A0A060YJZ8_ONCMY Loading...

Potassium inwardly rectifying channel subfamily J member 15

AlphaFold DB , UniProt , Accession A0A060YJZ8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene KCNJ15, Length 340 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
1M33.3Very low47.9Very low243 Ų243152.1 Ų152.1100%1.19775%0.746SS**  087.70-91.1174.1165.900108.7T3M1-T3 PolarHBondContact O-N 3.35Å
2T31Very low51.1Low139 Ų139142.8 Ų142.885%0.85370%0.701SS**  trans-79.2111.8171.938.60000108K4T2-K4 PolarHBondContact O-N 2.94Å
3T33.3Very low54.1Low139 Ų139132.3 Ų132.385%0.85365%0.65SS**  trans-54.2108168.932.90000108.5M1 K5M1-T3 PolarHBondContact O-N 3.35Å; T3-K5 VanDerWaalsContact C-N 3.34Å; T3-K5 PolarHBondContact O-N 3.27Å
4K34.9Very low56.6Low205 Ų205123.8 Ų123.889%0.89161%0.61SS**  trans-57.5102.9166.5-85.8-177.1173.9-179.90106.5T2 A6T2-K4 PolarHBondContact O-N 2.94Å; K4-A6 PolarHBondContact O-N 2.75Å
5K35Very low58.7Low201 Ų201117.7 Ų117.787%0.87458%0.579SS**  trans-53110.9162.6-136.6175.7-176.5179.20104.5T3 D7T3-K5 VanDerWaalsContact C-N 3.34Å; T3-K5 PolarHBondContact O-N 3.27Å; K5-D7 PolarHBondContact O-N 3.34Å
6A39.9Very low60.3Low75 Ų75118.8 Ų118.862%0.6259%0.588SS**  trans-53.7115.117000000105.5K4 F8K4-A6 PolarHBondContact O-N 2.75Å; A6-F8 VanDerWaalsContact C-N 3.3Å; A6-F8 PolarHBondContact O-N 3.47Å
7D44.7Very low61.7Low143 Ų143112.3 Ų112.377%0.76556%0.558SS**  trans-65.797.6-176.3-157.213.3000106.1K5 Q9K5-D7 PolarHBondContact O-N 3.34Å; D7-Q9 PolarHBondContact O-N 2.95Å
8F53.9Low63Low188 Ų188112.8 Ų112.883%0.82556%0.559SS**  trans-69.287.6178.2-99.3-89.3000106.3A6 R10A6-F8 VanDerWaalsContact C-N 3.3Å; A6-F8 PolarHBondContact O-N 3.47Å; F8-R10 PolarHBondContact O-N 3.26Å; F8-R10 VanDerWaalsContact O-N 3.13Å
9Q64.9Low64.2Low53 Ų53112.2 Ų112.225%0.24856%0.558CS.*  trans-58.1120.7174.8-163.3156.84.400107.5D7 R11 D258D7-Q9 PolarHBondContact O-N 2.95Å; Q9-R11 PolarHBondContact O-N 3.13Å; Q9-D258 PolarHBondContact NE2-OD1 2.95Å
10R70.8Confident65.2Low238 Ų238112.2 Ų112.290%0.89856%0.556SS**  trans-60.5131.7-177.1-68.4178.8-179.6175.50.4108.1F8F8-R10 PolarHBondContact O-N 3.26Å; F8-R10 VanDerWaalsContact O-N 3.13Å
11R84.7Confident66.1Low49 Ų49111.2 Ų111.219%0.18556%0.556CS.*  trans-124.3135.7-176.1-177.6-176.9-69.2-154.38.2109.7Q9 V13 K15 Q20 E260 S281 E286Q9-R11 PolarHBondContact O-N 3.13Å; R11-V13 WeakPolarHBondContact CD-O 3.43Å; R11-V13 WeakPolarHBondContact CG-O 3.33Å; R11-K15 VanDerWaalsContact NH1-CG 3.3Å; R11-Q20 WeakPolarHBondContact O-CB 3.1Å; R11-Q20 PolarHBondContact O-OE1 3.08Å; R11-Q20 VanDerWaalsContact O-OE1 3.05Å; R11-E260 WeakPolarHBondContact CA-OE2 3.5Å; R11-E260 WeakPolarHBondContact CG-OE1 3.33Å; R11-S281 WeakPolarHBondContact CD-OG 3.45Å; R11-S281 PolarHBondContact NH1-OG 3.36Å; R11-E286 IonicContact CZ-OE1 3.34Å; R11-E286 IonicContact NH1-OE1 2.83Å; R11-E286 VanDerWaalsContact NH2-CD 3.32Å; R11-E286 IonicContact NH2-OE1 2.65Å; R11-E286 PolarHBondContact NH2-OE1 2.94Å; R11-E286 IonicContact NH2-OE2 2.87Å; R11-E286 PolarHBondContact NH2-OE2 3.38Å
12I87.2Confident68.2Low41 Ų41110.7 Ų110.721%0.2154%0.541CS..SBendtrans-84.9-39.9-178.5-64.8165.9000110Q20 V21 L199 I212 E260I12-Q20 PolarHBondContact O-N 2.93Å; I12-V21 HydrophobicContact CG2-CG2 3.75Å; I12-L199 HydrophobicContact CB-CD1 4.25Å; I12-L199 HydrophobicContact CD1-CB 4.3Å; I12-L199 HydrophobicContact CD1-CD1 3.64Å; I12-L199 HydrophobicContact CG2-CD1 4.37Å; I12-I212 HydrophobicContact CD1-CD1 3.54Å; I12-I212 HydrophobicContact CD1-CG1 3.92Å; I12-I212 HydrophobicContact CD1-CG2 4.02Å; I12-I212 HydrophobicContact CG1-CD1 4.28Å; I12-E260 WeakPolarHBondContact CB-OE2 3.42Å; I12-E260 PolarHBondContact N-OE1 3.13Å; I12-E260 PolarHBondContact N-OE2 3.32Å
13V90.1Very high70.5Confident6 Ų6110.5 Ų110.54%0.03653%0.533CS..BIsolated β-bridgetrans-126125.4179.8-179.20000109.5R11 H18 E260 L262 S281R11-V13 WeakPolarHBondContact CD-O 3.43Å; R11-V13 WeakPolarHBondContact CG-O 3.33Å; V13-H18 CarbonylContact C-O 3.55Å; V13-H18 WeakPolarHBondContact CA-O 3.36Å; V13-E260 PolarHBondContact N-OE1 3.02Å; V13-E260 VanDerWaalsContact N-OE1 3.08Å; V13-L262 HydrophobicContact CB-CD1 3.91Å; V13-L262 HydrophobicContact CG1-CD1 3.95Å; V13-L262 HydrophobicContact CG2-CD1 3.75Å; V13-L262 HydrophobicContact CG2-CD2 4.43Å; V13-S281 WeakPolarHBondContact O-CB 3.46Å; V13-S281 PolarHBondContact O-OG 3.37Å
14S89Confident72.5Confident13 Ų13110.2 Ų110.29%0.09153%0.526CS..  trans-62.7165.5178.475.20000112.8D16 G17 H18S14-D16 PolarHBondContact O-N 2.91Å; S14-D16 VanDerWaalsContact O-N 3.17Å; S14-D16 PolarHBondContact OG-N 3.33Å; S14-G17 PolarHBondContact O-N 3.31Å; S14-G17 PolarHBondContact OG-N 3.26Å; S14-H18 PolarHBondContact N-O 3.04Å; S14-H18 WeakPolarHBondContact OG-CB 3.47Å; S14-H18 PolarHBondContact OG-N 3.47Å
15K88.4Confident74.2Confident33 Ų33107.4 Ų107.414%0.14352%0.521CS..THydrogen-bonded Turntrans-52.4-36.5170.3-90.2-42.5-169.8-174.70112.6R11 G17 Q164 T280 S281 E286R11-K15 VanDerWaalsContact NH1-CG 3.3Å; K15-G17 PolarHBondContact O-N 3.18Å; K15-Q164 WeakPolarHBondContact CE-O 3.45Å; K15-Q164 PolarHBondContact NZ-O 2.85Å; K15-T280 WeakPolarHBondContact O-CB 3.49Å; K15-T280 PolarHBondContact O-OG1 3.49Å; K15-S281 VanDerWaalsContact CD-O 3.29Å; K15-S281 WeakPolarHBondContact CD-O 3.41Å; K15-S281 WeakPolarHBondContact CE-O 3.46Å; K15-S281 PolarHBondContact NZ-O 2.95Å; K15-E286 WeakPolarHBondContact CE-OE1 3.34Å; K15-E286 WeakPolarHBondContact CE-OE2 3.34Å; K15-E286 VanDerWaalsContact NZ-CD 3.29Å; K15-E286 IonicContact NZ-OE1 2.75Å; K15-E286 IonicContact NZ-OE2 3.34Å; K15-E286 PolarHBondContact NZ-OE2 2.98Å
16D84.1Confident76Confident135 Ų135101 Ų10172%0.72250%0.498SS*.THydrogen-bonded Turntrans-81.23.6179.4-47.2-55.2000113.6S14S14-D16 PolarHBondContact O-N 2.91Å; S14-D16 VanDerWaalsContact O-N 3.17Å; S14-D16 PolarHBondContact OG-N 3.33Å
17G83.9Confident77.5Confident8 Ų8106.4 Ų106.48%0.08251%0.511CS..SBendtrans83.911175.800000115.6S14 K15 R279S14-G17 PolarHBondContact O-N 3.31Å; S14-G17 PolarHBondContact OG-N 3.26Å; K15-G17 PolarHBondContact O-N 3.18Å; G17-R279 WeakPolarHBondContact CA-O 3.39Å; G17-R279 PolarHBondContact N-O 3.37Å; G17-R279 PolarHBondContact O-NH2 3.5Å
18H84.8Confident78.8Confident121 Ų121101.8 Ų101.856%0.5650%0.497SS*.  trans-81.4131.1175.2-69-60.4000111.4V13 S14 Q20V13-H18 CarbonylContact C-O 3.55Å; V13-H18 WeakPolarHBondContact CA-O 3.36Å; S14-H18 PolarHBondContact N-O 3.04Å; S14-H18 WeakPolarHBondContact OG-CB 3.47Å; S14-H18 PolarHBondContact OG-N 3.47Å; H18-Q20 PolarHBondContact O-N 3.1Å
19N85.4Confident79.7Confident101 Ų10196.3 Ų96.354%0.5448%0.475SS..BIsolated β-bridgetrans-71.5128.3175.1-61.71.3000109.6R279N19-R279 PolarHBondContact OD1-NH2 3.29Å
20Q84.8Confident80.2Confident113 Ų11398.9 Ų98.953%0.52849%0.494SS..  trans-94.7-5.2177-61.3-169.34.300113R11 I12 H18 R22R11-Q20 WeakPolarHBondContact O-CB 3.1Å; R11-Q20 PolarHBondContact O-OE1 3.08Å; R11-Q20 VanDerWaalsContact O-OE1 3.05Å; I12-Q20 PolarHBondContact O-N 2.93Å; H18-Q20 PolarHBondContact O-N 3.1Å; Q20-R22 PolarHBondContact O-N 3.11Å
21V83.3Confident80.6Confident91 Ų9195.7 Ų95.755%0.55249%0.487SS*.PPolyproline II helixtrans-71.8125.8177.6-175.90000110I12I12-V21 HydrophobicContact CG2-CG2 3.75Å
22R77.6Confident80.3Confident232 Ų23298.8 Ų98.888%0.87551%0.506SS*.PPolyproline II helixtrans-93.9127169.9-67.6-176.3178.1173.3-0108.8Q20Q20-R22 PolarHBondContact O-N 3.11Å
23I78.9Confident80Confident136 Ų136103.1 Ų103.170%0.69752%0.521SS*.PPolyproline II helixtrans-87.3124.7170.6-59.8172.5000106.3V26I23-V26 HydrophobicContact CG2-CG2 3.39Å
24D76.1Confident79.5Confident132 Ų132108.5 Ų108.571%0.70655%0.549SS*.  trans-125.6155.7-179.7-161.29.9000110V26D24-V26 PolarHBondContact O-N 3.05Å
25N70.3Confident79.3Confident146 Ų146116.1 Ų116.178%0.78158%0.582SS**  trans51.945.8176.5-67.1-30.2000116.2E27N25-E27 PolarHBondContact O-N 3.02Å
26V73.7Confident79.3Confident66 Ų66117.9 Ų117.940%0.459%0.593SS.*  trans-90.2102.9167.3-179.50000108.8I23 D24 G28 M29I23-V26 HydrophobicContact CG2-CG2 3.39Å; D24-V26 PolarHBondContact O-N 3.05Å; V26-G28 PolarHBondContact O-N 2.63Å; V26-M29 HydrophobicContact CB-CG 3.46Å; V26-M29 VanDerWaalsContact CB-CG 3.46Å; V26-M29 HydrophobicContact CB-SD 4.07Å; V26-M29 HydrophobicContact CG1-CG 3.61Å; V26-M29 HydrophobicContact CG1-SD 4.15Å; V26-M29 VanDerWaalsContact O-CG 3.24Å; V26-M29 WeakPolarHBondContact O-CG 3.46Å; V26-M29 PolarHBondContact O-N 3.06Å
27E71.8Confident79.4Confident189 Ų189116.2 Ų116.288%0.88358%0.584SS**THydrogen-bonded Turntrans-56.5133.1175.3-68.2-174.1174.900110.7N25 M29N25-E27 PolarHBondContact O-N 3.02Å; E27-M29 PolarHBondContact O-N 3.41Å
28G71.6Confident79.6Confident46 Ų46121.4 Ų121.447%0.47460%0.601SS.*THydrogen-bonded Turntrans74.914.5176.400000116.1V26 V30 K31 L32V26-G28 PolarHBondContact O-N 2.63Å; G28-V30 VanDerWaalsContact C-N 3.26Å; G28-V30 PolarHBondContact O-N 3.41Å; G28-K31 WeakPolarHBondContact O-CA 3.02Å; G28-K31 WeakPolarHBondContact O-CB 2.83Å; G28-K31 PolarHBondContact O-N 3.07Å; G28-L32 PolarHBondContact O-N 3.3Å
29M72.5Confident79.7Confident74 Ų74118 Ų11837%0.36559%0.589SS.*Hα-helixtrans-45.3-48.6173.5-85.8-95.5-83.100113.2V26 E27 K31 L32 Y33V26-M29 HydrophobicContact CB-CG 3.46Å; V26-M29 VanDerWaalsContact CB-CG 3.46Å; V26-M29 HydrophobicContact CB-SD 4.07Å; V26-M29 HydrophobicContact CG1-CG 3.61Å; V26-M29 HydrophobicContact CG1-SD 4.15Å; V26-M29 VanDerWaalsContact O-CG 3.24Å; V26-M29 WeakPolarHBondContact O-CG 3.46Å; V26-M29 PolarHBondContact O-N 3.06Å; E27-M29 PolarHBondContact O-N 3.41Å; M29-K31 VanDerWaalsContact C-N 3.28Å; M29-K31 PolarHBondContact O-N 3.04Å; M29-L32 WeakPolarHBondContact O-CB 3.48Å; M29-L32 PolarHBondContact O-N 3.24Å; M29-L32 VanDerWaalsContact O-N 3.15Å; M29-Y33 HydrophobicContact CE-CE2 3.93Å; M29-Y33 WeakPolarHBondContact O-CD2 3.45Å; M29-Y33 PolarHBondContact O-N 2.95Å; M29-Y33 HydrophobicContact SD-CE2 3.82Å
30V75.8Confident79.9Confident106 Ų106115.1 Ų115.164%0.64257%0.574SS**Hα-helixtrans-60.8-38.7-179.9-179.50000111.3G28 Y33 L34G28-V30 VanDerWaalsContact C-N 3.26Å; G28-V30 PolarHBondContact O-N 3.41Å; V30-Y33 PolarHBondContact O-N 2.88Å; V30-L34 HydrophobicContact CG1-CD1 3.86Å; V30-L34 HydrophobicContact CG1-CG 4.29Å; V30-L34 WeakPolarHBondContact O-CB 3.26Å; V30-L34 VanDerWaalsContact O-CG 3.22Å; V30-L34 WeakPolarHBondContact O-CG 3.38Å; V30-L34 PolarHBondContact O-N 3.32Å
31K79.1Confident80.1Confident171 Ų171110.2 Ų110.274%0.74355%0.553SS**Hα-helixtrans-67.3-38.3177.5-170.6179.9179.5-177.80111.6G28 M29 L34 H35G28-K31 WeakPolarHBondContact O-CA 3.02Å; G28-K31 WeakPolarHBondContact O-CB 2.83Å; G28-K31 PolarHBondContact O-N 3.07Å; M29-K31 VanDerWaalsContact C-N 3.28Å; M29-K31 PolarHBondContact O-N 3.04Å; K31-L34 PolarHBondContact O-N 2.66Å; K31-H35 WeakPolarHBondContact O-CB 3.42Å; K31-H35 PolarHBondContact O-N 2.89Å
32L78.9Confident80.4Confident114 Ų114106 Ų10660%0.59753%0.527SS*.Hα-helixtrans-64.2-47.2175.1-69.4164.9000111.3G28 M29 L34 H35 D36G28-L32 PolarHBondContact O-N 3.3Å; M29-L32 WeakPolarHBondContact O-CB 3.48Å; M29-L32 PolarHBondContact O-N 3.24Å; M29-L32 VanDerWaalsContact O-N 3.15Å; L32-L34 VanDerWaalsContact C-N 3.34Å; L32-L34 PolarHBondContact O-N 2.89Å; L32-H35 PolarHBondContact O-N 3.19Å; L32-D36 PolarHBondContact O-N 3.44Å
33Y79.9Confident80.8Confident133 Ų13399.1 Ų99.152%0.52251%0.508SS..Hα-helixtrans-63.9-37.1176-76.3-70.6000112.8M29 V30 D36 T40M29-Y33 HydrophobicContact CE-CE2 3.93Å; M29-Y33 WeakPolarHBondContact O-CD2 3.45Å; M29-Y33 PolarHBondContact O-N 2.95Å; M29-Y33 HydrophobicContact SD-CE2 3.82Å; V30-Y33 PolarHBondContact O-N 2.88Å; Y33-D36 CarbonylContact O-C 3.49Å; Y33-D36 VanDerWaalsContact O-C 3.26Å; Y33-D36 PolarHBondContact O-N 3.34Å; Y33-T40 HydrophobicContact CD1-CG2 4.46Å; Y33-T40 PolarHBondContact O-OG1 2.83Å; Y33-T40 VanDerWaalsContact O-OG1 3.05Å
34L79.7Confident81.3Confident118 Ų11895.2 Ų95.262%0.61849%0.487SS*.Hα-helixtrans-73.4-26.9177.1-73174000113.3V30 K31 L32 D36 I37V30-L34 HydrophobicContact CG1-CD1 3.86Å; V30-L34 HydrophobicContact CG1-CG 4.29Å; V30-L34 WeakPolarHBondContact O-CB 3.26Å; V30-L34 VanDerWaalsContact O-CG 3.22Å; V30-L34 WeakPolarHBondContact O-CG 3.38Å; V30-L34 PolarHBondContact O-N 3.32Å; K31-L34 PolarHBondContact O-N 2.66Å; L32-L34 VanDerWaalsContact C-N 3.34Å; L32-L34 PolarHBondContact O-N 2.89Å; L34-D36 VanDerWaalsContact C-N 3.33Å; L34-I37 WeakPolarHBondContact O-CG1 3.28Å
35H85.6Confident81.9Confident173 Ų17396 Ų9680%0.80148%0.484SS*.Hα-helixtrans-74.4-29.3173.4-168-84.9000111.3K31 L32K31-H35 WeakPolarHBondContact O-CB 3.42Å; K31-H35 PolarHBondContact O-N 2.89Å; L32-H35 PolarHBondContact O-N 3.19Å
36D87.4Confident82.9Confident70 Ų7093.9 Ų93.937%0.37447%0.465SS..  trans-109.163.2176.4-165.3-0.1000112L32 Y33 L34 W38 T39 T40L32-D36 PolarHBondContact O-N 3.44Å; Y33-D36 CarbonylContact O-C 3.49Å; Y33-D36 VanDerWaalsContact O-C 3.26Å; Y33-D36 PolarHBondContact O-N 3.34Å; L34-D36 VanDerWaalsContact C-N 3.33Å; D36-W38 PolarHBondContact O-N 3.1Å; D36-T39 PolarHBondContact O-OG1 3.32Å; D36-T39 WeakPolarHBondContact OD1-CG2 3.39Å; D36-T39 PolarHBondContact OD1-N 3.28Å; D36-T39 PolarHBondContact OD1-OG1 3.38Å; D36-T39 VanDerWaalsContact OD1-OG1 3.1Å; D36-T39 WeakPolarHBondContact OD2-CB 3.44Å; D36-T39 WeakPolarHBondContact OD2-CG2 3.46Å; D36-T39 PolarHBondContact OD2-OG1 2.86Å; D36-T40 WeakPolarHBondContact O-CB 3.16Å; D36-T40 PolarHBondContact O-N 3.17Å; D36-T40 VanDerWaalsContact O-N 3.13Å; D36-T40 PolarHBondContact O-OG1 2.96Å
37I85.8Confident83.8Confident100 Ų100100.9 Ų100.951%0.51348%0.484SS..Hα-helixtrans-59.4-39-179-55.8-177.8000110.7L34 T40 V41L34-I37 WeakPolarHBondContact O-CG1 3.28Å; I37-T40 PolarHBondContact O-N 3.17Å; I37-V41 HydrophobicContact CG2-CG2 4.08Å; I37-V41 WeakPolarHBondContact O-CB 3.47Å; I37-V41 VanDerWaalsContact O-CG2 3.27Å; I37-V41 WeakPolarHBondContact O-CG2 3.45Å; I37-V41 PolarHBondContact O-N 3.24Å
38W88.1Confident84.7Confident118 Ų11898.9 Ų98.945%0.44747%0.47SS..Hα-helixtrans-63.4-54.1-177.1173.6-107000111.8D36 T40 V41 V42 F141 A145 A148D36-W38 PolarHBondContact O-N 3.1Å; W38-T40 VanDerWaalsContact C-N 3.28Å; W38-T40 PolarHBondContact O-N 3.3Å; W38-V41 PolarHBondContact O-N 3.41Å; W38-V42 HydrophobicContact CD2-CG2 4.09Å; W38-V42 HydrophobicContact CE3-CG2 4.43Å; W38-V42 HydrophobicContact CH2-CG2 4.35Å; W38-V42 HydrophobicContact CZ2-CG2 3.97Å; W38-V42 VanDerWaalsContact O-CG2 3.27Å; W38-V42 WeakPolarHBondContact O-CG2 3.23Å; W38-V42 PolarHBondContact O-N 2.87Å; W38-F141 AromaticContact CE3-CE2 3.93Å; W38-F141 HydrophobicContact CE3-CE2 3.93Å; W38-F141 HydrophobicContact CE3-CZ 4.5Å; W38-F141 HydrophobicContact CZ3-CD2 4.49Å; W38-F141 HydrophobicContact CZ3-CE2 4.23Å; W38-A145 HydrophobicContact CZ3-CB 4.2Å; W38-A148 HydrophobicContact CH2-CB 4.15Å; W38-A148 HydrophobicContact CZ2-CB 3.8Å
39T87.2Confident85.7Confident50 Ų5096.7 Ų96.731%0.30745%0.447SS..Hα-helixtrans-64.5-39179.766.60000110.8D36 V41 V42 D43D36-T39 PolarHBondContact O-OG1 3.32Å; D36-T39 WeakPolarHBondContact OD1-CG2 3.39Å; D36-T39 PolarHBondContact OD1-N 3.28Å; D36-T39 PolarHBondContact OD1-OG1 3.38Å; D36-T39 VanDerWaalsContact OD1-OG1 3.1Å; D36-T39 WeakPolarHBondContact OD2-CB 3.44Å; D36-T39 WeakPolarHBondContact OD2-CG2 3.46Å; D36-T39 PolarHBondContact OD2-OG1 2.86Å; T39-V41 PolarHBondContact O-N 2.82Å; T39-V42 PolarHBondContact O-N 3.08Å; T39-D43 WeakPolarHBondContact O-CB 3.5Å; T39-D43 PolarHBondContact O-N 3.21Å
40T89.6Confident86.6Confident39 Ų3997.3 Ų97.324%0.23945%0.451CS..Hα-helixtrans-56.3-52.4176.7-59.60000111.5Y33 D36 I37 W38 V42 D43 M44Y33-T40 HydrophobicContact CD1-CG2 4.46Å; Y33-T40 PolarHBondContact O-OG1 2.83Å; Y33-T40 VanDerWaalsContact O-OG1 3.05Å; D36-T40 WeakPolarHBondContact O-CB 3.16Å; D36-T40 PolarHBondContact O-N 3.17Å; D36-T40 VanDerWaalsContact O-N 3.13Å; D36-T40 PolarHBondContact O-OG1 2.96Å; I37-T40 PolarHBondContact O-N 3.17Å; W38-T40 VanDerWaalsContact C-N 3.28Å; W38-T40 PolarHBondContact O-N 3.3Å; T40-V42 VanDerWaalsContact C-N 3.32Å; T40-V42 PolarHBondContact O-N 3.13Å; T40-D43 PolarHBondContact O-N 3.48Å; T40-M44 VanDerWaalsContact O-CG 3.28Å; T40-M44 WeakPolarHBondContact O-CG 3.37Å; T40-M44 PolarHBondContact O-N 3.31Å
41V89.8Confident87.5Confident11 Ų1196.8 Ų96.87%0.06745%0.449CS..Hα-helixtrans-63.5-37.4178.3170.70000111.6I37 W38 T39 K49 L52 F53 F141 A145I37-V41 HydrophobicContact CG2-CG2 4.08Å; I37-V41 WeakPolarHBondContact O-CB 3.47Å; I37-V41 VanDerWaalsContact O-CG2 3.27Å; I37-V41 WeakPolarHBondContact O-CG2 3.45Å; I37-V41 PolarHBondContact O-N 3.24Å; W38-V41 PolarHBondContact O-N 3.41Å; T39-V41 PolarHBondContact O-N 2.82Å; V41-K49 WeakPolarHBondContact O-CE 3.48Å; V41-K49 PolarHBondContact O-NZ 2.79Å; V41-K49 VanDerWaalsContact O-NZ 3.15Å; V41-L52 HydrophobicContact CG2-CD2 4.45Å; V41-F53 HydrophobicContact CG1-CE1 4.38Å; V41-F53 HydrophobicContact CG1-CZ 3.86Å; V41-F141 HydrophobicContact CB-CZ 4.48Å; V41-F141 HydrophobicContact CG1-CE1 4.19Å; V41-F141 HydrophobicContact CG1-CZ 4.28Å; V41-F141 HydrophobicContact CG2-CZ 4.34Å; V41-A145 HydrophobicContact CG1-CB 4.01Å
42V89.1Confident88.1Confident2 Ų291.9 Ų91.91%0.01243%0.43CS..Hα-helixtrans-68.5-39.1177.7177.50000111.4W38 T39 T40 A148 K149 R152W38-V42 HydrophobicContact CD2-CG2 4.09Å; W38-V42 HydrophobicContact CE3-CG2 4.43Å; W38-V42 HydrophobicContact CH2-CG2 4.35Å; W38-V42 HydrophobicContact CZ2-CG2 3.97Å; W38-V42 VanDerWaalsContact O-CG2 3.27Å; W38-V42 WeakPolarHBondContact O-CG2 3.23Å; W38-V42 PolarHBondContact O-N 2.87Å; T39-V42 PolarHBondContact O-N 3.08Å; T40-V42 VanDerWaalsContact C-N 3.32Å; T40-V42 PolarHBondContact O-N 3.13Å; V42-A148 HydrophobicContact CG1-CB 4.32Å; V42-A148 HydrophobicContact CG2-CB 4.11Å; V42-K149 HydrophobicContact CG1-CB 4.42Å; V42-K149 PolarHBondContact O-NZ 2.96Å; V42-R152 VanDerWaalsContact CG1-NH2 3.28Å
43D86.8Confident88.7Confident88 Ų8887.2 Ų87.247%0.47141%0.405SS..Hα-helixtrans-81.3-22.8-176.4-82-52.8000114.4T39 T40 K149 R152T39-D43 WeakPolarHBondContact O-CB 3.5Å; T39-D43 PolarHBondContact O-N 3.21Å; T40-D43 PolarHBondContact O-N 3.48Å; D43-K149 PolarHBondContact O-NZ 2.98Å; D43-R152 VanDerWaalsContact CG-NH2 3.34Å; D43-R152 IonicContact OD1-CZ 3.66Å; D43-R152 IonicContact OD1-NH1 2.67Å; D43-R152 PolarHBondContact OD1-NH1 3.12Å; D43-R152 IonicContact OD1-NH2 2.69Å; D43-R152 PolarHBondContact OD1-NH2 3.42Å; D43-R152 IonicContact OD2-CZ 3.1Å; D43-R152 IonicContact OD2-NH1 3.62Å; D43-R152 PolarHBondContact OD2-NH1 3.32Å; D43-R152 IonicContact OD2-NH2 3.44Å; D43-R152 PolarHBondContact OD2-NH2 3.23Å
44M88.3Confident89.3Confident53 Ų5384.4 Ų84.426%0.26141%0.405SS..SBendtrans-48.8139.4174-83172.477.800113.2T40 L52 K149T40-M44 VanDerWaalsContact O-CG 3.28Å; T40-M44 WeakPolarHBondContact O-CG 3.37Å; T40-M44 PolarHBondContact O-N 3.31Å; M44-L52 HydrophobicContact CE-CB 4.4Å; M44-L52 HydrophobicContact CE-CD2 4.1Å; M44-L52 HydrophobicContact SD-CD2 4.19Å; M44-K149 VanDerWaalsContact O-CE 3.23Å; M44-K149 WeakPolarHBondContact O-CE 3.46Å; M44-K149 PolarHBondContact O-NZ 3.41Å
45K90Very high89.9Confident150 Ų15081.9 Ų81.965%0.65240%0.397SS*.  trans-59.7150.3176.1-58-178.1-175.6171.80110.3R47 Y48 K49K45-R47 PolarHBondContact O-N 2.66Å; K45-R47 VanDerWaalsContact O-N 3.14Å; K45-Y48 HydrophobicContact CB-CD2 3.88Å; K45-Y48 HydrophobicContact CB-CE2 4.36Å; K45-Y48 HydrophobicContact CD-CD2 4.43Å; K45-Y48 HydrophobicContact CD-CE2 4.09Å; K45-Y48 HydrophobicContact CG-CD2 4.34Å; K45-Y48 HydrophobicContact CG-CE2 4.47Å; K45-Y48 PolarHBondContact O-N 2.93Å; K45-Y48 VanDerWaalsContact O-N 3.09Å; K45-K49 PolarHBondContact O-N 2.69Å
46W90.3Very high90.2Very high101 Ų10177 Ų7738%0.38338%0.379SS..Hα-helixtrans-50.5-41.7-178.9-81.4115.1000113.8K49 L50 F146 K149 L150W46-K49 HydrophobicContact CE3-CD 4.23Å; W46-K49 HydrophobicContact CZ3-CD 4.08Å; W46-K49 PolarHBondContact O-N 3.49Å; W46-L50 WeakPolarHBondContact O-CB 3.34Å; W46-L50 WeakPolarHBondContact O-CG 3.44Å; W46-L50 PolarHBondContact O-N 2.85Å; W46-F146 HydrophobicContact CE3-CE1 4.45Å; W46-F146 AromaticContact CH2-CD1 3.87Å; W46-F146 HydrophobicContact CH2-CD1 3.87Å; W46-F146 HydrophobicContact CH2-CE1 4.19Å; W46-F146 AromaticContact CZ3-CD1 3.6Å; W46-F146 HydrophobicContact CZ3-CD1 3.6Å; W46-F146 AromaticContact CZ3-CE1 3.48Å; W46-F146 HydrophobicContact CZ3-CE1 3.48Å; W46-F146 VanDerWaalsContact CZ3-CE1 3.48Å; W46-F146 HydrophobicContact CZ3-CG 4.44Å; W46-F146 HydrophobicContact CZ3-CZ 4.24Å; W46-K149 HydrophobicContact CD2-CD 4.14Å; W46-K149 HydrophobicContact CE3-CD 4.45Å; W46-K149 HydrophobicContact CH2-CD 4.21Å; W46-K149 HydrophobicContact CZ2-CD 3.88Å; W46-K149 HydrophobicContact CZ2-CG 4.11Å; W46-K149 HydrophobicContact CZ3-CD 4.47Å; W46-L150 HydrophobicContact CH2-CD2 3.97Å; W46-L150 HydrophobicContact CH2-CG 4.03Å; W46-L150 HydrophobicContact CZ2-CD2 3.68Å; W46-L150 HydrophobicContact CZ2-CG 4.12Å
47R92.3Very high90.4Very high213 Ų21375.7 Ų75.780%0.80437%0.371SS*.Hα-helixtrans-58.5-52.7178.3-63.1-177.6-175.8172.7-0111.7K45 K49 L50 T51K45-R47 PolarHBondContact O-N 2.66Å; K45-R47 VanDerWaalsContact O-N 3.14Å; R47-K49 VanDerWaalsContact C-N 3.34Å; R47-K49 PolarHBondContact O-N 3.43Å; R47-L50 PolarHBondContact O-N 3.16Å; R47-T51 PolarHBondContact O-N 3.18Å; R47-T51 PolarHBondContact O-OG1 2.86Å
48Y91.9Very high90.8Very high146 Ų14674.5 Ų74.557%0.57337%0.368SS*.Hα-helixtrans-67.3-35.1179-57.1-62.8000112.6K45 L52K45-Y48 HydrophobicContact CB-CD2 3.88Å; K45-Y48 HydrophobicContact CB-CE2 4.36Å; K45-Y48 HydrophobicContact CD-CD2 4.43Å; K45-Y48 HydrophobicContact CD-CE2 4.09Å; K45-Y48 HydrophobicContact CG-CD2 4.34Å; K45-Y48 HydrophobicContact CG-CE2 4.47Å; K45-Y48 PolarHBondContact O-N 2.93Å; K45-Y48 VanDerWaalsContact O-N 3.09Å; Y48-L52 WeakPolarHBondContact O-CB 3.47Å; Y48-L52 PolarHBondContact O-N 2.87Å
49K91.6Very high91.1Very high1 Ų174.3 Ų74.30%0.00437%0.373CS..Hα-helixtrans-62.4-49.2175.7176.7172.9-70.6-1520111.8V41 K45 W46 R47 L52 F53 A145 K149V41-K49 WeakPolarHBondContact O-CE 3.48Å; V41-K49 PolarHBondContact O-NZ 2.79Å; V41-K49 VanDerWaalsContact O-NZ 3.15Å; K45-K49 PolarHBondContact O-N 2.69Å; W46-K49 HydrophobicContact CE3-CD 4.23Å; W46-K49 HydrophobicContact CZ3-CD 4.08Å; W46-K49 PolarHBondContact O-N 3.49Å; R47-K49 VanDerWaalsContact C-N 3.34Å; R47-K49 PolarHBondContact O-N 3.43Å; K49-L52 PolarHBondContact O-N 2.72Å; K49-F53 HydrophobicContact CD-CE2 3.84Å; K49-F53 HydrophobicContact CG-CD2 3.67Å; K49-F53 HydrophobicContact CG-CE2 3.35Å; K49-F53 HydrophobicContact CG-CZ 4.3Å; K49-F53 WeakPolarHBondContact O-CD2 3.2Å; K49-F53 WeakPolarHBondContact O-CG 3.1Å; K49-F53 PolarHBondContact O-N 3.23Å; K49-A145 PolarHBondContact NZ-O 2.9Å; K49-K149 HydrophobicContact CD-CD 4.11Å
50L92.3Very high91.5Very high86 Ų8673.7 Ų73.745%0.4537%0.37SS..Hα-helixtrans-62.6-47.3178.1-71.9168.3000110.8W46 R47 L52 F53 S54 F146W46-L50 WeakPolarHBondContact O-CB 3.34Å; W46-L50 WeakPolarHBondContact O-CG 3.44Å; W46-L50 PolarHBondContact O-N 2.85Å; R47-L50 PolarHBondContact O-N 3.16Å; L50-L52 PolarHBondContact O-N 2.97Å; L50-F53 PolarHBondContact O-N 3.15Å; L50-S54 WeakPolarHBondContact O-CB 3.38Å; L50-S54 PolarHBondContact O-N 3.19Å; L50-S54 PolarHBondContact O-OG 2.87Å; L50-S54 VanDerWaalsContact O-OG 3.13Å; L50-F146 HydrophobicContact CD2-CE1 4.28Å; L50-F146 HydrophobicContact CD2-CZ 3.79Å
51T92.9Very high91.8Very high96 Ų9674.3 Ų74.359%0.58937%0.368SS*.Hα-helixtrans-61.4-43.1177.2-56.40000112.3R47 S55R47-T51 PolarHBondContact O-N 3.18Å; R47-T51 PolarHBondContact O-OG1 2.86Å; T51-S55 WeakPolarHBondContact O-CB 3.37Å; T51-S55 PolarHBondContact O-N 3.4Å
52L91.7Very high92.1Very high68 Ų6878.5 Ų78.536%0.35639%0.385SS..Hα-helixtrans-58.7-51.5177.7179.570000110.8V41 M44 Y48 K49 L50 S55 T56V41-L52 HydrophobicContact CG2-CD2 4.45Å; M44-L52 HydrophobicContact CE-CB 4.4Å; M44-L52 HydrophobicContact CE-CD2 4.1Å; M44-L52 HydrophobicContact SD-CD2 4.19Å; Y48-L52 WeakPolarHBondContact O-CB 3.47Å; Y48-L52 PolarHBondContact O-N 2.87Å; K49-L52 PolarHBondContact O-N 2.72Å; L50-L52 PolarHBondContact O-N 2.97Å; L52-S55 PolarHBondContact O-N 3.03Å; L52-T56 PolarHBondContact O-N 2.88Å; L52-T56 PolarHBondContact O-OG1 3.31Å
53F91.9Very high92.4Very high15 Ų1583.2 Ų83.27%0.06641%0.41CS..Hα-helixtrans-68.1-44.2-178.2-65.8-43.9000113V41 K49 L50 S55 T56 F57 F141 V142 A145 F146V41-F53 HydrophobicContact CG1-CE1 4.38Å; V41-F53 HydrophobicContact CG1-CZ 3.86Å; K49-F53 HydrophobicContact CD-CE2 3.84Å; K49-F53 HydrophobicContact CG-CD2 3.67Å; K49-F53 HydrophobicContact CG-CE2 3.35Å; K49-F53 HydrophobicContact CG-CZ 4.3Å; K49-F53 WeakPolarHBondContact O-CD2 3.2Å; K49-F53 WeakPolarHBondContact O-CG 3.1Å; K49-F53 PolarHBondContact O-N 3.23Å; L50-F53 PolarHBondContact O-N 3.15Å; F53-S55 VanDerWaalsContact C-N 3.27Å; F53-S55 PolarHBondContact O-N 2.9Å; F53-T56 PolarHBondContact O-N 2.69Å; F53-F57 HydrophobicContact CB-CE2 4.5Å; F53-F57 WeakPolarHBondContact O-CD2 3.39Å; F53-F57 PolarHBondContact O-N 2.83Å; F53-F141 HydrophobicContact CE1-CD1 4.24Å; F53-F141 HydrophobicContact CE1-CE1 4.1Å; F53-V142 HydrophobicContact CD1-CG2 3.64Å; F53-V142 HydrophobicContact CD2-CG1 4.2Å; F53-V142 HydrophobicContact CE1-CG2 3.8Å; F53-V142 HydrophobicContact CE2-CG1 4.29Å; F53-V142 HydrophobicContact CG-CG1 4.34Å; F53-V142 HydrophobicContact CG-CG2 4.05Å; F53-V142 HydrophobicContact CZ-CG2 4.31Å; F53-A145 HydrophobicContact CZ-CB 3.91Å; F53-F146 HydrophobicContact CD2-CD2 4.18Å; F53-F146 AromaticContact CD2-CE2 3.44Å; F53-F146 HydrophobicContact CD2-CE2 3.44Å; F53-F146 VanDerWaalsContact CD2-CE2 3.44Å; F53-F146 HydrophobicContact CD2-CZ 4.32Å; F53-F146 AromaticContact CE2-CD2 3.8Å; F53-F146 HydrophobicContact CE2-CD2 3.8Å; F53-F146 AromaticContact CE2-CE2 3.52Å; F53-F146 HydrophobicContact CE2-CE2 3.52Å
54S92.6Very high92.9Very high75 Ų7580 Ų8052%0.52439%0.391SS..Hα-helixtrans-58.5-41.9174.3-65.20000111.6L50 F57 V58L50-S54 WeakPolarHBondContact O-CB 3.38Å; L50-S54 PolarHBondContact O-N 3.19Å; L50-S54 PolarHBondContact O-OG 2.87Å; L50-S54 VanDerWaalsContact O-OG 3.13Å; S54-F57 PolarHBondContact O-N 3.04Å; S54-V58 WeakPolarHBondContact O-CG2 3.27Å; S54-V58 PolarHBondContact O-N 2.8Å; S54-V58 VanDerWaalsContact O-N 3.08Å
55S93.6Very high93.3Very high65 Ų6577.4 Ų77.446%0.45538%0.379SS..Hα-helixtrans-63.4-44.9175.7-171.60000111.6T51 L52 F53 F57 V58 M59T51-S55 WeakPolarHBondContact O-CB 3.37Å; T51-S55 PolarHBondContact O-N 3.4Å; L52-S55 PolarHBondContact O-N 3.03Å; F53-S55 VanDerWaalsContact C-N 3.27Å; F53-S55 PolarHBondContact O-N 2.9Å; S55-F57 PolarHBondContact O-N 2.81Å; S55-V58 PolarHBondContact O-N 2.83Å; S55-M59 WeakPolarHBondContact O-CB 3.25Å; S55-M59 WeakPolarHBondContact O-CG 3.41Å; S55-M59 PolarHBondContact O-N 3.16Å
56T91.6Very high93.6Very high69 Ų6971.8 Ų71.842%0.42336%0.357SS..Hα-helixtrans-60.9-44.8178.4-58.20000111.5L52 F53 M59 T60L52-T56 PolarHBondContact O-N 2.88Å; L52-T56 PolarHBondContact O-OG1 3.31Å; F53-T56 PolarHBondContact O-N 2.69Å; T56-M59 PolarHBondContact O-N 2.8Å; T56-T60 HydrophobicContact CG2-CG2 4.49Å; T56-T60 WeakPolarHBondContact O-CG2 3.39Å; T56-T60 PolarHBondContact O-N 2.75Å; T56-T60 PolarHBondContact O-OG1 3.14Å
57F91.8Very high93.9Very high44 Ų4469.9 Ų69.919%0.19335%0.354CS..Hα-helixtrans-61.3-50.8177.8-76.4-61.5000112.2F53 S54 S55 M59 T60 W61 V142F53-F57 HydrophobicContact CB-CE2 4.5Å; F53-F57 WeakPolarHBondContact O-CD2 3.39Å; F53-F57 PolarHBondContact O-N 2.83Å; S54-F57 PolarHBondContact O-N 3.04Å; S55-F57 PolarHBondContact O-N 2.81Å; F57-M59 VanDerWaalsContact C-N 3.3Å; F57-M59 PolarHBondContact O-N 2.76Å; F57-T60 WeakPolarHBondContact CA-OG1 3.49Å; F57-T60 PolarHBondContact O-N 2.8Å; F57-T60 VanDerWaalsContact O-N 3.13Å; F57-T60 PolarHBondContact O-OG1 3.28Å; F57-W61 HydrophobicContact CB-CH2 4.37Å; F57-W61 HydrophobicContact CB-CZ2 3.91Å; F57-W61 PolarHBondContact O-N 2.81Å; F57-V142 HydrophobicContact CE2-CG2 4.11Å; F57-V142 HydrophobicContact CZ-CG2 4Å
58V93.9Very high94.1Very high74 Ų7459.8 Ų59.845%0.44832%0.316SS..Hα-helixtrans-59.3-41.8178.1173.30000111.5S54 S55 W61 F62S54-V58 WeakPolarHBondContact O-CG2 3.27Å; S54-V58 PolarHBondContact O-N 2.8Å; S54-V58 VanDerWaalsContact O-N 3.08Å; S55-V58 PolarHBondContact O-N 2.83Å; V58-W61 HydrophobicContact CB-CE3 4.47Å; V58-W61 HydrophobicContact CG2-CE3 4.07Å; V58-W61 HydrophobicContact CG2-CZ3 3.91Å; V58-W61 PolarHBondContact O-N 2.84Å; V58-F62 WeakPolarHBondContact O-CB 3.26Å; V58-F62 PolarHBondContact O-N 2.57Å
59M94.3Very high94.2Very high114 Ų11455.7 Ų55.756%0.56230%0.3SS*.Hα-helixtrans-65.1-39.1177-71.7-58.3-6200112.3S55 T56 F57 F62 L63S55-M59 WeakPolarHBondContact O-CB 3.25Å; S55-M59 WeakPolarHBondContact O-CG 3.41Å; S55-M59 PolarHBondContact O-N 3.16Å; T56-M59 PolarHBondContact O-N 2.8Å; F57-M59 VanDerWaalsContact C-N 3.3Å; F57-M59 PolarHBondContact O-N 2.76Å; M59-F62 PolarHBondContact O-N 3.04Å; M59-L63 VanDerWaalsContact O-CB 3.29Å; M59-L63 WeakPolarHBondContact O-CB 3.01Å; M59-L63 PolarHBondContact O-N 2.81Å
60T94.5Very high94.3Very high38 Ų3861.5 Ų61.523%0.23333%0.325CS..Hα-helixtrans-67.1-43.3175.552.80000112.3T56 F57 F62 L63 F64 Q107T56-T60 HydrophobicContact CG2-CG2 4.49Å; T56-T60 WeakPolarHBondContact O-CG2 3.39Å; T56-T60 PolarHBondContact O-N 2.75Å; T56-T60 PolarHBondContact O-OG1 3.14Å; F57-T60 WeakPolarHBondContact CA-OG1 3.49Å; F57-T60 PolarHBondContact O-N 2.8Å; F57-T60 VanDerWaalsContact O-N 3.13Å; F57-T60 PolarHBondContact O-OG1 3.28Å; T60-F62 VanDerWaalsContact C-N 3.28Å; T60-F62 PolarHBondContact O-N 3.1Å; T60-L63 PolarHBondContact O-N 3.36Å; T60-F64 WeakPolarHBondContact O-CD2 3.49Å; T60-F64 PolarHBondContact O-N 3.1Å; T60-Q107 PolarHBondContact OG1-NE2 2.89Å
61W95.4Very high94.4Very high52 Ų5258.3 Ų58.320%0.19731%0.308CS..Hα-helixtrans-59.3-42174.7-57.2-25.4000111.6F57 V58 G65 F100 S103 L104 Q107 T108F57-W61 HydrophobicContact CB-CH2 4.37Å; F57-W61 HydrophobicContact CB-CZ2 3.91Å; F57-W61 PolarHBondContact O-N 2.81Å; V58-W61 HydrophobicContact CB-CE3 4.47Å; V58-W61 HydrophobicContact CG2-CE3 4.07Å; V58-W61 HydrophobicContact CG2-CZ3 3.91Å; V58-W61 PolarHBondContact O-N 2.84Å; W61-G65 PolarHBondContact O-N 3.47Å; W61-F100 HydrophobicContact CB-CD2 4.27Å; W61-F100 HydrophobicContact CB-CE2 3.69Å; W61-F100 HydrophobicContact CB-CZ 4.45Å; W61-F100 HydrophobicContact CE3-CZ 4.36Å; W61-S103 WeakPolarHBondContact O-CB 3.37Å; W61-S103 PolarHBondContact O-OG 2.89Å; W61-L104 HydrophobicContact CD2-CD1 4.38Å; W61-L104 HydrophobicContact CD2-CG 4.26Å; W61-L104 HydrophobicContact CE3-CD1 3.92Å; W61-L104 HydrophobicContact CE3-CG 4.29Å; W61-L104 HydrophobicContact CG-CB 4.46Å; W61-L104 HydrophobicContact CZ3-CD1 4.09Å; W61-Q107 VanDerWaalsContact CD1-OE1 3.31Å; W61-T108 HydrophobicContact CZ2-CG2 3.76Å
62F96.3Very high94.3Very high98 Ų9853.9 Ų53.943%0.4328%0.282SS..Hα-helixtrans-67.6-45177.1-174.2-103000112.1V58 M59 T60 G65 V66 L96 F100V58-F62 WeakPolarHBondContact O-CB 3.26Å; V58-F62 PolarHBondContact O-N 2.57Å; M59-F62 PolarHBondContact O-N 3.04Å; T60-F62 VanDerWaalsContact C-N 3.28Å; T60-F62 PolarHBondContact O-N 3.1Å; F62-G65 PolarHBondContact O-N 3.17Å; F62-V66 HydrophobicContact CD1-CG2 4.16Å; F62-V66 HydrophobicContact CE1-CG2 3.75Å; F62-V66 HydrophobicContact CE2-CG2 4.19Å; F62-V66 HydrophobicContact CZ-CG2 3.77Å; F62-V66 VanDerWaalsContact O-CG2 3.29Å; F62-V66 WeakPolarHBondContact O-CG2 3.22Å; F62-V66 PolarHBondContact O-N 3.13Å; F62-L96 HydrophobicContact CE2-CD2 4.49Å; F62-F100 HydrophobicContact CB-CD2 4.44Å; F62-F100 HydrophobicContact CD2-CD2 4.42Å
63L96.4Very high94.2Very high102 Ų10255.1 Ų55.153%0.53429%0.287SS..Hα-helixtrans-60-50.5179.6-179.966000111.9M59 T60 V66 I67M59-L63 VanDerWaalsContact O-CB 3.29Å; M59-L63 WeakPolarHBondContact O-CB 3.01Å; M59-L63 PolarHBondContact O-N 2.81Å; T60-L63 PolarHBondContact O-N 3.36Å; L63-V66 PolarHBondContact O-N 3.36Å; L63-I67 HydrophobicContact CG-CD1 4.3Å; L63-I67 WeakPolarHBondContact O-CG1 3.35Å; L63-I67 PolarHBondContact O-N 3.08Å
64F96.6Very high94Very high19 Ų1957.9 Ų57.98%0.08332%0.319CS..Hα-helixtrans-67.5-37.1177.5-80.6-74.2000111.8T60 V66 I67 F68 S103 V127 V130 Q131T60-F64 WeakPolarHBondContact O-CD2 3.49Å; T60-F64 PolarHBondContact O-N 3.1Å; F64-V66 VanDerWaalsContact C-N 3.31Å; F64-V66 PolarHBondContact O-N 3.42Å; F64-I67 HydrophobicContact CD1-CD1 4.26Å; F64-I67 PolarHBondContact O-N 3.33Å; F64-I67 VanDerWaalsContact O-N 3.13Å; F64-F68 HydrophobicContact CB-CE2 4.3Å; F64-F68 WeakPolarHBondContact O-CD2 3.07Å; F64-F68 PolarHBondContact O-N 3.4Å; F64-S103 WeakPolarHBondContact CB-OG 3.33Å; F64-V127 HydrophobicContact CD1-CG1 3.93Å; F64-V127 HydrophobicContact CE1-CG1 4.24Å; F64-V130 HydrophobicContact CE1-CG1 4.36Å; F64-V130 HydrophobicContact CZ-CG1 4.35Å; F64-Q131 HydrophobicContact CB-CG 4.34Å; F64-Q131 HydrophobicContact CD1-CB 3.75Å; F64-Q131 HydrophobicContact CD1-CG 3.94Å; F64-Q131 HydrophobicContact CD2-CB 4.36Å; F64-Q131 HydrophobicContact CD2-CG 3.8Å; F64-Q131 HydrophobicContact CE1-CB 3.63Å; F64-Q131 HydrophobicContact CE1-CG 4.14Å; F64-Q131 HydrophobicContact CE2-CB 4.26Å; F64-Q131 HydrophobicContact CE2-CG 4.02Å; F64-Q131 HydrophobicContact CG-CB 4.13Å; F64-Q131 HydrophobicContact CG-CG 3.77Å; F64-Q131 HydrophobicContact CZ-CB 3.91Å; F64-Q131 HydrophobicContact CZ-CG 4.19Å
65G96.6Very high93.8Very high0 Ų057.1 Ų57.10%031%0.31CS..Hα-helixtrans-58.1-41.6171.800000113W61 F62 F68 Y69 A99 S103W61-G65 PolarHBondContact O-N 3.47Å; F62-G65 PolarHBondContact O-N 3.17Å; G65-F68 PolarHBondContact O-N 2.97Å; G65-Y69 WeakPolarHBondContact O-CB 3.37Å; G65-Y69 PolarHBondContact O-N 3.37Å; G65-A99 WeakPolarHBondContact CA-O 3.2Å; G65-A99 VanDerWaalsContact O-CB 3.31Å; G65-A99 WeakPolarHBondContact O-CB 3.44Å; G65-S103 PolarHBondContact N-OG 3.38Å
66V96.9Very high93.4Very high32 Ų3254.9 Ų54.919%0.19430%0.297CS..Hα-helixtrans-65.2-41.6174169.20000111.3F62 L63 F64 Y69 F70 L96F62-V66 HydrophobicContact CD1-CG2 4.16Å; F62-V66 HydrophobicContact CE1-CG2 3.75Å; F62-V66 HydrophobicContact CE2-CG2 4.19Å; F62-V66 HydrophobicContact CZ-CG2 3.77Å; F62-V66 VanDerWaalsContact O-CG2 3.29Å; F62-V66 WeakPolarHBondContact O-CG2 3.22Å; F62-V66 PolarHBondContact O-N 3.13Å; L63-V66 PolarHBondContact O-N 3.36Å; F64-V66 VanDerWaalsContact C-N 3.31Å; F64-V66 PolarHBondContact O-N 3.42Å; V66-Y69 WeakPolarHBondContact O-CB 3.18Å; V66-Y69 PolarHBondContact O-N 2.82Å; V66-F70 HydrophobicContact CG1-CD2 3.6Å; V66-F70 HydrophobicContact CG1-CE2 3.35Å; V66-F70 HydrophobicContact CG1-CZ 4.48Å; V66-F70 WeakPolarHBondContact O-CD2 3.38Å; V66-F70 PolarHBondContact O-N 2.77Å; V66-L96 HydrophobicContact CG2-CD1 4.06Å
67I96.5Very high93Very high61 Ų6153 Ų5331%0.31328%0.284SS..Hα-helixtrans-61.8-48.4176.6-66.2165.6000110.6L63 F64 Y69 F70 I71 V127L63-I67 HydrophobicContact CG-CD1 4.3Å; L63-I67 WeakPolarHBondContact O-CG1 3.35Å; L63-I67 PolarHBondContact O-N 3.08Å; F64-I67 HydrophobicContact CD1-CD1 4.26Å; F64-I67 PolarHBondContact O-N 3.33Å; F64-I67 VanDerWaalsContact O-N 3.13Å; I67-Y69 VanDerWaalsContact C-N 3.31Å; I67-Y69 PolarHBondContact O-N 3.1Å; I67-F70 PolarHBondContact O-N 2.87Å; I67-I71 HydrophobicContact CG2-CD1 4.01Å; I67-I71 WeakPolarHBondContact O-CG1 3.37Å; I67-I71 PolarHBondContact O-N 3.26Å; I67-V127 HydrophobicContact CG2-CG1 3.76Å; I67-V127 HydrophobicContact CG2-CG2 3.99Å
68F95.7Very high92.4Very high1 Ų153.5 Ų53.50%0.00429%0.286CS..Hα-helixtrans-62.5-37.6176.5-72.2-56.6000112.7F64 G65 I71 G72 I90 F102 V127 L128 Q131F64-F68 HydrophobicContact CB-CE2 4.3Å; F64-F68 WeakPolarHBondContact O-CD2 3.07Å; F64-F68 PolarHBondContact O-N 3.4Å; G65-F68 PolarHBondContact O-N 2.97Å; F68-I71 HydrophobicContact CD1-CD1 4.35Å; F68-I71 PolarHBondContact O-N 2.87Å; F68-G72 PolarHBondContact O-N 3.04Å; F68-I90 HydrophobicContact CB-CD1 3.72Å; F68-I90 HydrophobicContact CD1-CD1 3.63Å; F68-I90 HydrophobicContact CE1-CD1 4.49Å; F68-I90 HydrophobicContact CG-CD1 3.87Å; F68-F102 HydrophobicContact CB-CD1 4.49Å; F68-F102 HydrophobicContact CD1-CD1 4.44Å; F68-F102 AromaticContact CD1-CE1 3.98Å; F68-F102 HydrophobicContact CD1-CE1 3.98Å; F68-F102 AromaticContact CD2-CD1 3.77Å; F68-F102 HydrophobicContact CD2-CD1 3.77Å; F68-F102 AromaticContact CD2-CE1 3.89Å; F68-F102 HydrophobicContact CD2-CE1 3.89Å; F68-F102 AromaticContact CE1-CE1 3.86Å; F68-F102 HydrophobicContact CE1-CE1 3.86Å; F68-F102 HydrophobicContact CE2-CD1 4.02Å; F68-F102 AromaticContact CE2-CE1 3.78Å; F68-F102 HydrophobicContact CE2-CE1 3.78Å; F68-F102 AromaticContact CG-CD1 4Å; F68-F102 HydrophobicContact CG-CD1 4Å; F68-F102 AromaticContact CG-CE1 4Å; F68-F102 HydrophobicContact CG-CE1 4Å; F68-F102 HydrophobicContact CZ-CD1 4.45Å; F68-F102 AromaticContact CZ-CE1 3.76Å; F68-F102 HydrophobicContact CZ-CE1 3.76Å; F68-V127 HydrophobicContact CD1-CG1 4.27Å; F68-V127 HydrophobicContact CE1-CB 4.08Å; F68-V127 HydrophobicContact CE1-CG1 3.69Å; F68-V127 HydrophobicContact CE2-CG1 4.36Å; F68-V127 HydrophobicContact CZ-CB 4.46Å; F68-V127 HydrophobicContact CZ-CG1 3.74Å; F68-L128 HydrophobicContact CZ-CB 4.36Å; F68-Q131 VanDerWaalsContact CE2-OE1 3.23Å
69Y94.9Very high91.4Very high59 Ų5957.8 Ų57.823%0.23130%0.299CS..Hα-helixtrans-61.6-44.2173.9-175.2-107.3000111.6G65 V66 I67 I71 G72 M73 F78 L96 A99G65-Y69 WeakPolarHBondContact O-CB 3.37Å; G65-Y69 PolarHBondContact O-N 3.37Å; V66-Y69 WeakPolarHBondContact O-CB 3.18Å; V66-Y69 PolarHBondContact O-N 2.82Å; I67-Y69 VanDerWaalsContact C-N 3.31Å; I67-Y69 PolarHBondContact O-N 3.1Å; Y69-I71 VanDerWaalsContact C-N 3.34Å; Y69-I71 PolarHBondContact O-N 2.81Å; Y69-G72 PolarHBondContact O-N 3.19Å; Y69-M73 HydrophobicContact CD1-CE 4.18Å; Y69-M73 HydrophobicContact CE1-CE 3.42Å; Y69-M73 VanDerWaalsContact CE1-CE 3.42Å; Y69-M73 WeakPolarHBondContact O-CB 3.41Å; Y69-M73 PolarHBondContact O-N 2.93Å; Y69-F78 HydrophobicContact CD2-CE1 4.19Å; Y69-F78 AromaticContact CD2-CE2 3.79Å; Y69-F78 HydrophobicContact CD2-CE2 3.79Å; Y69-F78 AromaticContact CD2-CZ 3.41Å; Y69-F78 HydrophobicContact CD2-CZ 3.41Å; Y69-F78 VanDerWaalsContact CD2-CZ 3.41Å; Y69-F78 HydrophobicContact CE2-CD2 4.28Å; Y69-F78 AromaticContact CE2-CE1 3.96Å; Y69-F78 HydrophobicContact CE2-CE1 3.96Å; Y69-F78 AromaticContact CE2-CE2 3.6Å; Y69-F78 HydrophobicContact CE2-CE2 3.6Å; Y69-F78 AromaticContact CE2-CZ 3.44Å; Y69-F78 HydrophobicContact CE2-CZ 3.44Å; Y69-F78 VanDerWaalsContact CE2-CZ 3.44Å; Y69-F78 HydrophobicContact CG-CE2 4.47Å; Y69-F78 HydrophobicContact CG-CZ 4.36Å; Y69-F78 WeakPolarHBondContact O-CE2 3.32Å; Y69-L96 HydrophobicContact CD1-CD1 4.08Å; Y69-L96 HydrophobicContact CD2-CB 4.31Å; Y69-L96 HydrophobicContact CD2-CD1 4.44Å; Y69-L96 HydrophobicContact CE2-CB 4.4Å; Y69-L96 HydrophobicContact CG-CB 4.49Å; Y69-L96 HydrophobicContact CG-CD1 3.87Å; Y69-A99 HydrophobicContact CD2-CB 4.35Å
70F94.5Very high89.8Confident123 Ų12356.4 Ų56.454%0.53931%0.314SS..Hα-helixtrans-66.6-34.1175.6-78.1-59.4000113.2V66 I67 M73 G74V66-F70 HydrophobicContact CG1-CD2 3.6Å; V66-F70 HydrophobicContact CG1-CE2 3.35Å; V66-F70 HydrophobicContact CG1-CZ 4.48Å; V66-F70 WeakPolarHBondContact O-CD2 3.38Å; V66-F70 PolarHBondContact O-N 2.77Å; I67-F70 PolarHBondContact O-N 2.87Å; F70-M73 HydrophobicContact CD1-SD 4.42Å; F70-M73 PolarHBondContact O-N 2.79Å; F70-G74 PolarHBondContact O-N 2.82Å
71I93.2Very high87.9Confident20 Ų2063 Ų6310%0.10334%0.342CS..Hα-helixtrans-63.1-48.6174-68167.7000110.4I67 F68 Y69 M73 G74 N75 C89 L123 A124 V127I67-I71 HydrophobicContact CG2-CD1 4.01Å; I67-I71 WeakPolarHBondContact O-CG1 3.37Å; I67-I71 PolarHBondContact O-N 3.26Å; F68-I71 HydrophobicContact CD1-CD1 4.35Å; F68-I71 PolarHBondContact O-N 2.87Å; Y69-I71 VanDerWaalsContact C-N 3.34Å; Y69-I71 PolarHBondContact O-N 2.81Å; I71-M73 VanDerWaalsContact C-N 3.27Å; I71-M73 PolarHBondContact O-N 2.81Å; I71-G74 PolarHBondContact O-N 2.86Å; I71-N75 PolarHBondContact O-N 3.45Å; I71-C89 HydrophobicContact CG2-CB 4.36Å; I71-L123 HydrophobicContact CD1-CD2 4.37Å; I71-L123 HydrophobicContact CD1-CG 4.12Å; I71-L123 HydrophobicContact CG1-CD2 4.04Å; I71-L123 HydrophobicContact CG1-CG 4.33Å; I71-A124 HydrophobicContact CG2-CB 4.15Å; I71-V127 HydrophobicContact CD1-CB 4.24Å; I71-V127 HydrophobicContact CD1-CG2 3.88Å
72G90.7Very high86.1Confident3 Ų366.6 Ų66.63%0.03137%0.365CS..Hα-helixtrans-61.4-36.517600000112.5F68 Y69 N75 G76 D77F68-G72 PolarHBondContact O-N 3.04Å; Y69-G72 PolarHBondContact O-N 3.19Å; G72-N75 PolarHBondContact O-N 3.29Å; G72-G76 PolarHBondContact O-N 2.89Å; G72-D77 WeakPolarHBondContact CA-OD2 3.28Å; G72-D77 WeakPolarHBondContact O-CB 3.37Å; G72-D77 PolarHBondContact O-N 2.7Å
73M90.1Very high84.3Confident93 Ų9368.7 Ų68.746%0.45838%0.38SS..Hα-helixtrans-66.6-42.1176-173.4-178.3-64.200111.9Y69 F70 I71 N75 G76 F78Y69-M73 HydrophobicContact CD1-CE 4.18Å; Y69-M73 HydrophobicContact CE1-CE 3.42Å; Y69-M73 VanDerWaalsContact CE1-CE 3.42Å; Y69-M73 WeakPolarHBondContact O-CB 3.41Å; Y69-M73 PolarHBondContact O-N 2.93Å; F70-M73 HydrophobicContact CD1-SD 4.42Å; F70-M73 PolarHBondContact O-N 2.79Å; I71-M73 VanDerWaalsContact C-N 3.27Å; I71-M73 PolarHBondContact O-N 2.81Å; M73-N75 VanDerWaalsContact C-N 3.33Å; M73-G76 PolarHBondContact O-N 3.02Å; M73-F78 HydrophobicContact CB-CD2 4.04Å; M73-F78 HydrophobicContact CB-CE2 3.91Å
74G88.6Confident82.5Confident73 Ų7369.8 Ų69.875%0.75340%0.396SS*.Hα-helixtrans-64.9-35.817600000112.9F70 I71 G76F70-G74 PolarHBondContact O-N 2.82Å; I71-G74 PolarHBondContact O-N 2.86Å; G74-G76 VanDerWaalsContact C-N 3.33Å
75N87Confident81.2Confident59 Ų5976.4 Ų76.432%0.31643%0.432SS..Hα-helixtrans-77.5-18.1176.1-161.256.1000113.3I71 G72 M73 D77 H86 C89I71-N75 PolarHBondContact O-N 3.45Å; G72-N75 PolarHBondContact O-N 3.29Å; M73-N75 VanDerWaalsContact C-N 3.33Å; N75-D77 PolarHBondContact ND2-OD1 2.81Å; N75-H86 PolarHBondContact ND2-CE1 2.88Å; N75-H86 VanDerWaalsContact ND2-CE1 3.29Å; N75-H86 PolarHBondContact ND2-NE2 3.02Å; N75-H86 PolarHBondContact O-CE1 3.45Å; N75-C89 WeakPolarHBondContact CB-SG 3.06Å; N75-C89 PolarHBondContact ND2-SG 3.46Å; N75-C89 VanDerWaalsContact ND2-SG 3.39Å
76G85.9Confident80.4Confident18 Ų1879.5 Ų79.519%0.18645%0.446CS..THydrogen-bonded Turntrans88.416.6-178.600000114.6G72 M73 G74 F78 K79G72-G76 PolarHBondContact O-N 2.89Å; M73-G76 PolarHBondContact O-N 3.02Å; G74-G76 VanDerWaalsContact C-N 3.33Å; G76-F78 PolarHBondContact O-N 2.85Å; G76-K79 PolarHBondContact O-N 2.92Å; G76-K79 VanDerWaalsContact O-N 3.12Å
77D82.9Confident79.8Confident29 Ų2981.1 Ų81.116%0.15546%0.456CS..THydrogen-bonded Turntrans-60.3-19.2-175.1-64.5-7.9000113.8G72 N75 H86 P88 C89G72-D77 WeakPolarHBondContact CA-OD2 3.28Å; G72-D77 WeakPolarHBondContact O-CB 3.37Å; G72-D77 PolarHBondContact O-N 2.7Å; N75-D77 PolarHBondContact ND2-OD1 2.81Å; D77-H86 IonicContact OD1-CD2 2.77Å; D77-H86 IonicContact OD1-CE1 3.75Å; D77-H86 IonicContact OD1-NE2 3.73Å; D77-H86 PolarHBondContact OD1-NE2 2.97Å; D77-P88 HydrophobicContact CB-CB 4.02Å; D77-P88 VanDerWaalsContact OD1-CA 3.28Å; D77-P88 WeakPolarHBondContact OD1-CA 3.23Å; D77-C89 PolarHBondContact OD2-N 3.01Å
78F80.3Confident79.4Confident56 Ų5679.4 Ų79.425%0.24645%0.449CS..THydrogen-bonded Turntrans-99.6-0.7-177.3-50.5-60.5000114.5Y69 M73 G76 G80 V93 E94Y69-F78 HydrophobicContact CD2-CE1 4.19Å; Y69-F78 AromaticContact CD2-CE2 3.79Å; Y69-F78 HydrophobicContact CD2-CE2 3.79Å; Y69-F78 AromaticContact CD2-CZ 3.41Å; Y69-F78 HydrophobicContact CD2-CZ 3.41Å; Y69-F78 VanDerWaalsContact CD2-CZ 3.41Å; Y69-F78 HydrophobicContact CE2-CD2 4.28Å; Y69-F78 AromaticContact CE2-CE1 3.96Å; Y69-F78 HydrophobicContact CE2-CE1 3.96Å; Y69-F78 AromaticContact CE2-CE2 3.6Å; Y69-F78 HydrophobicContact CE2-CE2 3.6Å; Y69-F78 AromaticContact CE2-CZ 3.44Å; Y69-F78 HydrophobicContact CE2-CZ 3.44Å; Y69-F78 VanDerWaalsContact CE2-CZ 3.44Å; Y69-F78 HydrophobicContact CG-CE2 4.47Å; Y69-F78 HydrophobicContact CG-CZ 4.36Å; Y69-F78 WeakPolarHBondContact O-CE2 3.32Å; M73-F78 HydrophobicContact CB-CD2 4.04Å; M73-F78 HydrophobicContact CB-CE2 3.91Å; G76-F78 PolarHBondContact O-N 2.85Å; F78-G80 PolarHBondContact O-N 2.8Å; F78-V93 HydrophobicContact CE1-CG1 4.42Å; F78-V93 WeakPolarHBondContact CE1-O 3.34Å; F78-E94 VanDerWaalsContact CD1-O 3.3Å; F78-E94 WeakPolarHBondContact CD1-O 3.47Å
79K73.1Confident79.1Confident163 Ų16379.4 Ų79.471%0.70945%0.449SS*.  trans-81117.8-179.9-70.5-179.6-179.2173.30109.2G76 E81G76-K79 PolarHBondContact O-N 2.92Å; G76-K79 VanDerWaalsContact O-N 3.12Å; K79-E81 PolarHBondContact O-N 2.87Å
80G58.7Low79Confident85 Ų8576.8 Ų76.888%0.87644%0.439SS*.SBendtrans-64.22.5-171.600000117.1F78F78-G80 PolarHBondContact O-N 2.8Å
81E55.4Low78.8Confident176 Ų17673.3 Ų73.382%0.82243%0.425SS*.  trans-104.982.3166-71.9-174.9169.300108.1K79 L83K79-E81 PolarHBondContact O-N 2.87Å; E81-L83 PolarHBondContact O-N 2.83Å
82L57.9Low78.6Confident129 Ų12975.9 Ų75.968%0.67544%0.439SS*.  trans-60.585.2161.1-88.5139.2000107.5S84L82-S84 PolarHBondContact O-N 3.25Å
83L57.7Low78.6Confident142 Ų14276.2 Ų76.274%0.74344%0.44SS*.  trans-43.3127.1153.2-92.7151.8000105.7E81 N85 H86E81-L83 PolarHBondContact O-N 2.83Å; L83-N85 PolarHBondContact O-N 2.86Å; L83-H86 PolarHBondContact O-N 2.79Å
84S59.7Low78.4Confident125 Ų12579.2 Ų79.287%0.87445%0.453SS*.THydrogen-bonded Turntrans-58.92.8-168.6-48.90000115.6L82L82-S84 PolarHBondContact O-N 3.25Å
85N68.5Low78.6Confident158 Ų15879.3 Ų79.385%0.84544%0.439SS*.THydrogen-bonded Turntrans-117.66.9178.8-70.1-6.8000114.4L83L83-N85 PolarHBondContact O-N 2.86Å
86H80.1Confident78.9Confident65 Ų6579.7 Ų79.730%0.30144%0.441SS..  trans-90.2115.5177-171.272.6000111.5N75 D77 L83N75-H86 PolarHBondContact ND2-CE1 2.88Å; N75-H86 VanDerWaalsContact ND2-CE1 3.29Å; N75-H86 PolarHBondContact ND2-NE2 3.02Å; N75-H86 PolarHBondContact O-CE1 3.45Å; D77-H86 IonicContact OD1-CD2 2.77Å; D77-H86 IonicContact OD1-CE1 3.75Å; D77-H86 IonicContact OD1-NE2 3.73Å; D77-H86 PolarHBondContact OD1-NE2 2.97Å; L83-H86 PolarHBondContact O-N 2.79Å
87T83.9Confident79.3Confident65 Ų6583.4 Ų83.440%0.39946%0.46SS..  trans-96.8118.1172.8370000108.7E120T87-E120 WeakPolarHBondContact CB-OE1 3.35Å; T87-E120 WeakPolarHBondContact OG1-CG 3.47Å; T87-E120 PolarHBondContact OG1-OE1 2.83Å
88P88.6Confident79.8Confident25 Ų2582.3 Ų82.316%0.16246%0.456CS..  trans-71.7154.1-177.430.8-35.2000110.9D77 I90 M91 T118D77-P88 HydrophobicContact CB-CB 4.02Å; D77-P88 VanDerWaalsContact OD1-CA 3.28Å; D77-P88 WeakPolarHBondContact OD1-CA 3.23Å; P88-I90 VanDerWaalsContact C-N 3.27Å; P88-I90 PolarHBondContact O-N 3.46Å; P88-M91 HydrophobicContact CG-SD 3.38Å; P88-M91 WeakPolarHBondContact CG-SD 3.24Å; P88-T118 VanDerWaalsContact O-CG2 3.24Å; P88-T118 WeakPolarHBondContact O-CG2 3.37Å; P88-T118 PolarHBondContact O-OG1 3.28Å
89C90.2Very high80.5Confident1 Ų179.6 Ų79.61%0.00744%0.444CS..SBendtrans-64.6-36.2177.3-63.40000111.7I71 N75 D77 T118 C121 A124I71-C89 HydrophobicContact CG2-CB 4.36Å; N75-C89 WeakPolarHBondContact CB-SG 3.06Å; N75-C89 PolarHBondContact ND2-SG 3.46Å; N75-C89 VanDerWaalsContact ND2-SG 3.39Å; D77-C89 PolarHBondContact OD2-N 3.01Å; C89-T118 WeakPolarHBondContact CA-OG1 3.3Å; C89-T118 PolarHBondContact O-N 3.32Å; C89-T118 PolarHBondContact O-OG1 3.4Å; C89-C121 WeakPolarHBondContact CA-SG 3.3Å; C89-C121 HydrophobicContact CB-CB 3.59Å; C89-C121 WeakPolarHBondContact CB-SG 3.45Å; C89-C121 WeakPolarHBondContact SG-CB 3.45Å; C89-C121 CovalentContact SG-SG 2.02Å; C89-C121 PolarHBondContact SG-SG 3.05Å; C89-A124 HydrophobicContact CB-CB 4.43Å
90I91.6Very high81.6Confident4 Ų474.4 Ų74.42%0.02142%0.422CS..BIsolated β-bridgetrans-133120179.2-52.4167.1000108.2F68 P88 V93 F102 Y116F68-I90 HydrophobicContact CB-CD1 3.72Å; F68-I90 HydrophobicContact CD1-CD1 3.63Å; F68-I90 HydrophobicContact CE1-CD1 4.49Å; F68-I90 HydrophobicContact CG-CD1 3.87Å; P88-I90 VanDerWaalsContact C-N 3.27Å; P88-I90 PolarHBondContact O-N 3.46Å; I90-V93 HydrophobicContact CB-CB 4.36Å; I90-V93 HydrophobicContact CB-CG2 4.17Å; I90-V93 HydrophobicContact CG2-CB 4.2Å; I90-V93 HydrophobicContact CG2-CG2 3.49Å; I90-V93 VanDerWaalsContact CG2-CG2 3.49Å; I90-F102 HydrophobicContact CD1-CD1 3.87Å; I90-F102 HydrophobicContact CD1-CE1 3.72Å; I90-F102 HydrophobicContact CD1-CZ 4.42Å; I90-F102 HydrophobicContact CG1-CE1 4.3Å; I90-F102 HydrophobicContact CG2-CD1 4.21Å; I90-F102 HydrophobicContact CG2-CD2 3.94Å; I90-F102 HydrophobicContact CG2-CE1 4.28Å; I90-F102 HydrophobicContact CG2-CE2 4.01Å; I90-F102 HydrophobicContact CG2-CG 4.03Å; I90-F102 HydrophobicContact CG2-CZ 4.18Å; I90-Y116 WeakPolarHBondContact CA-O 3.24Å
91M91.1Very high83.4Confident50 Ų5073.3 Ų73.325%0.24640%0.395CS..THydrogen-bonded Turntrans-69.2140.8-178.8-63.2-65.9-69.100110.8P88 V93 Y116 T118P88-M91 HydrophobicContact CG-SD 3.38Å; P88-M91 WeakPolarHBondContact CG-SD 3.24Å; M91-V93 VanDerWaalsContact C-N 3.26Å; M91-V93 PolarHBondContact O-N 2.85Å; M91-Y116 HydrophobicContact CB-CD1 4.07Å; M91-Y116 HydrophobicContact CB-CD2 4.47Å; M91-Y116 HydrophobicContact CB-CE1 3.79Å; M91-Y116 HydrophobicContact CB-CE2 4.22Å; M91-Y116 HydrophobicContact CB-CG 4.41Å; M91-Y116 HydrophobicContact CG-CD1 4.46Å; M91-Y116 HydrophobicContact CG-CD2 4.09Å; M91-Y116 HydrophobicContact CG-CE1 3.97Å; M91-Y116 HydrophobicContact CG-CE2 3.56Å; M91-Y116 VanDerWaalsContact CG-CZ 3.49Å; M91-Y116 PolarHBondContact N-O 2.79Å; M91-T118 HydrophobicContact CG-CG2 3.69Å; M91-T118 HydrophobicContact SD-CG2 3.96Å
92N88.9Confident85.3Confident74 Ų7465.2 Ų65.240%0.39636%0.357SS..THydrogen-bonded Turntrans60.230.2175.1-54.2-47.6000114.8F114 R115N92-F114 HydrophobicContact CB-CD1 4.14Å; N92-F114 HydrophobicContact CB-CE1 3.64Å; N92-F114 HydrophobicContact CB-CZ 3.9Å; N92-F114 PolarHBondContact ND2-O 3.11Å; N92-R115 HydrophobicContact CB-CG 4.46Å
93V90.8Very high87.1Confident10 Ų1059 Ų596%0.06133%0.325CS..  trans-113.1101.6170.6174.40000108.3F78 I90 M91 A99 F102 R115F78-V93 HydrophobicContact CE1-CG1 4.42Å; F78-V93 WeakPolarHBondContact CE1-O 3.34Å; I90-V93 HydrophobicContact CB-CB 4.36Å; I90-V93 HydrophobicContact CB-CG2 4.17Å; I90-V93 HydrophobicContact CG2-CB 4.2Å; I90-V93 HydrophobicContact CG2-CG2 3.49Å; I90-V93 VanDerWaalsContact CG2-CG2 3.49Å; M91-V93 VanDerWaalsContact C-N 3.26Å; M91-V93 PolarHBondContact O-N 2.85Å; V93-A99 HydrophobicContact CG1-CB 3.75Å; V93-F102 HydrophobicContact CG2-CB 4.17Å; V93-R115 HydrophobicContact CG2-CB 4.46Å; V93-R115 HydrophobicContact CG2-CG 4.21Å
94E85.6Confident88.9Confident156 Ų15654 Ų5473%0.72930%0.298SS*.  trans-111.3-17.5-179.7-64.4178-177.200112.9F78F78-E94 VanDerWaalsContact CD1-O 3.3Å; F78-E94 WeakPolarHBondContact CD1-O 3.47Å
95T92.1Very high90.6Very high75 Ų7548.2 Ų48.246%0.4626%0.258SS..SBendtrans-132.4160.9-174.560.90000111.1T97 G98 A99T95-T97 PolarHBondContact O-N 3.44Å; T95-G98 WeakPolarHBondContact O-CA 3.46Å; T95-G98 PolarHBondContact O-N 2.69Å; T95-G98 PolarHBondContact OG1-N 3.15Å; T95-G98 VanDerWaalsContact OG1-N 3.15Å; T95-A99 PolarHBondContact O-N 2.67Å
96L93.5Very high91.8Very high67 Ų6741.8 Ų41.835%0.35123%0.225SC..Hα-helixtrans-56.4-37.1172.6-179.263.1000111.7F62 V66 Y69 G98 A99 F100F62-L96 HydrophobicContact CE2-CD2 4.49Å; V66-L96 HydrophobicContact CG2-CD1 4.06Å; Y69-L96 HydrophobicContact CD1-CD1 4.08Å; Y69-L96 HydrophobicContact CD2-CB 4.31Å; Y69-L96 HydrophobicContact CD2-CD1 4.44Å; Y69-L96 HydrophobicContact CE2-CB 4.4Å; Y69-L96 HydrophobicContact CG-CB 4.49Å; Y69-L96 HydrophobicContact CG-CD1 3.87Å; L96-G98 VanDerWaalsContact C-N 3.33Å; L96-G98 PolarHBondContact O-N 2.98Å; L96-A99 PolarHBondContact O-N 3.02Å; L96-F100 WeakPolarHBondContact O-CB 3.04Å; L96-F100 PolarHBondContact O-N 3.33Å
97T94.3Very high92.5Very high96 Ų9639 Ų3959%0.58921%0.212SC*.Hα-helixtrans-63.2-40.2174.6-48.80000111.5T95 F100 L101T95-T97 PolarHBondContact O-N 3.44Å; T97-F100 PolarHBondContact O-N 2.92Å; T97-L101 VanDerWaalsContact O-CG 3.32Å; T97-L101 WeakPolarHBondContact O-CG 3.35Å; T97-L101 PolarHBondContact O-N 3.44Å
98G93.3Very high92.9Very high6 Ų637.9 Ų37.96%0.06221%0.206CC..Hα-helixtrans-61.9-41.6173.500000112.6T95 L96 L101 F102T95-G98 WeakPolarHBondContact O-CA 3.46Å; T95-G98 PolarHBondContact O-N 2.69Å; T95-G98 PolarHBondContact OG1-N 3.15Å; T95-G98 VanDerWaalsContact OG1-N 3.15Å; L96-G98 VanDerWaalsContact C-N 3.33Å; L96-G98 PolarHBondContact O-N 2.98Å; G98-L101 PolarHBondContact O-N 3.29Å; G98-F102 PolarHBondContact O-N 3.17Å
99A95.3Very high93.1Very high0 Ų042.2 Ų42.20%023%0.232CC..Hα-helixtrans-69.3-37.5177.500000112.4G65 Y69 V93 T95 L96 F102 S103G65-A99 WeakPolarHBondContact CA-O 3.2Å; G65-A99 VanDerWaalsContact O-CB 3.31Å; G65-A99 WeakPolarHBondContact O-CB 3.44Å; Y69-A99 HydrophobicContact CD2-CB 4.35Å; V93-A99 HydrophobicContact CG1-CB 3.75Å; T95-A99 PolarHBondContact O-N 2.67Å; L96-A99 PolarHBondContact O-N 3.02Å; A99-F102 PolarHBondContact O-N 3.05Å; A99-S103 WeakPolarHBondContact O-CB 3.19Å; A99-S103 PolarHBondContact O-N 3.2Å
100F96.1Very high93.4Very high53 Ų5345.9 Ų45.923%0.23225%0.25CS..Hα-helixtrans-61.3-45.9170.9170.3-100.9000111.8W61 F62 L96 T97 S103 L104W61-F100 HydrophobicContact CB-CD2 4.27Å; W61-F100 HydrophobicContact CB-CE2 3.69Å; W61-F100 HydrophobicContact CB-CZ 4.45Å; W61-F100 HydrophobicContact CE3-CZ 4.36Å; F62-F100 HydrophobicContact CB-CD2 4.44Å; F62-F100 HydrophobicContact CD2-CD2 4.42Å; L96-F100 WeakPolarHBondContact O-CB 3.04Å; L96-F100 PolarHBondContact O-N 3.33Å; T97-F100 PolarHBondContact O-N 2.92Å; F100-S103 PolarHBondContact O-N 2.9Å; F100-L104 HydrophobicContact CE1-CD1 4.23Å; F100-L104 HydrophobicContact CZ-CD1 4.22Å; F100-L104 WeakPolarHBondContact O-CB 3.43Å; F100-L104 PolarHBondContact O-N 2.88Å
101L95.8Very high93.4Very high62 Ų6248.2 Ų48.233%0.32528%0.275SS..Hα-helixtrans-62.9-43.5177.2-72.1173.5000111.4T97 G98 S103 L104 E105T97-L101 VanDerWaalsContact O-CG 3.32Å; T97-L101 WeakPolarHBondContact O-CG 3.35Å; T97-L101 PolarHBondContact O-N 3.44Å; G98-L101 PolarHBondContact O-N 3.29Å; L101-S103 PolarHBondContact O-N 2.77Å; L101-L104 PolarHBondContact O-N 2.82Å; L101-E105 WeakPolarHBondContact O-CB 3.36Å; L101-E105 WeakPolarHBondContact O-CG 3.36Å; L101-E105 PolarHBondContact O-N 3.45Å
102F95.8Very high93.4Very high6 Ų653.8 Ų53.83%0.02630%0.295CS..Hα-helixtrans-57.8-49.3173175-107.1000111.5F68 I90 V93 G98 A99 L104 E105 S106 R115 I117F68-F102 HydrophobicContact CB-CD1 4.49Å; F68-F102 HydrophobicContact CD1-CD1 4.44Å; F68-F102 AromaticContact CD1-CE1 3.98Å; F68-F102 HydrophobicContact CD1-CE1 3.98Å; F68-F102 AromaticContact CD2-CD1 3.77Å; F68-F102 HydrophobicContact CD2-CD1 3.77Å; F68-F102 AromaticContact CD2-CE1 3.89Å; F68-F102 HydrophobicContact CD2-CE1 3.89Å; F68-F102 AromaticContact CE1-CE1 3.86Å; F68-F102 HydrophobicContact CE1-CE1 3.86Å; F68-F102 HydrophobicContact CE2-CD1 4.02Å; F68-F102 AromaticContact CE2-CE1 3.78Å; F68-F102 HydrophobicContact CE2-CE1 3.78Å; F68-F102 AromaticContact CG-CD1 4Å; F68-F102 HydrophobicContact CG-CD1 4Å; F68-F102 AromaticContact CG-CE1 4Å; F68-F102 HydrophobicContact CG-CE1 4Å; F68-F102 HydrophobicContact CZ-CD1 4.45Å; F68-F102 AromaticContact CZ-CE1 3.76Å; F68-F102 HydrophobicContact CZ-CE1 3.76Å; I90-F102 HydrophobicContact CD1-CD1 3.87Å; I90-F102 HydrophobicContact CD1-CE1 3.72Å; I90-F102 HydrophobicContact CD1-CZ 4.42Å; I90-F102 HydrophobicContact CG1-CE1 4.3Å; I90-F102 HydrophobicContact CG2-CD1 4.21Å; I90-F102 HydrophobicContact CG2-CD2 3.94Å; I90-F102 HydrophobicContact CG2-CE1 4.28Å; I90-F102 HydrophobicContact CG2-CE2 4.01Å; I90-F102 HydrophobicContact CG2-CG 4.03Å; I90-F102 HydrophobicContact CG2-CZ 4.18Å; V93-F102 HydrophobicContact CG2-CB 4.17Å; G98-F102 PolarHBondContact O-N 3.17Å; A99-F102 PolarHBondContact O-N 3.05Å; F102-L104 VanDerWaalsContact C-N 3.3Å; F102-L104 PolarHBondContact O-N 2.82Å; F102-E105 PolarHBondContact O-N 3.45Å; F102-S106 WeakPolarHBondContact O-CB 3.28Å; F102-S106 PolarHBondContact O-N 3.1Å; F102-S106 PolarHBondContact O-OG 2.78Å; F102-S106 VanDerWaalsContact O-OG 3.13Å; F102-R115 HydrophobicContact CB-CB 4.27Å; F102-R115 HydrophobicContact CD2-CB 3.78Å; F102-R115 HydrophobicContact CG-CB 4.46Å; F102-I117 HydrophobicContact CZ-CB 4.41Å
103S96.8Very high93.4Very high0 Ų052.5 Ų52.50%030%0.299CS..Hα-helixtrans-58.6-41.6177.6-177.20000112.5W61 F64 G65 A99 F100 L101 Q107 Q131W61-S103 WeakPolarHBondContact O-CB 3.37Å; W61-S103 PolarHBondContact O-OG 2.89Å; F64-S103 WeakPolarHBondContact CB-OG 3.33Å; G65-S103 PolarHBondContact N-OG 3.38Å; A99-S103 WeakPolarHBondContact O-CB 3.19Å; A99-S103 PolarHBondContact O-N 3.2Å; F100-S103 PolarHBondContact O-N 2.9Å; L101-S103 PolarHBondContact O-N 2.77Å; S103-Q107 WeakPolarHBondContact O-CB 3.46Å; S103-Q107 PolarHBondContact O-N 2.95Å; S103-Q131 PolarHBondContact O-NE2 3.17Å; S103-Q131 PolarHBondContact OG-NE2 3.41Å; S103-Q131 VanDerWaalsContact OG-NE2 3.1Å
104L95.6Very high93.5Very high35 Ų3557.7 Ų57.718%0.18332%0.321CS..Hα-helixtrans-63.3-51.9175.6-178.9160.4000110.3W61 F100 L101 F102 S106 Q107 T108 I110W61-L104 HydrophobicContact CD2-CD1 4.38Å; W61-L104 HydrophobicContact CD2-CG 4.26Å; W61-L104 HydrophobicContact CE3-CD1 3.92Å; W61-L104 HydrophobicContact CE3-CG 4.29Å; W61-L104 HydrophobicContact CG-CB 4.46Å; W61-L104 HydrophobicContact CZ3-CD1 4.09Å; F100-L104 HydrophobicContact CE1-CD1 4.23Å; F100-L104 HydrophobicContact CZ-CD1 4.22Å; F100-L104 WeakPolarHBondContact O-CB 3.43Å; F100-L104 PolarHBondContact O-N 2.88Å; L101-L104 PolarHBondContact O-N 2.82Å; F102-L104 VanDerWaalsContact C-N 3.3Å; F102-L104 PolarHBondContact O-N 2.82Å; L104-S106 VanDerWaalsContact C-N 3.3Å; L104-S106 PolarHBondContact O-N 3.22Å; L104-Q107 PolarHBondContact O-N 2.85Å; L104-T108 PolarHBondContact O-N 2.95Å; L104-T108 PolarHBondContact O-OG1 3.29Å; L104-I110 HydrophobicContact CD2-CD1 4.35Å
105E95.2Very high93.9Very high5 Ų552.7 Ų52.72%0.02330%0.295CS..Hα-helixtrans-57.2-41.6-178.4-73.3170.5-141.100112.4L101 F102 T109 I110 G111 Y112 R115L101-E105 WeakPolarHBondContact O-CB 3.36Å; L101-E105 WeakPolarHBondContact O-CG 3.36Å; L101-E105 PolarHBondContact O-N 3.45Å; F102-E105 PolarHBondContact O-N 3.45Å; E105-T109 PolarHBondContact O-N 3.19Å; E105-I110 PolarHBondContact O-N 2.86Å; E105-G111 PolarHBondContact O-N 3.27Å; E105-G111 VanDerWaalsContact O-N 3.13Å; E105-Y112 VanDerWaalsContact CD-CD2 3.45Å; E105-Y112 HydrophobicContact CG-CD2 3.61Å; E105-Y112 HydrophobicContact CG-CE2 3.94Å; E105-R115 IonicContact OE1-CZ 2.75Å; E105-R115 IonicContact OE1-NH1 3.87Å; E105-R115 PolarHBondContact OE1-NH1 3.01Å
106S94.1Very high93.9Very high22 Ų2254.7 Ų54.715%0.15430%0.295CS..Hα-helixtrans-70.8-44.1176.2-61.30000112F102 L104 T109F102-S106 WeakPolarHBondContact O-CB 3.28Å; F102-S106 PolarHBondContact O-N 3.1Å; F102-S106 PolarHBondContact O-OG 2.78Å; F102-S106 VanDerWaalsContact O-OG 3.13Å; L104-S106 VanDerWaalsContact C-N 3.3Å; L104-S106 PolarHBondContact O-N 3.22Å; S106-T109 PolarHBondContact O-N 2.58Å
107Q94.1Very high93.9Very high6 Ų653.6 Ų53.63%0.02829%0.289CS..Hα-helixtrans-68.1-44.4-176.5-163.2163-42.400112.7T60 W61 S103 L104 T109 T135T60-Q107 PolarHBondContact OG1-NE2 2.89Å; W61-Q107 VanDerWaalsContact CD1-OE1 3.31Å; S103-Q107 WeakPolarHBondContact O-CB 3.46Å; S103-Q107 PolarHBondContact O-N 2.95Å; L104-Q107 PolarHBondContact O-N 2.85Å; Q107-T109 PolarHBondContact O-N 2.85Å; Q107-T135 VanDerWaalsContact CD-OG1 3.29Å; Q107-T135 HydrophobicContact CG-CG2 3.48Å; Q107-T135 VanDerWaalsContact CG-CG2 3.48Å; Q107-T135 WeakPolarHBondContact CG-OG1 3.2Å
108T92.9Very high93.8Very high43 Ų4349.9 Ų49.926%0.26427%0.266SS..THydrogen-bonded Turntrans-84.46.8179.762.70000112.6W61 L104 I110W61-T108 HydrophobicContact CZ2-CG2 3.76Å; L104-T108 PolarHBondContact O-N 2.95Å; L104-T108 PolarHBondContact O-OG1 3.29Å; T108-I110 PolarHBondContact O-N 2.74Å; T108-I110 WeakPolarHBondContact OG1-CD1 3.33Å; T108-I110 VanDerWaalsContact OG1-CG1 3.26Å; T108-I110 WeakPolarHBondContact OG1-CG1 3.4Å
109T92.8Very high93.6Very high115 Ų11556.3 Ų56.371%0.70630%0.299SS*.THydrogen-bonded Turntrans51.231.8-178.169.60000113.6E105 S106 Q107E105-T109 PolarHBondContact O-N 3.19Å; S106-T109 PolarHBondContact O-N 2.58Å; Q107-T109 PolarHBondContact O-N 2.85Å
110I95.3Very high93.2Very high79 Ų7961.1 Ų61.141%0.40532%0.322SS..  trans-76.9-46.6176.4-70170.2000109.1L104 E105 T108 Y112L104-I110 HydrophobicContact CD2-CD1 4.35Å; E105-I110 PolarHBondContact O-N 2.86Å; T108-I110 PolarHBondContact O-N 2.74Å; T108-I110 WeakPolarHBondContact OG1-CD1 3.33Å; T108-I110 VanDerWaalsContact OG1-CG1 3.26Å; T108-I110 WeakPolarHBondContact OG1-CG1 3.4Å; I110-Y112 HydrophobicContact CG2-CD1 3.66Å; I110-Y112 HydrophobicContact CG2-CD2 4.21Å; I110-Y112 HydrophobicContact CG2-CE1 3.3Å; I110-Y112 HydrophobicContact CG2-CE2 3.89Å; I110-Y112 HydrophobicContact CG2-CG 4.09Å; I110-Y112 VanDerWaalsContact CG2-CZ 3.42Å
111G91.1Very high93Very high52 Ų5259.1 Ų59.154%0.53631%0.314SS..  trans48.464.4173.200000114.2E105 G113E105-G111 PolarHBondContact O-N 3.27Å; E105-G111 VanDerWaalsContact O-N 3.13Å; G111-G113 PolarHBondContact O-N 2.94Å
112Y92.1Very high92.9Very high168 Ų16860.9 Ų60.966%0.65933%0.329SS*.  trans-57.6-21-180-64.2-56.5000113.5E105 I110 F114E105-Y112 VanDerWaalsContact CD-CD2 3.45Å; E105-Y112 HydrophobicContact CG-CD2 3.61Å; E105-Y112 HydrophobicContact CG-CE2 3.94Å; I110-Y112 HydrophobicContact CG2-CD1 3.66Å; I110-Y112 HydrophobicContact CG2-CD2 4.21Å; I110-Y112 HydrophobicContact CG2-CE1 3.3Å; I110-Y112 HydrophobicContact CG2-CE2 3.89Å; I110-Y112 HydrophobicContact CG2-CG 4.09Å; I110-Y112 VanDerWaalsContact CG2-CZ 3.42Å; Y112-F114 VanDerWaalsContact C-N 3.26Å; Y112-F114 PolarHBondContact O-N 3.39Å
113G89.1Confident92.8Very high47 Ų4765.7 Ų65.749%0.48536%0.355SS..SBendtrans84.8-7.1175.900000114.2G111 R115G111-G113 PolarHBondContact O-N 2.94Å; G113-R115 VanDerWaalsContact C-N 3.34Å
114F92.6Very high92.6Very high119 Ų11965.7 Ų65.752%0.52236%0.355SS..SBendtrans-67.7-36.2171.4-177.4-105000111.8N92 Y112N92-F114 HydrophobicContact CB-CD1 4.14Å; N92-F114 HydrophobicContact CB-CE1 3.64Å; N92-F114 HydrophobicContact CB-CZ 3.9Å; N92-F114 PolarHBondContact ND2-O 3.11Å; Y112-F114 VanDerWaalsContact C-N 3.26Å; Y112-F114 PolarHBondContact O-N 3.39Å
115R93.4Very high92.6Very high50 Ų5067.4 Ų67.419%0.18936%0.364CS..SBendtrans-110.9123.3173.4-61.6170.9-172.687.810108.2N92 V93 F102 E105 G113N92-R115 HydrophobicContact CB-CG 4.46Å; V93-R115 HydrophobicContact CG2-CB 4.46Å; V93-R115 HydrophobicContact CG2-CG 4.21Å; F102-R115 HydrophobicContact CB-CB 4.27Å; F102-R115 HydrophobicContact CD2-CB 3.78Å; F102-R115 HydrophobicContact CG-CB 4.46Å; E105-R115 IonicContact OE1-CZ 2.75Å; E105-R115 IonicContact OE1-NH1 3.87Å; E105-R115 PolarHBondContact OE1-NH1 3.01Å; G113-R115 VanDerWaalsContact C-N 3.34Å
116Y92.6Very high92.7Very high117 Ų11773.6 Ų73.646%0.45939%0.391SS..  trans-146.4154.5-179.463.2-88.9000110.6I90 M91I90-Y116 WeakPolarHBondContact CA-O 3.24Å; M91-Y116 HydrophobicContact CB-CD1 4.07Å; M91-Y116 HydrophobicContact CB-CD2 4.47Å; M91-Y116 HydrophobicContact CB-CE1 3.79Å; M91-Y116 HydrophobicContact CB-CE2 4.22Å; M91-Y116 HydrophobicContact CB-CG 4.41Å; M91-Y116 HydrophobicContact CG-CD1 4.46Å; M91-Y116 HydrophobicContact CG-CD2 4.09Å; M91-Y116 HydrophobicContact CG-CE1 3.97Å; M91-Y116 HydrophobicContact CG-CE2 3.56Å; M91-Y116 VanDerWaalsContact CG-CZ 3.49Å; M91-Y116 PolarHBondContact N-O 2.79Å
117I93.9Very high92.8Very high44 Ų4473.3 Ų73.323%0.22639%0.388CS..BIsolated β-bridgetrans-83.1141.3-179.9-162.9166.2000110.5F102 A124 I125 L128F102-I117 HydrophobicContact CZ-CB 4.41Å; I117-A124 HydrophobicContact CD1-CB 3.49Å; I117-A124 VanDerWaalsContact CD1-CB 3.49Å; I117-A124 WeakPolarHBondContact CD1-O 3.36Å; I117-A124 HydrophobicContact CG1-CB 4.06Å; I117-I125 HydrophobicContact CD1-CB 4.43Å; I117-I125 HydrophobicContact CD1-CG1 3.88Å; I117-I125 HydrophobicContact CG1-CG1 4.41Å; I117-L128 HydrophobicContact CD1-CB 4.46Å; I117-L128 HydrophobicContact CD1-CD2 4.37Å; I117-L128 HydrophobicContact CG2-CD2 4.19Å
118T90.9Very high92.8Very high18 Ų1874.7 Ų74.711%0.1140%0.396CS..  trans-96.6166.5173.462.60000110.7P88 C89 M91 E120P88-T118 VanDerWaalsContact O-CG2 3.24Å; P88-T118 WeakPolarHBondContact O-CG2 3.37Å; P88-T118 PolarHBondContact O-OG1 3.28Å; C89-T118 WeakPolarHBondContact CA-OG1 3.3Å; C89-T118 PolarHBondContact O-N 3.32Å; C89-T118 PolarHBondContact O-OG1 3.4Å; M91-T118 HydrophobicContact CG-CG2 3.69Å; M91-T118 HydrophobicContact SD-CG2 3.96Å; T118-E120 PolarHBondContact O-N 2.82Å
119D89.8Confident93Very high141 Ų14176.4 Ų76.475%0.75441%0.406SS*.THydrogen-bonded Turntrans-79.7-2.5178.155.8-39.4000114.2
120E87.3Confident93.1Very high101 Ų10173.4 Ų73.447%0.47239%0.387SS..THydrogen-bonded Turntrans-70.9-33.1-176-62.7-70.9-178.500113.7T87 T118 P122T87-E120 WeakPolarHBondContact CB-OE1 3.35Å; T87-E120 WeakPolarHBondContact OG1-CG 3.47Å; T87-E120 PolarHBondContact OG1-OE1 2.83Å; T118-E120 PolarHBondContact O-N 2.82Å; E120-P122 VanDerWaalsContact O-CD 3.26Å; E120-P122 WeakPolarHBondContact O-CD 3.27Å
121C91.4Very high93.2Very high11 Ų1169.7 Ų69.77%0.07437%0.368CS..  trans-117.192.6-170.3-58.20000111.7C89 L123 A124 I125C89-C121 WeakPolarHBondContact CA-SG 3.3Å; C89-C121 HydrophobicContact CB-CB 3.59Å; C89-C121 WeakPolarHBondContact CB-SG 3.45Å; C89-C121 WeakPolarHBondContact SG-CB 3.45Å; C89-C121 CovalentContact SG-SG 2.02Å; C89-C121 PolarHBondContact SG-SG 3.05Å; C121-L123 PolarHBondContact O-N 3.3Å; C121-L123 VanDerWaalsContact O-N 3.11Å; C121-A124 HydrophobicContact CB-CB 4.01Å; C121-A124 WeakPolarHBondContact O-CB 3.45Å; C121-A124 PolarHBondContact O-N 3.38Å; C121-I125 PolarHBondContact O-N 3.33Å
122P93.3Very high93.3Very high99 Ų9971.1 Ų71.164%0.64336%0.363SS*.Hα-helixtrans-56.8-31.1178-26.633.4000113.5E120 I125 F126E120-P122 VanDerWaalsContact O-CD 3.26Å; E120-P122 WeakPolarHBondContact O-CD 3.27Å; P122-I125 PolarHBondContact O-N 2.83Å; P122-F126 WeakPolarHBondContact O-CB 3.43Å; P122-F126 PolarHBondContact O-N 2.95Å
123L94.1Very high93.5Very high107 Ų10767.3 Ų67.356%0.5636%0.357SS*.Hα-helixtrans-64.3-40.2177.2-177.363.4000112I71 C121 I125 F126 V127I71-L123 HydrophobicContact CD1-CD2 4.37Å; I71-L123 HydrophobicContact CD1-CG 4.12Å; I71-L123 HydrophobicContact CG1-CD2 4.04Å; I71-L123 HydrophobicContact CG1-CG 4.33Å; C121-L123 PolarHBondContact O-N 3.3Å; C121-L123 VanDerWaalsContact O-N 3.11Å; L123-I125 VanDerWaalsContact C-N 3.32Å; L123-F126 PolarHBondContact O-N 3.39Å; L123-V127 WeakPolarHBondContact O-CG2 3.43Å; L123-V127 PolarHBondContact O-N 3.37Å
124A93.9Very high93.6Very high0 Ų068 Ų680%035%0.352CS..Hα-helixtrans-65-40.7177.100000110.5I71 C89 I117 C121 V127 L128I71-A124 HydrophobicContact CG2-CB 4.15Å; C89-A124 HydrophobicContact CB-CB 4.43Å; I117-A124 HydrophobicContact CD1-CB 3.49Å; I117-A124 VanDerWaalsContact CD1-CB 3.49Å; I117-A124 WeakPolarHBondContact CD1-O 3.36Å; I117-A124 HydrophobicContact CG1-CB 4.06Å; C121-A124 HydrophobicContact CB-CB 4.01Å; C121-A124 WeakPolarHBondContact O-CB 3.45Å; C121-A124 PolarHBondContact O-N 3.38Å; A124-V127 PolarHBondContact O-N 2.78Å; A124-L128 WeakPolarHBondContact O-CB 3.5Å; A124-L128 PolarHBondContact O-N 3.27Å
125I95.4Very high93.6Very high72 Ų7262.7 Ų62.737%0.36933%0.329SS..Hα-helixtrans-64-45.1178-60.6172.3000109.8I117 C121 P122 L123 V127 L128 V129I117-I125 HydrophobicContact CD1-CB 4.43Å; I117-I125 HydrophobicContact CD1-CG1 3.88Å; I117-I125 HydrophobicContact CG1-CG1 4.41Å; C121-I125 PolarHBondContact O-N 3.33Å; P122-I125 PolarHBondContact O-N 2.83Å; L123-I125 VanDerWaalsContact C-N 3.32Å; I125-V127 PolarHBondContact O-N 3.39Å; I125-L128 WeakPolarHBondContact O-CB 3.33Å; I125-L128 PolarHBondContact O-N 3.4Å; I125-V129 WeakPolarHBondContact O-CG2 3.29Å; I125-V129 PolarHBondContact O-N 3.14Å
126F96Very high93.5Very high134 Ų13461.6 Ų61.659%0.58833%0.334SS*.Hα-helixtrans-60.5-45.5176.6177.7-99.4000112.1P122 L123 L128 V129 V130P122-F126 WeakPolarHBondContact O-CB 3.43Å; P122-F126 PolarHBondContact O-N 2.95Å; L123-F126 PolarHBondContact O-N 3.39Å; F126-L128 VanDerWaalsContact C-N 3.32Å; F126-L128 PolarHBondContact O-N 2.75Å; F126-V129 PolarHBondContact O-N 3.21Å; F126-V130 HydrophobicContact CD1-CG2 4.23Å; F126-V130 HydrophobicContact CE1-CG2 3.76Å; F126-V130 HydrophobicContact CE2-CG2 4.24Å; F126-V130 HydrophobicContact CZ-CG2 3.76Å; F126-V130 WeakPolarHBondContact O-CG2 2.96Å; F126-V130 PolarHBondContact O-N 3.05Å
127V96.2Very high93.5Very high17 Ų1761.6 Ų61.610%0.10334%0.341CS..Hα-helixtrans-62.8-39.7177.1170.10000111.5F64 I67 F68 I71 L123 A124 I125 V129 V130 Q131F64-V127 HydrophobicContact CD1-CG1 3.93Å; F64-V127 HydrophobicContact CE1-CG1 4.24Å; I67-V127 HydrophobicContact CG2-CG1 3.76Å; I67-V127 HydrophobicContact CG2-CG2 3.99Å; F68-V127 HydrophobicContact CD1-CG1 4.27Å; F68-V127 HydrophobicContact CE1-CB 4.08Å; F68-V127 HydrophobicContact CE1-CG1 3.69Å; F68-V127 HydrophobicContact CE2-CG1 4.36Å; F68-V127 HydrophobicContact CZ-CB 4.46Å; F68-V127 HydrophobicContact CZ-CG1 3.74Å; I71-V127 HydrophobicContact CD1-CB 4.24Å; I71-V127 HydrophobicContact CD1-CG2 3.88Å; L123-V127 WeakPolarHBondContact O-CG2 3.43Å; L123-V127 PolarHBondContact O-N 3.37Å; A124-V127 PolarHBondContact O-N 2.78Å; I125-V127 PolarHBondContact O-N 3.39Å; V127-V129 PolarHBondContact O-N 3.13Å; V127-V130 PolarHBondContact O-N 3.34Å; V127-Q131 WeakPolarHBondContact O-CB 3.07Å; V127-Q131 PolarHBondContact O-N 3.42Å
128L95.3Very high93.4Very high35 Ų3561.2 Ų61.218%0.18334%0.344CS..Hα-helixtrans-60.1-44.5173.9179.864.9000111.5F68 I117 A124 I125 F126 V130 Q131 L132F68-L128 HydrophobicContact CZ-CB 4.36Å; I117-L128 HydrophobicContact CD1-CB 4.46Å; I117-L128 HydrophobicContact CD1-CD2 4.37Å; I117-L128 HydrophobicContact CG2-CD2 4.19Å; A124-L128 WeakPolarHBondContact O-CB 3.5Å; A124-L128 PolarHBondContact O-N 3.27Å; I125-L128 WeakPolarHBondContact O-CB 3.33Å; I125-L128 PolarHBondContact O-N 3.4Å; F126-L128 VanDerWaalsContact C-N 3.32Å; F126-L128 PolarHBondContact O-N 2.75Å; L128-V130 PolarHBondContact O-N 2.9Å; L128-Q131 WeakPolarHBondContact O-CB 3.33Å; L128-Q131 PolarHBondContact O-N 3.39Å; L128-L132 HydrophobicContact CG-CD1 4.46Å; L128-L132 WeakPolarHBondContact O-CG 3.43Å; L128-L132 PolarHBondContact O-N 3.44Å
129V96Very high93.4Very high79 Ų7964.6 Ų64.648%0.47936%0.359SS..Hα-helixtrans-61.2-45.6175.8172.60000111.1I125 F126 V127 Q131 L132 V133I125-V129 WeakPolarHBondContact O-CG2 3.29Å; I125-V129 PolarHBondContact O-N 3.14Å; F126-V129 PolarHBondContact O-N 3.21Å; V127-V129 PolarHBondContact O-N 3.13Å; V129-Q131 VanDerWaalsContact C-N 3.32Å; V129-Q131 PolarHBondContact O-N 2.82Å; V129-L132 PolarHBondContact O-N 2.85Å; V129-V133 HydrophobicContact CG1-CG2 4.49Å; V129-V133 WeakPolarHBondContact O-CG2 3.41Å; V129-V133 PolarHBondContact O-N 2.92Å
130V96.3Very high93.5Very high52 Ų5263.7 Ų63.732%0.31535%0.353SS..Hα-helixtrans-61.3-41.6176.4171.30000111.2F64 F126 V127 L128 V133 T134F64-V130 HydrophobicContact CE1-CG1 4.36Å; F64-V130 HydrophobicContact CZ-CG1 4.35Å; F126-V130 HydrophobicContact CD1-CG2 4.23Å; F126-V130 HydrophobicContact CE1-CG2 3.76Å; F126-V130 HydrophobicContact CE2-CG2 4.24Å; F126-V130 HydrophobicContact CZ-CG2 3.76Å; F126-V130 WeakPolarHBondContact O-CG2 2.96Å; F126-V130 PolarHBondContact O-N 3.05Å; V127-V130 PolarHBondContact O-N 3.34Å; L128-V130 PolarHBondContact O-N 2.9Å; V130-V133 PolarHBondContact O-N 3.46Å; V130-T134 HydrophobicContact CG1-CG2 4.23Å; V130-T134 WeakPolarHBondContact O-CB 3.02Å; V130-T134 VanDerWaalsContact O-CG2 3.29Å; V130-T134 WeakPolarHBondContact O-CG2 3.15Å; V130-T134 PolarHBondContact O-N 3.13Å; V130-T134 PolarHBondContact O-OG1 3.38Å
131Q95.8Very high93.7Very high0 Ų062.9 Ų62.90%035%0.348CS..Hα-helixtrans-59.9-46.6176-173.8-176.113.500111.6F64 F68 S103 V127 L128 V129 T134 T135F64-Q131 HydrophobicContact CB-CG 4.34Å; F64-Q131 HydrophobicContact CD1-CB 3.75Å; F64-Q131 HydrophobicContact CD1-CG 3.94Å; F64-Q131 HydrophobicContact CD2-CB 4.36Å; F64-Q131 HydrophobicContact CD2-CG 3.8Å; F64-Q131 HydrophobicContact CE1-CB 3.63Å; F64-Q131 HydrophobicContact CE1-CG 4.14Å; F64-Q131 HydrophobicContact CE2-CB 4.26Å; F64-Q131 HydrophobicContact CE2-CG 4.02Å; F64-Q131 HydrophobicContact CG-CB 4.13Å; F64-Q131 HydrophobicContact CG-CG 3.77Å; F64-Q131 HydrophobicContact CZ-CB 3.91Å; F64-Q131 HydrophobicContact CZ-CG 4.19Å; F68-Q131 VanDerWaalsContact CE2-OE1 3.23Å; S103-Q131 PolarHBondContact O-NE2 3.17Å; S103-Q131 PolarHBondContact OG-NE2 3.41Å; S103-Q131 VanDerWaalsContact OG-NE2 3.1Å; V127-Q131 WeakPolarHBondContact O-CB 3.07Å; V127-Q131 PolarHBondContact O-N 3.42Å; L128-Q131 WeakPolarHBondContact O-CB 3.33Å; L128-Q131 PolarHBondContact O-N 3.39Å; V129-Q131 VanDerWaalsContact C-N 3.32Å; V129-Q131 PolarHBondContact O-N 2.82Å; Q131-T134 WeakPolarHBondContact CA-OG1 2.99Å; Q131-T134 PolarHBondContact O-OG1 2.87Å; Q131-T135 VanDerWaalsContact O-CB 3.25Å; Q131-T135 WeakPolarHBondContact O-CB 3.46Å; Q131-T135 PolarHBondContact O-N 3.34Å; Q131-T135 PolarHBondContact O-OG1 2.91Å
132L94.3Very high93.8Very high82 Ų8263.4 Ų63.443%0.42935%0.35SS..Hα-helixtrans-64.6-43.8179-67175.3000111.9L128 V129 T135 G136L128-L132 HydrophobicContact CG-CD1 4.46Å; L128-L132 WeakPolarHBondContact O-CG 3.43Å; L128-L132 PolarHBondContact O-N 3.44Å; V129-L132 PolarHBondContact O-N 2.85Å; L132-T135 PolarHBondContact O-N 3.34Å; L132-G136 PolarHBondContact O-N 3.46Å
133V95.5Very high93.7Very high89 Ų8963.1 Ų63.154%0.53935%0.347SS..Hα-helixtrans-64.1-47.7178.6172.40000111.5V129 V130 T135 G136 L137V129-V133 HydrophobicContact CG1-CG2 4.49Å; V129-V133 WeakPolarHBondContact O-CG2 3.41Å; V129-V133 PolarHBondContact O-N 2.92Å; V130-V133 PolarHBondContact O-N 3.46Å; V133-T135 VanDerWaalsContact C-N 3.28Å; V133-T135 PolarHBondContact O-N 2.65Å; V133-G136 PolarHBondContact O-N 3Å; V133-L137 HydrophobicContact CG1-CD1 4.34Å; V133-L137 WeakPolarHBondContact O-CG 3.35Å; V133-L137 PolarHBondContact O-N 3.25Å; V133-L137 VanDerWaalsContact O-N 3.12Å
134T92.1Very high93.7Very high60 Ų6059.3 Ų59.337%0.36833%0.334SS..Hα-helixtrans-63.3-36.217950.90000112V130 Q131 A138V130-T134 HydrophobicContact CG1-CG2 4.23Å; V130-T134 WeakPolarHBondContact O-CB 3.02Å; V130-T134 VanDerWaalsContact O-CG2 3.29Å; V130-T134 WeakPolarHBondContact O-CG2 3.15Å; V130-T134 PolarHBondContact O-N 3.13Å; V130-T134 PolarHBondContact O-OG1 3.38Å; Q131-T134 WeakPolarHBondContact CA-OG1 2.99Å; Q131-T134 PolarHBondContact O-OG1 2.87Å; T134-A138 WeakPolarHBondContact O-CB 3.47Å; T134-A138 PolarHBondContact O-N 3.24Å
135T91.4Very high93.6Very high8 Ų859.3 Ų59.35%0.04933%0.334CS..Hα-helixtrans-68.4-46.6177.3-58.40000111.9Q107 Q131 L132 V133 L137 A138 E139Q107-T135 VanDerWaalsContact CD-OG1 3.29Å; Q107-T135 HydrophobicContact CG-CG2 3.48Å; Q107-T135 VanDerWaalsContact CG-CG2 3.48Å; Q107-T135 WeakPolarHBondContact CG-OG1 3.2Å; Q131-T135 VanDerWaalsContact O-CB 3.25Å; Q131-T135 WeakPolarHBondContact O-CB 3.46Å; Q131-T135 PolarHBondContact O-N 3.34Å; Q131-T135 PolarHBondContact O-OG1 2.91Å; L132-T135 PolarHBondContact O-N 3.34Å; V133-T135 VanDerWaalsContact C-N 3.28Å; V133-T135 PolarHBondContact O-N 2.65Å; T135-L137 VanDerWaalsContact C-N 3.29Å; T135-L137 PolarHBondContact O-N 3.17Å; T135-A138 PolarHBondContact O-N 3.17Å; T135-A138 VanDerWaalsContact O-N 3.1Å; T135-E139 HydrophobicContact CG2-CG 4.33Å; T135-E139 WeakPolarHBondContact O-CG 3.47Å; T135-E139 PolarHBondContact O-N 3.36Å
136G92.6Very high93.4Very high28 Ų2858.5 Ų58.529%0.28933%0.328SS..Hα-helixtrans-57.9-41.9176.200000112.3L132 V133 E139 I140L132-G136 PolarHBondContact O-N 3.46Å; V133-G136 PolarHBondContact O-N 3Å; G136-E139 PolarHBondContact O-N 2.86Å; G136-I140 WeakPolarHBondContact O-CD1 3.22Å; G136-I140 VanDerWaalsContact O-CG1 3.27Å; G136-I140 WeakPolarHBondContact O-CG1 3.44Å; G136-I140 PolarHBondContact O-N 3.31Å; G136-I140 VanDerWaalsContact O-N 3.08Å
137L92.8Very high93.2Very high117 Ų11757.9 Ų57.961%0.61333%0.33SS*.Hα-helixtrans-63.6-42.5174.9-68.5174.9000112.3V133 T135 F141V133-L137 HydrophobicContact CG1-CD1 4.34Å; V133-L137 WeakPolarHBondContact O-CG 3.35Å; V133-L137 PolarHBondContact O-N 3.25Å; V133-L137 VanDerWaalsContact O-N 3.12Å; T135-L137 VanDerWaalsContact C-N 3.29Å; T135-L137 PolarHBondContact O-N 3.17Å; L137-F141 PolarHBondContact O-N 2.93Å; L137-F141 VanDerWaalsContact O-N 3.12Å
138A90.8Very high92.9Very high35 Ų3558.5 Ų58.529%0.28934%0.337SS..Hα-helixtrans-65-41.7177.300000112.1T134 T135 F141 V142T134-A138 WeakPolarHBondContact O-CB 3.47Å; T134-A138 PolarHBondContact O-N 3.24Å; T135-A138 PolarHBondContact O-N 3.17Å; T135-A138 VanDerWaalsContact O-N 3.1Å; A138-F141 WeakPolarHBondContact O-CB 3.07Å; A138-F141 PolarHBondContact O-N 3.45Å; A138-V142 VanDerWaalsContact O-CG2 3.29Å; A138-V142 WeakPolarHBondContact O-CG2 3.11Å; A138-V142 PolarHBondContact O-N 2.98Å
139E90.9Very high92.7Very high90 Ų9058.4 Ų58.442%0.42134%0.335SS..Hα-helixtrans-63.5-41.9177.7-75-177.4172.600112.6T135 G136 F141 V142 T143T135-E139 HydrophobicContact CG2-CG 4.33Å; T135-E139 WeakPolarHBondContact O-CG 3.47Å; T135-E139 PolarHBondContact O-N 3.36Å; G136-E139 PolarHBondContact O-N 2.86Å; E139-F141 VanDerWaalsContact C-N 3.32Å; E139-F141 PolarHBondContact O-N 3.36Å; E139-V142 PolarHBondContact O-N 3.27Å; E139-T143 VanDerWaalsContact O-CB 3.3Å; E139-T143 WeakPolarHBondContact O-CB 3.48Å; E139-T143 PolarHBondContact O-N 2.69Å; E139-T143 PolarHBondContact O-OG1 2.87Å
140I93.1Very high92.3Very high122 Ų12260.3 Ų60.363%0.62634%0.342SS*.Hα-helixtrans-59.4-46.3173.5-68.5165000109.9G136 T143 G144G136-I140 WeakPolarHBondContact O-CD1 3.22Å; G136-I140 VanDerWaalsContact O-CG1 3.27Å; G136-I140 WeakPolarHBondContact O-CG1 3.44Å; G136-I140 PolarHBondContact O-N 3.31Å; G136-I140 VanDerWaalsContact O-N 3.08Å; I140-T143 PolarHBondContact O-N 3.38Å; I140-G144 PolarHBondContact O-N 3Å
141F91.4Very high91.7Very high83 Ų8361 Ų6136%0.36435%0.353SS..Hα-helixtrans-62.2-46.7178.8-178.1-96.6000112.3W38 V41 F53 L137 A138 E139 G144 A145W38-F141 AromaticContact CE3-CE2 3.93Å; W38-F141 HydrophobicContact CE3-CE2 3.93Å; W38-F141 HydrophobicContact CE3-CZ 4.5Å; W38-F141 HydrophobicContact CZ3-CD2 4.49Å; W38-F141 HydrophobicContact CZ3-CE2 4.23Å; V41-F141 HydrophobicContact CB-CZ 4.48Å; V41-F141 HydrophobicContact CG1-CE1 4.19Å; V41-F141 HydrophobicContact CG1-CZ 4.28Å; V41-F141 HydrophobicContact CG2-CZ 4.34Å; F53-F141 HydrophobicContact CE1-CD1 4.24Å; F53-F141 HydrophobicContact CE1-CE1 4.1Å; L137-F141 PolarHBondContact O-N 2.93Å; L137-F141 VanDerWaalsContact O-N 3.12Å; A138-F141 WeakPolarHBondContact O-CB 3.07Å; A138-F141 PolarHBondContact O-N 3.45Å; E139-F141 VanDerWaalsContact C-N 3.32Å; E139-F141 PolarHBondContact O-N 3.36Å; F141-G144 PolarHBondContact O-N 2.9Å; F141-A145 VanDerWaalsContact O-CB 3.27Å; F141-A145 WeakPolarHBondContact O-CB 3.29Å; F141-A145 PolarHBondContact O-N 3.34Å
142V91.9Very high91Very high22 Ų2266 Ų6613%0.13337%0.372CS..Hα-helixtrans-60.1-53177.7172.50000110.1F53 F57 A138 E139 G144 A145 F146F53-V142 HydrophobicContact CD1-CG2 3.64Å; F53-V142 HydrophobicContact CD2-CG1 4.2Å; F53-V142 HydrophobicContact CE1-CG2 3.8Å; F53-V142 HydrophobicContact CE2-CG1 4.29Å; F53-V142 HydrophobicContact CG-CG1 4.34Å; F53-V142 HydrophobicContact CG-CG2 4.05Å; F53-V142 HydrophobicContact CZ-CG2 4.31Å; F57-V142 HydrophobicContact CE2-CG2 4.11Å; F57-V142 HydrophobicContact CZ-CG2 4Å; A138-V142 VanDerWaalsContact O-CG2 3.29Å; A138-V142 WeakPolarHBondContact O-CG2 3.11Å; A138-V142 PolarHBondContact O-N 2.98Å; E139-V142 PolarHBondContact O-N 3.27Å; V142-G144 VanDerWaalsContact C-N 3.32Å; V142-G144 PolarHBondContact O-N 3.4Å; V142-A145 PolarHBondContact O-N 3.1Å; V142-A145 VanDerWaalsContact O-N 3.15Å; V142-F146 HydrophobicContact CG1-CD2 3.77Å; V142-F146 HydrophobicContact CG1-CE2 3.75Å; V142-F146 VanDerWaalsContact O-CD2 3.3Å; V142-F146 WeakPolarHBondContact O-CD2 3.48Å; V142-F146 PolarHBondContact O-N 3.05Å
143T92.1Very high90.2Very high93 Ų9364 Ų6457%0.57136%0.363SS*.Hα-helixtrans-59.3-44.9-178.7-56.90000111.2E139 I140 A145 F146 L147E139-T143 VanDerWaalsContact O-CB 3.3Å; E139-T143 WeakPolarHBondContact O-CB 3.48Å; E139-T143 PolarHBondContact O-N 2.69Å; E139-T143 PolarHBondContact O-OG1 2.87Å; I140-T143 PolarHBondContact O-N 3.38Å; T143-A145 PolarHBondContact O-N 3.28Å; T143-F146 PolarHBondContact O-N 3.15Å; T143-L147 WeakPolarHBondContact O-CB 3.34Å; T143-L147 PolarHBondContact O-N 2.78Å
144G93.2Very high89.2Confident27 Ų2767.1 Ų67.128%0.27837%0.37SS..Hα-helixtrans-59.6-46.7174.900000112.5I140 F141 V142 F146 L147 A148I140-G144 PolarHBondContact O-N 3Å; F141-G144 PolarHBondContact O-N 2.9Å; V142-G144 VanDerWaalsContact C-N 3.32Å; V142-G144 PolarHBondContact O-N 3.4Å; G144-F146 VanDerWaalsContact C-N 3.32Å; G144-F146 PolarHBondContact O-N 2.83Å; G144-L147 PolarHBondContact O-N 2.75Å; G144-A148 WeakPolarHBondContact O-CB 3.47Å; G144-A148 PolarHBondContact O-N 2.9Å
145A92.1Very high88.5Confident0 Ų071 Ų710%038%0.382CS..Hα-helixtrans-67.1-30.7179.300000113.2W38 V41 K49 F53 F141 V142 T143 K149W38-A145 HydrophobicContact CZ3-CB 4.2Å; V41-A145 HydrophobicContact CG1-CB 4.01Å; K49-A145 PolarHBondContact NZ-O 2.9Å; F53-A145 HydrophobicContact CZ-CB 3.91Å; F141-A145 VanDerWaalsContact O-CB 3.27Å; F141-A145 WeakPolarHBondContact O-CB 3.29Å; F141-A145 PolarHBondContact O-N 3.34Å; V142-A145 PolarHBondContact O-N 3.1Å; V142-A145 VanDerWaalsContact O-N 3.15Å; T143-A145 PolarHBondContact O-N 3.28Å; A145-K149 WeakPolarHBondContact O-CB 3.47Å; A145-K149 PolarHBondContact O-N 2.92Å
146F92.3Very high87.9Confident55 Ų5571.4 Ų71.424%0.24138%0.382CS..Hα-helixtrans-71-52.3173-94.9-103.7000111.2W46 L50 F53 V142 T143 G144 A148 K149 L150W46-F146 HydrophobicContact CE3-CE1 4.45Å; W46-F146 AromaticContact CH2-CD1 3.87Å; W46-F146 HydrophobicContact CH2-CD1 3.87Å; W46-F146 HydrophobicContact CH2-CE1 4.19Å; W46-F146 AromaticContact CZ3-CD1 3.6Å; W46-F146 HydrophobicContact CZ3-CD1 3.6Å; W46-F146 AromaticContact CZ3-CE1 3.48Å; W46-F146 HydrophobicContact CZ3-CE1 3.48Å; W46-F146 VanDerWaalsContact CZ3-CE1 3.48Å; W46-F146 HydrophobicContact CZ3-CG 4.44Å; W46-F146 HydrophobicContact CZ3-CZ 4.24Å; L50-F146 HydrophobicContact CD2-CE1 4.28Å; L50-F146 HydrophobicContact CD2-CZ 3.79Å; F53-F146 HydrophobicContact CD2-CD2 4.18Å; F53-F146 AromaticContact CD2-CE2 3.44Å; F53-F146 HydrophobicContact CD2-CE2 3.44Å; F53-F146 VanDerWaalsContact CD2-CE2 3.44Å; F53-F146 HydrophobicContact CD2-CZ 4.32Å; F53-F146 AromaticContact CE2-CD2 3.8Å; F53-F146 HydrophobicContact CE2-CD2 3.8Å; F53-F146 AromaticContact CE2-CE2 3.52Å; F53-F146 HydrophobicContact CE2-CE2 3.52Å; V142-F146 HydrophobicContact CG1-CD2 3.77Å; V142-F146 HydrophobicContact CG1-CE2 3.75Å; V142-F146 VanDerWaalsContact O-CD2 3.3Å; V142-F146 WeakPolarHBondContact O-CD2 3.48Å; V142-F146 PolarHBondContact O-N 3.05Å; T143-F146 PolarHBondContact O-N 3.15Å; G144-F146 VanDerWaalsContact C-N 3.32Å; G144-F146 PolarHBondContact O-N 2.83Å; F146-A148 VanDerWaalsContact C-N 3.33Å; F146-A148 PolarHBondContact O-N 2.62Å; F146-K149 PolarHBondContact O-N 2.91Å; F146-K149 VanDerWaalsContact O-N 3.12Å; F146-L150 WeakPolarHBondContact O-CG 3.43Å; F146-L150 PolarHBondContact O-N 3.42Å
147L91.2Very high87.2Confident121 Ų12170.8 Ų70.863%0.63438%0.375SS*.Hα-helixtrans-60.1-44.5-179.4-174.763.3000111T143 G144 K149 L150 A151T143-L147 WeakPolarHBondContact O-CB 3.34Å; T143-L147 PolarHBondContact O-N 2.78Å; G144-L147 PolarHBondContact O-N 2.75Å; L147-K149 VanDerWaalsContact C-N 3.31Å; L147-K149 PolarHBondContact O-N 3.25Å; L147-L150 PolarHBondContact O-N 3.43Å; L147-A151 VanDerWaalsContact O-CB 3.31Å; L147-A151 WeakPolarHBondContact O-CB 3.3Å; L147-A151 PolarHBondContact O-N 3Å
148A90.7Very high86.6Confident30 Ų3070.8 Ų70.825%0.24837%0.372CS..Hα-helixtrans-59.4-39.717600000112.3W38 V42 G144 F146 R152W38-A148 HydrophobicContact CH2-CB 4.15Å; W38-A148 HydrophobicContact CZ2-CB 3.8Å; V42-A148 HydrophobicContact CG1-CB 4.32Å; V42-A148 HydrophobicContact CG2-CB 4.11Å; G144-A148 WeakPolarHBondContact O-CB 3.47Å; G144-A148 PolarHBondContact O-N 2.9Å; F146-A148 VanDerWaalsContact C-N 3.33Å; F146-A148 PolarHBondContact O-N 2.62Å; A148-R152 WeakPolarHBondContact O-CG 3.34Å
149K90.1Very high86.4Confident34 Ų3470.9 Ų70.915%0.14837%0.369CS..Hα-helixtrans-72.5-37.8177.7-169.7177.5-168.8780112.4V42 D43 M44 W46 K49 A145 F146 L147 R152V42-K149 HydrophobicContact CG1-CB 4.42Å; V42-K149 PolarHBondContact O-NZ 2.96Å; D43-K149 PolarHBondContact O-NZ 2.98Å; M44-K149 VanDerWaalsContact O-CE 3.23Å; M44-K149 WeakPolarHBondContact O-CE 3.46Å; M44-K149 PolarHBondContact O-NZ 3.41Å; W46-K149 HydrophobicContact CD2-CD 4.14Å; W46-K149 HydrophobicContact CE3-CD 4.45Å; W46-K149 HydrophobicContact CH2-CD 4.21Å; W46-K149 HydrophobicContact CZ2-CD 3.88Å; W46-K149 HydrophobicContact CZ2-CG 4.11Å; W46-K149 HydrophobicContact CZ3-CD 4.47Å; K49-K149 HydrophobicContact CD-CD 4.11Å; A145-K149 WeakPolarHBondContact O-CB 3.47Å; A145-K149 PolarHBondContact O-N 2.92Å; F146-K149 PolarHBondContact O-N 2.91Å; F146-K149 VanDerWaalsContact O-N 3.12Å; L147-K149 VanDerWaalsContact C-N 3.31Å; L147-K149 PolarHBondContact O-N 3.25Å; K149-R152 PolarHBondContact O-N 2.88Å
150L87Confident86.3Confident118 Ų11867 Ų6762%0.61835%0.35SS*.Hα-helixtrans-69.4-35.1177.7-72.4170000112.2W46 F146 L147 R152W46-L150 HydrophobicContact CH2-CD2 3.97Å; W46-L150 HydrophobicContact CH2-CG 4.03Å; W46-L150 HydrophobicContact CZ2-CD2 3.68Å; W46-L150 HydrophobicContact CZ2-CG 4.12Å; F146-L150 WeakPolarHBondContact O-CG 3.43Å; F146-L150 PolarHBondContact O-N 3.42Å; L147-L150 PolarHBondContact O-N 3.43Å; L150-R152 PolarHBondContact O-N 3.35Å
151A85.1Confident86.1Confident68 Ų6864 Ų6456%0.56233%0.333SS*.THydrogen-bonded Turntrans-69.2-15176.100000113.4L147L147-A151 VanDerWaalsContact O-CB 3.31Å; L147-A151 WeakPolarHBondContact O-CB 3.3Å; L147-A151 PolarHBondContact O-N 3Å
152R81.4Confident86.2Confident105 Ų10560.9 Ų60.940%0.39632%0.319SS..  trans-68.8130.7-178.3-79.6-178.6178.1-139.921.1111.8V42 D43 A148 K149 L150 K154V42-R152 VanDerWaalsContact CG1-NH2 3.28Å; D43-R152 VanDerWaalsContact CG-NH2 3.34Å; D43-R152 IonicContact OD1-CZ 3.66Å; D43-R152 IonicContact OD1-NH1 2.67Å; D43-R152 PolarHBondContact OD1-NH1 3.12Å; D43-R152 IonicContact OD1-NH2 2.69Å; D43-R152 PolarHBondContact OD1-NH2 3.42Å; D43-R152 IonicContact OD2-CZ 3.1Å; D43-R152 IonicContact OD2-NH1 3.62Å; D43-R152 PolarHBondContact OD2-NH1 3.32Å; D43-R152 IonicContact OD2-NH2 3.44Å; D43-R152 PolarHBondContact OD2-NH2 3.23Å; A148-R152 WeakPolarHBondContact O-CG 3.34Å; K149-R152 PolarHBondContact O-N 2.88Å; L150-R152 PolarHBondContact O-N 3.35Å; R152-K154 PolarHBondContact O-N 3.29Å
153P76.1Confident86.3Confident38 Ų3859.9 Ų59.925%0.24731%0.313CS..THydrogen-bonded Turntrans-80.817.5-174.134.7-38.9000115.1K155 R156 A157 M269 C276P153-K155 VanDerWaalsContact C-N 3.29Å; P153-K155 PolarHBondContact O-N 2.87Å; P153-R156 HydrophobicContact CB-CB 4.44Å; P153-R156 WeakPolarHBondContact O-CA 3.49Å; P153-R156 VanDerWaalsContact O-CB 3.27Å; P153-R156 WeakPolarHBondContact O-CB 3.5Å; P153-R156 PolarHBondContact O-N 3.37Å; P153-A157 PolarHBondContact O-N 3.3Å; P153-A157 VanDerWaalsContact O-N 3.17Å; P153-M269 HydrophobicContact CB-CE 3.26Å; P153-M269 HydrophobicContact CB-SD 3.96Å; P153-M269 HydrophobicContact CG-CE 4.15Å; P153-C276 HydrophobicContact CB-CB 4.23Å
154K75.6Confident86.3Confident155 Ų15560.1 Ų60.167%0.67431%0.308SS*.Hα-helixtrans-58.3-41.6-173.6-171.1174.2-1771730112.4R152 R156 A157R152-K154 PolarHBondContact O-N 3.29Å; K154-R156 VanDerWaalsContact C-N 3.27Å; K154-R156 PolarHBondContact O-N 3.09Å; K154-A157 PolarHBondContact O-N 3.36Å
155K76.8Confident86.3Confident143 Ų14360.5 Ų60.562%0.62231%0.306SS*.Hα-helixtrans-70.9-22.1176.5-69.5-52.4-166.4-178.30113.6P153 E158P153-K155 VanDerWaalsContact C-N 3.29Å; P153-K155 PolarHBondContact O-N 2.87Å; K155-E158 VanDerWaalsContact CD-OE2 3.25Å; K155-E158 WeakPolarHBondContact CD-OE2 3.37Å; K155-E158 IonicContact NZ-OE1 3.82Å; K155-E158 PolarHBondContact NZ-OE1 2.75Å; K155-E158 IonicContact NZ-OE2 3.96Å; K155-E158 PolarHBondContact NZ-OE2 2.98Å
156R79.8Confident86.4Confident16 Ų1660.5 Ų60.56%0.0631%0.306CS..Hα-helixtrans-73.2-40.1173.1-167.481.2166.798.49.3111.5P153 K154 E158 T159 N183 S187 M269P153-R156 HydrophobicContact CB-CB 4.44Å; P153-R156 WeakPolarHBondContact O-CA 3.49Å; P153-R156 VanDerWaalsContact O-CB 3.27Å; P153-R156 WeakPolarHBondContact O-CB 3.5Å; P153-R156 PolarHBondContact O-N 3.37Å; K154-R156 VanDerWaalsContact C-N 3.27Å; K154-R156 PolarHBondContact O-N 3.09Å; R156-E158 PolarHBondContact O-N 2.76Å; R156-T159 PolarHBondContact NH1-OG1 3Å; R156-T159 WeakPolarHBondContact O-CB 3.33Å; R156-T159 PolarHBondContact O-N 2.89Å; R156-T159 PolarHBondContact O-OG1 3.09Å; R156-N183 PolarHBondContact NH1-OD1 3.5Å; R156-S187 PolarHBondContact NH2-O 3.44Å; R156-S187 PolarHBondContact NH2-OG 3.24Å; R156-M269 HydrophobicContact CB-SD 3.72Å; R156-M269 HydrophobicContact CG-CG 4Å; R156-M269 HydrophobicContact CG-SD 3.47Å; R156-M269 WeakPolarHBondContact CG-SD 3.48Å
157A77.3Confident86.4Confident15 Ų1557.9 Ų57.912%0.12430%0.295CS..Hα-helixtrans-58.2-34.6177.900000112.1P153 K154 T159 I160 Q277 S278P153-A157 PolarHBondContact O-N 3.3Å; P153-A157 VanDerWaalsContact O-N 3.17Å; K154-A157 PolarHBondContact O-N 3.36Å; A157-T159 PolarHBondContact O-N 3.25Å; A157-I160 WeakPolarHBondContact O-CB 3.12Å; A157-I160 PolarHBondContact O-N 2.83Å; A157-I160 VanDerWaalsContact O-N 3.17Å; A157-Q277 WeakPolarHBondContact CB-O 3.42Å; A157-S278 PolarHBondContact O-OG 2.98Å
158E80.8Confident86.5Confident117 Ų11752.1 Ų52.155%0.54727%0.265SS..THydrogen-bonded Turntrans-64.1-18.9174-66.2173.4-166.300113.4K155 R156 I160K155-E158 VanDerWaalsContact CD-OE2 3.25Å; K155-E158 WeakPolarHBondContact CD-OE2 3.37Å; K155-E158 IonicContact NZ-OE1 3.82Å; K155-E158 PolarHBondContact NZ-OE1 2.75Å; K155-E158 IonicContact NZ-OE2 3.96Å; K155-E158 PolarHBondContact NZ-OE2 2.98Å; R156-E158 PolarHBondContact O-N 2.76Å; E158-I160 VanDerWaalsContact C-N 3.31Å
159T85.1Confident86.4Confident37 Ų3751 Ų5123%0.22726%0.255CS..THydrogen-bonded Turntrans-85.9-3.4177.265.90000113.7R156 A157 M184R156-T159 PolarHBondContact NH1-OG1 3Å; R156-T159 WeakPolarHBondContact O-CB 3.33Å; R156-T159 PolarHBondContact O-N 2.89Å; R156-T159 PolarHBondContact O-OG1 3.09Å; A157-T159 PolarHBondContact O-N 3.25Å; T159-M184 WeakPolarHBondContact O-CB 3.44Å; T159-M184 PolarHBondContact O-N 3.38Å
160I88.8Confident86.3Confident8 Ų854.9 Ų54.94%0.04127%0.269CS..EExtended strand (participates in β ladder)trans-95.1116.2175.4-57.2177.7000106.8A157 E158 V181 A182 L189 L265A157-I160 WeakPolarHBondContact O-CB 3.12Å; A157-I160 PolarHBondContact O-N 2.83Å; A157-I160 VanDerWaalsContact O-N 3.17Å; E158-I160 VanDerWaalsContact C-N 3.31Å; I160-V181 HydrophobicContact CG2-CG1 3.77Å; I160-A182 WeakPolarHBondContact CA-O 3.38Å; I160-L189 HydrophobicContact CD1-CD1 3.62Å; I160-L189 HydrophobicContact CG1-CD1 3.84Å; I160-L265 HydrophobicContact CD1-CD2 3.95Å; I160-L265 HydrophobicContact CG2-CD2 3.63Å
161K90.4Very high86.1Confident60 Ų6052 Ų5226%0.26125%0.252SS..EExtended strand (participates in β ladder)trans-102.8127.5-178.2-171.2179.2174.2-169.70109.8V181 A182 M184 F312 D313K161-V181 WeakPolarHBondContact O-CA 3.27Å; K161-A182 PolarHBondContact N-O 3.32Å; K161-A182 PolarHBondContact O-N 2.91Å; K161-M184 HydrophobicContact CB-CG 4.15Å; K161-M184 HydrophobicContact CB-SD 4.13Å; K161-M184 HydrophobicContact CD-SD 4.14Å; K161-F312 HydrophobicContact CD-CD1 4.07Å; K161-F312 HydrophobicContact CD-CE1 3.97Å; K161-F312 HydrophobicContact CG-CE1 3.9Å; K161-F312 HydrophobicContact CG-CZ 4.46Å; K161-D313 WeakPolarHBondContact CE-OD2 3.48Å; K161-D313 IonicContact NZ-OD2 2.93Å; K161-D313 PolarHBondContact NZ-OD2 3.36Å
162F93.1Very high86Confident16 Ų1655.2 Ų55.27%0.0726%0.26CS..EExtended strand (participates in β ladder)trans-91.9153.8167.9-66.8-87.8000110.5V179 R180 V181 L194 V263 L265 S278 T280F162-V179 HydrophobicContact CD1-CG1 4.36Å; F162-R180 CarbonylContact C-O 3.56Å; F162-R180 WeakPolarHBondContact CA-O 3.22Å; F162-V181 HydrophobicContact CD1-CG2 3.68Å; F162-V181 HydrophobicContact CE1-CG1 4.44Å; F162-V181 HydrophobicContact CE1-CG2 3.73Å; F162-L194 HydrophobicContact CE1-CD1 4.03Å; F162-V263 HydrophobicContact CE1-CG1 4.13Å; F162-L265 HydrophobicContact CE1-CB 4.21Å; F162-L265 HydrophobicContact CZ-CB 3.76Å; F162-S278 WeakPolarHBondContact CE2-OG 3.36Å; F162-T280 HydrophobicContact CB-CG2 3.75Å; F162-T280 HydrophobicContact CD1-CG2 3.64Å; F162-T280 HydrophobicContact CD2-CG2 3.87Å; F162-T280 HydrophobicContact CE1-CG2 4.19Å; F162-T280 HydrophobicContact CE2-CG2 4.36Å; F162-T280 HydrophobicContact CG-CG2 3.47Å; F162-T280 VanDerWaalsContact CG-CG2 3.47Å
163S93.4Very high86Confident2 Ų253.3 Ų53.31%0.01427%0.272CS..PPolyproline II helixtrans-60.8141.1168.7560000110.9S165 R180 F282S163-S165 VanDerWaalsContact C-N 3.28Å; S163-S165 VanDerWaalsContact CB-O 3.3Å; S163-S165 WeakPolarHBondContact CB-O 3.43Å; S163-S165 PolarHBondContact O-N 3.14Å; S163-S165 PolarHBondContact OG-O 3Å; S163-R180 PolarHBondContact N-O 3.5Å; S163-R180 PolarHBondContact OG-N 2.89Å; S163-F282 WeakPolarHBondContact O-CE1 3.48Å; S163-F282 WeakPolarHBondContact O-CZ 3.16Å
164Q91.9Very high86.6Confident98 Ų9857.6 Ų57.646%0.45829%0.287SS..SBendtrans-62.2-38.4177.1-72.5-63-31.400112.4K15 D313K15-Q164 WeakPolarHBondContact CE-O 3.45Å; K15-Q164 PolarHBondContact NZ-O 2.85Å; Q164-D313 PolarHBondContact N-OD1 2.95Å; Q164-D313 VanDerWaalsContact N-OD1 3.14Å
165S92.8Very high87.2Confident35 Ų3552.1 Ų52.125%0.24527%0.265CS..SBendtrans-115.8150.4176.7-55.60000110.6S163 E286 F293S163-S165 VanDerWaalsContact C-N 3.28Å; S163-S165 VanDerWaalsContact CB-O 3.3Å; S163-S165 WeakPolarHBondContact CB-O 3.43Å; S163-S165 PolarHBondContact O-N 3.14Å; S163-S165 PolarHBondContact OG-O 3Å; S165-E286 CarbonylContact C-O 3.49Å; S165-E286 WeakPolarHBondContact CA-O 3.29Å; S165-E286 VanDerWaalsContact CB-O 3.28Å; S165-E286 WeakPolarHBondContact CB-O 3.34Å; S165-F293 WeakPolarHBondContact O-CZ 3.4Å
166A93.9Very high87.9Confident0 Ų045.4 Ų45.40%024%0.236CC..EExtended strand (participates in β ladder)trans-94.5152.7163.600000108.3L177 M178 V179 F282 E286 I287 L288A166-L177 HydrophobicContact CB-CD1 3.93Å; A166-M178 WeakPolarHBondContact CA-O 3.45Å; A166-V179 HydrophobicContact CB-CG2 3.98Å; A166-F282 HydrophobicContact CB-CD1 3.85Å; A166-F282 HydrophobicContact CB-CD2 4.48Å; A166-F282 HydrophobicContact CB-CE1 4.08Å; A166-F282 HydrophobicContact CB-CG 4.09Å; A166-F282 HydrophobicContact CB-CZ 4.48Å; A166-E286 PolarHBondContact N-O 3.34Å; A166-I287 HydrophobicContact CB-CG1 4.29Å; A166-I287 CarbonylContact O-C 3.57Å; A166-I287 WeakPolarHBondContact O-CA 3.14Å; A166-L288 PolarHBondContact O-N 3.28Å
167V93.4Very high88.5Confident0 Ų044.7 Ų44.70%023%0.233CC..EExtended strand (participates in β ladder)trans-125.5146-178.1-54.70000110.9L177 M178 L288 Y291 F293 V315V167-L177 CarbonylContact O-C 3.52Å; V167-M178 HydrophobicContact CG2-CB 3.82Å; V167-M178 PolarHBondContact N-O 2.87Å; V167-M178 PolarHBondContact O-N 3.12Å; V167-L288 CarbonylContact C-O 3.58Å; V167-L288 WeakPolarHBondContact CA-O 3.41Å; V167-L288 HydrophobicContact CG1-CB 4.34Å; V167-Y291 WeakPolarHBondContact CB-O 3.29Å; V167-F293 HydrophobicContact CB-CE2 4.48Å; V167-F293 HydrophobicContact CG1-CD1 4.38Å; V167-F293 HydrophobicContact CG1-CE1 4Å; V167-F293 HydrophobicContact CG1-CE2 4.3Å; V167-F293 HydrophobicContact CG1-CZ 3.95Å; V167-F293 HydrophobicContact CG2-CD2 3.65Å; V167-F293 HydrophobicContact CG2-CE2 3.51Å; V167-F293 HydrophobicContact CG2-CG 4.28Å; V167-F293 HydrophobicContact CG2-CZ 4.02Å; V167-V315 HydrophobicContact CG1-CB 4.48Å; V167-V315 HydrophobicContact CG1-CG1 3.61Å
168I92.3Very high89.2Confident0 Ų044.9 Ų44.90%023%0.232CC..EExtended strand (participates in β ladder)trans-113.7117.3174.9-62.3171.7000107.8L175 C176 L177 L240 L249 L254 I287 L288 W289 G290I168-L175 HydrophobicContact CG2-CD1 3.81Å; I168-L175 HydrophobicContact CG2-CD2 4.17Å; I168-L175 HydrophobicContact CG2-CG 3.86Å; I168-C176 WeakPolarHBondContact CA-O 3.43Å; I168-L177 HydrophobicContact CD1-CD1 4.2Å; I168-L177 HydrophobicContact CG1-CB 4.38Å; I168-L177 HydrophobicContact CG1-CD1 3.57Å; I168-L240 HydrophobicContact CG2-CD1 4.2Å; I168-L249 HydrophobicContact CD1-CD2 3.91Å; I168-L254 HydrophobicContact CD1-CD2 4.43Å; I168-I287 HydrophobicContact CD1-CG2 3.59Å; I168-I287 HydrophobicContact CG1-CG2 3.83Å; I168-L288 PolarHBondContact N-O 3.1Å; I168-W289 HydrophobicContact CB-CE3 4.26Å; I168-W289 HydrophobicContact CD1-CE3 3.6Å; I168-W289 HydrophobicContact CD1-CZ3 3.83Å; I168-W289 HydrophobicContact CG2-CD2 4.29Å; I168-W289 HydrophobicContact CG2-CE3 4.05Å; I168-W289 HydrophobicContact CG2-CH2 4.37Å; I168-W289 HydrophobicContact CG2-CZ3 4.09Å; I168-G290 WeakPolarHBondContact O-CA 3.38Å; I168-G290 PolarHBondContact O-N 2.92Å
169C90.3Very high89.9Confident5 Ų539.3 Ų39.33%0.03421%0.206CC..EExtended strand (participates in β ladder)trans-142.4170.2173.764.20000110.8C176 M178 Y291C169-C176 PolarHBondContact N-O 3.24Å; C169-C176 VanDerWaalsContact N-O 3.14Å; C169-C176 PolarHBondContact O-N 2.88Å; C169-M178 WeakPolarHBondContact SG-CE 3.49Å; C169-Y291 WeakPolarHBondContact CB-O 3.35Å
170R87.1Confident90.2Very high117 Ų11738.3 Ų38.344%0.44220%0.198SC..EExtended strand (participates in β ladder)trans-84.1128.9172.4-83.8178.3160.3-167.7-2.5110K174 L175 D320 T322 L323R170-K174 CarbonylContact C-O 3.54Å; R170-K174 VanDerWaalsContact CA-O 3.25Å; R170-K174 WeakPolarHBondContact CA-O 3.01Å; R170-L175 HydrophobicContact CG-CD1 4.03Å; R170-D320 WeakPolarHBondContact CB-OD2 3.01Å; R170-D320 WeakPolarHBondContact CD-OD2 3.41Å; R170-T322 PolarHBondContact NH1-OG1 3.25Å; R170-T322 VanDerWaalsContact NH1-OG1 3.16Å; R170-L323 HydrophobicContact CG-CD1 4.32Å
171H83.4Confident90.3Very high57 Ų5738 Ų3826%0.26420%0.196SC..EExtended strand (participates in β ladder)trans-130.3127.1175.1-168.3-92.8000108.4G173 K174 C176 M178 D222H171-G173 PolarHBondContact O-N 3.02Å; H171-G173 VanDerWaalsContact O-N 3.15Å; H171-K174 PolarHBondContact N-O 3.47Å; H171-K174 PolarHBondContact O-N 2.89Å; H171-K174 VanDerWaalsContact O-O 3.13Å; H171-C176 HydrophobicContact CB-CB 4.39Å; H171-M178 HydrophobicContact CB-CE 3.52Å; H171-D222 IonicContact CE1-OD1 3.21Å; H171-D222 IonicContact CE1-OD2 3.54Å; H171-D222 PolarHBondContact CE1-OD2 2.9Å; H171-D222 IonicContact NE2-OD2 3.54Å
172D81.9Confident90.2Very high136 Ų13635.1 Ų35.173%0.72718%0.184SC*.THydrogen-bonded Turntrans48.240.9-174.9-60.2-33.3000113.9K174D172-K174 PolarHBondContact O-N 3.4Å
173G82.4Confident90Very high64 Ų6434.8 Ų34.866%0.6618%0.183SC*.THydrogen-bonded Turntrans76.1-3.4179.400000115.5H171H171-G173 PolarHBondContact O-N 3.02Å; H171-G173 VanDerWaalsContact O-N 3.15Å
174K87.6Confident89.5Confident128 Ų12840.1 Ų40.156%0.55721%0.209SC*.EExtended strand (participates in β ladder)trans-105.3146.7177.2-60.7-176.8-175.6178.50111R170 H171 D172 V239R170-K174 CarbonylContact C-O 3.54Å; R170-K174 VanDerWaalsContact CA-O 3.25Å; R170-K174 WeakPolarHBondContact CA-O 3.01Å; H171-K174 PolarHBondContact N-O 3.47Å; H171-K174 PolarHBondContact O-N 2.89Å; H171-K174 VanDerWaalsContact O-O 3.13Å; D172-K174 PolarHBondContact O-N 3.4Å; K174-V239 HydrophobicContact CB-CG1 4.14Å; K174-V239 HydrophobicContact CD-CG1 3.82Å
175L88.9Confident89.1Confident41 Ų4142.9 Ų42.922%0.21522%0.215CC..EExtended strand (participates in β ladder)trans-78.9123.9174.7-167.675.1000109.1I168 R170 L240 W289 L323I168-L175 HydrophobicContact CG2-CD1 3.81Å; I168-L175 HydrophobicContact CG2-CD2 4.17Å; I168-L175 HydrophobicContact CG2-CG 3.86Å; R170-L175 HydrophobicContact CG-CD1 4.03Å; L175-L240 HydrophobicContact CD2-CD1 3.65Å; L175-L240 HydrophobicContact CG-CD1 3.89Å; L175-L240 WeakPolarHBondContact O-CB 3.47Å; L175-L240 PolarHBondContact O-N 2.84Å; L175-W289 HydrophobicContact CD1-CZ2 4.43Å; L175-W289 HydrophobicContact CD2-CH2 3.57Å; L175-W289 HydrophobicContact CD2-CZ2 3.93Å; L175-W289 HydrophobicContact CD2-CZ3 4.44Å; L175-L323 HydrophobicContact CD1-CD2 4.46Å
176C91.3Very high88.3Confident2 Ų251.1 Ų51.11%0.01425%0.246CC..EExtended strand (participates in β ladder)trans-130137.9-172.2-66.30000111.4I168 C169 H171 M178 H238I168-C176 WeakPolarHBondContact CA-O 3.43Å; C169-C176 PolarHBondContact N-O 3.24Å; C169-C176 VanDerWaalsContact N-O 3.14Å; C169-C176 PolarHBondContact O-N 2.88Å; H171-C176 HydrophobicContact CB-CB 4.39Å; C176-M178 HydrophobicContact CB-CE 4.33Å; C176-H238 CarbonylContact C-O 3.54Å; C176-H238 VanDerWaalsContact CA-O 3.27Å; C176-H238 WeakPolarHBondContact CA-O 3.35Å
177L92.7Very high87.8Confident1 Ų152.6 Ų52.61%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-89.2120.6167.4175.170.7000109.2A166 V167 I168 F219 Y237 H238 L246 L261 I287A166-L177 HydrophobicContact CB-CD1 3.93Å; V167-L177 CarbonylContact O-C 3.52Å; I168-L177 HydrophobicContact CD1-CD1 4.2Å; I168-L177 HydrophobicContact CG1-CB 4.38Å; I168-L177 HydrophobicContact CG1-CD1 3.57Å; L177-F219 HydrophobicContact CD2-CZ 4.33Å; L177-Y237 CarbonylContact O-C 3.49Å; L177-Y237 VanDerWaalsContact O-CA 3.24Å; L177-Y237 WeakPolarHBondContact O-CA 3.33Å; L177-H238 HydrophobicContact CB-CB 4.41Å; L177-H238 PolarHBondContact N-O 2.78Å; L177-H238 PolarHBondContact O-N 3.48Å; L177-L246 HydrophobicContact CD2-CD1 3.96Å; L177-L261 HydrophobicContact CD2-CD2 3.47Å; L177-L261 VanDerWaalsContact CD2-CD2 3.47Å; L177-I287 HydrophobicContact CD1-CG2 3.8Å
178M92.9Very high87.3Confident18 Ų1853.9 Ų53.99%0.08926%0.263CS..EExtended strand (participates in β ladder)trans-110.7136.3-176.4-58.9-174.5179.900112.3A166 V167 C169 H171 C176 T235 F236 F293A166-M178 WeakPolarHBondContact CA-O 3.45Å; V167-M178 HydrophobicContact CG2-CB 3.82Å; V167-M178 PolarHBondContact N-O 2.87Å; V167-M178 PolarHBondContact O-N 3.12Å; C169-M178 WeakPolarHBondContact SG-CE 3.49Å; H171-M178 HydrophobicContact CB-CE 3.52Å; C176-M178 HydrophobicContact CB-CE 4.33Å; M178-T235 HydrophobicContact CB-CG2 3.84Å; M178-T235 HydrophobicContact CG-CG2 4.29Å; M178-T235 HydrophobicContact SD-CG2 4.14Å; M178-F236 CarbonylContact C-O 3.53Å; M178-F236 VanDerWaalsContact CA-O 3.29Å; M178-F236 WeakPolarHBondContact CA-O 3.34Å; M178-F293 HydrophobicContact CB-CD2 4.4Å; M178-F293 HydrophobicContact CB-CE2 4.03Å
179V93.9Very high86.8Confident0 Ų053.9 Ų53.90%026%0.263CS..EExtended strand (participates in β ladder)trans-128.4131.2173.5178.50000108.4F162 A166 V181 F219 F236 F282F162-V179 HydrophobicContact CD1-CG1 4.36Å; A166-V179 HydrophobicContact CB-CG2 3.98Å; V179-V181 HydrophobicContact CG1-CG2 4.49Å; V179-F219 HydrophobicContact CB-CE1 4.48Å; V179-F219 HydrophobicContact CG2-CE1 3.99Å; V179-F219 HydrophobicContact CG2-CZ 4.21Å; V179-F236 PolarHBondContact N-O 3.3Å; V179-F236 PolarHBondContact O-N 3.39Å; V179-F282 HydrophobicContact CG1-CE2 3.87Å; V179-F282 HydrophobicContact CG1-CZ 3.87Å; V179-F282 HydrophobicContact CG2-CE2 3.97Å; V179-F282 HydrophobicContact CG2-CZ 4.35Å
180R91.7Very high86.5Confident17 Ų1756.9 Ų56.96%0.06428%0.279CS..EExtended strand (participates in β ladder)trans-100.7137179.3-170.5-179.9-86.1173.1-12.9110.8F162 S163 P233 L234 F293 K294 F312F162-R180 CarbonylContact C-O 3.56Å; F162-R180 WeakPolarHBondContact CA-O 3.22Å; S163-R180 PolarHBondContact N-O 3.5Å; S163-R180 PolarHBondContact OG-N 2.89Å; R180-P233 HydrophobicContact CG-CB 4.34Å; R180-L234 WeakPolarHBondContact CA-O 2.94Å; R180-F293 HydrophobicContact CB-CD2 4.3Å; R180-F293 HydrophobicContact CB-CE1 4.42Å; R180-F293 HydrophobicContact CB-CE2 4Å; R180-F293 HydrophobicContact CB-CZ 4.07Å; R180-F293 VanDerWaalsContact NH2-CB 3.27Å; R180-K294 PolarHBondContact NH1-O 2.87Å; R180-K294 PolarHBondContact NH2-O 3.27Å; R180-F312 HydrophobicContact CB-CE2 4.43Å; R180-F312 HydrophobicContact CB-CZ 4.47Å; R180-F312 HydrophobicContact CG-CD2 4.31Å; R180-F312 HydrophobicContact CG-CE2 3.63Å; R180-F312 HydrophobicContact CG-CZ 4.12Å; R180-F312 PolarHBondContact NH1-O 3.13Å
181V91.4Very high86.2Confident0 Ų056.7 Ų56.70%028%0.283CS..EExtended strand (participates in β ladder)trans-130.6134.4-178.8-176.20000108.9I160 K161 F162 V179 L194 P233 L234 F236 L265I160-V181 HydrophobicContact CG2-CG1 3.77Å; K161-V181 WeakPolarHBondContact O-CA 3.27Å; F162-V181 HydrophobicContact CD1-CG2 3.68Å; F162-V181 HydrophobicContact CE1-CG1 4.44Å; F162-V181 HydrophobicContact CE1-CG2 3.73Å; V179-V181 HydrophobicContact CG1-CG2 4.49Å; V181-L194 HydrophobicContact CG2-CD1 4.24Å; V181-P233 CarbonylContact O-C 3.55Å; V181-P233 WeakPolarHBondContact O-CA 3.42Å; V181-L234 PolarHBondContact N-O 2.66Å; V181-L234 PolarHBondContact O-N 3.15Å; V181-F236 HydrophobicContact CB-CD2 4.31Å; V181-F236 HydrophobicContact CB-CE2 4.08Å; V181-F236 HydrophobicContact CG2-CD2 3.9Å; V181-F236 HydrophobicContact CG2-CE2 4.04Å; V181-L265 HydrophobicContact CG1-CD1 4.41Å; V181-L265 HydrophobicContact CG1-CD2 3.85Å
182A88.8Confident86.3Confident0 Ų054.3 Ų54.30%027%0.272CS..EExtended strand (participates in β ladder)trans-133.4145.9175.900000112.5I160 K161 P233 F309 F312I160-A182 WeakPolarHBondContact CA-O 3.38Å; K161-A182 PolarHBondContact N-O 3.32Å; K161-A182 PolarHBondContact O-N 2.91Å; A182-P233 HydrophobicContact CB-CB 4.01Å; A182-P233 HydrophobicContact CB-CG 3.99Å; A182-F309 HydrophobicContact CB-CE1 3.73Å; A182-F309 HydrophobicContact CB-CZ 4.28Å; A182-F312 HydrophobicContact CB-CD2 4.05Å; A182-F312 HydrophobicContact CB-CE2 3.38Å; A182-F312 HydrophobicContact CB-CZ 3.97Å
183N87.5Confident86.6Confident10 Ų1053.5 Ų53.55%0.05326%0.264CS..EExtended strand (participates in β ladder)trans-91.8117.8168.2177.119.3000108.4R156 R185 S187 L189 L230R156-N183 PolarHBondContact NH1-OD1 3.5Å; N183-R185 VanDerWaalsContact CG-O 3.28Å; N183-R185 PolarHBondContact ND2-O 3.33Å; N183-R185 VanDerWaalsContact ND2-O 3.09Å; N183-R185 PolarHBondContact O-N 2.91Å; N183-R185 PolarHBondContact OD1-N 2.88Å; N183-R185 PolarHBondContact OD1-O 3.12Å; N183-S187 PolarHBondContact ND2-O 2.88Å; N183-L189 HydrophobicContact CB-CD1 4.25Å; N183-L230 HydrophobicContact CB-CD2 3.68Å; N183-L230 WeakPolarHBondContact CB-O 3.27Å; N183-L230 VanDerWaalsContact N-CD2 3.34Å; N183-L230 PolarHBondContact ND2-O 2.9Å
184M83.9Confident86.9Confident113 Ų11350.8 Ų50.856%0.55723%0.234SC*.  trans-81.41.4-179.3-62.7-158.571.700113.7T159 K161 F309T159-M184 WeakPolarHBondContact O-CB 3.44Å; T159-M184 PolarHBondContact O-N 3.38Å; K161-M184 HydrophobicContact CB-CG 4.15Å; K161-M184 HydrophobicContact CB-SD 4.13Å; K161-M184 HydrophobicContact CD-SD 4.14Å; M184-F309 HydrophobicContact CG-CE1 4.37Å
185R83.2Confident87.1Confident156 Ų15647.2 Ų47.259%0.58922%0.221SC*.SBendtrans-121.4153.6-177.4-163.4173.1-179.7-176.8-1.7110.6N183 S187N183-R185 VanDerWaalsContact CG-O 3.28Å; N183-R185 PolarHBondContact ND2-O 3.33Å; N183-R185 VanDerWaalsContact ND2-O 3.09Å; N183-R185 PolarHBondContact O-N 2.91Å; N183-R185 PolarHBondContact OD1-N 2.88Å; N183-R185 PolarHBondContact OD1-O 3.12Å; R185-S187 VanDerWaalsContact C-N 3.33Å; R185-S187 WeakPolarHBondContact CD-OG 3.48Å; R185-S187 WeakPolarHBondContact CG-OG 3.27Å; R185-S187 PolarHBondContact O-N 2.88Å
186K76.9Confident87.3Confident208 Ų20845.2 Ų45.290%0.90421%0.211SC*.SBendtrans-67.3-28.5177.8-61.8-173.4178.6-177.60114.5
187S82.8Confident87.5Confident32 Ų3249.2 Ų49.222%0.22423%0.228CC..SBendtrans-65.5138.8178.447.70000110.4R156 N183 R185R156-S187 PolarHBondContact NH2-O 3.44Å; R156-S187 PolarHBondContact NH2-OG 3.24Å; N183-S187 PolarHBondContact ND2-O 2.88Å; R185-S187 VanDerWaalsContact C-N 3.33Å; R185-S187 WeakPolarHBondContact CD-OG 3.48Å; R185-S187 WeakPolarHBondContact CG-OG 3.27Å; R185-S187 PolarHBondContact O-N 2.88Å
188L81.7Confident87.4Confident26 Ų2649.3 Ų49.314%0.13623%0.228CC..  trans-79.2154.2-170.9-58.8166.9000112F229 I231 E270L188-F229 HydrophobicContact CD1-CE2 3.62Å; L188-F229 HydrophobicContact CD1-CZ 3.44Å; L188-F229 VanDerWaalsContact CD1-CZ 3.44Å; L188-F229 HydrophobicContact CD2-CE1 4.05Å; L188-F229 HydrophobicContact CD2-CE2 3.89Å; L188-F229 HydrophobicContact CD2-CZ 3.57Å; L188-F229 HydrophobicContact CG-CE2 4.21Å; L188-F229 HydrophobicContact CG-CZ 4.11Å; L188-I231 HydrophobicContact CD2-CD1 3.6Å; L188-I231 HydrophobicContact CD2-CG1 3.18Å; L188-E270 HydrophobicContact CB-CB 4.25Å; L188-E270 WeakPolarHBondContact CB-OE2 3.47Å; L188-E270 WeakPolarHBondContact CD1-OE2 3.4Å; L188-E270 PolarHBondContact O-N 3.4Å
189L83.1Confident87.4Confident0 Ų048.9 Ų48.90%023%0.226CC..EExtended strand (participates in β ladder)trans-117.9128168.3-64.7176.1000106.8I160 N183 L230 A267 M269I160-L189 HydrophobicContact CD1-CD1 3.62Å; I160-L189 HydrophobicContact CG1-CD1 3.84Å; N183-L189 HydrophobicContact CB-CD1 4.25Å; L189-L230 HydrophobicContact CB-CB 4.36Å; L189-A267 HydrophobicContact CB-CB 4.17Å; L189-A267 HydrophobicContact CD1-CB 4.44Å; L189-A267 HydrophobicContact CD2-CB 4.45Å; L189-M269 HydrophobicContact CD2-CG 4.01Å
190I83Confident87.1Confident69 Ų6949.9 Ų49.935%0.35423%0.233SC..EExtended strand (participates in β ladder)trans-111155.6-176.3-48.1176.8000107.5C192 T268 E270I190-C192 VanDerWaalsContact C-N 3.29Å; I190-C192 PolarHBondContact O-N 3Å; I190-T268 PolarHBondContact N-O 3.08Å; I190-T268 PolarHBondContact O-N 2.93Å; I190-E270 HydrophobicContact CD1-CB 3.88Å; I190-E270 HydrophobicContact CD1-CG 4.09Å; I190-E270 HydrophobicContact CG1-CB 4.31Å
191Q82Confident86.9Confident113 Ų11352.7 Ų52.753%0.52825%0.253SS..EExtended strand (participates in β ladder)trans52.945.4177.5-70.2169.9-28.500112.4Q193 C227 T268Q191-Q193 PolarHBondContact O-N 3.13Å; Q191-C227 VanDerWaalsContact CG-SG 3.51Å; Q191-T268 PolarHBondContact OE1-OG1 2.86Å
192C84.5Confident86.7Confident6 Ų656 Ų564%0.04127%0.271CS..EExtended strand (participates in β ladder)trans-75116.8179.1-45.80000109.4I190 P228 L230 L265 N266 A267I190-C192 VanDerWaalsContact C-N 3.29Å; I190-C192 PolarHBondContact O-N 3Å; C192-P228 HydrophobicContact CB-CG 3.77Å; C192-P228 WeakPolarHBondContact O-CD 3.06Å; C192-P228 WeakPolarHBondContact O-CG 3.23Å; C192-L230 HydrophobicContact CB-CD1 3.76Å; C192-L230 VanDerWaalsContact SG-CD1 3.56Å; C192-L265 HydrophobicContact CB-CD1 4.17Å; C192-N266 CarbonylContact C-O 3.57Å; C192-N266 VanDerWaalsContact CA-O 3.29Å; C192-N266 WeakPolarHBondContact CA-O 3.43Å; C192-A267 HydrophobicContact CB-CB 4.2Å
193Q87.6Confident86.6Confident120 Ų12060 Ų6056%0.56130%0.295SS*.EExtended strand (participates in β ladder)trans-117.9126.5176-170.8-178.71100109Q191 I195 N266Q191-Q193 PolarHBondContact O-N 3.13Å; Q193-I195 HydrophobicContact CG-CG1 4.17Å; Q193-N266 PolarHBondContact N-O 3.47Å; Q193-N266 PolarHBondContact O-N 3.29Å
194L90.4Very high86.5Confident6 Ų661.5 Ų61.53%0.03131%0.305CS..EExtended strand (participates in β ladder)trans-98.5123.4175-163.274.9000109.4F162 V181 F219 F236 V263 L265F162-L194 HydrophobicContact CE1-CD1 4.03Å; V181-L194 HydrophobicContact CG2-CD1 4.24Å; L194-F219 HydrophobicContact CB-CB 4.01Å; L194-F219 HydrophobicContact CD2-CB 3.88Å; L194-F219 HydrophobicContact CD2-CD1 3.88Å; L194-F219 HydrophobicContact CD2-CD2 4.09Å; L194-F219 HydrophobicContact CD2-CE1 4.44Å; L194-F219 HydrophobicContact CD2-CG 3.68Å; L194-F219 HydrophobicContact CG-CB 4.22Å; L194-F219 HydrophobicContact CG-CD2 4.34Å; L194-F219 HydrophobicContact CG-CG 4.25Å; L194-F236 HydrophobicContact CB-CD1 3.7Å; L194-F236 HydrophobicContact CB-CD2 4.34Å; L194-F236 HydrophobicContact CB-CE1 3.9Å; L194-F236 HydrophobicContact CB-CG 3.94Å; L194-F236 HydrophobicContact CB-CZ 4.31Å; L194-F236 HydrophobicContact CD2-CB 3.35Å; L194-F236 HydrophobicContact CD2-CD1 4.12Å; L194-F236 HydrophobicContact CD2-CD2 3.81Å; L194-F236 HydrophobicContact CD2-CG 3.49Å; L194-F236 VanDerWaalsContact CD2-CG 3.49Å; L194-F236 HydrophobicContact CG-CG 4.29Å; L194-V263 HydrophobicContact CD1-CG1 3.43Å; L194-V263 VanDerWaalsContact CD1-CG1 3.43Å; L194-V263 HydrophobicContact CD2-CG1 3.83Å; L194-V263 HydrophobicContact CG-CG1 3.71Å; L194-L265 HydrophobicContact CB-CD1 4.33Å; L194-L265 HydrophobicContact CD1-CB 3.94Å; L194-L265 HydrophobicContact CD1-CD1 3.74Å; L194-L265 HydrophobicContact CD1-CG 4.49Å
195I91.4Very high86.5Confident53 Ų5365.5 Ų65.527%0.27232%0.322SS..EExtended strand (participates in β ladder)trans-120125.3179.5-57.8174.4000108.2Q193 T264Q193-I195 HydrophobicContact CG-CG1 4.17Å; I195-T264 PolarHBondContact N-O 2.87Å; I195-T264 PolarHBondContact O-N 3.4Å
196G93.6Very high86.8Confident0 Ų065.8 Ų65.80%033%0.33CS..EExtended strand (participates in β ladder)trans-98.3147.2171.900000112.2V217 L262G196-V217 VanDerWaalsContact CA-O 3.23Å; G196-V217 WeakPolarHBondContact CA-O 3.31Å; G196-V217 PolarHBondContact N-O 3.42Å; G196-V217 PolarHBondContact O-N 3.46Å; G196-L262 CarbonylContact C-O 3.54Å; G196-L262 WeakPolarHBondContact CA-O 3.44Å
197K93.7Very high87.1Confident86 Ų8658.1 Ų58.137%0.37431%0.31SS..EExtended strand (participates in β ladder)trans-133.2120.4167-70-171.7169.6-165.40109.2Q214 T215 L262K197-Q214 VanDerWaalsContact NZ-OE1 3.12Å; K197-T215 CarbonylContact C-O 3.55Å; K197-T215 WeakPolarHBondContact CA-O 3.28Å; K197-L262 HydrophobicContact CB-CB 4.33Å; K197-L262 PolarHBondContact N-O 3.27Å; K197-L262 PolarHBondContact O-N 2.94Å
198L92.1Very high87.4Confident2 Ų262.7 Ų62.71%0.0133%0.328CS..EExtended strand (participates in β ladder)trans-82.2120.6171.3-168.670.3000108.8Q214 T215 V217 P245 L246 F259 L261L198-Q214 WeakPolarHBondContact O-CA 3.21Å; L198-T215 PolarHBondContact N-O 2.98Å; L198-T215 PolarHBondContact O-N 2.92Å; L198-V217 HydrophobicContact CB-CG2 4.06Å; L198-P245 HydrophobicContact CB-CG 4.46Å; L198-P245 HydrophobicContact CD2-CB 3.82Å; L198-P245 HydrophobicContact CD2-CG 4.19Å; L198-L246 HydrophobicContact CD1-CD2 3.8Å; L198-L246 HydrophobicContact CD2-CD2 3.98Å; L198-L246 HydrophobicContact CD2-CG 4.46Å; L198-F259 HydrophobicContact CD1-CB 4.09Å; L198-F259 HydrophobicContact CD1-CD2 3.34Å; L198-F259 HydrophobicContact CD1-CE2 3.96Å; L198-F259 HydrophobicContact CD1-CG 3.94Å; L198-L261 HydrophobicContact CD1-CD1 4.4Å
199L91.6Very high87.6Confident10 Ų1069.6 Ų69.65%0.05236%0.357CS..EExtended strand (participates in β ladder)trans-102.6113.4175.4-51178.8000107.3I12 I212 H213 Q214 F259 E260 L262I12-L199 HydrophobicContact CB-CD1 4.25Å; I12-L199 HydrophobicContact CD1-CB 4.3Å; I12-L199 HydrophobicContact CD1-CD1 3.64Å; I12-L199 HydrophobicContact CG2-CD1 4.37Å; L199-I212 HydrophobicContact CB-CG2 4.2Å; L199-I212 HydrophobicContact CD2-CG2 4.08Å; L199-H213 WeakPolarHBondContact CA-O 3.43Å; L199-Q214 HydrophobicContact CD2-CB 4.18Å; L199-Q214 HydrophobicContact CD2-CG 3.6Å; L199-F259 CarbonylContact O-C 3.58Å; L199-F259 WeakPolarHBondContact O-CA 3.4Å; L199-E260 HydrophobicContact CB-CB 4.28Å; L199-E260 WeakPolarHBondContact CB-O 3.47Å; L199-E260 PolarHBondContact N-O 3.19Å; L199-E260 PolarHBondContact O-N 2.78Å; L199-L262 HydrophobicContact CD1-CB 4.22Å
200S88.9Confident87.7Confident21 Ų2172 Ų7215%0.14737%0.371CS..EExtended strand (participates in β ladder)trans-145.6150.7179.159.80000111.4H213S200-H213 PolarHBondContact N-O 3.08Å; S200-H213 VanDerWaalsContact N-O 3.08Å; S200-H213 WeakPolarHBondContact O-CA 3.23Å; S200-H213 WeakPolarHBondContact O-CB 3.25Å; S200-H213 PolarHBondContact O-N 3.38Å
201P87.1Confident87.6Confident75 Ų7576 Ų7649%0.48739%0.393SS..EExtended strand (participates in β ladder)trans-67.5133.3171.228.5-32.7000109.2T210P201-T210 WeakPolarHBondContact CA-O 3.47Å
202N86.1Confident87.8Confident69 Ų6974.4 Ų74.437%0.36939%0.387SS..EExtended strand (participates in β ladder)trans-131.9146177.2-167.323.7000110.4T210 H213N202-T210 PolarHBondContact N-O 3.36Å; N202-T210 PolarHBondContact O-N 2.93Å; N202-H213 HydrophobicContact CB-CB 3.64Å
203V86.5Confident88Confident84 Ų8477.7 Ų77.751%0.50940%0.402SS..EExtended strand (participates in β ladder)trans-117.9119.7172.2-173.10000106.8E208 K209V203-E208 WeakPolarHBondContact CA-O 3.21Å; V203-K209 HydrophobicContact CG1-CG 3.97Å; V203-K209 HydrophobicContact CG2-CG 3.94Å
204T86.8Confident88.1Confident42 Ų4277.2 Ų77.226%0.25840%0.4SS..  trans-72.9165.9179.576.80000111E206 G207 E208T204-E206 WeakPolarHBondContact CB-OE2 3.27Å; T204-E206 PolarHBondContact O-N 3Å; T204-E206 PolarHBondContact OG1-N 3.01Å; T204-E206 PolarHBondContact OG1-OE2 3.43Å; T204-G207 WeakPolarHBondContact O-CA 3.36Å; T204-G207 PolarHBondContact O-N 3.46Å; T204-E208 HydrophobicContact CG2-CB 4.15Å; T204-E208 PolarHBondContact N-O 3.46Å; T204-E208 WeakPolarHBondContact OG1-CB 3.42Å; T204-E208 PolarHBondContact OG1-N 2.91Å
205E83.8Confident88.1Confident198 Ų19879.2 Ų79.293%0.92541%0.412SS*.THydrogen-bonded Turntrans-63.1-27.1178.3-62.6-170.2166.800112G207E205-G207 PolarHBondContact O-N 3.2Å
206E88.8Confident88.2Confident162 Ų16279.8 Ų79.876%0.75743%0.425SS*.THydrogen-bonded Turntrans-77.3-2.8174.2-52.177.3-170.600113T204T204-E206 WeakPolarHBondContact CB-OE2 3.27Å; T204-E206 PolarHBondContact O-N 3Å; T204-E206 PolarHBondContact OG1-N 3.01Å; T204-E206 PolarHBondContact OG1-OE2 3.43Å
207G84.7Confident88.1Confident46 Ų4679.8 Ų79.847%0.47443%0.425SS..  trans85.69.2178.400000115T204 E205 K209T204-G207 WeakPolarHBondContact O-CA 3.36Å; T204-G207 PolarHBondContact O-N 3.46Å; E205-G207 PolarHBondContact O-N 3.2Å; G207-K209 PolarHBondContact O-N 3.48Å
208E87.5Confident87.8Confident128 Ų12880.1 Ų80.160%0.59843%0.43SS*.  trans-70.4120.3174.8-170-178.6178.300109.9V203 T204V203-E208 WeakPolarHBondContact CA-O 3.21Å; T204-E208 HydrophobicContact CG2-CB 4.15Å; T204-E208 PolarHBondContact N-O 3.46Å; T204-E208 WeakPolarHBondContact OG1-CB 3.42Å; T204-E208 PolarHBondContact OG1-N 2.91Å
209K86.3Confident87.7Confident171 Ų17180.9 Ų80.974%0.74343%0.434SS*.EExtended strand (participates in β ladder)trans-96.9108.3179.6-63.8-175.1178.3175.80110.1V203 G207V203-K209 HydrophobicContact CG1-CG 3.97Å; V203-K209 HydrophobicContact CG2-CG 3.94Å; G207-K209 PolarHBondContact O-N 3.48Å
210T84.8Confident87.4Confident50 Ų5086.2 Ų86.231%0.30745%0.454SS..EExtended strand (participates in β ladder)trans-103.3120.8176-58.50000109.8P201 N202 I212P201-T210 WeakPolarHBondContact CA-O 3.47Å; N202-T210 PolarHBondContact N-O 3.36Å; N202-T210 PolarHBondContact O-N 2.93Å; T210-I212 VanDerWaalsContact C-N 3.27Å; T210-I212 WeakPolarHBondContact CG2-O 3.28Å; T210-I212 PolarHBondContact O-N 2.89Å
211L81.8Confident86.9Confident154 Ų15487.3 Ų87.381%0.80646%0.457SS*.EExtended strand (participates in β ladder)trans-64.2-32.6-179.8-68.5174000112.7
212I85.3Confident85.9Confident80 Ų8087 Ų8741%0.4145%0.451SS..EExtended strand (participates in β ladder)trans-135.993-178-56.1166.9000108.6I12 L199 T210I12-I212 HydrophobicContact CD1-CD1 3.54Å; I12-I212 HydrophobicContact CD1-CG1 3.92Å; I12-I212 HydrophobicContact CD1-CG2 4.02Å; I12-I212 HydrophobicContact CG1-CD1 4.28Å; L199-I212 HydrophobicContact CB-CG2 4.2Å; L199-I212 HydrophobicContact CD2-CG2 4.08Å; T210-I212 VanDerWaalsContact C-N 3.27Å; T210-I212 WeakPolarHBondContact CG2-O 3.28Å; T210-I212 PolarHBondContact O-N 2.89Å
213H89Confident84.4Confident75 Ų7589.5 Ų89.535%0.34747%0.474SS..EExtended strand (participates in β ladder)trans-88.8132.8166.3-174.372.2000109.2L199 S200 N202 T215L199-H213 WeakPolarHBondContact CA-O 3.43Å; S200-H213 PolarHBondContact N-O 3.08Å; S200-H213 VanDerWaalsContact N-O 3.08Å; S200-H213 WeakPolarHBondContact O-CA 3.23Å; S200-H213 WeakPolarHBondContact O-CB 3.25Å; S200-H213 PolarHBondContact O-N 3.38Å; N202-H213 HydrophobicContact CB-CB 3.64Å; H213-T215 PolarHBondContact CD2-OG1 3.4Å; H213-T215 VanDerWaalsContact CD2-OG1 3.29Å; H213-T215 PolarHBondContact NE2-OG1 3.07Å
214Q90.6Very high82.8Confident110 Ų11089 Ų8951%0.51447%0.474SS..EExtended strand (participates in β ladder)trans-105.1118.9-180-50.5-168.34.800109.8K197 L198 L199K197-Q214 VanDerWaalsContact NZ-OE1 3.12Å; L198-Q214 WeakPolarHBondContact O-CA 3.21Å; L199-Q214 HydrophobicContact CD2-CB 4.18Å; L199-Q214 HydrophobicContact CD2-CG 3.6Å
215T90.4Very high81Confident47 Ų4790.8 Ų90.829%0.28850%0.501SS..EExtended strand (participates in β ladder)trans-116.6135173.9-44.10000109.7K197 L198 H213 P245K197-T215 CarbonylContact C-O 3.55Å; K197-T215 WeakPolarHBondContact CA-O 3.28Å; L198-T215 PolarHBondContact N-O 2.98Å; L198-T215 PolarHBondContact O-N 2.92Å; H213-T215 PolarHBondContact CD2-OG1 3.4Å; H213-T215 VanDerWaalsContact CD2-OG1 3.29Å; H213-T215 PolarHBondContact NE2-OG1 3.07Å; T215-P245 HydrophobicContact CG2-CB 3.82Å; T215-P245 HydrophobicContact CG2-CG 4.14Å
216A92.4Very high79.5Confident65 Ų6589.8 Ų89.854%0.53750%0.496SS..EExtended strand (participates in β ladder)trans-68.2144.418000000111.3
217V91.4Very high77.8Confident1 Ų184.6 Ų84.61%0.00648%0.477CS..EExtended strand (participates in β ladder)trans-131.6111.8174.4178.50000107.6G196 L198 F219 H238 P245 L261G196-V217 VanDerWaalsContact CA-O 3.23Å; G196-V217 WeakPolarHBondContact CA-O 3.31Å; G196-V217 PolarHBondContact N-O 3.42Å; G196-V217 PolarHBondContact O-N 3.46Å; L198-V217 HydrophobicContact CB-CG2 4.06Å; V217-F219 HydrophobicContact CB-CE2 4.46Å; V217-F219 HydrophobicContact CG1-CD2 4.39Å; V217-F219 HydrophobicContact CG1-CE2 3.86Å; V217-F219 HydrophobicContact CG1-CZ 4.3Å; V217-H238 HydrophobicContact CG1-CB 4.13Å; V217-H238 VanDerWaalsContact CG1-CG 3.49Å; V217-P245 HydrophobicContact CG2-CG 3.56Å; V217-L261 HydrophobicContact CB-CD1 4.38Å; V217-L261 HydrophobicContact CG2-CD1 4.11Å
218D88.8Confident76.6Confident92 Ų9283 Ų8349%0.49246%0.459SS..EExtended strand (participates in β ladder)trans-85.2130.1-177.1-66-33.8000111.3Y220 H238D218-Y220 HydrophobicContact CB-CE2 4.19Å; D218-H238 PolarHBondContact O-ND1 3.43Å
219F89.1Confident75.3Confident18 Ų1882.8 Ų82.88%0.07946%0.456CS..  trans-108.4134.3177.4-78.6-89.6000110.2L177 V179 L194 V217 F236 H238 L261 V263L177-F219 HydrophobicContact CD2-CZ 4.33Å; V179-F219 HydrophobicContact CB-CE1 4.48Å; V179-F219 HydrophobicContact CG2-CE1 3.99Å; V179-F219 HydrophobicContact CG2-CZ 4.21Å; L194-F219 HydrophobicContact CB-CB 4.01Å; L194-F219 HydrophobicContact CD2-CB 3.88Å; L194-F219 HydrophobicContact CD2-CD1 3.88Å; L194-F219 HydrophobicContact CD2-CD2 4.09Å; L194-F219 HydrophobicContact CD2-CE1 4.44Å; L194-F219 HydrophobicContact CD2-CG 3.68Å; L194-F219 HydrophobicContact CG-CB 4.22Å; L194-F219 HydrophobicContact CG-CD2 4.34Å; L194-F219 HydrophobicContact CG-CG 4.25Å; V217-F219 HydrophobicContact CB-CE2 4.46Å; V217-F219 HydrophobicContact CG1-CD2 4.39Å; V217-F219 HydrophobicContact CG1-CE2 3.86Å; V217-F219 HydrophobicContact CG1-CZ 4.3Å; F219-F236 HydrophobicContact CB-CB 4.24Å; F219-F236 HydrophobicContact CD1-CB 4.1Å; F219-H238 HydrophobicContact CD1-CB 3.86Å; F219-H238 HydrophobicContact CE1-CB 3.77Å; F219-H238 HydrophobicContact CG-CB 4.36Å; F219-H238 HydrophobicContact CZ-CB 4.2Å; F219-L261 HydrophobicContact CZ-CD2 4.36Å; F219-V263 HydrophobicContact CE2-CG2 4.29Å; F219-V263 HydrophobicContact CZ-CG2 4.31Å
220Y84.8Confident74Confident123 Ų12374.7 Ų74.748%0.48242%0.421SS..BIsolated β-bridgetrans-113.4163.6178.7-52.6-77000110.4D218 F236 Y237D218-Y220 HydrophobicContact CB-CE2 4.19Å; Y220-F236 WeakPolarHBondContact O-CA 3.48Å; Y220-Y237 PolarHBondContact N-O 2.99Å; Y220-Y237 PolarHBondContact O-N 3.39Å
221M79.4Confident73.1Confident43 Ų4376.8 Ų76.821%0.21243%0.429CS..  trans-129.5143.7173.5-174-174.868.500108.4S223 C224 P228 L234 F236M221-S223 PolarHBondContact O-N 3.13Å; M221-C224 HydrophobicContact CE-CB 3.85Å; M221-P228 HydrophobicContact CE-CB 3.57Å; M221-P228 HydrophobicContact CE-CG 4.45Å; M221-P228 HydrophobicContact SD-CB 3.66Å; M221-L234 HydrophobicContact SD-CB 4.44Å; M221-L234 HydrophobicContact SD-CD1 3.82Å; M221-L234 HydrophobicContact SD-CD2 4.15Å; M221-L234 HydrophobicContact SD-CG 4.36Å; M221-F236 HydrophobicContact CB-CD1 4.35Å; M221-F236 HydrophobicContact CB-CE1 4.43Å
222D65.5Low72.7Confident68 Ų6872.9 Ų72.936%0.36441%0.409SS..THydrogen-bonded Turntrans-63.8111.3177.2-69.9-41.1000109H171 Y237H171-D222 IonicContact CE1-OD1 3.21Å; H171-D222 IonicContact CE1-OD2 3.54Å; H171-D222 PolarHBondContact CE1-OD2 2.9Å; H171-D222 IonicContact NE2-OD2 3.54Å; D222-Y237 HydrophobicContact CB-CE1 4.22Å; D222-Y237 WeakPolarHBondContact OD1-CE1 3.45Å; D222-Y237 PolarHBondContact OD1-OH 2.99Å; D222-Y237 WeakPolarHBondContact OD2-CE1 3.39Å
223S54.6Low72.5Confident122 Ų12270 Ų7085%0.85340%0.395SS*.THydrogen-bonded Turntrans64.861.8164.4-46.70000116.5M221M221-S223 PolarHBondContact O-N 3.13Å
224C52.5Low72.3Confident74 Ų7467.8 Ų67.850%0.539%0.386SS..  trans-157.4120.7142.6-161.70000110M221 E226M221-C224 HydrophobicContact CE-CB 3.85Å; C224-E226 VanDerWaalsContact C-N 3.28Å; C224-E226 PolarHBondContact O-N 2.94Å; C224-E226 VanDerWaalsContact O-N 3.17Å
225G50.6Low72.2Confident80 Ų8064.6 Ų64.683%0.82537%0.374SS*.SBendtrans-56.7-32.1-170.200000114.9
226E51.6Low72.2Confident176 Ų17662.7 Ų62.782%0.82236%0.361SS*.SBendtrans-148.2-8.8-171.8-67.3-166.615800116.9C224C224-E226 VanDerWaalsContact C-N 3.28Å; C224-E226 PolarHBondContact O-N 2.94Å; C224-E226 VanDerWaalsContact O-N 3.17Å
227C52.4Low72.2Confident53 Ų5361.2 Ų61.236%0.35834%0.342SS..  trans-153.287.9-174.9-82.60000113.4Q191 F229Q191-C227 VanDerWaalsContact CG-SG 3.51Å; C227-F229 PolarHBondContact O-N 3.15Å
228P59.5Low72.2Confident14 Ų1461.7 Ų61.79%0.09134%0.344CS..  trans-56.1127.9166.420-32.3000112.2C192 M221 L230 L234 F236C192-P228 HydrophobicContact CB-CG 3.77Å; C192-P228 WeakPolarHBondContact O-CD 3.06Å; C192-P228 WeakPolarHBondContact O-CG 3.23Å; M221-P228 HydrophobicContact CE-CB 3.57Å; M221-P228 HydrophobicContact CE-CG 4.45Å; M221-P228 HydrophobicContact SD-CB 3.66Å; P228-L230 PolarHBondContact O-N 2.72Å; P228-L234 HydrophobicContact CB-CD1 3.49Å; P228-L234 VanDerWaalsContact CB-CD1 3.49Å; P228-F236 HydrophobicContact CG-CZ 4.49Å
229F60Low72.3Confident123 Ų12358.4 Ų58.454%0.53933%0.328SS..  trans-87.399172.6-161.8-121.1000109.9L188 C227 I231L188-F229 HydrophobicContact CD1-CE2 3.62Å; L188-F229 HydrophobicContact CD1-CZ 3.44Å; L188-F229 VanDerWaalsContact CD1-CZ 3.44Å; L188-F229 HydrophobicContact CD2-CE1 4.05Å; L188-F229 HydrophobicContact CD2-CE2 3.89Å; L188-F229 HydrophobicContact CD2-CZ 3.57Å; L188-F229 HydrophobicContact CG-CE2 4.21Å; L188-F229 HydrophobicContact CG-CZ 4.11Å; C227-F229 PolarHBondContact O-N 3.15Å; F229-I231 HydrophobicContact CD1-CB 4.36Å; F229-I231 HydrophobicContact CD1-CD1 3.65Å; F229-I231 HydrophobicContact CD1-CG1 3.62Å; F229-I231 HydrophobicContact CE1-CD1 3.02Å; F229-I231 HydrophobicContact CE1-CG1 3.45Å; F229-I231 VanDerWaalsContact CE1-CG1 3.45Å; F229-I231 HydrophobicContact CG-CG1 4.5Å; F229-I231 HydrophobicContact CZ-CD1 3.77Å; F229-I231 HydrophobicContact CZ-CG1 4.13Å; F229-I231 PolarHBondContact O-N 3.13Å
230L60.5Low72.2Confident0 Ų059 Ų590%033%0.331CS..THydrogen-bonded Turntrans-84.255.5-171-132.2147000112.5N183 L189 C192 P228 L234 L265N183-L230 HydrophobicContact CB-CD2 3.68Å; N183-L230 WeakPolarHBondContact CB-O 3.27Å; N183-L230 VanDerWaalsContact N-CD2 3.34Å; N183-L230 PolarHBondContact ND2-O 2.9Å; L189-L230 HydrophobicContact CB-CB 4.36Å; C192-L230 HydrophobicContact CB-CD1 3.76Å; C192-L230 VanDerWaalsContact SG-CD1 3.56Å; P228-L230 PolarHBondContact O-N 2.72Å; L230-L234 HydrophobicContact CB-CD1 4.23Å; L230-L234 HydrophobicContact CD1-CD1 3.99Å; L230-L234 HydrophobicContact CG-CD1 3.66Å; L230-L234 HydrophobicContact CG-CG 4.1Å; L230-L265 HydrophobicContact CD1-CD2 4.46Å
231I65.4Low72.3Confident95 Ų9556.6 Ų56.649%0.48733%0.327SS..THydrogen-bonded Turntrans-78.5-37.7165.4-70.2-168.4000110.6L188 F229L188-I231 HydrophobicContact CD2-CD1 3.6Å; L188-I231 HydrophobicContact CD2-CG1 3.18Å; F229-I231 HydrophobicContact CD1-CB 4.36Å; F229-I231 HydrophobicContact CD1-CD1 3.65Å; F229-I231 HydrophobicContact CD1-CG1 3.62Å; F229-I231 HydrophobicContact CE1-CD1 3.02Å; F229-I231 HydrophobicContact CE1-CG1 3.45Å; F229-I231 VanDerWaalsContact CE1-CG1 3.45Å; F229-I231 HydrophobicContact CG-CG1 4.5Å; F229-I231 HydrophobicContact CZ-CD1 3.77Å; F229-I231 HydrophobicContact CZ-CG1 4.13Å; F229-I231 PolarHBondContact O-N 3.13Å
232L72.4Confident72.5Confident72 Ų7263.8 Ų63.838%0.37736%0.36SS..SBendtrans-109.8157.4-174.1-61174.1000109.8L234 L297L232-L234 PolarHBondContact O-N 2.97Å; L232-L234 VanDerWaalsContact O-N 3.11Å; L232-L297 HydrophobicContact CB-CD1 4.36Å; L232-L297 HydrophobicContact CD1-CD1 3.76Å; L232-L297 HydrophobicContact CD1-CD2 4.24Å; L232-L297 HydrophobicContact CD2-CD1 4.4Å; L232-L297 HydrophobicContact CD2-CD2 3.46Å; L232-L297 VanDerWaalsContact CD2-CD2 3.46Å; L232-L297 HydrophobicContact CD2-CG 4.49Å; L232-L297 HydrophobicContact CG-CD1 4.37Å; L232-L297 HydrophobicContact CG-CD2 4.31Å
233P81.8Confident73.3Confident18 Ų1865.3 Ų65.312%0.11738%0.376CS..  trans-55.2116.7168.3-25.135.5000110.2R180 V181 A182 V296 F312R180-P233 HydrophobicContact CG-CB 4.34Å; V181-P233 CarbonylContact O-C 3.55Å; V181-P233 WeakPolarHBondContact O-CA 3.42Å; A182-P233 HydrophobicContact CB-CB 4.01Å; A182-P233 HydrophobicContact CB-CG 3.99Å; P233-V296 HydrophobicContact CG-CB 4.3Å; P233-V296 HydrophobicContact CG-CG1 3.93Å; P233-F312 HydrophobicContact CB-CD2 4.14Å; P233-F312 HydrophobicContact CB-CE2 4.06Å; P233-F312 HydrophobicContact CG-CD2 4.34Å
234L85.4Confident74.9Confident30 Ų3059.8 Ų59.816%0.15734%0.337CS..EExtended strand (participates in β ladder)trans-99140.9177.7-61.4179.8000109.4R180 V181 M221 P228 L230 L232 F236R180-L234 WeakPolarHBondContact CA-O 2.94Å; V181-L234 PolarHBondContact N-O 2.66Å; V181-L234 PolarHBondContact O-N 3.15Å; M221-L234 HydrophobicContact SD-CB 4.44Å; M221-L234 HydrophobicContact SD-CD1 3.82Å; M221-L234 HydrophobicContact SD-CD2 4.15Å; M221-L234 HydrophobicContact SD-CG 4.36Å; P228-L234 HydrophobicContact CB-CD1 3.49Å; P228-L234 VanDerWaalsContact CB-CD1 3.49Å; L230-L234 HydrophobicContact CB-CD1 4.23Å; L230-L234 HydrophobicContact CD1-CD1 3.99Å; L230-L234 HydrophobicContact CG-CD1 3.66Å; L230-L234 HydrophobicContact CG-CG 4.1Å; L232-L234 PolarHBondContact O-N 2.97Å; L232-L234 VanDerWaalsContact O-N 3.11Å; L234-F236 HydrophobicContact CB-CE2 4.11Å
235T88.8Confident76.4Confident42 Ų4257.9 Ų57.926%0.25832%0.324SS..EExtended strand (participates in β ladder)trans-104.9118173.2-50.10000107.4M178 F293M178-T235 HydrophobicContact CB-CG2 3.84Å; M178-T235 HydrophobicContact CG-CG2 4.29Å; M178-T235 HydrophobicContact SD-CG2 4.14Å; T235-F293 HydrophobicContact CG2-CD2 4.14Å; T235-F293 HydrophobicContact CG2-CE2 4.38Å
236F90.5Very high78.1Confident7 Ų754.2 Ų54.23%0.03129%0.285CS..EExtended strand (participates in β ladder)trans-94.3141.4171.9-68.2-92.1000108.5M178 V179 V181 L194 F219 Y220 M221 P228 L234 L265M178-F236 CarbonylContact C-O 3.53Å; M178-F236 VanDerWaalsContact CA-O 3.29Å; M178-F236 WeakPolarHBondContact CA-O 3.34Å; V179-F236 PolarHBondContact N-O 3.3Å; V179-F236 PolarHBondContact O-N 3.39Å; V181-F236 HydrophobicContact CB-CD2 4.31Å; V181-F236 HydrophobicContact CB-CE2 4.08Å; V181-F236 HydrophobicContact CG2-CD2 3.9Å; V181-F236 HydrophobicContact CG2-CE2 4.04Å; L194-F236 HydrophobicContact CB-CD1 3.7Å; L194-F236 HydrophobicContact CB-CD2 4.34Å; L194-F236 HydrophobicContact CB-CE1 3.9Å; L194-F236 HydrophobicContact CB-CG 3.94Å; L194-F236 HydrophobicContact CB-CZ 4.31Å; L194-F236 HydrophobicContact CD2-CB 3.35Å; L194-F236 HydrophobicContact CD2-CD1 4.12Å; L194-F236 HydrophobicContact CD2-CD2 3.81Å; L194-F236 HydrophobicContact CD2-CG 3.49Å; L194-F236 VanDerWaalsContact CD2-CG 3.49Å; L194-F236 HydrophobicContact CG-CG 4.29Å; F219-F236 HydrophobicContact CB-CB 4.24Å; F219-F236 HydrophobicContact CD1-CB 4.1Å; Y220-F236 WeakPolarHBondContact O-CA 3.48Å; M221-F236 HydrophobicContact CB-CD1 4.35Å; M221-F236 HydrophobicContact CB-CE1 4.43Å; P228-F236 HydrophobicContact CG-CZ 4.49Å; L234-F236 HydrophobicContact CB-CE2 4.11Å; F236-L265 HydrophobicContact CE2-CD1 4.31Å; F236-L265 HydrophobicContact CZ-CD1 4.24Å
237Y90.5Very high79.5Confident35 Ų3549.2 Ų49.214%0.13727%0.267CS..EExtended strand (participates in β ladder)trans-127.5144.9177.860.3-93.5000111.7L177 Y220 D222 V239L177-Y237 CarbonylContact O-C 3.49Å; L177-Y237 VanDerWaalsContact O-CA 3.24Å; L177-Y237 WeakPolarHBondContact O-CA 3.33Å; Y220-Y237 PolarHBondContact N-O 2.99Å; Y220-Y237 PolarHBondContact O-N 3.39Å; D222-Y237 HydrophobicContact CB-CE1 4.22Å; D222-Y237 WeakPolarHBondContact OD1-CE1 3.45Å; D222-Y237 PolarHBondContact OD1-OH 2.99Å; D222-Y237 WeakPolarHBondContact OD2-CE1 3.39Å; Y237-V239 HydrophobicContact CD2-CG2 4.14Å; Y237-V239 HydrophobicContact CE2-CG2 4.19Å
238H92.1Very high80.7Confident11 Ų1148.7 Ų48.75%0.05127%0.27CS..EExtended strand (participates in β ladder)trans-112122.5170.5171.767.6000107.9C176 L177 V217 D218 F219 L240 S244C176-H238 CarbonylContact C-O 3.54Å; C176-H238 VanDerWaalsContact CA-O 3.27Å; C176-H238 WeakPolarHBondContact CA-O 3.35Å; L177-H238 HydrophobicContact CB-CB 4.41Å; L177-H238 PolarHBondContact N-O 2.78Å; L177-H238 PolarHBondContact O-N 3.48Å; V217-H238 HydrophobicContact CG1-CB 4.13Å; V217-H238 VanDerWaalsContact CG1-CG 3.49Å; D218-H238 PolarHBondContact O-ND1 3.43Å; F219-H238 HydrophobicContact CD1-CB 3.86Å; F219-H238 HydrophobicContact CE1-CB 3.77Å; F219-H238 HydrophobicContact CG-CB 4.36Å; F219-H238 HydrophobicContact CZ-CB 4.2Å; H238-L240 PolarHBondContact O-N 3.45Å; H238-S244 WeakPolarHBondContact NE2-CB 3.31Å; H238-S244 PolarHBondContact NE2-OG 3.49Å
239V90.6Very high81.7Confident23 Ų2348.5 Ų48.514%0.13927%0.269CS..EExtended strand (participates in β ladder)trans-74.9125.4177.5-177.30000108.4K174 Y237 D241K174-V239 HydrophobicContact CB-CG1 4.14Å; K174-V239 HydrophobicContact CD-CG1 3.82Å; Y237-V239 HydrophobicContact CD2-CG2 4.14Å; Y237-V239 HydrophobicContact CE2-CG2 4.19Å; V239-D241 HydrophobicContact CG1-CB 4.21Å; V239-D241 PolarHBondContact O-N 3.21Å
240L88.4Confident82.8Confident29 Ų2945.5 Ų45.515%0.15226%0.26CS..  trans-83.170.2174.9-62.1170000109I168 L175 H238 L246I168-L240 HydrophobicContact CG2-CD1 4.2Å; L175-L240 HydrophobicContact CD2-CD1 3.65Å; L175-L240 HydrophobicContact CG-CD1 3.89Å; L175-L240 WeakPolarHBondContact O-CB 3.47Å; L175-L240 PolarHBondContact O-N 2.84Å; H238-L240 PolarHBondContact O-N 3.45Å; L240-L246 HydrophobicContact CD2-CB 3.42Å; L240-L246 VanDerWaalsContact CD2-CB 3.42Å; L240-L246 HydrophobicContact CD2-CD1 4.11Å; L240-L246 HydrophobicContact CD2-CG 4.42Å
241D85.1Confident83.8Confident73 Ų7347.3 Ų47.339%0.3928%0.275SS..  trans-90178.2172.967.220.3000111.7V239 S243 S244 V247V239-D241 HydrophobicContact CG1-CB 4.21Å; V239-D241 PolarHBondContact O-N 3.21Å; D241-S243 PolarHBondContact O-N 2.95Å; D241-S243 VanDerWaalsContact O-N 3.13Å; D241-S243 WeakPolarHBondContact OD1-CA 3.2Å; D241-S243 WeakPolarHBondContact OD1-CB 3.48Å; D241-S243 PolarHBondContact OD1-N 3.44Å; D241-S243 PolarHBondContact OD1-OG 3.26Å; D241-S243 PolarHBondContact OD2-OG 2.82Å; D241-S244 VanDerWaalsContact O-CB 3.26Å; D241-S244 WeakPolarHBondContact O-CB 3.17Å; D241-S244 PolarHBondContact O-N 2.93Å; D241-S244 PolarHBondContact OD1-N 3.43Å; D241-V247 WeakPolarHBondContact O-CG2 3.27Å
242E84.1Confident84.6Confident194 Ų19448.3 Ų48.391%0.90728%0.278SS*.THydrogen-bonded Turntrans-61.3-18.3-179.6-63.2-178.1178.800114.5
243S83.6Confident85Confident100 Ų10052.2 Ų52.270%0.69929%0.287SS*.THydrogen-bonded Turntrans-88.7-13.9177.676.20000113.1D241D241-S243 PolarHBondContact O-N 2.95Å; D241-S243 VanDerWaalsContact O-N 3.13Å; D241-S243 WeakPolarHBondContact OD1-CA 3.2Å; D241-S243 WeakPolarHBondContact OD1-CB 3.48Å; D241-S243 PolarHBondContact OD1-N 3.44Å; D241-S243 PolarHBondContact OD1-OG 3.26Å; D241-S243 PolarHBondContact OD2-OG 2.82Å
244S87Confident85.2Confident7 Ų751.6 Ų51.65%0.04928%0.283CS..SBendtrans-68.5138.4-179.3177.50000112.3H238 D241 L246 V247H238-S244 WeakPolarHBondContact NE2-CB 3.31Å; H238-S244 PolarHBondContact NE2-OG 3.49Å; D241-S244 VanDerWaalsContact O-CB 3.26Å; D241-S244 WeakPolarHBondContact O-CB 3.17Å; D241-S244 PolarHBondContact O-N 2.93Å; D241-S244 PolarHBondContact OD1-N 3.43Å; S244-L246 PolarHBondContact O-N 3.29Å; S244-L246 VanDerWaalsContact O-N 3.08Å; S244-L246 PolarHBondContact OG-N 3.28Å; S244-L246 VanDerWaalsContact OG-N 3.11Å; S244-V247 WeakPolarHBondContact O-CB 3.29Å; S244-V247 WeakPolarHBondContact O-CG2 3.49Å; S244-V247 PolarHBondContact O-N 3Å; S244-V247 VanDerWaalsContact O-N 3.1Å
245P85.2Confident84.9Confident33 Ų3360.7 Ų60.721%0.21432%0.316CS..THydrogen-bonded Turntrans-68-10171.830.5-36000113L198 T215 V217 R257L198-P245 HydrophobicContact CB-CG 4.46Å; L198-P245 HydrophobicContact CD2-CB 3.82Å; L198-P245 HydrophobicContact CD2-CG 4.19Å; T215-P245 HydrophobicContact CG2-CB 3.82Å; T215-P245 HydrophobicContact CG2-CG 4.14Å; V217-P245 HydrophobicContact CG2-CG 3.56Å; P245-R257 PolarHBondContact O-NH2 3.41Å
246L84.4Confident84.6Confident3 Ų364.3 Ų64.32%0.01634%0.338CS..THydrogen-bonded Turntrans-97.515.8176-64.7173000112.6L177 L198 L240 S244 L249 F259L177-L246 HydrophobicContact CD2-CD1 3.96Å; L198-L246 HydrophobicContact CD1-CD2 3.8Å; L198-L246 HydrophobicContact CD2-CD2 3.98Å; L198-L246 HydrophobicContact CD2-CG 4.46Å; L240-L246 HydrophobicContact CD2-CB 3.42Å; L240-L246 VanDerWaalsContact CD2-CB 3.42Å; L240-L246 HydrophobicContact CD2-CD1 4.11Å; L240-L246 HydrophobicContact CD2-CG 4.42Å; S244-L246 PolarHBondContact O-N 3.29Å; S244-L246 VanDerWaalsContact O-N 3.08Å; S244-L246 PolarHBondContact OG-N 3.28Å; S244-L246 VanDerWaalsContact OG-N 3.11Å; L246-L249 HydrophobicContact CD2-CD2 4.44Å; L246-L249 WeakPolarHBondContact O-CB 3.29Å; L246-L249 PolarHBondContact O-N 2.96Å; L246-F259 HydrophobicContact CD2-CE2 4.19Å; L246-F259 HydrophobicContact CD2-CZ 4.23Å
247V82.1Confident84.2Confident71 Ų7168.3 Ų68.343%0.4335%0.353SS..THydrogen-bonded Turntrans-55.3143172.1169.20000111.8D241 S244 L249D241-V247 WeakPolarHBondContact O-CG2 3.27Å; S244-V247 WeakPolarHBondContact O-CB 3.29Å; S244-V247 WeakPolarHBondContact O-CG2 3.49Å; S244-V247 PolarHBondContact O-N 3Å; S244-V247 VanDerWaalsContact O-N 3.1Å; V247-L249 PolarHBondContact O-N 2.84Å
248G76.9Confident83.9Confident42 Ų4271.5 Ų71.543%0.43337%0.372SS..THydrogen-bonded Turntrans69.113175.900000114.1T250 R253G248-T250 PolarHBondContact O-N 3.39Å; G248-R253 WeakPolarHBondContact O-CD 3.49Å; G248-R253 PolarHBondContact O-NH1 2.97Å
249L81.1Confident83.8Confident11 Ų1171.2 Ų71.26%0.05837%0.37CS..  trans-67.6127.2169.5-163.872.7000108.8I168 L246 V247 L254 F259 W289I168-L249 HydrophobicContact CD1-CD2 3.91Å; L246-L249 HydrophobicContact CD2-CD2 4.44Å; L246-L249 WeakPolarHBondContact O-CB 3.29Å; L246-L249 PolarHBondContact O-N 2.96Å; V247-L249 PolarHBondContact O-N 2.84Å; L249-L254 HydrophobicContact CD1-CB 4.37Å; L249-L254 HydrophobicContact CD1-CD1 4.11Å; L249-L254 HydrophobicContact CD2-CD1 4.04Å; L249-L254 HydrophobicContact CG-CB 4.49Å; L249-L254 HydrophobicContact CG-CD1 4.33Å; L249-F259 HydrophobicContact CD1-CE1 4.27Å; L249-W289 HydrophobicContact CB-CZ3 4.43Å; L249-W289 HydrophobicContact CD2-CZ3 4.34Å; L249-W289 HydrophobicContact CG-CZ3 4.2Å; L249-W289 WeakPolarHBondContact O-CH2 3.4Å; L249-W289 WeakPolarHBondContact O-CZ3 3.39Å
250T82.4Confident83.9Confident59 Ų5970.6 Ų70.636%0.36237%0.366SS..  trans-122.4164.5172.961.10000109.1G248 E252 R253 L254G248-T250 PolarHBondContact O-N 3.39Å; T250-E252 PolarHBondContact O-N 2.87Å; T250-E252 VanDerWaalsContact O-N 3.1Å; T250-R253 PolarHBondContact O-N 3.31Å; T250-R253 WeakPolarHBondContact OG1-CB 3.41Å; T250-R253 WeakPolarHBondContact OG1-CG 3.35Å; T250-R253 PolarHBondContact OG1-N 3.25Å; T250-L254 WeakPolarHBondContact O-CB 3.3Å; T250-L254 PolarHBondContact O-N 3.38Å
251A81.6Confident84.1Confident38 Ų3869.2 Ų69.231%0.31436%0.359SS..Hα-helixtrans-53.7-33.1178.100000113.4W289A251-W289 HydrophobicContact CB-CB 4.2Å; A251-W289 HydrophobicContact CB-CD2 3.99Å; A251-W289 HydrophobicContact CB-CG 3.73Å
252E81.5Confident84.6Confident116 Ų11666.8 Ų66.854%0.54235%0.346SS..Hα-helixtrans-79.5-45178.4-59.4-175.316300112.5T250 L254 R255 T256 K330T250-E252 PolarHBondContact O-N 2.87Å; T250-E252 VanDerWaalsContact O-N 3.1Å; E252-L254 PolarHBondContact O-N 3.34Å; E252-R255 PolarHBondContact O-N 2.87Å; E252-T256 PolarHBondContact O-OG1 3.44Å; E252-K330 IonicContact OE1-NZ 2.66Å; E252-K330 PolarHBondContact OE1-NZ 3.01Å
253R82.5Confident85.1Confident154 Ų15457.6 Ų57.658%0.58130%0.303SS*.Hα-helixtrans-64.9-32.1177.8-73.4-179.9177.1-174.5-2.7111.7G248 T250 R255 T256 R257G248-R253 WeakPolarHBondContact O-CD 3.49Å; G248-R253 PolarHBondContact O-NH1 2.97Å; T250-R253 PolarHBondContact O-N 3.31Å; T250-R253 WeakPolarHBondContact OG1-CB 3.41Å; T250-R253 WeakPolarHBondContact OG1-CG 3.35Å; T250-R253 PolarHBondContact OG1-N 3.25Å; R253-R255 PolarHBondContact O-N 3.46Å; R253-T256 WeakPolarHBondContact CA-OG1 3.3Å; R253-T256 PolarHBondContact O-N 3.37Å; R253-T256 PolarHBondContact O-OG1 3.08Å; R253-R257 VanDerWaalsContact O-CB 3.23Å; R253-R257 WeakPolarHBondContact O-CB 3.17Å; R253-R257 PolarHBondContact O-N 3.48Å
254L84.7Confident85.6Confident5 Ų553.6 Ų53.63%0.02627%0.274CS..Hα-helixtrans-57.5-37.9176.6-17863.6000112.3I168 L249 T250 E252 F259 P284 I287 W289I168-L254 HydrophobicContact CD1-CD2 4.43Å; L249-L254 HydrophobicContact CD1-CB 4.37Å; L249-L254 HydrophobicContact CD1-CD1 4.11Å; L249-L254 HydrophobicContact CD2-CD1 4.04Å; L249-L254 HydrophobicContact CG-CB 4.49Å; L249-L254 HydrophobicContact CG-CD1 4.33Å; T250-L254 WeakPolarHBondContact O-CB 3.3Å; T250-L254 PolarHBondContact O-N 3.38Å; E252-L254 PolarHBondContact O-N 3.34Å; L254-F259 HydrophobicContact CD1-CE1 4.1Å; L254-F259 HydrophobicContact CD1-CZ 3.78Å; L254-P284 HydrophobicContact CD1-CB 4.2Å; L254-P284 WeakPolarHBondContact O-CB 3.4Å; L254-I287 HydrophobicContact CD1-CB 4.12Å; L254-I287 HydrophobicContact CD1-CD1 4.28Å; L254-I287 HydrophobicContact CD1-CG2 4.22Å; L254-I287 HydrophobicContact CD2-CB 4.09Å; L254-I287 HydrophobicContact CD2-CG2 3.95Å; L254-I287 WeakPolarHBondContact CD2-O 3.27Å; L254-W289 HydrophobicContact CD2-CB 4.4Å; L254-W289 HydrophobicContact CD2-CE3 4.38Å
255R80.1Confident85.8Confident222 Ų22253.2 Ų53.284%0.83827%0.272SS*.Hα-helixtrans-77.3-21.9-178.9-65.7-175.21791801.1113.8E252 R253E252-R255 PolarHBondContact O-N 2.87Å; R253-R255 PolarHBondContact O-N 3.46Å
256T81.6Confident86Confident118 Ų11854 Ų5472%0.72427%0.274SS*.Hα-helixtrans-105-21.4-173.249.90000113.2E252 R253E252-T256 PolarHBondContact O-OG1 3.44Å; R253-T256 WeakPolarHBondContact CA-OG1 3.3Å; R253-T256 PolarHBondContact O-N 3.37Å; R253-T256 PolarHBondContact O-OG1 3.08Å
257R82.8Confident86.3Confident91 Ų9154 Ų5434%0.34328%0.275SS..  trans-75137.2179.7-160.6177.6177.7165.1-5.5110.1P245 R253 F259 P284P245-R257 PolarHBondContact O-NH2 3.41Å; R253-R257 VanDerWaalsContact O-CB 3.23Å; R253-R257 WeakPolarHBondContact O-CB 3.17Å; R253-R257 PolarHBondContact O-N 3.48Å; R257-F259 HydrophobicContact CB-CD1 3.91Å; R257-F259 HydrophobicContact CB-CE1 4.08Å; R257-F259 HydrophobicContact CG-CD1 3.72Å; R257-F259 HydrophobicContact CG-CE1 4.23Å; R257-P284 WeakPolarHBondContact O-CG 3.33Å
258D85.1Confident86.6Confident101 Ų10151.8 Ų51.854%0.5426%0.261SS..  trans-99.7104.7175.2-166.422000109.6Q9Q9-D258 PolarHBondContact NE2-OD1 2.95Å
259F89.6Confident87Confident5 Ų550.3 Ų50.32%0.02224%0.243CC..  trans-154.2157.5175.569-91.3000110.4L198 L199 L246 L249 L254 R257 P284 I287L198-F259 HydrophobicContact CD1-CB 4.09Å; L198-F259 HydrophobicContact CD1-CD2 3.34Å; L198-F259 HydrophobicContact CD1-CE2 3.96Å; L198-F259 HydrophobicContact CD1-CG 3.94Å; L199-F259 CarbonylContact O-C 3.58Å; L199-F259 WeakPolarHBondContact O-CA 3.4Å; L246-F259 HydrophobicContact CD2-CE2 4.19Å; L246-F259 HydrophobicContact CD2-CZ 4.23Å; L249-F259 HydrophobicContact CD1-CE1 4.27Å; L254-F259 HydrophobicContact CD1-CE1 4.1Å; L254-F259 HydrophobicContact CD1-CZ 3.78Å; R257-F259 HydrophobicContact CB-CD1 3.91Å; R257-F259 HydrophobicContact CB-CE1 4.08Å; R257-F259 HydrophobicContact CG-CD1 3.72Å; R257-F259 HydrophobicContact CG-CE1 4.23Å; F259-P284 HydrophobicContact CD1-CB 4.46Å; F259-P284 HydrophobicContact CD1-CG 3.78Å; F259-P284 HydrophobicContact CD2-CG 4.41Å; F259-P284 HydrophobicContact CE1-CB 3.93Å; F259-P284 HydrophobicContact CE1-CG 3.74Å; F259-P284 HydrophobicContact CE2-CG 4.38Å; F259-P284 HydrophobicContact CG-CG 4.16Å; F259-P284 HydrophobicContact CZ-CB 4.13Å; F259-P284 HydrophobicContact CZ-CG 4.07Å; F259-P284 WeakPolarHBondContact O-CD 3.29Å; F259-P284 VanDerWaalsContact O-CG 3.32Å; F259-P284 WeakPolarHBondContact O-CG 3.19Å; F259-I287 HydrophobicContact CE2-CD1 3.74Å; F259-I287 HydrophobicContact CZ-CD1 3.84Å
260E92.4Very high87.1Confident10 Ų1054.9 Ų54.95%0.04726%0.264CS..EExtended strand (participates in β ladder)trans-124124.2171.3-178.1-179.1166.900108.8R11 I12 V13 L199 S281R11-E260 WeakPolarHBondContact CA-OE2 3.5Å; R11-E260 WeakPolarHBondContact CG-OE1 3.33Å; I12-E260 WeakPolarHBondContact CB-OE2 3.42Å; I12-E260 PolarHBondContact N-OE1 3.13Å; I12-E260 PolarHBondContact N-OE2 3.32Å; V13-E260 PolarHBondContact N-OE1 3.02Å; V13-E260 VanDerWaalsContact N-OE1 3.08Å; L199-E260 HydrophobicContact CB-CB 4.28Å; L199-E260 WeakPolarHBondContact CB-O 3.47Å; L199-E260 PolarHBondContact N-O 3.19Å; L199-E260 PolarHBondContact O-N 2.78Å; E260-S281 WeakPolarHBondContact OE1-CB 3.39Å
261L93.1Very high87.1Confident0 Ų056.6 Ų56.60%028%0.279CS..EExtended strand (participates in β ladder)trans-92.8105.6174.5178.568000109.3L177 L198 V217 F219 V263 S281 F282L177-L261 HydrophobicContact CD2-CD2 3.47Å; L177-L261 VanDerWaalsContact CD2-CD2 3.47Å; L198-L261 HydrophobicContact CD1-CD1 4.4Å; V217-L261 HydrophobicContact CB-CD1 4.38Å; V217-L261 HydrophobicContact CG2-CD1 4.11Å; F219-L261 HydrophobicContact CZ-CD2 4.36Å; L261-V263 HydrophobicContact CD2-CG2 4.17Å; L261-V263 HydrophobicContact CG-CG2 3.98Å; L261-S281 CarbonylContact O-C 3.56Å; L261-S281 WeakPolarHBondContact O-CA 3.37Å; L261-F282 HydrophobicContact CB-CB 4.32Å; L261-F282 PolarHBondContact N-O 2.95Å; L261-F282 PolarHBondContact O-N 3.38Å
262L94.6Very high87.2Confident23 Ų2358.7 Ų58.712%0.1229%0.288CS..EExtended strand (participates in β ladder)trans-82.5122.2172.4175.963.5000109.4V13 G196 K197 L199 R279V13-L262 HydrophobicContact CB-CD1 3.91Å; V13-L262 HydrophobicContact CG1-CD1 3.95Å; V13-L262 HydrophobicContact CG2-CD1 3.75Å; V13-L262 HydrophobicContact CG2-CD2 4.43Å; G196-L262 CarbonylContact C-O 3.54Å; G196-L262 WeakPolarHBondContact CA-O 3.44Å; K197-L262 HydrophobicContact CB-CB 4.33Å; K197-L262 PolarHBondContact N-O 3.27Å; K197-L262 PolarHBondContact O-N 2.94Å; L199-L262 HydrophobicContact CD1-CB 4.22Å; L262-R279 HydrophobicContact CD1-CB 4.42Å
263V94.6Very high87.5Confident0 Ų057 Ų570%029%0.293CS..EExtended strand (participates in β ladder)trans-113.9127.9177179.40000108.9F162 L194 F219 L261 R279 T280 F282F162-V263 HydrophobicContact CE1-CG1 4.13Å; L194-V263 HydrophobicContact CD1-CG1 3.43Å; L194-V263 VanDerWaalsContact CD1-CG1 3.43Å; L194-V263 HydrophobicContact CD2-CG1 3.83Å; L194-V263 HydrophobicContact CG-CG1 3.71Å; F219-V263 HydrophobicContact CE2-CG2 4.29Å; F219-V263 HydrophobicContact CZ-CG2 4.31Å; L261-V263 HydrophobicContact CD2-CG2 4.17Å; L261-V263 HydrophobicContact CG-CG2 3.98Å; V263-R279 CarbonylContact O-C 3.6Å; V263-R279 WeakPolarHBondContact O-CA 3.17Å; V263-T280 HydrophobicContact CB-CG2 4.17Å; V263-T280 PolarHBondContact N-O 3.35Å; V263-T280 PolarHBondContact O-N 2.95Å; V263-F282 HydrophobicContact CB-CE2 4.22Å; V263-F282 HydrophobicContact CG2-CD2 3.81Å; V263-F282 HydrophobicContact CG2-CE2 3.82Å
264T93.9Very high87.7Confident16 Ų1651.1 Ų51.110%0.09828%0.278CS..EExtended strand (participates in β ladder)trans-124.6122.3-177.9-58.30000109.7I195 Q277 S278 R279I195-T264 PolarHBondContact N-O 2.87Å; I195-T264 PolarHBondContact O-N 3.4Å; T264-Q277 HydrophobicContact CG2-CG 3.41Å; T264-Q277 VanDerWaalsContact CG2-CG 3.41Å; T264-S278 CarbonylContact C-O 3.54Å; T264-S278 WeakPolarHBondContact CA-O 3.46Å; T264-R279 HydrophobicContact CG2-CG 3.78Å
265L91.4Very high87.9Confident0 Ų056 Ų560%031%0.308CS..EExtended strand (participates in β ladder)trans-96118.2169.2-17283.8000108.9I160 F162 V181 C192 L194 L230 F236 Q277 S278I160-L265 HydrophobicContact CD1-CD2 3.95Å; I160-L265 HydrophobicContact CG2-CD2 3.63Å; F162-L265 HydrophobicContact CE1-CB 4.21Å; F162-L265 HydrophobicContact CZ-CB 3.76Å; V181-L265 HydrophobicContact CG1-CD1 4.41Å; V181-L265 HydrophobicContact CG1-CD2 3.85Å; C192-L265 HydrophobicContact CB-CD1 4.17Å; L194-L265 HydrophobicContact CB-CD1 4.33Å; L194-L265 HydrophobicContact CD1-CB 3.94Å; L194-L265 HydrophobicContact CD1-CD1 3.74Å; L194-L265 HydrophobicContact CD1-CG 4.49Å; L230-L265 HydrophobicContact CD1-CD2 4.46Å; F236-L265 HydrophobicContact CE2-CD1 4.31Å; F236-L265 HydrophobicContact CZ-CD1 4.24Å; L265-Q277 WeakPolarHBondContact O-CA 3.4Å; L265-S278 PolarHBondContact N-O 2.97Å; L265-S278 PolarHBondContact O-N 3.36Å
266N90.5Very high88.2Confident49 Ų4945.7 Ų45.726%0.26227%0.27SS..EExtended strand (participates in β ladder)trans-95.5131165.3-65.3-24000108C192 Q193 Q277C192-N266 CarbonylContact C-O 3.57Å; C192-N266 VanDerWaalsContact CA-O 3.29Å; C192-N266 WeakPolarHBondContact CA-O 3.43Å; Q193-N266 PolarHBondContact N-O 3.47Å; Q193-N266 PolarHBondContact O-N 3.29Å; N266-Q277 WeakPolarHBondContact OD1-CG 3.37Å; N266-Q277 PolarHBondContact OD1-NE2 3.49Å
267A88.9Confident88.6Confident3 Ų344.8 Ų44.83%0.02526%0.257CS..EExtended strand (participates in β ladder)trans-147.9156.5175.700000110.8L189 C192 T275 C276L189-A267 HydrophobicContact CB-CB 4.17Å; L189-A267 HydrophobicContact CD1-CB 4.44Å; L189-A267 HydrophobicContact CD2-CB 4.45Å; C192-A267 HydrophobicContact CB-CB 4.2Å; A267-T275 CarbonylContact O-C 3.26Å; A267-T275 WeakPolarHBondContact O-CA 3.45Å; A267-C276 PolarHBondContact N-O 2.93Å; A267-C276 PolarHBondContact O-N 3.28Å; A267-C276 PolarHBondContact O-SG 2.99Å; A267-C276 VanDerWaalsContact O-SG 3.39Å
268T88.4Confident89Confident25 Ų2541.2 Ų41.215%0.15325%0.246CC..EExtended strand (participates in β ladder)trans-106.9129.6176.4-56.80000109.3I190 Q191I190-T268 PolarHBondContact N-O 3.08Å; I190-T268 PolarHBondContact O-N 2.93Å; Q191-T268 PolarHBondContact OE1-OG1 2.86Å
269M85.2Confident89.4Confident10 Ų1040 Ų405%0.04923%0.234CC..EExtended strand (participates in β ladder)trans-79131.8176.3-58.8173.9-74.700110.9P153 R156 L189 S271 T272 A273 A274P153-M269 HydrophobicContact CB-CE 3.26Å; P153-M269 HydrophobicContact CB-SD 3.96Å; P153-M269 HydrophobicContact CG-CE 4.15Å; R156-M269 HydrophobicContact CB-SD 3.72Å; R156-M269 HydrophobicContact CG-CG 4Å; R156-M269 HydrophobicContact CG-SD 3.47Å; R156-M269 WeakPolarHBondContact CG-SD 3.48Å; L189-M269 HydrophobicContact CD2-CG 4.01Å; M269-S271 PolarHBondContact O-N 3Å; M269-T272 WeakPolarHBondContact CE-OG1 3.09Å; M269-A273 VanDerWaalsContact O-CA 3.27Å; M269-A273 WeakPolarHBondContact O-CA 3.11Å; M269-A273 PolarHBondContact O-N 2.96Å; M269-A274 HydrophobicContact CE-CB 3.52Å; M269-A274 VanDerWaalsContact CE-O 3.31Å; M269-A274 WeakPolarHBondContact CE-O 3.25Å; M269-A274 PolarHBondContact N-O 3.32Å
270E83.8Confident89.7Confident108 Ų10840 Ų4051%0.50523%0.234SC..THydrogen-bonded Turntrans-57.5-44.1177.9-179.5-177.8-142.800113.1L188 I190 T272L188-E270 HydrophobicContact CB-CB 4.25Å; L188-E270 WeakPolarHBondContact CB-OE2 3.47Å; L188-E270 WeakPolarHBondContact CD1-OE2 3.4Å; L188-E270 PolarHBondContact O-N 3.4Å; I190-E270 HydrophobicContact CD1-CB 3.88Å; I190-E270 HydrophobicContact CD1-CG 4.09Å; I190-E270 HydrophobicContact CG1-CB 4.31Å; E270-T272 VanDerWaalsContact C-N 3.34Å; E270-T272 PolarHBondContact O-N 3.11Å
271S82.6Confident89.8Confident95 Ų9539.5 Ų39.566%0.66423%0.232SC*.THydrogen-bonded Turntrans-74.8-19.3-170.364.80000115.3M269M269-S271 PolarHBondContact O-N 3Å
272T84.8Confident89.8Confident82 Ų8239.5 Ų39.550%0.50323%0.232SC..THydrogen-bonded Turntrans-131.4-5.7-174.152.20000113.2M269 E270 A274M269-T272 WeakPolarHBondContact CE-OG1 3.09Å; E270-T272 VanDerWaalsContact C-N 3.34Å; E270-T272 PolarHBondContact O-N 3.11Å; T272-A274 PolarHBondContact O-N 2.93Å
273A86.7Confident89.6Confident79 Ų7938.8 Ų38.865%0.65323%0.229SC*.  trans52.812.5-170.300000114.7M269M269-A273 VanDerWaalsContact O-CA 3.27Å; M269-A273 WeakPolarHBondContact O-CA 3.11Å; M269-A273 PolarHBondContact O-N 2.96Å
274A86.8Confident89.4Confident31 Ų3139 Ų3926%0.25623%0.23SC..  trans-83.9138.4178.600000110.6M269 T272M269-A274 HydrophobicContact CE-CB 3.52Å; M269-A274 VanDerWaalsContact CE-O 3.31Å; M269-A274 WeakPolarHBondContact CE-O 3.25Å; M269-A274 PolarHBondContact N-O 3.32Å; T272-A274 PolarHBondContact O-N 2.93Å
275T88.3Confident89.2Confident109 Ų10944.6 Ų44.667%0.66926%0.255SS*.EExtended strand (participates in β ladder)trans-74.6127.917655.80000110A267A267-T275 CarbonylContact O-C 3.26Å; A267-T275 WeakPolarHBondContact O-CA 3.45Å
276C88.1Confident89.2Confident5 Ų546.5 Ų46.53%0.03426%0.264CS..EExtended strand (participates in β ladder)trans-109.9143.3169.968.20000110.1P153 A267P153-C276 HydrophobicContact CB-CB 4.23Å; A267-C276 PolarHBondContact N-O 2.93Å; A267-C276 PolarHBondContact O-N 3.28Å; A267-C276 PolarHBondContact O-SG 2.99Å; A267-C276 VanDerWaalsContact O-SG 3.39Å
277Q89.7Confident89.3Confident98 Ų9844.5 Ų44.546%0.45825%0.253SS..EExtended strand (participates in β ladder)trans-123.1126.4175.5-176.7175.478.400108.5A157 T264 L265 N266 R279A157-Q277 WeakPolarHBondContact CB-O 3.42Å; T264-Q277 HydrophobicContact CG2-CG 3.41Å; T264-Q277 VanDerWaalsContact CG2-CG 3.41Å; L265-Q277 WeakPolarHBondContact O-CA 3.4Å; N266-Q277 WeakPolarHBondContact OD1-CG 3.37Å; N266-Q277 PolarHBondContact OD1-NE2 3.49Å; Q277-R279 HydrophobicContact CG-CG 4.18Å
278S91.6Very high89.4Confident16 Ų1646.5 Ų46.511%0.11226%0.263CS..EExtended strand (participates in β ladder)trans-121.8142.9172.3-164.10000109.5A157 F162 T264 L265A157-S278 PolarHBondContact O-OG 2.98Å; F162-S278 WeakPolarHBondContact CE2-OG 3.36Å; T264-S278 CarbonylContact C-O 3.54Å; T264-S278 WeakPolarHBondContact CA-O 3.46Å; L265-S278 PolarHBondContact N-O 2.97Å; L265-S278 PolarHBondContact O-N 3.36Å
279R93.1Very high89.5Confident77 Ų7747.8 Ų47.829%0.29127%0.265SS..EExtended strand (participates in β ladder)trans-134.9147.1-170.2-61.2175.5-59-162.19.4110.3G17 N19 L262 V263 T264 Q277G17-R279 WeakPolarHBondContact CA-O 3.39Å; G17-R279 PolarHBondContact N-O 3.37Å; G17-R279 PolarHBondContact O-NH2 3.5Å; N19-R279 PolarHBondContact OD1-NH2 3.29Å; L262-R279 HydrophobicContact CD1-CB 4.42Å; V263-R279 CarbonylContact O-C 3.6Å; V263-R279 WeakPolarHBondContact O-CA 3.17Å; T264-R279 HydrophobicContact CG2-CG 3.78Å; Q277-R279 HydrophobicContact CG-CG 4.18Å
280T94.4Very high89.7Confident3 Ų347.7 Ų47.72%0.01827%0.267CS..EExtended strand (participates in β ladder)trans-148160.1170.6-162.20000110.1K15 F162 V263 F282K15-T280 WeakPolarHBondContact O-CB 3.49Å; K15-T280 PolarHBondContact O-OG1 3.49Å; F162-T280 HydrophobicContact CB-CG2 3.75Å; F162-T280 HydrophobicContact CD1-CG2 3.64Å; F162-T280 HydrophobicContact CD2-CG2 3.87Å; F162-T280 HydrophobicContact CE1-CG2 4.19Å; F162-T280 HydrophobicContact CE2-CG2 4.36Å; F162-T280 HydrophobicContact CG-CG2 3.47Å; F162-T280 VanDerWaalsContact CG-CG2 3.47Å; V263-T280 HydrophobicContact CB-CG2 4.17Å; V263-T280 PolarHBondContact N-O 3.35Å; V263-T280 PolarHBondContact O-N 2.95Å; T280-F282 HydrophobicContact CG2-CD2 4.37Å; T280-F282 HydrophobicContact CG2-CE2 3.57Å; T280-F282 HydrophobicContact CG2-CZ 3.88Å
281S94.5Very high89.9Confident0 Ų046.4 Ų46.40%026%0.258CS..EExtended strand (participates in β ladder)trans-112.6146.9175.966.60000110.6R11 V13 K15 E260 L261R11-S281 WeakPolarHBondContact CD-OG 3.45Å; R11-S281 PolarHBondContact NH1-OG 3.36Å; V13-S281 WeakPolarHBondContact O-CB 3.46Å; V13-S281 PolarHBondContact O-OG 3.37Å; K15-S281 VanDerWaalsContact CD-O 3.29Å; K15-S281 WeakPolarHBondContact CD-O 3.41Å; K15-S281 WeakPolarHBondContact CE-O 3.46Å; K15-S281 PolarHBondContact NZ-O 2.95Å; E260-S281 WeakPolarHBondContact OE1-CB 3.39Å; L261-S281 CarbonylContact O-C 3.56Å; L261-S281 WeakPolarHBondContact O-CA 3.37Å
282F93.5Very high90.3Very high0 Ų044.1 Ų44.10%024%0.237CC..EExtended strand (participates in β ladder)trans-119.1118.1163.5-61.3-84000109.4S163 A166 V179 L261 V263 T280 E286 I287S163-F282 WeakPolarHBondContact O-CE1 3.48Å; S163-F282 WeakPolarHBondContact O-CZ 3.16Å; A166-F282 HydrophobicContact CB-CD1 3.85Å; A166-F282 HydrophobicContact CB-CD2 4.48Å; A166-F282 HydrophobicContact CB-CE1 4.08Å; A166-F282 HydrophobicContact CB-CG 4.09Å; A166-F282 HydrophobicContact CB-CZ 4.48Å; V179-F282 HydrophobicContact CG1-CE2 3.87Å; V179-F282 HydrophobicContact CG1-CZ 3.87Å; V179-F282 HydrophobicContact CG2-CE2 3.97Å; V179-F282 HydrophobicContact CG2-CZ 4.35Å; L261-F282 HydrophobicContact CB-CB 4.32Å; L261-F282 PolarHBondContact N-O 2.95Å; L261-F282 PolarHBondContact O-N 3.38Å; V263-F282 HydrophobicContact CB-CE2 4.22Å; V263-F282 HydrophobicContact CG2-CD2 3.81Å; V263-F282 HydrophobicContact CG2-CE2 3.82Å; T280-F282 HydrophobicContact CG2-CD2 4.37Å; T280-F282 HydrophobicContact CG2-CE2 3.57Å; T280-F282 HydrophobicContact CG2-CZ 3.88Å; F282-E286 WeakPolarHBondContact CA-OE2 3.09Å; F282-E286 HydrophobicContact CD1-CB 4.45Å; F282-I287 HydrophobicContact CB-CD1 4.44Å; F282-I287 HydrophobicContact CB-CG1 4.16Å
283V91.9Very high90.6Very high9 Ų941 Ų416%0.05522%0.217CC..  trans-83.5162.1166.2-59.80000109.3Q285 E286V283-Q285 HydrophobicContact CG2-CB 4.38Å; V283-Q285 PolarHBondContact O-N 2.88Å; V283-Q285 VanDerWaalsContact O-N 3.1Å; V283-E286 HydrophobicContact CG2-CB 4.33Å; V283-E286 HydrophobicContact CG2-CG 3.65Å; V283-E286 PolarHBondContact N-OE2 3.21Å; V283-E286 VanDerWaalsContact N-OE2 3.1Å; V283-E286 WeakPolarHBondContact O-CB 3.4Å; V283-E286 PolarHBondContact O-N 3.28Å
284P90.4Very high90.7Very high5 Ų540.5 Ų40.53%0.03220%0.2CC..G310 helixtrans-62.9-28.4-170.3-21.435.3000112.8L254 R257 F259 E286 I287L254-P284 HydrophobicContact CD1-CB 4.2Å; L254-P284 WeakPolarHBondContact O-CB 3.4Å; R257-P284 WeakPolarHBondContact O-CG 3.33Å; F259-P284 HydrophobicContact CD1-CB 4.46Å; F259-P284 HydrophobicContact CD1-CG 3.78Å; F259-P284 HydrophobicContact CD2-CG 4.41Å; F259-P284 HydrophobicContact CE1-CB 3.93Å; F259-P284 HydrophobicContact CE1-CG 3.74Å; F259-P284 HydrophobicContact CE2-CG 4.38Å; F259-P284 HydrophobicContact CG-CG 4.16Å; F259-P284 HydrophobicContact CZ-CB 4.13Å; F259-P284 HydrophobicContact CZ-CG 4.07Å; F259-P284 WeakPolarHBondContact O-CD 3.29Å; F259-P284 VanDerWaalsContact O-CG 3.32Å; F259-P284 WeakPolarHBondContact O-CG 3.19Å; P284-E286 PolarHBondContact O-N 3.36Å; P284-I287 PolarHBondContact O-N 3.48Å
285Q89.1Confident90.6Very high133 Ų13342.8 Ų42.862%0.62121%0.212SC*.G310 helixtrans-67.9-21.2174.7-56.817720.400113.7V283V283-Q285 HydrophobicContact CG2-CB 4.38Å; V283-Q285 PolarHBondContact O-N 2.88Å; V283-Q285 VanDerWaalsContact O-N 3.1Å
286E91.6Very high90.5Very high39 Ų3938 Ų3818%0.18218%0.182CC..G310 helixtrans-95.53.8179-61.7170.3158.200112.2R11 K15 S165 A166 F282 V283 P284R11-E286 IonicContact CZ-OE1 3.34Å; R11-E286 IonicContact NH1-OE1 2.83Å; R11-E286 VanDerWaalsContact NH2-CD 3.32Å; R11-E286 IonicContact NH2-OE1 2.65Å; R11-E286 PolarHBondContact NH2-OE1 2.94Å; R11-E286 IonicContact NH2-OE2 2.87Å; R11-E286 PolarHBondContact NH2-OE2 3.38Å; K15-E286 WeakPolarHBondContact CE-OE1 3.34Å; K15-E286 WeakPolarHBondContact CE-OE2 3.34Å; K15-E286 VanDerWaalsContact NZ-CD 3.29Å; K15-E286 IonicContact NZ-OE1 2.75Å; K15-E286 IonicContact NZ-OE2 3.34Å; K15-E286 PolarHBondContact NZ-OE2 2.98Å; S165-E286 CarbonylContact C-O 3.49Å; S165-E286 WeakPolarHBondContact CA-O 3.29Å; S165-E286 VanDerWaalsContact CB-O 3.28Å; S165-E286 WeakPolarHBondContact CB-O 3.34Å; A166-E286 PolarHBondContact N-O 3.34Å; F282-E286 WeakPolarHBondContact CA-OE2 3.09Å; F282-E286 HydrophobicContact CD1-CB 4.45Å; V283-E286 HydrophobicContact CG2-CB 4.33Å; V283-E286 HydrophobicContact CG2-CG 3.65Å; V283-E286 PolarHBondContact N-OE2 3.21Å; V283-E286 VanDerWaalsContact N-OE2 3.1Å; V283-E286 WeakPolarHBondContact O-CB 3.4Å; V283-E286 PolarHBondContact O-N 3.28Å; P284-E286 PolarHBondContact O-N 3.36Å
287I92.2Very high90.3Very high7 Ų741.1 Ų41.14%0.03620%0.199CC..EExtended strand (participates in β ladder)trans-103.5118.8175.3-55.5177.9000107.7A166 I168 L177 L254 F259 F282 P284A166-I287 HydrophobicContact CB-CG1 4.29Å; A166-I287 CarbonylContact O-C 3.57Å; A166-I287 WeakPolarHBondContact O-CA 3.14Å; I168-I287 HydrophobicContact CD1-CG2 3.59Å; I168-I287 HydrophobicContact CG1-CG2 3.83Å; L177-I287 HydrophobicContact CD1-CG2 3.8Å; L254-I287 HydrophobicContact CD1-CB 4.12Å; L254-I287 HydrophobicContact CD1-CD1 4.28Å; L254-I287 HydrophobicContact CD1-CG2 4.22Å; L254-I287 HydrophobicContact CD2-CB 4.09Å; L254-I287 HydrophobicContact CD2-CG2 3.95Å; L254-I287 WeakPolarHBondContact CD2-O 3.27Å; F259-I287 HydrophobicContact CE2-CD1 3.74Å; F259-I287 HydrophobicContact CZ-CD1 3.84Å; F282-I287 HydrophobicContact CB-CD1 4.44Å; F282-I287 HydrophobicContact CB-CG1 4.16Å; P284-I287 PolarHBondContact O-N 3.48Å
288L91.6Very high90Very high45 Ų4540.5 Ų40.524%0.23619%0.194CC..EExtended strand (participates in β ladder)trans-102.1116.2-174.1-58.5179.2000110.7A166 V167 I168 Y291 V315A166-L288 PolarHBondContact O-N 3.28Å; V167-L288 CarbonylContact C-O 3.58Å; V167-L288 WeakPolarHBondContact CA-O 3.41Å; V167-L288 HydrophobicContact CG1-CB 4.34Å; I168-L288 PolarHBondContact N-O 3.1Å; L288-Y291 HydrophobicContact CB-CD2 3.68Å; L288-Y291 HydrophobicContact CB-CE2 4.43Å; L288-Y291 HydrophobicContact CB-CG 4Å; L288-V315 HydrophobicContact CD1-CG1 4.3Å; L288-V315 HydrophobicContact CD1-CG2 3.79Å
289W89.8Confident89.6Confident52 Ų5243.6 Ų43.620%0.19722%0.216CC..EExtended strand (participates in β ladder)trans-83.8130.6-179.7-169.7-75.3000112.2I168 L175 L249 A251 L254 Y291 L323I168-W289 HydrophobicContact CB-CE3 4.26Å; I168-W289 HydrophobicContact CD1-CE3 3.6Å; I168-W289 HydrophobicContact CD1-CZ3 3.83Å; I168-W289 HydrophobicContact CG2-CD2 4.29Å; I168-W289 HydrophobicContact CG2-CE3 4.05Å; I168-W289 HydrophobicContact CG2-CH2 4.37Å; I168-W289 HydrophobicContact CG2-CZ3 4.09Å; L175-W289 HydrophobicContact CD1-CZ2 4.43Å; L175-W289 HydrophobicContact CD2-CH2 3.57Å; L175-W289 HydrophobicContact CD2-CZ2 3.93Å; L175-W289 HydrophobicContact CD2-CZ3 4.44Å; L249-W289 HydrophobicContact CB-CZ3 4.43Å; L249-W289 HydrophobicContact CD2-CZ3 4.34Å; L249-W289 HydrophobicContact CG-CZ3 4.2Å; L249-W289 WeakPolarHBondContact O-CH2 3.4Å; L249-W289 WeakPolarHBondContact O-CZ3 3.39Å; A251-W289 HydrophobicContact CB-CB 4.2Å; A251-W289 HydrophobicContact CB-CD2 3.99Å; A251-W289 HydrophobicContact CB-CG 3.73Å; L254-W289 HydrophobicContact CD2-CB 4.4Å; L254-W289 HydrophobicContact CD2-CE3 4.38Å; W289-Y291 VanDerWaalsContact C-N 3.3Å; W289-Y291 VanDerWaalsContact O-CD2 3.28Å; W289-Y291 WeakPolarHBondContact O-CD2 3.35Å; W289-L323 HydrophobicContact CZ2-CD2 4.34Å
290G88.6Confident89.1Confident9 Ų941.8 Ų41.89%0.09321%0.214CC..THydrogen-bonded Turntrans75.918.8179.200000113.7I168 S318I168-G290 WeakPolarHBondContact O-CA 3.38Å; I168-G290 PolarHBondContact O-N 2.92Å; G290-S318 WeakPolarHBondContact O-CB 3.45Å; G290-S318 PolarHBondContact O-N 2.98Å
291Y89.7Confident88.4Confident81 Ų8148.7 Ų48.732%0.31826%0.258SS..EExtended strand (participates in β ladder)trans-108.6151.2175.4-73.6-95.9000110.2V167 C169 L288 W289 V315 Q316 L317V167-Y291 WeakPolarHBondContact CB-O 3.29Å; C169-Y291 WeakPolarHBondContact CB-O 3.35Å; L288-Y291 HydrophobicContact CB-CD2 3.68Å; L288-Y291 HydrophobicContact CB-CE2 4.43Å; L288-Y291 HydrophobicContact CB-CG 4Å; W289-Y291 VanDerWaalsContact C-N 3.3Å; W289-Y291 VanDerWaalsContact O-CD2 3.28Å; W289-Y291 WeakPolarHBondContact O-CD2 3.35Å; Y291-V315 HydrophobicContact CD1-CB 4.1Å; Y291-V315 HydrophobicContact CD1-CG2 3.69Å; Y291-V315 HydrophobicContact CE1-CG2 4.29Å; Y291-V315 HydrophobicContact CG-CG2 4.36Å; Y291-Q316 CarbonylContact C-O 3.51Å; Y291-Q316 VanDerWaalsContact CA-O 3.27Å; Y291-Q316 WeakPolarHBondContact CA-O 3.42Å; Y291-Q316 WeakPolarHBondContact CD1-O 3.2Å; Y291-L317 HydrophobicContact CE1-CG 4.05Å
292E90.1Very high87.8Confident46 Ų4653.1 Ų53.122%0.21529%0.289CS..EExtended strand (participates in β ladder)trans-126.2154.217266-169.5-15800109.6V315 Q316 S318E292-V315 CarbonylContact O-C 3.53Å; E292-V315 WeakPolarHBondContact O-CA 3.43Å; E292-Q316 HydrophobicContact CG-CG 3.41Å; E292-Q316 VanDerWaalsContact CG-CG 3.41Å; E292-Q316 PolarHBondContact N-O 3.5Å; E292-Q316 PolarHBondContact O-N 2.99Å; E292-Q316 PolarHBondContact OE1-NE2 3.46Å; E292-S318 WeakPolarHBondContact OE2-CA 3.49Å; E292-S318 PolarHBondContact OE2-OG 3.15Å
293F90.5Very high87.3Confident18 Ų1855.9 Ų55.98%0.07932%0.318CS..EExtended strand (participates in β ladder)trans-76.9138.1178.5-71.8-67.5000111.4S165 V167 M178 R180 T235 V315S165-F293 WeakPolarHBondContact O-CZ 3.4Å; V167-F293 HydrophobicContact CB-CE2 4.48Å; V167-F293 HydrophobicContact CG1-CD1 4.38Å; V167-F293 HydrophobicContact CG1-CE1 4Å; V167-F293 HydrophobicContact CG1-CE2 4.3Å; V167-F293 HydrophobicContact CG1-CZ 3.95Å; V167-F293 HydrophobicContact CG2-CD2 3.65Å; V167-F293 HydrophobicContact CG2-CE2 3.51Å; V167-F293 HydrophobicContact CG2-CG 4.28Å; V167-F293 HydrophobicContact CG2-CZ 4.02Å; M178-F293 HydrophobicContact CB-CD2 4.4Å; M178-F293 HydrophobicContact CB-CE2 4.03Å; R180-F293 HydrophobicContact CB-CD2 4.3Å; R180-F293 HydrophobicContact CB-CE1 4.42Å; R180-F293 HydrophobicContact CB-CE2 4Å; R180-F293 HydrophobicContact CB-CZ 4.07Å; R180-F293 VanDerWaalsContact NH2-CB 3.27Å; T235-F293 HydrophobicContact CG2-CD2 4.14Å; T235-F293 HydrophobicContact CG2-CE2 4.38Å; F293-V315 HydrophobicContact CD1-CG1 3.93Å; F293-V315 HydrophobicContact CE1-CG1 4.11Å
294K89.1Confident86.8Confident68 Ų6864.5 Ų64.530%0.29635%0.349SS..PPolyproline II helixtrans-63.5145.6172-69.2-162.5172.1-172.50111R180 F311 K314 Q316R180-K294 PolarHBondContact NH1-O 2.87Å; R180-K294 PolarHBondContact NH2-O 3.27Å; K294-F311 HydrophobicContact CD-CD1 4.17Å; K294-K314 HydrophobicContact CB-CB 4.47Å; K294-K314 HydrophobicContact CD-CB 4.05Å; K294-K314 HydrophobicContact CG-CB 4.3Å; K294-K314 PolarHBondContact N-O 2.91Å; K294-Q316 HydrophobicContact CG-CB 4.18Å; K294-Q316 HydrophobicContact CG-CG 4.27Å
295P85.8Confident86.3Confident78 Ų7873.2 Ų73.251%0.50638%0.383SS..PPolyproline II helixtrans-57.2138.3170.5-23.633.7000110.9F298P295-F298 VanDerWaalsContact O-CZ 3.23Å; P295-F298 WeakPolarHBondContact O-CZ 3.41Å
296V85.3Confident86Confident8 Ų870.4 Ų70.45%0.04838%0.375CS..  trans-103.8-19.3-179.7-171.50000111.6P233 F298 A307 D308P233-V296 HydrophobicContact CG-CB 4.3Å; P233-V296 HydrophobicContact CG-CG1 3.93Å; V296-F298 WeakPolarHBondContact O-CD2 3.46Å; V296-A307 HydrophobicContact CG1-CB 4.44Å; V296-A307 WeakPolarHBondContact O-CA 3.44Å; V296-D308 WeakPolarHBondContact CG1-O 3.46Å; V296-D308 PolarHBondContact O-N 2.9Å
297L83.4Confident85.6Confident72 Ų7270.1 Ų70.138%0.37738%0.379SS..EExtended strand (participates in β ladder)trans-98.3121.5-175.6-69164.5000110.1L232 A307L232-L297 HydrophobicContact CB-CD1 4.36Å; L232-L297 HydrophobicContact CD1-CD1 3.76Å; L232-L297 HydrophobicContact CD1-CD2 4.24Å; L232-L297 HydrophobicContact CD2-CD1 4.4Å; L232-L297 HydrophobicContact CD2-CD2 3.46Å; L232-L297 VanDerWaalsContact CD2-CD2 3.46Å; L232-L297 HydrophobicContact CD2-CG 4.49Å; L232-L297 HydrophobicContact CG-CD1 4.37Å; L232-L297 HydrophobicContact CG-CD2 4.31Å; L297-A307 HydrophobicContact CD2-CB 3.96Å
298F83.4Confident85.2Confident84 Ų8472.2 Ų72.237%0.36839%0.39SS..EExtended strand (participates in β ladder)trans-122.6141.3176.7-55.8-79.2000109.4P295 V296 V306 D308 F311P295-F298 VanDerWaalsContact O-CZ 3.23Å; P295-F298 WeakPolarHBondContact O-CZ 3.41Å; V296-F298 WeakPolarHBondContact O-CD2 3.46Å; F298-V306 PolarHBondContact N-O 3.33Å; F298-V306 PolarHBondContact O-N 2.98Å; F298-D308 HydrophobicContact CD2-CB 4.13Å; F298-D308 HydrophobicContact CE2-CB 4.07Å; F298-F311 AromaticContact CE2-CD2 3.9Å; F298-F311 HydrophobicContact CE2-CD2 3.9Å; F298-F311 HydrophobicContact CE2-CE2 4.35Å; F298-F311 HydrophobicContact CE2-CG 4.37Å; F298-F311 HydrophobicContact CZ-CD2 4.17Å; F298-F311 HydrophobicContact CZ-CE2 4.46Å; F298-F311 HydrophobicContact CZ-CG 4.34Å
299S82.8Confident84.9Confident81 Ų8173.2 Ų73.257%0.56639%0.393SS*.EExtended strand (participates in β ladder)trans-86.2127.9170.5-174.90000108.9
300T83Confident84.7Confident39 Ų3976.3 Ų76.324%0.23941%0.413CS..  trans-76.1157.7169.861.40000110.5S302 G303 R304 V306T300-S302 PolarHBondContact O-N 3.28Å; T300-S302 VanDerWaalsContact O-N 3.08Å; T300-S302 PolarHBondContact OG1-OG 3.1Å; T300-G303 PolarHBondContact O-N 2.02Å; T300-R304 PolarHBondContact N-O 3.34Å; T300-R304 PolarHBondContact OG1-N 3.39Å; T300-R304 VanDerWaalsContact OG1-N 3.13Å; T300-R304 PolarHBondContact OG1-O 3.18Å; T300-V306 HydrophobicContact CG2-CB 4.33Å; T300-V306 HydrophobicContact CG2-CG2 3.55Å
301P81Confident84.5Confident148 Ų14878.7 Ų78.796%0.96142%0.421SS*.THydrogen-bonded Turntrans-58.3-20.7172.3-24.434.3000113.6G303P301-G303 VanDerWaalsContact C-N 3.31Å
302S81.9Confident84.4Confident93 Ų9374.9 Ų74.965%0.6541%0.406SS*.THydrogen-bonded Turntrans-84.66.7175.753.20000114.7T300 R304T300-S302 PolarHBondContact O-N 3.28Å; T300-S302 VanDerWaalsContact O-N 3.08Å; T300-S302 PolarHBondContact OG1-OG 3.1Å; S302-R304 PolarHBondContact O-N 3.48Å
303G81.1Confident84.4Confident58 Ų5875.4 Ų75.460%0.59841%0.411SS*.SBendtrans7713.4177.100000115.2T300 P301T300-G303 PolarHBondContact O-N 2.02Å; P301-G303 VanDerWaalsContact C-N 3.31Å
304R82.3Confident84.3Confident190 Ų19079 Ų7972%0.71743%0.426SS*.  trans-98.1139.5175.5-64.5-175.9179.81750.2110.1T300 S302T300-R304 PolarHBondContact N-O 3.34Å; T300-R304 PolarHBondContact OG1-N 3.39Å; T300-R304 VanDerWaalsContact OG1-N 3.13Å; T300-R304 PolarHBondContact OG1-O 3.18Å; S302-R304 PolarHBondContact O-N 3.48Å
305Y80.9Confident84.3Confident189 Ų18977.7 Ų77.774%0.74142%0.424SS*.EExtended strand (participates in β ladder)trans-80.8129.8169.6-67.1-76.9000110.2
306V82.6Confident84.5Confident74 Ų7477.3 Ų77.345%0.44842%0.415SS..EExtended strand (participates in β ladder)trans-122.6126.8175.9178.10000108.5F298 T300F298-V306 PolarHBondContact N-O 3.33Å; F298-V306 PolarHBondContact O-N 2.98Å; T300-V306 HydrophobicContact CG2-CB 4.33Å; T300-V306 HydrophobicContact CG2-CG2 3.55Å
307A82.7Confident84.5Confident33 Ų3381.8 Ų81.827%0.27344%0.438SS..EExtended strand (participates in β ladder)trans-90.8110.2172.600000109.4V296 L297 F309V296-A307 HydrophobicContact CG1-CB 4.44Å; V296-A307 WeakPolarHBondContact O-CA 3.44Å; L297-A307 HydrophobicContact CD2-CB 3.96Å; A307-F309 HydrophobicContact CB-CE2 4.45Å
308D84.5Confident84.4Confident50 Ų5078.8 Ų78.827%0.26742%0.423SS..  trans-92.9101.8178.2-174.4-4.1000111.3V296 F298 N310 F311V296-D308 WeakPolarHBondContact CG1-O 3.46Å; V296-D308 PolarHBondContact O-N 2.9Å; F298-D308 HydrophobicContact CD2-CB 4.13Å; F298-D308 HydrophobicContact CE2-CB 4.07Å; D308-N310 PolarHBondContact O-N 2.84Å; D308-N310 VanDerWaalsContact O-N 3.1Å; D308-N310 WeakPolarHBondContact OD1-CB 3.34Å; D308-N310 VanDerWaalsContact OD1-CG 3.31Å; D308-N310 PolarHBondContact OD1-N 2.92Å; D308-N310 PolarHBondContact OD1-ND2 2.93Å; D308-F311 HydrophobicContact CB-CD2 3.98Å; D308-F311 PolarHBondContact O-N 3.13Å; D308-F311 WeakPolarHBondContact OD2-CD2 3.45Å; D308-F311 VanDerWaalsContact OD2-CE2 3.28Å; D308-F311 WeakPolarHBondContact OD2-CE2 3.33Å
309F84.7Confident83.6Confident66 Ų6679.6 Ų79.629%0.28944%0.439SS..G310 helixtrans-64.4-12.4-180-78.6-92.8000114.5A182 M184 A307 F311 F312A182-F309 HydrophobicContact CB-CE1 3.73Å; A182-F309 HydrophobicContact CB-CZ 4.28Å; M184-F309 HydrophobicContact CG-CE1 4.37Å; A307-F309 HydrophobicContact CB-CE2 4.45Å; F309-F311 PolarHBondContact O-N 3.21Å; F309-F312 HydrophobicContact CD1-CB 4.26Å; F309-F312 HydrophobicContact CD1-CD2 4.39Å; F309-F312 HydrophobicContact CD1-CG 4.35Å; F309-F312 WeakPolarHBondContact O-CB 3.49Å; F309-F312 PolarHBondContact O-N 3.33Å; F309-F312 VanDerWaalsContact O-N 3.13Å
310N85.3Confident82.9Confident118 Ų11877.3 Ų77.363%0.63142%0.421SS*.G310 helixtrans-65.3-21.7171.4-64.2-43.8000112.5D308 K314D308-N310 PolarHBondContact O-N 2.84Å; D308-N310 VanDerWaalsContact O-N 3.1Å; D308-N310 WeakPolarHBondContact OD1-CB 3.34Å; D308-N310 VanDerWaalsContact OD1-CG 3.31Å; D308-N310 PolarHBondContact OD1-N 2.92Å; D308-N310 PolarHBondContact OD1-ND2 2.93Å; N310-K314 WeakPolarHBondContact O-CD 3.36Å; N310-K314 WeakPolarHBondContact O-CE 3.31Å
311F85.4Confident81.6Confident59 Ų5980 Ų8026%0.25944%0.439SS..G310 helixtrans-97.2-2.1175.7-65.2-86.7000113.2K294 F298 D308 F309 D313 K314K294-F311 HydrophobicContact CD-CD1 4.17Å; F298-F311 AromaticContact CE2-CD2 3.9Å; F298-F311 HydrophobicContact CE2-CD2 3.9Å; F298-F311 HydrophobicContact CE2-CE2 4.35Å; F298-F311 HydrophobicContact CE2-CG 4.37Å; F298-F311 HydrophobicContact CZ-CD2 4.17Å; F298-F311 HydrophobicContact CZ-CE2 4.46Å; F298-F311 HydrophobicContact CZ-CG 4.34Å; D308-F311 HydrophobicContact CB-CD2 3.98Å; D308-F311 PolarHBondContact O-N 3.13Å; D308-F311 WeakPolarHBondContact OD2-CD2 3.45Å; D308-F311 VanDerWaalsContact OD2-CE2 3.28Å; D308-F311 WeakPolarHBondContact OD2-CE2 3.33Å; F309-F311 PolarHBondContact O-N 3.21Å; F311-D313 PolarHBondContact O-N 2.97Å; F311-K314 HydrophobicContact CD1-CD 3.75Å; F311-K314 HydrophobicContact CE1-CD 4.18Å; F311-K314 HydrophobicContact CG-CD 4.43Å; F311-K314 PolarHBondContact O-N 3.05Å
312F87.4Confident80.6Confident0 Ų075.8 Ų75.80%041%0.411CS..THydrogen-bonded Turntrans-59.4-47.1-175.5179.4-98.1000112.5K161 R180 A182 P233 F309K161-F312 HydrophobicContact CD-CD1 4.07Å; K161-F312 HydrophobicContact CD-CE1 3.97Å; K161-F312 HydrophobicContact CG-CE1 3.9Å; K161-F312 HydrophobicContact CG-CZ 4.46Å; R180-F312 HydrophobicContact CB-CE2 4.43Å; R180-F312 HydrophobicContact CB-CZ 4.47Å; R180-F312 HydrophobicContact CG-CD2 4.31Å; R180-F312 HydrophobicContact CG-CE2 3.63Å; R180-F312 HydrophobicContact CG-CZ 4.12Å; R180-F312 PolarHBondContact NH1-O 3.13Å; A182-F312 HydrophobicContact CB-CD2 4.05Å; A182-F312 HydrophobicContact CB-CE2 3.38Å; A182-F312 HydrophobicContact CB-CZ 3.97Å; P233-F312 HydrophobicContact CB-CD2 4.14Å; P233-F312 HydrophobicContact CB-CE2 4.06Å; P233-F312 HydrophobicContact CG-CD2 4.34Å; F309-F312 HydrophobicContact CD1-CB 4.26Å; F309-F312 HydrophobicContact CD1-CD2 4.39Å; F309-F312 HydrophobicContact CD1-CG 4.35Å; F309-F312 WeakPolarHBondContact O-CB 3.49Å; F309-F312 PolarHBondContact O-N 3.33Å; F309-F312 VanDerWaalsContact O-N 3.13Å
313D88.6Confident79.5Confident57 Ų5772.5 Ų72.531%0.30539%0.385SS..THydrogen-bonded Turntrans-90.1-4.5-179.6-63.9-59.3000113K161 Q164 F311K161-D313 WeakPolarHBondContact CE-OD2 3.48Å; K161-D313 IonicContact NZ-OD2 2.93Å; K161-D313 PolarHBondContact NZ-OD2 3.36Å; Q164-D313 PolarHBondContact N-OD1 2.95Å; Q164-D313 VanDerWaalsContact N-OD1 3.14Å; F311-D313 PolarHBondContact O-N 2.97Å
314K89.1Confident78.1Confident95 Ų9573 Ų7341%0.41337%0.374SS..  trans-80.4129.5-176.6-69-175.4-177.9170.10110.6K294 N310 F311K294-K314 HydrophobicContact CB-CB 4.47Å; K294-K314 HydrophobicContact CD-CB 4.05Å; K294-K314 HydrophobicContact CG-CB 4.3Å; K294-K314 PolarHBondContact N-O 2.91Å; N310-K314 WeakPolarHBondContact O-CD 3.36Å; N310-K314 WeakPolarHBondContact O-CE 3.31Å; F311-K314 HydrophobicContact CD1-CD 3.75Å; F311-K314 HydrophobicContact CE1-CD 4.18Å; F311-K314 HydrophobicContact CG-CD 4.43Å; F311-K314 PolarHBondContact O-N 3.05Å
315V89.9Confident76.5Confident40 Ų4066.4 Ų66.424%0.24236%0.357CS..EExtended strand (participates in β ladder)trans-109.3156174.9-61.40000110.5V167 L288 Y291 E292 F293V167-V315 HydrophobicContact CG1-CB 4.48Å; V167-V315 HydrophobicContact CG1-CG1 3.61Å; L288-V315 HydrophobicContact CD1-CG1 4.3Å; L288-V315 HydrophobicContact CD1-CG2 3.79Å; Y291-V315 HydrophobicContact CD1-CB 4.1Å; Y291-V315 HydrophobicContact CD1-CG2 3.69Å; Y291-V315 HydrophobicContact CE1-CG2 4.29Å; Y291-V315 HydrophobicContact CG-CG2 4.36Å; E292-V315 CarbonylContact O-C 3.53Å; E292-V315 WeakPolarHBondContact O-CA 3.43Å; F293-V315 HydrophobicContact CD1-CG1 3.93Å; F293-V315 HydrophobicContact CE1-CG1 4.11Å
316Q88.7Confident75.1Confident70 Ų7062.8 Ų62.833%0.32735%0.35SS..EExtended strand (participates in β ladder)trans-128.8156.8170.766.4-170.619.700109.9Y291 E292 K294 S318Y291-Q316 CarbonylContact C-O 3.51Å; Y291-Q316 VanDerWaalsContact CA-O 3.27Å; Y291-Q316 WeakPolarHBondContact CA-O 3.42Å; Y291-Q316 WeakPolarHBondContact CD1-O 3.2Å; E292-Q316 HydrophobicContact CG-CG 3.41Å; E292-Q316 VanDerWaalsContact CG-CG 3.41Å; E292-Q316 PolarHBondContact N-O 3.5Å; E292-Q316 PolarHBondContact O-N 2.99Å; E292-Q316 PolarHBondContact OE1-NE2 3.46Å; K294-Q316 HydrophobicContact CG-CB 4.18Å; K294-Q316 HydrophobicContact CG-CG 4.27Å; Q316-S318 PolarHBondContact O-N 3.27Å
317L86.4Confident73.6Confident102 Ų10263.1 Ų63.153%0.53435%0.35SS..EExtended strand (participates in β ladder)trans-63.6132.7172.6-86.8143000108.8Y291Y291-L317 HydrophobicContact CE1-CG 4.05Å
318S80Confident71.9Confident8 Ų864.4 Ų64.46%0.05636%0.355CS..  trans-65.3140.5177.6-173.10000110G290 E292 Q316 D320 L324G290-S318 WeakPolarHBondContact O-CB 3.45Å; G290-S318 PolarHBondContact O-N 2.98Å; E292-S318 WeakPolarHBondContact OE2-CA 3.49Å; E292-S318 PolarHBondContact OE2-OG 3.15Å; Q316-S318 PolarHBondContact O-N 3.27Å; S318-D320 PolarHBondContact O-N 3.49Å; S318-L324 WeakPolarHBondContact O-CD1 3.26Å
319S67.2Low70.2Confident101 Ų10168 Ų6871%0.70637%0.37SS*.  trans-74.7-2.1179.653.10000113.7P321S319-P321 VanDerWaalsContact O-CD 3.3Å; S319-P321 WeakPolarHBondContact O-CD 3.45Å
320D67.5Low68.7Low34 Ų3468.3 Ų68.318%0.18237%0.371CS..  trans-70.6115-179.5-169.4-28.1000111.7R170 S318 T322 L323 L324R170-D320 WeakPolarHBondContact CB-OD2 3.01Å; R170-D320 WeakPolarHBondContact CD-OD2 3.41Å; S318-D320 PolarHBondContact O-N 3.49Å; D320-T322 VanDerWaalsContact CG-OG1 3.31Å; D320-T322 PolarHBondContact O-N 3.41Å; D320-T322 WeakPolarHBondContact OD1-CB 3.2Å; D320-T322 PolarHBondContact OD1-N 2.94Å; D320-T322 PolarHBondContact OD1-OG1 2.86Å; D320-T322 PolarHBondContact OD2-OG1 2.91Å; D320-L323 HydrophobicContact CB-CD1 4.28Å; D320-L323 PolarHBondContact O-N 3Å; D320-L324 PolarHBondContact O-N 2.93Å
321P57.4Low67.2Low95 Ų9567.5 Ų67.562%0.61737%0.366SS*.Hα-helixtrans-64.2-21.7-177.325-32.7000113.6S319 S325S319-P321 VanDerWaalsContact O-CD 3.3Å; S319-P321 WeakPolarHBondContact O-CD 3.45Å; P321-S325 WeakPolarHBondContact O-CB 3.26Å; P321-S325 PolarHBondContact O-N 3.37Å; P321-S325 PolarHBondContact O-OG 3.39Å
322T59.7Low65.6Low60 Ų6071.1 Ų71.137%0.36838%0.382SS..Hα-helixtrans-77.8-27.2-178.861.90000113.5R170 D320 S325R170-T322 PolarHBondContact NH1-OG1 3.25Å; R170-T322 VanDerWaalsContact NH1-OG1 3.16Å; D320-T322 VanDerWaalsContact CG-OG1 3.31Å; D320-T322 PolarHBondContact O-N 3.41Å; D320-T322 WeakPolarHBondContact OD1-CB 3.2Å; D320-T322 PolarHBondContact OD1-N 2.94Å; D320-T322 PolarHBondContact OD1-OG1 2.86Å; D320-T322 PolarHBondContact OD2-OG1 2.91Å; T322-S325 PolarHBondContact O-OG 2.93Å; T322-S325 VanDerWaalsContact O-OG 3.13Å
323L58.8Low63.9Low23 Ų2376.9 Ų76.912%0.1241%0.412CS..Hα-helixtrans-82-32.8172.2-76.8161.4000111.1R170 L175 W289 D320R170-L323 HydrophobicContact CG-CD1 4.32Å; L175-L323 HydrophobicContact CD1-CD2 4.46Å; W289-L323 HydrophobicContact CZ2-CD2 4.34Å; D320-L323 HydrophobicContact CB-CD1 4.28Å; D320-L323 PolarHBondContact O-N 3Å
324L52.2Low62.3Low70 Ų7079 Ų7937%0.36642%0.42SS..Hα-helixtrans-71-36.2173-90.2148000113S318 D320 N327 T328S318-L324 WeakPolarHBondContact O-CD1 3.26Å; D320-L324 PolarHBondContact O-N 2.93Å; L324-N327 PolarHBondContact O-N 3.17Å; L324-T328 WeakPolarHBondContact O-CB 3.46Å; L324-T328 PolarHBondContact O-N 2.91Å; L324-T328 PolarHBondContact O-OG1 2.77Å
325S48.3Very low60.8Low50 Ų5080.3 Ų80.335%0.3543%0.427SS..Hα-helixtrans-64.2-43.8-178.766.50000112.3P321 T322 N327 T328 E329P321-S325 WeakPolarHBondContact O-CB 3.26Å; P321-S325 PolarHBondContact O-N 3.37Å; P321-S325 PolarHBondContact O-OG 3.39Å; T322-S325 PolarHBondContact O-OG 2.93Å; T322-S325 VanDerWaalsContact O-OG 3.13Å; S325-N327 PolarHBondContact O-N 2.73Å; S325-T328 PolarHBondContact O-N 3.41Å; S325-T328 VanDerWaalsContact O-N 3.16Å; S325-E329 WeakPolarHBondContact O-CB 3.42Å; S325-E329 PolarHBondContact O-N 2.7Å
326N51.1Low59.6Low113 Ų11382.5 Ų82.560%0.60444%0.441SS*.Hα-helixtrans-61-33.9175-79.8-8.3000112.4K330N326-K330 WeakPolarHBondContact O-CB 3.32Å; N326-K330 PolarHBondContact O-N 3.29Å
327N50.2Low58.1Low81 Ų8188.1 Ų88.143%0.43346%0.46SS..Hα-helixtrans-77.7-36.3175.8-113.9-7.1000112.2L324 S325 L331L324-N327 PolarHBondContact O-N 3.17Å; S325-N327 PolarHBondContact O-N 2.73Å; N327-L331 WeakPolarHBondContact O-CB 3.36Å; N327-L331 WeakPolarHBondContact O-CD1 3.5Å; N327-L331 WeakPolarHBondContact O-CG 3.07Å; N327-L331 PolarHBondContact O-N 2.99Å
328T47.2Very low56.7Low61 Ų6191.8 Ų91.837%0.37447%0.472SS..Hα-helixtrans-77.4-39.6-176-49.90000112L324 S325 K330 K332L324-T328 WeakPolarHBondContact O-CB 3.46Å; L324-T328 PolarHBondContact O-N 2.91Å; L324-T328 PolarHBondContact O-OG1 2.77Å; S325-T328 PolarHBondContact O-N 3.41Å; S325-T328 VanDerWaalsContact O-N 3.16Å; T328-K330 VanDerWaalsContact C-N 3.33Å; T328-K332 WeakPolarHBondContact O-CB 3.47Å; T328-K332 VanDerWaalsContact O-CG 3.26Å; T328-K332 WeakPolarHBondContact O-CG 3.28Å; T328-K332 PolarHBondContact O-N 3.43Å
329E49.3Very low55.4Low125 Ų12599.8 Ų99.858%0.58451%0.506SS*.Hα-helixtrans-64.9-39.6171.3-74.1-175.7160.500111.2S325 K332 L333S325-E329 WeakPolarHBondContact O-CB 3.42Å; S325-E329 PolarHBondContact O-N 2.7Å; E329-K332 PolarHBondContact O-N 3.19Å; E329-L333 WeakPolarHBondContact O-CB 3.49Å; E329-L333 WeakPolarHBondContact O-CD1 3.35Å; E329-L333 WeakPolarHBondContact O-CG 3.17Å; E329-L333 PolarHBondContact O-N 2.91Å
330K53.3Low54.3Low72 Ų72104.7 Ų104.731%0.31352%0.518SS..Hα-helixtrans-65.9-43.7175.8-173.3173177.9171.10113E252 N326 T328 K332 L333 E334E252-K330 IonicContact OE1-NZ 2.66Å; E252-K330 PolarHBondContact OE1-NZ 3.01Å; N326-K330 WeakPolarHBondContact O-CB 3.32Å; N326-K330 PolarHBondContact O-N 3.29Å; T328-K330 VanDerWaalsContact C-N 3.33Å; K330-K332 VanDerWaalsContact C-N 3.3Å; K330-K332 PolarHBondContact O-N 3.45Å; K330-L333 PolarHBondContact O-N 3.12Å; K330-E334 WeakPolarHBondContact CE-OE1 3.45Å; K330-E334 WeakPolarHBondContact O-CG 3.15Å; K330-E334 PolarHBondContact O-N 3.3Å
331L54.4Low53.6Low101 Ų101108.3 Ų108.353%0.52953%0.534SS..Hα-helixtrans-61.6-39.1174.2-77.5164.3000111.7N327 E335N327-L331 WeakPolarHBondContact O-CB 3.36Å; N327-L331 WeakPolarHBondContact O-CD1 3.5Å; N327-L331 WeakPolarHBondContact O-CG 3.07Å; N327-L331 PolarHBondContact O-N 2.99Å; L331-E335 WeakPolarHBondContact O-CG 3.2Å; L331-E335 PolarHBondContact O-N 2.9Å
332K50.8Low53.4Low135 Ų135108.9 Ų108.959%0.58753%0.53SS*.Hα-helixtrans-65.5-41.2174.2-74.5173.6179.3-179.60112.2T328 E329 K330 E335 V336T328-K332 WeakPolarHBondContact O-CB 3.47Å; T328-K332 VanDerWaalsContact O-CG 3.26Å; T328-K332 WeakPolarHBondContact O-CG 3.28Å; T328-K332 PolarHBondContact O-N 3.43Å; E329-K332 PolarHBondContact O-N 3.19Å; K330-K332 VanDerWaalsContact C-N 3.3Å; K330-K332 PolarHBondContact O-N 3.45Å; K332-E335 PolarHBondContact O-N 2.81Å; K332-V336 VanDerWaalsContact O-CG2 3.28Å; K332-V336 WeakPolarHBondContact O-CG2 3.24Å; K332-V336 PolarHBondContact O-N 2.71Å
333L52.4Low53.1Low121 Ų121111.7 Ų111.763%0.63454%0.539SS*.Hα-helixtrans-67.5-38.9176.6-79.1158.4000112.3E329 K330 E335 V336 Y337E329-L333 WeakPolarHBondContact O-CB 3.49Å; E329-L333 WeakPolarHBondContact O-CD1 3.35Å; E329-L333 WeakPolarHBondContact O-CG 3.17Å; E329-L333 PolarHBondContact O-N 2.91Å; K330-L333 PolarHBondContact O-N 3.12Å; L333-E335 VanDerWaalsContact C-N 3.35Å; L333-V336 PolarHBondContact O-N 3.03Å; L333-Y337 WeakPolarHBondContact O-CB 3.3Å; L333-Y337 PolarHBondContact O-N 3.2Å
334E55.5Low52.7Low101 Ų101116.9 Ų116.947%0.47256%0.564SS.*Hα-helixtrans-67.3-33.1174.5-75.8-178.7-175.700112.6K330 K338K330-E334 WeakPolarHBondContact CE-OE1 3.45Å; K330-E334 WeakPolarHBondContact O-CG 3.15Å; K330-E334 PolarHBondContact O-N 3.3Å; E334-K338 WeakPolarHBondContact O-CB 3.38Å; E334-K338 PolarHBondContact O-N 2.67Å
335E57.5Low52.8Low123 Ų123119.8 Ų119.858%0.57558%0.576SS**Hα-helixtrans-71.8-33.3172.4-79.8-172172.500113.3L331 K332 L333 K339L331-E335 WeakPolarHBondContact O-CG 3.2Å; L331-E335 PolarHBondContact O-N 2.9Å; K332-E335 PolarHBondContact O-N 2.81Å; L333-E335 VanDerWaalsContact C-N 3.35Å; E335-K339 WeakPolarHBondContact O-CG 3.5Å
336V63.3Low53.1Low87 Ų87124.5 Ų124.553%0.52759%0.591SS.*Hα-helixtrans-69.7-44.3174.1171.30000110.3K332 L333 K338 K339 E340K332-V336 VanDerWaalsContact O-CG2 3.28Å; K332-V336 WeakPolarHBondContact O-CG2 3.24Å; K332-V336 PolarHBondContact O-N 2.71Å; L333-V336 PolarHBondContact O-N 3.03Å; V336-K338 VanDerWaalsContact C-N 3.26Å; V336-K338 PolarHBondContact O-N 3.36Å; V336-K339 PolarHBondContact O-N 2.77Å; V336-E340 PolarHBondContact O-N 2.94Å
337Y58.2Low53.2Low187 Ų187125.3 Ų125.373%0.73359%0.59SS**Hα-helixtrans-68.6-21.6179.3-156.9-95.4000114L333 K339L333-Y337 WeakPolarHBondContact O-CB 3.3Å; L333-Y337 PolarHBondContact O-N 3.2Å; Y337-K339 VanDerWaalsContact C-N 3.35Å
338K57.3Low53.5Low180 Ų180128.7 Ų128.778%0.78360%0.602SS**THydrogen-bonded Turntrans-82.2-11.9172.6-90.7179.1176172.80114E334 V336E334-K338 WeakPolarHBondContact O-CB 3.38Å; E334-K338 PolarHBondContact O-N 2.67Å; V336-K338 VanDerWaalsContact C-N 3.26Å; V336-K338 PolarHBondContact O-N 3.36Å
339K53.1Low54Low176 Ų176134.3 Ų134.377%0.76562%0.621SS**THydrogen-bonded Turntrans-100.8-12.2-178.6-76.8177.3179.1173.50113.1E335 V336 Y337E335-K339 WeakPolarHBondContact O-CG 3.5Å; V336-K339 PolarHBondContact O-N 2.77Å; Y337-K339 VanDerWaalsContact C-N 3.35Å
340E42.9Very low54.4Low204 Ų204135.2 Ų135.295%0.95363%0.625SS**  trans-88.30160.4-65.1-177.3161.800109.7V336V336-E340 PolarHBondContact O-N 2.94Å

Retrieved 340 of 340 residues in 357.8 ms (Link to these results)

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