375 PolarHBondContact O-N 2.98Å
376S92.6Very high94.1Very high6 Ų630.2 Ų30.24%0.04216%0.16CC..  trans-57.5155.1-172.2-76.90000111.6Y137 Y244 F371 F374 R378Y137-S376 PolarHBondContact OH-O 3.49Å; Y244-S376 PolarHBondContact OH-OG 3.42Å; F371-S376 PolarHBondContact O-N 3.36Å; F374-S376 PolarHBondContact O-N 3.5Å; S376-R378 PolarHBondContact O-N 2.85Å
377P94.2Very high94.4Very high71 Ų7130.2 Ų30.246%0.46116%0.16SC..  trans-65.1138.2173.825.9-32.3000110.3L379 L380 V381P377-L379 PolarHBondContact O-N 3.11Å; P377-L379 VanDerWaalsContact O-N 3.07Å; P377-L380 HydrophobicContact CG-CB 3.9Å; P377-L380 WeakPolarHBondContact O-CB 3.41Å; P377-L380 PolarHBondContact O-N 3.15Å; P377-V381 PolarHBondContact O-N 3.34Å
378R93.7Very high94.5Very high103 Ų10330.2 Ų30.239%0.38916%0.16SC..Hα-helixtrans-52.1-34.7-179.6-64.2-174.5-178.3176-1.9113.3D126 Y137 S376 L380 V381 A382D126-R378 IonicContact OD1-CZ 3.31Å; D126-R378 IonicContact OD1-NH1 2.68Å; D126-R378 PolarHBondContact OD1-NH1 2.95Å; D126-R378 IonicContact OD1-NH2 3.39Å; D126-R378 PolarHBondContact OD1-NH2 3.32Å; Y137-R378 HydrophobicContact CE1-CG 4.19Å; S376-R378 PolarHBondContact O-N 2.85Å; R378-L380 VanDerWaalsContact C-N 3.32Å; R378-L380 PolarHBondContact O-N 3.49Å; R378-V381 PolarHBondContact O-N 2.88Å; R378-A382 WeakPolarHBondContact O-CB 3.29Å; R378-A382 PolarHBondContact O-N 2.96Å
379L95.2Very high94.7Very high141 Ų14130.4 Ų30.474%0.73816%0.161SC*.Hα-helixtrans-61.5-37.1176.6-175.863.1000112.9P377 S383P377-L379 PolarHBondContact O-N 3.11Å; P377-L379 VanDerWaalsContact O-N 3.07Å; L379-S383 WeakPolarHBondContact O-CB 3.23Å; L379-S383 PolarHBondContact O-N 3.32Å; L379-S383 PolarHBondContact O-OG 3.38Å
380L96.4Very high95Very high15 Ų1530.8 Ų30.88%0.07916%0.164CC..Hα-helixtrans-67.1-46.6177.2177.163.9000110.7V236 T239 Y244 F371 P377 R378 A382 S383 Y384V236-L380 HydrophobicContact CB-CD1 4.31Å; V236-L380 HydrophobicContact CG1-CD1 4.42Å; V236-L380 HydrophobicContact CG2-CD1 3.97Å; T239-L380 HydrophobicContact CG2-CD1 4.41Å; T239-L380 WeakPolarHBondContact OG1-CD1 3.48Å; Y244-L380 HydrophobicContact CE2-CD2 3.8Å; F371-L380 HydrophobicContact CE1-CD2 4.09Å; F371-L380 HydrophobicContact CE1-CG 4.02Å; P377-L380 HydrophobicContact CG-CB 3.9Å; P377-L380 WeakPolarHBondContact O-CB 3.41Å; P377-L380 PolarHBondContact O-N 3.15Å; R378-L380 VanDerWaalsContact C-N 3.32Å; R378-L380 PolarHBondContact O-N 3.49Å; L380-A382 VanDerWaalsContact C-N 3.33Å; L380-A382 PolarHBondContact O-N 2.72Å; L380-S383 WeakPolarHBondContact CA-OG 3.23Å; L380-S383 PolarHBondContact O-N 3.5Å; L380-S383 PolarHBondContact O-OG 2.86Å; L380-Y384 PolarHBondContact O-N 3.36Å; L380-Y384 VanDerWaalsContact O-N 3.09Å
381V96.8Very high95.3Very high0 Ų030.9 Ų30.90%016%0.164CC..Hα-helixtrans-61.2-44.8177.9-176.50000110.9T123 Y137 W139 F371 P377 R378 S383 Y384 F385T123-V381 HydrophobicContact CG2-CB 3.69Å; T123-V381 HydrophobicContact CG2-CG1 3.56Å; T123-V381 WeakPolarHBondContact OG1-CG1 3.28Å; Y137-V381 HydrophobicContact CE1-CG2 4.26Å; Y137-V381 HydrophobicContact CE2-CG2 4.25Å; Y137-V381 WeakPolarHBondContact OH-CG2 3.32Å; W139-V381 HydrophobicContact CH2-CG1 4.36Å; W139-V381 HydrophobicContact CZ2-CG1 4.08Å; F371-V381 HydrophobicContact CB-CG2 3.64Å; F371-V381 HydrophobicContact CD1-CG2 3.92Å; F371-V381 HydrophobicContact CD2-CB 3.96Å; F371-V381 HydrophobicContact CD2-CG1 3.6Å; F371-V381 HydrophobicContact CD2-CG2 3.62Å; F371-V381 HydrophobicContact CE1-CG2 4.45Å; F371-V381 HydrophobicContact CE2-CB 4.14Å; F371-V381 HydrophobicContact CE2-CG1 3.94Å; F371-V381 HydrophobicContact CE2-CG2 4.13Å; F371-V381 HydrophobicContact CG-CB 4.32Å; F371-V381 HydrophobicContact CG-CG1 4.3Å; F371-V381 HydrophobicContact CG-CG2 3.47Å; F371-V381 VanDerWaalsContact CG-CG2 3.47Å; P377-V381 PolarHBondContact O-N 3.34Å; R378-V381 PolarHBondContact O-N 2.88Å; V381-S383 VanDerWaalsContact C-N 3.32Å; V381-S383 PolarHBondContact O-N 3.46Å; V381-Y384 PolarHBondContact O-N 2.8Å; V381-F385 HydrophobicContact CG1-CD2 3.79Å; V381-F385 HydrophobicContact CG1-CE2 3.64Å; V381-F385 WeakPolarHBondContact O-CD2 3.17Å; V381-F385 PolarHBondContact O-N 3.39Å; V381-F385 VanDerWaalsContact O-N 3.12Å
382A97.3Very high95.5Very high5 Ų531 Ų314%0.04117%0.165CC..Hα-helixtrans-62.8-40.8176.800000111L120 T123 F124 R378 L380 Y384 F385 L386L120-A382 HydrophobicContact CD1-CB 4.34Å; T123-A382 HydrophobicContact CG2-CB 3.98Å; F124-A382 HydrophobicContact CE1-CB 4.21Å; F124-A382 HydrophobicContact CE2-CB 3.9Å; F124-A382 HydrophobicContact CZ-CB 3.47Å; F124-A382 VanDerWaalsContact CZ-CB 3.47Å; R378-A382 WeakPolarHBondContact O-CB 3.29Å; R378-A382 PolarHBondContact O-N 2.96Å; L380-A382 VanDerWaalsContact C-N 3.33Å; L380-A382 PolarHBondContact O-N 2.72Å; A382-Y384 VanDerWaalsContact C-N 3.29Å; A382-Y384 PolarHBondContact O-N 3.33Å; A382-F385 PolarHBondContact O-N 3.11Å; A382-L386 WeakPolarHBondContact O-CA 3.29Å; A382-L386 WeakPolarHBondContact O-CB 3.04Å; A382-L386 PolarHBondContact O-N 3.41Å
383S97.5Very high95.8Very high17 Ų1730.9 Ų30.912%0.11916%0.163CC..Hα-helixtrans-63.3-34177.569.50000113V236 L379 L380 V381 G387V236-S383 WeakPolarHBondContact CG2-OG 3.48Å; L379-S383 WeakPolarHBondContact O-CB 3.23Å; L379-S383 PolarHBondContact O-N 3.32Å; L379-S383 PolarHBondContact O-OG 3.38Å; L380-S383 WeakPolarHBondContact CA-OG 3.23Å; L380-S383 PolarHBondContact O-N 3.5Å; L380-S383 PolarHBondContact O-OG 2.86Å; V381-S383 VanDerWaalsContact C-N 3.32Å; V381-S383 PolarHBondContact O-N 3.46Å; S383-G387 WeakPolarHBondContact O-CA 3.06Å; S383-G387 PolarHBondContact O-N 3.08Å
384Y98.1Very high96.2Very high0 Ų028.1 Ų28.10%015%0.151CC..Hα-helixtrans-68-55.9173.9173.9-100.7000112.1L233 V236 I338 P363 M367 F371 L380 V381 A382 L386 G387 L388L233-Y384 HydrophobicContact CD2-CD2 4.07Å; V236-Y384 HydrophobicContact CG1-CD2 4.17Å; I338-Y384 HydrophobicContact CG2-CE2 4.19Å; P363-Y384 WeakPolarHBondContact CB-OH 3.47Å; P363-Y384 PolarHBondContact O-OH 3.43Å; M367-Y384 HydrophobicContact CB-CD1 4.16Å; M367-Y384 HydrophobicContact CB-CE1 3.54Å; M367-Y384 HydrophobicContact CB-CE2 4.34Å; M367-Y384 HydrophobicContact CE-CD2 4.38Å; M367-Y384 HydrophobicContact CE-CE2 3.92Å; M367-Y384 HydrophobicContact CG-CD1 3.51Å; M367-Y384 HydrophobicContact CG-CD2 3.93Å; M367-Y384 HydrophobicContact CG-CE1 3.39Å; M367-Y384 HydrophobicContact CG-CE2 3.82Å; M367-Y384 HydrophobicContact CG-CG 3.76Å; M367-Y384 HydrophobicContact SD-CD2 4.41Å; M367-Y384 HydrophobicContact SD-CE2 4.42Å; F371-Y384 AromaticContact CE2-CD1 3.92Å; F371-Y384 HydrophobicContact CE2-CD1 3.92Å; F371-Y384 HydrophobicContact CE2-CG 4.02Å; F371-Y384 HydrophobicContact CZ-CD1 4.41Å; F371-Y384 HydrophobicContact CZ-CG 4.05Å; L380-Y384 PolarHBondContact O-N 3.36Å; L380-Y384 VanDerWaalsContact O-N 3.09Å; V381-Y384 PolarHBondContact O-N 2.8Å; A382-Y384 VanDerWaalsContact C-N 3.29Å; A382-Y384 PolarHBondContact O-N 3.33Å; Y384-L386 VanDerWaalsContact C-N 3.34Å; Y384-L386 PolarHBondContact O-N 3.38Å; Y384-G387 PolarHBondContact O-N 3.49Å; Y384-L388 HydrophobicContact CE1-CD2 4.43Å; Y384-L388 WeakPolarHBondContact O-CB 3.31Å; Y384-L388 PolarHBondContact O-N 3.04Å
385F97.8Very high96.5Very high0 Ų025.7 Ų25.70%014%0.141CC..Hα-helixtrans-69.3-32-176.8-68.8-62000112.6Y119 L120 W139 F364 F371 V381 A382 L388 S389Y119-F385 HydrophobicContact CD1-CD1 4.48Å; Y119-F385 AromaticContact CD1-CE1 3.67Å; Y119-F385 HydrophobicContact CD1-CE1 3.67Å; Y119-F385 AromaticContact CD1-CE2 3.9Å; Y119-F385 HydrophobicContact CD1-CE2 3.9Å; Y119-F385 AromaticContact CD1-CZ 3.33Å; Y119-F385 HydrophobicContact CD1-CZ 3.33Å; Y119-F385 HydrophobicContact CE1-CE1 4.47Å; Y119-F385 HydrophobicContact CE1-CZ 4.09Å; Y119-F385 HydrophobicContact CG-CD1 4.15Å; Y119-F385 AromaticContact CG-CE1 3.69Å; Y119-F385 HydrophobicContact CG-CE1 3.69Å; Y119-F385 HydrophobicContact CG-CE2 4.39Å; Y119-F385 AromaticContact CG-CZ 3.83Å; Y119-F385 HydrophobicContact CG-CZ 3.83Å; L120-F385 HydrophobicContact CB-CB 4.2Å; L120-F385 HydrophobicContact CD1-CB 4.28Å; W139-F385 HydrophobicContact CH2-CE2 4.44Å; W139-F385 HydrophobicContact CZ2-CE2 4.46Å; F364-F385 AromaticContact CD1-CE1 3.99Å; F364-F385 HydrophobicContact CD1-CE1 3.99Å; F371-F385 HydrophobicContact CD2-CE2 4.44Å; F371-F385 HydrophobicContact CE2-CE2 4.41Å; V381-F385 HydrophobicContact CG1-CD2 3.79Å; V381-F385 HydrophobicContact CG1-CE2 3.64Å; V381-F385 WeakPolarHBondContact O-CD2 3.17Å; V381-F385 PolarHBondContact O-N 3.39Å; V381-F385 VanDerWaalsContact O-N 3.12Å; A382-F385 PolarHBondContact O-N 3.11Å; F385-L388 HydrophobicContact CD1-CD2 4.49Å; F385-S389 VanDerWaalsContact O-CB 3.31Å; F385-S389 WeakPolarHBondContact O-CB 3.26Å; F385-S389 PolarHBondContact O-N 3.28Å; F385-S389 PolarHBondContact O-OG 3.37Å
386L97.9Very high96.8Very high60 Ų6022.5 Ų22.531%0.31412%0.118SC..Hα-helixtrans-70.4-42.5172.2-162.3148.6000110.9L120 L232 A382 Y384 S389 L390L120-L386 HydrophobicContact CD1-CB 3.94Å; L120-L386 HydrophobicContact CD1-CD1 4.49Å; L120-L386 HydrophobicContact CD2-CB 4.33Å; L120-L386 HydrophobicContact CD2-CD1 4.28Å; L120-L386 HydrophobicContact CD2-CG 4.35Å; L232-L386 HydrophobicContact CD1-CB 4.49Å; L232-L386 HydrophobicContact CD1-CD2 3.21Å; L232-L386 HydrophobicContact CD1-CG 4.42Å; A382-L386 WeakPolarHBondContact O-CA 3.29Å; A382-L386 WeakPolarHBondContact O-CB 3.04Å; A382-L386 PolarHBondContact O-N 3.41Å; Y384-L386 VanDerWaalsContact C-N 3.34Å; Y384-L386 PolarHBondContact O-N 3.38Å; L386-S389 WeakPolarHBondContact CA-OG 3.46Å; L386-S389 PolarHBondContact O-N 3.21Å; L386-S389 PolarHBondContact O-OG 2.8Å; L386-L390 HydrophobicContact CD2-CD1 3.56Å; L386-L390 HydrophobicContact CD2-CG 3.99Å; L386-L390 WeakPolarHBondContact O-CB 3.38Å; L386-L390 VanDerWaalsContact O-CG 3.27Å; L386-L390 WeakPolarHBondContact O-CG 3.28Å; L386-L390 PolarHBondContact O-N 2.98Å
387G97.8Very high97Very high0 Ų022.2 Ų22.20%012%0.116CC..Hα-helixtrans-59.9-49.3173.400000112.4S383 Y384 L390 F391S383-G387 WeakPolarHBondContact O-CA 3.06Å; S383-G387 PolarHBondContact O-N 3.08Å; Y384-G387 PolarHBondContact O-N 3.49Å; G387-L390 PolarHBondContact O-N 3Å; G387-F391 WeakPolarHBondContact O-CD2 3.26Å; G387-F391 PolarHBondContact O-N 3.34Å
388L97.9Very high97.1Very high0 Ų018.9 Ų18.90%09%0.094CC..Hα-helixtrans-56.6-51.7175.8177.166.3000111.2F36 F364 Y384 F385 L390 F391 L392F36-L388 HydrophobicContact CB-CD1 4.46Å; F36-L388 HydrophobicContact CD1-CD1 3.74Å; F36-L388 HydrophobicContact CD2-CD1 3.6Å; F36-L388 HydrophobicContact CE1-CD1 3.78Å; F36-L388 HydrophobicContact CE2-CD1 3.62Å; F36-L388 HydrophobicContact CG-CD1 3.67Å; F36-L388 HydrophobicContact CZ-CD1 3.73Å; F364-L388 HydrophobicContact CD1-CD2 4.44Å; F364-L388 HydrophobicContact CE1-CD2 3.68Å; F364-L388 HydrophobicContact CZ-CD2 4.04Å; Y384-L388 HydrophobicContact CE1-CD2 4.43Å; Y384-L388 WeakPolarHBondContact O-CB 3.31Å; Y384-L388 PolarHBondContact O-N 3.04Å; F385-L388 HydrophobicContact CD1-CD2 4.49Å; L388-L390 VanDerWaalsContact C-N 3.33Å; L388-L390 PolarHBondContact O-N 2.95Å; L388-F391 PolarHBondContact O-N 3.28Å; L388-L392 HydrophobicContact CD1-CD1 4.27Å; L388-L392 HydrophobicContact CD1-CG 4.34Å; L388-L392 HydrophobicContact CG-CD1 4.15Å; L388-L392 WeakPolarHBondContact O-CG 3.2Å; L388-L392 PolarHBondContact O-N 3.31Å
389S97.7Very high97.2Very high4 Ų414.1 Ų14.13%0.0288%0.076CC..Hα-helixtrans-61.7-38.9179.757.20000112.3L113 F385 L386 L392 L393L113-S389 VanDerWaalsContact CD1-O 3.26Å; L113-S389 WeakPolarHBondContact CD1-O 3.37Å; F385-S389 VanDerWaalsContact O-CB 3.31Å; F385-S389 WeakPolarHBondContact O-CB 3.26Å; F385-S389 PolarHBondContact O-N 3.28Å; F385-S389 PolarHBondContact O-OG 3.37Å; L386-S389 WeakPolarHBondContact CA-OG 3.46Å; L386-S389 PolarHBondContact O-N 3.21Å; L386-S389 PolarHBondContact O-OG 2.8Å; S389-L392 PolarHBondContact O-N 3.31Å; S389-L393 WeakPolarHBondContact O-CB 3.43Å; S389-L393 PolarHBondContact O-N 3.45Å
390L98Very high97.3Very high20 Ų207.5 Ų7.511%0.1054%0.041CC..Hα-helixtrans-63.1-44.2175-73.9178.8000112.8L225 L228 A229 L232 L386 G387 L388 L393 L394L225-L390 HydrophobicContact CD2-CD2 4.01Å; L228-L390 HydrophobicContact CB-CD1 4.33Å; L228-L390 HydrophobicContact CD2-CD1 3.74Å; L228-L390 HydrophobicContact CG-CD1 3.76Å; A229-L390 HydrophobicContact CB-CB 3.74Å; A229-L390 HydrophobicContact CB-CD1 4.12Å; L232-L390 HydrophobicContact CD1-CD1 3.97Å; L386-L390 HydrophobicContact CD2-CD1 3.56Å; L386-L390 HydrophobicContact CD2-CG 3.99Å; L386-L390 WeakPolarHBondContact O-CB 3.38Å; L386-L390 VanDerWaalsContact O-CG 3.27Å; L386-L390 WeakPolarHBondContact O-CG 3.28Å; L386-L390 PolarHBondContact O-N 2.98Å; G387-L390 PolarHBondContact O-N 3Å; L388-L390 VanDerWaalsContact C-N 3.33Å; L388-L390 PolarHBondContact O-N 2.95Å; L390-L393 HydrophobicContact CD2-CD2 4.25Å; L390-L393 PolarHBondContact O-N 3.28Å; L390-L394 VanDerWaalsContact O-CB 3.31Å; L390-L394 WeakPolarHBondContact O-CB 3.45Å; L390-L394 WeakPolarHBondContact O-CD1 3.17Å; L390-L394 WeakPolarHBondContact O-CG 3.43Å; L390-L394 PolarHBondContact O-N 3.44Å
391F98Very high97.2Very high2 Ų26.8 Ų6.81%0.0094%0.038CC..Hα-helixtrans-62.7-44.7176-82.6-68.6000111.9S28 V31 F36 A229 I230 L233 G387 L388 L393 L394 N395S28-F391 VanDerWaalsContact O-CD1 3.3Å; S28-F391 WeakPolarHBondContact O-CD1 3.49Å; V31-F391 HydrophobicContact CB-CB 4.46Å; V31-F391 HydrophobicContact CB-CD1 3.6Å; V31-F391 HydrophobicContact CB-CE1 4Å; V31-F391 HydrophobicContact CB-CG 4.16Å; V31-F391 HydrophobicContact CG1-CD1 4.16Å; V31-F391 HydrophobicContact CG1-CG 4.29Å; V31-F391 HydrophobicContact CG2-CD1 3.97Å; V31-F391 HydrophobicContact CG2-CE1 3.84Å; F36-F391 HydrophobicContact CE2-CB 4.46Å; F36-F391 HydrophobicContact CZ-CD2 4.49Å; A229-F391 HydrophobicContact CB-CD1 4.4Å; A229-F391 HydrophobicContact CB-CD2 3.9Å; A229-F391 HydrophobicContact CB-CE1 4.28Å; A229-F391 HydrophobicContact CB-CE2 3.68Å; A229-F391 HydrophobicContact CB-CG 4.26Å; A229-F391 HydrophobicContact CB-CZ 3.92Å; A229-F391 WeakPolarHBondContact O-CE2 3.32Å; I230-F391 HydrophobicContact CG1-CE1 4.38Å; I230-F391 HydrophobicContact CG1-CZ 3.9Å; L233-F391 HydrophobicContact CB-CE2 4.23Å; L233-F391 HydrophobicContact CD1-CD2 3.36Å; L233-F391 HydrophobicContact CD1-CE2 3.33Å; L233-F391 HydrophobicContact CG-CD2 4.06Å; L233-F391 HydrophobicContact CG-CE2 3.78Å; G387-F391 WeakPolarHBondContact O-CD2 3.26Å; G387-F391 PolarHBondContact O-N 3.34Å; L388-F391 PolarHBondContact O-N 3.28Å; F391-L393 PolarHBondContact O-N 3.46Å; F391-L394 PolarHBondContact O-N 2.83Å; F391-N395 PolarHBondContact O-N 3.31Å
392L97.7Very high97.1Very high2 Ų26.8 Ų6.81%0.014%0.038CC..Hα-helixtrans-61-46.2176.1-67.4179.9000111.5M33 F112 L113 S116 L388 S389 N395 Q396M33-L392 HydrophobicContact CB-CD2 3.75Å; M33-L392 HydrophobicContact SD-CD1 4.43Å; M33-L392 HydrophobicContact SD-CD2 4.31Å; F112-L392 HydrophobicContact CB-CD1 4.13Å; L113-L392 HydrophobicContact CD1-CB 4.19Å; S116-L392 WeakPolarHBondContact OG-CD1 3.47Å; L388-L392 HydrophobicContact CD1-CD1 4.27Å; L388-L392 HydrophobicContact CD1-CG 4.34Å; L388-L392 HydrophobicContact CG-CD1 4.15Å; L388-L392 WeakPolarHBondContact O-CG 3.2Å; L388-L392 PolarHBondContact O-N 3.31Å; S389-L392 PolarHBondContact O-N 3.31Å; L392-N395 PolarHBondContact O-N 3.22Å; L392-Q396 VanDerWaalsContact O-CG 3.29Å; L392-Q396 WeakPolarHBondContact O-CG 3.47Å; L392-Q396 PolarHBondContact O-N 2.94Å
393L97.8Very high97Very high13 Ų136.7 Ų6.77%0.0684%0.037CC..Hα-helixtrans-61.2-42.8177.6170.7130.7000112.2L113 F117 S206 M210 L225 S389 L390 F391 Q396 A397L113-L393 HydrophobicContact CD1-CB 4.06Å; L113-L393 HydrophobicContact CD2-CB 4.01Å; L113-L393 HydrophobicContact CD2-CD1 4.26Å; F117-L393 HydrophobicContact CZ-CD1 4.43Å; S206-L393 VanDerWaalsContact CB-CD1 3.49Å; M210-L393 HydrophobicContact CE-CD2 3.57Å; M210-L393 HydrophobicContact CE-CG 4.28Å; M210-L393 HydrophobicContact CG-CD2 4.37Å; M210-L393 HydrophobicContact SD-CD1 3.9Å; M210-L393 HydrophobicContact SD-CD2 3.06Å; M210-L393 WeakPolarHBondContact SD-CD2 3.42Å; M210-L393 HydrophobicContact SD-CG 3.25Å; M210-L393 WeakPolarHBondContact SD-CG 3.47Å; L225-L393 HydrophobicContact CD1-CD2 4.44Å; S389-L393 WeakPolarHBondContact O-CB 3.43Å; S389-L393 PolarHBondContact O-N 3.45Å; L390-L393 HydrophobicContact CD2-CD2 4.25Å; L390-L393 PolarHBondContact O-N 3.28Å; F391-L393 PolarHBondContact O-N 3.46Å; L393-Q396 PolarHBondContact O-N 3.47Å; L393-A397 VanDerWaalsContact O-CB 3.29Å; L393-A397 WeakPolarHBondContact O-CB 3.33Å; L393-A397 PolarHBondContact O-N 3.4Å
394L97.4Very high96.9Very high0 Ų05.9 Ų5.90%03%0.031CC..Hα-helixtrans-62.4-43.6174.4-77.1168.2000112.5C29 M210 L222 L225 A229 L390 F391 L398C29-L394 HydrophobicContact CB-CB 4.49Å; M210-L394 HydrophobicContact CE-CD2 3.87Å; L222-L394 HydrophobicContact CD2-CD2 3.58Å; L225-L394 HydrophobicContact CB-CD2 4.23Å; A229-L394 HydrophobicContact CB-CD1 4.4Å; L390-L394 VanDerWaalsContact O-CB 3.31Å; L390-L394 WeakPolarHBondContact O-CB 3.45Å; L390-L394 WeakPolarHBondContact O-CD1 3.17Å; L390-L394 WeakPolarHBondContact O-CG 3.43Å; L390-L394 PolarHBondContact O-N 3.44Å; F391-L394 PolarHBondContact O-N 2.83Å; L394-L398 WeakPolarHBondContact O-CB 3.35Å; L394-L398 PolarHBondContact O-N 3.46Å; L394-L398 VanDerWaalsContact O-N 3.09Å
395N96.8Very high96.6Very high9 Ų96.1 Ų6.15%0.0483%0.032CC..Hα-helixtrans-64.3-45.5175.7179.753.3000111.5C29 N297 F391 L392 A397 L398 I399C29-N395 VanDerWaalsContact O-CA 3.28Å; C29-N395 WeakPolarHBondContact O-CA 3.31Å; C29-N395 WeakPolarHBondContact O-CB 3.26Å; C29-N395 PolarHBondContact O-OD1 3.3Å; N297-N395 PolarHBondContact ND2-OD1 2.64Å; N297-N395 VanDerWaalsContact ND2-OD1 3.13Å; F391-N395 PolarHBondContact O-N 3.31Å; L392-N395 PolarHBondContact O-N 3.22Å; N395-A397 PolarHBondContact O-N 3.14Å; N395-L398 PolarHBondContact O-N 3.05Å; N395-I399 WeakPolarHBondContact O-CG1 3.44Å; N395-I399 PolarHBondContact O-N 2.89Å
396Q96.7Very high96.4Very high5 Ų56.1 Ų6.12%0.0233%0.032CC..Hα-helixtrans-62.9-43.5178.5-70.4-45.9-5600112.7F106 I207 L392 L393 L398 I399 L400F106-Q396 VanDerWaalsContact CA-OE1 3.27Å; F106-Q396 HydrophobicContact CE2-CB 4.39Å; F106-Q396 PolarHBondContact O-OE1 3.36Å; I207-Q396 HydrophobicContact CD1-CB 3.77Å; I207-Q396 HydrophobicContact CD1-CG 4.14Å; I207-Q396 HydrophobicContact CG1-CB 4.03Å; L392-Q396 VanDerWaalsContact O-CG 3.29Å; L392-Q396 WeakPolarHBondContact O-CG 3.47Å; L392-Q396 PolarHBondContact O-N 2.94Å; L393-Q396 PolarHBondContact O-N 3.47Å; Q396-L398 VanDerWaalsContact C-N 3.32Å; Q396-L398 PolarHBondContact O-N 3.27Å; Q396-I399 PolarHBondContact O-N 3.39Å; Q396-L400 WeakPolarHBondContact O-CB 3.36Å; Q396-L400 PolarHBondContact O-N 3.09Å
397A96.8Very high96.2Very high0 Ų05.1 Ų5.10%03%0.027CC..Hα-helixtrans-62.9-38.7176.600000112M210 T211 F218 L393 N395 L401M210-A397 HydrophobicContact CB-CB 4.19Å; M210-A397 HydrophobicContact CE-CB 3.88Å; M210-A397 HydrophobicContact SD-CB 3.81Å; T211-A397 HydrophobicContact CG2-CB 3.85Å; F218-A397 HydrophobicContact CD2-CB 4.16Å; F218-A397 HydrophobicContact CE2-CB 3.5Å; F218-A397 HydrophobicContact CZ-CB 4.27Å; L393-A397 VanDerWaalsContact O-CB 3.29Å; L393-A397 WeakPolarHBondContact O-CB 3.33Å; L393-A397 PolarHBondContact O-N 3.4Å; N395-A397 PolarHBondContact O-N 3.14Å; A397-L401 WeakPolarHBondContact O-CB 3.38Å; A397-L401 PolarHBondContact O-N 3.31Å
398L96Very high96Very high0 Ų05.1 Ų5.10%03%0.027CC..Hα-helixtrans-66.2-43.9176.4-179.456.3000112.3L26 C29 F30 F218 V302 L394 N395 Q396 L401 S402L26-L398 HydrophobicContact CD1-CD1 3.95Å; L26-L398 HydrophobicContact CD1-CD2 4.04Å; L26-L398 HydrophobicContact CG-CD2 4.24Å; C29-L398 HydrophobicContact CB-CB 4.05Å; C29-L398 HydrophobicContact CB-CD2 3.45Å; C29-L398 VanDerWaalsContact CB-CD2 3.45Å; C29-L398 HydrophobicContact CB-CG 4.38Å; F30-L398 HydrophobicContact CE1-CD2 4.43Å; F30-L398 HydrophobicContact CZ-CD2 4.28Å; F218-L398 HydrophobicContact CZ-CB 4.46Å; V302-L398 HydrophobicContact CG1-CD1 4.07Å; V302-L398 HydrophobicContact CG1-CD2 3.66Å; V302-L398 HydrophobicContact CG1-CG 3.79Å; L394-L398 WeakPolarHBondContact O-CB 3.35Å; L394-L398 PolarHBondContact O-N 3.46Å; L394-L398 VanDerWaalsContact O-N 3.09Å; N395-L398 PolarHBondContact O-N 3.05Å; Q396-L398 VanDerWaalsContact C-N 3.32Å; Q396-L398 PolarHBondContact O-N 3.27Å; L398-L401 PolarHBondContact O-N 2.82Å; L398-S402 WeakPolarHBondContact O-CB 3.27Å; L398-S402 PolarHBondContact O-N 2.99Å; L398-S402 PolarHBondContact O-OG 3.36Å
399I95.9Very high95.5Very high4 Ų45.6 Ų5.62%0.0213%0.032CC..Hα-helixtrans-60.4-50.1176.5-68.2170.2000109.7N102 N395 Q396 L401 S402 T403N102-I399 HydrophobicContact CB-CG2 3.83Å; N395-I399 WeakPolarHBondContact O-CG1 3.44Å; N395-I399 PolarHBondContact O-N 2.89Å; Q396-I399 PolarHBondContact O-N 3.39Å; I399-L401 PolarHBondContact O-N 3.46Å; I399-S402 PolarHBondContact O-N 2.9Å; I399-S402 VanDerWaalsContact O-N 3.16Å; I399-S402 PolarHBondContact O-OG 2.97Å; I399-T403 WeakPolarHBondContact O-CG2 3.42Å; I399-T403 PolarHBondContact O-N 3.49Å; I399-T403 PolarHBondContact O-OG1 3.32Å
400L96.4Very high95.1Very high1 Ų17 Ų71%0.0054%0.038CC..Hα-helixtrans-63.7-40.2-179.8-177.862.6000113.1F106 I207 T211 Q396 S402 T403 T404 I430 I433 I434F106-L400 HydrophobicContact CD2-CB 4.18Å; F106-L400 HydrophobicContact CE2-CB 3.73Å; F106-L400 HydrophobicContact CE2-CD1 4.38Å; F106-L400 HydrophobicContact CE2-CD2 3.99Å; F106-L400 HydrophobicContact CE2-CG 4.24Å; F106-L400 HydrophobicContact CZ-CB 4.49Å; F106-L400 HydrophobicContact CZ-CD1 4.49Å; F106-L400 HydrophobicContact CZ-CD2 3.95Å; I207-L400 HydrophobicContact CG2-CD2 3.75Å; T211-L400 HydrophobicContact CG2-CB 4.43Å; T211-L400 HydrophobicContact CG2-CD2 4.1Å; T211-L400 HydrophobicContact CG2-CG 4.48Å; Q396-L400 WeakPolarHBondContact O-CB 3.36Å; Q396-L400 PolarHBondContact O-N 3.09Å; L400-S402 VanDerWaalsContact C-N 3.32Å; L400-T403 WeakPolarHBondContact CA-OG1 3.47Å; L400-T403 PolarHBondContact O-N 3.39Å; L400-T403 PolarHBondContact O-OG1 2.8Å; L400-T404 VanDerWaalsContact O-CB 3.29Å; L400-T404 WeakPolarHBondContact O-CB 3.37Å; L400-T404 PolarHBondContact O-N 2.87Å; L400-T404 PolarHBondContact O-OG1 3.5Å; L400-I430 HydrophobicContact CD2-CG2 4.5Å; L400-I433 HydrophobicContact CD1-CG2 3.74Å; L400-I434 HydrophobicContact CD2-CD1 3.7Å; L400-I434 HydrophobicContact CD2-CG1 3.78Å
401L95.2Very high94.6Very high1 Ų111.1 Ų11.11%0.0056%0.06CC..Hα-helixtrans-59.3-47173.717561.3000110.1W18 P215 F218 L309 A397 L398 I399 T404 E405 Y426W18-L401 HydrophobicContact CH2-CD2 4.16Å; W18-L401 HydrophobicContact CZ2-CD2 3.96Å; P215-L401 HydrophobicContact CB-CD1 4.02Å; P215-L401 HydrophobicContact CB-CD2 4.29Å; P215-L401 HydrophobicContact CG-CD1 4.44Å; F218-L401 HydrophobicContact CB-CD2 4.44Å; F218-L401 HydrophobicContact CD1-CD2 3.66Å; F218-L401 HydrophobicContact CE1-CD2 4.18Å; F218-L401 HydrophobicContact CG-CD2 4.17Å; L309-L401 HydrophobicContact CD1-CD2 4.5Å; A397-L401 WeakPolarHBondContact O-CB 3.38Å; A397-L401 PolarHBondContact O-N 3.31Å; L398-L401 PolarHBondContact O-N 2.82Å; I399-L401 PolarHBondContact O-N 3.46Å; L401-T404 PolarHBondContact O-N 3.27Å; L401-E405 HydrophobicContact CD1-CG 4.23Å; L401-E405 WeakPolarHBondContact O-CB 3.22Å; L401-E405 VanDerWaalsContact O-CG 3.28Å; L401-E405 WeakPolarHBondContact O-CG 3.45Å; L401-E405 PolarHBondContact O-N 3.2Å; L401-Y426 WeakPolarHBondContact CD1-OH 3.26Å
402S94.9Very high93.9Very high0 Ų013.3 Ų13.30%07%0.073CC..Hα-helixtrans-63.6-45.4-18076.70000112.6L398 I399 L400 T404 E405 H406L398-S402 WeakPolarHBondContact O-CB 3.27Å; L398-S402 PolarHBondContact O-N 2.99Å; L398-S402 PolarHBondContact O-OG 3.36Å; I399-S402 PolarHBondContact O-N 2.9Å; I399-S402 VanDerWaalsContact O-N 3.16Å; I399-S402 PolarHBondContact O-OG 2.97Å; L400-S402 VanDerWaalsContact C-N 3.32Å; S402-T404 PolarHBondContact O-N 2.86Å; S402-E405 PolarHBondContact O-N 3.45Å; S402-H406 PolarHBondContact O-CD2 2.95Å; S402-H406 PolarHBondContact O-N 3.47Å; S402-H406 VanDerWaalsContact O-N 3.13Å; S402-H406 PolarHBondContact O-NE2 3.35Å
403T95.2Very high92.4Very high2 Ų215.3 Ų15.31%0.0129%0.085CC..Hα-helixtrans-64.1-42178.650.30000111.7N102 I399 L400 H406 I407N102-T403 HydrophobicContact CB-CG2 3.3Å; N102-T403 VanDerWaalsContact ND2-CG2 3.32Å; N102-T403 WeakPolarHBondContact ND2-CG2 3.46Å; I399-T403 WeakPolarHBondContact O-CG2 3.42Å; I399-T403 PolarHBondContact O-N 3.49Å; I399-T403 PolarHBondContact O-OG1 3.32Å; L400-T403 WeakPolarHBondContact CA-OG1 3.47Å; L400-T403 PolarHBondContact O-N 3.39Å; L400-T403 PolarHBondContact O-OG1 2.8Å; T403-H406 PolarHBondContact O-N 2.88Å; T403-I407 VanDerWaalsContact O-CG1 3.31Å; T403-I407 WeakPolarHBondContact O-CG1 3.4Å; T403-I407 PolarHBondContact O-N 3.36Å
404T94.8Very high90.4Very high0 Ų021 Ų210%012%0.116CC..Hα-helixtrans-64.6-43.7179.3-55.70000110.7L400 L401 S402 H406 I407 V408 Y426 I430L400-T404 VanDerWaalsContact O-CB 3.29Å; L400-T404 WeakPolarHBondContact O-CB 3.37Å; L400-T404 PolarHBondContact O-N 2.87Å; L400-T404 PolarHBondContact O-OG1 3.5Å; L401-T404 PolarHBondContact O-N 3.27Å; S402-T404 PolarHBondContact O-N 2.86Å; T404-H406 VanDerWaalsContact C-N 3.28Å; T404-H406 PolarHBondContact O-N 3.19Å; T404-I407 PolarHBondContact O-N 3.01Å; T404-V408 HydrophobicContact CG2-CG2 3.8Å; T404-V408 VanDerWaalsContact O-CB 3.3Å; T404-V408 WeakPolarHBondContact O-CB 3.44Å; T404-V408 WeakPolarHBondContact O-CG2 3.34Å; T404-V408 PolarHBondContact O-N 3.4Å; T404-Y426 HydrophobicContact CG2-CD2 3.67Å; T404-Y426 HydrophobicContact CG2-CE2 3.49Å; T404-Y426 VanDerWaalsContact CG2-CE2 3.49Å; T404-Y426 HydrophobicContact CG2-CG 4.26Å; T404-I430 HydrophobicContact CG2-CD1 4.25Å; T404-I430 HydrophobicContact CG2-CG1 3.6Å
405E93.1Very high88.3Confident5 Ų526.5 Ų26.52%0.02315%0.145CC..Hα-helixtrans-59.9-36.9176.2-77.8-70.7151.500112.8T305 K308 L401 S402 G409 Y422 Y426T305-E405 HydrophobicContact CG2-CB 3.93Å; T305-E405 HydrophobicContact CG2-CG 3.85Å; K308-E405 IonicContact NZ-OE2 3.59Å; K308-E405 PolarHBondContact NZ-OE2 3.06Å; L401-E405 HydrophobicContact CD1-CG 4.23Å; L401-E405 WeakPolarHBondContact O-CB 3.22Å; L401-E405 VanDerWaalsContact O-CG 3.28Å; L401-E405 WeakPolarHBondContact O-CG 3.45Å; L401-E405 PolarHBondContact O-N 3.2Å; S402-E405 PolarHBondContact O-N 3.45Å; E405-G409 WeakPolarHBondContact O-CA 3.5Å; E405-G409 PolarHBondContact O-N 2.94Å; E405-Y422 PolarHBondContact OE2-OH 2.88Å; E405-Y426 HydrophobicContact CG-CE2 4.38Å; E405-Y426 WeakPolarHBondContact OE1-CE2 3.31Å
406H93.5Very high86.4Confident1 Ų136 Ų361%0.00519%0.189CC..Hα-helixtrans-69.5-48.2175.5-64.7-41.8000111.8I80 L81 V99 G301 T305 S402 T403 T404 H410I80-H406 HydrophobicContact CG2-CB 4.42Å; I80-H406 WeakPolarHBondContact CG2-ND1 3.25Å; I80-H406 PolarHBondContact N-ND1 3.2Å; I80-H406 VanDerWaalsContact N-ND1 3.11Å; L81-H406 HydrophobicContact CD1-CB 4.14Å; L81-H406 HydrophobicContact CG-CB 4.45Å; V99-H406 HydrophobicContact CG2-CB 4.27Å; G301-H406 PolarHBondContact O-CE1 3.25Å; G301-H406 PolarHBondContact O-NE2 3.11Å; T305-H406 PolarHBondContact OG1-CE1 3.18Å; T305-H406 VanDerWaalsContact OG1-CE1 3.23Å; T305-H406 PolarHBondContact OG1-NE2 3.25Å; S402-H406 PolarHBondContact O-CD2 2.95Å; S402-H406 PolarHBondContact O-N 3.47Å; S402-H406 VanDerWaalsContact O-N 3.13Å; S402-H406 PolarHBondContact O-NE2 3.35Å; T403-H406 PolarHBondContact O-N 2.88Å; T404-H406 VanDerWaalsContact C-N 3.28Å; T404-H406 PolarHBondContact O-N 3.19Å; H406-H410 PolarHBondContact O-N 3.29Å; H406-H410 VanDerWaalsContact O-N 3.07Å
407I93.3Very high84.4Confident38 Ų3844.5 Ų44.520%0.19523%0.226CC..Hα-helixtrans-64.4-52.2-178.9-67.2164.8000110.7V99 F103 T403 T404 G409 H410 L411 I433V99-I407 HydrophobicContact CG1-CD1 4Å; V99-I407 HydrophobicContact CG1-CG1 4.15Å; F103-I407 HydrophobicContact CE1-CD1 4.32Å; F103-I407 HydrophobicContact CZ-CD1 3.88Å; T403-I407 VanDerWaalsContact O-CG1 3.31Å; T403-I407 WeakPolarHBondContact O-CG1 3.4Å; T403-I407 PolarHBondContact O-N 3.36Å; T404-I407 PolarHBondContact O-N 3.01Å; I407-G409 VanDerWaalsContact C-N 3.31Å; I407-G409 PolarHBondContact O-N 2.72Å; I407-H410 PolarHBondContact O-N 2.8Å; I407-H410 VanDerWaalsContact O-N 3.15Å; I407-L411 HydrophobicContact CG2-CD1 3.9Å; I407-L411 HydrophobicContact CG2-CG 4.4Å; I407-L411 WeakPolarHBondContact O-CG 3.36Å; I407-L411 PolarHBondContact O-N 3.26Å; I407-I433 HydrophobicContact CD1-CD1 3.64Å
408V92.5Very high83.1Confident0 Ų049.9 Ų49.90%025%0.247CC..Hα-helixtrans-65.2-38.3-178.9179.20000110.6T404 H410 L411 V412 Y422 V425 Y426T404-V408 HydrophobicContact CG2-CG2 3.8Å; T404-V408 VanDerWaalsContact O-CB 3.3Å; T404-V408 WeakPolarHBondContact O-CB 3.44Å; T404-V408 WeakPolarHBondContact O-CG2 3.34Å; T404-V408 PolarHBondContact O-N 3.4Å; V408-H410 VanDerWaalsContact C-N 3.28Å; V408-H410 PolarHBondContact O-N 2.93Å; V408-L411 PolarHBondContact O-N 2.92Å; V408-V412 HydrophobicContact CG1-CG2 4.33Å; V408-V412 PolarHBondContact O-N 3.42Å; V408-Y422 HydrophobicContact CB-CE2 4.47Å; V408-Y422 HydrophobicContact CG1-CD2 3.9Å; V408-Y422 HydrophobicContact CG1-CE2 3.49Å; V408-Y422 VanDerWaalsContact CG1-CE2 3.49Å; V408-V425 HydrophobicContact CG1-CG1 4.18Å; V408-Y426 HydrophobicContact CG2-CD2 4.16Å
409G88.8Confident82.3Confident11 Ų1154.9 Ų54.911%0.11327%0.271CS..Hα-helixtrans-59.5-38174.200000112.9V82 E405 I407V82-G409 WeakPolarHBondContact CG2-O 3.39Å; E405-G409 WeakPolarHBondContact O-CA 3.5Å; E405-G409 PolarHBondContact O-N 2.94Å; I407-G409 VanDerWaalsContact C-N 3.31Å; I407-G409 PolarHBondContact O-N 2.72Å
410H88.6Confident81.7Confident32 Ų3260.7 Ų60.715%0.14830%0.302CS..Hα-helixtrans-75.1-37.9174.9176.9-82.6000112.8L81 V82 E85 H406 I407 V408 T413 M565 R569L81-H410 HydrophobicContact CB-CB 4.2Å; L81-H410 HydrophobicContact CD1-CB 4.07Å; V82-H410 HydrophobicContact CG2-CB 4.45Å; E85-H410 IonicContact OE2-CD2 3.85Å; E85-H410 IonicContact OE2-NE2 2.78Å; H406-H410 PolarHBondContact O-N 3.29Å; H406-H410 VanDerWaalsContact O-N 3.07Å; I407-H410 PolarHBondContact O-N 2.8Å; I407-H410 VanDerWaalsContact O-N 3.15Å; V408-H410 VanDerWaalsContact C-N 3.28Å; V408-H410 PolarHBondContact O-N 2.93Å; H410-T413 PolarHBondContact O-OG1 3.15Å; H410-M565 WeakPolarHBondContact CE1-CE 3.39Å; H410-M565 WeakPolarHBondContact NE2-CE 3.43Å; H410-R569 PolarHBondContact CD2-NH2 2.87Å; H410-R569 PolarHBondContact NE2-NE 3.09Å; H410-R569 VanDerWaalsContact NE2-NE 3.17Å; H410-R569 PolarHBondContact NE2-NH2 3.43Å; H410-R569 PolarHBondContact O-NH2 3.49Å
411L87.1Confident81.1Confident108 Ų10865.3 Ų65.357%0.56532%0.323SS*.Hα-helixtrans-69.2-36.7179.3-68.9174.6000112.5I407 V408I407-L411 HydrophobicContact CG2-CD1 3.9Å; I407-L411 HydrophobicContact CG2-CG 4.4Å; I407-L411 WeakPolarHBondContact O-CG 3.36Å; I407-L411 PolarHBondContact O-N 3.26Å; V408-L411 PolarHBondContact O-N 2.92Å
412V83.6Confident80.8Confident48 Ų4868 Ų6829%0.29133%0.334SS..SBendtrans-106.671.2-178.6-171.50000108.9V408 Y422 V425V408-V412 HydrophobicContact CG1-CG2 4.33Å; V408-V412 PolarHBondContact O-N 3.42Å; V412-Y422 HydrophobicContact CB-CD2 4.31Å; V412-Y422 HydrophobicContact CG1-CD2 4.36Å; V412-V425 HydrophobicContact CG2-CB 4.35Å; V412-V425 HydrophobicContact CG2-CG1 4.18Å; V412-V425 HydrophobicContact CG2-CG2 4.36Å
413T65.5Low80.5Confident44 Ų4471.8 Ų71.827%0.2735%0.35SS..  trans-83.7-17-171-620000115.1H410 R569H410-T413 PolarHBondContact O-OG1 3.15Å; T413-R569 PolarHBondContact OG1-NH2 3.02Å
414N55.6Low80.2Confident133 Ų13380.8 Ų80.871%0.71138%0.384SS*.SBendtrans-149.119.7-160.9-104.9-16.2000121
415N53.5Low80.1Confident115 Ų11583 Ų8362%0.61540%0.398SS*.  trans-134.5103.1176.8-72.3-35.2000113.4K417 Y418N415-K417 PolarHBondContact O-N 3.16Å; N415-K417 VanDerWaalsContact O-N 3.11Å; N415-Y418 HydrophobicContact CB-CD2 3.84Å; N415-Y418 HydrophobicContact CB-CE2 4.25Å
416E56.9Low80.1Confident207 Ų20783.2 Ų83.297%0.96740%0.398SS*.THydrogen-bonded Turntrans-58.2-20171.7-67.7-177.5160.600113.3Y418E416-Y418 VanDerWaalsContact C-N 3.25Å; E416-Y418 PolarHBondContact O-N 3.16Å
417K56.4Low80.1Confident185 Ų18589.8 Ų89.880%0.80442%0.423SS*.THydrogen-bonded Turntrans-73.4-0.8-174.9-89-173.7177-179.30116N415N415-K417 PolarHBondContact O-N 3.16Å; N415-K417 VanDerWaalsContact O-N 3.11Å
418Y68.5Low80.1Confident112 Ų11291 Ų9144%0.43943%0.434SS..  trans-138.262.9-170.7-55.8-76000114.9N415 E416 D420 Q421 Y422N415-Y418 HydrophobicContact CB-CD2 3.84Å; N415-Y418 HydrophobicContact CB-CE2 4.25Å; E416-Y418 VanDerWaalsContact C-N 3.25Å; E416-Y418 PolarHBondContact O-N 3.16Å; Y418-D420 PolarHBondContact O-N 3.31Å; Y418-Q421 VanDerWaalsContact CB-CD 3.47Å; Y418-Q421 VanDerWaalsContact CB-OE1 3.3Å; Y418-Q421 HydrophobicContact CD1-CG 4.09Å; Y418-Q421 HydrophobicContact CG-CG 4.04Å; Y418-Q421 VanDerWaalsContact CG-OE1 3.26Å; Y418-Q421 PolarHBondContact O-N 3.08Å; Y418-Q421 VanDerWaalsContact O-N 3.14Å; Y418-Y422 PolarHBondContact O-N 3.4Å; Y418-Y422 VanDerWaalsContact O-N 3.1Å
419E78.6Confident80.2Confident106 Ų10691.7 Ų91.750%0.49544%0.439SS..Hα-helixtrans-54.9-35.3170.4-168.1-174.3152.100111.9R216 Y422 K423R216-E419 IonicContact NH2-OE1 3.74Å; E419-Y422 WeakPolarHBondContact O-CB 3.38Å; E419-Y422 PolarHBondContact O-N 3.45Å; E419-K423 PolarHBondContact O-N 2.99Å; E419-K423 VanDerWaalsContact O-N 3.09Å; E419-K423 VanDerWaalsContact OE1-CE 3.24Å; E419-K423 WeakPolarHBondContact OE1-CE 3.28Å; E419-K423 IonicContact OE1-NZ 2.81Å; E419-K423 PolarHBondContact OE1-NZ 3.5Å
420D83.4Confident80.5Confident126 Ų12691.1 Ų91.167%0.67443%0.433SS*.Hα-helixtrans-70.9-35.4178.8-65.8-28.7000113Y418 Y422 K423 R424Y418-D420 PolarHBondContact O-N 3.31Å; D420-Y422 VanDerWaalsContact C-N 3.34Å; D420-K423 PolarHBondContact O-N 3.49Å; D420-R424 PolarHBondContact O-N 3.14Å
421Q85.4Confident80.9Confident97 Ų9793 Ų9345%0.45344%0.443SS..Hα-helixtrans-66.3-40.9173-68.4178.9-5.800110.5Y418 K423 R424 V425Y418-Q421 VanDerWaalsContact CB-CD 3.47Å; Y418-Q421 VanDerWaalsContact CB-OE1 3.3Å; Y418-Q421 HydrophobicContact CD1-CG 4.09Å; Y418-Q421 HydrophobicContact CG-CG 4.04Å; Y418-Q421 VanDerWaalsContact CG-OE1 3.26Å; Y418-Q421 PolarHBondContact O-N 3.08Å; Y418-Q421 VanDerWaalsContact O-N 3.14Å; Q421-K423 VanDerWaalsContact C-N 3.34Å; Q421-K423 PolarHBondContact O-N 3.09Å; Q421-R424 PolarHBondContact O-N 2.99Å; Q421-V425 WeakPolarHBondContact O-CG2 3.36Å; Q421-V425 PolarHBondContact O-N 3.38Å
422Y87.2Confident81.3Confident59 Ų5993.5 Ų93.523%0.23145%0.446CS..Hα-helixtrans-57.1-47.6175.7-175.3-90.4000111.3E405 V408 V412 Y418 E419 D420 R424 V425 Y426E405-Y422 PolarHBondContact OE2-OH 2.88Å; V408-Y422 HydrophobicContact CB-CE2 4.47Å; V408-Y422 HydrophobicContact CG1-CD2 3.9Å; V408-Y422 HydrophobicContact CG1-CE2 3.49Å; V408-Y422 VanDerWaalsContact CG1-CE2 3.49Å; V412-Y422 HydrophobicContact CB-CD2 4.31Å; V412-Y422 HydrophobicContact CG1-CD2 4.36Å; Y418-Y422 PolarHBondContact O-N 3.4Å; Y418-Y422 VanDerWaalsContact O-N 3.1Å; E419-Y422 WeakPolarHBondContact O-CB 3.38Å; E419-Y422 PolarHBondContact O-N 3.45Å; D420-Y422 VanDerWaalsContact C-N 3.34Å; Y422-R424 PolarHBondContact O-N 2.87Å; Y422-V425 PolarHBondContact O-N 3.28Å; Y422-Y426 WeakPolarHBondContact O-CB 3.27Å; Y422-Y426 PolarHBondContact O-N 2.96Å
423K88.8Confident81.9Confident78 Ų7892.1 Ų92.134%0.33944%0.437SS..Hα-helixtrans-61.4-40.1176.6-71.4171.9-172.9154.20112.7E419 D420 Q421 R427E419-K423 PolarHBondContact O-N 2.99Å; E419-K423 VanDerWaalsContact O-N 3.09Å; E419-K423 VanDerWaalsContact OE1-CE 3.24Å; E419-K423 WeakPolarHBondContact OE1-CE 3.28Å; E419-K423 IonicContact OE1-NZ 2.81Å; E419-K423 PolarHBondContact OE1-NZ 3.5Å; D420-K423 PolarHBondContact O-N 3.49Å; Q421-K423 VanDerWaalsContact C-N 3.34Å; Q421-K423 PolarHBondContact O-N 3.09Å; K423-R427 WeakPolarHBondContact O-CG 3.41Å; K423-R427 PolarHBondContact O-N 2.91Å; K423-R427 VanDerWaalsContact O-N 3.11Å
424R90.1Very high83.4Confident192 Ų19290.7 Ų90.773%0.72543%0.427SS*.Hα-helixtrans-67.3-50.1178.9-173.2177.6179.6179.90.1111.6D420 Q421 Y422 Y426 R427 C428D420-R424 PolarHBondContact O-N 3.14Å; Q421-R424 PolarHBondContact O-N 2.99Å; Y422-R424 PolarHBondContact O-N 2.87Å; R424-Y426 VanDerWaalsContact C-N 3.29Å; R424-Y426 PolarHBondContact O-N 3.02Å; R424-R427 PolarHBondContact O-N 3.18Å; R424-C428 PolarHBondContact O-N 2.69Å; R424-C428 PolarHBondContact O-SG 2.94Å; R424-C428 VanDerWaalsContact O-SG 3.35Å
425V91.9Very high85.3Confident47 Ų4789.7 Ų89.729%0.28542%0.421SS..Hα-helixtrans-59.8-44.4177.4175.30000109.8V408 V412 Q421 Y422 R427 C428 S429V408-V425 HydrophobicContact CG1-CG1 4.18Å; V412-V425 HydrophobicContact CG2-CB 4.35Å; V412-V425 HydrophobicContact CG2-CG1 4.18Å; V412-V425 HydrophobicContact CG2-CG2 4.36Å; Q421-V425 WeakPolarHBondContact O-CG2 3.36Å; Q421-V425 PolarHBondContact O-N 3.38Å; Y422-V425 PolarHBondContact O-N 3.28Å; V425-R427 PolarHBondContact O-N 3.44Å; V425-C428 PolarHBondContact O-N 3.42Å; V425-S429 WeakPolarHBondContact O-CB 3.23Å; V425-S429 PolarHBondContact O-N 2.92Å; V425-S429 PolarHBondContact O-OG 3.45Å
426Y92.6Very high87.3Confident9 Ų988.8 Ų88.84%0.03542%0.416CS..Hα-helixtrans-55.4-50177.2-178.2-84.1000112.9L401 T404 E405 V408 Y422 R424 S429 I430L401-Y426 WeakPolarHBondContact CD1-OH 3.26Å; T404-Y426 HydrophobicContact CG2-CD2 3.67Å; T404-Y426 HydrophobicContact CG2-CE2 3.49Å; T404-Y426 VanDerWaalsContact CG2-CE2 3.49Å; T404-Y426 HydrophobicContact CG2-CG 4.26Å; E405-Y426 HydrophobicContact CG-CE2 4.38Å; E405-Y426 WeakPolarHBondContact OE1-CE2 3.31Å; V408-Y426 HydrophobicContact CG2-CD2 4.16Å; Y422-Y426 WeakPolarHBondContact O-CB 3.27Å; Y422-Y426 PolarHBondContact O-N 2.96Å; R424-Y426 VanDerWaalsContact C-N 3.29Å; R424-Y426 PolarHBondContact O-N 3.02Å; Y426-S429 PolarHBondContact O-N 3.09Å; Y426-I430 HydrophobicContact CD1-CD1 3.97Å; Y426-I430 HydrophobicContact CE1-CD1 3.23Å; Y426-I430 HydrophobicContact CE1-CG1 4.16Å; Y426-I430 PolarHBondContact O-N 3.45Å
427R93.9Very high89.2Confident139 Ų13979 Ų7953%0.52537%0.37SS..Hα-helixtrans-64-43.2178.3-71.7175.8-178.6174.81.6112.2K423 R424 V425 S429 I430 I431K423-R427 WeakPolarHBondContact O-CG 3.41Å; K423-R427 PolarHBondContact O-N 2.91Å; K423-R427 VanDerWaalsContact O-N 3.11Å; R424-R427 PolarHBondContact O-N 3.18Å; V425-R427 PolarHBondContact O-N 3.44Å; R427-S429 VanDerWaalsContact C-N 3.35Å; R427-I430 PolarHBondContact O-N 2.9Å; R427-I431 WeakPolarHBondContact O-CG1 3.22Å; R427-I431 PolarHBondContact O-N 3.45Å
428C94.5Very high91Very high62 Ų6271 Ų7142%0.41934%0.339SS..Hα-helixtrans-62.7-41.6176.5-69.30000111.9R424 V425 I431 L432R424-C428 PolarHBondContact O-N 2.69Å; R424-C428 PolarHBondContact O-SG 2.94Å; R424-C428 VanDerWaalsContact O-SG 3.35Å; V425-C428 PolarHBondContact O-N 3.42Å; C428-I431 PolarHBondContact O-N 3.34Å; C428-L432 WeakPolarHBondContact O-CB 3.1Å; C428-L432 WeakPolarHBondContact O-CG 3.36Å; C428-L432 PolarHBondContact O-N 2.7Å
429S94.2Very high92.2Very high15 Ų1572 Ų7211%0.10535%0.351CS..Hα-helixtrans-62.3-44177.3-65.10000111.9V425 Y426 R427 I431 L432 I433V425-S429 WeakPolarHBondContact O-CB 3.23Å; V425-S429 PolarHBondContact O-N 2.92Å; V425-S429 PolarHBondContact O-OG 3.45Å; Y426-S429 PolarHBondContact O-N 3.09Å; R427-S429 VanDerWaalsContact C-N 3.35Å; S429-I431 PolarHBondContact O-N 2.78Å; S429-L432 PolarHBondContact O-N 3.43Å; S429-I433 WeakPolarHBondContact O-CB 3.31Å; S429-I433 WeakPolarHBondContact O-CD1 3.24Å; S429-I433 WeakPolarHBondContact O-CG1 3.25Å; S429-I433 PolarHBondContact O-N 3.45Å
430I95.2Very high92.9Very high0 Ų071.9 Ų71.90%035%0.354CS..Hα-helixtrans-59.1-49.6176-71.3-176.9000111.1F208 T211 L400 T404 Y426 R427 L432 I433 I434F208-I430 HydrophobicContact CD2-CG2 4Å; F208-I430 HydrophobicContact CE2-CG2 4.32Å; T211-I430 VanDerWaalsContact O-CD1 3.32Å; T211-I430 WeakPolarHBondContact O-CD1 3.5Å; L400-I430 HydrophobicContact CD2-CG2 4.5Å; T404-I430 HydrophobicContact CG2-CD1 4.25Å; T404-I430 HydrophobicContact CG2-CG1 3.6Å; Y426-I430 HydrophobicContact CD1-CD1 3.97Å; Y426-I430 HydrophobicContact CE1-CD1 3.23Å; Y426-I430 HydrophobicContact CE1-CG1 4.16Å; Y426-I430 PolarHBondContact O-N 3.45Å; R427-I430 PolarHBondContact O-N 2.9Å; I430-L432 VanDerWaalsContact C-N 3.32Å; I430-L432 PolarHBondContact O-N 3.46Å; I430-I433 PolarHBondContact O-N 3.35Å; I430-I434 HydrophobicContact CG2-CD1 3.74Å; I430-I434 HydrophobicContact CG2-CG1 4.33Å; I430-I434 WeakPolarHBondContact O-CB 3.34Å; I430-I434 WeakPolarHBondContact O-CG1 3.43Å; I430-I434 PolarHBondContact O-N 2.81Å
431I95.7Very high93.4Very high70 Ų7065.9 Ų65.936%0.35932%0.322SS..Hα-helixtrans-59.2-47.1-178.2-67.1166.5000110.1F208 R427 C428 S429 I434 L435F208-I431 HydrophobicContact CE2-CD1 4.42Å; F208-I431 HydrophobicContact CE2-CG1 3.6Å; F208-I431 HydrophobicContact CZ-CD1 4.49Å; F208-I431 HydrophobicContact CZ-CG1 4.08Å; R427-I431 WeakPolarHBondContact O-CG1 3.22Å; R427-I431 PolarHBondContact O-N 3.45Å; C428-I431 PolarHBondContact O-N 3.34Å; S429-I431 PolarHBondContact O-N 2.78Å; I431-I434 PolarHBondContact O-N 3.23Å; I431-L435 HydrophobicContact CG2-CD1 3.81Å; I431-L435 HydrophobicContact CG2-CG 4.45Å; I431-L435 WeakPolarHBondContact O-CB 3.39Å; I431-L435 VanDerWaalsContact O-CG 3.27Å; I431-L435 WeakPolarHBondContact O-CG 3.44Å; I431-L435 PolarHBondContact O-N 3.16Å
432L95.8Very high93.6Very high120 Ų12063.3 Ų63.363%0.62831%0.312SS*.Hα-helixtrans-63.3-45.6178.5-76.7169.6000112.5C428 S429 I430 L435 L436C428-L432 WeakPolarHBondContact O-CB 3.1Å; C428-L432 WeakPolarHBondContact O-CG 3.36Å; C428-L432 PolarHBondContact O-N 2.7Å; S429-L432 PolarHBondContact O-N 3.43Å; I430-L432 VanDerWaalsContact C-N 3.32Å; I430-L432 PolarHBondContact O-N 3.46Å; L432-L435 PolarHBondContact O-N 2.97Å; L432-L436 VanDerWaalsContact O-CB 3.22Å; L432-L436 WeakPolarHBondContact O-CB 3.07Å; L432-L436 PolarHBondContact O-N 2.93Å
433I96.3Very high93.6Very high18 Ų1863.3 Ų63.39%0.09232%0.32CS..Hα-helixtrans-62.8-46.5179.4-69.2164.8000110.1F103 L400 I407 S429 I430 L436 L437F103-I433 HydrophobicContact CE1-CG2 3.96Å; L400-I433 HydrophobicContact CD1-CG2 3.74Å; I407-I433 HydrophobicContact CD1-CD1 3.64Å; S429-I433 WeakPolarHBondContact O-CB 3.31Å; S429-I433 WeakPolarHBondContact O-CD1 3.24Å; S429-I433 WeakPolarHBondContact O-CG1 3.25Å; S429-I433 PolarHBondContact O-N 3.45Å; I430-I433 PolarHBondContact O-N 3.35Å; I433-L436 PolarHBondContact O-N 3.36Å; I433-L437 HydrophobicContact CG2-CD1 3.55Å; I433-L437 HydrophobicContact CG2-CG 4.16Å; I433-L437 WeakPolarHBondContact O-CB 3.49Å; I433-L437 WeakPolarHBondContact O-CG 3.29Å; I433-L437 PolarHBondContact O-N 2.93Å
434I96.6Very high93.7Very high14 Ų1460 Ų607%0.07231%0.306CS..Hα-helixtrans-61.8-47.5178.9-77.5-179000111.4F204 F208 L400 I430 I431 L436 L437 A438F204-I434 HydrophobicContact CB-CG2 4.48Å; F204-I434 HydrophobicContact CD1-CG2 4Å; F208-I434 HydrophobicContact CB-CD1 3.63Å; F208-I434 HydrophobicContact CD2-CD1 3.82Å; F208-I434 HydrophobicContact CG-CD1 4.21Å; L400-I434 HydrophobicContact CD2-CD1 3.7Å; L400-I434 HydrophobicContact CD2-CG1 3.78Å; I430-I434 HydrophobicContact CG2-CD1 3.74Å; I430-I434 HydrophobicContact CG2-CG1 4.33Å; I430-I434 WeakPolarHBondContact O-CB 3.34Å; I430-I434 WeakPolarHBondContact O-CG1 3.43Å; I430-I434 PolarHBondContact O-N 2.81Å; I431-I434 PolarHBondContact O-N 3.23Å; I434-L436 VanDerWaalsContact C-N 3.33Å; I434-L436 PolarHBondContact O-N 3.46Å; I434-L437 PolarHBondContact O-N 2.89Å; I434-A438 WeakPolarHBondContact O-CB 3.06Å; I434-A438 PolarHBondContact O-N 3.5Å
435L95.9Very high93.6Very high112 Ų11251.1 Ų51.159%0.58627%0.272SS*.Hα-helixtrans-62.3-42.3179.2-72.5172.4000111.6I431 L432 L439I431-L435 HydrophobicContact CG2-CD1 3.81Å; I431-L435 HydrophobicContact CG2-CG 4.45Å; I431-L435 WeakPolarHBondContact O-CB 3.39Å; I431-L435 VanDerWaalsContact O-CG 3.27Å; I431-L435 WeakPolarHBondContact O-CG 3.44Å; I431-L435 PolarHBondContact O-N 3.16Å; L432-L435 PolarHBondContact O-N 2.97Å; L435-L439 WeakPolarHBondContact O-CB 3.36Å; L435-L439 PolarHBondContact O-N 2.88Å; L435-L439 VanDerWaalsContact O-N 3.09Å
436L96.1Very high93.4Very high96 Ų9649.7 Ų49.750%0.50326%0.264SS..Hα-helixtrans-65-45.5178-177.7149.1000111.6L432 I433 I434 L439 L440L432-L436 VanDerWaalsContact O-CB 3.22Å; L432-L436 WeakPolarHBondContact O-CB 3.07Å; L432-L436 PolarHBondContact O-N 2.93Å; I433-L436 PolarHBondContact O-N 3.36Å; I434-L436 VanDerWaalsContact C-N 3.33Å; I434-L436 PolarHBondContact O-N 3.46Å; L436-L439 PolarHBondContact O-N 2.85Å; L436-L440 HydrophobicContact CD2-CD1 3.53Å; L436-L440 HydrophobicContact CD2-CG 4.32Å; L436-L440 HydrophobicContact CG-CD1 4.41Å; L436-L440 WeakPolarHBondContact O-CG 3.5Å; L436-L440 PolarHBondContact O-N 3.3Å
437L96.1Very high93Very high1 Ų151.2 Ų51.21%0.00527%0.271CS..Hα-helixtrans-72.3-33.3179.8-63.7177.6000112.3F103 F106 I107 F204 I433 I434 L439 L440 G441F103-L437 HydrophobicContact CB-CD1 4.47Å; F103-L437 HydrophobicContact CB-CD2 3.61Å; F103-L437 HydrophobicContact CD1-CD1 3.79Å; F103-L437 HydrophobicContact CD1-CD2 4.11Å; F103-L437 HydrophobicContact CD1-CG 4.49Å; F103-L437 HydrophobicContact CD2-CD2 4.47Å; F103-L437 HydrophobicContact CE1-CD1 4.41Å; F103-L437 HydrophobicContact CG-CD1 4.35Å; F103-L437 HydrophobicContact CG-CD2 3.84Å; F106-L437 HydrophobicContact CB-CD1 4.11Å; F106-L437 HydrophobicContact CD1-CB 3.93Å; F106-L437 HydrophobicContact CD1-CD1 3.32Å; F106-L437 HydrophobicContact CD1-CG 4.24Å; F106-L437 HydrophobicContact CE1-CB 4.23Å; F106-L437 HydrophobicContact CE1-CD1 3.93Å; F106-L437 HydrophobicContact CG-CD1 3.9Å; I107-L437 HydrophobicContact CD1-CD2 3.99Å; I107-L437 HydrophobicContact CG1-CB 4.2Å; I107-L437 HydrophobicContact CG1-CD2 4.18Å; F204-L437 HydrophobicContact CE1-CB 4.39Å; I433-L437 HydrophobicContact CG2-CD1 3.55Å; I433-L437 HydrophobicContact CG2-CG 4.16Å; I433-L437 WeakPolarHBondContact O-CB 3.49Å; I433-L437 WeakPolarHBondContact O-CG 3.29Å; I433-L437 PolarHBondContact O-N 2.93Å; I434-L437 PolarHBondContact O-N 2.89Å; L437-L439 VanDerWaalsContact C-N 3.32Å; L437-L440 HydrophobicContact CD2-CD1 4.49Å; L437-L440 PolarHBondContact O-N 3.43Å; L437-G441 PolarHBondContact O-N 2.97Å
438A95Very high92.6Very high19 Ų1944.7 Ų44.716%0.15725%0.247CC..Hα-helixtrans-62.4-41.217300000111.3Y200 F204 I434 G441 V442Y200-A438 PolarHBondContact OH-O 3.29Å; F204-A438 HydrophobicContact CD1-CB 3.84Å; F204-A438 HydrophobicContact CD2-CB 4.23Å; F204-A438 HydrophobicContact CE1-CB 3.69Å; F204-A438 HydrophobicContact CE2-CB 4.22Å; F204-A438 HydrophobicContact CG-CB 4.08Å; F204-A438 VanDerWaalsContact CZ-CA 3.47Å; F204-A438 HydrophobicContact CZ-CB 3.93Å; I434-A438 WeakPolarHBondContact O-CB 3.06Å; I434-A438 PolarHBondContact O-N 3.5Å; A438-G441 PolarHBondContact O-N 3.16Å; A438-V442 WeakPolarHBondContact O-CG2 3.25Å
439L93.9Very high92.2Very high131 Ų13141.8 Ų41.869%0.68623%0.228SC*.Hα-helixtrans-69.3-45.1176.1-174.866.2000112.1L435 L436 L437 G441 V442L435-L439 WeakPolarHBondContact O-CB 3.36Å; L435-L439 PolarHBondContact O-N 2.88Å; L435-L439 VanDerWaalsContact O-N 3.09Å; L436-L439 PolarHBondContact O-N 2.85Å; L437-L439 VanDerWaalsContact C-N 3.32Å; L439-G441 PolarHBondContact O-N 3.49Å; L439-V442 WeakPolarHBondContact O-CB 3.3Å; L439-V442 WeakPolarHBondContact O-CG2 3.4Å; L439-V442 PolarHBondContact O-N 2.91Å
440L93.2Very high91.9Very high105 Ų10541.3 Ų41.355%0.5522%0.224SC..Hα-helixtrans-65.1-25.6176.3-74.1177.7000113.1I107 L436 L437 P443I107-L440 HydrophobicContact CD1-CB 3.86Å; L436-L440 HydrophobicContact CD2-CD1 3.53Å; L436-L440 HydrophobicContact CD2-CG 4.32Å; L436-L440 HydrophobicContact CG-CD1 4.41Å; L436-L440 WeakPolarHBondContact O-CG 3.5Å; L436-L440 PolarHBondContact O-N 3.3Å; L437-L440 HydrophobicContact CD2-CD1 4.49Å; L437-L440 PolarHBondContact O-N 3.43Å; L440-P443 VanDerWaalsContact O-CD 3.29Å; L440-P443 WeakPolarHBondContact O-CD 3.27Å
441G92.2Very high91.4Very high0 Ų041.5 Ų41.50%022%0.224CC..THydrogen-bonded Turntrans-82.5-8.8178.200000115Y200 L437 A438 L439 P443 L444Y200-G441 VanDerWaalsContact OH-C 3.23Å; Y200-G441 WeakPolarHBondContact OH-CA 3.39Å; L437-G441 PolarHBondContact O-N 2.97Å; A438-G441 PolarHBondContact O-N 3.16Å; L439-G441 PolarHBondContact O-N 3.49Å; G441-P443 VanDerWaalsContact C-CD 3.41Å; G441-L444 WeakPolarHBondContact O-CB 3.33Å; G441-L444 WeakPolarHBondContact O-CD1 3.45Å; G441-L444 PolarHBondContact O-N 3.4Å
442V90.1Very high91.1Very high43 Ų4340.5 Ų40.526%0.26122%0.216SC..G310 helixtrans-55-39.5-179.2175.40000113.8W189 A438 L439 L444 I445W189-V442 HydrophobicContact CH2-CG1 3.69Å; W189-V442 HydrophobicContact CZ2-CG1 4.09Å; A438-V442 WeakPolarHBondContact O-CG2 3.25Å; L439-V442 WeakPolarHBondContact O-CB 3.3Å; L439-V442 WeakPolarHBondContact O-CG2 3.4Å; L439-V442 PolarHBondContact O-N 2.91Å; V442-L444 PolarHBondContact O-N 2.8Å; V442-L444 VanDerWaalsContact O-N 3.1Å; V442-I445 HydrophobicContact CG1-CG1 4.46Å; V442-I445 WeakPolarHBondContact O-CG1 3.16Å; V442-I445 PolarHBondContact O-N 2.95Å; V442-I445 VanDerWaalsContact O-N 3.11Å
443P88.6Confident90.8Very high59 Ų5934.9 Ų34.938%0.38319%0.187SC..G310 helixtrans-57.6-27.7177.1-26.836.8000113.9L440 G441 I445 T446L440-P443 VanDerWaalsContact O-CD 3.29Å; L440-P443 WeakPolarHBondContact O-CD 3.27Å; G441-P443 VanDerWaalsContact C-CD 3.41Å; P443-I445 VanDerWaalsContact C-N 3.34Å; P443-I445 PolarHBondContact O-N 2.91Å; P443-T446 PolarHBondContact O-N 2.87Å; P443-T446 PolarHBondContact O-OG1 2.99Å
444L89.1Confident90.3Very high8 Ų834.6 Ų34.64%0.04218%0.184CC..G310 helixtrans-77.9-17.4-178.6-59.5115.4000113.6I107 Y111 G441 V442 G449 I453 I456I107-L444 HydrophobicContact CG2-CD1 3.2Å; Y111-L444 HydrophobicContact CD2-CB 4.19Å; Y111-L444 WeakPolarHBondContact CE2-O 3.41Å; G441-L444 WeakPolarHBondContact O-CB 3.33Å; G441-L444 WeakPolarHBondContact O-CD1 3.45Å; G441-L444 PolarHBondContact O-N 3.4Å; V442-L444 PolarHBondContact O-N 2.8Å; V442-L444 VanDerWaalsContact O-N 3.1Å; L444-G449 VanDerWaalsContact O-CA 3.29Å; L444-G449 WeakPolarHBondContact O-CA 3.35Å; L444-I453 HydrophobicContact CB-CG1 4.46Å; L444-I453 HydrophobicContact CD2-CD1 3.98Å; L444-I453 HydrophobicContact CD2-CG1 3.25Å; L444-I453 HydrophobicContact CG-CG1 4.39Å; L444-I456 HydrophobicContact CD2-CD1 3.86Å
445I88.2Confident89.8Confident5 Ų534 Ų343%0.02618%0.181CC..G310 helixtrans-95.31.6175.161.7161.7000113.1Y111 W189 I196 L197 Y200 V442 P443Y111-I445 HydrophobicContact CD2-CG2 4.38Å; W189-I445 HydrophobicContact CH2-CD1 4.19Å; W189-I445 HydrophobicContact CZ2-CD1 3.78Å; W189-I445 HydrophobicContact CZ2-CG1 4.02Å; W189-I445 PolarHBondContact NE1-O 3.26Å; I196-I445 HydrophobicContact CG1-CG2 4.25Å; I196-I445 HydrophobicContact CG2-CB 4.04Å; L197-I445 HydrophobicContact CD1-CD1 3.61Å; Y200-I445 HydrophobicContact CD1-CD1 4.2Å; Y200-I445 HydrophobicContact CD1-CG2 4.33Å; Y200-I445 HydrophobicContact CD2-CG2 3.44Å; Y200-I445 VanDerWaalsContact CD2-CG2 3.44Å; Y200-I445 HydrophobicContact CE1-CD1 4.43Å; Y200-I445 HydrophobicContact CE2-CG2 3.77Å; Y200-I445 HydrophobicContact CG-CG2 3.74Å; V442-I445 HydrophobicContact CG1-CG1 4.46Å; V442-I445 WeakPolarHBondContact O-CG1 3.16Å; V442-I445 PolarHBondContact O-N 2.95Å; V442-I445 VanDerWaalsContact O-N 3.11Å; P443-I445 VanDerWaalsContact C-N 3.34Å; P443-I445 PolarHBondContact O-N 2.91Å
446T88Confident89.5Confident18 Ų1829.7 Ų29.711%0.1116%0.159CC..SBendtrans-75168.4171.766.90000110.7P443 A448 G449P443-T446 PolarHBondContact O-N 2.87Å; P443-T446 PolarHBondContact O-OG1 2.99Å; T446-A448 PolarHBondContact O-N 3.29Å; T446-G449 WeakPolarHBondContact O-CA 3.5Å; T446-G449 PolarHBondContact O-N 2.71Å; T446-G449 PolarHBondContact OG1-N 2.94Å
447Q85.2Confident89Confident40 Ų4025.7 Ų25.719%0.18714%0.138CC..THydrogen-bonded Turntrans-59.5-28.8175.1-65-177.5-8.400112.7M175 S177 G449M175-Q447 HydrophobicContact CB-CG 4.15Å; M175-Q447 WeakPolarHBondContact O-CB 3.4Å; M175-Q447 VanDerWaalsContact O-CG 3.29Å; M175-Q447 WeakPolarHBondContact O-CG 3.47Å; S177-Q447 PolarHBondContact N-O 2.99Å; Q447-G449 VanDerWaalsContact C-N 3.27Å; Q447-G449 PolarHBondContact O-N 3.43Å
448A84.8Confident88.4Confident2 Ų227.2 Ų27.22%0.01714%0.144CC..THydrogen-bonded Turntrans-80.3-4.4172.700000113.6G183 T446 F450 Y451 W452G183-A448 PolarHBondContact O-N 3.05Å; T446-A448 PolarHBondContact O-N 3.29Å; A448-F450 PolarHBondContact O-N 3.47Å; A448-Y451 WeakPolarHBondContact O-CB 3.2Å; A448-Y451 PolarHBondContact O-N 3.2Å; A448-W452 VanDerWaalsContact O-CD1 3.26Å; A448-W452 PolarHBondContact O-N 3.22Å
449G86.7Confident88Confident1 Ų126.6 Ų26.61%0.0114%0.137CC..Hα-helixtrans-56.1-34.8-175.300000114.3L444 T446 Q447 Y451 W452 I453L444-G449 VanDerWaalsContact O-CA 3.29Å; L444-G449 WeakPolarHBondContact O-CA 3.35Å; T446-G449 WeakPolarHBondContact O-CA 3.5Å; T446-G449 PolarHBondContact O-N 2.71Å; T446-G449 PolarHBondContact OG1-N 2.94Å; Q447-G449 VanDerWaalsContact C-N 3.27Å; Q447-G449 PolarHBondContact O-N 3.43Å; G449-Y451 VanDerWaalsContact C-N 3.29Å; G449-Y451 PolarHBondContact O-N 3.3Å; G449-W452 PolarHBondContact O-N 3.16Å; G449-I453 PolarHBondContact O-N 3.05Å
450F86.4Confident87.5Confident6 Ų620.8 Ų20.83%0.02611%0.108CC..Hα-helixtrans-53.9-45.9173.1173.6-100.8000112.1L170 R176 W360 L361 A448 R454L170-F450 HydrophobicContact CD2-CD2 3.74Å; L170-F450 HydrophobicContact CD2-CE2 3.75Å; L170-F450 HydrophobicContact CD2-CG 4.31Å; L170-F450 HydrophobicContact CD2-CZ 4.27Å; R176-F450 VanDerWaalsContact CD-CD1 3.47Å; R176-F450 HydrophobicContact CG-CB 4.33Å; R176-F450 HydrophobicContact CG-CD1 4.16Å; R176-F450 HydrophobicContact CG-CG 4.4Å; W360-F450 HydrophobicContact CH2-CD2 4.39Å; W360-F450 AromaticContact CZ2-CD2 3.73Å; W360-F450 HydrophobicContact CZ2-CD2 3.73Å; W360-F450 HydrophobicContact CZ2-CE2 4.09Å; L361-F450 HydrophobicContact CD1-CD2 4.5Å; L361-F450 HydrophobicContact CD1-CE2 3.69Å; A448-F450 PolarHBondContact O-N 3.47Å; F450-R454 WeakPolarHBondContact O-CB 3.24Å; F450-R454 PolarHBondContact O-N 3.38Å; F450-R454 VanDerWaalsContact O-N 3.12Å
451Y85.8Confident86.8Confident3 Ų316.3 Ų16.31%0.0128%0.084CC..Hα-helixtrans-68.8-40.7179.2-61.7-67.6000112.2R176 S177 D178 I180 A448 G449 I453 R454 L455 P534 P538R176-Y451 HydrophobicContact CG-CE2 4.21Å; S177-Y451 WeakPolarHBondContact O-CE2 3.45Å; S177-Y451 PolarHBondContact O-OH 3.18Å; D178-Y451 PolarHBondContact O-OH 3.09Å; I180-Y451 HydrophobicContact CB-CD2 4.23Å; I180-Y451 HydrophobicContact CB-CG 4.11Å; I180-Y451 HydrophobicContact CG1-CG 4.5Å; A448-Y451 WeakPolarHBondContact O-CB 3.2Å; A448-Y451 PolarHBondContact O-N 3.2Å; G449-Y451 VanDerWaalsContact C-N 3.29Å; G449-Y451 PolarHBondContact O-N 3.3Å; Y451-I453 PolarHBondContact O-N 3.08Å; Y451-R454 PolarHBondContact O-N 2.95Å; Y451-L455 WeakPolarHBondContact O-CB 3.26Å; Y451-L455 PolarHBondContact O-N 3.18Å; Y451-P534 HydrophobicContact CE1-CG 3.53Å; Y451-P538 HydrophobicContact CD1-CG 3.89Å; Y451-P538 HydrophobicContact CG-CG 4.45Å
452W88.5Confident86.3Confident50 Ų5016.7 Ų16.719%0.1899%0.086CC..Hα-helixtrans-60.6-44.8177.5-72.7111.1000111.9I180 A448 G449 L455 I456 L546 I550I180-W452 HydrophobicContact CD1-CD2 4.49Å; A448-W452 VanDerWaalsContact O-CD1 3.26Å; A448-W452 PolarHBondContact O-N 3.22Å; G449-W452 PolarHBondContact O-N 3.16Å; W452-L455 PolarHBondContact O-N 2.86Å; W452-I456 WeakPolarHBondContact O-CB 3.44Å; W452-I456 WeakPolarHBondContact O-CD1 3.45Å; W452-I456 WeakPolarHBondContact O-CG1 3.27Å; W452-I456 PolarHBondContact O-N 3.44Å; W452-L546 HydrophobicContact CH2-CD2 4.13Å; W452-L546 HydrophobicContact CZ3-CD2 4.12Å; W452-I550 HydrophobicContact CE3-CD1 4.32Å; W452-I550 HydrophobicContact CZ3-CD1 3.92Å
453I90.2Very high85.7Confident1 Ų115 Ų151%0.0058%0.075CC..Hα-helixtrans-65.1-46.8177.9-70-178.6000111.3Y111 F112 W360 L444 G449 Y451 L455 I456 D457Y111-I453 HydrophobicContact CD1-CD1 3.07Å; Y111-I453 HydrophobicContact CD1-CG1 4.48Å; Y111-I453 HydrophobicContact CD2-CD1 3.79Å; Y111-I453 HydrophobicContact CE1-CD1 2.87Å; Y111-I453 HydrophobicContact CE1-CG1 4.36Å; Y111-I453 HydrophobicContact CE2-CD1 3.6Å; Y111-I453 HydrophobicContact CG-CD1 3.5Å; F112-I453 HydrophobicContact CE1-CG2 4.22Å; F112-I453 HydrophobicContact CZ-CG2 4.26Å; W360-I453 HydrophobicContact CD2-CG2 4.37Å; W360-I453 HydrophobicContact CG-CG2 4.35Å; W360-I453 HydrophobicContact CZ2-CG2 4.29Å; L444-I453 HydrophobicContact CB-CG1 4.46Å; L444-I453 HydrophobicContact CD2-CD1 3.98Å; L444-I453 HydrophobicContact CD2-CG1 3.25Å; L444-I453 HydrophobicContact CG-CG1 4.39Å; G449-I453 PolarHBondContact O-N 3.05Å; Y451-I453 PolarHBondContact O-N 3.08Å; I453-L455 PolarHBondContact O-N 3Å; I453-I456 PolarHBondContact O-N 2.87Å; I453-D457 WeakPolarHBondContact O-CB 3.24Å; I453-D457 PolarHBondContact O-N 3.39Å
454R85.7Confident85Confident12 Ų1212.9 Ų12.95%0.0456%0.06CC..Hα-helixtrans-57.5-40178.6-168.2-179.2168.411013111.1F450 Y451 W458 D524 D537 I539F450-R454 WeakPolarHBondContact O-CB 3.24Å; F450-R454 PolarHBondContact O-N 3.38Å; F450-R454 VanDerWaalsContact O-N 3.12Å; Y451-R454 PolarHBondContact O-N 2.95Å; R454-W458 VanDerWaalsContact O-CB 3.28Å; R454-W458 WeakPolarHBondContact O-CB 3.48Å; R454-W458 PolarHBondContact O-N 3.39Å; R454-D524 IonicContact CZ-OD2 2.6Å; R454-D524 IonicContact NH1-OD2 3.95Å; R454-D524 PolarHBondContact NH1-OD2 3.39Å; R454-D524 VanDerWaalsContact NH2-CG 3.27Å; R454-D524 IonicContact NH2-OD1 2.83Å; R454-D524 PolarHBondContact NH2-OD1 3.13Å; R454-D524 IonicContact NH2-OD2 2.69Å; R454-D524 PolarHBondContact NH2-OD2 3.43Å; R454-D537 IonicContact CZ-OD2 3.54Å; R454-D537 IonicContact NE-OD1 3.25Å; R454-D537 IonicContact NE-OD2 3.05Å; R454-D537 PolarHBondContact NE-OD2 3.46Å; R454-D537 IonicContact NH2-OD2 3.69Å; R454-D537 PolarHBondContact NH2-OD2 2.81Å; R454-I539 HydrophobicContact CG-CD1 3.91Å
455L86.1Confident84.5Confident1 Ų113.3 Ų13.31%0.0056%0.062CC..Hα-helixtrans-68.6-48.5176.3-167.672.7000112.2Y451 W452 I453 W458 F459 L546 I550Y451-L455 WeakPolarHBondContact O-CB 3.26Å; Y451-L455 PolarHBondContact O-N 3.18Å; W452-L455 PolarHBondContact O-N 2.86Å; I453-L455 PolarHBondContact O-N 3Å; L455-W458 PolarHBondContact O-N 2.95Å; L455-F459 HydrophobicContact CD1-CD2 3.8Å; L455-F459 HydrophobicContact CD1-CE2 3.59Å; L455-F459 HydrophobicContact CG-CD2 4.21Å; L455-F459 HydrophobicContact CG-CE2 4.48Å; L455-F459 WeakPolarHBondContact O-CD2 3.46Å; L455-F459 PolarHBondContact O-N 3.34Å; L455-F459 VanDerWaalsContact O-N 3.15Å; L455-L546 HydrophobicContact CD2-CD2 4.15Å; L455-L546 HydrophobicContact CD2-CG 4.16Å; L455-I550 HydrophobicContact CD2-CD1 3.62Å; L455-I550 HydrophobicContact CG-CD1 4.47Å
456I89.1Confident84.1Confident22 Ų2215.5 Ų15.511%0.1137%0.074CC..Hα-helixtrans-62.4-49.2-178.8-71.2165.2000110.6I104 I108 L444 W452 I453 W458 F459 V460 I550I104-I456 HydrophobicContact CG2-CG2 3.97Å; I108-I456 HydrophobicContact CD1-CG2 3.38Å; I108-I456 HydrophobicContact CG1-CG2 3.98Å; L444-I456 HydrophobicContact CD2-CD1 3.86Å; W452-I456 WeakPolarHBondContact O-CB 3.44Å; W452-I456 WeakPolarHBondContact O-CD1 3.45Å; W452-I456 WeakPolarHBondContact O-CG1 3.27Å; W452-I456 PolarHBondContact O-N 3.44Å; I453-I456 PolarHBondContact O-N 2.87Å; I456-W458 VanDerWaalsContact C-N 3.3Å; I456-W458 PolarHBondContact O-N 3.47Å; I456-F459 PolarHBondContact O-N 2.99Å; I456-V460 HydrophobicContact CG2-CB 4.32Å; I456-V460 HydrophobicContact CG2-CG2 3.83Å; I456-V460 WeakPolarHBondContact O-CB 3.32Å; I456-V460 WeakPolarHBondContact O-CG2 3.49Å; I456-V460 PolarHBondContact O-N 2.83Å; I456-I550 HydrophobicContact CG1-CG2 4.06Å
457D85.9Confident83.8Confident13 Ų1314.9 Ų14.97%0.077%0.07CC..Hα-helixtrans-61.7-38.3-178.2-170.563.5000111.9K38 I453K38-D457 WeakPolarHBondContact CE-OD1 3.29Å; K38-D457 WeakPolarHBondContact CE-OD2 3.35Å; K38-D457 IonicContact NZ-OD1 3.43Å; K38-D457 PolarHBondContact NZ-OD1 3.39Å; K38-D457 IonicContact NZ-OD2 3.27Å; K38-D457 PolarHBondContact NZ-OD2 3.38Å; I453-D457 WeakPolarHBondContact O-CB 3.24Å; I453-D457 PolarHBondContact O-N 3.39Å
458W83.8Confident83.7Confident32 Ų3213.1 Ų13.112%0.1216%0.062CC..Hα-helixtrans-68.9-43.8178-171.5-104.3000113.1R454 L455 I456 R462 P522 I539R454-W458 VanDerWaalsContact O-CB 3.28Å; R454-W458 WeakPolarHBondContact O-CB 3.48Å; R454-W458 PolarHBondContact O-N 3.39Å; L455-W458 PolarHBondContact O-N 2.95Å; I456-W458 VanDerWaalsContact C-N 3.3Å; I456-W458 PolarHBondContact O-N 3.47Å; W458-R462 VanDerWaalsContact CE2-NH2 3.34Å; W458-R462 PolarHBondContact O-NH1 3.46Å; W458-P522 HydrophobicContact CH2-CB 3.78Å; W458-P522 HydrophobicContact CZ2-CB 4.4Å; W458-P522 HydrophobicContact CZ3-CB 3.91Å; W458-I539 HydrophobicContact CB-CD1 4.23Å; W458-I539 HydrophobicContact CD2-CD1 4.39Å; W458-I539 HydrophobicContact CG-CD1 4.1Å
459F86.5Confident83.7Confident6 Ų615.8 Ų15.83%0.0268%0.075CC..Hα-helixtrans-94.7-40.6-172.1-73.6-79.6000114.1L455 I456 D461 R462 I544 W548 A551L455-F459 HydrophobicContact CD1-CD2 3.8Å; L455-F459 HydrophobicContact CD1-CE2 3.59Å; L455-F459 HydrophobicContact CG-CD2 4.21Å; L455-F459 HydrophobicContact CG-CE2 4.48Å; L455-F459 WeakPolarHBondContact O-CD2 3.46Å; L455-F459 PolarHBondContact O-N 3.34Å; L455-F459 VanDerWaalsContact O-N 3.15Å; I456-F459 PolarHBondContact O-N 2.99Å; F459-D461 PolarHBondContact O-N 3.41Å; F459-R462 PolarHBondContact O-N 3.39Å; F459-I544 HydrophobicContact CE1-CG2 4.46Å; F459-I544 HydrophobicContact CZ-CG2 4.19Å; F459-W548 AromaticContact CD1-CD2 3.92Å; F459-W548 HydrophobicContact CD1-CD2 3.92Å; F459-W548 AromaticContact CD1-CE2 3.97Å; F459-W548 HydrophobicContact CD1-CE3 4.2Å; F459-W548 HydrophobicContact CD1-CG 4.31Å; F459-W548 HydrophobicContact CD1-CZ2 4.33Å; F459-W548 AromaticContact CE1-CD1 3.97Å; F459-W548 HydrophobicContact CE1-CD2 4Å; F459-W548 AromaticContact CE1-CE2 3.67Å; F459-W548 HydrophobicContact CE1-CG 4.19Å; F459-W548 HydrophobicContact CE1-CZ2 4.13Å; F459-W548 AromaticContact CE1-NE1 3.63Å; F459-A551 HydrophobicContact CB-CB 3.92Å
460V84Confident83.7Confident10 Ų1015.9 Ų15.96%0.0618%0.077CC..Hα-helixtrans-67.6-40.5-173.7173.80000111.7I104 I456 R462 L463 M464 I550 A551I104-V460 HydrophobicContact CD1-CG1 4.36Å; I104-V460 HydrophobicContact CG2-CG1 4.04Å; I104-V460 HydrophobicContact CG2-CG2 4.43Å; I456-V460 HydrophobicContact CG2-CB 4.32Å; I456-V460 HydrophobicContact CG2-CG2 3.83Å; I456-V460 WeakPolarHBondContact O-CB 3.32Å; I456-V460 WeakPolarHBondContact O-CG2 3.49Å; I456-V460 PolarHBondContact O-N 2.83Å; V460-R462 PolarHBondContact O-N 3.46Å; V460-R462 VanDerWaalsContact O-N 3.15Å; V460-L463 PolarHBondContact O-N 3.5Å; V460-M464 HydrophobicContact CG1-CE 3.93Å; V460-I550 HydrophobicContact CG2-CG2 4.31Å; V460-A551 HydrophobicContact CG2-CB 4.37Å
461D78.2Confident83.7Confident11 Ų1115.6 Ų15.66%0.0598%0.076CC..Hα-helixtrans-59.5-30.2-179.7-81.5-6.4000112.2K38 Q294 F459K38-D461 IonicContact NZ-OD2 3.76Å; K38-D461 PolarHBondContact NZ-OD2 3.06Å; Q294-D461 PolarHBondContact NE2-O 2.67Å; F459-D461 PolarHBondContact O-N 3.41Å
462R82Confident83.8Confident8 Ų815.7 Ų15.73%0.038%0.076CC..Hα-helixtrans-80.3-29-176.5-67.1-176.6178.3123.9-12.8114W458 F459 V460 M464 Y514 I515 T518W458-R462 VanDerWaalsContact CE2-NH2 3.34Å; W458-R462 PolarHBondContact O-NH1 3.46Å; F459-R462 PolarHBondContact O-N 3.39Å; V460-R462 PolarHBondContact O-N 3.46Å; V460-R462 VanDerWaalsContact O-N 3.15Å; R462-M464 VanDerWaalsContact C-N 3.3Å; R462-M464 PolarHBondContact O-N 3.13Å; R462-Y514 HydrophobicContact CB-CD1 4.21Å; R462-Y514 HydrophobicContact CB-CE1 4.27Å; R462-Y514 WeakPolarHBondContact CD-O 3.15Å; R462-Y514 HydrophobicContact CG-CD1 3.59Å; R462-Y514 HydrophobicContact CG-CE1 3.35Å; R462-Y514 HydrophobicContact CG-CG 4.46Å; R462-I515 HydrophobicContact CB-CG1 4.48Å; R462-I515 WeakPolarHBondContact O-CG1 3.22Å; R462-T518 HydrophobicContact CG-CG2 4.42Å
463L76.6Confident83.8Confident8 Ų814.8 Ų14.84%0.0428%0.079CC..Hα-helixtrans-84.61179.8-70.8-170.5000114.7V460 L465 I466 W548 A551 F552 I555V460-L463 PolarHBondContact O-N 3.5Å; L463-L465 PolarHBondContact O-N 3.2Å; L463-I466 PolarHBondContact O-N 2.86Å; L463-W548 HydrophobicContact CD1-CE3 4.33Å; L463-W548 HydrophobicContact CD1-CZ3 4.39Å; L463-W548 HydrophobicContact CD2-CZ3 3.87Å; L463-W548 HydrophobicContact CG-CZ3 4.15Å; L463-A551 HydrophobicContact CB-CB 4.48Å; L463-A551 HydrophobicContact CD1-CB 3.32Å; L463-A551 HydrophobicContact CG-CB 3.98Å; L463-F552 HydrophobicContact CD1-CB 4.44Å; L463-F552 HydrophobicContact CD1-CD1 3.84Å; L463-F552 HydrophobicContact CD1-CD2 3.83Å; L463-F552 HydrophobicContact CD1-CE1 3.97Å; L463-F552 HydrophobicContact CD1-CE2 3.96Å; L463-F552 HydrophobicContact CD1-CG 3.76Å; L463-F552 HydrophobicContact CD1-CZ 4.02Å; L463-F552 HydrophobicContact CD2-CE1 4.17Å; L463-F552 HydrophobicContact CD2-CE2 4.44Å; L463-F552 HydrophobicContact CD2-CZ 3.96Å; L463-I555 HydrophobicContact CB-CD1 3.77Å; L463-I555 HydrophobicContact CD1-CD1 4.14Å
464M75.1Confident83.7Confident14 Ų1414.7 Ų14.77%0.0698%0.079CC..THydrogen-bonded Turntrans-61.5-12.1173.7-68.1-75.2173.100113.4A101 V460 R462 I466 P467 V468A101-M464 HydrophobicContact CB-CE 3.81Å; A101-M464 HydrophobicContact CB-SD 3.97Å; V460-M464 HydrophobicContact CG1-CE 3.93Å; R462-M464 VanDerWaalsContact C-N 3.3Å; R462-M464 PolarHBondContact O-N 3.13Å; M464-I466 VanDerWaalsContact C-N 3.32Å; M464-I466 PolarHBondContact O-N 3.28Å; M464-P467 VanDerWaalsContact O-CD 3.23Å; M464-P467 WeakPolarHBondContact O-CD 3.48Å; M464-P467 VanDerWaalsContact O-CG 3.27Å; M464-P467 WeakPolarHBondContact O-CG 3.3Å; M464-V468 WeakPolarHBondContact O-CG2 3.42Å; M464-V468 PolarHBondContact O-N 3.49Å
465L77.6Confident83.9Confident16 Ų1614.1 Ų14.18%0.0848%0.077CC..Hα-helixtrans-53.4-46.3174-174.7156.5000112.8L463 V468 L469 Y511 T512 I515L463-L465 PolarHBondContact O-N 3.2Å; L465-V468 WeakPolarHBondContact O-CB 3.49Å; L465-V468 PolarHBondContact O-N 2.94Å; L465-L469 HydrophobicContact CD2-CD1 3.39Å; L465-L469 HydrophobicContact CD2-CG 3.92Å; L465-L469 HydrophobicContact CG-CD1 4.25Å; L465-L469 HydrophobicContact CG-CG 4.43Å; L465-L469 WeakPolarHBondContact O-CG 3.19Å; L465-L469 PolarHBondContact O-N 2.92Å; L465-Y511 HydrophobicContact CB-CD1 4.46Å; L465-Y511 HydrophobicContact CB-CG 4.34Å; L465-Y511 VanDerWaalsContact CD1-C 3.43Å; L465-Y511 VanDerWaalsContact CD1-CB 3.44Å; L465-T512 VanDerWaalsContact CD1-N 3.31Å; L465-T512 WeakPolarHBondContact CD1-OG1 3.4Å; L465-I515 HydrophobicContact CB-CD1 3.93Å; L465-I515 HydrophobicContact CD1-CD1 3.62Å; L465-I515 HydrophobicContact CG-CD1 4.31Å
466I79.4Confident84Confident52 Ų5215.8 Ų15.827%0.2679%0.086SC..Hα-helixtrans-61.2-53.4-173.7-64172000111.4F94 L463 M464 V468 G470 I555F94-I466 HydrophobicContact CD1-CG2 4.38Å; F94-I466 WeakPolarHBondContact CD1-O 3.35Å; F94-I466 HydrophobicContact CE1-CG2 3.98Å; L463-I466 PolarHBondContact O-N 2.86Å; M464-I466 VanDerWaalsContact C-N 3.32Å; M464-I466 PolarHBondContact O-N 3.28Å; I466-V468 VanDerWaalsContact C-N 3.28Å; I466-V468 PolarHBondContact O-N 3.35Å; I466-G470 PolarHBondContact O-N 3.25Å; I466-I555 HydrophobicContact CB-CD1 4.37Å; I466-I555 HydrophobicContact CD1-CD1 3.88Å; I466-I555 HydrophobicContact CD1-CG2 4.17Å; I466-I555 HydrophobicContact CG2-CG2 4.1Å
467P81.8Confident84Confident5 Ų516.8 Ų16.83%0.0329%0.093CC..Hα-helixtrans-65-30.3176.322.4-31.5000113.2I97 M464 Q471I97-P467 HydrophobicContact CB-CB 4.33Å; I97-P467 HydrophobicContact CG2-CB 3.82Å; I97-P467 HydrophobicContact CG2-CG 3.98Å; M464-P467 VanDerWaalsContact O-CD 3.23Å; M464-P467 WeakPolarHBondContact O-CD 3.48Å; M464-P467 VanDerWaalsContact O-CG 3.27Å; M464-P467 WeakPolarHBondContact O-CG 3.3Å; P467-Q471 VanDerWaalsContact O-CB 3.32Å; P467-Q471 WeakPolarHBondContact O-CB 3.17Å; P467-Q471 VanDerWaalsContact O-CG 3.26Å; P467-Q471 WeakPolarHBondContact O-CG 3.44Å; P467-Q471 PolarHBondContact O-N 3.28Å; P467-Q471 PolarHBondContact O-NE2 3.24Å
468V83.8Confident84Confident3 Ų316.1 Ų16.12%0.0189%0.089CC..Hα-helixtrans-61.3-57.9176.3172.40000110.2W299 M464 L465 I466 G470 Q471 V472 Y511W299-V468 HydrophobicContact CB-CG2 3.78Å; W299-V468 HydrophobicContact CD2-CB 4.44Å; W299-V468 HydrophobicContact CD2-CG1 3.93Å; W299-V468 HydrophobicContact CD2-CG2 4.27Å; W299-V468 HydrophobicContact CG-CB 4.22Å; W299-V468 HydrophobicContact CG-CG1 4.09Å; W299-V468 HydrophobicContact CG-CG2 3.57Å; W299-V468 HydrophobicContact CZ2-CG1 4.22Å; M464-V468 WeakPolarHBondContact O-CG2 3.42Å; M464-V468 PolarHBondContact O-N 3.49Å; L465-V468 WeakPolarHBondContact O-CB 3.49Å; L465-V468 PolarHBondContact O-N 2.94Å; I466-V468 VanDerWaalsContact C-N 3.28Å; I466-V468 PolarHBondContact O-N 3.35Å; V468-G470 VanDerWaalsContact C-N 3.29Å; V468-G470 PolarHBondContact O-N 3.1Å; V468-Q471 PolarHBondContact O-N 3.21Å; V468-V472 HydrophobicContact CG1-CG2 4.26Å; V468-V472 WeakPolarHBondContact O-CB 3.48Å; V468-V472 WeakPolarHBondContact O-CG2 3.23Å; V468-V472 PolarHBondContact O-N 3.21Å; V468-Y511 HydrophobicContact CG1-CE2 4.28Å; V468-Y511 HydrophobicContact CG2-CE2 4.31Å
469L84.9Confident84.2Confident57 Ų5715 Ų1530%0.2989%0.085SC..Hα-helixtrans-60.6-38.5-175.7-64.4-174.8000113L465 V472 A473 I504 S508L465-L469 HydrophobicContact CD2-CD1 3.39Å; L465-L469 HydrophobicContact CD2-CG 3.92Å; L465-L469 HydrophobicContact CG-CD1 4.25Å; L465-L469 HydrophobicContact CG-CG 4.43Å; L465-L469 WeakPolarHBondContact O-CG 3.19Å; L465-L469 PolarHBondContact O-N 2.92Å; L469-V472 WeakPolarHBondContact O-CB 3.37Å; L469-A473 WeakPolarHBondContact O-CB 3.27Å; L469-A473 PolarHBondContact O-N 2.89Å; L469-A473 VanDerWaalsContact O-N 3.08Å; L469-I504 HydrophobicContact CD2-CG2 4.31Å; L469-S508 VanDerWaalsContact CD2-CB 3.45Å
470G86Confident84.1Confident4 Ų417.1 Ų17.14%0.04110%0.103CC..Hα-helixtrans-72.8-42.4179.600000114F91 F94 I466 V468 V472 A473 G474F91-G470 VanDerWaalsContact CD1-O 3.28Å; F91-G470 WeakPolarHBondContact CD1-O 3.37Å; F94-G470 VanDerWaalsContact CD2-CA 3.44Å; F94-G470 VanDerWaalsContact CG-CA 3.42Å; I466-G470 PolarHBondContact O-N 3.25Å; V468-G470 VanDerWaalsContact C-N 3.29Å; V468-G470 PolarHBondContact O-N 3.1Å; G470-V472 VanDerWaalsContact C-N 3.32Å; G470-V472 PolarHBondContact O-N 2.71Å; G470-A473 PolarHBondContact O-N 3.02Å; G470-G474 PolarHBondContact O-N 3.12Å
471Q87.8Confident84.1Confident0 Ų020.6 Ų20.60%012%0.119CC..Hα-helixtrans-63.6-42.6175.7-78.6177.67000111.7I80 F84 F94 W299 P467 V468 G474 F475I80-Q471 HydrophobicContact CD1-CG 4.22Å; F84-Q471 HydrophobicContact CE2-CG 4.32Å; F84-Q471 WeakPolarHBondContact CZ-O 3.47Å; F94-Q471 HydrophobicContact CB-CG 4.29Å; W299-Q471 HydrophobicContact CE3-CB 4.44Å; W299-Q471 PolarHBondContact O-NE2 3.06Å; W299-Q471 PolarHBondContact O-OE1 3.16Å; P467-Q471 VanDerWaalsContact O-CB 3.32Å; P467-Q471 WeakPolarHBondContact O-CB 3.17Å; P467-Q471 VanDerWaalsContact O-CG 3.26Å; P467-Q471 WeakPolarHBondContact O-CG 3.44Å; P467-Q471 PolarHBondContact O-N 3.28Å; P467-Q471 PolarHBondContact O-NE2 3.24Å; V468-Q471 PolarHBondContact O-N 3.21Å; Q471-G474 CarbonylContact O-C 2.98Å; Q471-G474 WeakPolarHBondContact O-CA 3.44Å; Q471-G474 PolarHBondContact O-N 3.15Å; Q471-F475 HydrophobicContact CB-CE2 4.05Å; Q471-F475 WeakPolarHBondContact O-CD2 3.49Å; Q471-F475 WeakPolarHBondContact O-CG 3.37Å; Q471-F475 PolarHBondContact O-N 3.23Å
472V87.6Confident84.1Confident4 Ų421.4 Ų21.42%0.02412%0.123CC..Hα-helixtrans-51.8-56.6172.5158.40000111.9W299 V468 L469 G470 G474 F475 L476 Y500 I504W299-V472 HydrophobicContact CE3-CG2 4Å; W299-V472 HydrophobicContact CH2-CB 4.46Å; W299-V472 HydrophobicContact CH2-CG2 3.11Å; W299-V472 HydrophobicContact CZ2-CG2 3.78Å; W299-V472 HydrophobicContact CZ3-CB 4.35Å; W299-V472 HydrophobicContact CZ3-CG2 3.24Å; V468-V472 HydrophobicContact CG1-CG2 4.26Å; V468-V472 WeakPolarHBondContact O-CB 3.48Å; V468-V472 WeakPolarHBondContact O-CG2 3.23Å; V468-V472 PolarHBondContact O-N 3.21Å; L469-V472 WeakPolarHBondContact O-CB 3.37Å; G470-V472 VanDerWaalsContact C-N 3.32Å; G470-V472 PolarHBondContact O-N 2.71Å; V472-G474 PolarHBondContact O-N 2.83Å; V472-F475 PolarHBondContact O-N 2.6Å; V472-F475 VanDerWaalsContact O-N 3.11Å; V472-L476 PolarHBondContact O-N 2.79Å; V472-Y500 HydrophobicContact CB-CE1 4.5Å; V472-Y500 HydrophobicContact CG1-CE1 3.89Å; V472-I504 HydrophobicContact CB-CD1 4.42Å; V472-I504 HydrophobicContact CB-CG1 4.33Å; V472-I504 HydrophobicContact CG1-CB 3.91Å; V472-I504 HydrophobicContact CG1-CD1 2.98Å; V472-I504 HydrophobicContact CG1-CG1 3.09Å; V472-I504 HydrophobicContact CG1-CG2 3.53Å; V472-I504 HydrophobicContact CG2-CG1 4.28Å
473A87.4Confident83.6Confident31 Ų3130.1 Ų30.126%0.25616%0.156SC..Hα-helixtrans-62.9-36.5-178.400000110.5F91 L469 G470 T477F91-A473 HydrophobicContact CD1-CB 4.24Å; F91-A473 HydrophobicContact CE1-CB 3.46Å; F91-A473 VanDerWaalsContact CE1-CB 3.46Å; F91-A473 HydrophobicContact CE2-CB 4.44Å; F91-A473 HydrophobicContact CZ-CB 3.6Å; L469-A473 WeakPolarHBondContact O-CB 3.27Å; L469-A473 PolarHBondContact O-N 2.89Å; L469-A473 VanDerWaalsContact O-N 3.08Å; G470-A473 PolarHBondContact O-N 3.02Å; A473-T477 WeakPolarHBondContact O-CB 3.43Å; A473-T477 VanDerWaalsContact O-CG2 3.27Å; A473-T477 WeakPolarHBondContact O-CG2 3.48Å; A473-T477 PolarHBondContact O-N 3.44Å; A473-T477 PolarHBondContact O-OG1 2.83Å
474G88.7Confident83Confident0 Ų031.8 Ų31.80%017%0.174CC..Hα-helixtrans-57.3-50.8169.400000113.2G470 Q471 V472 L476 T477 V478G470-G474 PolarHBondContact O-N 3.12Å; Q471-G474 CarbonylContact O-C 2.98Å; Q471-G474 WeakPolarHBondContact O-CA 3.44Å; Q471-G474 PolarHBondContact O-N 3.15Å; V472-G474 PolarHBondContact O-N 2.83Å; G474-L476 PolarHBondContact O-N 3.18Å; G474-T477 PolarHBondContact O-N 3.35Å; G474-T477 PolarHBondContact O-OG1 3.15Å; G474-V478 VanDerWaalsContact O-CG2 3.24Å; G474-V478 WeakPolarHBondContact O-CG2 3.39Å; G474-V478 PolarHBondContact O-N 3.28Å
475F90.1Very high82.4Confident0 Ų033 Ų330%018%0.184CC..Hα-helixtrans-64.9-40.5-179.7-65.5-42.5000112.5L68 Q69 L72 F73 I80 F84 W299 P304 Q471 V472 V478 Y479L68-F475 HydrophobicContact CD2-CB 4.36Å; Q69-F475 HydrophobicContact CG-CD2 4.08Å; Q69-F475 HydrophobicContact CG-CE2 3.9Å; Q69-F475 HydrophobicContact CG-CZ 4.32Å; L72-F475 HydrophobicContact CD1-CB 4.14Å; L72-F475 HydrophobicContact CD1-CD1 4.17Å; L72-F475 HydrophobicContact CD1-CG 4.47Å; F73-F475 HydrophobicContact CE2-CD1 4.09Å; F73-F475 AromaticContact CE2-CE1 3.4Å; F73-F475 HydrophobicContact CE2-CE1 3.4Å; F73-F475 VanDerWaalsContact CE2-CE1 3.4Å; F73-F475 HydrophobicContact CE2-CZ 4.08Å; F73-F475 AromaticContact CZ-CE1 3.7Å; F73-F475 HydrophobicContact CZ-CE1 3.7Å; F73-F475 HydrophobicContact CZ-CZ 4.49Å; I80-F475 HydrophobicContact CD1-CE1 4.06Å; I80-F475 HydrophobicContact CD1-CZ 3.61Å; I80-F475 HydrophobicContact CG1-CE1 4.13Å; I80-F475 HydrophobicContact CG1-CZ 4.18Å; F84-F475 AromaticContact CE1-CD1 3.58Å; F84-F475 HydrophobicContact CE1-CD1 3.58Å; F84-F475 AromaticContact CE1-CE1 3.75Å; F84-F475 HydrophobicContact CE1-CE1 3.75Å; F84-F475 HydrophobicContact CE1-CG 4.37Å; F84-F475 HydrophobicContact CE2-CE1 4.37Å; F84-F475 AromaticContact CZ-CD1 3.55Å; F84-F475 HydrophobicContact CZ-CD1 3.55Å; F84-F475 AromaticContact CZ-CE1 3.41Å; F84-F475 HydrophobicContact CZ-CE1 3.41Å; F84-F475 VanDerWaalsContact CZ-CE1 3.41Å; F84-F475 HydrophobicContact CZ-CG 4.13Å; F84-F475 AromaticContact CZ-CZ 3.98Å; F84-F475 HydrophobicContact CZ-CZ 3.98Å; W299-F475 HydrophobicContact CZ3-CD2 4.29Å; W299-F475 HydrophobicContact CZ3-CE2 4.31Å; P304-F475 HydrophobicContact CG-CZ 4.18Å; Q471-F475 HydrophobicContact CB-CE2 4.05Å; Q471-F475 WeakPolarHBondContact O-CD2 3.49Å; Q471-F475 WeakPolarHBondContact O-CG 3.37Å; Q471-F475 PolarHBondContact O-N 3.23Å; V472-F475 PolarHBondContact O-N 2.6Å; V472-F475 VanDerWaalsContact O-N 3.11Å; F475-V478 PolarHBondContact O-N 3.24Å; F475-Y479 VanDerWaalsContact O-CB 3.3Å; F475-Y479 WeakPolarHBondContact O-CB 3.46Å; F475-Y479 PolarHBondContact O-N 3.47Å
476L88.7Confident81.7Confident36 Ų3642.8 Ų42.819%0.18823%0.226CC..Hα-helixtrans-63.8-44.9178.2-169.859.4000111.5V472 G474 Y479 A480 I497 Y500 I504V472-L476 PolarHBondContact O-N 2.79Å; G474-L476 PolarHBondContact O-N 3.18Å; L476-Y479 PolarHBondContact O-N 3.1Å; L476-A480 WeakPolarHBondContact O-CB 3.27Å; L476-A480 PolarHBondContact O-N 2.9Å; L476-I497 HydrophobicContact CD1-CB 4.08Å; L476-I497 HydrophobicContact CD1-CG1 3.95Å; L476-I497 HydrophobicContact CD1-CG2 3.83Å; L476-Y500 HydrophobicContact CB-CD1 4.03Å; L476-Y500 HydrophobicContact CB-CE1 4.15Å; L476-Y500 HydrophobicContact CD1-CD1 3.8Å; L476-Y500 HydrophobicContact CD1-CG 4.44Å; L476-Y500 HydrophobicContact CD2-CD1 4.47Å; L476-Y500 HydrophobicContact CG-CD1 4.31Å; L476-I504 HydrophobicContact CD2-CD1 4.48Å
477T87.4Confident80.8Confident42 Ų4245.7 Ų45.726%0.25824%0.241SC..Hα-helixtrans-65.2-45177.652.80000111.4F91 A473 G474 Y479 A480 H481F91-T477 HydrophobicContact CE2-CG2 4.03Å; A473-T477 WeakPolarHBondContact O-CB 3.43Å; A473-T477 VanDerWaalsContact O-CG2 3.27Å; A473-T477 WeakPolarHBondContact O-CG2 3.48Å; A473-T477 PolarHBondContact O-N 3.44Å; A473-T477 PolarHBondContact O-OG1 2.83Å; G474-T477 PolarHBondContact O-N 3.35Å; G474-T477 PolarHBondContact O-OG1 3.15Å; T477-Y479 PolarHBondContact O-N 3.39Å; T477-A480 WeakPolarHBondContact O-CB 3.46Å; T477-A480 PolarHBondContact O-N 3.28Å; T477-H481 PolarHBondContact O-N 3.24Å; T477-H481 PolarHBondContact O-ND1 3.29Å
478V87.5Confident80.1Confident0 Ų046.6 Ų46.60%025%0.245CC..Hα-helixtrans-59.9-46.2175.9174.90000111.1L72 L83 F84 Y87 G474 F475 A480 H481 L482L72-V478 HydrophobicContact CD2-CG1 4.3Å; L83-V478 HydrophobicContact CD1-CG1 4.24Å; L83-V478 HydrophobicContact CD2-CG1 4.12Å; L83-V478 HydrophobicContact CG-CG1 4.2Å; F84-V478 HydrophobicContact CD1-CG2 3.95Å; F84-V478 HydrophobicContact CE1-CG2 4.18Å; Y87-V478 HydrophobicContact CD2-CG1 4Å; Y87-V478 HydrophobicContact CD2-CG2 4.37Å; Y87-V478 HydrophobicContact CE2-CG1 4.33Å; Y87-V478 HydrophobicContact CG-CG1 4.26Å; Y87-V478 HydrophobicContact CG-CG2 4.26Å; G474-V478 VanDerWaalsContact O-CG2 3.24Å; G474-V478 WeakPolarHBondContact O-CG2 3.39Å; G474-V478 PolarHBondContact O-N 3.28Å; F475-V478 PolarHBondContact O-N 3.24Å; V478-A480 VanDerWaalsContact C-N 3.32Å; V478-A480 PolarHBondContact O-N 3Å; V478-H481 PolarHBondContact O-N 3.01Å; V478-H481 VanDerWaalsContact O-N 3.16Å; V478-L482 HydrophobicContact CG1-CD1 4.03Å; V478-L482 HydrophobicContact CG1-CG 4.38Å; V478-L482 WeakPolarHBondContact O-CG 3.26Å; V478-L482 PolarHBondContact O-N 3.4Å
479Y86.8Confident79.7Confident9 Ų950 Ų504%0.03527%0.266CS..Hα-helixtrans-61.9-39.3178-175.3-108.2000112.4L68 L72 F475 L476 T477 H481 L482 E488 K493 I496 I497L68-Y479 HydrophobicContact CD1-CD1 4.13Å; L68-Y479 HydrophobicContact CD1-CD2 3.47Å; L68-Y479 VanDerWaalsContact CD1-CD2 3.47Å; L68-Y479 HydrophobicContact CD1-CE2 3.95Å; L68-Y479 HydrophobicContact CD1-CG 3.59Å; L72-Y479 HydrophobicContact CD2-CD2 3.98Å; F475-Y479 VanDerWaalsContact O-CB 3.3Å; F475-Y479 WeakPolarHBondContact O-CB 3.46Å; F475-Y479 PolarHBondContact O-N 3.47Å; L476-Y479 PolarHBondContact O-N 3.1Å; T477-Y479 PolarHBondContact O-N 3.39Å; Y479-H481 VanDerWaalsContact C-N 3.34Å; Y479-H481 PolarHBondContact O-N 3.46Å; Y479-L482 PolarHBondContact O-N 2.76Å; Y479-E488 PolarHBondContact OH-OE1 3.44Å; Y479-K493 HydrophobicContact CE1-CG 3.72Å; Y479-K493 WeakPolarHBondContact O-CE 3.16Å; Y479-K493 PolarHBondContact O-NZ 2.71Å; Y479-I496 HydrophobicContact CE1-CB 4.23Å; Y479-I496 HydrophobicContact CE1-CG2 3.9Å; Y479-I496 WeakPolarHBondContact OH-CD1 3.44Å; Y479-I497 HydrophobicContact CD1-CD1 4.24Å; Y479-I497 HydrophobicContact CD1-CG1 3.8Å; Y479-I497 HydrophobicContact CE1-CD1 4.42Å; Y479-I497 HydrophobicContact CE1-CG1 3.99Å
480A85.4Confident79.4Confident49 Ų4952.3 Ų52.341%0.40528%0.284SS..Hα-helixtrans-61.6-39.8174.300000112.2L476 T477 V478 K493 I497L476-A480 WeakPolarHBondContact O-CB 3.27Å; L476-A480 PolarHBondContact O-N 2.9Å; T477-A480 WeakPolarHBondContact O-CB 3.46Å; T477-A480 PolarHBondContact O-N 3.28Å; V478-A480 VanDerWaalsContact C-N 3.32Å; V478-A480 PolarHBondContact O-N 3Å; A480-K493 PolarHBondContact O-NZ 2.91Å; A480-I497 HydrophobicContact CB-CD1 4.42Å
481H82.9Confident79.2Confident84 Ų8458.7 Ų58.739%0.38932%0.315SS..Hα-helixtrans-74.3-27.7179.1-72.790.2000114.1Y87 T477 V478 Y479 R483Y87-H481 HydrophobicContact CD1-CB 4.21Å; T477-H481 PolarHBondContact O-N 3.24Å; T477-H481 PolarHBondContact O-ND1 3.29Å; V478-H481 PolarHBondContact O-N 3.01Å; V478-H481 VanDerWaalsContact O-N 3.16Å; Y479-H481 VanDerWaalsContact C-N 3.34Å; Y479-H481 PolarHBondContact O-N 3.46Å; H481-R483 PolarHBondContact O-N 3.21Å
482L79.7Confident79Confident27 Ų2761.8 Ų61.814%0.14133%0.333CS..SBendtrans-67.5132.6-179.2-75.2167.9000111.7L72 Y87 V478 Y479 G484 K493L72-L482 HydrophobicContact CD2-CD1 3.22Å; Y87-L482 HydrophobicContact CE1-CD2 4.37Å; Y87-L482 WeakPolarHBondContact OH-CD2 3.48Å; V478-L482 HydrophobicContact CG1-CD1 4.03Å; V478-L482 HydrophobicContact CG1-CG 4.38Å; V478-L482 WeakPolarHBondContact O-CG 3.26Å; V478-L482 PolarHBondContact O-N 3.4Å; Y479-L482 PolarHBondContact O-N 2.76Å; L482-G484 PolarHBondContact O-N 3.04Å; L482-K493 PolarHBondContact O-NZ 2.97Å
483R70.6Confident78.8Confident192 Ų19263.4 Ų63.473%0.72534%0.34SS*.PPolyproline II helixtrans-66.1125.8171.5-71.4-177-179.4176-0.5109.6R75 H481R75-R483 PolarHBondContact NH1-O 2.77Å; R75-R483 PolarHBondContact NH2-O 3.37Å; H481-R483 PolarHBondContact O-N 3.21Å
484G63.2Low78.7Confident42 Ų4265.7 Ų65.743%0.43335%0.351SS..PPolyproline II helixtrans-56.5151.4176.700000112.1L482L482-G484 PolarHBondContact O-N 3.04Å
485S64.1Low78.5Confident39 Ų3970.3 Ų70.327%0.27338%0.375SS..PPolyproline II helixtrans-74.6162.6169.371.60000110.8I487 E488S485-I487 PolarHBondContact O-N 3.45Å; S485-E488 PolarHBondContact N-OE2 3.47Å; S485-E488 PolarHBondContact O-N 3.16Å
486K61.3Low78.3Confident223 Ų22371.9 Ų71.997%0.9738%0.383SS*.THydrogen-bonded Turntrans-53.9-23.1174.1-68.4-173.4178.3-175.70114.2
487I61.3Low78.2Confident112 Ų11272.2 Ų72.257%0.57438%0.384SS*.THydrogen-bonded Turntrans-80.9-25-179.7-63164.3000111.4S485 T489S485-I487 PolarHBondContact O-N 3.45Å; I487-T489 PolarHBondContact O-N 3.04Å
488E66.8Low78.2Confident25 Ų2573.3 Ų73.312%0.11739%0.393CS..  trans-92.4107.9179.4-71.4175.3132.900109.8R71 Y479 S485R71-E488 IonicContact CZ-OE1 3Å; R71-E488 IonicContact CZ-OE2 2.63Å; R71-E488 IonicContact NH1-OE1 3.53Å; R71-E488 PolarHBondContact NH1-OE1 3.25Å; R71-E488 IonicContact NH1-OE2 2.83Å; R71-E488 IonicContact NH2-OE1 3.54Å; R71-E488 PolarHBondContact NH2-OE1 3.41Å; R71-E488 IonicContact NH2-OE2 3.94Å; R71-E488 PolarHBondContact NH2-OE2 3.26Å; Y479-E488 PolarHBondContact OH-OE1 3.44Å; S485-E488 PolarHBondContact N-OE2 3.47Å; S485-E488 PolarHBondContact O-N 3.16Å
489T76.2Confident78.2Confident75 Ų7577 Ų7746%0.4641%0.412SS..  trans-60.4151.3159.660.70000109I487 M491 V492 K493I487-T489 PolarHBondContact O-N 3.04Å; T489-M491 PolarHBondContact O-N 3.23Å; T489-M491 VanDerWaalsContact O-N 3.08Å; T489-V492 PolarHBondContact O-N 3.47Å; T489-V492 VanDerWaalsContact O-N 3.16Å; T489-V492 WeakPolarHBondContact OG1-CG2 3.46Å; T489-V492 PolarHBondContact OG1-N 2.94Å; T489-K493 PolarHBondContact O-N 2.98Å
490P78.5Confident78.2Confident105 Ų10576.8 Ų76.868%0.68241%0.411SS*.Hα-helixtrans-52.9-29.8172.421.6-33.2000112.1K493 T494P490-K493 PolarHBondContact O-N 3.44Å; P490-T494 PolarHBondContact O-N 3.49Å; P490-T494 VanDerWaalsContact O-N 3.14Å; P490-T494 PolarHBondContact O-OG1 2.78Å; P490-T494 VanDerWaalsContact O-OG1 3.09Å
491M81.4Confident78.2Confident138 Ų13876.3 Ų76.368%0.6841%0.407SS*.Hα-helixtrans-61.9-50.4176.3-63.9-59.4-170.900113.2T489 K493 T494 I495T489-M491 PolarHBondContact O-N 3.23Å; T489-M491 VanDerWaalsContact O-N 3.08Å; M491-K493 VanDerWaalsContact C-N 3.25Å; M491-K493 PolarHBondContact O-N 3.13Å; M491-T494 PolarHBondContact O-N 3.38Å; M491-T494 VanDerWaalsContact O-N 3.16Å; M491-I495 WeakPolarHBondContact O-CG1 3.21Å; M491-I495 PolarHBondContact O-N 3.36Å
492V83.3Confident78.5Confident64 Ų6477.3 Ų77.339%0.38841%0.414SS..Hα-helixtrans-60.9-38.9-179.91720000111T489 I495 I496T489-V492 PolarHBondContact O-N 3.47Å; T489-V492 VanDerWaalsContact O-N 3.16Å; T489-V492 WeakPolarHBondContact OG1-CG2 3.46Å; T489-V492 PolarHBondContact OG1-N 2.94Å; V492-I495 PolarHBondContact O-N 3.17Å; V492-I496 HydrophobicContact CG1-CD1 3.83Å; V492-I496 HydrophobicContact CG1-CG1 4.48Å; V492-I496 WeakPolarHBondContact O-CG1 3.16Å; V492-I496 PolarHBondContact O-N 3.27Å
493K82.8Confident78.8Confident38 Ų3876.8 Ų76.817%0.16541%0.412CS..Hα-helixtrans-62-45.1177.1-173.5177.5175.3-178.40111.5Y479 A480 L482 T489 P490 M491 I496 I497Y479-K493 HydrophobicContact CE1-CG 3.72Å; Y479-K493 WeakPolarHBondContact O-CE 3.16Å; Y479-K493 PolarHBondContact O-NZ 2.71Å; A480-K493 PolarHBondContact O-NZ 2.91Å; L482-K493 PolarHBondContact O-NZ 2.97Å; T489-K493 PolarHBondContact O-N 2.98Å; P490-K493 PolarHBondContact O-N 3.44Å; M491-K493 VanDerWaalsContact C-N 3.25Å; M491-K493 PolarHBondContact O-N 3.13Å; K493-I496 PolarHBondContact O-N 2.72Å; K493-I497 HydrophobicContact CG-CD1 4.09Å; K493-I497 VanDerWaalsContact O-CG1 3.25Å; K493-I497 WeakPolarHBondContact O-CG1 3.35Å; K493-I497 PolarHBondContact O-N 3.29Å; K493-I497 VanDerWaalsContact O-N 3.09Å
494T85.2Confident79.5Confident79 Ų7969 Ų6949%0.48538%0.384SS..Hα-helixtrans-63.4-42.7177.1-55.10000111.5P490 M491 I496 I497 C498P490-T494 PolarHBondContact O-N 3.49Å; P490-T494 VanDerWaalsContact O-N 3.14Å; P490-T494 PolarHBondContact O-OG1 2.78Å; P490-T494 VanDerWaalsContact O-OG1 3.09Å; M491-T494 PolarHBondContact O-N 3.38Å; M491-T494 VanDerWaalsContact O-N 3.16Å; T494-I496 PolarHBondContact O-N 3.06Å; T494-I497 WeakPolarHBondContact O-CB 3.49Å; T494-I497 PolarHBondContact O-N 3.35Å; T494-C498 PolarHBondContact O-N 3.39Å; T494-C498 PolarHBondContact O-SG 2.99Å
495I86.3Confident80.6Confident97 Ų9771.3 Ų71.350%0.49739%0.39SS..Hα-helixtrans-60.3-46.2177.9-67.4165.9000111.2M491 V492 I497 C498 I499M491-I495 WeakPolarHBondContact O-CG1 3.21Å; M491-I495 PolarHBondContact O-N 3.36Å; V492-I495 PolarHBondContact O-N 3.17Å; I495-I497 VanDerWaalsContact C-N 3.3Å; I495-I497 PolarHBondContact O-N 3.09Å; I495-C498 PolarHBondContact O-N 2.9Å; I495-I499 HydrophobicContact CG2-CD1 3.77Å; I495-I499 HydrophobicContact CG2-CG1 4.36Å; I495-I499 WeakPolarHBondContact O-CG1 3.28Å; I495-I499 PolarHBondContact O-N 2.87Å
496I84.9Confident81.6Confident33 Ų3373 Ų7317%0.16940%0.399CS..Hα-helixtrans-61.2-41.4177.8-68.3166.1000110.8Y67 Y479 V492 K493 T494 Y500Y67-I496 HydrophobicContact CE1-CD1 4.26Å; Y479-I496 HydrophobicContact CE1-CB 4.23Å; Y479-I496 HydrophobicContact CE1-CG2 3.9Å; Y479-I496 WeakPolarHBondContact OH-CD1 3.44Å; V492-I496 HydrophobicContact CG1-CD1 3.83Å; V492-I496 HydrophobicContact CG1-CG1 4.48Å; V492-I496 WeakPolarHBondContact O-CG1 3.16Å; V492-I496 PolarHBondContact O-N 3.27Å; K493-I496 PolarHBondContact O-N 2.72Å; T494-I496 PolarHBondContact O-N 3.06Å; I496-Y500 VanDerWaalsContact O-CB 3.29Å; I496-Y500 WeakPolarHBondContact O-CB 3.41Å; I496-Y500 PolarHBondContact O-N 3.3Å
497I86.5Confident82.8Confident44 Ų4462.5 Ų62.523%0.22635%0.353CS..Hα-helixtrans-61.5-44.7176-71.3168.4000110.7L476 Y479 A480 K493 T494 I495 Y500 A501L476-I497 HydrophobicContact CD1-CB 4.08Å; L476-I497 HydrophobicContact CD1-CG1 3.95Å; L476-I497 HydrophobicContact CD1-CG2 3.83Å; Y479-I497 HydrophobicContact CD1-CD1 4.24Å; Y479-I497 HydrophobicContact CD1-CG1 3.8Å; Y479-I497 HydrophobicContact CE1-CD1 4.42Å; Y479-I497 HydrophobicContact CE1-CG1 3.99Å; A480-I497 HydrophobicContact CB-CD1 4.42Å; K493-I497 HydrophobicContact CG-CD1 4.09Å; K493-I497 VanDerWaalsContact O-CG1 3.25Å; K493-I497 WeakPolarHBondContact O-CG1 3.35Å; K493-I497 PolarHBondContact O-N 3.29Å; K493-I497 VanDerWaalsContact O-N 3.09Å; T494-I497 WeakPolarHBondContact O-CB 3.49Å; T494-I497 PolarHBondContact O-N 3.35Å; I495-I497 VanDerWaalsContact C-N 3.3Å; I495-I497 PolarHBondContact O-N 3.09Å; I497-Y500 PolarHBondContact O-N 3.47Å; I497-A501 WeakPolarHBondContact O-CB 3.23Å; I497-A501 PolarHBondContact O-N 3.41Å
498C87.9Confident84Confident65 Ų6558.9 Ų58.944%0.43934%0.338SS..Hα-helixtrans-64.8-46.5178.3-690000112.4T494 I495 Y500 A501 I502T494-C498 PolarHBondContact O-N 3.39Å; T494-C498 PolarHBondContact O-SG 2.99Å; I495-C498 PolarHBondContact O-N 2.9Å; C498-Y500 VanDerWaalsContact C-N 3.3Å; C498-Y500 PolarHBondContact O-N 3.01Å; C498-A501 WeakPolarHBondContact O-CB 3.24Å; C498-A501 PolarHBondContact O-N 3.35Å; C498-I502 WeakPolarHBondContact O-CG1 3.42Å; C498-I502 PolarHBondContact O-N 3.11Å
499I87.7Confident85Confident78 Ų7859.7 Ų59.740%0.435%0.352SS..Hα-helixtrans-58.9-47176.7-68.9169.2000109.7P64 I495 I502 L503P64-I499 HydrophobicContact CB-CG2 4.37Å; I495-I499 HydrophobicContact CG2-CD1 3.77Å; I495-I499 HydrophobicContact CG2-CG1 4.36Å; I495-I499 WeakPolarHBondContact O-CG1 3.28Å; I495-I499 PolarHBondContact O-N 2.87Å; I499-I502 PolarHBondContact O-N 3.29Å; I499-L503 HydrophobicContact CG2-CD1 3.84Å; I499-L503 HydrophobicContact CG2-CG 4.34Å; I499-L503 VanDerWaalsContact O-CG 3.27Å; I499-L503 WeakPolarHBondContact O-CG 3.34Å; I499-L503 PolarHBondContact O-N 3.09Å
500Y85.5Confident85.6Confident3 Ų356.8 Ų56.81%0.01233%0.334CS..Hα-helixtrans-61-48.7177.9-161.4-105.4000110.4I65 L68 W299 V472 L476 I496 I497 C498 I502 L503 I504I65-Y500 HydrophobicContact CB-CE2 4.45Å; I65-Y500 HydrophobicContact CG1-CD2 4.36Å; I65-Y500 HydrophobicContact CG1-CE2 3.89Å; L68-Y500 HydrophobicContact CD2-CD1 4.14Å; L68-Y500 HydrophobicContact CD2-CD2 3.7Å; L68-Y500 HydrophobicContact CD2-CE1 4.05Å; L68-Y500 HydrophobicContact CD2-CE2 3.6Å; L68-Y500 HydrophobicContact CD2-CG 3.99Å; W299-Y500 WeakPolarHBondContact CH2-OH 3.29Å; V472-Y500 HydrophobicContact CB-CE1 4.5Å; V472-Y500 HydrophobicContact CG1-CE1 3.89Å; L476-Y500 HydrophobicContact CB-CD1 4.03Å; L476-Y500 HydrophobicContact CB-CE1 4.15Å; L476-Y500 HydrophobicContact CD1-CD1 3.8Å; L476-Y500 HydrophobicContact CD1-CG 4.44Å; L476-Y500 HydrophobicContact CD2-CD1 4.47Å; L476-Y500 HydrophobicContact CG-CD1 4.31Å; I496-Y500 VanDerWaalsContact O-CB 3.29Å; I496-Y500 WeakPolarHBondContact O-CB 3.41Å; I496-Y500 PolarHBondContact O-N 3.3Å; I497-Y500 PolarHBondContact O-N 3.47Å; C498-Y500 VanDerWaalsContact C-N 3.3Å; C498-Y500 PolarHBondContact O-N 3.01Å; Y500-I502 VanDerWaalsContact C-N 3.31Å; Y500-I502 PolarHBondContact O-N 3.35Å; Y500-L503 PolarHBondContact O-N 2.71Å; Y500-I504 HydrophobicContact CD1-CD1 3.37Å; Y500-I504 HydrophobicContact CD1-CG1 4.12Å; Y500-I504 HydrophobicContact CE1-CD1 3.58Å; Y500-I504 HydrophobicContact CE1-CG1 4.15Å; Y500-I504 HydrophobicContact CG-CD1 4.19Å; Y500-I504 WeakPolarHBondContact O-CD1 3Å; Y500-I504 WeakPolarHBondContact O-CG1 3.38Å; Y500-I504 PolarHBondContact O-N 3.35Å
501A86.5Confident86Confident39 Ų3951.9 Ų51.932%0.32230%0.302SS..Hα-helixtrans-51.4-46.217500000113I497 C498 I504 T505I497-A501 WeakPolarHBondContact O-CB 3.23Å; I497-A501 PolarHBondContact O-N 3.41Å; C498-A501 WeakPolarHBondContact O-CB 3.24Å; C498-A501 PolarHBondContact O-N 3.35Å; A501-I504 WeakPolarHBondContact O-CB 3.45Å; A501-I504 PolarHBondContact O-N 3.11Å; A501-T505 WeakPolarHBondContact O-CG2 3.49Å; A501-T505 PolarHBondContact O-N 3.07Å
502I88.7Confident86.2Confident105 Ų10548.1 Ų48.154%0.53829%0.286SS..Hα-helixtrans-63.7-50.6178-66.5164.4000110.9C498 I499 Y500 I504 T505 V506C498-I502 WeakPolarHBondContact O-CG1 3.42Å; C498-I502 PolarHBondContact O-N 3.11Å; I499-I502 PolarHBondContact O-N 3.29Å; Y500-I502 VanDerWaalsContact C-N 3.31Å; Y500-I502 PolarHBondContact O-N 3.35Å; I502-I504 PolarHBondContact O-N 2.87Å; I502-I504 VanDerWaalsContact O-N 3.17Å; I502-T505 PolarHBondContact O-N 3.31Å; I502-T505 VanDerWaalsContact O-N 3.08Å; I502-T505 PolarHBondContact O-OG1 3.42Å; I502-V506 WeakPolarHBondContact O-CG2 3.47Å; I502-V506 PolarHBondContact O-N 3.41Å
503L87.1Confident86.4Confident17 Ų1747.7 Ų47.79%0.08928%0.278CS..Hα-helixtrans-58.7-33.3-179.1-67.2171.8000112.4I60 Y61 P64 I499 Y500 S507I60-L503 HydrophobicContact CG2-CD2 4.06Å; Y61-L503 HydrophobicContact CD2-CB 4.17Å; Y61-L503 HydrophobicContact CD2-CD2 4.07Å; Y61-L503 HydrophobicContact CE2-CB 4.29Å; P64-L503 HydrophobicContact CB-CD1 4.08Å; P64-L503 HydrophobicContact CG-CD1 3.32Å; I499-L503 HydrophobicContact CG2-CD1 3.84Å; I499-L503 HydrophobicContact CG2-CG 4.34Å; I499-L503 VanDerWaalsContact O-CG 3.27Å; I499-L503 WeakPolarHBondContact O-CG 3.34Å; I499-L503 PolarHBondContact O-N 3.09Å; Y500-L503 PolarHBondContact O-N 2.71Å; L503-S507 WeakPolarHBondContact O-CB 3.43Å; L503-S507 PolarHBondContact O-N 3.49Å
504I83.6Confident86.6Confident29 Ų2946.8 Ų46.815%0.14927%0.274CS..Hα-helixtrans-67.6-48.1176.4-62160000111.1L469 V472 L476 Y500 A501 I502 V506 S507 S508L469-I504 HydrophobicContact CD2-CG2 4.31Å; V472-I504 HydrophobicContact CB-CD1 4.42Å; V472-I504 HydrophobicContact CB-CG1 4.33Å; V472-I504 HydrophobicContact CG1-CB 3.91Å; V472-I504 HydrophobicContact CG1-CD1 2.98Å; V472-I504 HydrophobicContact CG1-CG1 3.09Å; V472-I504 HydrophobicContact CG1-CG2 3.53Å; V472-I504 HydrophobicContact CG2-CG1 4.28Å; L476-I504 HydrophobicContact CD2-CD1 4.48Å; Y500-I504 HydrophobicContact CD1-CD1 3.37Å; Y500-I504 HydrophobicContact CD1-CG1 4.12Å; Y500-I504 HydrophobicContact CE1-CD1 3.58Å; Y500-I504 HydrophobicContact CE1-CG1 4.15Å; Y500-I504 HydrophobicContact CG-CD1 4.19Å; Y500-I504 WeakPolarHBondContact O-CD1 3Å; Y500-I504 WeakPolarHBondContact O-CG1 3.38Å; Y500-I504 PolarHBondContact O-N 3.35Å; A501-I504 WeakPolarHBondContact O-CB 3.45Å; A501-I504 PolarHBondContact O-N 3.11Å; I502-I504 PolarHBondContact O-N 2.87Å; I502-I504 VanDerWaalsContact O-N 3.17Å; I504-V506 PolarHBondContact O-N 3.32Å; I504-S507 PolarHBondContact O-N 2.88Å; I504-S508 WeakPolarHBondContact O-CB 3.28Å; I504-S508 PolarHBondContact O-N 3.41Å
505T86.9Confident86.5Confident89 Ų8944.9 Ų44.955%0.54626%0.26SS..Hα-helixtrans-60.6-37.9179.756.70000111.3A501 I502 S508 G509A501-T505 WeakPolarHBondContact O-CG2 3.49Å; A501-T505 PolarHBondContact O-N 3.07Å; I502-T505 PolarHBondContact O-N 3.31Å; I502-T505 VanDerWaalsContact O-N 3.08Å; I502-T505 PolarHBondContact O-OG1 3.42Å; T505-S508 PolarHBondContact O-OG 3.37Å; T505-G509 PolarHBondContact O-N 3.39Å; T505-G509 VanDerWaalsContact O-N 3.16Å
506V86.4Confident86.3Confident76 Ų7647 Ų4746%0.46127%0.266SS..Hα-helixtrans-66-49.3173.8175.70000110.7I502 I504 S508 G509 I510I502-V506 WeakPolarHBondContact O-CG2 3.47Å; I502-V506 PolarHBondContact O-N 3.41Å; I504-V506 PolarHBondContact O-N 3.32Å; V506-S508 VanDerWaalsContact C-N 3.33Å; V506-S508 PolarHBondContact O-N 3Å; V506-G509 PolarHBondContact O-N 2.98Å; V506-I510 HydrophobicContact CG1-CD1 3.92Å; V506-I510 WeakPolarHBondContact O-CG1 3.38Å; V506-I510 PolarHBondContact O-N 3.39Å
507S85.9Confident86Confident2 Ų245.8 Ų45.81%0.01426%0.26CS..Hα-helixtrans-59.7-41.9178.1-178.60000112Y61 L503 I504 G509 I510 Y511Y61-S507 WeakPolarHBondContact OH-CB 3.31Å; Y61-S507 PolarHBondContact OH-OG 3.47Å; L503-S507 WeakPolarHBondContact O-CB 3.43Å; L503-S507 PolarHBondContact O-N 3.49Å; I504-S507 PolarHBondContact O-N 2.88Å; S507-G509 VanDerWaalsContact C-N 3.33Å; S507-G509 PolarHBondContact O-N 2.98Å; S507-I510 PolarHBondContact O-N 3.2Å; S507-Y511 VanDerWaalsContact O-CD2 3.24Å; S507-Y511 WeakPolarHBondContact O-CD2 3.37Å; S507-Y511 PolarHBondContact O-N 3Å; S507-Y511 WeakPolarHBondContact OG-CD2 3.44Å; S507-Y511 WeakPolarHBondContact OG-CE2 3.32Å
508S86.1Confident85.2Confident36 Ų3645 Ų4525%0.25226%0.258SS..Hα-helixtrans-61.2-44.8178.880.90000110.6L469 I504 T505 V506 I510 Y511 T512L469-S508 VanDerWaalsContact CD2-CB 3.45Å; I504-S508 WeakPolarHBondContact O-CB 3.28Å; I504-S508 PolarHBondContact O-N 3.41Å; T505-S508 PolarHBondContact O-OG 3.37Å; V506-S508 VanDerWaalsContact C-N 3.33Å; V506-S508 PolarHBondContact O-N 3Å; S508-I510 PolarHBondContact O-N 2.98Å; S508-Y511 PolarHBondContact O-N 3.39Å; S508-T512 WeakPolarHBondContact O-CB 3.07Å; S508-T512 PolarHBondContact O-N 3.24Å; S508-T512 PolarHBondContact O-OG1 3.25Å
509G88.3Confident84.3Confident41 Ų4146.9 Ų46.942%0.42327%0.272SS..Hα-helixtrans-58.3-46.2175.900000112.7T505 V506 S507 T512 W513T505-G509 PolarHBondContact O-N 3.39Å; T505-G509 VanDerWaalsContact O-N 3.16Å; V506-G509 PolarHBondContact O-N 2.98Å; S507-G509 VanDerWaalsContact C-N 3.33Å; S507-G509 PolarHBondContact O-N 2.98Å; G509-T512 PolarHBondContact O-N 3.45Å; G509-W513 PolarHBondContact O-N 3.48Å
510I87.8Confident83.5Confident14 Ų1446 Ų467%0.07227%0.266CS..Hα-helixtrans-64.9-46.2179.9-62.3169.3000111.2L286 F289 V290 V506 S507 S508 T512 W513 Y514L286-I510 HydrophobicContact CB-CG2 4.42Å; L286-I510 HydrophobicContact CD2-CB 4.34Å; L286-I510 HydrophobicContact CD2-CD1 4.49Å; L286-I510 HydrophobicContact CD2-CG1 3.81Å; L286-I510 HydrophobicContact CD2-CG2 3.95Å; F289-I510 HydrophobicContact CB-CD1 4.46Å; F289-I510 HydrophobicContact CB-CG2 4.21Å; F289-I510 HydrophobicContact CD1-CB 4.1Å; F289-I510 HydrophobicContact CD1-CD1 3.78Å; F289-I510 HydrophobicContact CD1-CG2 3.57Å; F289-I510 HydrophobicContact CD2-CD1 3.89Å; F289-I510 HydrophobicContact CE1-CB 4.29Å; F289-I510 HydrophobicContact CE1-CD1 3.88Å; F289-I510 HydrophobicContact CE1-CG2 4.24Å; F289-I510 HydrophobicContact CE2-CD1 4Å; F289-I510 HydrophobicContact CG-CD1 3.78Å; F289-I510 HydrophobicContact CG-CG2 4.11Å; F289-I510 HydrophobicContact CZ-CD1 3.98Å; V290-I510 HydrophobicContact CG2-CG2 4.04Å; V506-I510 HydrophobicContact CG1-CD1 3.92Å; V506-I510 WeakPolarHBondContact O-CG1 3.38Å; V506-I510 PolarHBondContact O-N 3.39Å; S507-I510 PolarHBondContact O-N 3.2Å; S508-I510 PolarHBondContact O-N 2.98Å; I510-T512 VanDerWaalsContact C-N 3.34Å; I510-T512 PolarHBondContact O-N 3.03Å; I510-W513 WeakPolarHBondContact O-CB 3.29Å; I510-W513 PolarHBondContact O-N 3.39Å; I510-Y514 PolarHBondContact O-N 3.3Å
511Y86.4Confident82.8Confident2 Ų252.2 Ų52.21%0.00829%0.293CS..Hα-helixtrans-66.7-36.1178.3-84.5-74.4000112.3F289 V290 S293 L465 V468 S507 S508 Y514 I515F289-Y511 HydrophobicContact CE1-CE2 4.26Å; V290-Y511 HydrophobicContact CB-CE1 4.42Å; V290-Y511 HydrophobicContact CG1-CD1 4.33Å; V290-Y511 HydrophobicContact CG1-CE1 3.74Å; V290-Y511 HydrophobicContact CG2-CD1 4.16Å; V290-Y511 HydrophobicContact CG2-CE1 4.1Å; S293-Y511 WeakPolarHBondContact CB-OH 3.31Å; S293-Y511 PolarHBondContact OG-OH 3.35Å; L465-Y511 HydrophobicContact CB-CD1 4.46Å; L465-Y511 HydrophobicContact CB-CG 4.34Å; L465-Y511 VanDerWaalsContact CD1-C 3.43Å; L465-Y511 VanDerWaalsContact CD1-CB 3.44Å; V468-Y511 HydrophobicContact CG1-CE2 4.28Å; V468-Y511 HydrophobicContact CG2-CE2 4.31Å; S507-Y511 VanDerWaalsContact O-CD2 3.24Å; S507-Y511 WeakPolarHBondContact O-CD2 3.37Å; S507-Y511 PolarHBondContact O-N 3Å; S507-Y511 WeakPolarHBondContact OG-CD2 3.44Å; S507-Y511 WeakPolarHBondContact OG-CE2 3.32Å; S508-Y511 PolarHBondContact O-N 3.39Å; Y511-Y514 WeakPolarHBondContact O-CB 3.42Å; Y511-Y514 PolarHBondContact O-N 3.27Å; Y511-Y514 VanDerWaalsContact O-N 3.16Å; Y511-I515 WeakPolarHBondContact O-CG1 3.26Å; Y511-I515 PolarHBondContact O-N 2.94Å
512T87.4Confident82Confident59 Ų5950.6 Ų50.636%0.36228%0.279SS..Hα-helixtrans-62.9-45.1175.7-66.10000110.3L465 S508 G509 I510 Y514 I515 F516L465-T512 VanDerWaalsContact CD1-N 3.31Å; L465-T512 WeakPolarHBondContact CD1-OG1 3.4Å; S508-T512 WeakPolarHBondContact O-CB 3.07Å; S508-T512 PolarHBondContact O-N 3.24Å; S508-T512 PolarHBondContact O-OG1 3.25Å; G509-T512 PolarHBondContact O-N 3.45Å; I510-T512 VanDerWaalsContact C-N 3.34Å; I510-T512 PolarHBondContact O-N 3.03Å; T512-Y514 VanDerWaalsContact C-N 3.29Å; T512-Y514 PolarHBondContact O-N 3.42Å; T512-I515 PolarHBondContact O-N 3.29Å; T512-F516 HydrophobicContact CG2-CD2 3.99Å; T512-F516 HydrophobicContact CG2-CE2 3.59Å; T512-F516 WeakPolarHBondContact O-CD2 3.28Å; T512-F516 PolarHBondContact O-N 2.79Å
513W87.1Confident81Confident56 Ų5646.2 Ų46.221%0.21226%0.257CS..Hα-helixtrans-57.6-43.1171.2171.185.1000111.9P280 W283 L286 G509 I510 I515 F516 S517P280-W513 HydrophobicContact CG-CZ2 4.05Å; W283-W513 AromaticContact CD1-CH2 3.62Å; W283-W513 AromaticContact CD1-CZ2 3.73Å; W283-W513 HydrophobicContact CG-CH2 4.2Å; W283-W513 HydrophobicContact CG-CZ2 4.43Å; L286-W513 HydrophobicContact CB-CD2 4.16Å; L286-W513 HydrophobicContact CB-CE3 3.45Å; L286-W513 VanDerWaalsContact CB-CE3 3.45Å; L286-W513 HydrophobicContact CB-CH2 3.66Å; L286-W513 HydrophobicContact CB-CZ2 4.33Å; L286-W513 HydrophobicContact CB-CZ3 3.17Å; L286-W513 HydrophobicContact CD1-CD2 3.52Å; L286-W513 HydrophobicContact CD1-CE3 3.76Å; L286-W513 HydrophobicContact CD1-CG 4.04Å; L286-W513 HydrophobicContact CD1-CH2 4.1Å; L286-W513 HydrophobicContact CD1-CZ2 3.9Å; L286-W513 HydrophobicContact CD1-CZ3 4.04Å; L286-W513 HydrophobicContact CG-CD2 4.38Å; L286-W513 HydrophobicContact CG-CE3 4.13Å; L286-W513 HydrophobicContact CG-CZ3 4.21Å; G509-W513 PolarHBondContact O-N 3.48Å; I510-W513 WeakPolarHBondContact O-CB 3.29Å; I510-W513 PolarHBondContact O-N 3.39Å; W513-I515 VanDerWaalsContact C-N 3.29Å; W513-I515 PolarHBondContact O-N 2.93Å; W513-F516 PolarHBondContact O-N 3.43Å; W513-S517 PolarHBondContact O-N 3.47Å
514Y85.7Confident80.1Confident18 Ų1845.5 Ų45.57%0.07125%0.254CS..Hα-helixtrans-64.4-32.9-179.3-167.9-115.9000112.8V290 H291 R462 I510 Y511 T512 S517V290-Y514 HydrophobicContact CB-CD1 4.26Å; V290-Y514 HydrophobicContact CB-CD2 4.46Å; V290-Y514 HydrophobicContact CB-CE1 4.37Å; V290-Y514 HydrophobicContact CB-CG 4.31Å; V290-Y514 HydrophobicContact CG1-CD1 3.63Å; V290-Y514 HydrophobicContact CG1-CE1 3.56Å; V290-Y514 HydrophobicContact CG1-CG 4.17Å; V290-Y514 HydrophobicContact CG2-CD1 4.09Å; V290-Y514 HydrophobicContact CG2-CD2 4.19Å; V290-Y514 HydrophobicContact CG2-CG 3.82Å; H291-Y514 PolarHBondContact NE2-OH 2.86Å; R462-Y514 HydrophobicContact CB-CD1 4.21Å; R462-Y514 HydrophobicContact CB-CE1 4.27Å; R462-Y514 WeakPolarHBondContact CD-O 3.15Å; R462-Y514 HydrophobicContact CG-CD1 3.59Å; R462-Y514 HydrophobicContact CG-CE1 3.35Å; R462-Y514 HydrophobicContact CG-CG 4.46Å; I510-Y514 PolarHBondContact O-N 3.3Å; Y511-Y514 WeakPolarHBondContact O-CB 3.42Å; Y511-Y514 PolarHBondContact O-N 3.27Å; Y511-Y514 VanDerWaalsContact O-N 3.16Å; T512-Y514 VanDerWaalsContact C-N 3.29Å; T512-Y514 PolarHBondContact O-N 3.42Å; Y514-S517 WeakPolarHBondContact O-CB 3.22Å; Y514-S517 PolarHBondContact O-N 3.01Å; Y514-S517 PolarHBondContact O-OG 3.4Å
515I84.5Confident79.1Confident39 Ų3946.7 Ų46.720%0.226%0.258CS..Hα-helixtrans-64-47.1170.2-67.3169.7000110.2R462 L465 Y511 T512 W513 S517 T518 W548R462-I515 HydrophobicContact CB-CG1 4.48Å; R462-I515 WeakPolarHBondContact O-CG1 3.22Å; L465-I515 HydrophobicContact CB-CD1 3.93Å; L465-I515 HydrophobicContact CD1-CD1 3.62Å; L465-I515 HydrophobicContact CG-CD1 4.31Å; Y511-I515 WeakPolarHBondContact O-CG1 3.26Å; Y511-I515 PolarHBondContact O-N 2.94Å; T512-I515 PolarHBondContact O-N 3.29Å; W513-I515 VanDerWaalsContact C-N 3.29Å; W513-I515 PolarHBondContact O-N 2.93Å; I515-S517 PolarHBondContact O-N 3.18Å; I515-T518 WeakPolarHBondContact O-CB 3.47Å; I515-T518 WeakPolarHBondContact O-CG2 3.34Å; I515-T518 PolarHBondContact O-N 3.38Å; I515-T518 PolarHBondContact O-OG1 2.95Å; I515-W548 HydrophobicContact CG2-CH2 4.34Å
516F82.5Confident78.1Confident143 Ų14346.2 Ų46.263%0.62725%0.249SC*.Hα-helixtrans-62.7-28177.9-74-65.8000113.1T512 W513 T518 S519T512-F516 HydrophobicContact CG2-CD2 3.99Å; T512-F516 HydrophobicContact CG2-CE2 3.59Å; T512-F516 WeakPolarHBondContact O-CD2 3.28Å; T512-F516 PolarHBondContact O-N 2.79Å; W513-F516 PolarHBondContact O-N 3.43Å; F516-T518 PolarHBondContact O-N 2.85Å; F516-T518 VanDerWaalsContact O-N 3.11Å; F516-S519 PolarHBondContact O-N 2.94Å; F516-S519 VanDerWaalsContact O-N 3.14Å; F516-S519 PolarHBondContact O-OG 2.93Å
517S78.1Confident77.3Confident6 Ų642.6 Ų42.64%0.04223%0.227CC..G310 helixtrans-61.5-15.2173.483.60000114W513 Y514 I515 S519 Q520W513-S517 PolarHBondContact O-N 3.47Å; Y514-S517 WeakPolarHBondContact O-CB 3.22Å; Y514-S517 PolarHBondContact O-N 3.01Å; Y514-S517 PolarHBondContact O-OG 3.4Å; I515-S517 PolarHBondContact O-N 3.18Å; S517-S519 PolarHBondContact O-N 2.91Å; S517-Q520 WeakPolarHBondContact O-CB 3.27Å; S517-Q520 PolarHBondContact O-N 3.47Å; S517-Q520 VanDerWaalsContact O-N 3.09Å
518T69Low76.1Confident28 Ų2851.1 Ų51.117%0.17226%0.259CS..G310 helixtrans-54.1-32.9169.643.80000113.7R462 I515 F516 Q520 W548R462-T518 HydrophobicContact CG-CG2 4.42Å; I515-T518 WeakPolarHBondContact O-CB 3.47Å; I515-T518 WeakPolarHBondContact O-CG2 3.34Å; I515-T518 PolarHBondContact O-N 3.38Å; I515-T518 PolarHBondContact O-OG1 2.95Å; F516-T518 PolarHBondContact O-N 2.85Å; F516-T518 VanDerWaalsContact O-N 3.11Å; T518-Q520 PolarHBondContact O-N 3.34Å; T518-W548 HydrophobicContact CG2-CH2 3.65Å; T518-W548 HydrophobicContact CG2-CZ2 3.74Å
519S70Confident75Confident105 Ų10550.1 Ų50.173%0.73425%0.252SS*.G310 helixtrans-72.2-15.3-178.163.60000112.9F516 S517F516-S519 PolarHBondContact O-N 2.94Å; F516-S519 VanDerWaalsContact O-N 3.14Å; F516-S519 PolarHBondContact O-OG 2.93Å; S517-S519 PolarHBondContact O-N 2.91Å
520Q71.1Confident73.5Confident58 Ų5851.8 Ų51.827%0.27125%0.246SC..SBendtrans-80.3148.1177.9-61.6-177.4-21.200110.6Q279 S517 T518Q279-Q520 PolarHBondContact O-NE2 2.76Å; S517-Q520 WeakPolarHBondContact O-CB 3.27Å; S517-Q520 PolarHBondContact O-N 3.47Å; S517-Q520 VanDerWaalsContact O-N 3.09Å; T518-Q520 PolarHBondContact O-N 3.34Å
521K69.9Low72Confident134 Ų13451.2 Ų51.258%0.58324%0.243SC*.PPolyproline II helixtrans-64.8142174.6-65.5-178.9-178.2177.90109.7F525K521-F525 HydrophobicContact CB-CB 4.4Å; K521-F525 HydrophobicContact CB-CG 4.46Å; K521-F525 HydrophobicContact CD-CD1 3.97Å; K521-F525 HydrophobicContact CD-CD2 4.48Å; K521-F525 HydrophobicContact CD-CE1 4.06Å; K521-F525 HydrophobicContact CD-CG 4.21Å; K521-F525 HydrophobicContact CD-CZ 4.36Å
522P70.5Confident70.8Confident6 Ų655.5 Ų55.54%0.03926%0.259CS..PPolyproline II helixtrans-62.4152.2177.329.7-36.4000110.9W458 D524 F525W458-P522 HydrophobicContact CH2-CB 3.78Å; W458-P522 HydrophobicContact CZ2-CB 4.4Å; W458-P522 HydrophobicContact CZ3-CB 3.91Å; P522-D524 VanDerWaalsContact CB-OD1 3.31Å; P522-D524 WeakPolarHBondContact CB-OD1 3.42Å; P522-D524 WeakPolarHBondContact CG-OD1 3.36Å; P522-D524 PolarHBondContact O-N 2.96Å; P522-F525 WeakPolarHBondContact O-CB 3.41Å; P522-F525 PolarHBondContact O-N 2.85Å
523P66.5Low69.2Low12 Ų1252.9 Ų52.98%0.07824%0.243CC..THydrogen-bonded Turntrans-64.3-20.8-173.925.7-34.2000113.4F525P523-F525 VanDerWaalsContact C-N 3.33Å
524D68.5Low67.9Low2 Ų251.7 Ų51.71%0.01124%0.243CC..THydrogen-bonded Turntrans-84.90.5179.672.2-31.2000114R454 P522 Q526 C527 A533R454-D524 IonicContact CZ-OD2 2.6Å; R454-D524 IonicContact NH1-OD2 3.95Å; R454-D524 PolarHBondContact NH1-OD2 3.39Å; R454-D524 VanDerWaalsContact NH2-CG 3.27Å; R454-D524 IonicContact NH2-OD1 2.83Å; R454-D524 PolarHBondContact NH2-OD1 3.13Å; R454-D524 IonicContact NH2-OD2 2.69Å; R454-D524 PolarHBondContact NH2-OD2 3.43Å; P522-D524 VanDerWaalsContact CB-OD1 3.31Å; P522-D524 WeakPolarHBondContact CB-OD1 3.42Å; P522-D524 WeakPolarHBondContact CG-OD1 3.36Å; P522-D524 PolarHBondContact O-N 2.96Å; D524-Q526 VanDerWaalsContact C-N 3.31Å; D524-Q526 PolarHBondContact O-N 2.68Å; D524-Q526 VanDerWaalsContact O-N 3.14Å; D524-C527 WeakPolarHBondContact O-CB 3.37Å; D524-C527 PolarHBondContact O-N 2.86Å; D524-C527 VanDerWaalsContact O-N 3.15Å; D524-A533 PolarHBondContact OD2-N 3.37Å; D524-A533 VanDerWaalsContact OD2-N 3.17Å
525F63.4Low66.6Low55 Ų5558.7 Ų58.724%0.24128%0.28CS..THydrogen-bonded Turntrans-56.3-36.2-169.9-179.8-103.8000114.7K521 P522 P523 R532K521-F525 HydrophobicContact CB-CB 4.4Å; K521-F525 HydrophobicContact CB-CG 4.46Å; K521-F525 HydrophobicContact CD-CD1 3.97Å; K521-F525 HydrophobicContact CD-CD2 4.48Å; K521-F525 HydrophobicContact CD-CE1 4.06Å; K521-F525 HydrophobicContact CD-CG 4.21Å; K521-F525 HydrophobicContact CD-CZ 4.36Å; P522-F525 WeakPolarHBondContact O-CB 3.41Å; P522-F525 PolarHBondContact O-N 2.85Å; P523-F525 VanDerWaalsContact C-N 3.33Å; F525-R532 PolarHBondContact O-NE 2.92Å; F525-R532 PolarHBondContact O-NH2 2.96Å
526Q64.9Low65.4Low78 Ų7861.8 Ų61.836%0.36430%0.298SS..THydrogen-bonded Turntrans-101.24.6-177.4-68.4-177-22.600114.4A275 D524A275-Q526 VanDerWaalsContact N-OE1 3.14Å; D524-Q526 VanDerWaalsContact C-N 3.31Å; D524-Q526 PolarHBondContact O-N 2.68Å; D524-Q526 VanDerWaalsContact O-N 3.14Å
527C69.2Low64.5Low0 Ų055 Ų550%027%0.268CS..  trans-80.3138.6-172.8-680000112.9C354 D524 T529 R532C354-C527 WeakPolarHBondContact CA-SG 3.19Å; C354-C527 HydrophobicContact CB-CB 3.52Å; C354-C527 WeakPolarHBondContact CB-SG 3.35Å; C354-C527 WeakPolarHBondContact SG-CA 3.49Å; C354-C527 WeakPolarHBondContact SG-CB 3.26Å; C354-C527 CovalentContact SG-SG 2.04Å; C354-C527 PolarHBondContact SG-SG 3.45Å; D524-C527 WeakPolarHBondContact O-CB 3.37Å; D524-C527 PolarHBondContact O-N 2.86Å; D524-C527 VanDerWaalsContact O-N 3.15Å; C527-T529 PolarHBondContact O-N 3.21Å; C527-R532 WeakPolarHBondContact O-CD 3.32Å; C527-R532 WeakPolarHBondContact O-CG 3.21Å; C527-R532 PolarHBondContact O-NE 3.23Å
528R61.8Low63.6Low181 Ų18154.7 Ų54.768%0.68327%0.266SS*.  trans-87.430.7175.4-65.5-170.2-170.9-172.85113.3
529T62.7Low63.4Low15 Ų1554.1 Ų54.19%0.09226%0.261CS..  trans-88.3154.2177.1560000110.6E166 C354 C527 S531 R532E166-T529 WeakPolarHBondContact OE2-CB 3.24Å; C354-T529 HydrophobicContact CB-CG2 4.19Å; C527-T529 PolarHBondContact O-N 3.21Å; T529-S531 WeakPolarHBondContact CB-OG 3.44Å; T529-S531 PolarHBondContact O-N 3.35Å; T529-S531 PolarHBondContact OG1-OG 3.41Å; T529-R532 WeakPolarHBondContact O-CB 3.44Å; T529-R532 PolarHBondContact O-N 2.84Å; T529-R532 PolarHBondContact OG1-N 3.21Å
530Y56.7Low63.1Low77 Ų7752.5 Ų52.530%0.30224%0.242SC..THydrogen-bonded Turntrans-76.5-19.3175.1179.9-104.9000111.7P162 E166 K167 L170 N171 R176P162-Y530 HydrophobicContact CB-CG 4.28Å; E166-Y530 PolarHBondContact OE2-N 2.97Å; K167-Y530 HydrophobicContact CG-CD1 4.04Å; K167-Y530 HydrophobicContact CG-CE1 4.29Å; L170-Y530 HydrophobicContact CB-CD1 4.23Å; L170-Y530 HydrophobicContact CB-CE1 3.86Å; L170-Y530 HydrophobicContact CD1-CD1 3.55Å; L170-Y530 HydrophobicContact CD1-CE1 3.99Å; N171-Y530 PolarHBondContact ND2-OH 3.35Å; N171-Y530 WeakPolarHBondContact OD1-CE1 3.38Å; N171-Y530 PolarHBondContact OD1-OH 2.93Å; R176-Y530 PolarHBondContact NH1-O 3.45Å; R176-Y530 VanDerWaalsContact NH1-O 3.09Å; R176-Y530 PolarHBondContact NH2-O 2.99Å; R176-Y530 VanDerWaalsContact NH2-O 3.07Å
531S56.1Low62.7Low1 Ų152.9 Ų52.91%0.00725%0.246CC..THydrogen-bonded Turntrans-75.7-7.7169.467.80000114.5E166 V358 T529E166-S531 PolarHBondContact OE1-OG 3.41Å; E166-S531 PolarHBondContact OE2-N 3.28Å; V358-S531 WeakPolarHBondContact CG1-OG 3.32Å; V358-S531 VanDerWaalsContact CG2-OG 3.24Å; V358-S531 WeakPolarHBondContact CG2-OG 3.49Å; T529-S531 WeakPolarHBondContact CB-OG 3.44Å; T529-S531 PolarHBondContact O-N 3.35Å; T529-S531 PolarHBondContact OG1-OG 3.41Å
532R60.4Low62.7Low93 Ų9353.6 Ų53.635%0.35126%0.256SS..SBendtrans-50.5149.1169.1-168.7-159-173.2171-6.1110.6F525 C527 T529 P534F525-R532 PolarHBondContact O-NE 2.92Å; F525-R532 PolarHBondContact O-NH2 2.96Å; C527-R532 WeakPolarHBondContact O-CD 3.32Å; C527-R532 WeakPolarHBondContact O-CG 3.21Å; C527-R532 PolarHBondContact O-NE 3.23Å; T529-R532 WeakPolarHBondContact O-CB 3.44Å; T529-R532 PolarHBondContact O-N 2.84Å; T529-R532 PolarHBondContact OG1-N 3.21Å; R532-P534 WeakPolarHBondContact O-CD 3.48Å
533A55.2Low62.8Low4 Ų455.8 Ų55.83%0.03327%0.265CS..  trans-30.5107.4147.400000112.1D524 D537D524-A533 PolarHBondContact OD2-N 3.37Å; D524-A533 VanDerWaalsContact OD2-N 3.17Å; A533-D537 VanDerWaalsContact CA-OD1 3.25Å; A533-D537 WeakPolarHBondContact CA-OD1 3.41Å; A533-D537 WeakPolarHBondContact CA-OD2 3.44Å; A533-D537 HydrophobicContact CB-CB 4.08Å; A533-D537 WeakPolarHBondContact CB-OD2 3.43Å
534P60.1Low63.4Low30 Ų3059 Ų5920%0.19528%0.281CS..  trans-53.7157.1170.615.5-29.6000111.5Y451 R532 N536 D537Y451-P534 HydrophobicContact CE1-CG 3.53Å; R532-P534 WeakPolarHBondContact O-CD 3.48Å; P534-N536 PolarHBondContact O-N 3.4Å; P534-D537 WeakPolarHBondContact CD-OD1 3.37Å; P534-D537 VanDerWaalsContact O-CB 3.31Å; P534-D537 WeakPolarHBondContact O-CB 3.23Å; P534-D537 PolarHBondContact O-N 3.25Å
535L57.6Low64.1Low165 Ų16565 Ų6586%0.86431%0.312SS*.THydrogen-bonded Turntrans-49.1-30.5175.6-83.1132.2000112.7
536N58.7Low65.2Low105 Ų10565 Ų6556%0.56131%0.314SS*.THydrogen-bonded Turntrans-102.844.2175.5-68-24000113.6P534 N541P534-N536 PolarHBondContact O-N 3.4Å; N536-N541 WeakPolarHBondContact CA-ND2 3.18Å; N536-N541 PolarHBondContact OD1-ND2 3.45Å; N536-N541 VanDerWaalsContact OD1-ND2 3.1Å
537D65Low66.1Low0 Ų061.2 Ų61.20%030%0.297CS..  trans-60.8130.1-177.8-13323.7000111.4R454 A533 P534 I539 Q540 N541R454-D537 IonicContact CZ-OD2 3.54Å; R454-D537 IonicContact NE-OD1 3.25Å; R454-D537 IonicContact NE-OD2 3.05Å; R454-D537 PolarHBondContact NE-OD2 3.46Å; R454-D537 IonicContact NH2-OD2 3.69Å; R454-D537 PolarHBondContact NH2-OD2 2.81Å; A533-D537 VanDerWaalsContact CA-OD1 3.25Å; A533-D537 WeakPolarHBondContact CA-OD1 3.41Å; A533-D537 WeakPolarHBondContact CA-OD2 3.44Å; A533-D537 HydrophobicContact CB-CB 4.08Å; A533-D537 WeakPolarHBondContact CB-OD2 3.43Å; P534-D537 WeakPolarHBondContact CD-OD1 3.37Å; P534-D537 VanDerWaalsContact O-CB 3.31Å; P534-D537 WeakPolarHBondContact O-CB 3.23Å; P534-D537 PolarHBondContact O-N 3.25Å; D537-I539 PolarHBondContact O-N 3.46Å; D537-Q540 HydrophobicContact CB-CB 4.24Å; D537-Q540 HydrophobicContact CB-CG 4.04Å; D537-Q540 PolarHBondContact O-N 2.82Å; D537-N541 PolarHBondContact O-N 3.28Å
538P59.2Low66.9Low0 Ų064.3 Ų64.30%031%0.309CS..THydrogen-bonded Turntrans-61.9-30.9-178.424.7-34.5000112.3I180 Y451 Q540 F543I180-P538 HydrophobicContact CD1-CB 4.26Å; Y451-P538 HydrophobicContact CD1-CG 3.89Å; Y451-P538 HydrophobicContact CG-CG 4.45Å; P538-Q540 PolarHBondContact O-N 3.2Å; P538-F543 HydrophobicContact CB-CB 3.93Å; P538-F543 HydrophobicContact CB-CD2 3.72Å; P538-F543 HydrophobicContact CB-CG 3.99Å; P538-F543 VanDerWaalsContact O-CB 3.28Å; P538-F543 WeakPolarHBondContact O-CB 3.41Å; P538-F543 PolarHBondContact O-N 2.84Å; P538-F543 VanDerWaalsContact O-N 3.15Å
539I64.3Low68.1Low15 Ų1560.7 Ų60.78%0.07730%0.302CS..THydrogen-bonded Turntrans-61.4-30.4175.4-61-179.7000111.2R454 W458 D537 I544R454-I539 HydrophobicContact CG-CD1 3.91Å; W458-I539 HydrophobicContact CB-CD1 4.23Å; W458-I539 HydrophobicContact CD2-CD1 4.39Å; W458-I539 HydrophobicContact CG-CD1 4.1Å; D537-I539 PolarHBondContact O-N 3.46Å; I539-I544 VanDerWaalsContact O-CG1 3.32Å; I539-I544 WeakPolarHBondContact O-CG1 3.43Å
540Q64.2Low69.2Low71 Ų7162 Ų6233%0.33231%0.309SS..THydrogen-bonded Turntrans-100.2-40.6-174.3-59.5-179.62800112.7D537 P538 N542D537-Q540 HydrophobicContact CB-CB 4.24Å; D537-Q540 HydrophobicContact CB-CG 4.04Å; D537-Q540 PolarHBondContact O-N 2.82Å; P538-Q540 PolarHBondContact O-N 3.2Å; Q540-N542 PolarHBondContact O-N 3.03Å
541N62.7Low70.5Confident67 Ų6758.6 Ų58.636%0.35830%0.296SS..THydrogen-bonded Turntrans-98.546.7-168-74.77.5000114.2N536 D537N536-N541 WeakPolarHBondContact CA-ND2 3.18Å; N536-N541 PolarHBondContact OD1-ND2 3.45Å; N536-N541 VanDerWaalsContact OD1-ND2 3.1Å; D537-N541 PolarHBondContact O-N 3.28Å
542N67.9Low72Confident148 Ų14862.4 Ų62.479%0.79131%0.313SS*.THydrogen-bonded Turntrans90.43.8170.7-47.3-42.2000118.9Q540 I544Q540-N542 PolarHBondContact O-N 3.03Å; N542-I544 VanDerWaalsContact C-N 3.26Å; N542-I544 PolarHBondContact O-N 3.24Å
543F73.7Confident73.3Confident52 Ų5259.5 Ų59.523%0.22831%0.312CS..THydrogen-bonded Turntrans-87.711.4173.8-60.8-94.1000113.7I180 L181 P538 L545 L546 G547I180-F543 HydrophobicContact CG2-CD1 4.39Å; I180-F543 HydrophobicContact CG2-CD2 4.28Å; I180-F543 HydrophobicContact CG2-CE1 3.76Å; I180-F543 HydrophobicContact CG2-CE2 3.63Å; I180-F543 HydrophobicContact CG2-CZ 3.33Å; L181-F543 HydrophobicContact CD1-CZ 4.36Å; L181-F543 HydrophobicContact CD2-CZ 4.48Å; L181-F543 HydrophobicContact CG-CZ 4.25Å; P538-F543 HydrophobicContact CB-CB 3.93Å; P538-F543 HydrophobicContact CB-CD2 3.72Å; P538-F543 HydrophobicContact CB-CG 3.99Å; P538-F543 VanDerWaalsContact O-CB 3.28Å; P538-F543 WeakPolarHBondContact O-CB 3.41Å; P538-F543 PolarHBondContact O-N 2.84Å; P538-F543 VanDerWaalsContact O-N 3.15Å; F543-L545 VanDerWaalsContact C-N 3.28Å; F543-L545 PolarHBondContact O-N 3.48Å; F543-L546 HydrophobicContact CB-CB 4.32Å; F543-L546 HydrophobicContact CD1-CB 4.44Å; F543-L546 HydrophobicContact CD1-CD2 3.78Å; F543-L546 WeakPolarHBondContact O-CB 3.48Å; F543-L546 PolarHBondContact O-N 3.46Å; F543-L546 VanDerWaalsContact O-N 3.1Å; F543-G547 PolarHBondContact O-N 3.22Å
544I79.9Confident74.8Confident81 Ų8160.6 Ų60.642%0.41532%0.318SS..Hα-helixtrans-56.4-44176.4-62.4171.6000110.7F459 I539 N542 L546 G547 W548F459-I544 HydrophobicContact CE1-CG2 4.46Å; F459-I544 HydrophobicContact CZ-CG2 4.19Å; I539-I544 VanDerWaalsContact O-CG1 3.32Å; I539-I544 WeakPolarHBondContact O-CG1 3.43Å; N542-I544 VanDerWaalsContact C-N 3.26Å; N542-I544 PolarHBondContact O-N 3.24Å; I544-L546 VanDerWaalsContact C-N 3.34Å; I544-L546 PolarHBondContact O-N 2.69Å; I544-G547 PolarHBondContact O-N 3.02Å; I544-W548 PolarHBondContact O-N 2.92Å
545L83.3Confident76.1Confident127 Ų12759.6 Ų59.667%0.66531%0.311SS*.Hα-helixtrans-62.9-40.7177.5-175.4142.1000111.6F543 W548 L549F543-L545 VanDerWaalsContact C-N 3.28Å; F543-L545 PolarHBondContact O-N 3.48Å; L545-W548 PolarHBondContact O-N 2.99Å; L545-L549 HydrophobicContact CD2-CD1 3.59Å; L545-L549 HydrophobicContact CD2-CG 4.17Å; L545-L549 WeakPolarHBondContact O-CG 3.47Å; L545-L549 PolarHBondContact O-N 3.23Å
546L85.2Confident77.7Confident54 Ų5456.6 Ų56.628%0.28330%0.295SS..Hα-helixtrans-63.1-42.9175.1-179.264.7000111.4W452 L455 F543 I544 W548 L549 I550W452-L546 HydrophobicContact CH2-CD2 4.13Å; W452-L546 HydrophobicContact CZ3-CD2 4.12Å; L455-L546 HydrophobicContact CD2-CD2 4.15Å; L455-L546 HydrophobicContact CD2-CG 4.16Å; F543-L546 HydrophobicContact CB-CB 4.32Å; F543-L546 HydrophobicContact CD1-CB 4.44Å; F543-L546 HydrophobicContact CD1-CD2 3.78Å; F543-L546 WeakPolarHBondContact O-CB 3.48Å; F543-L546 PolarHBondContact O-N 3.46Å; F543-L546 VanDerWaalsContact O-N 3.1Å; I544-L546 VanDerWaalsContact C-N 3.34Å; I544-L546 PolarHBondContact O-N 2.69Å; L546-W548 PolarHBondContact O-N 3.41Å; L546-L549 PolarHBondContact O-N 2.93Å; L546-I550 HydrophobicContact CD1-CD1 4.37Å; L546-I550 HydrophobicContact CG-CD1 4.03Å; L546-I550 VanDerWaalsContact O-CG1 3.31Å; L546-I550 WeakPolarHBondContact O-CG1 3.09Å; L546-I550 PolarHBondContact O-N 3.01Å
547G83.5Confident79.2Confident0 Ų055.6 Ų55.60%029%0.29CS..Hα-helixtrans-59.4-45.1175.900000112.8F543 I544 I550 A551F543-G547 PolarHBondContact O-N 3.22Å; I544-G547 PolarHBondContact O-N 3.02Å; G547-I550 PolarHBondContact O-N 3.43Å; G547-A551 WeakPolarHBondContact O-CB 3.33Å; G547-A551 PolarHBondContact O-N 3.34Å
548W86.3Confident80.5Confident64 Ų6455.6 Ų55.624%0.24229%0.29CS..Hα-helixtrans-64.5-39.7174.1-73.6116.6000112.6F459 L463 I515 T518 I544 L545 L546 I550 A551 F552F459-W548 AromaticContact CD1-CD2 3.92Å; F459-W548 HydrophobicContact CD1-CD2 3.92Å; F459-W548 AromaticContact CD1-CE2 3.97Å; F459-W548 HydrophobicContact CD1-CE3 4.2Å; F459-W548 HydrophobicContact CD1-CG 4.31Å; F459-W548 HydrophobicContact CD1-CZ2 4.33Å; F459-W548 AromaticContact CE1-CD1 3.97Å; F459-W548 HydrophobicContact CE1-CD2 4Å; F459-W548 AromaticContact CE1-CE2 3.67Å; F459-W548 HydrophobicContact CE1-CG 4.19Å; F459-W548 HydrophobicContact CE1-CZ2 4.13Å; F459-W548 AromaticContact CE1-NE1 3.63Å; L463-W548 HydrophobicContact CD1-CE3 4.33Å; L463-W548 HydrophobicContact CD1-CZ3 4.39Å; L463-W548 HydrophobicContact CD2-CZ3 3.87Å; L463-W548 HydrophobicContact CG-CZ3 4.15Å; I515-W548 HydrophobicContact CG2-CH2 4.34Å; T518-W548 HydrophobicContact CG2-CH2 3.65Å; T518-W548 HydrophobicContact CG2-CZ2 3.74Å; I544-W548 PolarHBondContact O-N 2.92Å; L545-W548 PolarHBondContact O-N 2.99Å; L546-W548 PolarHBondContact O-N 3.41Å; W548-I550 VanDerWaalsContact C-N 3.35Å; W548-I550 PolarHBondContact O-N 2.84Å; W548-A551 PolarHBondContact O-N 3.06Å; W548-F552 HydrophobicContact CB-CD2 4.27Å; W548-F552 HydrophobicContact CD2-CE2 4.33Å; W548-F552 HydrophobicContact CE3-CD2 4.1Å; W548-F552 AromaticContact CE3-CE2 3.57Å; W548-F552 HydrophobicContact CE3-CE2 3.57Å; W548-F552 HydrophobicContact CE3-CZ 4.46Å; W548-F552 HydrophobicContact CZ3-CE2 4.16Å; W548-F552 WeakPolarHBondContact O-CB 3.36Å; W548-F552 VanDerWaalsContact O-CD2 3.28Å; W548-F552 WeakPolarHBondContact O-CD2 3.45Å; W548-F552 PolarHBondContact O-N 3.38Å
549L86.7Confident82Confident106 Ų10658.3 Ų58.356%0.55530%0.304SS*.Hα-helixtrans-62-41.7175.6-74.6176.5000112.2L545 L546 A551 G553L545-L549 HydrophobicContact CD2-CD1 3.59Å; L545-L549 HydrophobicContact CD2-CG 4.17Å; L545-L549 WeakPolarHBondContact O-CG 3.47Å; L545-L549 PolarHBondContact O-N 3.23Å; L546-L549 PolarHBondContact O-N 2.93Å; L549-A551 VanDerWaalsContact C-N 3.3Å; L549-A551 PolarHBondContact O-N 3.17Å; L549-G553 WeakPolarHBondContact O-CA 3.29Å; L549-G553 PolarHBondContact O-N 3.07Å
550I85.7Confident83.4Confident43 Ų4362.3 Ų62.322%0.22132%0.324CS..Hα-helixtrans-64-38.8176.5-67.6163.5000110.9W452 L455 I456 V460 L546 G547 W548 P554W452-I550 HydrophobicContact CE3-CD1 4.32Å; W452-I550 HydrophobicContact CZ3-CD1 3.92Å; L455-I550 HydrophobicContact CD2-CD1 3.62Å; L455-I550 HydrophobicContact CG-CD1 4.47Å; I456-I550 HydrophobicContact CG1-CG2 4.06Å; V460-I550 HydrophobicContact CG2-CG2 4.31Å; L546-I550 HydrophobicContact CD1-CD1 4.37Å; L546-I550 HydrophobicContact CG-CD1 4.03Å; L546-I550 VanDerWaalsContact O-CG1 3.31Å; L546-I550 WeakPolarHBondContact O-CG1 3.09Å; L546-I550 PolarHBondContact O-N 3.01Å; G547-I550 PolarHBondContact O-N 3.43Å; W548-I550 VanDerWaalsContact C-N 3.35Å; W548-I550 PolarHBondContact O-N 2.84Å; I550-P554 WeakPolarHBondContact O-CD 3.35Å
551A85Confident84.8Confident5 Ų561.8 Ų61.84%0.04132%0.323CS..Hα-helixtrans-76.2-41.5-179.100000112.4F459 V460 L463 G547 W548 L549F459-A551 HydrophobicContact CB-CB 3.92Å; V460-A551 HydrophobicContact CG2-CB 4.37Å; L463-A551 HydrophobicContact CB-CB 4.48Å; L463-A551 HydrophobicContact CD1-CB 3.32Å; L463-A551 HydrophobicContact CG-CB 3.98Å; G547-A551 WeakPolarHBondContact O-CB 3.33Å; G547-A551 PolarHBondContact O-N 3.34Å; W548-A551 PolarHBondContact O-N 3.06Å; L549-A551 VanDerWaalsContact C-N 3.3Å; L549-A551 PolarHBondContact O-N 3.17Å
552F88.1Confident86.1Confident81 Ų8158.6 Ų58.636%0.35531%0.306SS..Hα-helixtrans-77.3-27.6178.4-81.8-70.1000113.2L463 W548 I555 L556L463-F552 HydrophobicContact CD1-CB 4.44Å; L463-F552 HydrophobicContact CD1-CD1 3.84Å; L463-F552 HydrophobicContact CD1-CD2 3.83Å; L463-F552 HydrophobicContact CD1-CE1 3.97Å; L463-F552 HydrophobicContact CD1-CE2 3.96Å; L463-F552 HydrophobicContact CD1-CG 3.76Å; L463-F552 HydrophobicContact CD1-CZ 4.02Å; L463-F552 HydrophobicContact CD2-CE1 4.17Å; L463-F552 HydrophobicContact CD2-CE2 4.44Å; L463-F552 HydrophobicContact CD2-CZ 3.96Å; W548-F552 HydrophobicContact CB-CD2 4.27Å; W548-F552 HydrophobicContact CD2-CE2 4.33Å; W548-F552 HydrophobicContact CE3-CD2 4.1Å; W548-F552 AromaticContact CE3-CE2 3.57Å; W548-F552 HydrophobicContact CE3-CE2 3.57Å; W548-F552 HydrophobicContact CE3-CZ 4.46Å; W548-F552 HydrophobicContact CZ3-CE2 4.16Å; W548-F552 WeakPolarHBondContact O-CB 3.36Å; W548-F552 VanDerWaalsContact O-CD2 3.28Å; W548-F552 WeakPolarHBondContact O-CD2 3.45Å; W548-F552 PolarHBondContact O-N 3.38Å; F552-I555 WeakPolarHBondContact O-CB 3.48Å; F552-I555 PolarHBondContact O-N 3.41Å; F552-L556 HydrophobicContact CB-CD1 4.48Å; F552-L556 WeakPolarHBondContact O-CG 3.36Å; F552-L556 PolarHBondContact O-N 3.24Å
553G87.2Confident87.1Confident32 Ų3256 Ų5633%0.3329%0.288SS..Hα-helixtrans-50.9-54.2-177.900000114L549 I555 L556 L557L549-G553 WeakPolarHBondContact O-CA 3.29Å; L549-G553 PolarHBondContact O-N 3.07Å; G553-I555 PolarHBondContact O-N 2.84Å; G553-L556 PolarHBondContact O-N 2.9Å; G553-L557 VanDerWaalsContact O-CB 3.24Å; G553-L557 WeakPolarHBondContact O-CB 3.32Å; G553-L557 PolarHBondContact O-N 3.49Å
554P86.2Confident88Confident26 Ų2657.8 Ų57.817%0.16930%0.299CS..Hα-helixtrans-60.4-32.5176.4-21.328.9000113.5L100 I104 I550 G558L100-P554 HydrophobicContact CB-CB 4.34Å; L100-P554 VanDerWaalsContact CD1-O 3.27Å; L100-P554 WeakPolarHBondContact CD1-O 3.39Å; I104-P554 HydrophobicContact CD1-CB 4.03Å; I104-P554 HydrophobicContact CD1-CG 3.24Å; I104-P554 HydrophobicContact CG1-CG 4.48Å; I550-P554 WeakPolarHBondContact O-CD 3.35Å; P554-G558 PolarHBondContact O-N 3.1Å
555I88.7Confident88.4Confident10 Ų1055.5 Ų55.55%0.05129%0.287CS..Hα-helixtrans-72.5-49.7179.9-60.6-179.3000109.6I97 L463 I466 F552 G553 L557 G558 I559I97-I555 HydrophobicContact CD1-CG2 4.21Å; I97-I555 HydrophobicContact CG2-CG1 4.11Å; L463-I555 HydrophobicContact CB-CD1 3.77Å; L463-I555 HydrophobicContact CD1-CD1 4.14Å; I466-I555 HydrophobicContact CB-CD1 4.37Å; I466-I555 HydrophobicContact CD1-CD1 3.88Å; I466-I555 HydrophobicContact CD1-CG2 4.17Å; I466-I555 HydrophobicContact CG2-CG2 4.1Å; F552-I555 WeakPolarHBondContact O-CB 3.48Å; F552-I555 PolarHBondContact O-N 3.41Å; G553-I555 PolarHBondContact O-N 2.84Å; I555-L557 VanDerWaalsContact C-N 3.34Å; I555-L557 PolarHBondContact O-N 3.46Å; I555-G558 PolarHBondContact O-N 2.81Å; I555-I559 HydrophobicContact CG2-CD1 4.04Å; I555-I559 VanDerWaalsContact O-CG1 3.26Å; I555-I559 WeakPolarHBondContact O-CG1 3.18Å; I555-I559 PolarHBondContact O-N 3.41Å
556L89.8Confident88.6Confident101 Ų10149.5 Ų49.553%0.52926%0.256SS..Hα-helixtrans-60.3-45175.8-68.7174.5000111.1F552 G553 G558 I559 I560F552-L556 HydrophobicContact CB-CD1 4.48Å; F552-L556 WeakPolarHBondContact O-CG 3.36Å; F552-L556 PolarHBondContact O-N 3.24Å; G553-L556 PolarHBondContact O-N 2.9Å; L556-G558 VanDerWaalsContact C-N 3.33Å; L556-G558 PolarHBondContact O-N 3.43Å; L556-I559 PolarHBondContact O-N 2.83Å; L556-I560 VanDerWaalsContact O-CG1 3.31Å; L556-I560 WeakPolarHBondContact O-CG1 3.47Å; L556-I560 PolarHBondContact O-N 3.09Å
557L91.5Very high88.7Confident84 Ų8452.8 Ų52.844%0.4427%0.268SS..Hα-helixtrans-60.5-43.4175.3-175.765.1000111.3L100 G553 I555 I559 I560 I561L100-L557 HydrophobicContact CD1-CB 4.16Å; L100-L557 HydrophobicContact CD1-CD2 4.17Å; L100-L557 HydrophobicContact CD1-CG 4.07Å; L100-L557 HydrophobicContact CD2-CD2 4.25Å; G553-L557 VanDerWaalsContact O-CB 3.24Å; G553-L557 WeakPolarHBondContact O-CB 3.32Å; G553-L557 PolarHBondContact O-N 3.49Å; I555-L557 VanDerWaalsContact C-N 3.34Å; I555-L557 PolarHBondContact O-N 3.46Å; L557-I559 PolarHBondContact O-N 3.03Å; L557-I560 PolarHBondContact O-N 3.2Å; L557-I561 HydrophobicContact CD1-CD1 3.84Å; L557-I561 HydrophobicContact CD1-CG1 4.2Å; L557-I561 HydrophobicContact CD2-CD1 4.31Å; L557-I561 HydrophobicContact CG-CD1 3.68Å; L557-I561 HydrophobicContact CG-CG1 4.37Å; L557-I561 WeakPolarHBondContact O-CB 3.42Å; L557-I561 VanDerWaalsContact O-CG1 3.25Å; L557-I561 WeakPolarHBondContact O-CG1 3.3Å; L557-I561 PolarHBondContact O-N 3.35Å
558G91.1Very high88.9Confident0 Ų057.8 Ų57.80%029%0.293CS..Hα-helixtrans-65.5-36.6177.300000113.5L100 P554 I555 L556 G562L100-G558 VanDerWaalsContact CD1-CA 3.42Å; L100-G558 VanDerWaalsContact CD1-N 3.35Å; P554-G558 PolarHBondContact O-N 3.1Å; I555-G558 PolarHBondContact O-N 2.81Å; L556-G558 VanDerWaalsContact C-N 3.33Å; L556-G558 PolarHBondContact O-N 3.43Å; G558-G562 WeakPolarHBondContact O-CA 3.43Å; G558-G562 PolarHBondContact O-N 2.63Å
559I91.3Very high88.8Confident58 Ų5856.5 Ų56.530%0.29729%0.288SS..Hα-helixtrans-62.6-50.8172.7-67.8166.9000110.4I93 I97 I555 L556 L557 G562 F563I93-I559 HydrophobicContact CG2-CB 4.28Å; I93-I559 HydrophobicContact CG2-CG1 3.89Å; I97-I559 HydrophobicContact CD1-CG1 4.03Å; I555-I559 HydrophobicContact CG2-CD1 4.04Å; I555-I559 VanDerWaalsContact O-CG1 3.26Å; I555-I559 WeakPolarHBondContact O-CG1 3.18Å; I555-I559 PolarHBondContact O-N 3.41Å; L556-I559 PolarHBondContact O-N 2.83Å; L557-I559 PolarHBondContact O-N 3.03Å; I559-G562 PolarHBondContact O-N 3Å; I559-F563 HydrophobicContact CG2-CD2 3.65Å; I559-F563 HydrophobicContact CG2-CE2 3.62Å; I559-F563 VanDerWaalsContact O-CD2 3.23Å; I559-F563 WeakPolarHBondContact O-CD2 3.29Å; I559-F563 PolarHBondContact O-N 3.15Å
560I93.7Very high88.6Confident98 Ų9853.7 Ų53.750%0.50327%0.272SS..Hα-helixtrans-61.5-51.7-179.4-66.7165.3000110.6L556 L557 G562 F563 I564L556-I560 VanDerWaalsContact O-CG1 3.31Å; L556-I560 WeakPolarHBondContact O-CG1 3.47Å; L556-I560 PolarHBondContact O-N 3.09Å; L557-I560 PolarHBondContact O-N 3.2Å; I560-G562 VanDerWaalsContact C-N 3.34Å; I560-G562 PolarHBondContact O-N 3.27Å; I560-F563 PolarHBondContact O-N 3Å; I560-I564 HydrophobicContact CG2-CD1 3.7Å; I560-I564 VanDerWaalsContact O-CG1 3.27Å; I560-I564 WeakPolarHBondContact O-CG1 3.37Å; I560-I564 PolarHBondContact O-N 2.96Å
561I93Very high88.6Confident60 Ų6057.3 Ų57.331%0.30829%0.288SS..Hα-helixtrans-61-44.5179.3-67.6173000110.4V96 L557 F563 I564 M565V96-I561 HydrophobicContact CG1-CB 4.05Å; V96-I561 HydrophobicContact CG1-CG2 3.8Å; L557-I561 HydrophobicContact CD1-CD1 3.84Å; L557-I561 HydrophobicContact CD1-CG1 4.2Å; L557-I561 HydrophobicContact CD2-CD1 4.31Å; L557-I561 HydrophobicContact CG-CD1 3.68Å; L557-I561 HydrophobicContact CG-CG1 4.37Å; L557-I561 WeakPolarHBondContact O-CB 3.42Å; L557-I561 VanDerWaalsContact O-CG1 3.25Å; L557-I561 WeakPolarHBondContact O-CG1 3.3Å; L557-I561 PolarHBondContact O-N 3.35Å; I561-F563 PolarHBondContact O-N 2.81Å; I561-I564 PolarHBondContact O-N 3.09Å; I561-M565 HydrophobicContact CG2-CG 4.17Å; I561-M565 HydrophobicContact CG2-SD 3.67Å; I561-M565 WeakPolarHBondContact O-CB 3.29Å; I561-M565 VanDerWaalsContact O-CG 3.24Å; I561-M565 WeakPolarHBondContact O-CG 3.38Å; I561-M565 PolarHBondContact O-N 3.11Å
562G89.8Confident88.5Confident0 Ų061.8 Ų61.80%032%0.318CS..Hα-helixtrans-59.4-46.3178.400000112.6G558 I559 I560 M565 T566G558-G562 WeakPolarHBondContact O-CA 3.43Å; G558-G562 PolarHBondContact O-N 2.63Å; I559-G562 PolarHBondContact O-N 3Å; I560-G562 VanDerWaalsContact C-N 3.34Å; I560-G562 PolarHBondContact O-N 3.27Å; G562-M565 PolarHBondContact O-N 2.93Å; G562-T566 WeakPolarHBondContact O-CG2 3.47Å; G562-T566 PolarHBondContact O-N 2.7Å; G562-T566 PolarHBondContact O-OG1 3.4Å
563F90.5Very high87.9Confident94 Ų9461.3 Ų61.341%0.41232%0.317SS..Hα-helixtrans-62.1-46.1175.3-85.5-64.8000112.1I93 I559 I560 I561 M565 T566 F567I93-F563 HydrophobicContact CD1-CD1 4.06Å; I93-F563 HydrophobicContact CD1-CD2 3.83Å; I93-F563 HydrophobicContact CD1-CE1 3.84Å; I93-F563 HydrophobicContact CD1-CE2 3.59Å; I93-F563 HydrophobicContact CD1-CG 4.05Å; I93-F563 HydrophobicContact CD1-CZ 3.6Å; I559-F563 HydrophobicContact CG2-CD2 3.65Å; I559-F563 HydrophobicContact CG2-CE2 3.62Å; I559-F563 VanDerWaalsContact O-CD2 3.23Å; I559-F563 WeakPolarHBondContact O-CD2 3.29Å; I559-F563 PolarHBondContact O-N 3.15Å; I560-F563 PolarHBondContact O-N 3Å; I561-F563 PolarHBondContact O-N 2.81Å; F563-M565 VanDerWaalsContact C-N 3.34Å; F563-M565 PolarHBondContact O-N 3.22Å; F563-T566 PolarHBondContact O-N 3.17Å; F563-T566 PolarHBondContact O-OG1 3.35Å; F563-F567 WeakPolarHBondContact O-CB 3.37Å; F563-F567 PolarHBondContact O-N 3Å
564I91.4Very high86.9Confident89 Ų8966.7 Ų66.746%0.45633%0.334SS..Hα-helixtrans-59-45.6177.7-68.3168.2000110.8I560 I561 T566 F567 I568I560-I564 HydrophobicContact CG2-CD1 3.7Å; I560-I564 VanDerWaalsContact O-CG1 3.27Å; I560-I564 WeakPolarHBondContact O-CG1 3.37Å; I560-I564 PolarHBondContact O-N 2.96Å; I561-I564 PolarHBondContact O-N 3.09Å; I564-T566 PolarHBondContact O-N 3.44Å; I564-F567 PolarHBondContact O-N 3.08Å; I564-I568 HydrophobicContact CG2-CD1 3.65Å; I564-I568 HydrophobicContact CG2-CG1 4.3Å; I564-I568 VanDerWaalsContact O-CG1 3.32Å; I564-I568 WeakPolarHBondContact O-CG1 3.35Å; I564-I568 PolarHBondContact O-N 3.09Å
565M88.1Confident85.8Confident34 Ų3467.5 Ų67.517%0.16734%0.338CS..Hα-helixtrans-59.6-47177.8-72.9171.970.900111.9V96 H410 I561 G562 F563 F567 R569V96-M565 HydrophobicContact CG2-CE 4.39Å; V96-M565 HydrophobicContact CG2-SD 3.75Å; H410-M565 WeakPolarHBondContact CE1-CE 3.39Å; H410-M565 WeakPolarHBondContact NE2-CE 3.43Å; I561-M565 HydrophobicContact CG2-CG 4.17Å; I561-M565 HydrophobicContact CG2-SD 3.67Å; I561-M565 WeakPolarHBondContact O-CB 3.29Å; I561-M565 VanDerWaalsContact O-CG 3.24Å; I561-M565 WeakPolarHBondContact O-CG 3.38Å; I561-M565 PolarHBondContact O-N 3.11Å; G562-M565 PolarHBondContact O-N 2.93Å; F563-M565 VanDerWaalsContact C-N 3.34Å; F563-M565 PolarHBondContact O-N 3.22Å; M565-F567 VanDerWaalsContact C-N 3.3Å; M565-F567 PolarHBondContact O-N 3.31Å; M565-R569 PolarHBondContact O-N 3.23Å
566T87.4Confident84.6Confident1 Ų175.3 Ų75.31%0.00638%0.379CS..Hα-helixtrans-64.1-36178.158.70000112.5P89 G562 F563 I564 F570P89-T566 HydrophobicContact CB-CG2 3.93Å; P89-T566 WeakPolarHBondContact O-CG2 3.36Å; G562-T566 WeakPolarHBondContact O-CG2 3.47Å; G562-T566 PolarHBondContact O-N 2.7Å; G562-T566 PolarHBondContact O-OG1 3.4Å; F563-T566 PolarHBondContact O-N 3.17Å; F563-T566 PolarHBondContact O-OG1 3.35Å; I564-T566 PolarHBondContact O-N 3.44Å; T566-F570 WeakPolarHBondContact O-CB 3.46Å; T566-F570 PolarHBondContact O-N 3.26Å; T566-F570 VanDerWaalsContact O-N 3.08Å
567F87.6Confident83.7Confident122 Ų12273.9 Ų73.954%0.53539%0.389SS..Hα-helixtrans-69-47.8178.8-176-98.3000112.2F563 I564 M565 R569 F570 H571F563-F567 WeakPolarHBondContact O-CB 3.37Å; F563-F567 PolarHBondContact O-N 3Å; I564-F567 PolarHBondContact O-N 3.08Å; M565-F567 VanDerWaalsContact C-N 3.3Å; M565-F567 PolarHBondContact O-N 3.31Å; F567-R569 VanDerWaalsContact C-N 3.3Å; F567-R569 PolarHBondContact O-N 2.99Å; F567-F570 PolarHBondContact O-N 3.31Å; F567-H571 PolarHBondContact O-N 3.41Å
568I87.9Confident82.9Confident105 Ų10570.8 Ų70.854%0.53837%0.371SS..Hα-helixtrans-57.8-44.5178.7-69.8169.1000110.7I564 H571 S572I564-I568 HydrophobicContact CG2-CD1 3.65Å; I564-I568 HydrophobicContact CG2-CG1 4.3Å; I564-I568 VanDerWaalsContact O-CG1 3.32Å; I564-I568 WeakPolarHBondContact O-CG1 3.35Å; I564-I568 PolarHBondContact O-N 3.09Å; I568-H571 PolarHBondContact O-N 3.35Å; I568-S572 PolarHBondContact O-N 3.36Å
569R83.4Confident82.6Confident37 Ų3773.8 Ų73.814%0.1439%0.393CS..Hα-helixtrans-72.2-36.6-179.1-73.9-166.8178.3-1455113.6E85 H410 T413 M565 F567 H571 S572 H573 E588E85-R569 WeakPolarHBondContact OE1-CD 2.68Å; E85-R569 IonicContact OE1-CZ 2.68Å; E85-R569 IonicContact OE1-NE 3.53Å; E85-R569 PolarHBondContact OE1-NE 2.94Å; E85-R569 IonicContact OE1-NH1 2.81Å; E85-R569 PolarHBondContact OE1-NH1 2.78Å; E85-R569 VanDerWaalsContact OE2-CD 3.29Å; E85-R569 WeakPolarHBondContact OE2-CD 3.49Å; E85-R569 IonicContact OE2-CZ 3.22Å; E85-R569 IonicContact OE2-NE 3.95Å; E85-R569 PolarHBondContact OE2-NE 3.37Å; E85-R569 IonicContact OE2-NH1 3.63Å; E85-R569 PolarHBondContact OE2-NH1 2.89Å; E85-R569 IonicContact OE2-NH2 3.67Å; E85-R569 PolarHBondContact OE2-NH2 3.43Å; H410-R569 PolarHBondContact CD2-NH2 2.87Å; H410-R569 PolarHBondContact NE2-NE 3.09Å; H410-R569 VanDerWaalsContact NE2-NE 3.17Å; H410-R569 PolarHBondContact NE2-NH2 3.43Å; H410-R569 PolarHBondContact O-NH2 3.49Å; T413-R569 PolarHBondContact OG1-NH2 3.02Å; M565-R569 PolarHBondContact O-N 3.23Å; F567-R569 VanDerWaalsContact C-N 3.3Å; F567-R569 PolarHBondContact O-N 2.99Å; R569-H571 VanDerWaalsContact C-N 3.29Å; R569-H571 PolarHBondContact O-N 3.36Å; R569-S572 PolarHBondContact O-N 2.76Å; R569-H573 PolarHBondContact O-N 3.46Å; R569-H573 VanDerWaalsContact O-N 3.16Å; R569-E588 IonicContact NH1-OE1 2.79Å
570F83.7Confident82.2Confident48 Ų4874.5 Ų74.521%0.21139%0.392CS..Hα-helixtrans-58.9-43.6170.8175.3-104000111.4T566 F567 S572 H573 Q574 Y580 Y583T566-F570 WeakPolarHBondContact O-CB 3.46Å; T566-F570 PolarHBondContact O-N 3.26Å; T566-F570 VanDerWaalsContact O-N 3.08Å; F567-F570 PolarHBondContact O-N 3.31Å; F570-S572 VanDerWaalsContact C-N 3.34Å; F570-S572 PolarHBondContact O-N 3.11Å; F570-H573 PolarHBondContact O-N 2.99Å; F570-H573 VanDerWaalsContact O-N 3.15Å; F570-Q574 PolarHBondContact O-N 3.13Å; F570-Y580 HydrophobicContact CB-CD2 4.11Å; F570-Y580 HydrophobicContact CB-CE2 4.08Å; F570-Y580 AromaticContact CD1-CD2 3.53Å; F570-Y580 HydrophobicContact CD1-CD2 3.53Å; F570-Y580 HydrophobicContact CD1-CE2 4.16Å; F570-Y580 HydrophobicContact CD1-CG 4.48Å; F570-Y580 AromaticContact CD2-CD2 3.95Å; F570-Y580 HydrophobicContact CD2-CD2 3.95Å; F570-Y580 AromaticContact CE1-CD2 3.85Å; F570-Y580 HydrophobicContact CE1-CD2 3.85Å; F570-Y580 HydrophobicContact CE1-CG 4.4Å; F570-Y580 HydrophobicContact CE2-CD2 4.23Å; F570-Y580 AromaticContact CG-CD2 3.58Å; F570-Y580 HydrophobicContact CG-CD2 3.58Å; F570-Y580 HydrophobicContact CG-CE2 4.06Å; F570-Y580 HydrophobicContact CZ-CD2 4.18Å; F570-Y583 HydrophobicContact CB-CD1 3.96Å; F570-Y583 HydrophobicContact CB-CE1 3.96Å; F570-Y583 AromaticContact CD2-CD1 3.78Å; F570-Y583 HydrophobicContact CD2-CD1 3.78Å; F570-Y583 HydrophobicContact CD2-CD2 4.15Å; F570-Y583 HydrophobicContact CD2-CE1 4.42Å; F570-Y583 AromaticContact CD2-CG 3.62Å; F570-Y583 HydrophobicContact CD2-CG 3.62Å; F570-Y583 HydrophobicContact CE2-CG 4.31Å; F570-Y583 HydrophobicContact CG-CD1 4.29Å
571H84.8Confident81.8Confident119 Ų11975.9 Ų75.955%0.55140%0.395SS*.Hα-helixtrans-63.5-40.1177.4-168.861.3000112F567 I568 R569 H573 Q574F567-H571 PolarHBondContact O-N 3.41Å; I568-H571 PolarHBondContact O-N 3.35Å; R569-H571 VanDerWaalsContact C-N 3.29Å; R569-H571 PolarHBondContact O-N 3.36Å; H571-H573 PolarHBondContact O-N 3.38Å; H571-Q574 WeakPolarHBondContact O-CB 3.49Å; H571-Q574 PolarHBondContact O-N 3.46Å
572S82.7Confident81.4Confident98 Ų9876.2 Ų76.269%0.68540%0.397SS*.Hα-helixtrans-61.6-27.6174.7-174.70000113.5I568 R569 F570I568-S572 PolarHBondContact O-N 3.36Å; R569-S572 PolarHBondContact O-N 2.76Å; F570-S572 VanDerWaalsContact C-N 3.34Å; F570-S572 PolarHBondContact O-N 3.11Å
573H75.5Confident81.1Confident72 Ų7276.3 Ų76.333%0.33340%0.397SS..THydrogen-bonded Turntrans-98.614.3-176.5-88.4-65.4000114.1R569 F570 H571 T575 E588 L591R569-H573 PolarHBondContact O-N 3.46Å; R569-H573 VanDerWaalsContact O-N 3.16Å; F570-H573 PolarHBondContact O-N 2.99Å; F570-H573 VanDerWaalsContact O-N 3.15Å; H571-H573 PolarHBondContact O-N 3.38Å; H573-T575 PolarHBondContact O-N 2.92Å; H573-E588 IonicContact NE2-OE1 3.8Å; H573-L591 HydrophobicContact CB-CD2 3.96Å
574Q66.4Low80.9Confident144 Ų14472.7 Ų72.767%0.67338%0.382SS*.  trans-49.494.7-169.6-164.517512.300113.7F570 H571F570-Q574 PolarHBondContact O-N 3.13Å; H571-Q574 WeakPolarHBondContact O-CB 3.49Å; H571-Q574 PolarHBondContact O-N 3.46Å
575T63.5Low80.7Confident44 Ų4473 Ų7327%0.2738%0.38SS..  trans-100.8124.7167.957.20000108.5H573 G577 Y578 L591 M595H573-T575 PolarHBondContact O-N 2.92Å; T575-G577 PolarHBondContact O-N 2.8Å; T575-Y578 PolarHBondContact O-N 3.22Å; T575-L591 HydrophobicContact CG2-CD1 4.4Å; T575-L591 WeakPolarHBondContact OG1-CD1 3.5Å; T575-M595 HydrophobicContact CG2-CG 4.34Å; T575-M595 HydrophobicContact CG2-SD 3.8Å
576L62.9Low80.4Confident173 Ų17376.7 Ų76.791%0.90640%0.396SS*.THydrogen-bonded Turntrans-51.8123.1174.7-98.190.1000110.7
577G71.6Confident80.3Confident71 Ų7176.7 Ų76.773%0.73240%0.395SS*.THydrogen-bonded Turntrans101.6-7169.700000117T575T575-G577 PolarHBondContact O-N 2.8Å
578Y74.8Confident80Confident19 Ų1972.3 Ų72.38%0.07538%0.377CS..  trans-92110.9172.9-161.1-108.8000110.8T575 N582 Y583 L591 F594T575-Y578 PolarHBondContact O-N 3.22Å; Y578-N582 HydrophobicContact CE1-CB 4.1Å; Y578-N582 HydrophobicContact CE2-CB 3.95Å; Y578-N582 PolarHBondContact OH-O 3.35Å; Y578-Y583 HydrophobicContact CD1-CD2 4.49Å; Y578-Y583 VanDerWaalsContact CE1-CA 3.45Å; Y578-Y583 HydrophobicContact CE1-CD2 4.1Å; Y578-Y583 HydrophobicContact CE1-CG 4.41Å; Y578-Y583 VanDerWaalsContact CE1-N 3.35Å; Y578-L591 HydrophobicContact CD1-CD1 3.67Å; Y578-L591 HydrophobicContact CD2-CD1 4.31Å; Y578-L591 HydrophobicContact CE1-CB 4.27Å; Y578-L591 HydrophobicContact CE1-CD1 4.19Å; Y578-L591 HydrophobicContact CG-CD1 3.73Å; Y578-F594 HydrophobicContact CD2-CB 3.93Å; Y578-F594 AromaticContact CD2-CD1 3.8Å; Y578-F594 HydrophobicContact CD2-CD1 3.8Å; Y578-F594 HydrophobicContact CD2-CD2 4.13Å; Y578-F594 HydrophobicContact CD2-CE1 4.33Å; Y578-F594 AromaticContact CD2-CG 3.68Å; Y578-F594 HydrophobicContact CD2-CG 3.68Å; Y578-F594 HydrophobicContact CE2-CB 3.94Å; Y578-F594 HydrophobicContact CE2-CG 4.14Å; Y578-F594 HydrophobicContact CG-CD1 4.44Å
579S84Confident79.7Confident64 Ų6469.7 Ų69.745%0.44836%0.361SS..  trans-63.1140.4179.5174.90000111.8F581 N582 Y583S579-F581 PolarHBondContact O-N 3.18Å; S579-F581 PolarHBondContact OG-N 2.92Å; S579-N582 WeakPolarHBondContact O-CB 3.3Å; S579-N582 PolarHBondContact O-N 2.74Å; S579-Y583 PolarHBondContact O-N 3.15Å; S579-Y583 VanDerWaalsContact O-N 3.11Å
580Y83.7Confident79.5Confident72 Ų7268.4 Ų68.428%0.28236%0.358SS..Hα-helixtrans-52.9-39.3173.7-179.2-113.8000112.3F570 N582 Y583 L584F570-Y580 HydrophobicContact CB-CD2 4.11Å; F570-Y580 HydrophobicContact CB-CE2 4.08Å; F570-Y580 AromaticContact CD1-CD2 3.53Å; F570-Y580 HydrophobicContact CD1-CD2 3.53Å; F570-Y580 HydrophobicContact CD1-CE2 4.16Å; F570-Y580 HydrophobicContact CD1-CG 4.48Å; F570-Y580 AromaticContact CD2-CD2 3.95Å; F570-Y580 HydrophobicContact CD2-CD2 3.95Å; F570-Y580 AromaticContact CE1-CD2 3.85Å; F570-Y580 HydrophobicContact CE1-CD2 3.85Å; F570-Y580 HydrophobicContact CE1-CG 4.4Å; F570-Y580 HydrophobicContact CE2-CD2 4.23Å; F570-Y580 AromaticContact CG-CD2 3.58Å; F570-Y580 HydrophobicContact CG-CD2 3.58Å; F570-Y580 HydrophobicContact CG-CE2 4.06Å; F570-Y580 HydrophobicContact CZ-CD2 4.18Å; Y580-N582 VanDerWaalsContact C-N 3.33Å; Y580-N582 PolarHBondContact O-N 3.46Å; Y580-Y583 WeakPolarHBondContact O-CB 3.04Å; Y580-Y583 PolarHBondContact O-N 3.16Å; Y580-Y583 VanDerWaalsContact O-N 3.09Å; Y580-L584 HydrophobicContact CD1-CD1 3.89Å; Y580-L584 HydrophobicContact CD1-CG 4.35Å; Y580-L584 HydrophobicContact CE1-CD1 3.51Å; Y580-L584 HydrophobicContact CE1-CD2 4.3Å; Y580-L584 HydrophobicContact CE1-CG 4Å; Y580-L584 HydrophobicContact CE2-CD2 4.4Å; Y580-L584 HydrophobicContact CE2-CG 4.42Å; Y580-L584 PolarHBondContact O-N 3.25Å
581F85.3Confident79.3Confident128 Ų12866.3 Ų66.356%0.56135%0.35SS*.Hα-helixtrans-61-41.2177-172.6-94.2000112.1S579 Y583 L584 F585S579-F581 PolarHBondContact O-N 3.18Å; S579-F581 PolarHBondContact OG-N 2.92Å; F581-Y583 VanDerWaalsContact C-N 3.3Å; F581-Y583 PolarHBondContact O-N 2.85Å; F581-L584 PolarHBondContact O-N 3.48Å; F581-F585 HydrophobicContact CD1-CD2 4.27Å; F581-F585 HydrophobicContact CD2-CE2 4.16Å; F581-F585 AromaticContact CE1-CD2 3.92Å; F581-F585 HydrophobicContact CE1-CD2 3.92Å; F581-F585 AromaticContact CE1-CE2 3.96Å; F581-F585 HydrophobicContact CE1-CE2 3.96Å; F581-F585 HydrophobicContact CE2-CD2 4.21Å; F581-F585 AromaticContact CE2-CE2 3.55Å; F581-F585 HydrophobicContact CE2-CE2 3.55Å; F581-F585 AromaticContact CZ-CD2 3.89Å; F581-F585 HydrophobicContact CZ-CD2 3.89Å; F581-F585 AromaticContact CZ-CE2 3.43Å; F581-F585 HydrophobicContact CZ-CE2 3.43Å; F581-F585 VanDerWaalsContact CZ-CE2 3.43Å; F581-F585 HydrophobicContact CZ-CZ 4.36Å; F581-F585 WeakPolarHBondContact O-CD2 3.39Å; F581-F585 PolarHBondContact O-N 3.17Å
582N83.9Confident79.2Confident67 Ų6764.6 Ų64.636%0.35834%0.342SS..Hα-helixtrans-69.1-30.8176.3-75.4-25.3000112.1Y578 S579 Y580 K586Y578-N582 HydrophobicContact CE1-CB 4.1Å; Y578-N582 HydrophobicContact CE2-CB 3.95Å; Y578-N582 PolarHBondContact OH-O 3.35Å; S579-N582 WeakPolarHBondContact O-CB 3.3Å; S579-N582 PolarHBondContact O-N 2.74Å; Y580-N582 VanDerWaalsContact C-N 3.33Å; Y580-N582 PolarHBondContact O-N 3.46Å; N582-K586 WeakPolarHBondContact O-CB 3.45Å; N582-K586 PolarHBondContact O-N 3.27Å; N582-K586 VanDerWaalsContact O-N 3.09Å
583Y83.4Confident79.2Confident1 Ų164.7 Ų64.70%0.00433%0.33CS..Hα-helixtrans-65.8-46173.5-174.1-100.9000111.9P89 F570 Y578 S579 Y580 F581 F585 K586 G587 L591P89-Y583 HydrophobicContact CB-CE1 4.33Å; P89-Y583 WeakPolarHBondContact CD-O 3Å; P89-Y583 HydrophobicContact CG-CD1 4.16Å; P89-Y583 HydrophobicContact CG-CE1 3.89Å; P89-Y583 WeakPolarHBondContact CG-O 3.15Å; F570-Y583 HydrophobicContact CB-CD1 3.96Å; F570-Y583 HydrophobicContact CB-CE1 3.96Å; F570-Y583 AromaticContact CD2-CD1 3.78Å; F570-Y583 HydrophobicContact CD2-CD1 3.78Å; F570-Y583 HydrophobicContact CD2-CD2 4.15Å; F570-Y583 HydrophobicContact CD2-CE1 4.42Å; F570-Y583 AromaticContact CD2-CG 3.62Å; F570-Y583 HydrophobicContact CD2-CG 3.62Å; F570-Y583 HydrophobicContact CE2-CG 4.31Å; F570-Y583 HydrophobicContact CG-CD1 4.29Å; Y578-Y583 HydrophobicContact CD1-CD2 4.49Å; Y578-Y583 VanDerWaalsContact CE1-CA 3.45Å; Y578-Y583 HydrophobicContact CE1-CD2 4.1Å; Y578-Y583 HydrophobicContact CE1-CG 4.41Å; Y578-Y583 VanDerWaalsContact CE1-N 3.35Å; S579-Y583 PolarHBondContact O-N 3.15Å; S579-Y583 VanDerWaalsContact O-N 3.11Å; Y580-Y583 WeakPolarHBondContact O-CB 3.04Å; Y580-Y583 PolarHBondContact O-N 3.16Å; Y580-Y583 VanDerWaalsContact O-N 3.09Å; F581-Y583 VanDerWaalsContact C-N 3.3Å; F581-Y583 PolarHBondContact O-N 2.85Å; Y583-F585 VanDerWaalsContact C-N 3.26Å; Y583-F585 PolarHBondContact O-N 3.48Å; Y583-K586 PolarHBondContact O-N 3.48Å; Y583-G587 VanDerWaalsContact O-CA 3.29Å; Y583-G587 WeakPolarHBondContact O-CA 3.34Å; Y583-G587 PolarHBondContact O-N 3.04Å; Y583-L591 HydrophobicContact CE2-CD2 4.43Å
584L85.9Confident79.5Confident18 Ų1864.6 Ų64.69%0.09433%0.329CS..Hα-helixtrans-55.9-37.9179.7-73.5172.5000113.9P89 I90 Y580 F581P89-L584 VanDerWaalsContact CD-O 3.29Å; P89-L584 WeakPolarHBondContact CD-O 3.17Å; I90-L584 PolarHBondContact N-O 3.45Å; Y580-L584 HydrophobicContact CD1-CD1 3.89Å; Y580-L584 HydrophobicContact CD1-CG 4.35Å; Y580-L584 HydrophobicContact CE1-CD1 3.51Å; Y580-L584 HydrophobicContact CE1-CD2 4.3Å; Y580-L584 HydrophobicContact CE1-CG 4Å; Y580-L584 HydrophobicContact CE2-CD2 4.4Å; Y580-L584 HydrophobicContact CE2-CG 4.42Å; Y580-L584 PolarHBondContact O-N 3.25Å; F581-L584 PolarHBondContact O-N 3.48Å
585F87.1Confident80.1Confident95 Ų9561.3 Ų61.342%0.41731%0.314SS..Hα-helixtrans-95.9-20.5-176.1-74.4-76.5000115.3I90 F581 Y583I90-F585 HydrophobicContact CD1-CZ 4.26Å; I90-F585 HydrophobicContact CG2-CD1 4.42Å; I90-F585 HydrophobicContact CG2-CE1 4.37Å; F581-F585 HydrophobicContact CD1-CD2 4.27Å; F581-F585 HydrophobicContact CD2-CE2 4.16Å; F581-F585 AromaticContact CE1-CD2 3.92Å; F581-F585 HydrophobicContact CE1-CD2 3.92Å; F581-F585 AromaticContact CE1-CE2 3.96Å; F581-F585 HydrophobicContact CE1-CE2 3.96Å; F581-F585 HydrophobicContact CE2-CD2 4.21Å; F581-F585 AromaticContact CE2-CE2 3.55Å; F581-F585 HydrophobicContact CE2-CE2 3.55Å; F581-F585 AromaticContact CZ-CD2 3.89Å; F581-F585 HydrophobicContact CZ-CD2 3.89Å; F581-F585 AromaticContact CZ-CE2 3.43Å; F581-F585 HydrophobicContact CZ-CE2 3.43Å; F581-F585 VanDerWaalsContact CZ-CE2 3.43Å; F581-F585 HydrophobicContact CZ-CZ 4.36Å; F581-F585 WeakPolarHBondContact O-CD2 3.39Å; F581-F585 PolarHBondContact O-N 3.17Å; Y583-F585 VanDerWaalsContact C-N 3.26Å; Y583-F585 PolarHBondContact O-N 3.48Å
586K83.5Confident81.1Confident113 Ų11365.3 Ų65.349%0.49133%0.33SS..Hα-helixtrans-119.7-8.2-177.4-58.9179.2175.9170.70114.6Y87 N582 Y583 G590Y87-K586 CarbonylContact O-C 3.19Å; Y87-K586 WeakPolarHBondContact O-CA 3.42Å; Y87-K586 VanDerWaalsContact O-O 3.11Å; N582-K586 WeakPolarHBondContact O-CB 3.45Å; N582-K586 PolarHBondContact O-N 3.27Å; N582-K586 VanDerWaalsContact O-N 3.09Å; Y583-K586 PolarHBondContact O-N 3.48Å; K586-G590 WeakPolarHBondContact O-CA 3.47Å; K586-G590 PolarHBondContact O-N 3.11Å
587G84.6Confident82.1Confident0 Ų064.2 Ų64.20%032%0.318CS..Hα-helixtrans56.8-161177.700000115.3Y87 Y583 Y589 G590 L591Y87-G587 PolarHBondContact O-N 3.23Å; Y583-G587 VanDerWaalsContact O-CA 3.29Å; Y583-G587 WeakPolarHBondContact O-CA 3.34Å; Y583-G587 PolarHBondContact O-N 3.04Å; G587-Y589 PolarHBondContact O-N 3.36Å; G587-G590 PolarHBondContact O-N 3.1Å; G587-L591 PolarHBondContact O-N 2.97Å; G587-L591 VanDerWaalsContact O-N 3.09Å
588E82.1Confident82.5Confident31 Ų3163.7 Ų63.715%0.14530%0.3CS..Hα-helixtrans-58.7-35.1174.5-63.7-174.8162.800112.3R86 R569 H573 G590 L591 Q592R86-E588 HydrophobicContact CG-CB 4.46Å; R86-E588 PolarHBondContact O-N 3.31Å; R86-E588 VanDerWaalsContact O-N 3.1Å; R569-E588 IonicContact NH1-OE1 2.79Å; H573-E588 IonicContact NE2-OE1 3.8Å; E588-G590 VanDerWaalsContact C-N 3.35Å; E588-G590 PolarHBondContact O-N 3.14Å; E588-L591 WeakPolarHBondContact O-CB 3.47Å; E588-L591 PolarHBondContact O-N 2.81Å; E588-Q592 WeakPolarHBondContact O-CB 3.36Å; E588-Q592 WeakPolarHBondContact O-CG 3.24Å; E588-Q592 PolarHBondContact O-N 3.02Å
589Y80.3Confident82.8Confident50 Ų5065.4 Ų65.420%0.19632%0.319CS..Hα-helixtrans-62.5-42.1178-179.7-105.7000112.1R86 Y87 G587 K593R86-Y589 WeakPolarHBondContact O-CB 3.46Å; R86-Y589 PolarHBondContact O-N 3.09Å; Y87-Y589 HydrophobicContact CD1-CD1 4.45Å; Y87-Y589 HydrophobicContact CD1-CG 4.34Å; Y87-Y589 HydrophobicContact CE1-CD1 4.49Å; Y87-Y589 HydrophobicContact CE1-CD2 4.4Å; Y87-Y589 HydrophobicContact CE1-CG 4.22Å; G587-Y589 PolarHBondContact O-N 3.36Å; Y589-K593 HydrophobicContact CE1-CD 4Å; Y589-K593 VanDerWaalsContact CZ-NZ 3.32Å; Y589-K593 PolarHBondContact O-N 3.42Å; Y589-K593 VanDerWaalsContact O-N 3.13Å; Y589-K593 WeakPolarHBondContact OH-CE 3.34Å; Y589-K593 PolarHBondContact OH-NZ 3.43Å
590G79Confident82.5Confident9 Ų968.4 Ų68.49%0.09333%0.325CS..Hα-helixtrans-63.8-42.5172.600000112.4K586 G587 E588 K593 F594K586-G590 WeakPolarHBondContact O-CA 3.47Å; K586-G590 PolarHBondContact O-N 3.11Å; G587-G590 PolarHBondContact O-N 3.1Å; E588-G590 VanDerWaalsContact C-N 3.35Å; E588-G590 PolarHBondContact O-N 3.14Å; G590-K593 PolarHBondContact O-N 3.13Å; G590-F594 WeakPolarHBondContact O-CB 3.43Å; G590-F594 PolarHBondContact O-N 3.23Å
591L80.6Confident82.3Confident5 Ų570.4 Ų70.43%0.02634%0.34CS..Hα-helixtrans-62.3-45.2176.5-17764.6000111.7H573 T575 Y578 Y583 G587 E588 K593 F594 M595H573-L591 HydrophobicContact CB-CD2 3.96Å; T575-L591 HydrophobicContact CG2-CD1 4.4Å; T575-L591 WeakPolarHBondContact OG1-CD1 3.5Å; Y578-L591 HydrophobicContact CD1-CD1 3.67Å; Y578-L591 HydrophobicContact CD2-CD1 4.31Å; Y578-L591 HydrophobicContact CE1-CB 4.27Å; Y578-L591 HydrophobicContact CE1-CD1 4.19Å; Y578-L591 HydrophobicContact CG-CD1 3.73Å; Y583-L591 HydrophobicContact CE2-CD2 4.43Å; G587-L591 PolarHBondContact O-N 2.97Å; G587-L591 VanDerWaalsContact O-N 3.09Å; E588-L591 WeakPolarHBondContact O-CB 3.47Å; E588-L591 PolarHBondContact O-N 2.81Å; L591-K593 PolarHBondContact O-N 3.48Å; L591-F594 WeakPolarHBondContact O-CB 3.31Å; L591-F594 PolarHBondContact O-N 3.41Å; L591-M595 HydrophobicContact CD2-CE 4.36Å; L591-M595 HydrophobicContact CG-CE 3.95Å; L591-M595 WeakPolarHBondContact O-CG 3.4Å; L591-M595 PolarHBondContact O-N 3.18Å
592Q83Confident81.9Confident83 Ų8367.3 Ų67.339%0.38833%0.334SS..Hα-helixtrans-60.7-43.4176.4-75.31790.600111.9E588 F594 M595 Q596E588-Q592 WeakPolarHBondContact O-CB 3.36Å; E588-Q592 WeakPolarHBondContact O-CG 3.24Å; E588-Q592 PolarHBondContact O-N 3.02Å; Q592-F594 VanDerWaalsContact C-N 3.34Å; Q592-M595 HydrophobicContact CG-CE 4.48Å; Q592-M595 PolarHBondContact O-N 3.42Å; Q592-Q596 WeakPolarHBondContact O-CB 3.49Å; Q592-Q596 WeakPolarHBondContact O-CG 3.4Å; Q592-Q596 PolarHBondContact O-N 3.41Å
593K81.9Confident81.3Confident100 Ų10069.9 Ų69.944%0.43534%0.344SS..Hα-helixtrans-63.7-39.6174.1-80.5-176.3175.2172.80112.6Y589 G590 L591 Q596 K597Y589-K593 HydrophobicContact CE1-CD 4Å; Y589-K593 VanDerWaalsContact CZ-NZ 3.32Å; Y589-K593 PolarHBondContact O-N 3.42Å; Y589-K593 VanDerWaalsContact O-N 3.13Å; Y589-K593 WeakPolarHBondContact OH-CE 3.34Å; Y589-K593 PolarHBondContact OH-NZ 3.43Å; G590-K593 PolarHBondContact O-N 3.13Å; L591-K593 PolarHBondContact O-N 3.48Å; K593-Q596 PolarHBondContact O-N 2.98Å; K593-K597 WeakPolarHBondContact O-CB 3.46Å; K593-K597 PolarHBondContact O-N 2.91Å
594F81.7Confident80.6Confident70 Ų7075.6 Ų75.631%0.30737%0.372SS..Hα-helixtrans-63.3-47.8176.2179.4-100.6000110.9Y578 G590 L591 Q592 Q596 K597 T598Y578-F594 HydrophobicContact CD2-CB 3.93Å; Y578-F594 AromaticContact CD2-CD1 3.8Å; Y578-F594 HydrophobicContact CD2-CD1 3.8Å; Y578-F594 HydrophobicContact CD2-CD2 4.13Å; Y578-F594 HydrophobicContact CD2-CE1 4.33Å; Y578-F594 AromaticContact CD2-CG 3.68Å; Y578-F594 HydrophobicContact CD2-CG 3.68Å; Y578-F594 HydrophobicContact CE2-CB 3.94Å; Y578-F594 HydrophobicContact CE2-CG 4.14Å; Y578-F594 HydrophobicContact CG-CD1 4.44Å; G590-F594 WeakPolarHBondContact O-CB 3.43Å; G590-F594 PolarHBondContact O-N 3.23Å; L591-F594 WeakPolarHBondContact O-CB 3.31Å; L591-F594 PolarHBondContact O-N 3.41Å; Q592-F594 VanDerWaalsContact C-N 3.34Å; F594-Q596 VanDerWaalsContact C-N 3.35Å; F594-Q596 PolarHBondContact O-N 2.91Å; F594-K597 PolarHBondContact O-N 3.08Å; F594-K597 VanDerWaalsContact O-N 3.13Å; F594-T598 HydrophobicContact CD1-CG2 4.17Å; F594-T598 HydrophobicContact CD2-CG2 4.39Å; F594-T598 HydrophobicContact CE1-CG2 3.74Å; F594-T598 HydrophobicContact CE2-CG2 3.98Å; F594-T598 HydrophobicContact CG-CG2 4.48Å; F594-T598 HydrophobicContact CZ-CG2 3.64Å; F594-T598 WeakPolarHBondContact O-CG2 3.5Å; F594-T598 PolarHBondContact O-N 3.25Å; F594-T598 PolarHBondContact O-OG1 3.17Å; F594-T598 VanDerWaalsContact O-OG1 3.11Å
595M80.2Confident79.9Confident75 Ų7583 Ų8337%0.36940%0.404SS..Hα-helixtrans-59.6-41.7175.6-73.4-166.7-75.700112.6T575 L591 Q592 K597 T598 A599T575-M595 HydrophobicContact CG2-CG 4.34Å; T575-M595 HydrophobicContact CG2-SD 3.8Å; L591-M595 HydrophobicContact CD2-CE 4.36Å; L591-M595 HydrophobicContact CG-CE 3.95Å; L591-M595 WeakPolarHBondContact O-CG 3.4Å; L591-M595 PolarHBondContact O-N 3.18Å; Q592-M595 HydrophobicContact CG-CE 4.48Å; Q592-M595 PolarHBondContact O-N 3.42Å; M595-K597 VanDerWaalsContact C-N 3.34Å; M595-K597 PolarHBondContact O-N 2.9Å; M595-T598 WeakPolarHBondContact CA-OG1 3.47Å; M595-T598 PolarHBondContact O-OG1 3.49Å; M595-T598 VanDerWaalsContact O-OG1 3.08Å; M595-A599 WeakPolarHBondContact O-CB 3.34Å; M595-A599 PolarHBondContact O-N 2.86Å
596Q83.1Confident78.9Confident127 Ų12788.8 Ų88.859%0.59342%0.423SS*.Hα-helixtrans-62.4-41.8174.4-76.1176.4-8.300111.8Q592 K593 F594 Q600Q592-Q596 WeakPolarHBondContact O-CB 3.49Å; Q592-Q596 WeakPolarHBondContact O-CG 3.4Å; Q592-Q596 PolarHBondContact O-N 3.41Å; K593-Q596 PolarHBondContact O-N 2.98Å; F594-Q596 VanDerWaalsContact C-N 3.35Å; F594-Q596 PolarHBondContact O-N 2.91Å; Q596-Q600 WeakPolarHBondContact O-CB 3.4Å; Q596-Q600 VanDerWaalsContact O-CG 3.31Å; Q596-Q600 WeakPolarHBondContact O-CG 3.49Å; Q596-Q600 PolarHBondContact O-N 3.11Å
597K83.5Confident78.1Confident151 Ų15188.7 Ų88.766%0.65743%0.428SS*.Hα-helixtrans-69.5-40.4179.3-169176.4-178.6-178.80112.3K593 F594 M595 Q600 L601K593-K597 WeakPolarHBondContact O-CB 3.46Å; K593-K597 PolarHBondContact O-N 2.91Å; F594-K597 PolarHBondContact O-N 3.08Å; F594-K597 VanDerWaalsContact O-N 3.13Å; M595-K597 VanDerWaalsContact C-N 3.34Å; M595-K597 PolarHBondContact O-N 2.9Å; K597-Q600 PolarHBondContact O-N 2.84Å; K597-L601 WeakPolarHBondContact O-CB 3.44Å; K597-L601 PolarHBondContact O-N 3.19Å
598T81.8Confident76.5Confident59 Ų5994.9 Ų94.936%0.36246%0.46SS..Hα-helixtrans-70.6-36.3176.453.40000111.9F594 M595 L601 S602F594-T598 HydrophobicContact CD1-CG2 4.17Å; F594-T598 HydrophobicContact CD2-CG2 4.39Å; F594-T598 HydrophobicContact CE1-CG2 3.74Å; F594-T598 HydrophobicContact CE2-CG2 3.98Å; F594-T598 HydrophobicContact CG-CG2 4.48Å; F594-T598 HydrophobicContact CZ-CG2 3.64Å; F594-T598 WeakPolarHBondContact O-CG2 3.5Å; F594-T598 PolarHBondContact O-N 3.25Å; F594-T598 PolarHBondContact O-OG1 3.17Å; F594-T598 VanDerWaalsContact O-OG1 3.11Å; M595-T598 WeakPolarHBondContact CA-OG1 3.47Å; M595-T598 PolarHBondContact O-OG1 3.49Å; M595-T598 VanDerWaalsContact O-OG1 3.08Å; T598-L601 PolarHBondContact O-N 3.05Å; T598-S602 WeakPolarHBondContact O-CB 3.2Å; T598-S602 PolarHBondContact O-N 2.91Å; T598-S602 PolarHBondContact O-OG 2.98Å
599A79.4Confident74.8Confident56 Ų5698 Ų9846%0.46348%0.483SS..Hα-helixtrans-60.7-45.5170.100000111.6M595 S602 H603M595-A599 WeakPolarHBondContact O-CB 3.34Å; M595-A599 PolarHBondContact O-N 2.86Å; A599-S602 PolarHBondContact O-OG 3.32Å; A599-H603 WeakPolarHBondContact O-CB 3.47Å; A599-H603 PolarHBondContact O-N 3.38Å
600Q79.4Confident73.1Confident126 Ų126104.7 Ų104.759%0.58951%0.513SS*.Hα-helixtrans-62.4-43.8174.7-75.2176.9-19.700112.5Q596 K597 H603 M604Q596-Q600 WeakPolarHBondContact O-CB 3.4Å; Q596-Q600 VanDerWaalsContact O-CG 3.31Å; Q596-Q600 WeakPolarHBondContact O-CG 3.49Å; Q596-Q600 PolarHBondContact O-N 3.11Å; K597-Q600 PolarHBondContact O-N 2.84Å; Q600-H603 PolarHBondContact O-N 2.89Å; Q600-M604 WeakPolarHBondContact O-CG 3.37Å; Q600-M604 PolarHBondContact O-N 3.43Å
601L78.7Confident71.4Confident115 Ų115114 Ų11460%0.60255%0.547SS*.Hα-helixtrans-67.4-40.7-179.8-172.466.9000112.3K597 T598 H603 M604 K605K597-L601 WeakPolarHBondContact O-CB 3.44Å; K597-L601 PolarHBondContact O-N 3.19Å; T598-L601 PolarHBondContact O-N 3.05Å; L601-H603 VanDerWaalsContact C-N 3.31Å; L601-H603 PolarHBondContact O-N 3.02Å; L601-M604 PolarHBondContact O-N 3.2Å; L601-K605 PolarHBondContact O-N 2.86Å
602S75.8Confident69.5Low62 Ų62117.4 Ų117.443%0.43457%0.571SS.*Hα-helixtrans-64.7-36.1174.961.80000112T598 A599 K605 R606T598-S602 WeakPolarHBondContact O-CB 3.2Å; T598-S602 PolarHBondContact O-N 2.91Å; T598-S602 PolarHBondContact O-OG 2.98Å; A599-S602 PolarHBondContact O-OG 3.32Å; S602-K605 PolarHBondContact O-N 2.79Å; S602-R606 PolarHBondContact O-N 3.39Å
603H73Confident67.3Low121 Ų121121.2 Ų121.256%0.5659%0.594SS**Hα-helixtrans-66.3-38.1172.7-158-65.1000112.3A599 Q600 L601 N607A599-H603 WeakPolarHBondContact O-CB 3.47Å; A599-H603 PolarHBondContact O-N 3.38Å; Q600-H603 PolarHBondContact O-N 2.89Å; L601-H603 VanDerWaalsContact C-N 3.31Å; L601-H603 PolarHBondContact O-N 3.02Å; H603-N607 PolarHBondContact CE1-ND2 3.21Å; H603-N607 PolarHBondContact ND1-ND2 2.84Å; H603-N607 PolarHBondContact O-N 3.41Å
604M68.7Low65Low122 Ų122123.4 Ų123.460%0.60161%0.608SS**Hα-helixtrans-66-42.6172.7-70-177.7-157.800112.1Q600 L601 R606 N607 L608Q600-M604 WeakPolarHBondContact O-CG 3.37Å; Q600-M604 PolarHBondContact O-N 3.43Å; L601-M604 PolarHBondContact O-N 3.2Å; M604-R606 PolarHBondContact O-N 2.75Å; M604-N607 CarbonylContact O-C 3.57Å; M604-N607 PolarHBondContact O-N 3.47Å; M604-N607 VanDerWaalsContact O-N 3.14Å; M604-L608 PolarHBondContact O-N 3.02Å
605K70.7Confident62.7Low172 Ų172125.3 Ų125.375%0.74863%0.627SS**Hα-helixtrans-68.3-32.9-179.3-165.4174.2-177.7-179.70113L601 S602 N607L601-K605 PolarHBondContact O-N 2.86Å; S602-K605 PolarHBondContact O-N 2.79Å; K605-N607 VanDerWaalsContact C-N 3.29Å
606R65.4Low60.6Low218 Ų218131.3 Ų131.382%0.82365%0.651SS**Hα-helixtrans-67.8-28.8170.9-84-172.5-165.1158.25.4113.2S602 M604S602-R606 PolarHBondContact O-N 3.39Å; M604-R606 PolarHBondContact O-N 2.75Å
607N67Low58Low110 Ų110132.3 Ų132.359%0.58866%0.66SS**THydrogen-bonded Turntrans-92.93.5-178.8-69.4-3.7000113.5H603 M604 K605H603-N607 PolarHBondContact CE1-ND2 3.21Å; H603-N607 PolarHBondContact ND1-ND2 2.84Å; H603-N607 PolarHBondContact O-N 3.41Å; M604-N607 CarbonylContact O-C 3.57Å; M604-N607 PolarHBondContact O-N 3.47Å; M604-N607 VanDerWaalsContact O-N 3.14Å; K605-N607 VanDerWaalsContact C-N 3.29Å
608L51.6Low55.4Low131 Ų131132.1 Ų132.169%0.68667%0.666SS**SBendtrans-67.8124.6171.2-124.982.4000108.9M604 K610M604-L608 PolarHBondContact O-N 3.02Å; L608-K610 PolarHBondContact O-N 3.14Å
609P46.8Very low52.7Low95 Ų95133.6 Ų133.662%0.61768%0.678SS**  trans-60.7132.4178.522.8-31.1000110.4Y611P609-Y611 VanDerWaalsContact C-N 3.32Å; P609-Y611 HydrophobicContact CB-CD2 4.47Å; P609-Y611 HydrophobicContact CB-CE2 4.45Å; P609-Y611 HydrophobicContact CG-CD2 4.31Å; P609-Y611 HydrophobicContact CG-CE2 4.16Å; P609-Y611 PolarHBondContact O-N 3.49Å
610K44.7Very low50Low191 Ų191143.4 Ų143.483%0.8370%0.703SS**  trans-61.690.4169.3-99.1-178.5173.4179.10109.2L608 S612L608-K610 PolarHBondContact O-N 3.14Å; K610-S612 PolarHBondContact O-N 3.46Å; K610-S612 VanDerWaalsContact O-N 3.08Å
611Y43.2Very low47.4Very low206 Ų206142.6 Ų142.681%0.80871%0.708SS**  trans-80.565.3155.6-81.6-85.2000108.7P609P609-Y611 VanDerWaalsContact C-N 3.32Å; P609-Y611 HydrophobicContact CB-CD2 4.47Å; P609-Y611 HydrophobicContact CB-CE2 4.45Å; P609-Y611 HydrophobicContact CG-CD2 4.31Å; P609-Y611 HydrophobicContact CG-CE2 4.16Å; P609-Y611 PolarHBondContact O-N 3.49Å
612S39Very low44.8Very low76 Ų76148 Ų14853%0.53172%0.72SS.*  trans-11173.5166.762.30000107.2K610K610-S612 PolarHBondContact O-N 3.46Å; K610-S612 VanDerWaalsContact O-N 3.08Å
613N38.3Very low42.4Very low162 Ų162152.2 Ų152.287%0.86674%0.736SS**  trans178.855.7158.2-85.6-10.8000108.1
614M32.3Very low40.1Very low147 Ų147152.1 Ų152.172%0.72474%0.74SS**  trans-96.8114.8153.2-104.4-175.9153.200106K616M614-K616 PolarHBondContact O-N 3.35Å
615P34.2Very low38Very low110 Ų110153.3 Ų153.371%0.71475%0.749SS**  trans-60130.9176.923.5-30.1000108.7N617P615-N617 VanDerWaalsContact C-N 3.27Å; P615-N617 PolarHBondContact O-N 3.34Å
616K35.7Very low35.8Very low200 Ų200155.5 Ų155.587%0.8776%0.758SS**SBendtrans-59.695.2165.7-70.5176.6178.4178.70106.6M614M614-K616 PolarHBondContact O-N 3.35Å
617N27.9Very low33.9Very low148 Ų148151.8 Ų151.879%0.79176%0.755SS**  trans170.966.9156.8-81.9-12.1000108.1P615 S619P615-N617 VanDerWaalsContact C-N 3.27Å; P615-N617 PolarHBondContact O-N 3.34Å; N617-S619 PolarHBondContact O-N 2.86Å; N617-S619 VanDerWaalsContact O-N 3.12Å
618L29.1Very low31.8Very low148 Ų148152.8 Ų152.878%0.77577%0.765SS**  trans-77.778.4152.6-100.696.5000107.4
619S25.5Very low30.5Very low89 Ų89150.7 Ų150.762%0.62277%0.767SS**  trans-70.4127.4152.7550000107.5N617 T621N617-S619 PolarHBondContact O-N 2.86Å; N617-S619 VanDerWaalsContact O-N 3.12Å; S619-T621 PolarHBondContact O-N 3.35Å
620W22.5Very low29.4Very low262 Ų262151.9 Ų151.999%0.99278%0.778SS**  trans-64.497.2177.8-75.379.4000110.6
621T25.7Very low28.4Very low110 Ų110146.2 Ų146.268%0.67577%0.773SS**  trans-128.7104.2163.645.40000110.4S619 I623S619-T621 PolarHBondContact O-N 3.35Å; T621-I623 PolarHBondContact O-N 3.02Å
622R22.9Very low27.4Very low228 Ų228142 Ų14286%0.8677%0.774SS**  trans-53.4106.3164.2-178.4-170.5-63.5-179.6-1.3108.7
623I27.3Very low26.6Very low151 Ų151143.5 Ų143.577%0.77478%0.784SS**  trans-115.292.9164.7-58.6179.7000107.5T621T621-I623 PolarHBondContact O-N 3.02Å
624N23Very low25.9Very low119 Ų119144.6 Ų144.664%0.63678%0.781SS**  trans-58.7134.3153.1-66.4-15.6000108.1
625N25.8Very low25.7Very low147 Ų147147 Ų14779%0.78679%0.788SS**  trans156.186.1138.2-77.8-9.8000109.8N627N625-N627 PolarHBondContact O-N 2.97Å
626F24.1Very low25.1Very low217 Ų217149.2 Ų149.295%0.95279%0.792SS**  trans-83.395.6157.7-98.8-88.2000107.8
627N24.5Very low24.5Very low140 Ų140145.4 Ų145.475%0.74979%0.79SS**  trans-112.4111.3159.9-85.6-7.1000108.7N625N625-N627 PolarHBondContact O-N 2.97Å
628T22.9Very low24.3Very low131 Ų131142.7 Ų142.780%0.80478%0.783SS**  trans7.2117136.954.80000116.9
629A24.6Very low24Very low88 Ų88142.7 Ų142.773%0.72778%0.784SS**  173.1124.6127.100000110.9
630S23.6Very low24.1Very low120 Ų120147 Ų14784%0.83980%0.799SS**  trans35.6122.514262.70000120.4
631G23.5Very low24.2Very low71 Ų71139.8 Ų139.873%0.73279%0.789SS**  trans161.788.1152.400000117.9
632S23.2Very low24.1Very low119 Ų119142 Ų14283%0.83280%0.797SS**  trans71.1114.1147.168.70000121.3
633S22.2Very low24.4Very low106 Ų106136 Ų13674%0.74179%0.787SS**  trans-39.2140.1146.253.30000116.4
634K23.3Very low24.2Very low186 Ų186136.1 Ų136.181%0.80979%0.789SS**  trans164.8113.9140.8-91162.3-175.5-178.20104.8
635F27.6Very low24.4Very low198 Ų198138.4 Ų138.487%0.86880%0.801SS**  -158.6129.970.8-92.7-91000110.9
636I22.2Very low24.3Very low155 Ų155140.2 Ų140.280%0.79581%0.81SS**  trans-88132.4159.9-68.5166.4000107
637S23.9Very low24.3Very low120 Ų120133 Ų13384%0.83980%0.797SS**  trans-147.791.3142.657.90000110
638S22.3Very low24.3Very low91 Ų91135 Ų13564%0.63680%0.804SS**  trans-69.2133.4154.9490000109.3
639N23.4Very low24.3Very low148 Ų148136.8 Ų136.879%0.79181%0.809SS**  trans177.597.4144.6-90.2-15.2000110.8
640L27.5Very low24.2Very low179 Ų179142.7 Ų142.794%0.93781%0.812SS**  trans-169.582.6131-128.978.8000109.4
641S24.1Very low24.2Very low112 Ų112143 Ų14378%0.78381%0.809SS**  trans-89.7115162.751.10000108.5
642N24.5Very low24.1Very low156 Ų156145.7 Ų145.783%0.83481%0.805SS**  trans-127.1104.5160.9-140.75000107.4
643P28.1Very low24.2Very low103 Ų103150.8 Ų150.867%0.66981%0.808SS**  trans-95.5109.2-177.533.5-24.3000108.5
644N24Very low24.2Very low153 Ų153156.3 Ų156.382%0.81881%0.813SS**  trans-171.194.6158.9-92.2-22.6000108.5
645N27Very low24.3Very low166 Ų166152.5 Ų152.589%0.88881%0.809SS**  trans-176.791.1145.7-90.8-22.7000108.7G647N645-G647 PolarHBondContact O-N 3.12Å
646L24.8Very low24.3Very low186 Ų186149.9 Ų149.997%0.97481%0.809SS**  trans-63.9120.4149.4-83.9115.8000107.3
647G24.1Very low24.5Very low65 Ų65145 Ų14567%0.6780%0.797SS**  trans157.3112.3167.500000114.9N645N645-G647 PolarHBondContact O-N 3.12Å
648M24Very low24.6Very low182 Ų182147 Ų14790%0.89780%0.798SS**  trans79.395.8162.1-61.1-8817700115.8R650M648-R650 PolarHBondContact O-N 2.73Å
649N23.2Very low24.8Very low168 Ų168151.3 Ų151.390%0.89881%0.808SS**  trans-47.482.3150.4-83.8-20.4000110.4T651N649-T651 PolarHBondContact O-N 3.16Å
650R21.9Very low25Very low212 Ų212151.1 Ų151.180%0.881%0.806SS**  trans-80105.7151.4-79.4-174.1173.9-179.5-0.1105.5M648 I652M648-R650 PolarHBondContact O-N 2.73Å; R650-I652 HydrophobicContact CB-CD1 4.29Å; R650-I652 HydrophobicContact CB-CG1 3.92Å; R650-I652 PolarHBondContact O-N 3.19Å
651T23Very low24.9Very low127 Ų127146 Ų14678%0.77980%0.796SS**  trans-6179.8161.848.70000108.1N649 Y653N649-T651 PolarHBondContact O-N 3.16Å; T651-Y653 PolarHBondContact O-N 3.22Å
652I22.9Very low25Very low127 Ų127147.7 Ų147.765%0.65180%0.797SS**  trans-81.6112.4169.8-62.2174.3000104.7R650 R654R650-I652 HydrophobicContact CB-CD1 4.29Å; R650-I652 HydrophobicContact CB-CG1 3.92Å; R650-I652 PolarHBondContact O-N 3.19Å; I652-R654 PolarHBondContact O-N 2.85Å
653Y23.9Very low25Very low226 Ų226148.9 Ų148.989%0.88680%0.795SS**  trans-56.691.2161.8-67.4-92.4000107.3T651 S655T651-Y653 PolarHBondContact O-N 3.22Å; Y653-S655 PolarHBondContact O-N 3.08Å
654R22.6Very low25Very low223 Ų223150.8 Ų150.884%0.84280%0.798SS**  trans-77.5114.7169.5-126179.8-176.3168.60.6105.4I652 V656I652-R654 PolarHBondContact O-N 2.85Å; R654-V656 PolarHBondContact O-N 3.3Å
655S25.9Very low25Very low106 Ų106149.3 Ų149.374%0.74180%0.8SS**  trans-51.4113.4167.651.90000108.1Y653 G657Y653-S655 PolarHBondContact O-N 3.08Å; S655-G657 PolarHBondContact O-N 3.49Å
656V26.2Very low25.1Very low143 Ų143145.8 Ų145.887%0.86779%0.788SS**SBendtrans-69.982.1167.1-176.40000105.6R654R654-V656 PolarHBondContact O-N 3.3Å
657G26.2Very low25.1Very low51 Ų51141.7 Ų141.753%0.52678%0.775SS.*  trans-129.2-18.3-17700000114.3S655S655-G657 PolarHBondContact O-N 3.49Å
658D27.4Very low25.2Very low162 Ų162146.8 Ų146.887%0.86678%0.781SS**SBendtrans-102.815.2-170.6-72-13.3000115
659Q27Very low25.4Very low182 Ų182145.1 Ų145.185%0.8578%0.776SS**SBendtrans-136.510.2176.7-75.6-163.8-14.200117.6
660L27.6Very low25.6Very low144 Ų144144.4 Ų144.475%0.75477%0.771SS**  trans-123.257.5170.7-87101.8000112.4
661G24.3Very low25.9Very low71 Ų71138.5 Ų138.573%0.73277%0.767SS**SBendtrans-91.4-5.8163.200000114.2
662N26Very low26.2Very low148 Ų148141 Ų14179%0.79177%0.77SS**SBendtrans-13855.3-177.3-80.2-11.7000112.1
663F24.9Very low26.3Very low181 Ų181139 Ų13979%0.79477%0.772SS**SBendtrans-154.3124.2153.4-94-68.7000110
664I28.3Very low26.3Very low143 Ų143139.3 Ų139.373%0.73377%0.773SS**  trans86.874162.1-47.1155.9000115S666I664-S666 WeakPolarHBondContact CG2-OG 3.45Å
665S24.4Very low26.5Very low122 Ų122133.6 Ų133.685%0.85377%0.768SS**  trans-81.689.3137.757.20000108.8
666S27.7Very low26.6Very low92 Ų92133.8 Ų133.864%0.64376%0.764SS**  trans-111.885.1151.859.40000106.8I664 Q668I664-S666 WeakPolarHBondContact CG2-OG 3.45Å; S666-Q668 PolarHBondContact O-N 3.09Å
667S25.6Very low26.5Very low100 Ų100135 Ų13570%0.69977%0.766SS**  trans-84.669.3173.758.60000109.3
668Q26.8Very low26.5Very low172 Ų172140.9 Ų140.980%0.80478%0.78SS**SBendtrans-130.9126.9148.5-72.8-174.2-2700104.7S666S666-Q668 PolarHBondContact O-N 3.09Å
669D27.6Very low26.3Very low147 Ų147140.7 Ų140.779%0.78678%0.778SS**  trans10516.8177.2-50.1-18.1000119A671D669-A671 PolarHBondContact O-N 3.41Å
670I27.1Very low26.2Very low154 Ų154137.3 Ų137.379%0.7977%0.772SS**THydrogen-bonded Turntrans-8512.7166.6-54.5177.9000112.4H672I670-H672 VanDerWaalsContact C-N 3.31Å
671A29.5Very low26Very low88 Ų88137.4 Ų137.473%0.72777%0.773SS**THydrogen-bonded Turntrans-80.4-7.4166.700000113.7D669D669-A671 PolarHBondContact O-N 3.41Å
672H28.3Very low25.8Very low179 Ų179144.5 Ų144.583%0.82978%0.78SS**SBendtrans-135.172.1178.5-77.1-75.1000112.2I670I670-H672 VanDerWaalsContact C-N 3.31Å
673A25.9Very low25.7Very low85 Ų85147.9 Ų147.970%0.70278%0.783SS**  trans-152.135.2160.200000112.4
674Y24.1Very low25.6Very low232 Ų232148 Ų14891%0.9179%0.785SS**SBendtrans-80.4128139.1-86.1-88.1000106
675S26.3Very low25.4Very low103 Ų103150.3 Ų150.372%0.7279%0.793SS**  trans113.5137.1170.779.30000115.7
676T26.9Very low25.2Very low110 Ų110152.1 Ų152.168%0.67579%0.793SS**  trans78.7109.6173.874.30000113.9
677N25.7Very low25Very low169 Ų169151 Ų15190%0.90480%0.795SS**  cis42.166.233.2-91.68.6000111.3
678Q24.5Very low24.9Very low174 Ų174152.2 Ų152.281%0.81380%0.799SS**  trans-156136.3151.3-106.716430.500110.1
679L23.9Very low24.8Very low159 Ų159150.7 Ų150.783%0.83280%0.796SS**PPolyproline II helixtrans-64153.7-173.1-75.594.5000112N681L679-N681 PolarHBondContact O-N 3.28Å
680P26Very low24.8Very low111 Ų111153.1 Ų153.172%0.72180%0.803SS**PPolyproline II helixtrans-70.3117.7-176.427.1-32.6000111.7
681N22.4Very low24.6Very low145 Ų145152.8 Ų152.878%0.77580%0.802SS**PPolyproline II helixtrans-83.4124.2164.5-88-10.3000109.9L679L679-N681 PolarHBondContact O-N 3.28Å
682Y19.8Very low24.4Very low221 Ų221156.1 Ų156.187%0.86781%0.808SS**PPolyproline II helixtrans-67.9129.2171.9-82.6-100.8000110.2
683Y24.5Very low24.1Very low218 Ų218153.3 Ų153.386%0.85580%0.803SS**  trans-116120.6161-85.1-78.9000109.5
684E22.3Very low24.2Very low183 Ų183161 Ų16186%0.85581%0.814SS**  trans-66.7136174-72.6178.3138.200111.3N686E684-N686 PolarHBondContact O-N 3.19Å
685H23.3Very low24.2Very low193 Ų193157.9 Ų157.989%0.89481%0.812SS**  trans-68.2122.9170.2-87.2-55.1000110.8
686N21.8Very low24Very low160 Ų160160.6 Ų160.686%0.85682%0.818SS**  trans-140.1119.6163.1-101.4-23.1000111.8E684E684-N686 PolarHBondContact O-N 3.19Å
687G23.2Very low24Very low67 Ų67161 Ų16169%0.69182%0.822SS**  trans72.9154.2157.700000117
688T23.1Very low24Very low126 Ų126158.2 Ų158.277%0.77381%0.813SS**  cis-175.1144.2-7.613.60000104.6
689N24Very low23.9Very low140 Ų140157.9 Ų157.975%0.74981%0.811SS**  trans56.5115.5151-61.1-16.3000119.3
690Q28Very low24Very low198 Ų198162 Ų16293%0.92582%0.816SS**  -155.4127.9118-107.1171.326.200111.1
691L24Very low23.7Very low148 Ų148165.6 Ų165.678%0.77582%0.82SS**  trans-62.6143.9172.2-7195.2000110.7
692N25.5Very low23.8Very low158 Ų158163 Ų16385%0.84581%0.814SS**  -167.5127.1116.7-96.6-24.4000112.7
693T21.2Very low24Very low120 Ų120160.7 Ų160.774%0.73681%0.811SS**  trans-48.3138168.8450000114.4
694R28.1Very low23.9Very low247 Ų247156 Ų15693%0.93281%0.805SS**  trans-154.6135.5139.5-104.1172-153.9-163.16110.1
695L24.6Very low24Very low166 Ų166154.7 Ų154.787%0.86980%0.803SS**  trans-68.6152.7-163-76.2100.5000115.2
696L21Very low24Very low160 Ų160152 Ų15284%0.83879%0.794SS**  trans-57.7155.5159.1-77.294000112.8
697P26.7Very low24.2Very low118 Ų118154.4 Ų154.477%0.76679%0.793SS**  trans-115.9162.4136.535.6-25.9000112.4
698P26.3Very low24.4Very low110 Ų110157 Ų15771%0.71479%0.791SS**  trans-107.3162.2-153.738.7-30.6000115.5
699H22.7Very low24.4Very low167 Ų167158.2 Ų158.277%0.77379%0.793SS**  trans35118.9147.6-74.9-64.6000121.2
700R25.7Very low24.5Very low246 Ų246163 Ų16393%0.92880%0.8SS**  trans-135.4113.5136.9-146.8176.4-152.11766.1110.4
701K20.3Very low24.5Very low186 Ų186160.8 Ų160.881%0.80979%0.794SS**  trans-96.8130.9165.7-79.9178.9174.6177.50107.8
702S24Very low24.6Very low91 Ų91159.5 Ų159.564%0.63679%0.792SS**  trans155.2138.6156.354.10000105.7
703E24.3Very low24.6Very low172 Ų172156.8 Ų156.880%0.80479%0.785SS**  cis-163.7147.616.1-117.8152.6-152.900107.6
704V21.5Very low24.8Very low120 Ų120160 Ų16073%0.72779%0.792SS**  trans-76128.5168.2168.60000107.5I706V704-I706 HydrophobicContact CG1-CD1 4.38Å; V704-I706 HydrophobicContact CG1-CG1 4.11Å
705N25.5Very low24.9Very low155 Ų155156.6 Ų156.683%0.82979%0.791SS**  trans-126.4119.6163.1-99.5-27.5000110.9
706I22.7Very low24.8Very low137 Ų137158.1 Ų158.170%0.70379%0.791SS**  trans-89.8129.4177.7-68.9161.1000107.2V704V704-I706 HydrophobicContact CG1-CD1 4.38Å; V704-I706 HydrophobicContact CG1-CG1 4.11Å
707Y26.6Very low25Very low210 Ų210157.4 Ų157.482%0.82479%0.788SS**  trans-148.4111.5153.7-108.8-83.5000112
708N25.9Very low25Very low121 Ų121163.2 Ų163.265%0.64780%0.796SS**  trans65.2100.9138.8-70.2-3.2000123.8
709N23.4Very low24.8Very low153 Ų153165.3 Ų165.382%0.81880%0.797SS**  24.4115.6106.4-74.9-12.6000119.1
710R25.8Very low24.9Very low240 Ų240164.9 Ų164.991%0.90680%0.795SS**  -164.6132.6128.2-108.5176.1-164.2-1754.6111.9
711L28Very low25Very low152 Ų152162.4 Ų162.480%0.79679%0.794SS**  trans78.890.6163-68.1141.2000116.8
712V27.3Very low25.3Very low121 Ų121163.4 Ų163.473%0.73380%0.798SS**  70.188.581.5175.10000109.7
713S25.1Very low25.1Very low101 Ų101167 Ų16771%0.70681%0.808SS**  60.990.289.275.20000114.1
714E25.6Very low25Very low187 Ų187167.7 Ų167.787%0.87481%0.809SS**  trans-163.5143.9146.1-108.5171.3-163.100107.7
715L29.4Very low25.3Very low175 Ų175170.8 Ų170.892%0.91682%0.815SS**  trans80.947-164.1-67.4119000116
716K22.5Very low25.2Very low199 Ų199171.1 Ų171.187%0.86581%0.811SS**  -78.7111124.4-79.6-178.8178.4175.60106.8
717D25.5Very low25.2Very low144 Ų144175.4 Ų175.477%0.7782%0.819SS**  trans-177.488.3143.1-89.8-16.8000107
718Y27.4Very low25.4Very low240 Ų240170.1 Ų170.194%0.94181%0.81SS**  trans-176.777.9140-98.9-71.9000106.2
719Q21.9Very low25.4Very low155 Ų155175.8 Ų175.872%0.72482%0.824SS**  trans-68.3155.7164.8-87.1-102-3900110.7
720H24.5Very low25.2Very low158 Ų158175 Ų17573%0.73182%0.818SS**  trans86.896.9157.9-59.8-52000118.6
721Q28.9Very low25.3Very low194 Ų194173.9 Ų173.991%0.90782%0.816SS**  -154.7101.3116.5-105.4168.616.800111.9
722K24.7Very low25.5Very low206 Ų206171.7 Ų171.790%0.89681%0.811SS**  trans23.8109151.8-71.4176.1175.8176.10119.7
723I20.4Very low25.2Very low168 Ų168173.1 Ų173.186%0.86281%0.814SS**  trans-85.3124.7142.4-64.8166.4000107.8
724K22.6Very low25.4Very low186 Ų186177.2 Ų177.281%0.80982%0.822SS**  trans178.7121.3147.4-104.3173.2-175.6-175.90110.7
725H28.2Very low25.3Very low185 Ų185179.1 Ų179.186%0.85682%0.821SS**  trans159.387145.7-80.4-52.2000106.1
726Q22.1Very low25Very low161 Ų161175.4 Ų175.475%0.75281%0.81SS**  50.5110.882.7-81.2-170.7-10.600115.9
727R23.8Very low25.2Very low227 Ų227174.5 Ų174.586%0.85781%0.812SS**  trans95.9150132.2-74.1-172.2-178.6-1682.1120.4
728P30.9Very low25.2Very low100 Ų100170.7 Ų170.765%0.64981%0.807SS**  trans-113.3159.4-146.639.3-26.7000113.6
729Y26.2Very low25Very low239 Ų239166 Ų16694%0.93780%0.804SS**  trans-121.9115.2160.6-81.5-81.9000109.9
730I19.3Very low25.3Very low136 Ų136166 Ų16670%0.69781%0.808SS**  trans-99136.6162.3-67.9165.6000105.3
731Y27.2Very low25.2Very low218 Ų218165.6 Ų165.686%0.85581%0.811SS**  trans171.7158.5141.6-98.4-58.3000111.2
732P32.4Very low25.4Very low106 Ų106163.8 Ų163.869%0.68881%0.806SS**  -130-174.3-96.746.7-34000115.1
733N20.1Very low25.6Very low151 Ų151162.9 Ų162.981%0.80780%0.799SS**  trans-47.9137.5165.4-71.1-29.5000116.4
734H29.3Very low25.8Very low186 Ų186163 Ų16386%0.86180%0.795SS**  trans-149.9104.9145-95.9-76.3000106.6
735R23.6Very low26.3Very low227 Ų227159.9 Ų159.986%0.85780%0.797SS**  45.2104.892.3-85.9-168.1-178.2-176.41.6116.7
736S24.4Very low26.1Very low98 Ų98160 Ų16069%0.68580%0.798SS**  trans65.2150.1131.3630000121.8
737I26.9Very low26.4Very low179 Ų179160.4 Ų160.492%0.91880%0.8SS**  trans95124.3178.2-52.7155.2000109.7
738G25.2Very low27.2Very low64 Ų64159.8 Ų159.866%0.6680%0.804SS**  cis162.3143.215.800000105.1
739T22.2Very low27.3Very low143 Ų143165.5 Ų165.588%0.87783%0.827SS**  trans-50.7129.1178.443.60000113
740L28Very low27.4Very low154 Ų154161.8 Ų161.881%0.80682%0.822SS**  trans-143.2116.9155.4-137.793.8000109.3
741D23.8Very low27.8Very low149 Ų149163.2 Ų163.280%0.79783%0.829SS**  trans-62.3131.3167.5-66-50.1000110.1
742I32.4Very low27.8Very low157 Ų157160.1 Ų160.181%0.80583%0.827SS**  trans-135.3109.1158.2-59.3-179.3000107.8
743Y28.1Very low27.5Very low187 Ų187163.3 Ų163.373%0.73384%0.835SS**  trans-63.5154.4168.1-101.8-105.8000112.2
744E25.3Very low28Very low170 Ų170164.1 Ų164.179%0.79484%0.837SS**  trans57.3117.2145.5-77.4166.7-176.200120.7
745S33.3Very low27.9Very low120 Ų120162.6 Ų162.684%0.83984%0.835SS**  -155.687.1128.364.10000109.5
746E22.8Very low28.2Very low189 Ų189158 Ų15888%0.88383%0.834SS**  trans-72.1121.5141.8-75.4-172157.800106.4
747E28.5Very low28.5Very low168 Ų168162.6 Ų162.679%0.78585%0.845SS**  trans156.597151.1-91.4-178.5171.400108.6
748F41.9Very low28.7Very low214 Ų214161.3 Ų161.394%0.93984%0.839SS**  trans-128.298.9138.7-123.8-84.9000106.4
749L32.4Very low29Very low220 Ų220170.1 Ų170.1100%1.15286%0.856SS**  trans-41.30156.5-79153.5000111.7

Retrieved 749 of 749 residues in 388.1 ms (Link to these results)

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