A0A3B3VQV6_9TELE Loading...

Phospholipase A2

AlphaFold DB , UniProt , Accession A0A3B3VQV6, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 149 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
1M42.5Very low48.8Very low227 Ų227159.5 Ų159.5100%1.11884%0.835SS**  0135.90-74.9163.357.800107.9
2N35Very low49.5Very low152 Ų152156.2 Ų156.281%0.81383%0.825SS**  trans83.989.6171.1-54.1-3.6000114.4
3A45.9Very low50Low90 Ų90148.6 Ų148.674%0.74481%0.808SS**  96.285.480.200000110.7Q5A3-Q5 PolarHBondContact O-N 3.3Å
4F52.1Low50.2Low215 Ų215148.9 Ų148.994%0.94381%0.807SS**  trans-81.4107.2164.3-80.3-81.5000107.9T6F4-T6 PolarHBondContact O-N 2.98Å
5Q47.2Very low50.7Low182 Ų182146.5 Ų146.585%0.8581%0.806SS**  trans-73.7117.2172.4-74.4-176.9-4500109.4A3 I7A3-Q5 PolarHBondContact O-N 3.3Å; Q5-I7 PolarHBondContact O-N 3.17Å
6T51Low50.6Low128 Ų128143.3 Ų143.379%0.78579%0.792SS**  trans-68.7114.3165.634.30000109.7F4 F8F4-T6 PolarHBondContact O-N 2.98Å; T6-F8 PolarHBondContact O-N 3.04Å
7I56.6Low50.7Low147 Ų147140.2 Ų140.275%0.75479%0.789SS**  trans-77.3106.1169.6-64.7172.7000107.5Q5 L9Q5-I7 PolarHBondContact O-N 3.17Å; I7-L9 HydrophobicContact CG2-CG 4.27Å; I7-L9 PolarHBondContact O-N 3.14Å
8F51.4Low50.5Low184 Ų184141.2 Ų141.281%0.80779%0.786SS**  trans-77.9103.7165.5-112.9-97.1000107.7T6 L10T6-F8 PolarHBondContact O-N 3.04Å; F8-L10 PolarHBondContact O-N 3.49Å
9L49.3Very low50.5Low149 Ų149138.8 Ų138.878%0.7878%0.78SS**  trans-72.593.9167.2-75.9165.4000107.9I7 T11I7-L9 HydrophobicContact CG2-CG 4.27Å; I7-L9 PolarHBondContact O-N 3.14Å; L9-T11 VanDerWaalsContact C-N 3.29Å; L9-T11 PolarHBondContact O-N 2.88Å
10L51.3Low50.5Low151 Ų151138.2 Ų138.279%0.79177%0.774SS**  trans-69.591.5162.9-82.4159.5000107.3F8 V12F8-L10 PolarHBondContact O-N 3.49Å; L10-V12 VanDerWaalsContact C-N 3.29Å; L10-V12 PolarHBondContact O-N 3.44Å
11T54.9Low50.7Low130 Ų130135.3 Ų135.380%0.79876%0.757SS**  trans-65.396.9162.950.90000107L9 G13L9-T11 VanDerWaalsContact C-N 3.29Å; L9-T11 PolarHBondContact O-N 2.88Å; T11-G13 PolarHBondContact O-N 2.86Å
12V56.6Low51.9Low119 Ų119130.3 Ų130.372%0.72173%0.726SS**  trans-65.295.4164.2179.30000105.5L10 L14L10-V12 VanDerWaalsContact C-N 3.29Å; L10-V12 PolarHBondContact O-N 3.44Å; V12-L14 PolarHBondContact O-N 2.84Å
13G56.5Low54Low58 Ų58128.2 Ų128.260%0.59871%0.71SS**  trans-61.2106.2164.200000106.7T11 S15T11-G13 PolarHBondContact O-N 2.86Å; G13-S15 PolarHBondContact O-N 2.85Å
14L53.2Low55.9Low152 Ų152124 Ų12480%0.79668%0.675SS**  trans-65.194162.3-91.7116.6000106.3V12 V16V12-L14 PolarHBondContact O-N 2.84Å; L14-V16 PolarHBondContact O-N 2.74Å
15S56.6Low57.7Low113 Ų113116.7 Ų116.779%0.7965%0.646SS**  trans-62.492.4158-47.60000106G13 A17G13-S15 PolarHBondContact O-N 2.85Å; S15-A17 PolarHBondContact O-N 3.01Å
16V50Low59.9Low96 Ų96114 Ų11458%0.58263%0.633SS**  trans-67.890.9161.4-174.10000104.4L14 H18L14-V16 PolarHBondContact O-N 2.74Å; V16-H18 PolarHBondContact O-N 2.95Å
17A51.3Low62.1Low90 Ų90109.5 Ų109.574%0.74460%0.603SS**  trans-62.295157.800000104.6S15 S19S15-A17 PolarHBondContact O-N 3.01Å; A17-S19 PolarHBondContact O-N 3.05Å
18H47.2Very low64.1Low158 Ų158103.6 Ų103.673%0.73157%0.572SS**  trans-60.4101163.8-67.8105.3000104.7V16 L20V16-H18 PolarHBondContact O-N 2.95Å; H18-L20 PolarHBondContact O-N 3.35Å
19S51.9Low66.3Low97 Ų97100.4 Ų100.468%0.67855%0.554SS**  trans-52.8116.7161.345.20000105.2A17 D21A17-S19 PolarHBondContact O-N 3.05Å; S19-D21 VanDerWaalsContact C-N 3.3Å; S19-D21 PolarHBondContact O-N 3.39Å
20L50.4Low68.6Low125 Ų12594.8 Ų94.865%0.65453%0.529SS*.  trans-54.6106.7166.7-67.8173.2000105.4H18 Y22H18-L20 PolarHBondContact O-N 3.35Å; L20-Y22 HydrophobicContact CB-CE2 4.45Å; L20-Y22 VanDerWaalsContact O-CD2 3.25Å; L20-Y22 WeakPolarHBondContact O-CD2 3.33Å; L20-Y22 PolarHBondContact O-N 3.31Å; L20-Y22 VanDerWaalsContact O-N 3.1Å
21D54.3Low70.9Confident78 Ų7887.6 Ų87.642%0.41749%0.492SS..  trans-81.496.2-168.7-162.2-1.4000106.2S19 K23S19-D21 VanDerWaalsContact C-N 3.3Å; S19-D21 PolarHBondContact O-N 3.39Å; D21-K23 HydrophobicContact CB-CD 4.48Å; D21-K23 PolarHBondContact O-N 3.46Å; D21-K23 WeakPolarHBondContact OD1-CG 3.47Å; D21-K23 WeakPolarHBondContact OD2-CD 3.42Å; D21-K23 WeakPolarHBondContact OD2-CE 3.01Å; D21-K23 IonicContact OD2-NZ 3.28Å; D21-K23 PolarHBondContact OD2-NZ 2.89Å
22Y67.8Low73Confident122 Ų12281.7 Ų81.748%0.47846%0.455SS..  trans-72.139.1-178.3-63.6-75000112.5L20 A24 L25 H26L20-Y22 HydrophobicContact CB-CE2 4.45Å; L20-Y22 VanDerWaalsContact O-CD2 3.25Å; L20-Y22 WeakPolarHBondContact O-CD2 3.33Å; L20-Y22 PolarHBondContact O-N 3.31Å; L20-Y22 VanDerWaalsContact O-N 3.1Å; Y22-A24 VanDerWaalsContact C-N 3.25Å; Y22-A24 PolarHBondContact O-N 2.84Å; Y22-L25 HydrophobicContact CD1-CD1 3.69Å; Y22-L25 HydrophobicContact CE1-CD1 4.41Å; Y22-L25 HydrophobicContact CG-CD1 4.23Å; Y22-L25 PolarHBondContact O-N 3.45Å; Y22-L25 VanDerWaalsContact O-N 3.15Å; Y22-H26 PolarHBondContact O-CD2 3.43Å; Y22-H26 VanDerWaalsContact O-CD2 3.32Å; Y22-H26 PolarHBondContact O-N 3.44Å; Y22-H26 VanDerWaalsContact O-N 3.07Å
23K78.8Confident75Confident109 Ų10978.2 Ų78.247%0.47443%0.432SS..Hα-helixtrans-54.9-40.2-178.6-85.1165.8172.4157.80112.1D21 H26 Q27 V95D21-K23 HydrophobicContact CB-CD 4.48Å; D21-K23 PolarHBondContact O-N 3.46Å; D21-K23 WeakPolarHBondContact OD1-CG 3.47Å; D21-K23 WeakPolarHBondContact OD2-CD 3.42Å; D21-K23 WeakPolarHBondContact OD2-CE 3.01Å; D21-K23 IonicContact OD2-NZ 3.28Å; D21-K23 PolarHBondContact OD2-NZ 2.89Å; K23-H26 WeakPolarHBondContact O-CB 3.28Å; K23-H26 PolarHBondContact O-N 2.99Å; K23-Q27 WeakPolarHBondContact O-CG 3.42Å; K23-Q27 PolarHBondContact O-N 3.02Å; K23-V95 HydrophobicContact CB-CG2 3.49Å; K23-V95 VanDerWaalsContact CB-CG2 3.49Å; K23-V95 HydrophobicContact CD-CG2 4.23Å; K23-V95 HydrophobicContact CG-CG2 4.48Å
24A85Confident77Confident0 Ų075.8 Ų75.80%041%0.406CS..Hα-helixtrans-63.1-45.817700000112.3Y22 H26 Q27 F28 E94Y22-A24 VanDerWaalsContact C-N 3.25Å; Y22-A24 PolarHBondContact O-N 2.84Å; A24-H26 PolarHBondContact O-N 2.88Å; A24-Q27 CarbonylContact O-C 3.52Å; A24-Q27 WeakPolarHBondContact O-CA 3.03Å; A24-Q27 VanDerWaalsContact O-CB 3.3Å; A24-Q27 WeakPolarHBondContact O-CB 3.31Å; A24-Q27 PolarHBondContact O-N 3.24Å; A24-F28 PolarHBondContact O-N 2.98Å; A24-E94 WeakPolarHBondContact CB-O 3.22Å
25L90.6Very high79.1Confident63 Ų6369.6 Ų69.633%0.3337%0.373SS..Hα-helixtrans-60.8-32.8173.9-74177.5000112.5Y22 Q27 F28 R29 Y92Y22-L25 HydrophobicContact CD1-CD1 3.69Å; Y22-L25 HydrophobicContact CE1-CD1 4.41Å; Y22-L25 HydrophobicContact CG-CD1 4.23Å; Y22-L25 PolarHBondContact O-N 3.45Å; Y22-L25 VanDerWaalsContact O-N 3.15Å; L25-Q27 VanDerWaalsContact C-N 3.32Å; L25-F28 PolarHBondContact O-N 3.44Å; L25-R29 WeakPolarHBondContact O-CB 3.44Å; L25-R29 PolarHBondContact O-N 3.32Å; L25-Y92 HydrophobicContact CD1-CD1 4.38Å; L25-Y92 HydrophobicContact CD2-CD1 3.97Å; L25-Y92 HydrophobicContact CG-CD1 4.34Å
26H94.2Very high81.1Confident125 Ų12566.1 Ų66.158%0.57935%0.346SS*.Hα-helixtrans-66.7-33.2171.2-70.9-53.8000112.7Y22 K23 A24 A30Y22-H26 PolarHBondContact O-CD2 3.43Å; Y22-H26 VanDerWaalsContact O-CD2 3.32Å; Y22-H26 PolarHBondContact O-N 3.44Å; Y22-H26 VanDerWaalsContact O-N 3.07Å; K23-H26 WeakPolarHBondContact O-CB 3.28Å; K23-H26 PolarHBondContact O-N 2.99Å; A24-H26 PolarHBondContact O-N 2.88Å; H26-A30 WeakPolarHBondContact O-CB 3.48Å; H26-A30 PolarHBondContact O-N 3.11Å
27Q97.3Very high83.4Confident33 Ų3364.3 Ų64.315%0.15434%0.336CS..Hα-helixtrans-68.7-43.1172.6-64.5-178.5-56.500111.4K23 A24 L25 R29 A30 M31 Y96 Y98K23-Q27 WeakPolarHBondContact O-CG 3.42Å; K23-Q27 PolarHBondContact O-N 3.02Å; A24-Q27 CarbonylContact O-C 3.52Å; A24-Q27 WeakPolarHBondContact O-CA 3.03Å; A24-Q27 VanDerWaalsContact O-CB 3.3Å; A24-Q27 WeakPolarHBondContact O-CB 3.31Å; A24-Q27 PolarHBondContact O-N 3.24Å; L25-Q27 VanDerWaalsContact C-N 3.32Å; Q27-R29 PolarHBondContact O-N 2.04Å; Q27-A30 CarbonylContact O-C 3.58Å; Q27-A30 WeakPolarHBondContact O-CB 3.18Å; Q27-A30 PolarHBondContact O-N 2.92Å; Q27-M31 PolarHBondContact O-N 3.25Å; Q27-Y96 HydrophobicContact CB-CE2 3.75Å; Q27-Y96 WeakPolarHBondContact CB-OH 3.37Å; Q27-Y96 HydrophobicContact CG-CE2 4.49Å; Q27-Y96 PolarHBondContact NE2-O 3.31Å; Q27-Y98 HydrophobicContact CB-CE1 3.99Å; Q27-Y98 HydrophobicContact CG-CE1 4.16Å
28F97.9Very high85.5Confident23 Ų2367.2 Ų67.210%0.10134%0.339CS..Hα-helixtrans-59.4-46.7174-177.1-148.6000111.6A24 L25 A30 M31 I32 H71 Y96 D124 A127 A128 F131A24-F28 PolarHBondContact O-N 2.98Å; L25-F28 PolarHBondContact O-N 3.44Å; F28-A30 PolarHBondContact O-N 3.04Å; F28-M31 WeakPolarHBondContact O-CB 3.4Å; F28-M31 PolarHBondContact O-N 3.13Å; F28-I32 HydrophobicContact CD1-CD1 4.36Å; F28-I32 HydrophobicContact CD2-CD1 4.18Å; F28-I32 HydrophobicContact CD2-CG1 4.11Å; F28-I32 HydrophobicContact CE1-CD1 4.06Å; F28-I32 HydrophobicContact CE2-CD1 3.86Å; F28-I32 HydrophobicContact CE2-CG1 3.79Å; F28-I32 HydrophobicContact CG-CD1 4.42Å; F28-I32 HydrophobicContact CZ-CD1 3.8Å; F28-I32 HydrophobicContact CZ-CG1 4.2Å; F28-I32 WeakPolarHBondContact O-CG1 3.47Å; F28-I32 PolarHBondContact O-N 2.9Å; F28-H71 AromaticContact CE1-CE1 3.79Å; F28-Y96 PolarHBondContact N-OH 3.27Å; F28-D124 HydrophobicContact CB-CB 4.29Å; F28-D124 WeakPolarHBondContact CB-OD2 3.45Å; F28-D124 HydrophobicContact CD2-CB 3.63Å; F28-D124 HydrophobicContact CE2-CB 4.29Å; F28-D124 WeakPolarHBondContact CE2-O 3.45Å; F28-D124 HydrophobicContact CG-CB 4.16Å; F28-A127 HydrophobicContact CE2-CB 3.77Å; F28-A127 HydrophobicContact CZ-CB 3.73Å; F28-A128 HydrophobicContact CE2-CB 4.46Å; F28-F131 AromaticContact CZ-CE2 3.81Å; F28-F131 HydrophobicContact CZ-CE2 3.81Å; F28-F131 HydrophobicContact CZ-CZ 4.13Å
29R97.7Very high87.9Confident118 Ų11860.4 Ų60.445%0.44531%0.309SS..Hα-helixtrans-54.2-42.5173.3178-177175.4-77.6-4.4111.9L25 Q27 I32 L33 P41L25-R29 WeakPolarHBondContact O-CB 3.44Å; L25-R29 PolarHBondContact O-N 3.32Å; Q27-R29 PolarHBondContact O-N 2.04Å; R29-I32 PolarHBondContact O-N 2.9Å; R29-L33 HydrophobicContact CG-CD1 4.41Å; R29-L33 VanDerWaalsContact NH1-CD1 3.33Å; R29-L33 WeakPolarHBondContact O-CG 3.08Å; R29-L33 PolarHBondContact O-N 3.02Å; R29-P41 HydrophobicContact CG-CB 4.21Å; R29-P41 HydrophobicContact CG-CG 4.2Å
30A98.2Very high90.1Very high31 Ų3164.3 Ų64.326%0.25631%0.309SS..Hα-helixtrans-69.1-34.4178.800000112.4H26 Q27 F28 L33 C34 Y98H26-A30 WeakPolarHBondContact O-CB 3.48Å; H26-A30 PolarHBondContact O-N 3.11Å; Q27-A30 CarbonylContact O-C 3.58Å; Q27-A30 WeakPolarHBondContact O-CB 3.18Å; Q27-A30 PolarHBondContact O-N 2.92Å; F28-A30 PolarHBondContact O-N 3.04Å; A30-L33 PolarHBondContact O-N 2.81Å; A30-C34 PolarHBondContact O-N 2.91Å; A30-Y98 WeakPolarHBondContact CB-OH 3.39Å
31M98.7Very high92.3Very high0 Ų058.8 Ų58.80%028%0.281CS..Hα-helixtrans-63.3-42.5170.5-70.1-169.217500112.1Q27 F28 L33 C34 M35 Y96 Y98 L107 D124 R125 A128Q27-M31 PolarHBondContact O-N 3.25Å; F28-M31 WeakPolarHBondContact O-CB 3.4Å; F28-M31 PolarHBondContact O-N 3.13Å; M31-L33 VanDerWaalsContact C-N 3.35Å; M31-L33 PolarHBondContact O-N 3.26Å; M31-C34 VanDerWaalsContact O-CB 3.27Å; M31-C34 WeakPolarHBondContact O-CB 3.44Å; M31-C34 PolarHBondContact O-N 3.11Å; M31-M35 PolarHBondContact O-N 2.89Å; M31-Y96 HydrophobicContact CE-CD2 4.24Å; M31-Y96 HydrophobicContact CE-CE2 3.47Å; M31-Y96 VanDerWaalsContact CE-CE2 3.47Å; M31-Y98 VanDerWaalsContact CE-CB 3.45Å; M31-Y98 HydrophobicContact CE-CD1 3.78Å; M31-Y98 HydrophobicContact CE-CD2 3.7Å; M31-Y98 HydrophobicContact CE-CE1 4.47Å; M31-Y98 HydrophobicContact CE-CE2 4.41Å; M31-Y98 HydrophobicContact CE-CG 3.36Å; M31-Y98 HydrophobicContact CG-CD2 4.04Å; M31-Y98 HydrophobicContact CG-CE2 3.91Å; M31-L107 HydrophobicContact CB-CD1 3.76Å; M31-L107 HydrophobicContact CB-CD2 4.18Å; M31-L107 HydrophobicContact CG-CD1 4.12Å; M31-L107 HydrophobicContact CG-CD2 3.9Å; M31-L107 HydrophobicContact SD-CD1 4.42Å; M31-D124 HydrophobicContact SD-CB 3.71Å; M31-R125 HydrophobicContact SD-CB 4.22Å; M31-R125 PolarHBondContact SD-N 3.39Å; M31-A128 HydrophobicContact CB-CB 3.94Å
32I98.6Very high94.2Very high6 Ų658.4 Ų58.43%0.03129%0.288CS..Hα-helixtrans-60.3-47.1175.2-61.3166.9000110F28 R29 C34 M35 L36 P41 Y45 A128 F131F28-I32 HydrophobicContact CD1-CD1 4.36Å; F28-I32 HydrophobicContact CD2-CD1 4.18Å; F28-I32 HydrophobicContact CD2-CG1 4.11Å; F28-I32 HydrophobicContact CE1-CD1 4.06Å; F28-I32 HydrophobicContact CE2-CD1 3.86Å; F28-I32 HydrophobicContact CE2-CG1 3.79Å; F28-I32 HydrophobicContact CG-CD1 4.42Å; F28-I32 HydrophobicContact CZ-CD1 3.8Å; F28-I32 HydrophobicContact CZ-CG1 4.2Å; F28-I32 WeakPolarHBondContact O-CG1 3.47Å; F28-I32 PolarHBondContact O-N 2.9Å; R29-I32 PolarHBondContact O-N 2.9Å; I32-C34 VanDerWaalsContact C-N 3.28Å; I32-C34 PolarHBondContact O-N 2.94Å; I32-M35 PolarHBondContact O-N 3.47Å; I32-L36 HydrophobicContact CG2-CD1 4.31Å; I32-L36 WeakPolarHBondContact O-CB 3.49Å; I32-L36 PolarHBondContact O-N 3.45Å; I32-P41 HydrophobicContact CB-CB 4.23Å; I32-P41 HydrophobicContact CB-CG 4Å; I32-P41 HydrophobicContact CD1-CB 3.99Å; I32-P41 HydrophobicContact CG2-CB 3.97Å; I32-P41 HydrophobicContact CG2-CG 3.67Å; I32-Y45 HydrophobicContact CD1-CD2 4.41Å; I32-Y45 HydrophobicContact CG2-CD2 3.94Å; I32-Y45 HydrophobicContact CG2-CE2 3.65Å; I32-A128 HydrophobicContact CG1-CB 4.2Å; I32-F131 HydrophobicContact CD1-CD2 4.02Å; I32-F131 HydrophobicContact CD1-CE2 3.79Å; I32-F131 HydrophobicContact CG1-CD2 4Å; I32-F131 HydrophobicContact CG1-CE2 4.2Å; I32-F131 HydrophobicContact CG2-CD2 4.42Å
33L98.5Very high95.5Very high46 Ų4657.5 Ų57.524%0.24129%0.291CS..Hα-helixtrans-64.3-30.2177.5-71171.9000113.6R29 A30 M31 M35 L36 P37 P41R29-L33 HydrophobicContact CG-CD1 4.41Å; R29-L33 VanDerWaalsContact NH1-CD1 3.33Å; R29-L33 WeakPolarHBondContact O-CG 3.08Å; R29-L33 PolarHBondContact O-N 3.02Å; A30-L33 PolarHBondContact O-N 2.81Å; M31-L33 VanDerWaalsContact C-N 3.35Å; M31-L33 PolarHBondContact O-N 3.26Å; L33-M35 VanDerWaalsContact C-N 3.28Å; L33-M35 PolarHBondContact O-N 3.14Å; L33-L36 CarbonylContact O-C 3.36Å; L33-P37 WeakPolarHBondContact O-CA 3.35Å; L33-P41 HydrophobicContact CD2-CG 3.97Å; L33-P41 HydrophobicContact CG-CG 3.98Å
34C98.6Very high96.3Very high6 Ų653.7 Ų53.74%0.04128%0.276CS..Hα-helixtrans-59.3-42.9171.9179.70000111A30 M31 I32 C100 R105 L107A30-C34 PolarHBondContact O-N 2.91Å; M31-C34 VanDerWaalsContact O-CB 3.27Å; M31-C34 WeakPolarHBondContact O-CB 3.44Å; M31-C34 PolarHBondContact O-N 3.11Å; I32-C34 VanDerWaalsContact C-N 3.28Å; I32-C34 PolarHBondContact O-N 2.94Å; C34-C100 HydrophobicContact CB-CB 3.82Å; C34-C100 WeakPolarHBondContact CB-SG 3.19Å; C34-C100 WeakPolarHBondContact SG-CB 3.48Å; C34-C100 CovalentContact SG-SG 2.01Å; C34-C100 PolarHBondContact SG-SG 3.36Å; C34-R105 WeakPolarHBondContact O-CD 3.42Å; C34-R105 PolarHBondContact O-NH1 3.19Å; C34-L107 HydrophobicContact CB-CD2 3.78Å; C34-L107 HydrophobicContact CB-CG 4.25Å; C34-L107 VanDerWaalsContact SG-CD2 3.56Å
35M98.4Very high96.9Very high22 Ų2254.8 Ų54.811%0.10828%0.28CS..Hα-helixtrans-84.7-35.5-177.6-59.8-56.5-61.500113.1M31 I32 L33 R105 L107 A128 E129 S132M31-M35 PolarHBondContact O-N 2.89Å; I32-M35 PolarHBondContact O-N 3.47Å; L33-M35 VanDerWaalsContact C-N 3.28Å; L33-M35 PolarHBondContact O-N 3.14Å; M35-R105 HydrophobicContact CE-CB 4.42Å; M35-R105 WeakPolarHBondContact CE-O 3.1Å; M35-R105 HydrophobicContact SD-CB 4.49Å; M35-L107 HydrophobicContact CG-CD1 3.67Å; M35-L107 HydrophobicContact CG-CG 4.35Å; M35-L107 HydrophobicContact SD-CD1 3.89Å; M35-L107 HydrophobicContact SD-CG 4.01Å; M35-A128 HydrophobicContact CG-CB 4.06Å; M35-E129 HydrophobicContact CE-CG 3.89Å; M35-E129 HydrophobicContact SD-CG 4.23Å; M35-S132 WeakPolarHBondContact CE-OG 3.49Å
36L97.9Very high97.1Very high41 Ų4154.4 Ų54.422%0.21529%0.286CS..  trans-13276.2-171.4-71.4158.9000109.5I32 L33 D38 S39 Y45 F131I32-L36 HydrophobicContact CG2-CD1 4.31Å; I32-L36 WeakPolarHBondContact O-CB 3.49Å; I32-L36 PolarHBondContact O-N 3.45Å; L33-L36 CarbonylContact O-C 3.36Å; L36-D38 VanDerWaalsContact C-N 3.26Å; L36-D38 PolarHBondContact O-N 2.87Å; L36-S39 WeakPolarHBondContact O-CB 3.47Å; L36-S39 PolarHBondContact O-N 3.39Å; L36-S39 PolarHBondContact O-OG 2.03Å; L36-Y45 HydrophobicContact CD1-CE2 4.42Å; L36-F131 HydrophobicContact CD1-CB 3.82Å
37P97.3Very high97.3Very high58 Ų5852.1 Ų52.138%0.37728%0.278SS..THydrogen-bonded Turntrans-64.4-28.1-17129.2-40.2000114.2L33L33-P37 WeakPolarHBondContact O-CA 3.35Å
38D96.8Very high97.3Very high150 Ų15050.6 Ų50.680%0.80227%0.271SS*.THydrogen-bonded Turntrans-930.9-176.4-58.5-48.5000112.8L36L36-D38 VanDerWaalsContact C-N 3.26Å; L36-D38 PolarHBondContact O-N 2.87Å
39S97.3Very high97.4Very high16 Ų1649.9 Ų49.911%0.11227%0.27CS..  trans-78.3163.5176.768.50000112.5L36 P41 D44L36-S39 WeakPolarHBondContact O-CB 3.47Å; L36-S39 PolarHBondContact O-N 3.39Å; L36-S39 PolarHBondContact O-OG 2.03Å; S39-P41 WeakPolarHBondContact O-CD 3.43Å; S39-D44 WeakPolarHBondContact CA-OD2 3.45Å; S39-D44 WeakPolarHBondContact CB-OD2 3.49Å
40W97.6Very high97.4Very high179 Ų17944.9 Ų44.968%0.67825%0.253SS*.  trans-118.180.4170.7-65.674.1000108.5A42 L43 D44W40-A42 PolarHBondContact O-N 2.92Å; W40-L43 HydrophobicContact CB-CB 4.09Å; W40-L43 HydrophobicContact CB-CD1 4.13Å; W40-L43 HydrophobicContact CB-CG 4.33Å; W40-L43 HydrophobicContact CE3-CD1 4.21Å; W40-L43 WeakPolarHBondContact O-CA 3.43Å; W40-L43 PolarHBondContact O-N 3.49Å; W40-D44 PolarHBondContact N-OD2 3.32Å; W40-D44 PolarHBondContact O-N 3.04Å
41P97.3Very high97.4Very high9 Ų944.9 Ų44.96%0.05825%0.247CC..Hα-helixtrans-57-32-161.7-28.933.7000116.3R29 I32 L33 S39 L43 Y45R29-P41 HydrophobicContact CG-CB 4.21Å; R29-P41 HydrophobicContact CG-CG 4.2Å; I32-P41 HydrophobicContact CB-CB 4.23Å; I32-P41 HydrophobicContact CB-CG 4Å; I32-P41 HydrophobicContact CD1-CB 3.99Å; I32-P41 HydrophobicContact CG2-CB 3.97Å; I32-P41 HydrophobicContact CG2-CG 3.67Å; L33-P41 HydrophobicContact CD2-CG 3.97Å; L33-P41 HydrophobicContact CG-CG 3.98Å; S39-P41 WeakPolarHBondContact O-CD 3.43Å; P41-L43 VanDerWaalsContact C-N 3.35Å; P41-Y45 HydrophobicContact CB-CD2 4.07Å; P41-Y45 WeakPolarHBondContact O-CB 3.48Å; P41-Y45 PolarHBondContact O-N 3.08Å
42A94.1Very high97.4Very high70 Ų7045.2 Ų45.258%0.57925%0.249SC*.Hα-helixtrans-76.1-21.317800000113.7W40 A46W40-A42 PolarHBondContact O-N 2.92Å; A42-A46 VanDerWaalsContact O-CB 3.27Å; A42-A46 WeakPolarHBondContact O-CB 3.2Å
43L94.4Very high97.2Very high103 Ų10346.6 Ų46.654%0.53927%0.265SS..Hα-helixtrans-93.7-48.6174.4-60178.4000109.6W40 P41 Y45W40-L43 HydrophobicContact CB-CB 4.09Å; W40-L43 HydrophobicContact CB-CD1 4.13Å; W40-L43 HydrophobicContact CB-CG 4.33Å; W40-L43 HydrophobicContact CE3-CD1 4.21Å; W40-L43 WeakPolarHBondContact O-CA 3.43Å; W40-L43 PolarHBondContact O-N 3.49Å; P41-L43 VanDerWaalsContact C-N 3.35Å; L43-Y45 PolarHBondContact O-N 3.07Å
44D96.6Very high96.8Very high29 Ų2955.4 Ų55.416%0.15530%0.296CS..Hα-helixtrans-72.2-31-171.2-58.7-9.6000113.1S39 W40 W136S39-D44 WeakPolarHBondContact CA-OD2 3.45Å; S39-D44 WeakPolarHBondContact CB-OD2 3.49Å; W40-D44 PolarHBondContact N-OD2 3.32Å; W40-D44 PolarHBondContact O-N 3.04Å; D44-W136 PolarHBondContact O-NE1 3.46Å
45Y97.6Very high96.3Very high23 Ų2357.4 Ų57.49%0.0932%0.318CS..SBendtrans-131.1-4.3-166.8-46.7-57.7000115.7I32 L36 P41 L43 C52 L64 F131 W136I32-Y45 HydrophobicContact CD1-CD2 4.41Å; I32-Y45 HydrophobicContact CG2-CD2 3.94Å; I32-Y45 HydrophobicContact CG2-CE2 3.65Å; L36-Y45 HydrophobicContact CD1-CE2 4.42Å; P41-Y45 HydrophobicContact CB-CD2 4.07Å; P41-Y45 WeakPolarHBondContact O-CB 3.48Å; P41-Y45 PolarHBondContact O-N 3.08Å; L43-Y45 PolarHBondContact O-N 3.07Å; Y45-C52 VanDerWaalsContact O-CB 3.24Å; Y45-C52 WeakPolarHBondContact O-CB 3.45Å; Y45-L64 HydrophobicContact CD1-CD1 4.08Å; Y45-L64 HydrophobicContact CD1-CD2 3.87Å; Y45-L64 HydrophobicContact CD1-CG 4.44Å; Y45-L64 HydrophobicContact CE1-CD1 4.1Å; Y45-L64 HydrophobicContact CE1-CD2 3.8Å; Y45-F131 HydrophobicContact CD2-CD2 4.18Å; Y45-F131 HydrophobicContact CD2-CE2 4.41Å; Y45-F131 HydrophobicContact CG-CD2 4.2Å; Y45-F131 HydrophobicContact CG-CE2 4.2Å; Y45-W136 AromaticContact CE1-CD1 3.83Å
46A95.3Very high96.1Very high54 Ų5458.2 Ų58.245%0.44633%0.332SS..SBendtrans-89.7-10.9-176.600000114.2A42 C52 G53A42-A46 VanDerWaalsContact O-CB 3.27Å; A42-A46 WeakPolarHBondContact O-CB 3.2Å; A46-C52 CarbonylContact C-O 3.33Å; A46-G53 WeakPolarHBondContact O-CA 3.31Å
47D97.1Very high95.9Very high78 Ų7859.6 Ų59.642%0.41735%0.345SS..SBendtrans-150.370.1175.3-170.27.3000109.3C52 H142D47-C52 VanDerWaalsContact CA-O 3.29Å; D47-C52 WeakPolarHBondContact CA-O 3.4Å; D47-C52 PolarHBondContact N-O 2.89Å; D47-H142 VanDerWaalsContact CG-ND1 3.3Å; D47-H142 PolarHBondContact O-N 3.29Å; D47-H142 IonicContact OD2-CE1 3.87Å; D47-H142 IonicContact OD2-CG 3.7Å; D47-H142 IonicContact OD2-ND1 3.77Å; D47-H142 PolarHBondContact OD2-ND1 2.99Å
48Y98.4Very high95.9Very high1 Ų158.2 Ų58.20%0.00434%0.341CS..BIsolated β-bridgetrans-132.6134-174.4-179.1-76.2000110.9C52 D62 L64 D65 W136 N137 H140Y48-C52 PolarHBondContact N-O 3.45Å; Y48-C52 WeakPolarHBondContact O-CB 3.04Å; Y48-C52 PolarHBondContact O-N 2.83Å; Y48-C52 VanDerWaalsContact O-N 3.11Å; Y48-D62 WeakPolarHBondContact CE1-OD2 3.41Å; Y48-D62 PolarHBondContact OH-OD2 3.29Å; Y48-L64 HydrophobicContact CD1-CD2 4.1Å; Y48-L64 HydrophobicContact CD1-CG 4.25Å; Y48-L64 HydrophobicContact CD2-CD2 4.3Å; Y48-L64 HydrophobicContact CE1-CB 4.03Å; Y48-L64 HydrophobicContact CE1-CD2 3.74Å; Y48-L64 HydrophobicContact CE1-CG 3.96Å; Y48-L64 HydrophobicContact CE2-CD2 3.91Å; Y48-L64 HydrophobicContact CG-CD2 4.38Å; Y48-D65 HydrophobicContact CD1-CB 4.48Å; Y48-D65 HydrophobicContact CE1-CB 4.36Å; Y48-W136 AromaticContact CD2-CD1 3.91Å; Y48-W136 AromaticContact CD2-NE1 3.67Å; Y48-W136 AromaticContact CE2-CD1 3.64Å; Y48-W136 HydrophobicContact CE2-CG 4.32Å; Y48-W136 AromaticContact CE2-NE1 3.7Å; Y48-N137 WeakPolarHBondContact CE2-O 3.49Å; Y48-N137 WeakPolarHBondContact OH-CB 3.36Å; Y48-N137 PolarHBondContact OH-N 3.45Å; Y48-H140 HydrophobicContact CD1-CB 4.4Å; Y48-H140 HydrophobicContact CD2-CB 4.29Å; Y48-H140 HydrophobicContact CE1-CB 3.86Å; Y48-H140 HydrophobicContact CE2-CB 3.79Å
49G98.3Very high95.9Very high8 Ų855.3 Ų55.38%0.08233%0.329CS..THydrogen-bonded Turntrans60.5-142.1177.100000112.5H140G49-H140 PolarHBondContact N-O 2.97Å
50C98.4Very high96Very high12 Ų1255.2 Ų55.28%0.08133%0.328CS..THydrogen-bonded Turntrans-104.2-9.8-175.6-69.20000114.1G56 S57 D65 C148C50-G56 WeakPolarHBondContact O-CA 3.07Å; C50-S57 PolarHBondContact O-N 2.84Å; C50-D65 WeakPolarHBondContact CB-OD2 3.38Å; C50-D65 PolarHBondContact N-OD1 2.89Å; C50-D65 PolarHBondContact N-OD2 2.93Å; C50-C148 WeakPolarHBondContact CA-SG 3.48Å; C50-C148 HydrophobicContact CB-CB 3.72Å; C50-C148 WeakPolarHBondContact CB-SG 3.46Å; C50-C148 WeakPolarHBondContact SG-CA 3.45Å; C50-C148 WeakPolarHBondContact SG-CB 3.4Å; C50-C148 CovalentContact SG-SG 2.04Å; C50-C148 PolarHBondContact SG-SG 2.97Å
51Y98.5Very high96Very high32 Ų3249.1 Ų49.113%0.12531%0.31CS..THydrogen-bonded Turntrans-130-31.7-174.8-75.9-88.2000113.9G53 G58 P60 D65 Q69Y51-G53 PolarHBondContact O-N 3.27Å; Y51-G58 PolarHBondContact OH-O 3.5Å; Y51-P60 HydrophobicContact CD2-CB 4.38Å; Y51-P60 HydrophobicContact CD2-CG 3.97Å; Y51-P60 HydrophobicContact CE2-CG 3.82Å; Y51-D65 WeakPolarHBondContact CA-OD1 3.31Å; Y51-D65 WeakPolarHBondContact CB-OD1 3.49Å; Y51-D65 PolarHBondContact N-OD1 3.09Å; Y51-Q69 HydrophobicContact CD1-CB 3.66Å; Y51-Q69 HydrophobicContact CD1-CG 3.94Å; Y51-Q69 HydrophobicContact CD2-CB 3.87Å; Y51-Q69 HydrophobicContact CD2-CG 4.39Å; Y51-Q69 HydrophobicContact CE1-CB 3.92Å; Y51-Q69 HydrophobicContact CE1-CG 3.65Å; Y51-Q69 HydrophobicContact CE2-CB 4.12Å; Y51-Q69 HydrophobicContact CE2-CG 4.13Å; Y51-Q69 HydrophobicContact CG-CB 3.62Å; Y51-Q69 HydrophobicContact CG-CG 4.28Å; Y51-Q69 PolarHBondContact OH-NE2 2.86Å
52C98.1Very high96.1Very high7 Ų750.3 Ų50.35%0.04732%0.316CS..BIsolated β-bridgetrans-72.195.3-177.5-48.70000111.3Y45 A46 D47 Y48 C68Y45-C52 VanDerWaalsContact O-CB 3.24Å; Y45-C52 WeakPolarHBondContact O-CB 3.45Å; A46-C52 CarbonylContact C-O 3.33Å; D47-C52 VanDerWaalsContact CA-O 3.29Å; D47-C52 WeakPolarHBondContact CA-O 3.4Å; D47-C52 PolarHBondContact N-O 2.89Å; Y48-C52 PolarHBondContact N-O 3.45Å; Y48-C52 WeakPolarHBondContact O-CB 3.04Å; Y48-C52 PolarHBondContact O-N 2.83Å; Y48-C52 VanDerWaalsContact O-N 3.11Å; C52-C68 WeakPolarHBondContact CA-SG 3.1Å; C52-C68 HydrophobicContact CB-CB 3.73Å; C52-C68 WeakPolarHBondContact CB-SG 3.06Å; C52-C68 WeakPolarHBondContact SG-CB 3.16Å; C52-C68 CovalentContact SG-SG 2.02Å; C52-C68 PolarHBondContact SG-SG 2.64Å
53G94.6Very high96.3Very high35 Ų3552.3 Ų52.336%0.36132%0.317SS..SBendtrans149.8-159.1-176.400000111.6A46 Y51A46-G53 WeakPolarHBondContact O-CA 3.31Å; Y51-G53 PolarHBondContact O-N 3.27Å
54Y89.4Confident96.5Very high231 Ų23147.5 Ų47.591%0.90629%0.292SS*.SBendtrans-81.9122.5175.5-177.7-95.8000111.3
55G88.1Confident96.6Very high48 Ų4846.1 Ų46.150%0.49529%0.285SS..SBendtrans103.2-109.1172.400000112.4
56G94.1Very high96.6Very high39 Ų3950.3 Ų50.340%0.40230%0.3SS..  trans98.3139.6177.300000115.4C50C50-G56 WeakPolarHBondContact O-CA 3.07Å
57S95.2Very high96.8Very high70 Ų7047.9 Ų47.949%0.4928%0.28SS..  trans-165.1165.5-178.464.10000112.8C50C50-S57 PolarHBondContact O-N 2.84Å
58G96.4Very high96.9Very high28 Ų2844.4 Ų44.429%0.28926%0.262SS..SBendtrans78.4-146.4176.700000113Y51 Q149Y51-G58 PolarHBondContact OH-O 3.5Å; G58-Q149 CarbonylContact C-O 3.58Å; G58-Q149 WeakPolarHBondContact CA-O 3.44Å
59T97.5Very high96.9Very high89 Ų8947 Ų4755%0.54627%0.274SS..  trans-103.6129.1-177.4-51.70000110.2V61 Q149T59-V61 PolarHBondContact O-N 3.12Å; T59-Q149 WeakPolarHBondContact CB-O 3.45Å; T59-Q149 PolarHBondContact N-O 2.97Å; T59-Q149 PolarHBondContact OG1-O 2.03Å
60P98.4Very high96.9Very high14 Ų1451.5 Ų51.59%0.09130%0.295CS..  trans-57.8135.6175.8-22.530.9000112Y51 D65 R66 Q69Y51-P60 HydrophobicContact CD2-CB 4.38Å; Y51-P60 HydrophobicContact CD2-CG 3.97Å; Y51-P60 HydrophobicContact CE2-CG 3.82Å; P60-D65 WeakPolarHBondContact CA-OD2 3.44Å; P60-D65 HydrophobicContact CB-CB 4.07Å; P60-R66 HydrophobicContact CB-CB 4.01Å; P60-R66 HydrophobicContact CG-CB 4.3Å; P60-Q69 HydrophobicContact CG-CB 4.07Å; P60-Q69 HydrophobicContact CG-CG 4.37Å
61V98.3Very high96.9Very high52 Ų5251.8 Ų51.832%0.31530%0.295SS..SBendtrans-78.6-20.5-174.4-65.30000114T59 D65 H140 L143T59-V61 PolarHBondContact O-N 3.12Å; V61-D65 HydrophobicContact CG2-CB 4.01Å; V61-D65 PolarHBondContact N-OD2 3.15Å; V61-H140 HydrophobicContact CG2-CB 4.18Å; V61-H140 WeakPolarHBondContact CG2-ND1 3.4Å; V61-L143 HydrophobicContact CG1-CD2 3.59Å; V61-L143 HydrophobicContact CG2-CD2 4.27Å
62D98.6Very high96.9Very high34 Ų3451.5 Ų51.518%0.18230%0.296CS..SBendtrans-158-172.3174.260.333.9000111.7Y48 L64 D65 R66 H140Y48-D62 WeakPolarHBondContact CE1-OD2 3.41Å; Y48-D62 PolarHBondContact OH-OD2 3.29Å; D62-L64 VanDerWaalsContact C-N 3.35Å; D62-L64 WeakPolarHBondContact OD1-CA 2.97Å; D62-L64 WeakPolarHBondContact OD1-CB 3.38Å; D62-L64 PolarHBondContact OD1-N 2.92Å; D62-D65 WeakPolarHBondContact OD1-CB 3.18Å; D62-D65 PolarHBondContact OD1-N 3.02Å; D62-R66 WeakPolarHBondContact O-CB 3.14Å; D62-R66 PolarHBondContact O-N 2.91Å; D62-H140 IonicContact OD2-CE1 3.88Å; D62-H140 PolarHBondContact OD2-CE1 3.02Å; D62-H140 IonicContact OD2-CG 3.68Å; D62-H140 IonicContact OD2-ND1 2.73Å; D62-H140 PolarHBondContact OD2-ND1 3.31Å
63D98.8Very high96.9Very high112 Ų11256.2 Ų56.260%0.59932%0.317SS*.Hα-helixtrans-70.4-28.1-179.9-72.1-24.6000113.1C67 S134D63-C67 PolarHBondContact O-N 3.44Å; D63-C67 VanDerWaalsContact O-N 3.13Å; D63-C67 PolarHBondContact O-SG 2.67Å; D63-S134 PolarHBondContact O-OG 3.41Å
64L98.8Very high97.1Very high2 Ų255.7 Ų55.71%0.0131%0.308CS..Hα-helixtrans-70.5-46.2175.8177.159.8000110.2Y45 Y48 D62 R66 C67 C68 F131 W136Y45-L64 HydrophobicContact CD1-CD1 4.08Å; Y45-L64 HydrophobicContact CD1-CD2 3.87Å; Y45-L64 HydrophobicContact CD1-CG 4.44Å; Y45-L64 HydrophobicContact CE1-CD1 4.1Å; Y45-L64 HydrophobicContact CE1-CD2 3.8Å; Y48-L64 HydrophobicContact CD1-CD2 4.1Å; Y48-L64 HydrophobicContact CD1-CG 4.25Å; Y48-L64 HydrophobicContact CD2-CD2 4.3Å; Y48-L64 HydrophobicContact CE1-CB 4.03Å; Y48-L64 HydrophobicContact CE1-CD2 3.74Å; Y48-L64 HydrophobicContact CE1-CG 3.96Å; Y48-L64 HydrophobicContact CE2-CD2 3.91Å; Y48-L64 HydrophobicContact CG-CD2 4.38Å; D62-L64 VanDerWaalsContact C-N 3.35Å; D62-L64 WeakPolarHBondContact OD1-CA 2.97Å; D62-L64 WeakPolarHBondContact OD1-CB 3.38Å; D62-L64 PolarHBondContact OD1-N 2.92Å; L64-R66 VanDerWaalsContact C-N 3.25Å; L64-R66 PolarHBondContact O-N 2.83Å; L64-C67 WeakPolarHBondContact O-CB 3.03Å; L64-C67 PolarHBondContact O-N 2.87Å; L64-C68 PolarHBondContact O-N 3.02Å; L64-F131 HydrophobicContact CD1-CB 4.04Å; L64-F131 HydrophobicContact CD1-CD1 3.36Å; L64-F131 HydrophobicContact CD1-CE1 3.94Å; L64-F131 HydrophobicContact CD1-CG 3.78Å; L64-W136 HydrophobicContact CD2-CB 4.23Å; L64-W136 HydrophobicContact CD2-CG 4.38Å
65D98.8Very high97.4Very high0 Ų044.8 Ų44.80%027%0.265CS..Hα-helixtrans-62.5-34.7175.3-165.230.1000111.7Y48 C50 Y51 P60 V61 D62 C67 C68 Q69Y48-D65 HydrophobicContact CD1-CB 4.48Å; Y48-D65 HydrophobicContact CE1-CB 4.36Å; C50-D65 WeakPolarHBondContact CB-OD2 3.38Å; C50-D65 PolarHBondContact N-OD1 2.89Å; C50-D65 PolarHBondContact N-OD2 2.93Å; Y51-D65 WeakPolarHBondContact CA-OD1 3.31Å; Y51-D65 WeakPolarHBondContact CB-OD1 3.49Å; Y51-D65 PolarHBondContact N-OD1 3.09Å; P60-D65 WeakPolarHBondContact CA-OD2 3.44Å; P60-D65 HydrophobicContact CB-CB 4.07Å; V61-D65 HydrophobicContact CG2-CB 4.01Å; V61-D65 PolarHBondContact N-OD2 3.15Å; D62-D65 WeakPolarHBondContact OD1-CB 3.18Å; D62-D65 PolarHBondContact OD1-N 3.02Å; D65-C67 VanDerWaalsContact C-N 3.33Å; D65-C67 PolarHBondContact O-N 3.39Å; D65-C68 WeakPolarHBondContact O-CB 3.27Å; D65-C68 PolarHBondContact O-N 2.69Å; D65-C68 VanDerWaalsContact O-N 3.16Å; D65-Q69 PolarHBondContact O-N 3.06Å
66R98.8Very high97.7Very high110 Ų11044.6 Ų44.642%0.41526%0.256SS..Hα-helixtrans-64.7-35172.3-176.2176-62.9-77.4-6.4112.5P60 D62 L64 C68 Q69 I70P60-R66 HydrophobicContact CB-CB 4.01Å; P60-R66 HydrophobicContact CG-CB 4.3Å; D62-R66 WeakPolarHBondContact O-CB 3.14Å; D62-R66 PolarHBondContact O-N 2.91Å; L64-R66 VanDerWaalsContact C-N 3.25Å; L64-R66 PolarHBondContact O-N 2.83Å; R66-C68 VanDerWaalsContact C-N 3.25Å; R66-C68 PolarHBondContact O-N 3.43Å; R66-Q69 PolarHBondContact O-N 2.89Å; R66-I70 HydrophobicContact CG-CD1 4.16Å; R66-I70 WeakPolarHBondContact O-CG1 3.38Å; R66-I70 PolarHBondContact O-N 2.97Å; R66-I70 VanDerWaalsContact O-N 3.09Å
67C98.8Very high97.7Very high3 Ų346.1 Ų46.12%0.0226%0.255CS..Hα-helixtrans-59.3-41.6172.8-59.10000110.7D63 L64 D65 I70 H71 C130 F131 S134D63-C67 PolarHBondContact O-N 3.44Å; D63-C67 VanDerWaalsContact O-N 3.13Å; D63-C67 PolarHBondContact O-SG 2.67Å; L64-C67 WeakPolarHBondContact O-CB 3.03Å; L64-C67 PolarHBondContact O-N 2.87Å; D65-C67 VanDerWaalsContact C-N 3.33Å; D65-C67 PolarHBondContact O-N 3.39Å; C67-I70 PolarHBondContact O-N 2.73Å; C67-H71 WeakPolarHBondContact O-CB 3.43Å; C67-H71 PolarHBondContact O-N 2.68Å; C67-C130 HydrophobicContact CB-CB 3.65Å; C67-C130 WeakPolarHBondContact CB-SG 3.27Å; C67-C130 WeakPolarHBondContact SG-CB 3.49Å; C67-C130 CovalentContact SG-SG 2.02Å; C67-C130 PolarHBondContact SG-SG 2.82Å; C67-F131 HydrophobicContact CB-CD1 3.56Å; C67-F131 HydrophobicContact CB-CE1 3.5Å; C67-S134 PolarHBondContact SG-OG 3.05Å
68C98.8Very high97.7Very high6 Ų642.8 Ų42.84%0.04123%0.232CC..Hα-helixtrans-67.5-43.4177.9-58.10000112.1C52 L64 D65 R66 I70 H71 D72 F131C52-C68 WeakPolarHBondContact CA-SG 3.1Å; C52-C68 HydrophobicContact CB-CB 3.73Å; C52-C68 WeakPolarHBondContact CB-SG 3.06Å; C52-C68 WeakPolarHBondContact SG-CB 3.16Å; C52-C68 CovalentContact SG-SG 2.02Å; C52-C68 PolarHBondContact SG-SG 2.64Å; L64-C68 PolarHBondContact O-N 3.02Å; D65-C68 WeakPolarHBondContact O-CB 3.27Å; D65-C68 PolarHBondContact O-N 2.69Å; D65-C68 VanDerWaalsContact O-N 3.16Å; R66-C68 VanDerWaalsContact C-N 3.25Å; R66-C68 PolarHBondContact O-N 3.43Å; C68-I70 VanDerWaalsContact C-N 3.26Å; C68-I70 PolarHBondContact O-N 2.76Å; C68-H71 CarbonylContact O-C 3.57Å; C68-H71 WeakPolarHBondContact O-CA 3.32Å; C68-H71 WeakPolarHBondContact O-CB 3.3Å; C68-H71 PolarHBondContact O-N 3.1Å; C68-D72 PolarHBondContact O-N 2.84Å; C68-F131 VanDerWaalsContact SG-CE1 3.58Å
69Q98.7Very high97.4Very high54 Ų5444.9 Ų44.925%0.25224%0.235SC..Hα-helixtrans-54.5-43.4173178.5-177.463.300112.3Y51 P60 D65 R66 Q73Y51-Q69 HydrophobicContact CD1-CB 3.66Å; Y51-Q69 HydrophobicContact CD1-CG 3.94Å; Y51-Q69 HydrophobicContact CD2-CB 3.87Å; Y51-Q69 HydrophobicContact CD2-CG 4.39Å; Y51-Q69 HydrophobicContact CE1-CB 3.92Å; Y51-Q69 HydrophobicContact CE1-CG 3.65Å; Y51-Q69 HydrophobicContact CE2-CB 4.12Å; Y51-Q69 HydrophobicContact CE2-CG 4.13Å; Y51-Q69 HydrophobicContact CG-CB 3.62Å; Y51-Q69 HydrophobicContact CG-CG 4.28Å; Y51-Q69 PolarHBondContact OH-NE2 2.86Å; P60-Q69 HydrophobicContact CG-CB 4.07Å; P60-Q69 HydrophobicContact CG-CG 4.37Å; D65-Q69 PolarHBondContact O-N 3.06Å; R66-Q69 PolarHBondContact O-N 2.89Å; Q69-Q73 PolarHBondContact O-N 3.09Å; Q69-Q73 VanDerWaalsContact O-N 3.14Å
70I98.6Very high97.2Very high104 Ų10447.6 Ų47.653%0.53324%0.242SC..Hα-helixtrans-68.4-38.5178.4-67.9166.5000110.7R66 C67 C68 Q73 C74R66-I70 HydrophobicContact CG-CD1 4.16Å; R66-I70 WeakPolarHBondContact O-CG1 3.38Å; R66-I70 PolarHBondContact O-N 2.97Å; R66-I70 VanDerWaalsContact O-N 3.09Å; C67-I70 PolarHBondContact O-N 2.73Å; C68-I70 VanDerWaalsContact C-N 3.26Å; C68-I70 PolarHBondContact O-N 2.76Å; I70-Q73 PolarHBondContact O-N 3.37Å; I70-C74 WeakPolarHBondContact O-CB 3.22Å; I70-C74 PolarHBondContact O-N 3.39Å
71H98.6Very high96.9Very high18 Ų1849 Ų498%0.08325%0.246CC..Hα-helixtrans-64.1-45.2176.5-177.3-110.5000111.9F28 C67 C68 Q73 C74 Y75 D124 A127F28-H71 AromaticContact CE1-CE1 3.79Å; C67-H71 WeakPolarHBondContact O-CB 3.43Å; C67-H71 PolarHBondContact O-N 2.68Å; C68-H71 CarbonylContact O-C 3.57Å; C68-H71 WeakPolarHBondContact O-CA 3.32Å; C68-H71 WeakPolarHBondContact O-CB 3.3Å; C68-H71 PolarHBondContact O-N 3.1Å; H71-Q73 VanDerWaalsContact C-N 3.31Å; H71-Q73 PolarHBondContact O-N 2.83Å; H71-C74 CarbonylContact O-C 3.6Å; H71-C74 WeakPolarHBondContact O-CA 2.84Å; H71-C74 VanDerWaalsContact O-CB 3.31Å; H71-C74 WeakPolarHBondContact O-CB 3.35Å; H71-C74 PolarHBondContact O-N 3.15Å; H71-Y75 AromaticContact CE1-CD1 4Å; H71-Y75 AromaticContact CE1-CE1 3.62Å; H71-Y75 AromaticContact CE1-CE2 3.67Å; H71-Y75 AromaticContact CE1-CZ 3.46Å; H71-Y75 VanDerWaalsContact CE1-CZ 3.46Å; H71-Y75 AromaticContact NE2-CD1 3.72Å; H71-Y75 AromaticContact NE2-CE1 3.18Å; H71-Y75 WeakPolarHBondContact NE2-CE1 3.34Å; H71-Y75 AromaticContact NE2-CZ 3.42Å; H71-Y75 PolarHBondContact O-N 3.24Å; H71-D124 IonicContact CD2-OD1 2.68Å; H71-D124 IonicContact CE1-OD1 2.76Å; H71-D124 IonicContact NE2-OD1 3.95Å; H71-D124 PolarHBondContact NE2-OD1 2.89Å; H71-A127 HydrophobicContact CB-CB 4.03Å
72D98.1Very high96.5Very high26 Ų2651.7 Ų51.714%0.13927%0.265CS..Hα-helixtrans-60.3-41175.9-70.1-27.5000112C68 Y75 S76C68-D72 PolarHBondContact O-N 2.84Å; D72-Y75 PolarHBondContact O-N 3.25Å; D72-S76 WeakPolarHBondContact O-CB 3.31Å; D72-S76 PolarHBondContact O-N 2.86Å; D72-S76 PolarHBondContact O-OG 3.46Å
73Q97.8Very high96.1Very high105 Ų10555.2 Ų55.249%0.49128%0.281SS..Hα-helixtrans-64.6-42.1173.6-175.761.159.700111Q69 I70 H71 Y75 S76 D77Q69-Q73 PolarHBondContact O-N 3.09Å; Q69-Q73 VanDerWaalsContact O-N 3.14Å; I70-Q73 PolarHBondContact O-N 3.37Å; H71-Q73 VanDerWaalsContact C-N 3.31Å; H71-Q73 PolarHBondContact O-N 2.83Å; Q73-Y75 PolarHBondContact O-N 3.03Å; Q73-S76 WeakPolarHBondContact O-CB 3.25Å; Q73-S76 PolarHBondContact O-N 2.97Å; Q73-D77 PolarHBondContact NE2-OD1 2.91Å; Q73-D77 VanDerWaalsContact O-CG 3.23Å; Q73-D77 PolarHBondContact O-N 2.85Å
74C97.9Very high95.7Very high25 Ų2550 Ų5017%0.16925%0.253CS..Hα-helixtrans-61.7-43.4177.4-160.10000111.4I70 H71 S76 D77 A78 F119 C123I70-C74 WeakPolarHBondContact O-CB 3.22Å; I70-C74 PolarHBondContact O-N 3.39Å; H71-C74 CarbonylContact O-C 3.6Å; H71-C74 WeakPolarHBondContact O-CA 2.84Å; H71-C74 VanDerWaalsContact O-CB 3.31Å; H71-C74 WeakPolarHBondContact O-CB 3.35Å; H71-C74 PolarHBondContact O-N 3.15Å; C74-S76 VanDerWaalsContact C-N 3.35Å; C74-S76 PolarHBondContact O-N 3.42Å; C74-D77 PolarHBondContact O-N 3.35Å; C74-A78 PolarHBondContact O-N 3Å; C74-F119 WeakPolarHBondContact O-CE1 3.2Å; C74-C123 HydrophobicContact CB-CB 3.71Å; C74-C123 WeakPolarHBondContact CB-SG 3.42Å; C74-C123 WeakPolarHBondContact SG-CA 3.33Å; C74-C123 WeakPolarHBondContact SG-CB 3.4Å; C74-C123 CovalentContact SG-SG 2.03Å; C74-C123 PolarHBondContact SG-SG 3Å
75Y95.7Very high95Very high2 Ų258 Ų581%0.00828%0.284CS..Hα-helixtrans-64.8-38.4174.1-87.222.8000112.3H71 D72 Q73 D77 A78 M79 P91 Y92 I120 C123 D124H71-Y75 AromaticContact CE1-CD1 4Å; H71-Y75 AromaticContact CE1-CE1 3.62Å; H71-Y75 AromaticContact CE1-CE2 3.67Å; H71-Y75 AromaticContact CE1-CZ 3.46Å; H71-Y75 VanDerWaalsContact CE1-CZ 3.46Å; H71-Y75 AromaticContact NE2-CD1 3.72Å; H71-Y75 AromaticContact NE2-CE1 3.18Å; H71-Y75 WeakPolarHBondContact NE2-CE1 3.34Å; H71-Y75 AromaticContact NE2-CZ 3.42Å; H71-Y75 PolarHBondContact O-N 3.24Å; D72-Y75 PolarHBondContact O-N 3.25Å; Q73-Y75 PolarHBondContact O-N 3.03Å; Y75-D77 VanDerWaalsContact C-N 3.3Å; Y75-D77 PolarHBondContact O-N 2.82Å; Y75-A78 WeakPolarHBondContact O-CB 3.49Å; Y75-A78 PolarHBondContact O-N 3.43Å; Y75-M79 WeakPolarHBondContact O-CE 3.17Å; Y75-M79 WeakPolarHBondContact O-CG 3.47Å; Y75-M79 PolarHBondContact O-N 3.25Å; Y75-P91 HydrophobicContact CD1-CB 3.64Å; Y75-P91 HydrophobicContact CD1-CG 4.31Å; Y75-P91 HydrophobicContact CD2-CB 3.57Å; Y75-P91 HydrophobicContact CD2-CG 3.78Å; Y75-P91 HydrophobicContact CE1-CB 3.68Å; Y75-P91 HydrophobicContact CE2-CB 3.62Å; Y75-P91 HydrophobicContact CE2-CG 4.25Å; Y75-P91 HydrophobicContact CG-CB 3.55Å; Y75-P91 HydrophobicContact CG-CG 3.78Å; Y75-P91 PolarHBondContact OH-O 3.39Å; Y75-Y92 HydrophobicContact CD2-CD1 4.12Å; Y75-Y92 AromaticContact CD2-CE1 3.54Å; Y75-Y92 HydrophobicContact CD2-CE1 3.54Å; Y75-Y92 HydrophobicContact CD2-CE2 4.3Å; Y75-Y92 AromaticContact CD2-CZ 3.64Å; Y75-Y92 AromaticContact CE2-CD1 3.67Å; Y75-Y92 HydrophobicContact CE2-CD1 3.67Å; Y75-Y92 AromaticContact CE2-CE1 3.46Å; Y75-Y92 HydrophobicContact CE2-CE1 3.46Å; Y75-Y92 VanDerWaalsContact CE2-CE1 3.46Å; Y75-Y92 HydrophobicContact CE2-CG 4.42Å; Y75-I120 HydrophobicContact CE1-CG2 4.32Å; Y75-C123 HydrophobicContact CD1-CB 3.93Å; Y75-C123 HydrophobicContact CE1-CB 3.9Å; Y75-D124 VanDerWaalsContact CE1-OD1 3.27Å; Y75-D124 WeakPolarHBondContact CE1-OD1 3.48Å; Y75-D124 PolarHBondContact OH-OD1 3.21Å; Y75-D124 PolarHBondContact OH-OD2 2.73Å
76S94.8Very high93.6Very high44 Ų4462.3 Ų62.331%0.30831%0.311SS..Hα-helixtrans-61.9-38.1173.7-620000112.4D72 Q73 C74 Q80D72-S76 WeakPolarHBondContact O-CB 3.31Å; D72-S76 PolarHBondContact O-N 2.86Å; D72-S76 PolarHBondContact O-OG 3.46Å; Q73-S76 WeakPolarHBondContact O-CB 3.25Å; Q73-S76 PolarHBondContact O-N 2.97Å; C74-S76 VanDerWaalsContact C-N 3.35Å; C74-S76 PolarHBondContact O-N 3.42Å; S76-Q80 WeakPolarHBondContact O-CG 3.29Å; S76-Q80 PolarHBondContact O-N 2.89Å; S76-Q80 PolarHBondContact O-NE2 3.19Å
77D95.3Very high92.2Very high70 Ų7064.7 Ų64.737%0.37433%0.33SS..Hα-helixtrans-71.8-38.9175.5-65-13.7000111.2Q73 C74 Y75 M79 Q80 H81 F119Q73-D77 PolarHBondContact NE2-OD1 2.91Å; Q73-D77 VanDerWaalsContact O-CG 3.23Å; Q73-D77 PolarHBondContact O-N 2.85Å; C74-D77 PolarHBondContact O-N 3.35Å; Y75-D77 VanDerWaalsContact C-N 3.3Å; Y75-D77 PolarHBondContact O-N 2.82Å; D77-M79 VanDerWaalsContact C-N 3.34Å; D77-M79 PolarHBondContact O-N 3.45Å; D77-Q80 CarbonylContact O-C 3.45Å; D77-Q80 WeakPolarHBondContact O-CA 3.09Å; D77-Q80 PolarHBondContact O-N 3.22Å; D77-H81 PolarHBondContact O-N 2.51Å; D77-F119 HydrophobicContact CB-CE1 4.15Å; D77-F119 HydrophobicContact CB-CZ 3.85Å
78A93.6Very high90.9Very high0 Ų070.1 Ų70.10%036%0.359CS..Hα-helixtrans-59.1-44.317500000111.5C74 Y75 Q80 H81 C84 P91 F119 I120C74-A78 PolarHBondContact O-N 3Å; Y75-A78 WeakPolarHBondContact O-CB 3.49Å; Y75-A78 PolarHBondContact O-N 3.43Å; A78-Q80 PolarHBondContact O-N 3.07Å; A78-Q80 VanDerWaalsContact O-N 3.14Å; A78-H81 VanDerWaalsContact O-CB 3.28Å; A78-H81 WeakPolarHBondContact O-CB 3.46Å; A78-H81 PolarHBondContact O-N 3.15Å; A78-C84 VanDerWaalsContact O-CB 3.31Å; A78-C84 WeakPolarHBondContact O-CB 3.37Å; A78-C84 PolarHBondContact O-SG 3.33Å; A78-P91 HydrophobicContact CB-CG 4.49Å; A78-F119 HydrophobicContact CB-CD1 3.63Å; A78-F119 HydrophobicContact CB-CE1 3.8Å; A78-I120 HydrophobicContact CB-CG1 3.95Å
79M91.4Very high90Very high72 Ų7271.7 Ų71.736%0.35537%0.367SS..THydrogen-bonded Turntrans-64.1-16.1175.7-72.5-174.8-76.900113.9Y75 D77 P86 P91Y75-M79 WeakPolarHBondContact O-CE 3.17Å; Y75-M79 WeakPolarHBondContact O-CG 3.47Å; Y75-M79 PolarHBondContact O-N 3.25Å; D77-M79 VanDerWaalsContact C-N 3.34Å; D77-M79 PolarHBondContact O-N 3.45Å; M79-P86 WeakPolarHBondContact O-CG 3.49Å; M79-P91 HydrophobicContact CG-CG 3.97Å
80Q92.7Very high89.3Confident147 Ų14771.4 Ų71.469%0.68737%0.367SS*.THydrogen-bonded Turntrans-105.1-2.6176.2-67.7171.982.300112.6S76 D77 A78S76-Q80 WeakPolarHBondContact O-CG 3.29Å; S76-Q80 PolarHBondContact O-N 2.89Å; S76-Q80 PolarHBondContact O-NE2 3.19Å; D77-Q80 CarbonylContact O-C 3.45Å; D77-Q80 WeakPolarHBondContact O-CA 3.09Å; D77-Q80 PolarHBondContact O-N 3.22Å; A78-Q80 PolarHBondContact O-N 3.07Å; A78-Q80 VanDerWaalsContact O-N 3.14Å
81H91.9Very high88.9Confident42 Ų4266.5 Ų66.519%0.19434%0.342CS..  trans-68.6133.2-174.9-166.4-88.2000110.2D77 A78 E83 C84 F119D77-H81 PolarHBondContact O-N 2.51Å; A78-H81 VanDerWaalsContact O-CB 3.28Å; A78-H81 WeakPolarHBondContact O-CB 3.46Å; A78-H81 PolarHBondContact O-N 3.15Å; H81-E83 PolarHBondContact ND1-N 3.32Å; H81-E83 PolarHBondContact O-N 3.27Å; H81-C84 HydrophobicContact CB-CB 4.08Å; H81-C84 PolarHBondContact O-N 2.8Å; H81-C84 VanDerWaalsContact O-O 3.12Å; H81-F119 AromaticContact CD2-CD2 3.7Å; H81-F119 AromaticContact CD2-CE2 3.92Å
82P89.8Confident88.4Confident110 Ų11069 Ų6971%0.71435%0.351SS*.THydrogen-bonded Turntrans-58.6-32.7-175.3-26.234.3000114.7
83E91.1Very high88Confident107 Ų10769.9 Ų69.950%0.536%0.357SS..THydrogen-bonded Turntrans-86.1-8.1179.1-57.2-56.7141.500113.3H81 E115H81-E83 PolarHBondContact ND1-N 3.32Å; H81-E83 PolarHBondContact O-N 3.27Å; E83-E115 HydrophobicContact CB-CB 3.96Å; E83-E115 HydrophobicContact CG-CB 3.94Å; E83-E115 HydrophobicContact CG-CG 4.46Å; E83-E115 WeakPolarHBondContact CG-OE2 3.47Å
84C90.3Very high87.7Confident4 Ų466.5 Ų66.53%0.02734%0.342CS..SBendtrans-94.5120.7172.6-68.10000109.3A78 H81 P86 C116A78-C84 VanDerWaalsContact O-CB 3.31Å; A78-C84 WeakPolarHBondContact O-CB 3.37Å; A78-C84 PolarHBondContact O-SG 3.33Å; H81-C84 HydrophobicContact CB-CB 4.08Å; H81-C84 PolarHBondContact O-N 2.8Å; H81-C84 VanDerWaalsContact O-O 3.12Å; C84-P86 WeakPolarHBondContact O-CD 3.46Å; C84-C116 WeakPolarHBondContact CA-SG 3.3Å; C84-C116 HydrophobicContact CB-CB 4.04Å; C84-C116 WeakPolarHBondContact CB-SG 3.42Å; C84-C116 WeakPolarHBondContact SG-CA 3.01Å; C84-C116 WeakPolarHBondContact SG-CB 3.24Å; C84-C116 CovalentContact SG-SG 2.04Å; C84-C116 PolarHBondContact SG-SG 3.05Å
85W83Confident87.5Confident170 Ų17068 Ų6864%0.64435%0.35SS*.  trans-84.8105.1175.8-8354.9000110.1I87 L88 D89W85-I87 PolarHBondContact O-N 2.86Å; W85-L88 HydrophobicContact CB-CB 4.41Å; W85-L88 PolarHBondContact O-N 2.02Å; W85-D89 WeakPolarHBondContact CB-OD2 3.43Å; W85-D89 PolarHBondContact N-OD2 2.76Å; W85-D89 PolarHBondContact O-N 3.5Å
86P70.6Confident87.6Confident90 Ų9068.2 Ų68.258%0.58435%0.351SS*.THydrogen-bonded Turntrans-64.6-15.2-163.7-22.735.1000115.4M79 C84M79-P86 WeakPolarHBondContact O-CG 3.49Å; C84-P86 WeakPolarHBondContact O-CD 3.46Å
87I69.6Low87.8Confident159 Ų15967.6 Ų67.682%0.81535%0.346SS*.THydrogen-bonded Turntrans-81.4-27.4176.6-62.2174.2000111.6W85W85-I87 PolarHBondContact O-N 2.86Å
88L71.7Confident87.9Confident118 Ų11867.1 Ų67.162%0.61834%0.34SS*.THydrogen-bonded Turntrans-113.4-44.6-172.9-60.4177.5000111.2W85W85-L88 HydrophobicContact CB-CB 4.41Å; W85-L88 PolarHBondContact O-N 2.02Å
89D78.2Confident88.1Confident38 Ų3870.7 Ų70.720%0.20336%0.362CS..  trans-109.3102.3-170.9-40.6-28.9000107.5W85 E94W85-D89 WeakPolarHBondContact CB-OD2 3.43Å; W85-D89 PolarHBondContact N-OD2 2.76Å; W85-D89 PolarHBondContact O-N 3.5Å; D89-E94 WeakPolarHBondContact CA-OE2 3.37Å; D89-E94 HydrophobicContact CB-CG 4.48Å; D89-E94 WeakPolarHBondContact CB-OE2 3.36Å
90N85.2Confident88.5Confident49 Ų4969.4 Ų69.426%0.26236%0.359SS..  trans-123135.8179.8165.510000107.7Y92 T93 E94N90-Y92 PolarHBondContact O-N 2.97Å; N90-Y92 WeakPolarHBondContact OD1-CD2 3.44Å; N90-Y92 PolarHBondContact OD1-N 3.44Å; N90-Y92 VanDerWaalsContact OD1-N 3.09Å; N90-T93 PolarHBondContact O-N 3.42Å; N90-T93 PolarHBondContact O-OG1 2.99Å; N90-E94 WeakPolarHBondContact O-CB 3.04Å; N90-E94 PolarHBondContact O-N 2.76Å
91P89.7Confident88.7Confident1 Ų165.5 Ų65.51%0.00634%0.343CS..THydrogen-bonded Turntrans-52.1-21.3177.822.3-37.1000115.8Y75 A78 M79 I120Y75-P91 HydrophobicContact CD1-CB 3.64Å; Y75-P91 HydrophobicContact CD1-CG 4.31Å; Y75-P91 HydrophobicContact CD2-CB 3.57Å; Y75-P91 HydrophobicContact CD2-CG 3.78Å; Y75-P91 HydrophobicContact CE1-CB 3.68Å; Y75-P91 HydrophobicContact CE2-CB 3.62Å; Y75-P91 HydrophobicContact CE2-CG 4.25Å; Y75-P91 HydrophobicContact CG-CB 3.55Å; Y75-P91 HydrophobicContact CG-CG 3.78Å; Y75-P91 PolarHBondContact OH-O 3.39Å; A78-P91 HydrophobicContact CB-CG 4.49Å; M79-P91 HydrophobicContact CG-CG 3.97Å; P91-I120 HydrophobicContact CB-CD1 4.31Å; P91-I120 HydrophobicContact CB-CG1 4.11Å; P91-I120 HydrophobicContact CB-CG2 4.02Å
92Y88.7Confident88.9Confident69 Ų6970.1 Ų70.127%0.27137%0.365SS..THydrogen-bonded Turntrans-82.6-15175.6-57.4-67000115L25 Y75 N90L25-Y92 HydrophobicContact CD1-CD1 4.38Å; L25-Y92 HydrophobicContact CD2-CD1 3.97Å; L25-Y92 HydrophobicContact CG-CD1 4.34Å; Y75-Y92 HydrophobicContact CD2-CD1 4.12Å; Y75-Y92 AromaticContact CD2-CE1 3.54Å; Y75-Y92 HydrophobicContact CD2-CE1 3.54Å; Y75-Y92 HydrophobicContact CD2-CE2 4.3Å; Y75-Y92 AromaticContact CD2-CZ 3.64Å; Y75-Y92 AromaticContact CE2-CD1 3.67Å; Y75-Y92 HydrophobicContact CE2-CD1 3.67Å; Y75-Y92 AromaticContact CE2-CE1 3.46Å; Y75-Y92 HydrophobicContact CE2-CE1 3.46Å; Y75-Y92 VanDerWaalsContact CE2-CE1 3.46Å; Y75-Y92 HydrophobicContact CE2-CG 4.42Å; N90-Y92 PolarHBondContact O-N 2.97Å; N90-Y92 WeakPolarHBondContact OD1-CD2 3.44Å; N90-Y92 PolarHBondContact OD1-N 3.44Å; N90-Y92 VanDerWaalsContact OD1-N 3.09Å
93T89.3Confident89.2Confident45 Ų4569.3 Ų69.328%0.27637%0.368SS..THydrogen-bonded Turntrans-129.2-22.5-174540000114.3N90 V95N90-T93 PolarHBondContact O-N 3.42Å; N90-T93 PolarHBondContact O-OG1 2.99Å; T93-V95 PolarHBondContact O-N 3.16Å
94E91.9Very high89.5Confident34 Ų3469.8 Ų69.816%0.15937%0.374CS..  trans-70.6121.8-178-169.751.7-10200111.8A24 D89 N90 E117 I120A24-E94 WeakPolarHBondContact CB-O 3.22Å; D89-E94 WeakPolarHBondContact CA-OE2 3.37Å; D89-E94 HydrophobicContact CB-CG 4.48Å; D89-E94 WeakPolarHBondContact CB-OE2 3.36Å; N90-E94 WeakPolarHBondContact O-CB 3.04Å; N90-E94 PolarHBondContact O-N 2.76Å; E94-E117 HydrophobicContact CG-CG 4.23Å; E94-I120 HydrophobicContact CB-CD1 3.71Å; E94-I120 HydrophobicContact CG-CD1 3.95Å
95V94.3Very high89.9Confident58 Ų5874.4 Ų74.435%0.35239%0.39SS..  trans-93.7128.5-172.6176.90000109K23 T93K23-V95 HydrophobicContact CB-CG2 3.49Å; K23-V95 VanDerWaalsContact CB-CG2 3.49Å; K23-V95 HydrophobicContact CD-CG2 4.23Å; K23-V95 HydrophobicContact CG-CG2 4.48Å; T93-V95 PolarHBondContact O-N 3.16Å
96Y96.6Very high90.6Very high6 Ų672.1 Ų72.12%0.02439%0.385CS..  trans-120.4167.2-178.150.2-106.4000112Q27 F28 M31 Y98 E117 I120 C121 D124Q27-Y96 HydrophobicContact CB-CE2 3.75Å; Q27-Y96 WeakPolarHBondContact CB-OH 3.37Å; Q27-Y96 HydrophobicContact CG-CE2 4.49Å; Q27-Y96 PolarHBondContact NE2-O 3.31Å; F28-Y96 PolarHBondContact N-OH 3.27Å; M31-Y96 HydrophobicContact CE-CD2 4.24Å; M31-Y96 HydrophobicContact CE-CE2 3.47Å; M31-Y96 VanDerWaalsContact CE-CE2 3.47Å; Y96-Y98 HydrophobicContact CD2-CD1 4.12Å; Y96-Y98 AromaticContact CE2-CD1 3.87Å; Y96-Y98 HydrophobicContact CE2-CD1 3.87Å; Y96-Y98 HydrophobicContact CE2-CE1 4.46Å; Y96-E117 WeakPolarHBondContact CB-O 3.14Å; Y96-I120 HydrophobicContact CD1-CB 4.3Å; Y96-I120 HydrophobicContact CD1-CG2 3.84Å; Y96-I120 HydrophobicContact CE1-CG2 3.77Å; Y96-C121 HydrophobicContact CD1-CB 4.13Å; Y96-C121 HydrophobicContact CD2-CB 3.6Å; Y96-C121 HydrophobicContact CE2-CB 4.19Å; Y96-C121 HydrophobicContact CG-CB 3.58Å; Y96-D124 WeakPolarHBondContact CE1-OD2 3.37Å; Y96-D124 VanDerWaalsContact CZ-OD2 3.27Å; Y96-D124 PolarHBondContact OH-OD2 3.15Å
97S98.3Very high91.9Very high30 Ų3068 Ų6821%0.2136%0.358CS..  trans-100.3125.3177.6-1730000111.4T110 Q112 N113S97-T110 VanDerWaalsContact CB-OG1 3.3Å; S97-T110 WeakPolarHBondContact CB-OG1 3.19Å; S97-T110 PolarHBondContact O-N 2.94Å; S97-T110 PolarHBondContact OG-OG1 3.25Å; S97-Q112 PolarHBondContact OG-OE1 3.46Å; S97-N113 WeakPolarHBondContact CA-OD1 3.4Å; S97-N113 WeakPolarHBondContact CB-OD1 3.34Å; S97-N113 PolarHBondContact N-OD1 2.95Å; S97-N113 PolarHBondContact O-ND2 2.94Å; S97-N113 PolarHBondContact O-OD1 3.44Å
98Y98.6Very high93.3Very high60 Ų6062.5 Ų62.524%0.23533%0.333CS..EExtended strand (participates in β ladder)trans-143.3165.6177.377.6-82000111.5Q27 A30 M31 Y96 L107 S108Q27-Y98 HydrophobicContact CB-CE1 3.99Å; Q27-Y98 HydrophobicContact CG-CE1 4.16Å; A30-Y98 WeakPolarHBondContact CB-OH 3.39Å; M31-Y98 VanDerWaalsContact CE-CB 3.45Å; M31-Y98 HydrophobicContact CE-CD1 3.78Å; M31-Y98 HydrophobicContact CE-CD2 3.7Å; M31-Y98 HydrophobicContact CE-CE1 4.47Å; M31-Y98 HydrophobicContact CE-CE2 4.41Å; M31-Y98 HydrophobicContact CE-CG 3.36Å; M31-Y98 HydrophobicContact CG-CD2 4.04Å; M31-Y98 HydrophobicContact CG-CE2 3.91Å; Y96-Y98 HydrophobicContact CD2-CD1 4.12Å; Y96-Y98 AromaticContact CE2-CD1 3.87Å; Y96-Y98 HydrophobicContact CE2-CD1 3.87Å; Y96-Y98 HydrophobicContact CE2-CE1 4.46Å; Y98-L107 HydrophobicContact CD2-CD2 4.01Å; Y98-L107 HydrophobicContact CE2-CD2 4.18Å; Y98-S108 CarbonylContact C-O 3.59Å; Y98-S108 VanDerWaalsContact CA-O 3.29Å; Y98-S108 WeakPolarHBondContact CA-O 3.21Å
99T98.5Very high94.6Very high76 Ų7657.8 Ų57.847%0.46631%0.31SS..EExtended strand (participates in β ladder)trans-124.7146.5171.258.80000110.9L107 S108 T110T99-L107 WeakPolarHBondContact O-CA 3.38Å; T99-S108 PolarHBondContact N-O 3.11Å; T99-S108 PolarHBondContact O-N 2.02Å; T99-S108 PolarHBondContact OG1-O 2.86Å; T99-T110 HydrophobicContact CG2-CG2 3.88Å
100C98.4Very high95.5Very high44 Ų4456.9 Ų56.930%0.29731%0.306SS..EExtended strand (participates in β ladder)trans-119121.1168.1170.50000109.3C34 E102 L107C34-C100 HydrophobicContact CB-CB 3.82Å; C34-C100 WeakPolarHBondContact CB-SG 3.19Å; C34-C100 WeakPolarHBondContact SG-CB 3.48Å; C34-C100 CovalentContact SG-SG 2.01Å; C34-C100 PolarHBondContact SG-SG 3.36Å; C100-E102 PolarHBondContact O-N 3.03Å; C100-E102 WeakPolarHBondContact SG-CG 3.44Å; C100-L107 HydrophobicContact CB-CD2 4Å
101D97.9Very high96.1Very high66 Ų6661.8 Ų61.835%0.35333%0.332SS..EExtended strand (participates in β ladder)trans-89.393.3161-179.7-16.3000107.8A103 N104 R105 K106D101-A103 PolarHBondContact O-N 3.08Å; D101-A103 PolarHBondContact OD1-N 3.4Å; D101-N104 VanDerWaalsContact CG-ND2 3.34Å; D101-N104 CarbonylContact O-C 3.57Å; D101-N104 PolarHBondContact O-N 2.89Å; D101-N104 PolarHBondContact OD1-N 3.48Å; D101-N104 VanDerWaalsContact OD1-N 3.09Å; D101-N104 PolarHBondContact OD1-ND2 3.01Å; D101-N104 PolarHBondContact OD2-ND2 3.44Å; D101-R105 WeakPolarHBondContact O-CA 2.98Å; D101-R105 PolarHBondContact O-N 2.92Å; D101-K106 HydrophobicContact CB-CB 4.23Å; D101-K106 PolarHBondContact N-O 3.3Å; D101-K106 PolarHBondContact O-N 3.31Å; D101-K106 VanDerWaalsContact O-N 3.09Å
102E95.9Very high96.5Very high139 Ų13968.7 Ų68.765%0.6536%0.364SS*.THydrogen-bonded Turntrans-61.2-32.9-176.6-67-178.9-171.300112.7C100 R105C100-E102 PolarHBondContact O-N 3.03Å; C100-E102 WeakPolarHBondContact SG-CG 3.44Å; E102-R105 WeakPolarHBondContact O-CD 3.02Å; E102-R105 PolarHBondContact O-NE 2.86Å
103A96.6Very high96.9Very high93 Ų9366.2 Ų66.277%0.76936%0.356SS*.THydrogen-bonded Turntrans-69.4-37.8-178.500000111.4D101D101-A103 PolarHBondContact O-N 3.08Å; D101-A103 PolarHBondContact OD1-N 3.4Å
104N97.3Very high97.2Very high117 Ų11768.3 Ų68.363%0.62637%0.366SS*.THydrogen-bonded Turntrans-101.51.9-179.4-63-65.6000113.9D101 K106D101-N104 VanDerWaalsContact CG-ND2 3.34Å; D101-N104 CarbonylContact O-C 3.57Å; D101-N104 PolarHBondContact O-N 2.89Å; D101-N104 PolarHBondContact OD1-N 3.48Å; D101-N104 VanDerWaalsContact OD1-N 3.09Å; D101-N104 PolarHBondContact OD1-ND2 3.01Å; D101-N104 PolarHBondContact OD2-ND2 3.44Å; N104-K106 VanDerWaalsContact C-N 3.31Å; N104-K106 PolarHBondContact O-N 2.85Å
105R97.3Very high97.5Very high100 Ų10072.7 Ų72.738%0.37739%0.386SS..THydrogen-bonded Turntrans49.952.3-175.8-55.1-64.7173.8-167-6.7111.3C34 M35 D101 E102C34-R105 WeakPolarHBondContact O-CD 3.42Å; C34-R105 PolarHBondContact O-NH1 3.19Å; M35-R105 HydrophobicContact CE-CB 4.42Å; M35-R105 WeakPolarHBondContact CE-O 3.1Å; M35-R105 HydrophobicContact SD-CB 4.49Å; D101-R105 WeakPolarHBondContact O-CA 2.98Å; D101-R105 PolarHBondContact O-N 2.92Å; E102-R105 WeakPolarHBondContact O-CD 3.02Å; E102-R105 PolarHBondContact O-NE 2.86Å
106K98Very high97.5Very high123 Ų12370 Ų7054%0.53537%0.37SS..EExtended strand (participates in β ladder)trans-122.9120.3-176.5-175.7-177.4178-175.80111D101 N104D101-K106 HydrophobicContact CB-CB 4.23Å; D101-K106 PolarHBondContact N-O 3.3Å; D101-K106 PolarHBondContact O-N 3.31Å; D101-K106 VanDerWaalsContact O-N 3.09Å; N104-K106 VanDerWaalsContact C-N 3.31Å; N104-K106 PolarHBondContact O-N 2.85Å
107L98.6Very high97.5Very high4 Ų471.8 Ų71.82%0.02138%0.378CS..EExtended strand (participates in β ladder)trans-95.5151.1172-70.8166.3000111.1M31 C34 M35 Y98 T99 C100 R125 A128M31-L107 HydrophobicContact CB-CD1 3.76Å; M31-L107 HydrophobicContact CB-CD2 4.18Å; M31-L107 HydrophobicContact CG-CD1 4.12Å; M31-L107 HydrophobicContact CG-CD2 3.9Å; M31-L107 HydrophobicContact SD-CD1 4.42Å; C34-L107 HydrophobicContact CB-CD2 3.78Å; C34-L107 HydrophobicContact CB-CG 4.25Å; C34-L107 VanDerWaalsContact SG-CD2 3.56Å; M35-L107 HydrophobicContact CG-CD1 3.67Å; M35-L107 HydrophobicContact CG-CG 4.35Å; M35-L107 HydrophobicContact SD-CD1 3.89Å; M35-L107 HydrophobicContact SD-CG 4.01Å; Y98-L107 HydrophobicContact CD2-CD2 4.01Å; Y98-L107 HydrophobicContact CE2-CD2 4.18Å; T99-L107 WeakPolarHBondContact O-CA 3.38Å; C100-L107 HydrophobicContact CB-CD2 4Å; L107-R125 HydrophobicContact CB-CG 3.63Å; L107-R125 HydrophobicContact CD1-CG 4.28Å; L107-A128 HydrophobicContact CD1-CB 3.89Å
108S98.5Very high97.5Very high42 Ų4273.2 Ų73.229%0.29438%0.382SS..EExtended strand (participates in β ladder)trans-151.6128.4171-62.10000110.2Y98 T99Y98-S108 CarbonylContact C-O 3.59Å; Y98-S108 VanDerWaalsContact CA-O 3.29Å; Y98-S108 WeakPolarHBondContact CA-O 3.21Å; T99-S108 PolarHBondContact N-O 3.11Å; T99-S108 PolarHBondContact O-N 2.02Å; T99-S108 PolarHBondContact OG1-O 2.86Å
109C98.7Very high97.5Very high19 Ų1973.3 Ų73.313%0.12838%0.384CS..EExtended strand (participates in β ladder)trans-74.2136.3166.9-64.50000109.2M118 C121 E122C109-M118 HydrophobicContact CB-CE 4.42Å; C109-M118 HydrophobicContact CB-SD 3.52Å; C109-M118 VanDerWaalsContact CB-SD 3.52Å; C109-C121 WeakPolarHBondContact CA-SG 3.47Å; C109-C121 HydrophobicContact CB-CB 3.88Å; C109-C121 WeakPolarHBondContact CB-SG 3.46Å; C109-C121 WeakPolarHBondContact SG-CB 3.46Å; C109-C121 PolarHBondContact SG-O 3.37Å; C109-C121 CovalentContact SG-SG 2.03Å; C109-C121 PolarHBondContact SG-SG 3.18Å; C109-E122 HydrophobicContact CB-CG 4.39Å
110T98.3Very high97.4Very high20 Ų2069.7 Ų69.712%0.12336%0.362CS..  trans-95.1159-172.184.40000111.9S97 T99 Q112 N113 M118S97-T110 VanDerWaalsContact CB-OG1 3.3Å; S97-T110 WeakPolarHBondContact CB-OG1 3.19Å; S97-T110 PolarHBondContact O-N 2.94Å; S97-T110 PolarHBondContact OG-OG1 3.25Å; T99-T110 HydrophobicContact CG2-CG2 3.88Å; T110-Q112 PolarHBondContact O-N 3.2Å; T110-Q112 VanDerWaalsContact O-N 3.11Å; T110-Q112 WeakPolarHBondContact OG1-CB 3.27Å; T110-Q112 PolarHBondContact OG1-N 3.47Å; T110-N113 WeakPolarHBondContact O-CB 3.45Å; T110-N113 PolarHBondContact O-N 3.5Å; T110-N113 PolarHBondContact O-ND2 3.34Å; T110-M118 WeakPolarHBondContact O-CE 3.27Å
111N97.6Very high97.4Very high151 Ų15167.6 Ų67.681%0.80735%0.348SS*.THydrogen-bonded Turntrans-72.66.3174.968.6-27.6000114.1
112Q97.6Very high97.5Very high146 Ų14666.6 Ų66.668%0.68234%0.341SS*.THydrogen-bonded Turntrans-77.5-16.8169.5-61.4171.216.400111.5S97 T110S97-Q112 PolarHBondContact OG-OE1 3.46Å; T110-Q112 PolarHBondContact O-N 3.2Å; T110-Q112 VanDerWaalsContact O-N 3.11Å; T110-Q112 WeakPolarHBondContact OG1-CB 3.27Å; T110-Q112 PolarHBondContact OG1-N 3.47Å
113N97.4Very high97.6Very high18 Ų1860.1 Ų60.110%0.09631%0.311CS..SBendtrans-74.7138.7178.5-65.4-17.6000111.2S97 T110 E117 M118S97-N113 WeakPolarHBondContact CA-OD1 3.4Å; S97-N113 WeakPolarHBondContact CB-OD1 3.34Å; S97-N113 PolarHBondContact N-OD1 2.95Å; S97-N113 PolarHBondContact O-ND2 2.94Å; S97-N113 PolarHBondContact O-OD1 3.44Å; T110-N113 WeakPolarHBondContact O-CB 3.45Å; T110-N113 PolarHBondContact O-N 3.5Å; T110-N113 PolarHBondContact O-ND2 3.34Å; N113-E117 WeakPolarHBondContact CA-OE2 3.27Å; N113-E117 HydrophobicContact CB-CB 3.72Å; N113-M118 HydrophobicContact CB-CB 3.87Å; N113-M118 HydrophobicContact CB-CE 4.22Å
114D96.1Very high97.7Very high89 Ų8955.7 Ų55.748%0.47627%0.274SS..  trans-69.7-177.815972.131.6000111.7C116 E117 M118D114-C116 VanDerWaalsContact C-N 3.34Å; D114-C116 PolarHBondContact O-N 2.89Å; D114-C116 WeakPolarHBondContact OD1-CA 3.38Å; D114-C116 PolarHBondContact OD1-N 3.39Å; D114-E117 PolarHBondContact N-OE2 3.05Å; D114-E117 WeakPolarHBondContact OD1-CG 2.97Å; D114-E117 PolarHBondContact OD1-N 3.25Å; D114-M118 WeakPolarHBondContact O-CB 3.45Å; D114-M118 PolarHBondContact O-N 3.11Å
115E96.3Very high97.8Very high125 Ų12552 Ų5258%0.58425%0.252SS*.Hα-helixtrans-64.5-36.4-176.6-65.4-167.9-170.500112.8E83 F119E83-E115 HydrophobicContact CB-CB 3.96Å; E83-E115 HydrophobicContact CG-CB 3.94Å; E83-E115 HydrophobicContact CG-CG 4.46Å; E83-E115 WeakPolarHBondContact CG-OE2 3.47Å; E115-F119 WeakPolarHBondContact O-CB 3.39Å; E115-F119 PolarHBondContact O-N 3.02Å; E115-F119 VanDerWaalsContact O-N 3.11Å
116C95.6Very high97.8Very high2 Ų252.6 Ų52.61%0.01426%0.257CS..Hα-helixtrans-73-50.8179.4-1740000111.2C84 D114 M118 F119 I120C84-C116 WeakPolarHBondContact CA-SG 3.3Å; C84-C116 HydrophobicContact CB-CB 4.04Å; C84-C116 WeakPolarHBondContact CB-SG 3.42Å; C84-C116 WeakPolarHBondContact SG-CA 3.01Å; C84-C116 WeakPolarHBondContact SG-CB 3.24Å; C84-C116 CovalentContact SG-SG 2.04Å; C84-C116 PolarHBondContact SG-SG 3.05Å; D114-C116 VanDerWaalsContact C-N 3.34Å; D114-C116 PolarHBondContact O-N 2.89Å; D114-C116 WeakPolarHBondContact OD1-CA 3.38Å; D114-C116 PolarHBondContact OD1-N 3.39Å; C116-M118 VanDerWaalsContact C-N 3.26Å; C116-M118 PolarHBondContact O-N 3.07Å; C116-F119 WeakPolarHBondContact O-CB 3.04Å; C116-F119 PolarHBondContact O-N 3.06Å; C116-F119 VanDerWaalsContact O-N 3.13Å; C116-I120 WeakPolarHBondContact O-CG1 3.29Å; C116-I120 PolarHBondContact O-N 3.13Å
117E96.8Very high97.9Very high44 Ų4447 Ų4721%0.20623%0.233CC..Hα-helixtrans-57-41.5177.2-68.7168.9155.200110.9E94 Y96 N113 D114 C121E94-E117 HydrophobicContact CG-CG 4.23Å; Y96-E117 WeakPolarHBondContact CB-O 3.14Å; N113-E117 WeakPolarHBondContact CA-OE2 3.27Å; N113-E117 HydrophobicContact CB-CB 3.72Å; D114-E117 PolarHBondContact N-OE2 3.05Å; D114-E117 WeakPolarHBondContact OD1-CG 2.97Å; D114-E117 PolarHBondContact OD1-N 3.25Å; E117-C121 WeakPolarHBondContact O-CB 3.45Å; E117-C121 PolarHBondContact O-N 3.25Å
118M97.9Very high97.9Very high59 Ų5946.8 Ų46.829%0.29123%0.232SC..Hα-helixtrans-65.9-42.9178.4-179.962.778.300111.3C109 T110 N113 D114 C116 C121 E122C109-M118 HydrophobicContact CB-CE 4.42Å; C109-M118 HydrophobicContact CB-SD 3.52Å; C109-M118 VanDerWaalsContact CB-SD 3.52Å; T110-M118 WeakPolarHBondContact O-CE 3.27Å; N113-M118 HydrophobicContact CB-CB 3.87Å; N113-M118 HydrophobicContact CB-CE 4.22Å; D114-M118 WeakPolarHBondContact O-CB 3.45Å; D114-M118 PolarHBondContact O-N 3.11Å; C116-M118 VanDerWaalsContact C-N 3.26Å; C116-M118 PolarHBondContact O-N 3.07Å; M118-C121 PolarHBondContact O-N 3.42Å; M118-E122 WeakPolarHBondContact O-CB 3.13Å; M118-E122 WeakPolarHBondContact O-CG 3.39Å; M118-E122 PolarHBondContact O-N 3.12Å; M118-E122 HydrophobicContact SD-CG 4.19Å
119F97.6Very high97.9Very high62 Ų6246.6 Ų46.627%0.27223%0.227SC..Hα-helixtrans-60.9-49.7179.6-166.9-76.6000111C74 D77 A78 H81 E115 C116 E122 C123C74-F119 WeakPolarHBondContact O-CE1 3.2Å; D77-F119 HydrophobicContact CB-CE1 4.15Å; D77-F119 HydrophobicContact CB-CZ 3.85Å; A78-F119 HydrophobicContact CB-CD1 3.63Å; A78-F119 HydrophobicContact CB-CE1 3.8Å; H81-F119 AromaticContact CD2-CD2 3.7Å; H81-F119 AromaticContact CD2-CE2 3.92Å; E115-F119 WeakPolarHBondContact O-CB 3.39Å; E115-F119 PolarHBondContact O-N 3.02Å; E115-F119 VanDerWaalsContact O-N 3.11Å; C116-F119 WeakPolarHBondContact O-CB 3.04Å; C116-F119 PolarHBondContact O-N 3.06Å; C116-F119 VanDerWaalsContact O-N 3.13Å; F119-E122 PolarHBondContact O-N 3.44Å; F119-C123 PolarHBondContact O-N 2.04Å; F119-C123 VanDerWaalsContact O-N 3.08Å; F119-C123 PolarHBondContact O-SG 2.8Å
120I97.6Very high97.9Very high0 Ų047.7 Ų47.70%023%0.234CC..Hα-helixtrans-64.9-45.8179.8-62.7163.9000110.5Y75 A78 P91 E94 Y96 C116 E122 C123 D124Y75-I120 HydrophobicContact CE1-CG2 4.32Å; A78-I120 HydrophobicContact CB-CG1 3.95Å; P91-I120 HydrophobicContact CB-CD1 4.31Å; P91-I120 HydrophobicContact CB-CG1 4.11Å; P91-I120 HydrophobicContact CB-CG2 4.02Å; E94-I120 HydrophobicContact CB-CD1 3.71Å; E94-I120 HydrophobicContact CG-CD1 3.95Å; Y96-I120 HydrophobicContact CD1-CB 4.3Å; Y96-I120 HydrophobicContact CD1-CG2 3.84Å; Y96-I120 HydrophobicContact CE1-CG2 3.77Å; C116-I120 WeakPolarHBondContact O-CG1 3.29Å; C116-I120 PolarHBondContact O-N 3.13Å; I120-E122 VanDerWaalsContact C-N 3.26Å; I120-E122 PolarHBondContact O-N 2.95Å; I120-C123 VanDerWaalsContact O-CB 3.31Å; I120-C123 WeakPolarHBondContact O-CB 2.96Å; I120-C123 PolarHBondContact O-N 2.9Å; I120-D124 PolarHBondContact O-N 3.21Å; I120-D124 VanDerWaalsContact O-N 3.12Å
121C98.4Very high97.9Very high0 Ų047 Ų470%023%0.23CC..Hα-helixtrans-55.4-42.3175.9-178.20000111.9Y96 C109 E117 M118 D124 R125Y96-C121 HydrophobicContact CD1-CB 4.13Å; Y96-C121 HydrophobicContact CD2-CB 3.6Å; Y96-C121 HydrophobicContact CE2-CB 4.19Å; Y96-C121 HydrophobicContact CG-CB 3.58Å; C109-C121 WeakPolarHBondContact CA-SG 3.47Å; C109-C121 HydrophobicContact CB-CB 3.88Å; C109-C121 WeakPolarHBondContact CB-SG 3.46Å; C109-C121 WeakPolarHBondContact SG-CB 3.46Å; C109-C121 PolarHBondContact SG-O 3.37Å; C109-C121 CovalentContact SG-SG 2.03Å; C109-C121 PolarHBondContact SG-SG 3.18Å; E117-C121 WeakPolarHBondContact O-CB 3.45Å; E117-C121 PolarHBondContact O-N 3.25Å; M118-C121 PolarHBondContact O-N 3.42Å; C121-D124 PolarHBondContact O-N 2.94Å; C121-R125 VanDerWaalsContact O-CB 3.31Å; C121-R125 WeakPolarHBondContact O-CB 3.42Å; C121-R125 PolarHBondContact O-N 3.09Å
122E98.6Very high98Very high45 Ų4541.8 Ų41.821%0.2121%0.205CC..Hα-helixtrans-70.9-29.4179-80.3-66.4141.600113.1C109 M118 F119 I120 R125 K126C109-E122 HydrophobicContact CB-CG 4.39Å; M118-E122 WeakPolarHBondContact O-CB 3.13Å; M118-E122 WeakPolarHBondContact O-CG 3.39Å; M118-E122 PolarHBondContact O-N 3.12Å; M118-E122 HydrophobicContact SD-CG 4.19Å; F119-E122 PolarHBondContact O-N 3.44Å; I120-E122 VanDerWaalsContact C-N 3.26Å; I120-E122 PolarHBondContact O-N 2.95Å; E122-R125 VanDerWaalsContact CD-NE 3.31Å; E122-R125 IonicContact OE1-CZ 2.7Å; E122-R125 IonicContact OE1-NE 3.45Å; E122-R125 PolarHBondContact OE1-NE 3.12Å; E122-R125 IonicContact OE1-NH2 3.89Å; E122-R125 IonicContact OE2-CZ 3.91Å; E122-R125 VanDerWaalsContact OE2-CZ 3.28Å; E122-R125 IonicContact OE2-NE 3.54Å; E122-R125 PolarHBondContact OE2-NE 3.1Å; E122-R125 IonicContact OE2-NH2 2.99Å; E122-R125 PolarHBondContact OE2-NH2 3.29Å; E122-K126 WeakPolarHBondContact O-CB 3.34Å; E122-K126 WeakPolarHBondContact O-CD 3.31Å; E122-K126 WeakPolarHBondContact O-CG 3.4Å; E122-K126 PolarHBondContact O-N 2.75Å; E122-K126 VanDerWaalsContact O-N 3.15Å; E122-K126 WeakPolarHBondContact OE2-CE 3.19Å
123C98.6Very high98Very high3 Ų344.1 Ų44.12%0.0221%0.207CC..Hα-helixtrans-59.7-52.6168.9-62.50000110.2C74 Y75 F119 I120 K126 A127C74-C123 HydrophobicContact CB-CB 3.71Å; C74-C123 WeakPolarHBondContact CB-SG 3.42Å; C74-C123 WeakPolarHBondContact SG-CA 3.33Å; C74-C123 WeakPolarHBondContact SG-CB 3.4Å; C74-C123 CovalentContact SG-SG 2.03Å; C74-C123 PolarHBondContact SG-SG 3Å; Y75-C123 HydrophobicContact CD1-CB 3.93Å; Y75-C123 HydrophobicContact CE1-CB 3.9Å; F119-C123 PolarHBondContact O-N 2.04Å; F119-C123 VanDerWaalsContact O-N 3.08Å; F119-C123 PolarHBondContact O-SG 2.8Å; I120-C123 VanDerWaalsContact O-CB 3.31Å; I120-C123 WeakPolarHBondContact O-CB 2.96Å; I120-C123 PolarHBondContact O-N 2.9Å; C123-K126 PolarHBondContact O-N 3.27Å; C123-A127 WeakPolarHBondContact O-CB 3.46Å; C123-A127 PolarHBondContact O-N 2.85Å
124D98.8Very high98Very high0 Ų044.6 Ų44.60%021%0.212CC..Hα-helixtrans-66.6-42.8-176.8-73-7.2000112.2F28 M31 H71 Y75 Y96 I120 C121 K126 A127 A128F28-D124 HydrophobicContact CB-CB 4.29Å; F28-D124 WeakPolarHBondContact CB-OD2 3.45Å; F28-D124 HydrophobicContact CD2-CB 3.63Å; F28-D124 HydrophobicContact CE2-CB 4.29Å; F28-D124 WeakPolarHBondContact CE2-O 3.45Å; F28-D124 HydrophobicContact CG-CB 4.16Å; M31-D124 HydrophobicContact SD-CB 3.71Å; H71-D124 IonicContact CD2-OD1 2.68Å; H71-D124 IonicContact CE1-OD1 2.76Å; H71-D124 IonicContact NE2-OD1 3.95Å; H71-D124 PolarHBondContact NE2-OD1 2.89Å; Y75-D124 VanDerWaalsContact CE1-OD1 3.27Å; Y75-D124 WeakPolarHBondContact CE1-OD1 3.48Å; Y75-D124 PolarHBondContact OH-OD1 3.21Å; Y75-D124 PolarHBondContact OH-OD2 2.73Å; Y96-D124 WeakPolarHBondContact CE1-OD2 3.37Å; Y96-D124 VanDerWaalsContact CZ-OD2 3.27Å; Y96-D124 PolarHBondContact OH-OD2 3.15Å; I120-D124 PolarHBondContact O-N 3.21Å; I120-D124 VanDerWaalsContact O-N 3.12Å; C121-D124 PolarHBondContact O-N 2.94Å; D124-K126 VanDerWaalsContact C-N 3.35Å; D124-K126 PolarHBondContact O-N 3.09Å; D124-A127 PolarHBondContact O-N 3.22Å; D124-A128 WeakPolarHBondContact O-CB 3.4Å; D124-A128 PolarHBondContact O-N 3.13Å
125R98.8Very high98.1Very high41 Ų4148.4 Ų48.416%0.15523%0.227CC..Hα-helixtrans-57.2-48.7176.4-173.3-171.87067.212.1111.2M31 L107 C121 E122 A128 E129M31-R125 HydrophobicContact SD-CB 4.22Å; M31-R125 PolarHBondContact SD-N 3.39Å; L107-R125 HydrophobicContact CB-CG 3.63Å; L107-R125 HydrophobicContact CD1-CG 4.28Å; C121-R125 VanDerWaalsContact O-CB 3.31Å; C121-R125 WeakPolarHBondContact O-CB 3.42Å; C121-R125 PolarHBondContact O-N 3.09Å; E122-R125 VanDerWaalsContact CD-NE 3.31Å; E122-R125 IonicContact OE1-CZ 2.7Å; E122-R125 IonicContact OE1-NE 3.45Å; E122-R125 PolarHBondContact OE1-NE 3.12Å; E122-R125 IonicContact OE1-NH2 3.89Å; E122-R125 IonicContact OE2-CZ 3.91Å; E122-R125 VanDerWaalsContact OE2-CZ 3.28Å; E122-R125 IonicContact OE2-NE 3.54Å; E122-R125 PolarHBondContact OE2-NE 3.1Å; E122-R125 IonicContact OE2-NH2 2.99Å; E122-R125 PolarHBondContact OE2-NH2 3.29Å; R125-A128 PolarHBondContact O-N 2.82Å; R125-E129 IonicContact CZ-OE1 2.73Å; R125-E129 IonicContact CZ-OE2 2.73Å; R125-E129 IonicContact NH1-OE1 2.64Å; R125-E129 PolarHBondContact NH1-OE1 2.84Å; R125-E129 IonicContact NH1-OE2 2.97Å; R125-E129 PolarHBondContact NH1-OE2 3.32Å; R125-E129 WeakPolarHBondContact O-CG 3.48Å; R125-E129 PolarHBondContact O-N 2.77Å
126K98.9Very high98.2Very high112 Ų11246.7 Ų46.749%0.48722%0.215SC..Hα-helixtrans-67.4-39-178.6-72.3169.8-170.1163.20111.5E122 C123 D124 E129 C130E122-K126 WeakPolarHBondContact O-CB 3.34Å; E122-K126 WeakPolarHBondContact O-CD 3.31Å; E122-K126 WeakPolarHBondContact O-CG 3.4Å; E122-K126 PolarHBondContact O-N 2.75Å; E122-K126 VanDerWaalsContact O-N 3.15Å; E122-K126 WeakPolarHBondContact OE2-CE 3.19Å; C123-K126 PolarHBondContact O-N 3.27Å; D124-K126 VanDerWaalsContact C-N 3.35Å; D124-K126 PolarHBondContact O-N 3.09Å; K126-E129 PolarHBondContact O-N 3.46Å; K126-C130 WeakPolarHBondContact O-CB 3.48Å; K126-C130 PolarHBondContact O-N 2.91Å
127A98.8Very high98.3Very high4 Ų448.8 Ų48.83%0.03323%0.226CC..Hα-helixtrans-62.3-47.7175.100000111.2F28 H71 C123 D124 E129 C130 F131F28-A127 HydrophobicContact CE2-CB 3.77Å; F28-A127 HydrophobicContact CZ-CB 3.73Å; H71-A127 HydrophobicContact CB-CB 4.03Å; C123-A127 WeakPolarHBondContact O-CB 3.46Å; C123-A127 PolarHBondContact O-N 2.85Å; D124-A127 PolarHBondContact O-N 3.22Å; A127-E129 PolarHBondContact O-N 3.06Å; A127-C130 WeakPolarHBondContact O-CB 2.97Å; A127-C130 PolarHBondContact O-N 2.01Å; A127-C130 VanDerWaalsContact O-N 3.08Å; A127-F131 VanDerWaalsContact O-CD1 3.27Å; A127-F131 WeakPolarHBondContact O-CD1 3.33Å; A127-F131 VanDerWaalsContact O-CG 3.27Å; A127-F131 WeakPolarHBondContact O-CG 3.5Å; A127-F131 PolarHBondContact O-N 2.94Å
128A98.8Very high98.3Very high0 Ų050.3 Ų50.30%024%0.24CC..Hα-helixtrans-61.1-41.6177.700000112.7F28 M31 I32 M35 L107 D124 R125 C130 S132F28-A128 HydrophobicContact CE2-CB 4.46Å; M31-A128 HydrophobicContact CB-CB 3.94Å; I32-A128 HydrophobicContact CG1-CB 4.2Å; M35-A128 HydrophobicContact CG-CB 4.06Å; L107-A128 HydrophobicContact CD1-CB 3.89Å; D124-A128 WeakPolarHBondContact O-CB 3.4Å; D124-A128 PolarHBondContact O-N 3.13Å; R125-A128 PolarHBondContact O-N 2.82Å; A128-C130 VanDerWaalsContact C-N 3.32Å; A128-S132 PolarHBondContact O-N 3.39Å; A128-S132 VanDerWaalsContact O-N 3.15Å
129E98.8Very high98.3Very high38 Ų3854.7 Ų54.718%0.17826%0.26CS..Hα-helixtrans-67.6-31.1174-76.1-179.9-176.100113.4M35 R125 K126 A127 S132 R133M35-E129 HydrophobicContact CE-CG 3.89Å; M35-E129 HydrophobicContact SD-CG 4.23Å; R125-E129 IonicContact CZ-OE1 2.73Å; R125-E129 IonicContact CZ-OE2 2.73Å; R125-E129 IonicContact NH1-OE1 2.64Å; R125-E129 PolarHBondContact NH1-OE1 2.84Å; R125-E129 IonicContact NH1-OE2 2.97Å; R125-E129 PolarHBondContact NH1-OE2 3.32Å; R125-E129 WeakPolarHBondContact O-CG 3.48Å; R125-E129 PolarHBondContact O-N 2.77Å; K126-E129 PolarHBondContact O-N 3.46Å; A127-E129 PolarHBondContact O-N 3.06Å; E129-S132 PolarHBondContact O-OG 3.33Å; E129-S132 VanDerWaalsContact O-OG 3.12Å; E129-R133 WeakPolarHBondContact O-CG 3.46Å
130C98.9Very high98.3Very high42 Ų4253.1 Ų53.128%0.28425%0.253SS..Hα-helixtrans-70.4-48.1175.9-168.20000110.1C67 K126 A127 A128 S132 R133 S134C67-C130 HydrophobicContact CB-CB 3.65Å; C67-C130 WeakPolarHBondContact CB-SG 3.27Å; C67-C130 WeakPolarHBondContact SG-CB 3.49Å; C67-C130 CovalentContact SG-SG 2.02Å; C67-C130 PolarHBondContact SG-SG 2.82Å; K126-C130 WeakPolarHBondContact O-CB 3.48Å; K126-C130 PolarHBondContact O-N 2.91Å; A127-C130 WeakPolarHBondContact O-CB 2.97Å; A127-C130 PolarHBondContact O-N 2.01Å; A127-C130 VanDerWaalsContact O-N 3.08Å; A128-C130 VanDerWaalsContact C-N 3.32Å; C130-S132 PolarHBondContact O-N 3.18Å; C130-R133 PolarHBondContact O-N 2.87Å; C130-S134 PolarHBondContact O-N 3.43Å; C130-S134 PolarHBondContact O-OG 2.7Å
131F98.7Very high98.2Very high7 Ų756.4 Ų56.43%0.03127%0.268CS..Hα-helixtrans-55.1-39.7175.6-64-5.5000111.5F28 I32 L36 Y45 L64 C67 C68 A127 R133 S134F28-F131 AromaticContact CZ-CE2 3.81Å; F28-F131 HydrophobicContact CZ-CE2 3.81Å; F28-F131 HydrophobicContact CZ-CZ 4.13Å; I32-F131 HydrophobicContact CD1-CD2 4.02Å; I32-F131 HydrophobicContact CD1-CE2 3.79Å; I32-F131 HydrophobicContact CG1-CD2 4Å; I32-F131 HydrophobicContact CG1-CE2 4.2Å; I32-F131 HydrophobicContact CG2-CD2 4.42Å; L36-F131 HydrophobicContact CD1-CB 3.82Å; Y45-F131 HydrophobicContact CD2-CD2 4.18Å; Y45-F131 HydrophobicContact CD2-CE2 4.41Å; Y45-F131 HydrophobicContact CG-CD2 4.2Å; Y45-F131 HydrophobicContact CG-CE2 4.2Å; L64-F131 HydrophobicContact CD1-CB 4.04Å; L64-F131 HydrophobicContact CD1-CD1 3.36Å; L64-F131 HydrophobicContact CD1-CE1 3.94Å; L64-F131 HydrophobicContact CD1-CG 3.78Å; C67-F131 HydrophobicContact CB-CD1 3.56Å; C67-F131 HydrophobicContact CB-CE1 3.5Å; C68-F131 VanDerWaalsContact SG-CE1 3.58Å; A127-F131 VanDerWaalsContact O-CD1 3.27Å; A127-F131 WeakPolarHBondContact O-CD1 3.33Å; A127-F131 VanDerWaalsContact O-CG 3.27Å; A127-F131 WeakPolarHBondContact O-CG 3.5Å; A127-F131 PolarHBondContact O-N 2.94Å; F131-R133 PolarHBondContact O-N 3.18Å; F131-R133 VanDerWaalsContact O-N 3.12Å; F131-S134 PolarHBondContact O-N 2.96Å
132S98.2Very high98.1Very high40 Ų4061.6 Ų61.628%0.2829%0.293SS..THydrogen-bonded Turntrans-69.1-8.418092.20000114.8M35 A128 E129 C130M35-S132 WeakPolarHBondContact CE-OG 3.49Å; A128-S132 PolarHBondContact O-N 3.39Å; A128-S132 VanDerWaalsContact O-N 3.15Å; E129-S132 PolarHBondContact O-OG 3.33Å; E129-S132 VanDerWaalsContact O-OG 3.12Å; C130-S132 PolarHBondContact O-N 3.18Å
133R98.3Very high98Very high196 Ų19660.1 Ų60.174%0.7429%0.286SS*.THydrogen-bonded Turntrans-114.4-6.9179.7-62.6175-166.7-175.87112.5E129 C130 F131E129-R133 WeakPolarHBondContact O-CG 3.46Å; C130-R133 PolarHBondContact O-N 2.87Å; F131-R133 PolarHBondContact O-N 3.18Å; F131-R133 VanDerWaalsContact O-N 3.12Å
134S98.3Very high97.8Very high27 Ų2763.2 Ų63.219%0.18931%0.306CS..SBendtrans-100.1149.4178.8-60.40000110.3D63 C67 C130 F131D63-S134 PolarHBondContact O-OG 3.41Å; C67-S134 PolarHBondContact SG-OG 3.05Å; C130-S134 PolarHBondContact O-N 3.43Å; C130-S134 PolarHBondContact O-OG 2.7Å; F131-S134 PolarHBondContact O-N 2.96Å
135E97.6Very high97.4Very high170 Ų17068 Ų6879%0.79434%0.34SS*.PPolyproline II helixtrans-80.3136.3172.5-173.4171.5-177.500109.7
136W97.9Very high97.1Very high89 Ų8972.2 Ų72.234%0.33737%0.365SS..PPolyproline II helixtrans-88.8123.3171.617984.8000109.6D44 Y45 Y48 L64 P138D44-W136 PolarHBondContact O-NE1 3.46Å; Y45-W136 AromaticContact CE1-CD1 3.83Å; Y48-W136 AromaticContact CD2-CD1 3.91Å; Y48-W136 AromaticContact CD2-NE1 3.67Å; Y48-W136 AromaticContact CE2-CD1 3.64Å; Y48-W136 HydrophobicContact CE2-CG 4.32Å; Y48-W136 AromaticContact CE2-NE1 3.7Å; L64-W136 HydrophobicContact CD2-CB 4.23Å; L64-W136 HydrophobicContact CD2-CG 4.38Å; W136-P138 HydrophobicContact CH2-CB 3.57Å; W136-P138 HydrophobicContact CH2-CG 4.45Å; W136-P138 HydrophobicContact CZ2-CB 4.38Å; W136-P138 HydrophobicContact CZ3-CB 3.64Å; W136-P138 HydrophobicContact CZ3-CG 4.02Å
137N97.9Very high96.8Very high46 Ų4673.8 Ų73.825%0.24637%0.368CS..  trans-109114.2179.2-177.3-2.5000111.3Y48 E139 H140Y48-N137 WeakPolarHBondContact CE2-O 3.49Å; Y48-N137 WeakPolarHBondContact OH-CB 3.36Å; Y48-N137 PolarHBondContact OH-N 3.45Å; N137-E139 PolarHBondContact O-N 2.73Å; N137-E139 VanDerWaalsContact O-N 3.07Å; N137-E139 WeakPolarHBondContact OD1-CB 2.94Å; N137-E139 PolarHBondContact OD1-N 2.96Å; N137-H140 PolarHBondContact ND2-CE1 3.07Å; N137-H140 PolarHBondContact O-N 2.54Å
138P96.9Very high96.6Very high76 Ų7674.6 Ų74.649%0.49437%0.373SS..G310 helixtrans-60.1-22.2179.123.3-33.3000114.1W136 H140 E141W136-P138 HydrophobicContact CH2-CB 3.57Å; W136-P138 HydrophobicContact CH2-CG 4.45Å; W136-P138 HydrophobicContact CZ2-CB 4.38Å; W136-P138 HydrophobicContact CZ3-CB 3.64Å; W136-P138 HydrophobicContact CZ3-CG 4.02Å; P138-H140 PolarHBondContact O-N 3.4Å; P138-E141 PolarHBondContact O-N 2.97Å
139E97.4Very high96.1Very high151 Ų15184.2 Ų84.271%0.70642%0.418SS*.G310 helixtrans-72.1-13177.8-61.5-170.8164.700113.6N137N137-E139 PolarHBondContact O-N 2.73Å; N137-E139 VanDerWaalsContact O-N 3.07Å; N137-E139 WeakPolarHBondContact OD1-CB 2.94Å; N137-E139 PolarHBondContact OD1-N 2.96Å
140H97.6Very high96Very high28 Ų2886.5 Ų86.513%0.1343%0.43CS..G310 helixtrans-102.4-2.5179.2-61.3167.5000112.7Y48 G49 V61 D62 N137 P138Y48-H140 HydrophobicContact CD1-CB 4.4Å; Y48-H140 HydrophobicContact CD2-CB 4.29Å; Y48-H140 HydrophobicContact CE1-CB 3.86Å; Y48-H140 HydrophobicContact CE2-CB 3.79Å; G49-H140 PolarHBondContact N-O 2.97Å; V61-H140 HydrophobicContact CG2-CB 4.18Å; V61-H140 WeakPolarHBondContact CG2-ND1 3.4Å; D62-H140 IonicContact OD2-CE1 3.88Å; D62-H140 PolarHBondContact OD2-CE1 3.02Å; D62-H140 IonicContact OD2-CG 3.68Å; D62-H140 IonicContact OD2-ND1 2.73Å; D62-H140 PolarHBondContact OD2-ND1 3.31Å; N137-H140 PolarHBondContact ND2-CE1 3.07Å; N137-H140 PolarHBondContact O-N 2.54Å; P138-H140 PolarHBondContact O-N 3.4Å
141E96.4Very high95.8Very high69 Ų6988.8 Ų88.832%0.32244%0.438SS..BIsolated β-bridgetrans-64.9135.5169.2-164.1-174.2-177.600109.9P138 L143P138-E141 PolarHBondContact O-N 2.97Å; E141-L143 PolarHBondContact O-N 3.25Å
142H95.8Very high95.7Very high110 Ų11093.4 Ų93.451%0.50946%0.46SS..THydrogen-bonded Turntrans51.937.8-179.4-54.6-56.8000113.5D47 P144D47-H142 VanDerWaalsContact CG-ND1 3.3Å; D47-H142 PolarHBondContact O-N 3.29Å; D47-H142 IonicContact OD2-CE1 3.87Å; D47-H142 IonicContact OD2-CG 3.7Å; D47-H142 IonicContact OD2-ND1 3.77Å; D47-H142 PolarHBondContact OD2-ND1 2.99Å; H142-P144 WeakPolarHBondContact O-CD 3.18Å
143L96.1Very high95.5Very high13 Ų1396.5 Ų96.57%0.06847%0.471CS..  trans-60.9124.7-176.7-173.772.8000110.5V61 E141 S145 R147V61-L143 HydrophobicContact CG1-CD2 3.59Å; V61-L143 HydrophobicContact CG2-CD2 4.27Å; E141-L143 PolarHBondContact O-N 3.25Å; L143-S145 PolarHBondContact O-N 2.7Å; L143-R147 HydrophobicContact CD1-CB 4.26Å; L143-R147 VanDerWaalsContact CD1-CZ 3.48Å; L143-R147 VanDerWaalsContact CD1-NH1 3.29Å; L143-R147 HydrophobicContact CD2-CB 4.4Å; L143-R147 HydrophobicContact CG-CB 4.24Å
144P94.7Very high95.4Very high68 Ų6890.3 Ų90.344%0.44245%0.454SS..  trans-59.1134.1176.8-28.237000112.3H142 D146 R147H142-P144 WeakPolarHBondContact O-CD 3.18Å; P144-D146 WeakPolarHBondContact CB-OD1 3.46Å; P144-D146 PolarHBondContact O-N 3.31Å; P144-D146 VanDerWaalsContact O-N 3.13Å; P144-R147 HydrophobicContact CB-CG 4.48Å; P144-R147 VanDerWaalsContact O-CB 3.31Å; P144-R147 WeakPolarHBondContact O-CB 3.35Å; P144-R147 PolarHBondContact O-N 2.74Å
145S89.9Confident95.2Very high102 Ų10294.5 Ų94.571%0.71347%0.472SS*.G310 helixtrans-63.7-20.7-174.858.10000114.6L143 R147 C148L143-S145 PolarHBondContact O-N 2.7Å; S145-R147 PolarHBondContact O-N 3.22Å; S145-C148 WeakPolarHBondContact O-CB 3.45Å; S145-C148 PolarHBondContact O-N 2.83Å; S145-C148 VanDerWaalsContact O-N 3.1Å
146D92.7Very high95Very high129 Ų12989.1 Ų89.169%0.6945%0.449SS*.G310 helixtrans-70.8-11.8173.367.7-22.3000113.3P144P144-D146 WeakPolarHBondContact CB-OD1 3.46Å; P144-D146 PolarHBondContact O-N 3.31Å; P144-D146 VanDerWaalsContact O-N 3.13Å
147R93.9Very high94.8Very high145 Ų14589.2 Ų89.255%0.54746%0.457SS..G310 helixtrans-86.9-6.7170.5-59.5-175.161.5-167.5-7113.2L143 P144 S145 Q149L143-R147 HydrophobicContact CD1-CB 4.26Å; L143-R147 VanDerWaalsContact CD1-CZ 3.48Å; L143-R147 VanDerWaalsContact CD1-NH1 3.29Å; L143-R147 HydrophobicContact CD2-CB 4.4Å; L143-R147 HydrophobicContact CG-CB 4.24Å; P144-R147 HydrophobicContact CB-CG 4.48Å; P144-R147 VanDerWaalsContact O-CB 3.31Å; P144-R147 WeakPolarHBondContact O-CB 3.35Å; P144-R147 PolarHBondContact O-N 2.74Å; S145-R147 PolarHBondContact O-N 3.22Å; R147-Q149 PolarHBondContact O-N 2.8Å
148C94.2Very high94.5Very high21 Ų2192.8 Ų92.814%0.14248%0.475CS..  trans-92.497.7177.3-59.40000110C50 S145C50-C148 WeakPolarHBondContact CA-SG 3.48Å; C50-C148 HydrophobicContact CB-CB 3.72Å; C50-C148 WeakPolarHBondContact CB-SG 3.46Å; C50-C148 WeakPolarHBondContact SG-CA 3.45Å; C50-C148 WeakPolarHBondContact SG-CB 3.4Å; C50-C148 CovalentContact SG-SG 2.04Å; C50-C148 PolarHBondContact SG-SG 2.97Å; S145-C148 WeakPolarHBondContact O-CB 3.45Å; S145-C148 PolarHBondContact O-N 2.83Å; S145-C148 VanDerWaalsContact O-N 3.1Å
149Q88.8Confident94.3Very high201 Ų20194.3 Ų94.394%0.93947%0.473SS*.  trans-100.60-175.4-63-177.59.300112.9G58 T59 R147G58-Q149 CarbonylContact C-O 3.58Å; G58-Q149 WeakPolarHBondContact CA-O 3.44Å; T59-Q149 WeakPolarHBondContact CB-O 3.45Å; T59-Q149 PolarHBondContact N-O 2.97Å; T59-Q149 PolarHBondContact OG1-O 2.03Å; R147-Q149 PolarHBondContact O-N 2.8Å

Retrieved 149 of 149 residues in 237.4 ms (Link to these results)

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