A0A087YC19_POEFO Loading...

Phosphoserine phosphatase

Catalyzes the last irreversible step in the biosynthesis of L-serine from carbohydrates, the dephosphorylation of O-phospho-L-serine to L-serine. L-serine can then be used in protein synthesis, to produce other amino acids, in nucleotide metabolism or in glutathione synthesis, or can be racemized to D-serine, a neuromodulator. May also act on O-phospho-D-serine.

AlphaFold DB , UniProt , Accession A0A087YC19, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 244 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
1M42.2Very low38.7Very low239 Ų239160 Ų160100%1.17784%0.836SS**  0111.80-75.3168.4132.300105.9
2L37.7Very low38.3Very low171 Ų171155.7 Ų155.790%0.89581%0.814SS**  -152129.161.2-81.6112.8000110.3
3K37.6Very low38Very low208 Ų208152.8 Ų152.890%0.90481%0.81SS**PPolyproline II helixtrans-83.2125.8165.5-77.1-179.8174.4-179.90108.2
4R37.8Very low38.1Very low238 Ų238152.2 Ų152.290%0.89881%0.807SS**PPolyproline II helixtrans-77.1132.2165.1-69.8-178.9176.2-175.1-1.4108.4
5P40.9Very low38.2Very low105 Ų105152.8 Ų152.868%0.68281%0.809SS**PPolyproline II helixtrans-79.1129.717230.8-28.5000109.4F7P5-F7 PolarHBondContact O-N 3.08Å
6A38.3Very low38.1Very low98 Ų98155.8 Ų155.881%0.8181%0.813SS**  trans-72.1109.3164.700000107.8S8A6-S8 PolarHBondContact O-N 3.44Å; A6-S8 VanDerWaalsContact O-N 3.15Å
7F38.4Very low38.8Very low197 Ų197157.8 Ų157.886%0.86481%0.808SS**  trans-74.695.5162.5-92.1-94.8000107.3P5 C9P5-F7 PolarHBondContact O-N 3.08Å; F7-C9 PolarHBondContact O-N 3.02Å; F7-C9 VanDerWaalsContact O-N 3.16Å
8S36.8Very low39.8Very low94 Ų94155.7 Ų155.766%0.65780%0.804SS**  trans-69.9105.216156.50000107.4A6 L10A6-S8 PolarHBondContact O-N 3.44Å; A6-S8 VanDerWaalsContact O-N 3.15Å; S8-L10 VanDerWaalsContact C-N 3.25Å; S8-L10 PolarHBondContact O-N 2.89Å
9C36.3Very low41.2Very low113 Ų113155 Ų15576%0.76480%0.798SS**  trans-67.291.6166.1-164.20000107F7 I11F7-C9 PolarHBondContact O-N 3.02Å; F7-C9 VanDerWaalsContact O-N 3.16Å; C9-I11 PolarHBondContact O-N 3.38Å
10L36.6Very low43.2Very low157 Ų157149.2 Ų149.282%0.82277%0.77SS**  trans-68.687.7165.8-78.4162.6000107S8 N12S8-L10 VanDerWaalsContact C-N 3.25Å; S8-L10 PolarHBondContact O-N 2.89Å; L10-N12 PolarHBondContact O-N 3.12Å
11I43.1Very low45.7Very low140 Ų140145.5 Ų145.572%0.71876%0.755SS**  trans-61.6106.1163.3-63.1172.8000105.6C9 P13C9-I11 PolarHBondContact O-N 3.38Å; I11-P13 WeakPolarHBondContact O-CD 3.3Å
12N33.9Very low48.3Very low108 Ų108138.7 Ų138.758%0.57872%0.721SS**  trans-64.9115.2174.8-162.3-3.4000108L10 L14L10-N12 PolarHBondContact O-N 3.12Å; N12-L14 PolarHBondContact O-N 3.24Å
13P34.4Very low51.1Low118 Ų118135.1 Ų135.177%0.76670%0.7SS**G310 helixtrans-70.52.9-175-16.831.3000114.5I11 L15I11-P13 WeakPolarHBondContact O-CD 3.3Å; P13-L15 PolarHBondContact O-N 3.02Å
14L39.3Very low53.9Low145 Ų145129.3 Ų129.376%0.75968%0.676SS**G310 helixtrans-87.114.7-167.9-85.3159.1000115.9N12N12-L14 PolarHBondContact O-N 3.24Å
15L39.8Very low56.7Low161 Ų161118 Ų11884%0.84363%0.633SS**G310 helixtrans-122.513.4-177.2-91.3158.5000115.7P13 R17P13-L15 PolarHBondContact O-N 3.02Å; L15-R17 PolarHBondContact O-N 3.45Å
16F37.2Very low59.5Low200 Ų200114.6 Ų114.688%0.87761%0.608SS**  trans-87.283.9156.2-100.7-90.4000108.2T18F16-T18 PolarHBondContact O-N 2.94Å
17R50Low62.3Low191 Ų191113.9 Ų113.972%0.72159%0.588SS**  trans-62.4106.2158.6-109-173.2177.1-166-0.4105.7L15 M19L15-R17 PolarHBondContact O-N 3.45Å; R17-M19 PolarHBondContact O-N 3.29Å
18T56.7Low65.1Low119 Ų119105.4 Ų105.473%0.7355%0.551SS**PPolyproline II helixtrans-49.3134.1165.938.60000108.2F16 T20F16-T18 PolarHBondContact O-N 2.94Å; T18-T20 PolarHBondContact O-N 3.17Å
19M66.6Low68Low143 Ų143100.9 Ų100.970%0.70452%0.52SS*.PPolyproline II helixtrans-50.6131.2171.5-74.4-173.9169.800108.3R17 T21R17-M19 PolarHBondContact O-N 3.29Å; M19-T21 PolarHBondContact O-N 2.88Å
20T81.6Confident70.9Confident38 Ų3898 Ų9823%0.23349%0.493CS..PPolyproline II helixtrans-56.5140.6178.645.10000109T18 E24 T25 L28 S228T18-T20 PolarHBondContact O-N 3.17Å; T20-E24 VanDerWaalsContact CA-OE2 3.32Å; T20-E24 WeakPolarHBondContact CA-OE2 3.39Å; T20-T25 PolarHBondContact OG1-OG1 3.03Å; T20-L28 HydrophobicContact CG2-CD1 4.29Å; T20-S228 WeakPolarHBondContact O-CB 3.31Å; T20-S228 PolarHBondContact O-OG 2.93Å
21T94.6Very high73.8Confident72 Ų7298.2 Ų98.244%0.44248%0.483SS..PPolyproline II helixtrans-73165.9173.266.90000110.5M19 Q23 E24 T25M19-T21 PolarHBondContact O-N 2.88Å; T21-Q23 PolarHBondContact O-N 2.93Å; T21-E24 PolarHBondContact N-OE2 3.05Å; T21-E24 PolarHBondContact O-N 3.15Å; T21-E24 WeakPolarHBondContact OG1-CG 3.47Å; T21-E24 PolarHBondContact OG1-N 3.34Å; T21-E24 PolarHBondContact OG1-OE2 3.43Å; T21-T25 WeakPolarHBondContact O-CB 3.44Å; T21-T25 PolarHBondContact O-N 2.65Å; T21-T25 PolarHBondContact O-OG1 3.49Å
22M96.6Very high76.4Confident96 Ų9691.8 Ų91.847%0.47345%0.45SS..Hα-helixtrans-55.5-41172.4-173.6-177.459.800111.6T25 K26 S228 W229M22-T25 PolarHBondContact O-N 2.73Å; M22-K26 HydrophobicContact CG-CD 4.4Å; M22-K26 WeakPolarHBondContact O-CG 3.46Å; M22-K26 PolarHBondContact O-N 3.41Å; M22-S228 VanDerWaalsContact CA-O 3.3Å; M22-S228 WeakPolarHBondContact CA-O 3.41Å; M22-S228 WeakPolarHBondContact CB-O 3.46Å; M22-W229 HydrophobicContact CG-CB 4.08Å; M22-W229 HydrophobicContact CG-CG 4.14Å
23Q96.4Very high79.5Confident96 Ų9689.6 Ų89.645%0.44944%0.439SS..Hα-helixtrans-66.7-46.9-178.5-177.861.424.100111.7T21 T25 K26 E27T21-Q23 PolarHBondContact O-N 2.93Å; Q23-T25 VanDerWaalsContact C-N 3.28Å; Q23-T25 PolarHBondContact O-N 3.15Å; Q23-K26 PolarHBondContact O-N 3.04Å; Q23-E27 PolarHBondContact NE2-OE1 3.42Å; Q23-E27 WeakPolarHBondContact O-CG 3.5Å; Q23-E27 PolarHBondContact O-N 2.82Å
24E96.6Very high82.6Confident86 Ų8684 Ų8440%0.40240%0.402SS..Hα-helixtrans-60.7-39.3174.9-71.2168.1164.700111.5T20 T21 E27 L28T20-E24 VanDerWaalsContact CA-OE2 3.32Å; T20-E24 WeakPolarHBondContact CA-OE2 3.39Å; T21-E24 PolarHBondContact N-OE2 3.05Å; T21-E24 PolarHBondContact O-N 3.15Å; T21-E24 WeakPolarHBondContact OG1-CG 3.47Å; T21-E24 PolarHBondContact OG1-N 3.34Å; T21-E24 PolarHBondContact OG1-OE2 3.43Å; E24-E27 PolarHBondContact O-N 2.94Å; E24-L28 WeakPolarHBondContact O-CB 3.4Å; E24-L28 VanDerWaalsContact O-CG 3.28Å; E24-L28 WeakPolarHBondContact O-CG 3.31Å; E24-L28 PolarHBondContact O-N 2.99Å
25T97.8Very high85.4Confident0 Ų077.1 Ų77.10%037%0.366CS..Hα-helixtrans-63.1-43.3177.6-53.50000111.1T20 T21 M22 Q23 L28 F29 A210 I212 S228 W229T20-T25 PolarHBondContact OG1-OG1 3.03Å; T21-T25 WeakPolarHBondContact O-CB 3.44Å; T21-T25 PolarHBondContact O-N 2.65Å; T21-T25 PolarHBondContact O-OG1 3.49Å; M22-T25 PolarHBondContact O-N 2.73Å; Q23-T25 VanDerWaalsContact C-N 3.28Å; Q23-T25 PolarHBondContact O-N 3.15Å; T25-L28 PolarHBondContact O-N 3.36Å; T25-F29 WeakPolarHBondContact O-CB 3.46Å; T25-F29 PolarHBondContact O-N 3.36Å; T25-A210 HydrophobicContact CG2-CB 3.89Å; T25-I212 HydrophobicContact CG2-CG1 3.97Å; T25-S228 WeakPolarHBondContact OG1-CB 3.39Å; T25-W229 HydrophobicContact CG2-CB 3.88Å; T25-W229 HydrophobicContact CG2-CE3 4.13Å
26K98.1Very high88.2Confident35 Ų3569.4 Ų69.415%0.15233%0.326CS..Hα-helixtrans-64.2-40.7174.8-74.3176.3172.8-1680112.4M22 Q23 F29 R30 W229 E240M22-K26 HydrophobicContact CG-CD 4.4Å; M22-K26 WeakPolarHBondContact O-CG 3.46Å; M22-K26 PolarHBondContact O-N 3.41Å; Q23-K26 PolarHBondContact O-N 3.04Å; K26-F29 PolarHBondContact O-N 3.22Å; K26-R30 WeakPolarHBondContact O-CB 3.48Å; K26-R30 WeakPolarHBondContact O-CG 3.42Å; K26-R30 PolarHBondContact O-N 2.83Å; K26-W229 HydrophobicContact CG-CD2 3.85Å; K26-W229 HydrophobicContact CG-CE3 3.7Å; K26-W229 HydrophobicContact CG-CH2 4.01Å; K26-W229 HydrophobicContact CG-CZ2 4.15Å; K26-W229 HydrophobicContact CG-CZ3 3.79Å; K26-E240 HydrophobicContact CB-CG 4.14Å; K26-E240 HydrophobicContact CD-CG 4.39Å; K26-E240 HydrophobicContact CG-CG 4.08Å; K26-E240 IonicContact NZ-OE2 3.27Å
27E97.4Very high91.2Very high83 Ų8359.9 Ų59.939%0.38828%0.284SS..Hα-helixtrans-63.6-44.9175.2-75.6168.9-164.300112.1Q23 E24 F29 R30 R31Q23-E27 PolarHBondContact NE2-OE1 3.42Å; Q23-E27 WeakPolarHBondContact O-CG 3.5Å; Q23-E27 PolarHBondContact O-N 2.82Å; E24-E27 PolarHBondContact O-N 2.94Å; E27-F29 VanDerWaalsContact C-N 3.33Å; E27-F29 PolarHBondContact O-N 3.28Å; E27-R30 VanDerWaalsContact CG-NH2 3.3Å; E27-R30 PolarHBondContact O-N 2.86Å; E27-R31 WeakPolarHBondContact O-CG 3.48Å; E27-R31 PolarHBondContact O-N 3.48Å
28L97.7Very high93.5Very high18 Ų1851.2 Ų51.29%0.09425%0.252CS..Hα-helixtrans-60.1-42.8174.2-72.6166.6000111.7T20 E24 T25 R30 R31 A32 T191 N209 A210T20-L28 HydrophobicContact CG2-CD1 4.29Å; E24-L28 WeakPolarHBondContact O-CB 3.4Å; E24-L28 VanDerWaalsContact O-CG 3.28Å; E24-L28 WeakPolarHBondContact O-CG 3.31Å; E24-L28 PolarHBondContact O-N 2.99Å; T25-L28 PolarHBondContact O-N 3.36Å; L28-R30 PolarHBondContact O-N 2.91Å; L28-R31 CarbonylContact O-C 3.28Å; L28-R31 PolarHBondContact O-N 2.98Å; L28-A32 WeakPolarHBondContact O-CA 3.46Å; L28-A32 WeakPolarHBondContact O-CB 3.21Å; L28-A32 PolarHBondContact O-N 2.94Å; L28-T191 HydrophobicContact CB-CG2 4.26Å; L28-T191 HydrophobicContact CD2-CG2 3.81Å; L28-N209 HydrophobicContact CD1-CB 4.5Å; L28-N209 WeakPolarHBondContact CD1-O 3.47Å; L28-N209 HydrophobicContact CD2-CB 4.31Å; L28-A210 HydrophobicContact CB-CB 4.07Å; L28-A210 HydrophobicContact CD1-CB 3.77Å
29F98.3Very high95.5Very high0 Ų045.6 Ų45.60%022%0.217CC..Hα-helixtrans-61.5-43176.1178.2-118.7000112.9T25 K26 E27 R31 A32 V35 L112 L116 V193 I195 I212 W229 L237 E240 L241T25-F29 WeakPolarHBondContact O-CB 3.46Å; T25-F29 PolarHBondContact O-N 3.36Å; K26-F29 PolarHBondContact O-N 3.22Å; E27-F29 VanDerWaalsContact C-N 3.33Å; E27-F29 PolarHBondContact O-N 3.28Å; F29-R31 VanDerWaalsContact C-N 3.3Å; F29-R31 PolarHBondContact O-N 3.43Å; F29-A32 PolarHBondContact O-N 3.47Å; F29-V35 HydrophobicContact CD2-CG2 4.33Å; F29-V35 HydrophobicContact CE2-CG2 4.14Å; F29-L112 HydrophobicContact CZ-CD1 4.27Å; F29-L116 HydrophobicContact CE2-CD2 4.27Å; F29-L116 HydrophobicContact CZ-CD2 4.4Å; F29-V193 HydrophobicContact CD2-CG1 4.35Å; F29-I195 HydrophobicContact CE2-CD1 4.06Å; F29-I212 HydrophobicContact CB-CD1 4.11Å; F29-I212 HydrophobicContact CD2-CD1 3.84Å; F29-I212 HydrophobicContact CE2-CD1 4.45Å; F29-I212 HydrophobicContact CG-CD1 3.94Å; F29-W229 HydrophobicContact CB-CZ3 4Å; F29-W229 AromaticContact CD1-CH2 3.87Å; F29-W229 HydrophobicContact CD1-CH2 3.87Å; F29-W229 AromaticContact CD1-CZ3 3.72Å; F29-W229 HydrophobicContact CD1-CZ3 3.72Å; F29-W229 HydrophobicContact CE1-CH2 4.26Å; F29-W229 HydrophobicContact CE1-CZ3 4.45Å; F29-W229 AromaticContact CG-CZ3 3.98Å; F29-W229 HydrophobicContact CG-CZ3 3.98Å; F29-L237 HydrophobicContact CE1-CB 3.96Å; F29-L237 HydrophobicContact CE1-CD2 4.43Å; F29-L237 HydrophobicContact CZ-CB 3.92Å; F29-L237 HydrophobicContact CZ-CD1 4.39Å; F29-E240 HydrophobicContact CD1-CG 4.38Å; F29-L241 HydrophobicContact CD1-CD2 4.08Å; F29-L241 HydrophobicContact CE1-CD1 4.25Å; F29-L241 HydrophobicContact CE1-CD2 3.6Å; F29-L241 HydrophobicContact CE1-CG 3.63Å; F29-L241 HydrophobicContact CZ-CD1 4.05Å; F29-L241 HydrophobicContact CZ-CD2 3.92Å; F29-L241 HydrophobicContact CZ-CG 3.94Å
30R97.6Very high97Very high52 Ų5239.5 Ų39.520%0.19619%0.188CC..Hα-helixtrans-61.8-34.1178.5-81.7-166.4-62.2-134-4.8114K26 E27 L28 E240 I244K26-R30 WeakPolarHBondContact O-CB 3.48Å; K26-R30 WeakPolarHBondContact O-CG 3.42Å; K26-R30 PolarHBondContact O-N 2.83Å; E27-R30 VanDerWaalsContact CG-NH2 3.3Å; E27-R30 PolarHBondContact O-N 2.86Å; L28-R30 PolarHBondContact O-N 2.91Å; R30-E240 HydrophobicContact CG-CG 4.39Å; R30-E240 IonicContact CZ-OE1 2.72Å; R30-E240 VanDerWaalsContact CZ-OE1 3.29Å; R30-E240 IonicContact NE-OE1 2.7Å; R30-E240 IonicContact NH1-OE1 2.61Å; R30-E240 PolarHBondContact NH1-OE1 3.31Å; R30-E240 IonicContact NH2-OE1 2.58Å; R30-I244 HydrophobicContact CB-CD1 3.52Å; R30-I244 HydrophobicContact CB-CG1 4.45Å; R30-I244 HydrophobicContact CG-CD1 3.68Å; R30-I244 HydrophobicContact CG-CG1 4.17Å
31R96.7Very high97.7Very high162 Ų16237.8 Ų37.861%0.61118%0.177SC*.THydrogen-bonded Turntrans-106.812.2-177.875.2-175.6175165.5-3.6114.2E27 L28 F29 D33E27-R31 WeakPolarHBondContact O-CG 3.48Å; E27-R31 PolarHBondContact O-N 3.48Å; L28-R31 CarbonylContact O-C 3.28Å; L28-R31 PolarHBondContact O-N 2.98Å; F29-R31 VanDerWaalsContact C-N 3.3Å; F29-R31 PolarHBondContact O-N 3.43Å; R31-D33 PolarHBondContact O-N 3.31Å
32A98.3Very high97.9Very high5 Ų534.4 Ų34.44%0.04116%0.156CC..  trans-61.4137.1-173.700000111.4L28 F29 V35 I121 T191 V193L28-A32 WeakPolarHBondContact O-CA 3.46Å; L28-A32 WeakPolarHBondContact O-CB 3.21Å; L28-A32 PolarHBondContact O-N 2.94Å; F29-A32 PolarHBondContact O-N 3.47Å; A32-V35 HydrophobicContact CB-CG2 4.09Å; A32-I121 HydrophobicContact CB-CG2 4.48Å; A32-I121 VanDerWaalsContact O-CG1 3.31Å; A32-I121 WeakPolarHBondContact O-CG1 3.47Å; A32-T191 HydrophobicContact CB-CG2 4.28Å; A32-V193 HydrophobicContact CB-CG2 3.95Å
33D98.6Very high98Very high62 Ų6229.8 Ų29.833%0.33213%0.134SC..SBendtrans-76.4-36169.7-52-48.8000109.9R31 K122 F189 E190 T191R31-D33 PolarHBondContact O-N 3.31Å; D33-K122 PolarHBondContact O-N 3.28Å; D33-F189 HydrophobicContact CB-CB 4.19Å; D33-F189 HydrophobicContact CB-CD1 3.6Å; D33-F189 HydrophobicContact CB-CE1 4.36Å; D33-F189 HydrophobicContact CB-CG 4.2Å; D33-E190 PolarHBondContact OD2-N 3.49Å; D33-T191 PolarHBondContact N-O 3.3Å; D33-T191 PolarHBondContact OD2-N 2.67Å
34A98.9Very high98.1Very high0 Ų025.3 Ų25.30%011%0.113CC..EExtended strand (participates in β ladder)trans-140.8145.7177.500000113K122 F124 F189 T191 V192 V193A34-K122 CarbonylContact C-O 3.55Å; A34-K122 WeakPolarHBondContact CA-O 3.47Å; A34-K122 HydrophobicContact CB-CB 4.15Å; A34-F124 HydrophobicContact CB-CD2 4.14Å; A34-F124 HydrophobicContact CB-CE2 3.93Å; A34-F189 HydrophobicContact CB-CD1 4.35Å; A34-F189 HydrophobicContact CB-CD2 3.76Å; A34-F189 HydrophobicContact CB-CE1 4.31Å; A34-F189 HydrophobicContact CB-CE2 3.71Å; A34-F189 HydrophobicContact CB-CG 4.09Å; A34-F189 HydrophobicContact CB-CZ 4Å; A34-T191 PolarHBondContact N-O 3.41Å; A34-V192 HydrophobicContact CB-CG1 4.48Å; A34-V192 HydrophobicContact CB-CG2 4.33Å; A34-V192 WeakPolarHBondContact O-CA 3.42Å; A34-V193 PolarHBondContact O-N 3.42Å
35V98.9Very high98.2Very high0 Ų027.4 Ų27.40%012%0.117CC..EExtended strand (participates in β ladder)trans-120.4123.9170.5-179.80000108.6F29 A32 F37 L116 I121 K122 V123 F124 V193 I195F29-V35 HydrophobicContact CD2-CG2 4.33Å; F29-V35 HydrophobicContact CE2-CG2 4.14Å; A32-V35 HydrophobicContact CB-CG2 4.09Å; V35-F37 HydrophobicContact CB-CE2 4.14Å; V35-F37 HydrophobicContact CG1-CD2 3.92Å; V35-F37 HydrophobicContact CG1-CE1 4.39Å; V35-F37 HydrophobicContact CG1-CE2 3.38Å; V35-F37 HydrophobicContact CG1-CZ 3.65Å; V35-L116 HydrophobicContact CB-CD1 4.16Å; V35-L116 HydrophobicContact CG1-CD1 4.31Å; V35-L116 HydrophobicContact CG2-CD1 4.27Å; V35-L116 HydrophobicContact CG2-CD2 4.07Å; V35-I121 HydrophobicContact CG2-CG2 3.84Å; V35-K122 PolarHBondContact N-O 2.86Å; V35-V123 WeakPolarHBondContact O-CA 3.34Å; V35-F124 PolarHBondContact O-N 2.99Å; V35-V193 CarbonylContact C-O 3.12Å; V35-V193 WeakPolarHBondContact CA-O 3.17Å; V35-V193 HydrophobicContact CG2-CB 4.46Å; V35-I195 HydrophobicContact CG1-CD1 3.64Å; V35-I195 HydrophobicContact CG1-CG1 3.94Å
36C98.9Very high98Very high0 Ų029.5 Ų29.50%013%0.127CC..EExtended strand (participates in β ladder)trans-102.7128.3175-60.30000108.8F124 I126 I180 V193 M194 I195C36-F124 WeakPolarHBondContact CA-O 3.43Å; C36-F124 HydrophobicContact CB-CB 4.49Å; C36-I126 HydrophobicContact CB-CD1 3.67Å; C36-I126 HydrophobicContact CB-CG1 4.22Å; C36-I180 HydrophobicContact CB-CD1 4.49Å; C36-V193 PolarHBondContact N-O 3.12Å; C36-M194 HydrophobicContact CB-SD 3.61Å; C36-M194 CarbonylContact O-C 3.58Å; C36-M194 WeakPolarHBondContact O-CA 3.36Å; C36-M194 VanDerWaalsContact O-SD 3.41Å; C36-I195 PolarHBondContact O-N 3.33Å
37F98.9Very high97.8Very high0 Ų030.4 Ų30.40%013%0.132CC..EExtended strand (participates in β ladder)trans-108.7138.5175.5-69.1-91.3000110.6V35 V43 I109 L112 L116 V123 F124 L125 I126 I195 F234V35-F37 HydrophobicContact CB-CE2 4.14Å; V35-F37 HydrophobicContact CG1-CD2 3.92Å; V35-F37 HydrophobicContact CG1-CE1 4.39Å; V35-F37 HydrophobicContact CG1-CE2 3.38Å; V35-F37 HydrophobicContact CG1-CZ 3.65Å; F37-V43 HydrophobicContact CB-CG2 3.63Å; F37-V43 HydrophobicContact CD1-CG2 4.25Å; F37-V43 HydrophobicContact CG-CG2 4.1Å; F37-I109 HydrophobicContact CD1-CD1 4.13Å; F37-I109 HydrophobicContact CE1-CD1 3.82Å; F37-I109 HydrophobicContact CZ-CD1 4.16Å; F37-L112 HydrophobicContact CE1-CD2 3.95Å; F37-L112 HydrophobicContact CZ-CD2 3.82Å; F37-L112 HydrophobicContact CZ-CG 4.35Å; F37-L116 HydrophobicContact CE2-CD1 3.76Å; F37-L116 HydrophobicContact CZ-CD1 3.84Å; F37-V123 HydrophobicContact CD2-CG1 3.82Å; F37-V123 HydrophobicContact CE2-CG1 3.87Å; F37-F124 PolarHBondContact N-O 2.88Å; F37-L125 HydrophobicContact CB-CD2 4.01Å; F37-I126 PolarHBondContact O-N 2.79Å; F37-I195 WeakPolarHBondContact CA-O 3.37Å; F37-I195 HydrophobicContact CD1-CB 3.84Å; F37-I195 HydrophobicContact CD1-CD1 4.36Å; F37-I195 HydrophobicContact CD1-CG1 4.49Å; F37-I195 HydrophobicContact CD1-CG2 4.13Å; F37-I195 HydrophobicContact CE1-CB 4.02Å; F37-I195 HydrophobicContact CE1-CD1 3.69Å; F37-I195 HydrophobicContact CE1-CG1 4.28Å; F37-I195 HydrophobicContact CE1-CG2 4.14Å; F37-I195 HydrophobicContact CZ-CD1 3.96Å; F37-F234 HydrophobicContact CD1-CE1 4.47Å; F37-F234 HydrophobicContact CE1-CE1 4.01Å
38D98.7Very high97.5Very high9 Ų926.8 Ų26.85%0.04812%0.116CC..  trans-63.7158.6153.4-164.515.9000110.7T42 V43 K176 M194 I195 D201D38-T42 HydrophobicContact CB-CG2 4.27Å; D38-T42 WeakPolarHBondContact O-CB 3.33Å; D38-T42 WeakPolarHBondContact O-CG2 3.36Å; D38-V43 WeakPolarHBondContact O-CG2 3.37Å; D38-V43 PolarHBondContact O-N 3.24Å; D38-K176 IonicContact OD1-NZ 2.67Å; D38-K176 PolarHBondContact OD1-NZ 3.38Å; D38-K176 IonicContact OD2-NZ 3.29Å; D38-K176 PolarHBondContact OD2-NZ 2.78Å; D38-M194 HydrophobicContact CB-CE 4.22Å; D38-I195 PolarHBondContact N-O 2.98Å; D38-D201 WeakPolarHBondContact CB-OD1 3.27Å
39V98.5Very high97.2Very high0 Ų026.2 Ų26.20%011%0.113CC..Iπ-helixtrans-104.2-67.1-178-1790000110.9T42 V43 I44 L125 V134V39-T42 PolarHBondContact O-N 3.09Å; V39-V43 PolarHBondContact O-N 3.39Å; V39-I44 HydrophobicContact CG1-CD1 4.16Å; V39-I44 HydrophobicContact CG1-CG1 4.01Å; V39-I44 VanDerWaalsContact O-CG1 3.29Å; V39-I44 WeakPolarHBondContact O-CG1 3.33Å; V39-I44 PolarHBondContact O-N 3.42Å; V39-L125 HydrophobicContact CG2-CB 3.88Å; V39-L125 HydrophobicContact CG2-CD1 4.21Å; V39-L125 HydrophobicContact CG2-CD2 4.35Å; V39-L125 HydrophobicContact CG2-CG 4.37Å; V39-V134 HydrophobicContact CG1-CG2 4.3Å; V39-V134 HydrophobicContact CG2-CG1 3.74Å; V39-V134 HydrophobicContact CG2-CG2 4.29Å
40D97.2Very high97Very high16 Ų1629.1 Ų29.19%0.08613%0.129CC..Iπ-helixtrans-60.8137-178.1-61.5-50.2000109.6T42 E46 E47 G48 S127D40-T42 PolarHBondContact O-N 3.18Å; D40-E46 WeakPolarHBondContact CA-O 3.49Å; D40-E47 WeakPolarHBondContact CB-OE2 3.45Å; D40-G48 PolarHBondContact OD1-N 3.18Å; D40-S127 PolarHBondContact OD2-OG 2.96Å
41S97.4Very high96.8Very high2 Ų229.3 Ų29.31%0.01413%0.132CC..Iπ-helixtrans56.34.2-176.2-64.60000116.6I44 E46 E47 D197 N217S41-I44 CarbonylContact C-O 3.59Å; S41-I44 WeakPolarHBondContact CA-O 3.5Å; S41-I44 PolarHBondContact N-O 2.9Å; S41-E46 PolarHBondContact N-O 3.04Å; S41-E46 VanDerWaalsContact N-O 3.09Å; S41-E47 PolarHBondContact OG-OE1 2.99Å; S41-D197 WeakPolarHBondContact CB-OD1 3.5Å; S41-D197 WeakPolarHBondContact CB-OD2 3.46Å; S41-N217 WeakPolarHBondContact O-CB 3.2Å; S41-N217 PolarHBondContact O-ND2 3.1Å
42T98.6Very high96.7Very high0 Ų021.6 Ų21.60%010%0.103CC..Iπ-helixtrans-124-76.6-178.7-64.50000111.8D38 V39 D40 I44 T106 G196 D197 F214 F234D38-T42 HydrophobicContact CB-CG2 4.27Å; D38-T42 WeakPolarHBondContact O-CB 3.33Å; D38-T42 WeakPolarHBondContact O-CG2 3.36Å; V39-T42 PolarHBondContact O-N 3.09Å; D40-T42 PolarHBondContact O-N 3.18Å; T42-I44 PolarHBondContact N-O 2.91Å; T42-T106 VanDerWaalsContact O-CB 3.26Å; T42-T106 WeakPolarHBondContact O-CB 3.35Å; T42-T106 PolarHBondContact O-OG1 2.88Å; T42-G196 WeakPolarHBondContact OG1-CA 3.39Å; T42-D197 PolarHBondContact OG1-N 3.41Å; T42-D197 PolarHBondContact OG1-OD1 3.37Å; T42-D197 VanDerWaalsContact OG1-OD1 3.08Å; T42-F214 HydrophobicContact CG2-CB 4.36Å; T42-F214 HydrophobicContact CG2-CD1 4.19Å; T42-F214 HydrophobicContact CG2-CG 4.36Å; T42-F234 HydrophobicContact CG2-CZ 4.15Å; T42-F234 WeakPolarHBondContact O-CE2 3.46Å
43V98.8Very high96.6Very high0 Ų021.4 Ų21.40%010%0.101CC..Iπ-helixtrans-72-35.1176.8167.50000110.9F37 D38 V39 L105 T106 I109 L125 V137 L141F37-V43 HydrophobicContact CB-CG2 3.63Å; F37-V43 HydrophobicContact CD1-CG2 4.25Å; F37-V43 HydrophobicContact CG-CG2 4.1Å; D38-V43 WeakPolarHBondContact O-CG2 3.37Å; D38-V43 PolarHBondContact O-N 3.24Å; V39-V43 PolarHBondContact O-N 3.39Å; V43-L105 HydrophobicContact CG1-CD2 4.19Å; V43-T106 PolarHBondContact O-N 3.17Å; V43-T106 PolarHBondContact O-OG1 2.94Å; V43-I109 HydrophobicContact CB-CG1 4.33Å; V43-I109 HydrophobicContact CG1-CG1 4.05Å; V43-I109 HydrophobicContact CG2-CD1 4.16Å; V43-I109 HydrophobicContact CG2-CG1 4.06Å; V43-L125 HydrophobicContact CG2-CD2 4.04Å; V43-V137 HydrophobicContact CG1-CG1 3.48Å; V43-V137 VanDerWaalsContact CG1-CG1 3.48Å; V43-L141 HydrophobicContact CG1-CD1 3.56Å
44I98.4Very high96.4Very high1 Ų123.5 Ų23.51%0.00511%0.107CC..BIsolated β-bridgetrans-112.8159.4172.660.7166.6000110.4V39 S41 T42 P103 Q104 L105 T106 V137 N217V39-I44 HydrophobicContact CG1-CD1 4.16Å; V39-I44 HydrophobicContact CG1-CG1 4.01Å; V39-I44 VanDerWaalsContact O-CG1 3.29Å; V39-I44 WeakPolarHBondContact O-CG1 3.33Å; V39-I44 PolarHBondContact O-N 3.42Å; S41-I44 CarbonylContact C-O 3.59Å; S41-I44 WeakPolarHBondContact CA-O 3.5Å; S41-I44 PolarHBondContact N-O 2.9Å; T42-I44 PolarHBondContact N-O 2.91Å; I44-P103 HydrophobicContact CB-CB 4.16Å; I44-P103 HydrophobicContact CD1-CB 3.88Å; I44-P103 HydrophobicContact CD1-CG 4.49Å; I44-P103 HydrophobicContact CG2-CB 3.71Å; I44-Q104 CarbonylContact C-O 3.49Å; I44-Q104 VanDerWaalsContact CA-O 3.23Å; I44-Q104 WeakPolarHBondContact CA-O 3.24Å; I44-L105 HydrophobicContact CG2-CD2 4.28Å; I44-T106 PolarHBondContact O-OG1 2.96Å; I44-V137 HydrophobicContact CG2-CG1 3.95Å; I44-V137 HydrophobicContact CG2-CG2 3.67Å; I44-N217 PolarHBondContact O-ND2 3.31Å
45R97.8Very high96.2Very high130 Ų13026.1 Ų26.149%0.49112%0.119SC..SBendtrans-78.4-27.9-178.4-59.3-174.3-175.8-167.40.1112.8Q104R45-Q104 HydrophobicContact CG-CB 4.44Å; R45-Q104 PolarHBondContact N-O 3.35Å
46E94.8Very high96Very high45 Ų4527.3 Ų27.321%0.2113%0.127CC..SBendtrans-93.8168.5-173.9-54.682.1-17300112.9D40 S41 E51 Q104D40-E46 WeakPolarHBondContact CA-O 3.49Å; S41-E46 PolarHBondContact N-O 3.04Å; S41-E46 VanDerWaalsContact N-O 3.09Å; E46-E51 HydrophobicContact CB-CG 3.71Å; E46-E51 HydrophobicContact CG-CG 4.01Å; E46-Q104 VanDerWaalsContact OE1-CB 3.26Å; E46-Q104 WeakPolarHBondContact OE1-CB 3.48Å; E46-Q104 VanDerWaalsContact OE1-CG 3.23Å; E46-Q104 WeakPolarHBondContact OE1-CG 3.18Å; E46-Q104 PolarHBondContact OE2-N 3.3Å
47E92.6Very high95.9Very high54 Ų5430.6 Ų30.625%0.25216%0.161SC..  trans-99.6110.7164.8-69.1-82.2178.500107.7D40 S41 I49 D50 E51 R220D40-E47 WeakPolarHBondContact CB-OE2 3.45Å; S41-E47 PolarHBondContact OG-OE1 2.99Å; E47-I49 PolarHBondContact O-N 3Å; E47-I49 VanDerWaalsContact O-N 3.13Å; E47-D50 HydrophobicContact CB-CB 4.02Å; E47-D50 WeakPolarHBondContact O-CB 3.16Å; E47-D50 PolarHBondContact O-N 2.75Å; E47-E51 PolarHBondContact O-N 2.94Å; E47-E51 VanDerWaalsContact O-N 3.1Å; E47-R220 IonicContact OE1-NH2 2.84Å; E47-R220 PolarHBondContact OE1-NH2 3.28Å
48G91.8Very high95.9Very high6 Ų632.6 Ų32.66%0.06217%0.173CC..Hα-helixtrans-60.1-31-168.700000114.5D40 L52D40-G48 PolarHBondContact OD1-N 3.18Å; G48-L52 WeakPolarHBondContact O-CB 3.5Å; G48-L52 PolarHBondContact O-N 3.13Å; G48-L52 VanDerWaalsContact O-N 3.1Å
49I92.1Very high95.7Very high6 Ų632.9 Ų32.93%0.03118%0.178CC..Hα-helixtrans-73.5-32175.9-164166.7000112.8E47 L52 A53 L80 R83 L84 I87 F130E47-I49 PolarHBondContact O-N 3Å; E47-I49 VanDerWaalsContact O-N 3.13Å; I49-L52 PolarHBondContact O-N 3.06Å; I49-A53 WeakPolarHBondContact O-CB 3.39Å; I49-A53 PolarHBondContact O-N 2.92Å; I49-L80 HydrophobicContact CD1-CD1 3.83Å; I49-R83 HydrophobicContact CD1-CB 3.84Å; I49-R83 HydrophobicContact CD1-CG 4.47Å; I49-L84 HydrophobicContact CD1-CD2 4.26Å; I49-I87 HydrophobicContact CD1-CD1 4.14Å; I49-I87 HydrophobicContact CG1-CD1 3.6Å; I49-F130 HydrophobicContact CD1-CE2 4.15Å; I49-F130 HydrophobicContact CG1-CE2 4.36Å
50D92.7Very high95.5Very high61 Ų6139.3 Ų39.333%0.32621%0.212SC..Hα-helixtrans-73.2-39.5178-72.3-5.8000110.3E47 L52 A53 K54E47-D50 HydrophobicContact CB-CB 4.02Å; E47-D50 WeakPolarHBondContact O-CB 3.16Å; E47-D50 PolarHBondContact O-N 2.75Å; D50-L52 VanDerWaalsContact C-N 3.34Å; D50-A53 PolarHBondContact O-N 3.38Å; D50-K54 VanDerWaalsContact O-CG 3.29Å; D50-K54 WeakPolarHBondContact O-CG 3.41Å; D50-K54 PolarHBondContact O-N 2.67Å
51E94.2Very high95.4Very high57 Ų5740.9 Ų40.927%0.26623%0.228SC..Hα-helixtrans-62.9-41.4172.4-65.9-50.4124.100111.8E46 E47 A53 K54 F55 L97E46-E51 HydrophobicContact CB-CG 3.71Å; E46-E51 HydrophobicContact CG-CG 4.01Å; E47-E51 PolarHBondContact O-N 2.94Å; E47-E51 VanDerWaalsContact O-N 3.1Å; E51-A53 PolarHBondContact O-N 2.99Å; E51-K54 PolarHBondContact O-N 2.68Å; E51-K54 IonicContact OE1-NZ 2.68Å; E51-K54 PolarHBondContact OE1-NZ 3.03Å; E51-F55 VanDerWaalsContact O-CB 3.29Å; E51-F55 WeakPolarHBondContact O-CB 3.48Å; E51-F55 PolarHBondContact O-N 2.84Å; E51-L97 HydrophobicContact CB-CD1 4.35Å
52L94.8Very high95.2Very high0 Ų040.8 Ų40.80%023%0.227CC..Hα-helixtrans-62.8-41.3173.9-177.463.8000112.3G48 I49 D50 F55 C56 I87 C89 V94 L97 F153G48-L52 WeakPolarHBondContact O-CB 3.5Å; G48-L52 PolarHBondContact O-N 3.13Å; G48-L52 VanDerWaalsContact O-N 3.1Å; I49-L52 PolarHBondContact O-N 3.06Å; D50-L52 VanDerWaalsContact C-N 3.34Å; L52-F55 PolarHBondContact O-N 2.95Å; L52-C56 WeakPolarHBondContact O-CB 3.45Å; L52-C56 PolarHBondContact O-N 3.5Å; L52-C56 PolarHBondContact O-SG 3.48Å; L52-I87 HydrophobicContact CD2-CG2 4.05Å; L52-I87 HydrophobicContact CG-CG2 3.93Å; L52-C89 HydrophobicContact CD1-CB 3.89Å; L52-C89 HydrophobicContact CD2-CB 4.24Å; L52-C89 HydrophobicContact CG-CB 4.24Å; L52-V94 HydrophobicContact CD1-CG2 3.97Å; L52-L97 HydrophobicContact CB-CD2 3.92Å; L52-L97 HydrophobicContact CD1-CD2 3.86Å; L52-L97 HydrophobicContact CG-CD2 4.49Å; L52-F153 HydrophobicContact CD2-CE2 4.12Å; L52-F153 HydrophobicContact CD2-CZ 3.55Å
53A95.8Very high94.8Very high0 Ų048.6 Ų48.60%026%0.257CS..Hα-helixtrans-64.2-43.9177.300000112.2I49 D50 E51 C56 G57 V58 G59 V62 I87I49-A53 WeakPolarHBondContact O-CB 3.39Å; I49-A53 PolarHBondContact O-N 2.92Å; D50-A53 PolarHBondContact O-N 3.38Å; E51-A53 PolarHBondContact O-N 2.99Å; A53-C56 PolarHBondContact O-N 3.29Å; A53-G57 PolarHBondContact O-N 3.37Å; A53-V58 HydrophobicContact CB-CG2 4.49Å; A53-V58 CarbonylContact O-C 3.57Å; A53-V58 PolarHBondContact O-N 3.41Å; A53-G59 PolarHBondContact O-N 2.76Å; A53-G59 VanDerWaalsContact O-N 3.15Å; A53-V62 HydrophobicContact CB-CB 3.95Å; A53-V62 HydrophobicContact CB-CG1 4.17Å; A53-V62 HydrophobicContact CB-CG2 3.71Å; A53-I87 HydrophobicContact CB-CD1 3.96Å; A53-I87 HydrophobicContact CB-CG1 3.91Å
54K95Very high94.4Very high106 Ų10651.9 Ų51.946%0.46127%0.272SS..Hα-helixtrans-60.3-46.4174-71170.3-169.4169.20111D50 E51 C56 G57D50-K54 VanDerWaalsContact O-CG 3.29Å; D50-K54 WeakPolarHBondContact O-CG 3.41Å; D50-K54 PolarHBondContact O-N 2.67Å; E51-K54 PolarHBondContact O-N 2.68Å; E51-K54 IonicContact OE1-NZ 2.68Å; E51-K54 PolarHBondContact OE1-NZ 3.03Å; K54-C56 VanDerWaalsContact C-N 3.27Å; K54-C56 PolarHBondContact O-N 2.99Å; K54-G57 PolarHBondContact O-N 2.88Å
55F94.4Very high93.9Very high56 Ų5652.8 Ų52.825%0.24628%0.276CS..Hα-helixtrans-61.5-35.9178.9-172.8-91000112.5E51 L52 G57 Q93 K96 L97 H101E51-F55 VanDerWaalsContact O-CB 3.29Å; E51-F55 WeakPolarHBondContact O-CB 3.48Å; E51-F55 PolarHBondContact O-N 2.84Å; L52-F55 PolarHBondContact O-N 2.95Å; F55-G57 PolarHBondContact O-N 2.84Å; F55-Q93 HydrophobicContact CD1-CB 4.25Å; F55-Q93 HydrophobicContact CE1-CB 3.96Å; F55-Q93 HydrophobicContact CE1-CG 4.2Å; F55-Q93 WeakPolarHBondContact CE1-O 3.48Å; F55-K96 HydrophobicContact CE1-CB 4.24Å; F55-K96 HydrophobicContact CE1-CG 4.5Å; F55-K96 HydrophobicContact CE2-CG 4.35Å; F55-K96 HydrophobicContact CZ-CB 3.79Å; F55-K96 HydrophobicContact CZ-CD 3.79Å; F55-K96 HydrophobicContact CZ-CG 3.62Å; F55-L97 HydrophobicContact CB-CD1 3.93Å; F55-L97 HydrophobicContact CD1-CB 4.37Å; F55-L97 HydrophobicContact CD2-CB 4.45Å; F55-L97 HydrophobicContact CD2-CD1 4.12Å; F55-L97 HydrophobicContact CG-CB 4.26Å; F55-L97 HydrophobicContact CG-CD1 4.08Å; F55-H101 AromaticContact CD2-ND1 4Å; F55-H101 AromaticContact CE2-ND1 3.87Å
56C95.8Very high93.3Very high24 Ų2448.7 Ų48.716%0.16227%0.266CS..THydrogen-bonded Turntrans-80.30.6174.8-61.90000113.6L52 A53 K54 V58L52-C56 WeakPolarHBondContact O-CB 3.45Å; L52-C56 PolarHBondContact O-N 3.5Å; L52-C56 PolarHBondContact O-SG 3.48Å; A53-C56 PolarHBondContact O-N 3.29Å; K54-C56 VanDerWaalsContact C-N 3.27Å; K54-C56 PolarHBondContact O-N 2.99Å; C56-V58 VanDerWaalsContact C-N 3.32Å; C56-V58 HydrophobicContact CB-CG2 4.12Å; C56-V58 PolarHBondContact O-N 2.94Å
57G96.6Very high92.8Very high69 Ų6954.1 Ų54.171%0.71128%0.284SS*.THydrogen-bonded Turntrans7515.8179.600000114.8A53 K54 F55A53-G57 PolarHBondContact O-N 3.37Å; K54-G57 PolarHBondContact O-N 2.88Å; F55-G57 PolarHBondContact O-N 2.84Å
58V97.3Very high92.2Very high42 Ų4258.3 Ų58.326%0.25530%0.302SS..  trans-122.118.5-176-60.70000113.4A53 C56 D60 A61 V62 I86 I87A53-V58 HydrophobicContact CB-CG2 4.49Å; A53-V58 CarbonylContact O-C 3.57Å; A53-V58 PolarHBondContact O-N 3.41Å; C56-V58 VanDerWaalsContact C-N 3.32Å; C56-V58 HydrophobicContact CB-CG2 4.12Å; C56-V58 PolarHBondContact O-N 2.94Å; V58-D60 VanDerWaalsContact C-N 3.32Å; V58-D60 PolarHBondContact O-N 2.96Å; V58-A61 PolarHBondContact O-N 3.3Å; V58-V62 HydrophobicContact CG2-CG2 4.34Å; V58-V62 PolarHBondContact O-N 2.94Å; V58-V62 VanDerWaalsContact O-N 3.1Å; V58-I86 HydrophobicContact CB-CG2 4.09Å; V58-I86 HydrophobicContact CG2-CG2 4.18Å; V58-I87 HydrophobicContact CG2-CG1 4.22Å
59G95.3Very high91.3Very high16 Ų1658.9 Ų58.917%0.16531%0.306CS..Hα-helixtrans-54.3-42.5-178.200000113.9A53 V62 R63A53-G59 PolarHBondContact O-N 2.76Å; A53-G59 VanDerWaalsContact O-N 3.15Å; G59-V62 PolarHBondContact O-N 2.94Å; G59-R63 WeakPolarHBondContact O-CB 3.47Å; G59-R63 PolarHBondContact O-N 3.44Å
60D95Very high89.8Confident134 Ų13466.1 Ų66.172%0.71734%0.342SS*.Hα-helixtrans-66.8-39.6-179.9-68.1-25.4000112.3V58 R63 E64V58-D60 VanDerWaalsContact C-N 3.32Å; V58-D60 PolarHBondContact O-N 2.96Å; D60-R63 PolarHBondContact O-N 3.26Å; D60-E64 WeakPolarHBondContact O-CB 3.37Å; D60-E64 PolarHBondContact O-N 3Å
61A94.3Very high88.2Confident49 Ų4966.7 Ų66.741%0.40536%0.362SS..Hα-helixtrans-65.7-41.7177.500000111.7V58 E64 M65 I86V58-A61 PolarHBondContact O-N 3.3Å; A61-E64 PolarHBondContact O-N 2.84Å; A61-M65 WeakPolarHBondContact O-CB 3.38Å; A61-M65 PolarHBondContact O-N 3.35Å; A61-I86 HydrophobicContact CB-CG2 3.79Å
62V93.9Very high86.5Confident1 Ų167.5 Ų67.51%0.00639%0.385CS..Hα-helixtrans-65.5-42.2176.21720000111.3A53 V58 G59 M65 T66 R83 I86 I87A53-V62 HydrophobicContact CB-CB 3.95Å; A53-V62 HydrophobicContact CB-CG1 4.17Å; A53-V62 HydrophobicContact CB-CG2 3.71Å; V58-V62 HydrophobicContact CG2-CG2 4.34Å; V58-V62 PolarHBondContact O-N 2.94Å; V58-V62 VanDerWaalsContact O-N 3.1Å; G59-V62 PolarHBondContact O-N 2.94Å; V62-M65 PolarHBondContact O-N 2.99Å; V62-T66 WeakPolarHBondContact O-CB 3.45Å; V62-T66 PolarHBondContact O-N 2.91Å; V62-T66 PolarHBondContact O-OG1 2.82Å; V62-R83 HydrophobicContact CG1-CB 4.42Å; V62-R83 HydrophobicContact CG1-CG 4.03Å; V62-I86 HydrophobicContact CG2-CB 4.13Å; V62-I86 HydrophobicContact CG2-CG2 3.79Å; V62-I87 HydrophobicContact CG2-CD1 4.07Å; V62-I87 HydrophobicContact CG2-CG1 3.61Å
63R90.4Very high85.1Confident164 Ų16473.1 Ų73.162%0.61942%0.424SS*.Hα-helixtrans-62.6-46.3177-174-176.3-59.8-146.6-0.2111.5G59 D60 M65 T66 R67G59-R63 WeakPolarHBondContact O-CB 3.47Å; G59-R63 PolarHBondContact O-N 3.44Å; D60-R63 PolarHBondContact O-N 3.26Å; R63-M65 VanDerWaalsContact C-N 3.34Å; R63-M65 PolarHBondContact O-N 3.3Å; R63-T66 PolarHBondContact O-N 3.46Å; R63-R67 WeakPolarHBondContact O-CB 3.45Å; R63-R67 PolarHBondContact O-N 3.32Å
64E89.9Confident84.5Confident69 Ų6975.9 Ų75.932%0.32244%0.438SS..Hα-helixtrans-63.7-40.1178.9176.957.3-16900111.8D60 A61 R67 K68D60-E64 WeakPolarHBondContact O-CB 3.37Å; D60-E64 PolarHBondContact O-N 3Å; A61-E64 PolarHBondContact O-N 2.84Å; E64-R67 PolarHBondContact O-N 3.03Å; E64-R67 IonicContact OE1-CZ 2.76Å; E64-R67 IonicContact OE1-NH2 3.77Å; E64-R67 PolarHBondContact OE1-NH2 3.41Å; E64-R67 IonicContact OE2-CZ 2.85Å; E64-R67 VanDerWaalsContact OE2-CZ 3.28Å; E64-R67 IonicContact OE2-NE 3.78Å; E64-R67 PolarHBondContact OE2-NE 2.95Å; E64-R67 IonicContact OE2-NH2 2.67Å; E64-R67 PolarHBondContact OE2-NH2 3.34Å; E64-K68 WeakPolarHBondContact O-CG 3.29Å; E64-K68 PolarHBondContact O-N 2.94Å; E64-K68 WeakPolarHBondContact OE1-CE 3.37Å; E64-K68 IonicContact OE1-NZ 3.8Å
65M88.3Confident83.9Confident20 Ų2074 Ų7410%0.09944%0.435CS..Hα-helixtrans-64.3-46.7174-172.7-78.6-71.100111.3A61 V62 R63 R67 K68 A69 E82 R83 I86A61-M65 WeakPolarHBondContact O-CB 3.38Å; A61-M65 PolarHBondContact O-N 3.35Å; V62-M65 PolarHBondContact O-N 2.99Å; R63-M65 VanDerWaalsContact C-N 3.34Å; R63-M65 PolarHBondContact O-N 3.3Å; M65-R67 VanDerWaalsContact C-N 3.28Å; M65-R67 PolarHBondContact O-N 3.06Å; M65-K68 WeakPolarHBondContact O-CA 3.49Å; M65-K68 WeakPolarHBondContact O-CB 3.28Å; M65-K68 PolarHBondContact O-N 3.36Å; M65-A69 PolarHBondContact O-N 2.96Å; M65-A69 HydrophobicContact SD-CB 4.26Å; M65-E82 VanDerWaalsContact CE-C 3.45Å; M65-E82 HydrophobicContact CE-CB 3.56Å; M65-E82 HydrophobicContact CG-CB 4.4Å; M65-E82 HydrophobicContact SD-CB 3.82Å; M65-R83 VanDerWaalsContact CE-CA 3.48Å; M65-R83 HydrophobicContact CE-CB 3.92Å; M65-R83 HydrophobicContact CE-CG 3.19Å; M65-I86 HydrophobicContact CB-CD1 3.74Å; M65-I86 HydrophobicContact CE-CD1 4.36Å; M65-I86 HydrophobicContact CG-CD1 4.03Å
66T84.9Confident83.5Confident43 Ų4374 Ų7426%0.26444%0.436SS..Hα-helixtrans-58.4-41.8179-57.20000111.2V62 R63 K68 A69 M70V62-T66 WeakPolarHBondContact O-CB 3.45Å; V62-T66 PolarHBondContact O-N 2.91Å; V62-T66 PolarHBondContact O-OG1 2.82Å; R63-T66 PolarHBondContact O-N 3.46Å; T66-K68 VanDerWaalsContact C-N 3.3Å; T66-K68 PolarHBondContact O-N 3.13Å; T66-A69 PolarHBondContact O-N 3.07Å; T66-M70 HydrophobicContact CG2-SD 4.4Å; T66-M70 VanDerWaalsContact O-CG 3.31Å; T66-M70 WeakPolarHBondContact O-CG 3.35Å; T66-M70 PolarHBondContact O-N 2.83Å
67R83.8Confident83.2Confident159 Ų15975.7 Ų75.760%0.644%0.44SS*.Hα-helixtrans-59.7-38175.1-170.9-179.169.689.4-0.9112.7R63 E64 M65R63-R67 WeakPolarHBondContact O-CB 3.45Å; R63-R67 PolarHBondContact O-N 3.32Å; E64-R67 PolarHBondContact O-N 3.03Å; E64-R67 IonicContact OE1-CZ 2.76Å; E64-R67 IonicContact OE1-NH2 3.77Å; E64-R67 PolarHBondContact OE1-NH2 3.41Å; E64-R67 IonicContact OE2-CZ 2.85Å; E64-R67 VanDerWaalsContact OE2-CZ 3.28Å; E64-R67 IonicContact OE2-NE 3.78Å; E64-R67 PolarHBondContact OE2-NE 2.95Å; E64-R67 IonicContact OE2-NH2 2.67Å; E64-R67 PolarHBondContact OE2-NH2 3.34Å; M65-R67 VanDerWaalsContact C-N 3.28Å; M65-R67 PolarHBondContact O-N 3.06Å
68K80.1Confident82.8Confident143 Ų14378.4 Ų78.462%0.62243%0.432SS*.Hα-helixtrans-71-39.2175.2-68.6174.5-174.31710112.1E64 M65 T66 M70 G71E64-K68 WeakPolarHBondContact O-CG 3.29Å; E64-K68 PolarHBondContact O-N 2.94Å; E64-K68 WeakPolarHBondContact OE1-CE 3.37Å; E64-K68 IonicContact OE1-NZ 3.8Å; M65-K68 WeakPolarHBondContact O-CA 3.49Å; M65-K68 WeakPolarHBondContact O-CB 3.28Å; M65-K68 PolarHBondContact O-N 3.36Å; T66-K68 VanDerWaalsContact C-N 3.3Å; T66-K68 PolarHBondContact O-N 3.13Å; K68-M70 VanDerWaalsContact C-N 3.3Å; K68-M70 PolarHBondContact O-N 3.09Å; K68-G71 PolarHBondContact O-N 3.26Å
69A73.3Confident82.5Confident18 Ų1877.5 Ų77.515%0.14943%0.429CS..Hα-helixtrans-65.9-30.7179.500000113.1M65 T66 G71 M74M65-A69 PolarHBondContact O-N 2.96Å; M65-A69 HydrophobicContact SD-CB 4.26Å; T66-A69 PolarHBondContact O-N 3.07Å; A69-G71 PolarHBondContact O-N 3.49Å; A69-M74 HydrophobicContact CB-CB 4.29Å; A69-M74 HydrophobicContact CB-CE 4.16Å; A69-M74 HydrophobicContact CB-SD 3.54Å; A69-M74 VanDerWaalsContact CB-SD 3.54Å
70M59.4Low82.3Confident158 Ų15876.8 Ų76.878%0.77842%0.421SS*.THydrogen-bonded Turntrans-66.9-2.2177.3-70.8175.973.800114.4T66 K68 G72T66-M70 HydrophobicContact CG2-SD 4.4Å; T66-M70 VanDerWaalsContact O-CG 3.31Å; T66-M70 WeakPolarHBondContact O-CG 3.35Å; T66-M70 PolarHBondContact O-N 2.83Å; K68-M70 VanDerWaalsContact C-N 3.3Å; K68-M70 PolarHBondContact O-N 3.09Å; M70-G72 PolarHBondContact O-N 3.47Å
71G59.7Low82.3Confident73 Ų7373.2 Ų73.275%0.75341%0.405SS*.THydrogen-bonded Turntrans-71.83.2173.400000116.1K68 A69K68-G71 PolarHBondContact O-N 3.26Å; A69-G71 PolarHBondContact O-N 3.49Å
72G58.6Low82.3Confident73 Ų7374.6 Ų74.675%0.75340%0.403SS*.THydrogen-bonded Turntrans104.811.7158.500000118.5M70M70-G72 PolarHBondContact O-N 3.47Å
73S66.2Low82.3Confident118 Ų11876.3 Ų76.383%0.82541%0.409SS*.THydrogen-bonded Turntrans-126.6-2.8-179.863.10000115.5
74M81.3Confident82.6Confident59 Ų5968.5 Ų68.529%0.29138%0.38SS..  trans-94.2128.2-175.5-165.9170.3-74.700111.8A69 K78 A79 E82A69-M74 HydrophobicContact CB-CB 4.29Å; A69-M74 HydrophobicContact CB-CE 4.16Å; A69-M74 HydrophobicContact CB-SD 3.54Å; A69-M74 VanDerWaalsContact CB-SD 3.54Å; M74-K78 HydrophobicContact CG-CB 3.64Å; M74-K78 HydrophobicContact SD-CB 4.36Å; M74-A79 HydrophobicContact CG-CB 4.05Å; M74-A79 WeakPolarHBondContact SD-CA 3.26Å; M74-A79 HydrophobicContact SD-CB 3.74Å; M74-E82 WeakPolarHBondContact CE-OE1 3.4Å; M74-E82 VanDerWaalsContact CE-OE2 3.27Å; M74-E82 WeakPolarHBondContact CE-OE2 3.46Å
75T84.3Confident82.8Confident66 Ų6668.4 Ų68.441%0.40539%0.386SS..  trans-72156.3172.865.90000110.7K77 K78 A79T75-K77 VanDerWaalsContact C-N 3.27Å; T75-K77 PolarHBondContact O-N 3.32Å; T75-K78 PolarHBondContact O-N 3.29Å; T75-K78 VanDerWaalsContact O-N 3.11Å; T75-K78 WeakPolarHBondContact OG1-CG 3.42Å; T75-K78 PolarHBondContact OG1-N 3.15Å; T75-A79 PolarHBondContact O-N 3.25Å
76F84.7Confident83.2Confident57 Ų5770 Ų7025%0.2540%0.395CS..Hα-helixtrans-53.7-46177.6178.8-91.9000111.9K78 A79 L80 T170F76-K78 PolarHBondContact O-N 3.06Å; F76-A79 PolarHBondContact O-N 3.28Å; F76-L80 HydrophobicContact CE1-CD2 4.15Å; F76-L80 WeakPolarHBondContact O-CB 3.44Å; F76-L80 PolarHBondContact O-N 3.2Å; F76-T170 VanDerWaalsContact CE1-O 3.27Å; F76-T170 WeakPolarHBondContact CE1-O 3.1Å
77K89.2Confident83.8Confident59 Ų5968.3 Ų68.326%0.25738%0.384SS..Hα-helixtrans-58.1-46177.9-170173177.41770112.2T75 L80 T81 F164 E166 A171T75-K77 VanDerWaalsContact C-N 3.27Å; T75-K77 PolarHBondContact O-N 3.32Å; K77-L80 PolarHBondContact O-N 3.5Å; K77-T81 PolarHBondContact O-N 2.77Å; K77-T81 PolarHBondContact O-OG1 3.39Å; K77-F164 HydrophobicContact CG-CZ 4.43Å; K77-E166 WeakPolarHBondContact CE-OE2 3.4Å; K77-E166 IonicContact NZ-OE2 2.75Å; K77-E166 PolarHBondContact NZ-OE2 3.35Å; K77-A171 WeakPolarHBondContact CA-O 3.43Å; K77-A171 VanDerWaalsContact CB-O 3.27Å; K77-A171 WeakPolarHBondContact CB-O 3.32Å
78K89.8Confident84.4Confident126 Ų12668.2 Ų68.255%0.54838%0.384SS..Hα-helixtrans-63.4-45.3177.6-76.7-179.8176.5-176.90111.4M74 T75 F76 L80 T81 E82M74-K78 HydrophobicContact CG-CB 3.64Å; M74-K78 HydrophobicContact SD-CB 4.36Å; T75-K78 PolarHBondContact O-N 3.29Å; T75-K78 VanDerWaalsContact O-N 3.11Å; T75-K78 WeakPolarHBondContact OG1-CG 3.42Å; T75-K78 PolarHBondContact OG1-N 3.15Å; F76-K78 PolarHBondContact O-N 3.06Å; K78-L80 VanDerWaalsContact C-N 3.32Å; K78-L80 PolarHBondContact O-N 3.15Å; K78-T81 PolarHBondContact O-N 2.83Å; K78-E82 PolarHBondContact O-N 2.89Å
79A89.7Confident85.2Confident22 Ų2261.4 Ų61.418%0.18235%0.354CS..Hα-helixtrans-61.5-40.6177.100000111.9M74 T75 F76 R83M74-A79 HydrophobicContact CG-CB 4.05Å; M74-A79 WeakPolarHBondContact SD-CA 3.26Å; M74-A79 HydrophobicContact SD-CB 3.74Å; T75-A79 PolarHBondContact O-N 3.25Å; F76-A79 PolarHBondContact O-N 3.28Å; A79-R83 VanDerWaalsContact O-CG 3.31Å; A79-R83 WeakPolarHBondContact O-CG 3.35Å; A79-R83 PolarHBondContact O-N 2.91Å; A79-R83 PolarHBondContact O-NE 2.85Å
80L92Very high86.3Confident1 Ų162 Ų621%0.00536%0.357CS..Hα-helixtrans-63.4-47.4174.2-175.661.9000111.6I49 F76 K77 K78 E82 R83 L84 F130 F164I49-L80 HydrophobicContact CD1-CD1 3.83Å; F76-L80 HydrophobicContact CE1-CD2 4.15Å; F76-L80 WeakPolarHBondContact O-CB 3.44Å; F76-L80 PolarHBondContact O-N 3.2Å; K77-L80 PolarHBondContact O-N 3.5Å; K78-L80 VanDerWaalsContact C-N 3.32Å; K78-L80 PolarHBondContact O-N 3.15Å; L80-E82 VanDerWaalsContact C-N 3.34Å; L80-E82 PolarHBondContact O-N 3.43Å; L80-R83 PolarHBondContact O-N 3.41Å; L80-L84 HydrophobicContact CD1-CD1 4.21Å; L80-L84 HydrophobicContact CD1-CG 4.24Å; L80-L84 HydrophobicContact CG-CD1 4.16Å; L80-L84 WeakPolarHBondContact O-CG 3.46Å; L80-L84 PolarHBondContact O-N 2.83Å; L80-F130 HydrophobicContact CD1-CE2 4.46Å; L80-F130 HydrophobicContact CD1-CZ 3.9Å; L80-F164 HydrophobicContact CD2-CD2 4.12Å; L80-F164 HydrophobicContact CD2-CE1 4.49Å; L80-F164 HydrophobicContact CD2-CE2 3.72Å; L80-F164 HydrophobicContact CD2-CZ 3.93Å; L80-F164 HydrophobicContact CG-CE1 4.42Å; L80-F164 HydrophobicContact CG-CE2 4.48Å; L80-F164 HydrophobicContact CG-CZ 4.22Å
81T94Very high88.2Confident60 Ų6059.9 Ų59.937%0.36834%0.34SS..Hα-helixtrans-57.6-44.9177.1-62.10000112.1K77 K78 L84 S85K77-T81 PolarHBondContact O-N 2.77Å; K77-T81 PolarHBondContact O-OG1 3.39Å; K78-T81 PolarHBondContact O-N 2.83Å; T81-L84 PolarHBondContact O-N 3.24Å; T81-S85 WeakPolarHBondContact O-CB 3.46Å; T81-S85 PolarHBondContact O-N 3.39Å
82E93.8Very high89.9Confident78 Ų7863.4 Ų63.436%0.36434%0.337SS..Hα-helixtrans-68-39178.7-71.8-172.6-161.400112.7M65 M74 K78 L80 L84 S85 I86M65-E82 VanDerWaalsContact CE-C 3.45Å; M65-E82 HydrophobicContact CE-CB 3.56Å; M65-E82 HydrophobicContact CG-CB 4.4Å; M65-E82 HydrophobicContact SD-CB 3.82Å; M74-E82 WeakPolarHBondContact CE-OE1 3.4Å; M74-E82 VanDerWaalsContact CE-OE2 3.27Å; M74-E82 WeakPolarHBondContact CE-OE2 3.46Å; K78-E82 PolarHBondContact O-N 2.89Å; L80-E82 VanDerWaalsContact C-N 3.34Å; L80-E82 PolarHBondContact O-N 3.43Å; E82-L84 VanDerWaalsContact C-N 3.32Å; E82-L84 PolarHBondContact O-N 3Å; E82-S85 PolarHBondContact O-N 3.37Å; E82-S85 PolarHBondContact O-OG 2.95Å; E82-I86 WeakPolarHBondContact O-CG1 3.26Å; E82-I86 PolarHBondContact O-N 3.38Å
83R94.8Very high91.8Very high37 Ų3763 Ų6314%0.1432%0.315CS..Hα-helixtrans-61.8-45.6175.4-72.9-179.2-65.3177.27.5110.1I49 V62 M65 A79 L80 S85 I86 I87I49-R83 HydrophobicContact CD1-CB 3.84Å; I49-R83 HydrophobicContact CD1-CG 4.47Å; V62-R83 HydrophobicContact CG1-CB 4.42Å; V62-R83 HydrophobicContact CG1-CG 4.03Å; M65-R83 VanDerWaalsContact CE-CA 3.48Å; M65-R83 HydrophobicContact CE-CB 3.92Å; M65-R83 HydrophobicContact CE-CG 3.19Å; A79-R83 VanDerWaalsContact O-CG 3.31Å; A79-R83 WeakPolarHBondContact O-CG 3.35Å; A79-R83 PolarHBondContact O-N 2.91Å; A79-R83 PolarHBondContact O-NE 2.85Å; L80-R83 PolarHBondContact O-N 3.41Å; R83-S85 PolarHBondContact O-N 2.86Å; R83-I86 PolarHBondContact O-N 3.19Å; R83-I87 HydrophobicContact CB-CD1 4.44Å; R83-I87 VanDerWaalsContact O-CG1 3.24Å; R83-I87 WeakPolarHBondContact O-CG1 3.14Å; R83-I87 PolarHBondContact O-N 3.31Å
84L96Very high93.2Very high0 Ų057.4 Ų57.40%028%0.277CS..Hα-helixtrans-72.4-27.5-177.8-66.6-179000114I49 L80 T81 E82 I86 I87 R88 F130 F153 Y161 F164I49-L84 HydrophobicContact CD1-CD2 4.26Å; L80-L84 HydrophobicContact CD1-CD1 4.21Å; L80-L84 HydrophobicContact CD1-CG 4.24Å; L80-L84 HydrophobicContact CG-CD1 4.16Å; L80-L84 WeakPolarHBondContact O-CG 3.46Å; L80-L84 PolarHBondContact O-N 2.83Å; T81-L84 PolarHBondContact O-N 3.24Å; E82-L84 VanDerWaalsContact C-N 3.32Å; E82-L84 PolarHBondContact O-N 3Å; L84-I86 PolarHBondContact O-N 3.33Å; L84-I87 HydrophobicContact CD2-CD1 4.33Å; L84-I87 PolarHBondContact O-N 2.72Å; L84-R88 PolarHBondContact O-N 2.95Å; L84-F130 HydrophobicContact CD1-CE1 4.02Å; L84-F130 HydrophobicContact CD1-CZ 3.65Å; L84-F130 HydrophobicContact CD2-CE2 4.03Å; L84-F130 HydrophobicContact CD2-CZ 3.6Å; L84-F130 HydrophobicContact CG-CZ 4.03Å; L84-F153 HydrophobicContact CD1-CE1 4.34Å; L84-F153 HydrophobicContact CD2-CE1 3.68Å; L84-F153 HydrophobicContact CD2-CZ 4.24Å; L84-Y161 HydrophobicContact CB-CE1 4.37Å; L84-Y161 HydrophobicContact CB-CE2 4.33Å; L84-Y161 WeakPolarHBondContact CB-OH 3.36Å; L84-Y161 HydrophobicContact CD1-CE2 4.3Å; L84-Y161 VanDerWaalsContact CD1-OH 3.31Å; L84-Y161 WeakPolarHBondContact CD1-OH 3.11Å; L84-F164 HydrophobicContact CD1-CB 4.19Å; L84-F164 HydrophobicContact CD1-CD1 3.51Å; L84-F164 HydrophobicContact CD1-CE1 4.13Å; L84-F164 HydrophobicContact CD1-CG 4.03Å
85S95.6Very high93.8Very high66 Ų6658.7 Ų58.746%0.46229%0.285SS..Hα-helixtrans-68-25.317474.10000112.4T81 E82 R83 R88T81-S85 WeakPolarHBondContact O-CB 3.46Å; T81-S85 PolarHBondContact O-N 3.39Å; E82-S85 PolarHBondContact O-N 3.37Å; E82-S85 PolarHBondContact O-OG 2.95Å; R83-S85 PolarHBondContact O-N 2.86Å; S85-R88 WeakPolarHBondContact O-CD 3.22Å; S85-R88 VanDerWaalsContact O-CG 3.22Å; S85-R88 WeakPolarHBondContact O-CG 3.38Å
86I96.7Very high94.4Very high54 Ų5460.4 Ų60.428%0.27729%0.287SS..Hα-helixtrans-81.6-47171.2-60.9167.4000110.5V58 A61 V62 M65 E82 R83 L84V58-I86 HydrophobicContact CB-CG2 4.09Å; V58-I86 HydrophobicContact CG2-CG2 4.18Å; A61-I86 HydrophobicContact CB-CG2 3.79Å; V62-I86 HydrophobicContact CG2-CB 4.13Å; V62-I86 HydrophobicContact CG2-CG2 3.79Å; M65-I86 HydrophobicContact CB-CD1 3.74Å; M65-I86 HydrophobicContact CE-CD1 4.36Å; M65-I86 HydrophobicContact CG-CD1 4.03Å; E82-I86 WeakPolarHBondContact O-CG1 3.26Å; E82-I86 PolarHBondContact O-N 3.38Å; R83-I86 PolarHBondContact O-N 3.19Å; L84-I86 PolarHBondContact O-N 3.33Å
87I97.2Very high94.9Very high8 Ų858.1 Ų58.14%0.04128%0.277CS..Hα-helixtrans-65.9-49.3-174.4-67165.7000112.4I49 L52 A53 V58 V62 R83 L84 C89I49-I87 HydrophobicContact CD1-CD1 4.14Å; I49-I87 HydrophobicContact CG1-CD1 3.6Å; L52-I87 HydrophobicContact CD2-CG2 4.05Å; L52-I87 HydrophobicContact CG-CG2 3.93Å; A53-I87 HydrophobicContact CB-CD1 3.96Å; A53-I87 HydrophobicContact CB-CG1 3.91Å; V58-I87 HydrophobicContact CG2-CG1 4.22Å; V62-I87 HydrophobicContact CG2-CD1 4.07Å; V62-I87 HydrophobicContact CG2-CG1 3.61Å; R83-I87 HydrophobicContact CB-CD1 4.44Å; R83-I87 VanDerWaalsContact O-CG1 3.24Å; R83-I87 WeakPolarHBondContact O-CG1 3.14Å; R83-I87 PolarHBondContact O-N 3.31Å; L84-I87 HydrophobicContact CD2-CD1 4.33Å; L84-I87 PolarHBondContact O-N 2.72Å; I87-C89 HydrophobicContact CG2-CB 3.84Å; I87-C89 PolarHBondContact O-N 2.79Å
88R96.3Very high95.1Very high157 Ų15756.3 Ų56.359%0.59227%0.27SS*.  trans41.440.3-178.8-59.1-172.163.1102.23.4114.9L84 S85 Y161L84-R88 PolarHBondContact O-N 2.95Å; S85-R88 WeakPolarHBondContact O-CD 3.22Å; S85-R88 VanDerWaalsContact O-CG 3.22Å; S85-R88 WeakPolarHBondContact O-CG 3.38Å; R88-Y161 HydrophobicContact CB-CD1 4.43Å; R88-Y161 HydrophobicContact CG-CD1 4.32Å
89C96.4Very high95.3Very high0 Ų055.4 Ų55.40%028%0.275CS..  trans-61.6139.5-175.260.40000112.1L52 I87 V94 F155 Y161L52-C89 HydrophobicContact CD1-CB 3.89Å; L52-C89 HydrophobicContact CD2-CB 4.24Å; L52-C89 HydrophobicContact CG-CB 4.24Å; I87-C89 HydrophobicContact CG2-CB 3.84Å; I87-C89 PolarHBondContact O-N 2.79Å; C89-V94 HydrophobicContact CB-CG2 4.07Å; C89-V94 VanDerWaalsContact SG-CG2 3.56Å; C89-F155 WeakPolarHBondContact O-CE1 3.43Å; C89-Y161 WeakPolarHBondContact O-CB 3.46Å
90S97.7Very high95.5Very high29 Ų2958.1 Ų58.120%0.20329%0.286CS..  trans-76.1161167.6790000111.3E92 Q93 V94 G159S90-E92 PolarHBondContact O-N 3.2Å; S90-E92 PolarHBondContact OG-N 3.45Å; S90-Q93 PolarHBondContact O-N 3.29Å; S90-Q93 WeakPolarHBondContact OG-CG 3.46Å; S90-Q93 PolarHBondContact OG-N 2.8Å; S90-Q93 VanDerWaalsContact OG-N 3.1Å; S90-V94 PolarHBondContact O-N 3.42Å; S90-V94 VanDerWaalsContact O-N 3.12Å; S90-G159 CarbonylContact C-O 3.53Å; S90-G159 VanDerWaalsContact CA-O 3.32Å; S90-G159 WeakPolarHBondContact CA-O 3.43Å
91R97.6Very high95.5Very high114 Ų11463.4 Ų63.443%0.4331%0.311SS..Hα-helixtrans-56.6-39.1172.6-175.4-175.9-64.3160.30.6111.6V94 N95 F155 G159R91-V94 PolarHBondContact O-N 3.03Å; R91-N95 PolarHBondContact O-N 2.93Å; R91-F155 HydrophobicContact CB-CD1 3.99Å; R91-F155 HydrophobicContact CB-CD2 4.07Å; R91-F155 HydrophobicContact CB-CE1 4.11Å; R91-F155 HydrophobicContact CB-CE2 4.16Å; R91-F155 HydrophobicContact CB-CG 3.98Å; R91-F155 HydrophobicContact CB-CZ 4.19Å; R91-F155 HydrophobicContact CG-CD2 4.27Å; R91-F155 HydrophobicContact CG-CE2 4.26Å; R91-F155 VanDerWaalsContact N-CE1 3.33Å; R91-G159 PolarHBondContact N-O 2.79Å
92E96.9Very high95.4Very high148 Ų14862.8 Ų62.869%0.69231%0.308SS*.Hα-helixtrans-64-44.5178.1-174.7-179.417800111.6S90 V94 N95 K96S90-E92 PolarHBondContact O-N 3.2Å; S90-E92 PolarHBondContact OG-N 3.45Å; E92-V94 VanDerWaalsContact C-N 3.32Å; E92-V94 PolarHBondContact O-N 3.15Å; E92-N95 PolarHBondContact O-N 3.4Å; E92-K96 VanDerWaalsContact O-CB 3.31Å; E92-K96 WeakPolarHBondContact O-CB 3.44Å; E92-K96 PolarHBondContact O-N 3.33Å
93Q96.8Very high95.3Very high63 Ų6359.9 Ų59.929%0.29430%0.296SS..Hα-helixtrans-61.1-41.4177-73.5173.4-53.400111.9F55 S90 K96 L97F55-Q93 HydrophobicContact CD1-CB 4.25Å; F55-Q93 HydrophobicContact CE1-CB 3.96Å; F55-Q93 HydrophobicContact CE1-CG 4.2Å; F55-Q93 WeakPolarHBondContact CE1-O 3.48Å; S90-Q93 PolarHBondContact O-N 3.29Å; S90-Q93 WeakPolarHBondContact OG-CG 3.46Å; S90-Q93 PolarHBondContact OG-N 2.8Å; S90-Q93 VanDerWaalsContact OG-N 3.1Å; Q93-K96 PolarHBondContact O-N 3.45Å; Q93-L97 WeakPolarHBondContact O-CB 3.41Å; Q93-L97 PolarHBondContact O-N 3.04Å
94V95.8Very high95.4Very high2 Ų263 Ų631%0.01231%0.312CS..Hα-helixtrans-62.3-44.5175.8173.50000111.3L52 C89 S90 R91 E92 L97 I98 C132 F153 F155L52-V94 HydrophobicContact CD1-CG2 3.97Å; C89-V94 HydrophobicContact CB-CG2 4.07Å; C89-V94 VanDerWaalsContact SG-CG2 3.56Å; S90-V94 PolarHBondContact O-N 3.42Å; S90-V94 VanDerWaalsContact O-N 3.12Å; R91-V94 PolarHBondContact O-N 3.03Å; E92-V94 VanDerWaalsContact C-N 3.32Å; E92-V94 PolarHBondContact O-N 3.15Å; V94-L97 PolarHBondContact O-N 3.49Å; V94-I98 HydrophobicContact CG1-CD1 4.16Å; V94-I98 WeakPolarHBondContact O-CG1 3.47Å; V94-I98 PolarHBondContact O-N 2.83Å; V94-I98 VanDerWaalsContact O-N 3.17Å; V94-C132 HydrophobicContact CG1-CB 4.33Å; V94-C132 WeakPolarHBondContact CG1-SG 3.39Å; V94-F153 HydrophobicContact CG2-CD2 4.33Å; V94-F153 HydrophobicContact CG2-CE2 4.05Å; V94-F155 HydrophobicContact CG2-CZ 4.15Å
95N95.4Very high95.5Very high86 Ų8664.9 Ų64.946%0.4632%0.322SS..Hα-helixtrans-65.5-39.6177.5-70.9-14.8000112.2R91 E92 I98 T99R91-N95 PolarHBondContact O-N 2.93Å; E92-N95 PolarHBondContact O-N 3.4Å; N95-I98 PolarHBondContact O-N 2.85Å; N95-T99 WeakPolarHBondContact O-CB 3.28Å; N95-T99 PolarHBondContact O-N 3.08Å; N95-T99 PolarHBondContact O-OG1 3.4Å
96K96.3Very high95.7Very high102 Ų10262 Ų6244%0.44330%0.301SS..Hα-helixtrans-68.5-38.4178.9-168171.916960.20111.7F55 E92 Q93 T99 D100F55-K96 HydrophobicContact CE1-CB 4.24Å; F55-K96 HydrophobicContact CE1-CG 4.5Å; F55-K96 HydrophobicContact CE2-CG 4.35Å; F55-K96 HydrophobicContact CZ-CB 3.79Å; F55-K96 HydrophobicContact CZ-CD 3.79Å; F55-K96 HydrophobicContact CZ-CG 3.62Å; E92-K96 VanDerWaalsContact O-CB 3.31Å; E92-K96 WeakPolarHBondContact O-CB 3.44Å; E92-K96 PolarHBondContact O-N 3.33Å; Q93-K96 PolarHBondContact O-N 3.45Å; K96-T99 PolarHBondContact O-N 2.95Å; K96-D100 WeakPolarHBondContact CE-OD2 3.32Å; K96-D100 WeakPolarHBondContact CG-OD2 3.49Å; K96-D100 IonicContact NZ-OD2 3.54Å; K96-D100 PolarHBondContact NZ-OD2 3.35Å; K96-D100 VanDerWaalsContact O-CB 3.27Å; K96-D100 WeakPolarHBondContact O-CB 3.49Å; K96-D100 PolarHBondContact O-N 3.16Å
97L94.7Very high95.8Very high9 Ų962.9 Ų62.95%0.04731%0.311CS..Hα-helixtrans-55.7-52.9169.8174.971.6000110.7E51 L52 F55 Q93 V94 T99 H101 I133E51-L97 HydrophobicContact CB-CD1 4.35Å; L52-L97 HydrophobicContact CB-CD2 3.92Å; L52-L97 HydrophobicContact CD1-CD2 3.86Å; L52-L97 HydrophobicContact CG-CD2 4.49Å; F55-L97 HydrophobicContact CB-CD1 3.93Å; F55-L97 HydrophobicContact CD1-CB 4.37Å; F55-L97 HydrophobicContact CD2-CB 4.45Å; F55-L97 HydrophobicContact CD2-CD1 4.12Å; F55-L97 HydrophobicContact CG-CB 4.26Å; F55-L97 HydrophobicContact CG-CD1 4.08Å; Q93-L97 WeakPolarHBondContact O-CB 3.41Å; Q93-L97 PolarHBondContact O-N 3.04Å; V94-L97 PolarHBondContact O-N 3.49Å; L97-T99 VanDerWaalsContact C-N 3.26Å; L97-T99 PolarHBondContact O-N 2.96Å; L97-H101 HydrophobicContact CD1-CB 4.22Å; L97-H101 CarbonylContact O-C 3.57Å; L97-H101 VanDerWaalsContact O-CA 3.32Å; L97-H101 WeakPolarHBondContact O-CA 3.32Å; L97-H101 PolarHBondContact O-N 2.84Å; L97-H101 VanDerWaalsContact O-O 3.08Å; L97-I133 HydrophobicContact CD2-CD1 4.23Å
98I93.9Very high95.8Very high21 Ų2163.6 Ų63.611%0.10832%0.32CS..Hα-helixtrans-61.4-36.3-177.9-66.8164.6000111.8V94 N95 C132 I133 H136V94-I98 HydrophobicContact CG1-CD1 4.16Å; V94-I98 WeakPolarHBondContact O-CG1 3.47Å; V94-I98 PolarHBondContact O-N 2.83Å; V94-I98 VanDerWaalsContact O-N 3.17Å; N95-I98 PolarHBondContact O-N 2.85Å; I98-C132 HydrophobicContact CD1-CB 4.12Å; I98-I133 HydrophobicContact CD1-CG1 4.17Å; I98-I133 HydrophobicContact CG1-CG1 4.16Å; I98-H136 HydrophobicContact CG2-CB 3.87Å; I98-H136 WeakPolarHBondContact CG2-ND1 3.39Å
99T93.4Very high96Very high106 Ų10656.1 Ų56.165%0.6529%0.291SS*.Hα-helixtrans-82.2-47.4-175.9-53.50000112.5N95 K96 L97N95-T99 WeakPolarHBondContact O-CB 3.28Å; N95-T99 PolarHBondContact O-N 3.08Å; N95-T99 PolarHBondContact O-OG1 3.4Å; K96-T99 PolarHBondContact O-N 2.95Å; L97-T99 VanDerWaalsContact C-N 3.26Å; L97-T99 PolarHBondContact O-N 2.96Å
100D93.6Very high96.1Very high79 Ų7961 Ų6142%0.42231%0.312SS..Hα-helixtrans-87-27.9-172.3-62.3-6000111.8K96K96-D100 WeakPolarHBondContact CE-OD2 3.32Å; K96-D100 WeakPolarHBondContact CG-OD2 3.49Å; K96-D100 IonicContact NZ-OD2 3.54Å; K96-D100 PolarHBondContact NZ-OD2 3.35Å; K96-D100 VanDerWaalsContact O-CB 3.27Å; K96-D100 WeakPolarHBondContact O-CB 3.49Å; K96-D100 PolarHBondContact O-N 3.16Å
101H92.1Very high96.1Very high113 Ų11365 Ų6552%0.52333%0.328SS..SBendtrans-136.662.4-176.3-55.287000110.7F55 L97F55-H101 AromaticContact CD2-ND1 4Å; F55-H101 AromaticContact CE2-ND1 3.87Å; L97-H101 HydrophobicContact CD1-CB 4.22Å; L97-H101 CarbonylContact O-C 3.57Å; L97-H101 VanDerWaalsContact O-CA 3.32Å; L97-H101 WeakPolarHBondContact O-CA 3.32Å; L97-H101 PolarHBondContact O-N 2.84Å; L97-H101 VanDerWaalsContact O-O 3.08Å
102P91.9Very high96.2Very high46 Ų4659.6 Ų59.630%0.29931%0.308SS..PPolyproline II helixtrans-61.8142.3-177.826.2-34.5000111.2Q104P102-Q104 PolarHBondContact O-NE2 3.01Å; P102-Q104 VanDerWaalsContact O-NE2 3.08Å
103P92.8Very high96.2Very high17 Ų1752.6 Ų52.611%0.1128%0.275CS..PPolyproline II helixtrans-54.5140.5176.3-25.533.7000112.4I44 I133 V137I44-P103 HydrophobicContact CB-CB 4.16Å; I44-P103 HydrophobicContact CD1-CB 3.88Å; I44-P103 HydrophobicContact CD1-CG 4.49Å; I44-P103 HydrophobicContact CG2-CB 3.71Å; P103-I133 HydrophobicContact CG-CG2 3.73Å; P103-V137 HydrophobicContact CB-CG2 4.03Å; P103-V137 HydrophobicContact CG-CG2 4.1Å
104Q96.9Very high96.3Very high102 Ų10251.5 Ų51.548%0.47727%0.271SS..PPolyproline II helixtrans-91.3121.3-179.3-59.9-61.8-51.400110I44 R45 E46 P102 T106I44-Q104 CarbonylContact C-O 3.49Å; I44-Q104 VanDerWaalsContact CA-O 3.23Å; I44-Q104 WeakPolarHBondContact CA-O 3.24Å; R45-Q104 HydrophobicContact CG-CB 4.44Å; R45-Q104 PolarHBondContact N-O 3.35Å; E46-Q104 VanDerWaalsContact OE1-CB 3.26Å; E46-Q104 WeakPolarHBondContact OE1-CB 3.48Å; E46-Q104 VanDerWaalsContact OE1-CG 3.23Å; E46-Q104 WeakPolarHBondContact OE1-CG 3.18Å; E46-Q104 PolarHBondContact OE2-N 3.3Å; P102-Q104 PolarHBondContact O-NE2 3.01Å; P102-Q104 VanDerWaalsContact O-NE2 3.08Å; Q104-T106 PolarHBondContact O-N 3.46Å
105L98.4Very high96.4Very high40 Ų4055 Ų5521%0.20928%0.284CS..BIsolated β-bridgetrans-61.7136.6174.7-63.9179.2000111V43 I44 I109 V137 Q140 L141V43-L105 HydrophobicContact CG1-CD2 4.19Å; I44-L105 HydrophobicContact CG2-CD2 4.28Å; L105-I109 HydrophobicContact CB-CG2 3.86Å; L105-I109 HydrophobicContact CD2-CG2 4.25Å; L105-I109 HydrophobicContact CG-CG2 4.43Å; L105-V137 HydrophobicContact CD2-CG1 3.96Å; L105-Q140 HydrophobicContact CD1-CB 4.22Å; L105-L141 HydrophobicContact CD1-CD2 3.85Å; L105-L141 HydrophobicContact CD2-CD1 4.25Å; L105-L141 HydrophobicContact CD2-CD2 4.23Å; L105-L141 HydrophobicContact CD2-CG 4.28Å
106T98.8Very high96.6Very high5 Ų550.9 Ų50.93%0.03126%0.262CS..PPolyproline II helixtrans-63.8134.2171.3-60.30000109.9T42 V43 I44 Q104 G108 I109 F214 N217 F234T42-T106 VanDerWaalsContact O-CB 3.26Å; T42-T106 WeakPolarHBondContact O-CB 3.35Å; T42-T106 PolarHBondContact O-OG1 2.88Å; V43-T106 PolarHBondContact O-N 3.17Å; V43-T106 PolarHBondContact O-OG1 2.94Å; I44-T106 PolarHBondContact O-OG1 2.96Å; Q104-T106 PolarHBondContact O-N 3.46Å; T106-G108 PolarHBondContact O-N 2.68Å; T106-I109 WeakPolarHBondContact O-CB 3.35Å; T106-I109 WeakPolarHBondContact O-CG2 3.46Å; T106-I109 PolarHBondContact O-N 3.46Å; T106-I109 VanDerWaalsContact O-N 3.16Å; T106-F214 HydrophobicContact CG2-CE1 3.97Å; T106-F214 HydrophobicContact CG2-CZ 3.55Å; T106-N217 PolarHBondContact OG1-ND2 3.03Å; T106-F234 HydrophobicContact CG2-CD2 3.78Å; T106-F234 HydrophobicContact CG2-CE2 3.53Å
107P98.6Very high96.7Very high74 Ų7448.8 Ų48.848%0.48125%0.254SS..THydrogen-bonded Turntrans-51134.7179.9-28.737000113I109 F234P107-I109 VanDerWaalsContact C-N 3.32Å; P107-I109 PolarHBondContact O-N 3.25Å; P107-F234 WeakPolarHBondContact O-CD2 3.47Å
108G98.4Very high96.8Very high22 Ų2255.9 Ų55.923%0.22728%0.284CS..THydrogen-bonded Turntrans84.6-15.4179.400000115.7T106 K110 E111 L112T106-G108 PolarHBondContact O-N 2.68Å; G108-K110 VanDerWaalsContact C-N 3.34Å; G108-K110 PolarHBondContact O-N 2.9Å; G108-E111 PolarHBondContact O-N 3.15Å; G108-L112 WeakPolarHBondContact O-CB 3.26Å; G108-L112 PolarHBondContact O-N 3.46Å
109I98.8Very high97Very high0 Ų057.8 Ų57.80%029%0.29CS..Hα-helixtrans-63-39.8-176.2-16949.7000112.9F37 V43 L105 T106 P107 E111 L112 V113 L141 F234F37-I109 HydrophobicContact CD1-CD1 4.13Å; F37-I109 HydrophobicContact CE1-CD1 3.82Å; F37-I109 HydrophobicContact CZ-CD1 4.16Å; V43-I109 HydrophobicContact CB-CG1 4.33Å; V43-I109 HydrophobicContact CG1-CG1 4.05Å; V43-I109 HydrophobicContact CG2-CD1 4.16Å; V43-I109 HydrophobicContact CG2-CG1 4.06Å; L105-I109 HydrophobicContact CB-CG2 3.86Å; L105-I109 HydrophobicContact CD2-CG2 4.25Å; L105-I109 HydrophobicContact CG-CG2 4.43Å; T106-I109 WeakPolarHBondContact O-CB 3.35Å; T106-I109 WeakPolarHBondContact O-CG2 3.46Å; T106-I109 PolarHBondContact O-N 3.46Å; T106-I109 VanDerWaalsContact O-N 3.16Å; P107-I109 VanDerWaalsContact C-N 3.32Å; P107-I109 PolarHBondContact O-N 3.25Å; I109-E111 PolarHBondContact O-N 2.88Å; I109-L112 HydrophobicContact CD1-CD2 4.25Å; I109-L112 PolarHBondContact O-N 3.05Å; I109-V113 HydrophobicContact CD1-CG2 4.05Å; I109-V113 HydrophobicContact CG1-CG2 4.33Å; I109-V113 WeakPolarHBondContact O-CG2 3.48Å; I109-V113 PolarHBondContact O-N 3.04Å; I109-L141 HydrophobicContact CG1-CD1 4.41Å; I109-L141 HydrophobicContact CG2-CD2 4.17Å; I109-F234 HydrophobicContact CB-CD2 3.64Å; I109-F234 HydrophobicContact CB-CE2 3.62Å; I109-F234 HydrophobicContact CD1-CD1 4.41Å; I109-F234 HydrophobicContact CD1-CD2 4.09Å; I109-F234 HydrophobicContact CD1-CE1 4.08Å; I109-F234 HydrophobicContact CD1-CE2 3.71Å; I109-F234 HydrophobicContact CD1-CG 4.43Å; I109-F234 HydrophobicContact CD1-CZ 3.72Å; I109-F234 HydrophobicContact CG1-CD2 4.33Å; I109-F234 HydrophobicContact CG1-CE2 3.94Å; I109-F234 HydrophobicContact CG1-CZ 4.37Å
110K98.6Very high97.1Very high102 Ų10259.6 Ų59.644%0.44330%0.296SS..Hα-helixtrans-61.8-47.4179.5-174.9-179.3179-61.50111.1G108 L112 V113 D114 L141G108-K110 VanDerWaalsContact C-N 3.34Å; G108-K110 PolarHBondContact O-N 2.9Å; K110-L112 VanDerWaalsContact C-N 3.34Å; K110-V113 PolarHBondContact O-N 3.3Å; K110-D114 IonicContact NZ-OD2 3.39Å; K110-D114 PolarHBondContact NZ-OD2 3.17Å; K110-D114 WeakPolarHBondContact O-CB 3.1Å; K110-D114 VanDerWaalsContact O-CG 3.23Å; K110-D114 PolarHBondContact O-N 2.93Å; K110-L141 HydrophobicContact CB-CD2 3.97Å; K110-L141 HydrophobicContact CG-CD2 4.27Å
111E98.6Very high97.4Very high114 Ų11456.3 Ų56.353%0.53328%0.278SS..Hα-helixtrans-65.2-39.9178.3-174174.5178.200111.6G108 I109 D114 R115 L238G108-E111 PolarHBondContact O-N 3.15Å; I109-E111 PolarHBondContact O-N 2.88Å; E111-D114 PolarHBondContact O-N 3.49Å; E111-R115 WeakPolarHBondContact O-CB 3.36Å; E111-R115 PolarHBondContact O-N 3.08Å; E111-L238 HydrophobicContact CB-CD1 4.09Å; E111-L238 HydrophobicContact CG-CD1 3.92Å; E111-L238 HydrophobicContact CG-CD2 4Å
112L98.8Very high97.7Very high0 Ų055.9 Ų55.90%028%0.275CS..Hα-helixtrans-60-49.6175.3178.961.4000111.9F29 F37 G108 I109 K110 R115 L116 F234 L237 L238 L241F29-L112 HydrophobicContact CZ-CD1 4.27Å; F37-L112 HydrophobicContact CE1-CD2 3.95Å; F37-L112 HydrophobicContact CZ-CD2 3.82Å; F37-L112 HydrophobicContact CZ-CG 4.35Å; G108-L112 WeakPolarHBondContact O-CB 3.26Å; G108-L112 PolarHBondContact O-N 3.46Å; I109-L112 HydrophobicContact CD1-CD2 4.25Å; I109-L112 PolarHBondContact O-N 3.05Å; K110-L112 VanDerWaalsContact C-N 3.34Å; L112-R115 WeakPolarHBondContact O-CB 3.29Å; L112-R115 PolarHBondContact O-N 3.19Å; L112-L116 HydrophobicContact CD1-CD1 4.49Å; L112-L116 HydrophobicContact CD1-CG 4.44Å; L112-L116 HydrophobicContact CG-CD1 4.26Å; L112-L116 WeakPolarHBondContact O-CG 3.49Å; L112-L116 PolarHBondContact O-N 3.41Å; L112-F234 HydrophobicContact CD2-CB 4.16Å; L112-F234 HydrophobicContact CD2-CD1 3.46Å; L112-F234 VanDerWaalsContact CD2-CD1 3.46Å; L112-F234 HydrophobicContact CD2-CE1 4.09Å; L112-F234 HydrophobicContact CD2-CG 4Å; L112-L237 HydrophobicContact CD1-CB 3.9Å; L112-L237 HydrophobicContact CD2-CB 4.07Å; L112-L237 HydrophobicContact CD2-CD1 3.74Å; L112-L237 HydrophobicContact CD2-CG 4.46Å; L112-L238 HydrophobicContact CB-CD2 4.27Å; L112-L238 HydrophobicContact CB-CG 4.3Å; L112-L238 HydrophobicContact CD1-CD2 4.22Å; L112-L238 HydrophobicContact CD1-CG 4.28Å; L112-L241 HydrophobicContact CD1-CD1 3.81Å
113V98.8Very high98Very high1 Ų153.7 Ų53.71%0.00626%0.261CS..Hα-helixtrans-62.1-44.9177.5172.30000110.9I109 K110 R115 L116 H117 V123 L141 I143I109-V113 HydrophobicContact CD1-CG2 4.05Å; I109-V113 HydrophobicContact CG1-CG2 4.33Å; I109-V113 WeakPolarHBondContact O-CG2 3.48Å; I109-V113 PolarHBondContact O-N 3.04Å; K110-V113 PolarHBondContact O-N 3.3Å; V113-R115 PolarHBondContact O-N 2.9Å; V113-L116 PolarHBondContact O-N 2.98Å; V113-L116 VanDerWaalsContact O-N 3.15Å; V113-H117 VanDerWaalsContact CG1-CE1 3.46Å; V113-H117 WeakPolarHBondContact CG1-CE1 3.26Å; V113-H117 PolarHBondContact O-N 3.35Å; V113-V123 HydrophobicContact CG1-CG1 4.4Å; V113-V123 HydrophobicContact CG1-CG2 4.41Å; V113-V123 HydrophobicContact CG2-CG1 4.27Å; V113-L141 HydrophobicContact CG1-CB 4.3Å; V113-L141 WeakPolarHBondContact CG1-O 3.33Å; V113-L141 HydrophobicContact CG2-CD1 4.48Å; V113-I143 HydrophobicContact CG1-CD1 4.25Å; V113-I143 HydrophobicContact CG1-CG1 4.05Å; V113-I143 HydrophobicContact CG2-CD1 4.47Å
114D98.4Very high98.3Very high41 Ų4152.9 Ų52.922%0.21926%0.256CS..Hα-helixtrans-57.9-38.5175.6-73.5-24.7000111K110 E111 K118K110-D114 IonicContact NZ-OD2 3.39Å; K110-D114 PolarHBondContact NZ-OD2 3.17Å; K110-D114 WeakPolarHBondContact O-CB 3.1Å; K110-D114 VanDerWaalsContact O-CG 3.23Å; K110-D114 PolarHBondContact O-N 2.93Å; E111-D114 PolarHBondContact O-N 3.49Å; D114-K118 VanDerWaalsContact O-CG 3.3Å; D114-K118 WeakPolarHBondContact O-CG 3.43Å; D114-K118 PolarHBondContact O-N 2.91Å; D114-K118 VanDerWaalsContact O-N 3.08Å
115R98.3Very high98.4Very high74 Ų7448.1 Ų48.128%0.27923%0.233SC..Hα-helixtrans-70.2-38.1175.7-98.5-53.3-41.9-169.4-9.7113.9E111 L112 V113 R119 L238 L241E111-R115 WeakPolarHBondContact O-CB 3.36Å; E111-R115 PolarHBondContact O-N 3.08Å; L112-R115 WeakPolarHBondContact O-CB 3.29Å; L112-R115 PolarHBondContact O-N 3.19Å; V113-R115 PolarHBondContact O-N 2.9Å; R115-R119 PolarHBondContact O-N 3.27Å; R115-L238 HydrophobicContact CB-CD2 4.01Å; R115-L238 HydrophobicContact CG-CD2 3.84Å; R115-L241 HydrophobicContact CB-CD1 4.3Å
116L98.4Very high98.4Very high0 Ų046.2 Ų46.20%022%0.223CC..Hα-helixtrans-65.1-45.2175.1-69.4170.8000110.5F29 V35 F37 L112 V113 K118 R119 N120 I121 V123 L241F29-L116 HydrophobicContact CE2-CD2 4.27Å; F29-L116 HydrophobicContact CZ-CD2 4.4Å; V35-L116 HydrophobicContact CB-CD1 4.16Å; V35-L116 HydrophobicContact CG1-CD1 4.31Å; V35-L116 HydrophobicContact CG2-CD1 4.27Å; V35-L116 HydrophobicContact CG2-CD2 4.07Å; F37-L116 HydrophobicContact CE2-CD1 3.76Å; F37-L116 HydrophobicContact CZ-CD1 3.84Å; L112-L116 HydrophobicContact CD1-CD1 4.49Å; L112-L116 HydrophobicContact CD1-CG 4.44Å; L112-L116 HydrophobicContact CG-CD1 4.26Å; L112-L116 WeakPolarHBondContact O-CG 3.49Å; L112-L116 PolarHBondContact O-N 3.41Å; V113-L116 PolarHBondContact O-N 2.98Å; V113-L116 VanDerWaalsContact O-N 3.15Å; L116-K118 PolarHBondContact O-N 2.86Å; L116-R119 CarbonylContact O-C 3.42Å; L116-R119 WeakPolarHBondContact O-CA 3.49Å; L116-R119 WeakPolarHBondContact O-CB 3.23Å; L116-R119 PolarHBondContact O-N 3.45Å; L116-N120 PolarHBondContact O-N 2.72Å; L116-I121 HydrophobicContact CB-CB 4.26Å; L116-I121 HydrophobicContact CD2-CB 4.31Å; L116-I121 HydrophobicContact CD2-CD1 3.81Å; L116-I121 HydrophobicContact CD2-CG2 4.2Å; L116-I121 WeakPolarHBondContact O-CB 3.42Å; L116-I121 PolarHBondContact O-N 3.17Å; L116-V123 HydrophobicContact CB-CG2 3.74Å; L116-V123 HydrophobicContact CD1-CG2 3.91Å; L116-V123 HydrophobicContact CG-CG2 4.48Å; L116-L241 HydrophobicContact CD2-CD1 3.86Å; L116-L241 HydrophobicContact CD2-CD2 4.48Å; L116-L241 HydrophobicContact CG-CD1 4.34Å
117H98.1Very high98.4Very high58 Ų5846 Ų4627%0.26922%0.222SC..Hα-helixtrans-59.5-44175.1-70.4164.4000112.6V113 R119 N120 N142V113-H117 VanDerWaalsContact CG1-CE1 3.46Å; V113-H117 WeakPolarHBondContact CG1-CE1 3.26Å; V113-H117 PolarHBondContact O-N 3.35Å; H117-R119 PolarHBondContact O-N 2.78Å; H117-R119 VanDerWaalsContact O-N 3.12Å; H117-N120 PolarHBondContact O-N 2.58Å; H117-N142 PolarHBondContact CE1-O 2.9Å
118K97.6Very high98.2Very high158 Ų15843.2 Ų43.269%0.68721%0.207SC*.Hα-helixtrans-60.1-21.2175.3-76172.1-176.11750113.5D114 L116D114-K118 VanDerWaalsContact O-CG 3.3Å; D114-K118 WeakPolarHBondContact O-CG 3.43Å; D114-K118 PolarHBondContact O-N 2.91Å; D114-K118 VanDerWaalsContact O-N 3.08Å; L116-K118 PolarHBondContact O-N 2.86Å
119R97Very high98Very high61 Ų6142.4 Ų42.423%0.2320%0.199CC..THydrogen-bonded Turntrans-93.97.2173.6-74.4-162.8154.1147.717.7114.2R115 L116 H117 I121 L241 I244R115-R119 PolarHBondContact O-N 3.27Å; L116-R119 CarbonylContact O-C 3.42Å; L116-R119 WeakPolarHBondContact O-CA 3.49Å; L116-R119 WeakPolarHBondContact O-CB 3.23Å; L116-R119 PolarHBondContact O-N 3.45Å; H117-R119 PolarHBondContact O-N 2.78Å; H117-R119 VanDerWaalsContact O-N 3.12Å; R119-I121 HydrophobicContact CB-CD1 4.01Å; R119-I121 HydrophobicContact CB-CG1 3.85Å; R119-I121 PolarHBondContact O-N 2.92Å; R119-L241 PolarHBondContact NH1-O 3.29Å; R119-L241 PolarHBondContact NH2-O 2.93Å; R119-I244 PolarHBondContact NH2-O 2.84Å
120N97.3Very high97.9Very high144 Ų14442.5 Ų42.577%0.7720%0.199SC*.THydrogen-bonded Turntrans60.219.9-173-56.8-58.5000114.2L116 H117L116-N120 PolarHBondContact O-N 2.72Å; H117-N120 PolarHBondContact O-N 2.58Å
121I98.4Very high97.9Very high10 Ų1039.5 Ų39.55%0.05119%0.185CC..  trans-78.8128.6174.4-56.8-178.7000108.2A32 V35 L116 R119A32-I121 HydrophobicContact CB-CG2 4.48Å; A32-I121 VanDerWaalsContact O-CG1 3.31Å; A32-I121 WeakPolarHBondContact O-CG1 3.47Å; V35-I121 HydrophobicContact CG2-CG2 3.84Å; L116-I121 HydrophobicContact CB-CB 4.26Å; L116-I121 HydrophobicContact CD2-CB 4.31Å; L116-I121 HydrophobicContact CD2-CD1 3.81Å; L116-I121 HydrophobicContact CD2-CG2 4.2Å; L116-I121 WeakPolarHBondContact O-CB 3.42Å; L116-I121 PolarHBondContact O-N 3.17Å; R119-I121 HydrophobicContact CB-CD1 4.01Å; R119-I121 HydrophobicContact CB-CG1 3.85Å; R119-I121 PolarHBondContact O-N 2.92Å
122K98.8Very high97.7Very high105 Ų10536 Ų3646%0.45717%0.173SC..EExtended strand (participates in β ladder)trans-76.3129.6179-59.8-58.8-176-178.10110.3D33 A34 V35 F124 F189D33-K122 PolarHBondContact O-N 3.28Å; A34-K122 CarbonylContact C-O 3.55Å; A34-K122 WeakPolarHBondContact CA-O 3.47Å; A34-K122 HydrophobicContact CB-CB 4.15Å; V35-K122 PolarHBondContact N-O 2.86Å; K122-F124 HydrophobicContact CB-CD2 4.41Å; K122-F124 HydrophobicContact CB-CE2 3.63Å; K122-F124 HydrophobicContact CB-CZ 4.3Å; K122-F189 HydrophobicContact CB-CE1 4.37Å; K122-F189 HydrophobicContact CB-CZ 3.92Å; K122-F189 HydrophobicContact CG-CE1 3.95Å; K122-F189 HydrophobicContact CG-CZ 3.8Å
123V98.9Very high97.5Very high0 Ų036.4 Ų36.40%018%0.175CC..EExtended strand (participates in β ladder)trans-107.3131179.9-177.50000110V35 F37 V113 L116 I143 H147V35-V123 WeakPolarHBondContact O-CA 3.34Å; F37-V123 HydrophobicContact CD2-CG1 3.82Å; F37-V123 HydrophobicContact CE2-CG1 3.87Å; V113-V123 HydrophobicContact CG1-CG1 4.4Å; V113-V123 HydrophobicContact CG1-CG2 4.41Å; V113-V123 HydrophobicContact CG2-CG1 4.27Å; L116-V123 HydrophobicContact CB-CG2 3.74Å; L116-V123 HydrophobicContact CD1-CG2 3.91Å; L116-V123 HydrophobicContact CG-CG2 4.48Å; V123-I143 HydrophobicContact CB-CD1 4.49Å; V123-I143 HydrophobicContact CB-CG1 4.43Å; V123-I143 HydrophobicContact CG1-CD1 3.66Å; V123-I143 HydrophobicContact CG1-CG1 4.11Å; V123-H147 WeakPolarHBondContact O-CB 3.19Å; V123-H147 PolarHBondContact O-ND1 3.19Å
124F98.9Very high97.5Very high0 Ų036.4 Ų36.40%018%0.175CC..EExtended strand (participates in β ladder)trans-124.5146.3178.3-65.4-91000111.2A34 V35 C36 F37 K122 H147 Y149 L183 Y187 F189A34-F124 HydrophobicContact CB-CD2 4.14Å; A34-F124 HydrophobicContact CB-CE2 3.93Å; V35-F124 PolarHBondContact O-N 2.99Å; C36-F124 WeakPolarHBondContact CA-O 3.43Å; C36-F124 HydrophobicContact CB-CB 4.49Å; F37-F124 PolarHBondContact N-O 2.88Å; K122-F124 HydrophobicContact CB-CD2 4.41Å; K122-F124 HydrophobicContact CB-CE2 3.63Å; K122-F124 HydrophobicContact CB-CZ 4.3Å; F124-H147 WeakPolarHBondContact CA-O 3.25Å; F124-H147 HydrophobicContact CD1-CB 3.49Å; F124-H147 VanDerWaalsContact CD1-CB 3.49Å; F124-H147 AromaticContact CD1-CG 3.61Å; F124-H147 HydrophobicContact CE1-CB 3.82Å; F124-H147 AromaticContact CE1-CD2 3.4Å; F124-H147 VanDerWaalsContact CE1-CD2 3.4Å; F124-H147 WeakPolarHBondContact CE1-CD2 3.13Å; F124-H147 AromaticContact CE1-CG 3.42Å; F124-H147 VanDerWaalsContact CE1-CG 3.42Å; F124-H147 AromaticContact CE1-ND1 3.83Å; F124-H147 AromaticContact CE1-NE2 3.84Å; F124-H147 HydrophobicContact CG-CB 4.21Å; F124-H147 AromaticContact CZ-CD2 3.95Å; F124-H147 AromaticContact CZ-CE1 3.9Å; F124-H147 AromaticContact CZ-NE2 3.88Å; F124-Y149 HydrophobicContact CD1-CD2 4.49Å; F124-Y149 AromaticContact CD1-CE2 3.89Å; F124-Y149 HydrophobicContact CD1-CE2 3.89Å; F124-Y149 HydrophobicContact CE1-CE2 4.31Å; F124-L183 HydrophobicContact CB-CD1 4.26Å; F124-L183 HydrophobicContact CD1-CD1 3.82Å; F124-L183 HydrophobicContact CD1-CD2 3.81Å; F124-L183 HydrophobicContact CD1-CG 4.5Å; F124-L183 HydrophobicContact CD2-CD1 4.02Å; F124-L183 HydrophobicContact CE1-CD1 4.14Å; F124-L183 HydrophobicContact CE1-CD2 3.38Å; F124-L183 HydrophobicContact CE1-CG 4.4Å; F124-L183 HydrophobicContact CE2-CD1 4.31Å; F124-L183 HydrophobicContact CE2-CD2 4.44Å; F124-L183 HydrophobicContact CG-CD1 3.76Å; F124-L183 HydrophobicContact CZ-CD1 4.38Å; F124-L183 HydrophobicContact CZ-CD2 3.75Å; F124-Y187 HydrophobicContact CE1-CE2 4.2Å; F124-Y187 HydrophobicContact CZ-CD2 4.3Å; F124-Y187 AromaticContact CZ-CE2 3.98Å; F124-Y187 HydrophobicContact CZ-CE2 3.98Å; F124-F189 AromaticContact CE2-CE2 3.61Å; F124-F189 HydrophobicContact CE2-CE2 3.61Å; F124-F189 AromaticContact CE2-CZ 3.91Å; F124-F189 HydrophobicContact CE2-CZ 3.91Å; F124-F189 AromaticContact CZ-CE2 3.84Å; F124-F189 HydrophobicContact CZ-CE2 3.84Å; F124-F189 HydrophobicContact CZ-CZ 4.09Å
125L98.9Very high97.4Very high1 Ų136.7 Ų36.71%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-108.1122.6169.1-59.8-172.1000108.8F37 V39 V43 V134 V137 A138 I143 H147 Y149F37-L125 HydrophobicContact CB-CD2 4.01Å; V39-L125 HydrophobicContact CG2-CB 3.88Å; V39-L125 HydrophobicContact CG2-CD1 4.21Å; V39-L125 HydrophobicContact CG2-CD2 4.35Å; V39-L125 HydrophobicContact CG2-CG 4.37Å; V43-L125 HydrophobicContact CG2-CD2 4.04Å; L125-V134 HydrophobicContact CB-CG1 3.87Å; L125-V134 HydrophobicContact CD1-CG1 3.77Å; L125-V134 HydrophobicContact CG-CG1 4.5Å; L125-V137 HydrophobicContact CD1-CG1 4.28Å; L125-A138 HydrophobicContact CD1-CB 3.88Å; L125-I143 HydrophobicContact CD1-CD1 4.18Å; L125-I143 HydrophobicContact CD2-CD1 3.79Å; L125-I143 HydrophobicContact CG-CD1 3.87Å; L125-H147 PolarHBondContact N-O 3.32Å; L125-Y149 PolarHBondContact O-N 3.33Å
126I98.7Very high97.4Very high0 Ų035.6 Ų35.60%017%0.173CC..EExtended strand (participates in β ladder)trans-125.2108178.9-47178.6000108.6C36 F37 Y149 T170 K176 V179 I180 L183C36-I126 HydrophobicContact CB-CD1 3.67Å; C36-I126 HydrophobicContact CB-CG1 4.22Å; F37-I126 PolarHBondContact O-N 2.79Å; I126-Y149 WeakPolarHBondContact CA-O 3.3Å; I126-T170 HydrophobicContact CG2-CG2 4.13Å; I126-K176 HydrophobicContact CG2-CB 4.14Å; I126-K176 HydrophobicContact CG2-CG 3.84Å; I126-K176 WeakPolarHBondContact O-CE 3.28Å; I126-V179 HydrophobicContact CD1-CB 4.07Å; I126-V179 HydrophobicContact CD1-CG1 3.58Å; I126-V179 HydrophobicContact CG1-CG1 3.96Å; I126-V179 HydrophobicContact CG2-CB 4.08Å; I126-V179 HydrophobicContact CG2-CG1 4.16Å; I126-V179 HydrophobicContact CG2-CG2 4.13Å; I126-I180 HydrophobicContact CD1-CD1 4.45Å; I126-I180 HydrophobicContact CD1-CG1 3.76Å; I126-L183 HydrophobicContact CD1-CD1 4.42Å
127S97.6Very high97.3Very high0 Ų035.6 Ų35.60%017%0.173CC..EExtended strand (participates in β ladder)trans-129.1145.1-170.61750000112.5D40 G129 Y149 A150 T170D40-S127 PolarHBondContact OD2-OG 2.96Å; S127-G129 WeakPolarHBondContact OG-CA 3.3Å; S127-G129 PolarHBondContact OG-N 2.81Å; S127-Y149 PolarHBondContact N-O 3.27Å; S127-A150 WeakPolarHBondContact O-CA 3.33Å; S127-T170 WeakPolarHBondContact O-CB 3.46Å; S127-T170 WeakPolarHBondContact O-CG2 3.46Å
128G94.6Very high97.3Very high17 Ų1732.9 Ų32.918%0.17516%0.16CC..EExtended strand (participates in β ladder)trans-77-8165.500000113.6N151G128-N151 PolarHBondContact O-ND2 3.1Å
129G94.9Very high97.3Very high5 Ų528.5 Ų28.55%0.05215%0.15CC..EExtended strand (participates in β ladder)trans-77.8-159173.600000113S127 N151S127-G129 WeakPolarHBondContact OG-CA 3.3Å; S127-G129 PolarHBondContact OG-N 2.81Å; G129-N151 VanDerWaalsContact O-CB 3.3Å; G129-N151 WeakPolarHBondContact O-CB 3.44Å; G129-N151 PolarHBondContact O-N 3.27Å
130F96.9Very high97.3Very high2 Ų228.8 Ų28.81%0.00915%0.154CC..EExtended strand (participates in β ladder)trans-110.9136-169.5-63.6-81.4000113.9I49 L80 L84 C132 I133 V134 N151 F153 F164I49-F130 HydrophobicContact CD1-CE2 4.15Å; I49-F130 HydrophobicContact CG1-CE2 4.36Å; L80-F130 HydrophobicContact CD1-CE2 4.46Å; L80-F130 HydrophobicContact CD1-CZ 3.9Å; L84-F130 HydrophobicContact CD1-CE1 4.02Å; L84-F130 HydrophobicContact CD1-CZ 3.65Å; L84-F130 HydrophobicContact CD2-CE2 4.03Å; L84-F130 HydrophobicContact CD2-CZ 3.6Å; L84-F130 HydrophobicContact CG-CZ 4.03Å; F130-C132 VanDerWaalsContact C-N 3.3Å; F130-C132 PolarHBondContact O-N 3.1Å; F130-I133 PolarHBondContact O-N 2.57Å; F130-V134 WeakPolarHBondContact O-CG2 2.94Å; F130-V134 PolarHBondContact O-N 3.26Å; F130-N151 CarbonylContact C-O 3.37Å; F130-N151 VanDerWaalsContact CA-O 3.28Å; F130-N151 WeakPolarHBondContact CA-O 3.36Å; F130-N151 HydrophobicContact CD1-CB 4.1Å; F130-N151 HydrophobicContact CE1-CB 4.12Å; F130-F153 HydrophobicContact CB-CD2 3.92Å; F130-F153 HydrophobicContact CB-CE2 3.54Å; F130-F153 HydrophobicContact CB-CZ 4.23Å; F130-F153 AromaticContact CD1-CD1 3.87Å; F130-F153 HydrophobicContact CD1-CD1 3.87Å; F130-F153 AromaticContact CD1-CD2 3.64Å; F130-F153 HydrophobicContact CD1-CD2 3.64Å; F130-F153 AromaticContact CD1-CE1 3.7Å; F130-F153 HydrophobicContact CD1-CE1 3.7Å; F130-F153 AromaticContact CD1-CE2 3.46Å; F130-F153 HydrophobicContact CD1-CE2 3.46Å; F130-F153 VanDerWaalsContact CD1-CE2 3.46Å; F130-F153 AromaticContact CD1-CG 3.84Å; F130-F153 HydrophobicContact CD1-CG 3.84Å; F130-F153 AromaticContact CD1-CZ 3.49Å; F130-F153 HydrophobicContact CD1-CZ 3.49Å; F130-F153 VanDerWaalsContact CD1-CZ 3.49Å; F130-F153 HydrophobicContact CD2-CD2 4.5Å; F130-F153 HydrophobicContact CD2-CE1 4.18Å; F130-F153 AromaticContact CD2-CE2 3.53Å; F130-F153 HydrophobicContact CD2-CE2 3.53Å; F130-F153 AromaticContact CD2-CZ 3.32Å; F130-F153 HydrophobicContact CD2-CZ 3.32Å; F130-F153 AromaticContact CE1-CD1 3.74Å; F130-F153 HydrophobicContact CE1-CD1 3.74Å; F130-F153 HydrophobicContact CE1-CD2 4.33Å; F130-F153 AromaticContact CE1-CE1 3.4Å; F130-F153 HydrophobicContact CE1-CE1 3.4Å; F130-F153 VanDerWaalsContact CE1-CE1 3.4Å; F130-F153 HydrophobicContact CE1-CE2 4.05Å; F130-F153 HydrophobicContact CE1-CG 4.19Å; F130-F153 AromaticContact CE1-CZ 3.57Å; F130-F153 HydrophobicContact CE1-CZ 3.57Å; F130-F153 AromaticContact CE2-CE1 3.91Å; F130-F153 HydrophobicContact CE2-CE1 3.91Å; F130-F153 HydrophobicContact CE2-CE2 4.11Å; F130-F153 AromaticContact CE2-CZ 3.41Å; F130-F153 HydrophobicContact CE2-CZ 3.41Å; F130-F153 VanDerWaalsContact CE2-CZ 3.41Å; F130-F153 AromaticContact CG-CD2 3.75Å; F130-F153 HydrophobicContact CG-CD2 3.75Å; F130-F153 HydrophobicContact CG-CE1 4.09Å; F130-F153 AromaticContact CG-CE2 3.18Å; F130-F153 HydrophobicContact CG-CE2 3.18Å; F130-F153 HydrophobicContact CG-CG 4.4Å; F130-F153 AromaticContact CG-CZ 3.37Å; F130-F153 HydrophobicContact CG-CZ 3.37Å; F130-F153 HydrophobicContact CZ-CD1 4.33Å; F130-F153 AromaticContact CZ-CE1 3.54Å; F130-F153 HydrophobicContact CZ-CE1 3.54Å; F130-F153 HydrophobicContact CZ-CE2 4.35Å; F130-F153 AromaticContact CZ-CZ 3.54Å; F130-F153 HydrophobicContact CZ-CZ 3.54Å; F130-F164 HydrophobicContact CE1-CB 4.43Å
131R97.3Very high97.4Very high38 Ų3821.9 Ų21.914%0.14312%0.117CC..Hα-helixtrans-56.2-37.8-172.4-169159.6-175.3-78.4-8.1114I133 V134 E135 L145 V148 A150 N151 R152R131-I133 VanDerWaalsContact C-N 3.29Å; R131-I133 PolarHBondContact O-N 3.47Å; R131-V134 PolarHBondContact O-N 3.3Å; R131-E135 HydrophobicContact CG-CG 3.84Å; R131-E135 IonicContact CZ-OE1 2.79Å; R131-E135 IonicContact NE-OE1 3.05Å; R131-E135 VanDerWaalsContact NH1-CD 3.25Å; R131-E135 IonicContact NH1-OE1 2.71Å; R131-E135 PolarHBondContact NH1-OE1 3.41Å; R131-E135 IonicContact NH1-OE2 2.67Å; R131-E135 PolarHBondContact NH1-OE2 3.13Å; R131-E135 IonicContact NH2-OE1 3.17Å; R131-E135 PolarHBondContact NH2-OE1 3.28Å; R131-E135 VanDerWaalsContact O-CB 3.26Å; R131-E135 WeakPolarHBondContact O-CB 3.35Å; R131-E135 WeakPolarHBondContact O-CG 3.36Å; R131-E135 PolarHBondContact O-N 2.66Å; R131-L145 PolarHBondContact NH2-O 2.86Å; R131-V148 HydrophobicContact CG-CG1 4.16Å; R131-A150 HydrophobicContact CB-CB 4.08Å; R131-N151 PolarHBondContact N-O 3.47Å; R131-R152 HydrophobicContact CB-CG 4.14Å; R131-R152 VanDerWaalsContact NE-NH2 3.13Å
132C95.1Very high97.4Very high42 Ų4226.6 Ų26.628%0.28414%0.142SC..Hα-helixtrans-59.4-38.7176.549.70000113.2V94 I98 F130 H136V94-C132 HydrophobicContact CG1-CB 4.33Å; V94-C132 WeakPolarHBondContact CG1-SG 3.39Å; I98-C132 HydrophobicContact CD1-CB 4.12Å; F130-C132 VanDerWaalsContact C-N 3.3Å; F130-C132 PolarHBondContact O-N 3.1Å; C132-H136 PolarHBondContact O-N 3.14Å
133I95.1Very high97.4Very high7 Ų721.9 Ų21.94%0.03612%0.122CC..Hα-helixtrans-75.3-45.4177.3-58.1172.2000109.5L97 I98 P103 F130 R131 E135 H136 V137L97-I133 HydrophobicContact CD2-CD1 4.23Å; I98-I133 HydrophobicContact CD1-CG1 4.17Å; I98-I133 HydrophobicContact CG1-CG1 4.16Å; P103-I133 HydrophobicContact CG-CG2 3.73Å; F130-I133 PolarHBondContact O-N 2.57Å; R131-I133 VanDerWaalsContact C-N 3.29Å; R131-I133 PolarHBondContact O-N 3.47Å; I133-E135 VanDerWaalsContact C-N 3.33Å; I133-E135 PolarHBondContact O-N 3.03Å; I133-H136 WeakPolarHBondContact O-CB 3.14Å; I133-H136 PolarHBondContact O-N 3.12Å; I133-H136 VanDerWaalsContact O-N 3.15Å; I133-V137 PolarHBondContact O-N 3.16Å; I133-V137 VanDerWaalsContact O-N 3.15Å
134V97.9Very high97.3Very high2 Ų224.2 Ų24.21%0.01214%0.137CC..Hα-helixtrans-66.7-34.3-178.2-175.70000112.1V39 L125 F130 R131 H136 V137 A138 V148 A150V39-V134 HydrophobicContact CG1-CG2 4.3Å; V39-V134 HydrophobicContact CG2-CG1 3.74Å; V39-V134 HydrophobicContact CG2-CG2 4.29Å; L125-V134 HydrophobicContact CB-CG1 3.87Å; L125-V134 HydrophobicContact CD1-CG1 3.77Å; L125-V134 HydrophobicContact CG-CG1 4.5Å; F130-V134 WeakPolarHBondContact O-CG2 2.94Å; F130-V134 PolarHBondContact O-N 3.26Å; R131-V134 PolarHBondContact O-N 3.3Å; V134-H136 VanDerWaalsContact C-N 3.32Å; V134-V137 PolarHBondContact O-N 3.3Å; V134-A138 WeakPolarHBondContact O-CB 3.42Å; V134-A138 PolarHBondContact O-N 3.06Å; V134-V148 HydrophobicContact CB-CG1 3.86Å; V134-V148 HydrophobicContact CG1-CG1 3.44Å; V134-V148 VanDerWaalsContact CG1-CG1 3.44Å; V134-V148 HydrophobicContact CG1-CG2 4.45Å; V134-A150 HydrophobicContact CB-CB 4.34Å; V134-A150 HydrophobicContact CG2-CB 3.96Å
135E97.5Very high97.3Very high46 Ų4628.1 Ų28.122%0.21516%0.157CC..Hα-helixtrans-65.3-35.9174-76.5-176133.200111.8R131 I133 A138 S139 L145 V148R131-E135 HydrophobicContact CG-CG 3.84Å; R131-E135 IonicContact CZ-OE1 2.79Å; R131-E135 IonicContact NE-OE1 3.05Å; R131-E135 VanDerWaalsContact NH1-CD 3.25Å; R131-E135 IonicContact NH1-OE1 2.71Å; R131-E135 PolarHBondContact NH1-OE1 3.41Å; R131-E135 IonicContact NH1-OE2 2.67Å; R131-E135 PolarHBondContact NH1-OE2 3.13Å; R131-E135 IonicContact NH2-OE1 3.17Å; R131-E135 PolarHBondContact NH2-OE1 3.28Å; R131-E135 VanDerWaalsContact O-CB 3.26Å; R131-E135 WeakPolarHBondContact O-CB 3.35Å; R131-E135 WeakPolarHBondContact O-CG 3.36Å; R131-E135 PolarHBondContact O-N 2.66Å; I133-E135 VanDerWaalsContact C-N 3.33Å; I133-E135 PolarHBondContact O-N 3.03Å; E135-A138 PolarHBondContact O-N 2.96Å; E135-S139 PolarHBondContact O-N 3.35Å; E135-L145 HydrophobicContact CB-CD2 3.97Å; E135-L145 HydrophobicContact CG-CD2 3.95Å; E135-V148 HydrophobicContact CG-CG1 4.27Å
136H96.4Very high97.2Very high52 Ų5233.7 Ų33.724%0.24118%0.183CC..Hα-helixtrans-62-47.3172.3-177.384.7000110.8I98 C132 I133 V134 A138 S139 Q140I98-H136 HydrophobicContact CG2-CB 3.87Å; I98-H136 WeakPolarHBondContact CG2-ND1 3.39Å; C132-H136 PolarHBondContact O-N 3.14Å; I133-H136 WeakPolarHBondContact O-CB 3.14Å; I133-H136 PolarHBondContact O-N 3.12Å; I133-H136 VanDerWaalsContact O-N 3.15Å; V134-H136 VanDerWaalsContact C-N 3.32Å; H136-A138 PolarHBondContact O-N 2.93Å; H136-S139 PolarHBondContact O-N 3.2Å; H136-S139 PolarHBondContact O-OG 3.15Å; H136-Q140 PolarHBondContact CD2-NE2 3Å; H136-Q140 PolarHBondContact NE2-NE2 3.33Å; H136-Q140 PolarHBondContact O-N 3.28Å
137V97.8Very high97.2Very high0 Ų034.3 Ų34.30%019%0.186CC..Hα-helixtrans-60.4-46.3175.7175.90000111.6V43 I44 P103 L105 L125 I133 V134 S139 Q140 L141V43-V137 HydrophobicContact CG1-CG1 3.48Å; V43-V137 VanDerWaalsContact CG1-CG1 3.48Å; I44-V137 HydrophobicContact CG2-CG1 3.95Å; I44-V137 HydrophobicContact CG2-CG2 3.67Å; P103-V137 HydrophobicContact CB-CG2 4.03Å; P103-V137 HydrophobicContact CG-CG2 4.1Å; L105-V137 HydrophobicContact CD2-CG1 3.96Å; L125-V137 HydrophobicContact CD1-CG1 4.28Å; I133-V137 PolarHBondContact O-N 3.16Å; I133-V137 VanDerWaalsContact O-N 3.15Å; V134-V137 PolarHBondContact O-N 3.3Å; V137-S139 VanDerWaalsContact C-N 3.28Å; V137-S139 PolarHBondContact O-N 3.46Å; V137-Q140 PolarHBondContact O-N 3.4Å; V137-L141 HydrophobicContact CG1-CD1 4.11Å; V137-L141 PolarHBondContact O-N 3.35Å
138A98.4Very high97.3Very high0 Ų034.7 Ų34.70%019%0.189CC..Hα-helixtrans-57.9-40.4177.900000112.3L125 V134 E135 H136 Q140 L141 N142 I143 V148L125-A138 HydrophobicContact CD1-CB 3.88Å; V134-A138 WeakPolarHBondContact O-CB 3.42Å; V134-A138 PolarHBondContact O-N 3.06Å; E135-A138 PolarHBondContact O-N 2.96Å; H136-A138 PolarHBondContact O-N 2.93Å; A138-Q140 VanDerWaalsContact C-N 3.32Å; A138-Q140 PolarHBondContact O-N 2.61Å; A138-L141 CarbonylContact O-C 3.16Å; A138-L141 PolarHBondContact O-N 3Å; A138-L141 VanDerWaalsContact O-N 3.09Å; A138-N142 PolarHBondContact O-N 2.91Å; A138-N142 VanDerWaalsContact O-N 3.12Å; A138-I143 HydrophobicContact CB-CB 4.01Å; A138-I143 HydrophobicContact CB-CG2 4.34Å; A138-I143 PolarHBondContact O-N 3.35Å; A138-V148 HydrophobicContact CB-CG2 3.56Å
139S97.5Very high97.5Very high67 Ų6735.6 Ų35.647%0.46919%0.187SC..Hα-helixtrans-62.4-37.317976.90000112.7E135 H136 V137 L141 N142E135-S139 PolarHBondContact O-N 3.35Å; H136-S139 PolarHBondContact O-N 3.2Å; H136-S139 PolarHBondContact O-OG 3.15Å; V137-S139 VanDerWaalsContact C-N 3.28Å; V137-S139 PolarHBondContact O-N 3.46Å; S139-L141 PolarHBondContact O-N 3.02Å; S139-N142 PolarHBondContact O-N 2.7Å
140Q97.1Very high97.6Very high66 Ų6635.4 Ų35.431%0.30819%0.185SC..Hα-helixtrans-68.7-22.5176.7-61.4-178.6400112.8L105 H136 V137 A138L105-Q140 HydrophobicContact CD1-CB 4.22Å; H136-Q140 PolarHBondContact CD2-NE2 3Å; H136-Q140 PolarHBondContact NE2-NE2 3.33Å; H136-Q140 PolarHBondContact O-N 3.28Å; V137-Q140 PolarHBondContact O-N 3.4Å; A138-Q140 VanDerWaalsContact C-N 3.32Å; A138-Q140 PolarHBondContact O-N 2.61Å
141L98.3Very high97.7Very high0 Ų035.3 Ų35.30%018%0.184CC..THydrogen-bonded Turntrans-1046.1-177-61.1176.1000113.2V43 L105 I109 K110 V113 V137 A138 S139 I143V43-L141 HydrophobicContact CG1-CD1 3.56Å; L105-L141 HydrophobicContact CD1-CD2 3.85Å; L105-L141 HydrophobicContact CD2-CD1 4.25Å; L105-L141 HydrophobicContact CD2-CD2 4.23Å; L105-L141 HydrophobicContact CD2-CG 4.28Å; I109-L141 HydrophobicContact CG1-CD1 4.41Å; I109-L141 HydrophobicContact CG2-CD2 4.17Å; K110-L141 HydrophobicContact CB-CD2 3.97Å; K110-L141 HydrophobicContact CG-CD2 4.27Å; V113-L141 HydrophobicContact CG1-CB 4.3Å; V113-L141 WeakPolarHBondContact CG1-O 3.33Å; V113-L141 HydrophobicContact CG2-CD1 4.48Å; V137-L141 HydrophobicContact CG1-CD1 4.11Å; V137-L141 PolarHBondContact O-N 3.35Å; A138-L141 CarbonylContact O-C 3.16Å; A138-L141 PolarHBondContact O-N 3Å; A138-L141 VanDerWaalsContact O-N 3.09Å; S139-L141 PolarHBondContact O-N 3.02Å; L141-I143 HydrophobicContact CB-CD1 3.81Å; L141-I143 HydrophobicContact CB-CG1 3.95Å; L141-I143 HydrophobicContact CD1-CD1 4.06Å; L141-I143 PolarHBondContact O-N 2.94Å
142N98.1Very high97.7Very high109 Ų10938.2 Ų38.258%0.58320%0.195SC*.THydrogen-bonded Turntrans55.332-174.5-54.8-61.1000113.4H117 A138 S139H117-N142 PolarHBondContact CE1-O 2.9Å; A138-N142 PolarHBondContact O-N 2.91Å; A138-N142 VanDerWaalsContact O-N 3.12Å; S139-N142 PolarHBondContact O-N 2.7Å
143I98.8Very high97.8Very high5 Ų537.5 Ų37.53%0.02619%0.188CC..  trans-90126.9175.6-63.1169.6000107.9V113 V123 L125 A138 L141 H147V113-I143 HydrophobicContact CG1-CD1 4.25Å; V113-I143 HydrophobicContact CG1-CG1 4.05Å; V113-I143 HydrophobicContact CG2-CD1 4.47Å; V123-I143 HydrophobicContact CB-CD1 4.49Å; V123-I143 HydrophobicContact CB-CG1 4.43Å; V123-I143 HydrophobicContact CG1-CD1 3.66Å; V123-I143 HydrophobicContact CG1-CG1 4.11Å; L125-I143 HydrophobicContact CD1-CD1 4.18Å; L125-I143 HydrophobicContact CD2-CD1 3.79Å; L125-I143 HydrophobicContact CG-CD1 3.87Å; A138-I143 HydrophobicContact CB-CB 4.01Å; A138-I143 HydrophobicContact CB-CG2 4.34Å; A138-I143 PolarHBondContact O-N 3.35Å; L141-I143 HydrophobicContact CB-CD1 3.81Å; L141-I143 HydrophobicContact CB-CG1 3.95Å; L141-I143 HydrophobicContact CD1-CD1 4.06Å; L141-I143 PolarHBondContact O-N 2.94Å; I143-H147 HydrophobicContact CG2-CB 3.89Å
144P98.2Very high97.9Very high49 Ų4941.7 Ų41.732%0.31821%0.205SC..  trans-68.2144-177.429.1-35000111.2H146 H147P144-H146 PolarHBondContact O-N 3.21Å; P144-H147 HydrophobicContact CG-CB 4.13Å; P144-H147 WeakPolarHBondContact O-CA 3.45Å; P144-H147 WeakPolarHBondContact O-CB 3.3Å; P144-H147 PolarHBondContact O-N 3.2Å
145L98.1Very high97.9Very high82 Ų8243.7 Ų43.743%0.42921%0.214SC..G310 helixtrans-64.4-19.2-172-54.2-175.2000114.6R131 E135 H147 V148R131-L145 PolarHBondContact NH2-O 2.86Å; E135-L145 HydrophobicContact CB-CD2 3.97Å; E135-L145 HydrophobicContact CG-CD2 3.95Å; L145-H147 VanDerWaalsContact C-N 3.26Å; L145-V148 PolarHBondContact O-N 3.41Å
146H97.8Very high98Very high119 Ų11948.1 Ų48.155%0.55123%0.23SC*.G310 helixtrans-80.3-5.6173.366.7-88.3000113.1P144P144-H146 PolarHBondContact O-N 3.21Å
147H98.6Very high98Very high13 Ų1356 Ų566%0.0626%0.264CS..G310 helixtrans-93.97.9168.1-69.5-165.6000112.8V123 F124 L125 I143 P144 L145V123-H147 WeakPolarHBondContact O-CB 3.19Å; V123-H147 PolarHBondContact O-ND1 3.19Å; F124-H147 WeakPolarHBondContact CA-O 3.25Å; F124-H147 HydrophobicContact CD1-CB 3.49Å; F124-H147 VanDerWaalsContact CD1-CB 3.49Å; F124-H147 AromaticContact CD1-CG 3.61Å; F124-H147 HydrophobicContact CE1-CB 3.82Å; F124-H147 AromaticContact CE1-CD2 3.4Å; F124-H147 VanDerWaalsContact CE1-CD2 3.4Å; F124-H147 WeakPolarHBondContact CE1-CD2 3.13Å; F124-H147 AromaticContact CE1-CG 3.42Å; F124-H147 VanDerWaalsContact CE1-CG 3.42Å; F124-H147 AromaticContact CE1-ND1 3.83Å; F124-H147 AromaticContact CE1-NE2 3.84Å; F124-H147 HydrophobicContact CG-CB 4.21Å; F124-H147 AromaticContact CZ-CD2 3.95Å; F124-H147 AromaticContact CZ-CE1 3.9Å; F124-H147 AromaticContact CZ-NE2 3.88Å; L125-H147 PolarHBondContact N-O 3.32Å; I143-H147 HydrophobicContact CG2-CB 3.89Å; P144-H147 HydrophobicContact CG-CB 4.13Å; P144-H147 WeakPolarHBondContact O-CA 3.45Å; P144-H147 WeakPolarHBondContact O-CB 3.3Å; P144-H147 PolarHBondContact O-N 3.2Å; L145-H147 VanDerWaalsContact C-N 3.26Å
148V98.7Very high97.9Very high8 Ų861 Ų615%0.04829%0.29CS..EExtended strand (participates in β ladder)trans-103.5115.3179.4175.70000110.5R131 V134 E135 A138 L145R131-V148 HydrophobicContact CG-CG1 4.16Å; V134-V148 HydrophobicContact CB-CG1 3.86Å; V134-V148 HydrophobicContact CG1-CG1 3.44Å; V134-V148 VanDerWaalsContact CG1-CG1 3.44Å; V134-V148 HydrophobicContact CG1-CG2 4.45Å; E135-V148 HydrophobicContact CG-CG1 4.27Å; A138-V148 HydrophobicContact CB-CG2 3.56Å; L145-V148 PolarHBondContact O-N 3.41Å
149Y98.6Very high97.9Very high36 Ų3661.6 Ų61.614%0.14130%0.296CS..EExtended strand (participates in β ladder)trans-114.3113.6175.3-62.9-95.1000109.3F124 L125 I126 S127 V179 L183F124-Y149 HydrophobicContact CD1-CD2 4.49Å; F124-Y149 AromaticContact CD1-CE2 3.89Å; F124-Y149 HydrophobicContact CD1-CE2 3.89Å; F124-Y149 HydrophobicContact CE1-CE2 4.31Å; L125-Y149 PolarHBondContact O-N 3.33Å; I126-Y149 WeakPolarHBondContact CA-O 3.3Å; S127-Y149 PolarHBondContact N-O 3.27Å; Y149-V179 HydrophobicContact CD1-CG1 3.68Å; Y149-V179 HydrophobicContact CD1-CG2 4.13Å; Y149-V179 HydrophobicContact CD2-CG1 3.69Å; Y149-V179 HydrophobicContact CE1-CG1 4.09Å; Y149-V179 HydrophobicContact CE2-CG1 4.12Å; Y149-V179 HydrophobicContact CG-CG1 3.45Å; Y149-V179 VanDerWaalsContact CG-CG1 3.45Å; Y149-V179 HydrophobicContact CG-CG2 4.26Å; Y149-L183 HydrophobicContact CE2-CD1 4.45Å; Y149-L183 HydrophobicContact CE2-CD2 3.81Å; Y149-L183 HydrophobicContact CE2-CG 4.43Å; Y149-L183 VanDerWaalsContact OH-CD2 3.29Å; Y149-L183 WeakPolarHBondContact OH-CD2 3.33Å
150A98.1Very high97.9Very high1 Ų163.7 Ų63.71%0.00830%0.299CS..EExtended strand (participates in β ladder)trans-158.6165.2-176.900000110.7S127 R131 V134 T170S127-A150 WeakPolarHBondContact O-CA 3.33Å; R131-A150 HydrophobicContact CB-CB 4.08Å; V134-A150 HydrophobicContact CB-CB 4.34Å; V134-A150 HydrophobicContact CG2-CB 3.96Å; A150-T170 VanDerWaalsContact C-OG1 3.24Å
151N97.7Very high97.9Very high0 Ų061.8 Ų61.80%029%0.289CS..EExtended strand (participates in β ladder)trans-66.6153.5176.2-64.6-43.4000111.1G128 G129 F130 R131 T170 A171G128-N151 PolarHBondContact O-ND2 3.1Å; G129-N151 VanDerWaalsContact O-CB 3.3Å; G129-N151 WeakPolarHBondContact O-CB 3.44Å; G129-N151 PolarHBondContact O-N 3.27Å; F130-N151 CarbonylContact C-O 3.37Å; F130-N151 VanDerWaalsContact CA-O 3.28Å; F130-N151 WeakPolarHBondContact CA-O 3.36Å; F130-N151 HydrophobicContact CD1-CB 4.1Å; F130-N151 HydrophobicContact CE1-CB 4.12Å; R131-N151 PolarHBondContact N-O 3.47Å; N151-T170 PolarHBondContact N-OG1 2.99Å; N151-T170 PolarHBondContact ND2-O 3.27Å; N151-T170 PolarHBondContact OD1-O 3.42Å; N151-T170 PolarHBondContact OD1-OG1 3.12Å; N151-A171 VanDerWaalsContact OD1-CA 3.3Å; N151-A171 WeakPolarHBondContact OD1-CA 3.44Å; N151-A171 PolarHBondContact OD1-N 3.21Å
152R97.4Very high97.9Very high99 Ų9963.4 Ų63.437%0.37430%0.302SS..  trans-121.4126.7-177.7-63.7177.7177.8-110.65.5110.5R131 F164 D165 Q168R131-R152 HydrophobicContact CB-CG 4.14Å; R131-R152 VanDerWaalsContact NE-NH2 3.13Å; R152-F164 CarbonylContact O-C 3.58Å; R152-F164 WeakPolarHBondContact O-CA 3.32Å; R152-F164 VanDerWaalsContact O-CB 3.25Å; R152-F164 WeakPolarHBondContact O-CB 3.5Å; R152-D165 HydrophobicContact CB-CB 4.02Å; R152-D165 PolarHBondContact O-N 3.32Å; R152-Q168 HydrophobicContact CG-CG 4.43Å
153F97.7Very high97.9Very high27 Ų2759 Ų5912%0.11828%0.282CS..EExtended strand (participates in β ladder)trans-64.6148168.9-73.5-62.9000111.4L52 L84 V94 F130 F155 Y161L52-F153 HydrophobicContact CD2-CE2 4.12Å; L52-F153 HydrophobicContact CD2-CZ 3.55Å; L84-F153 HydrophobicContact CD1-CE1 4.34Å; L84-F153 HydrophobicContact CD2-CE1 3.68Å; L84-F153 HydrophobicContact CD2-CZ 4.24Å; V94-F153 HydrophobicContact CG2-CD2 4.33Å; V94-F153 HydrophobicContact CG2-CE2 4.05Å; F130-F153 HydrophobicContact CB-CD2 3.92Å; F130-F153 HydrophobicContact CB-CE2 3.54Å; F130-F153 HydrophobicContact CB-CZ 4.23Å; F130-F153 AromaticContact CD1-CD1 3.87Å; F130-F153 HydrophobicContact CD1-CD1 3.87Å; F130-F153 AromaticContact CD1-CD2 3.64Å; F130-F153 HydrophobicContact CD1-CD2 3.64Å; F130-F153 AromaticContact CD1-CE1 3.7Å; F130-F153 HydrophobicContact CD1-CE1 3.7Å; F130-F153 AromaticContact CD1-CE2 3.46Å; F130-F153 HydrophobicContact CD1-CE2 3.46Å; F130-F153 VanDerWaalsContact CD1-CE2 3.46Å; F130-F153 AromaticContact CD1-CG 3.84Å; F130-F153 HydrophobicContact CD1-CG 3.84Å; F130-F153 AromaticContact CD1-CZ 3.49Å; F130-F153 HydrophobicContact CD1-CZ 3.49Å; F130-F153 VanDerWaalsContact CD1-CZ 3.49Å; F130-F153 HydrophobicContact CD2-CD2 4.5Å; F130-F153 HydrophobicContact CD2-CE1 4.18Å; F130-F153 AromaticContact CD2-CE2 3.53Å; F130-F153 HydrophobicContact CD2-CE2 3.53Å; F130-F153 AromaticContact CD2-CZ 3.32Å; F130-F153 HydrophobicContact CD2-CZ 3.32Å; F130-F153 AromaticContact CE1-CD1 3.74Å; F130-F153 HydrophobicContact CE1-CD1 3.74Å; F130-F153 HydrophobicContact CE1-CD2 4.33Å; F130-F153 AromaticContact CE1-CE1 3.4Å; F130-F153 HydrophobicContact CE1-CE1 3.4Å; F130-F153 VanDerWaalsContact CE1-CE1 3.4Å; F130-F153 HydrophobicContact CE1-CE2 4.05Å; F130-F153 HydrophobicContact CE1-CG 4.19Å; F130-F153 AromaticContact CE1-CZ 3.57Å; F130-F153 HydrophobicContact CE1-CZ 3.57Å; F130-F153 AromaticContact CE2-CE1 3.91Å; F130-F153 HydrophobicContact CE2-CE1 3.91Å; F130-F153 HydrophobicContact CE2-CE2 4.11Å; F130-F153 AromaticContact CE2-CZ 3.41Å; F130-F153 HydrophobicContact CE2-CZ 3.41Å; F130-F153 VanDerWaalsContact CE2-CZ 3.41Å; F130-F153 AromaticContact CG-CD2 3.75Å; F130-F153 HydrophobicContact CG-CD2 3.75Å; F130-F153 HydrophobicContact CG-CE1 4.09Å; F130-F153 AromaticContact CG-CE2 3.18Å; F130-F153 HydrophobicContact CG-CE2 3.18Å; F130-F153 HydrophobicContact CG-CG 4.4Å; F130-F153 AromaticContact CG-CZ 3.37Å; F130-F153 HydrophobicContact CG-CZ 3.37Å; F130-F153 HydrophobicContact CZ-CD1 4.33Å; F130-F153 AromaticContact CZ-CE1 3.54Å; F130-F153 HydrophobicContact CZ-CE1 3.54Å; F130-F153 HydrophobicContact CZ-CE2 4.35Å; F130-F153 AromaticContact CZ-CZ 3.54Å; F130-F153 HydrophobicContact CZ-CZ 3.54Å; F153-F155 HydrophobicContact CB-CD2 4.13Å; F153-F155 HydrophobicContact CB-CE1 4.28Å; F153-F155 HydrophobicContact CB-CE2 3.36Å; F153-F155 HydrophobicContact CB-CZ 3.45Å; F153-F155 VanDerWaalsContact CB-CZ 3.45Å; F153-F155 HydrophobicContact CD1-CZ 4.49Å; F153-F155 HydrophobicContact CD2-CE2 4.5Å; F153-F155 HydrophobicContact CD2-CZ 4.06Å; F153-F155 HydrophobicContact CG-CE2 4.17Å; F153-F155 AromaticContact CG-CZ 3.78Å; F153-F155 HydrophobicContact CG-CZ 3.78Å; F153-Y161 HydrophobicContact CD1-CD2 4.23Å; F153-Y161 AromaticContact CD1-CE2 3.93Å; F153-Y161 HydrophobicContact CD1-CE2 3.93Å; F153-Y161 HydrophobicContact CE1-CE2 4.22Å
154K98Very high97.8Very high94 Ų9459 Ų5941%0.40928%0.282SS..EExtended strand (participates in β ladder)trans-110.5137.3163.9-66.5173.2178.5159.40107.6A162 G163 F164K154-A162 HydrophobicContact CB-CB 4.21Å; K154-A162 WeakPolarHBondContact O-CA 3.27Å; K154-A162 PolarHBondContact O-N 3.34Å; K154-G163 PolarHBondContact N-O 2.86Å; K154-F164 WeakPolarHBondContact CD-O 2.98Å; K154-F164 VanDerWaalsContact CE-O 3.26Å; K154-F164 WeakPolarHBondContact CE-O 3.26Å; K154-F164 PolarHBondContact NZ-O 3.13Å
155F98.1Very high97.8Very high45 Ų4558 Ų5820%0.19727%0.274CS..EExtended strand (participates in β ladder)trans-129.8145.3176.2-58.4-78.6000109.4C89 R91 V94 F153 G159 E160C89-F155 WeakPolarHBondContact O-CE1 3.43Å; R91-F155 HydrophobicContact CB-CD1 3.99Å; R91-F155 HydrophobicContact CB-CD2 4.07Å; R91-F155 HydrophobicContact CB-CE1 4.11Å; R91-F155 HydrophobicContact CB-CE2 4.16Å; R91-F155 HydrophobicContact CB-CG 3.98Å; R91-F155 HydrophobicContact CB-CZ 4.19Å; R91-F155 HydrophobicContact CG-CD2 4.27Å; R91-F155 HydrophobicContact CG-CE2 4.26Å; R91-F155 VanDerWaalsContact N-CE1 3.33Å; V94-F155 HydrophobicContact CG2-CZ 4.15Å; F153-F155 HydrophobicContact CB-CD2 4.13Å; F153-F155 HydrophobicContact CB-CE1 4.28Å; F153-F155 HydrophobicContact CB-CE2 3.36Å; F153-F155 HydrophobicContact CB-CZ 3.45Å; F153-F155 VanDerWaalsContact CB-CZ 3.45Å; F153-F155 HydrophobicContact CD1-CZ 4.49Å; F153-F155 HydrophobicContact CD2-CE2 4.5Å; F153-F155 HydrophobicContact CD2-CZ 4.06Å; F153-F155 HydrophobicContact CG-CE2 4.17Å; F153-F155 AromaticContact CG-CZ 3.78Å; F153-F155 HydrophobicContact CG-CZ 3.78Å; F155-G159 WeakPolarHBondContact CD1-O 3.46Å; F155-E160 CarbonylContact C-O 3.57Å; F155-E160 WeakPolarHBondContact CA-O 3.21Å
156Y98.3Very high97.6Very high139 Ų13958.4 Ų58.455%0.54527%0.274SS..  trans-67170.1167-67.8-61.8000110.7N158 G159 E160 A162Y156-N158 WeakPolarHBondContact CB-OD1 2.99Å; Y156-N158 PolarHBondContact O-N 2.82Å; Y156-G159 PolarHBondContact O-N 2.79Å; Y156-E160 HydrophobicContact CD2-CB 4.18Å; Y156-E160 PolarHBondContact N-O 2.71Å; Y156-A162 HydrophobicContact CD1-CB 3.96Å; Y156-A162 HydrophobicContact CD2-CB 3.74Å; Y156-A162 HydrophobicContact CE1-CB 3.91Å; Y156-A162 HydrophobicContact CE2-CB 3.68Å; Y156-A162 HydrophobicContact CG-CB 3.87Å
157F96.9Very high97.5Very high217 Ų21758.2 Ų58.295%0.95228%0.281SS*.THydrogen-bonded Turntrans-59.8-33.8180-174.4-97.6000112.7G159F157-G159 PolarHBondContact O-N 3.1Å
158N96.4Very high97.4Very high105 Ų10559.3 Ų59.356%0.56129%0.286SS*.THydrogen-bonded Turntrans-74.3-0.517567.4-5.4000114Y156 E160Y156-N158 WeakPolarHBondContact CB-OD1 2.99Å; Y156-N158 PolarHBondContact O-N 2.82Å; N158-E160 WeakPolarHBondContact ND2-CG 3.43Å; N158-E160 PolarHBondContact ND2-OE2 3.09Å; N158-E160 WeakPolarHBondContact OD1-CB 3.2Å; N158-E160 PolarHBondContact OD1-N 2.85Å
159G97.3Very high97.2Very high12 Ų1260.3 Ų60.312%0.12429%0.293CS..SBendtrans85.70.7179.800000115.2S90 R91 F155 Y156 F157S90-G159 CarbonylContact C-O 3.53Å; S90-G159 VanDerWaalsContact CA-O 3.32Å; S90-G159 WeakPolarHBondContact CA-O 3.43Å; R91-G159 PolarHBondContact N-O 2.79Å; F155-G159 WeakPolarHBondContact CD1-O 3.46Å; Y156-G159 PolarHBondContact O-N 2.79Å; F157-G159 PolarHBondContact O-N 3.1Å
160E97.8Very high97Very high112 Ų11258.9 Ų58.952%0.52329%0.288SS..  trans-72.5150.4176-69.3178.5162.300112.2F155 Y156 N158 A162F155-E160 CarbonylContact C-O 3.57Å; F155-E160 WeakPolarHBondContact CA-O 3.21Å; Y156-E160 HydrophobicContact CD2-CB 4.18Å; Y156-E160 PolarHBondContact N-O 2.71Å; N158-E160 WeakPolarHBondContact ND2-CG 3.43Å; N158-E160 PolarHBondContact ND2-OE2 3.09Å; N158-E160 WeakPolarHBondContact OD1-CB 3.2Å; N158-E160 PolarHBondContact OD1-N 2.85Å; E160-A162 PolarHBondContact O-N 2.84Å
161Y97.9Very high96.7Very high26 Ų2658.8 Ų58.810%0.10229%0.288CS..EExtended strand (participates in β ladder)trans-57.5126.7176.7179.3-110.4000112.1L84 R88 C89 F153 G163L84-Y161 HydrophobicContact CB-CE1 4.37Å; L84-Y161 HydrophobicContact CB-CE2 4.33Å; L84-Y161 WeakPolarHBondContact CB-OH 3.36Å; L84-Y161 HydrophobicContact CD1-CE2 4.3Å; L84-Y161 VanDerWaalsContact CD1-OH 3.31Å; L84-Y161 WeakPolarHBondContact CD1-OH 3.11Å; R88-Y161 HydrophobicContact CB-CD1 4.43Å; R88-Y161 HydrophobicContact CG-CD1 4.32Å; C89-Y161 WeakPolarHBondContact O-CB 3.46Å; F153-Y161 HydrophobicContact CD1-CD2 4.23Å; F153-Y161 AromaticContact CD1-CE2 3.93Å; F153-Y161 HydrophobicContact CD1-CE2 3.93Å; F153-Y161 HydrophobicContact CE1-CE2 4.22Å; Y161-G163 WeakPolarHBondContact CE2-O 3.23Å; Y161-G163 VanDerWaalsContact OH-CA 3.27Å; Y161-G163 WeakPolarHBondContact OH-CA 3.32Å
162A97.8Very high96.3Very high33 Ų3362.6 Ų62.627%0.27331%0.305SS..EExtended strand (participates in β ladder)trans-122.411.7-179.600000113.4K154 Y156 E160K154-A162 HydrophobicContact CB-CB 4.21Å; K154-A162 WeakPolarHBondContact O-CA 3.27Å; K154-A162 PolarHBondContact O-N 3.34Å; Y156-A162 HydrophobicContact CD1-CB 3.96Å; Y156-A162 HydrophobicContact CD2-CB 3.74Å; Y156-A162 HydrophobicContact CE1-CB 3.91Å; Y156-A162 HydrophobicContact CE2-CB 3.68Å; Y156-A162 HydrophobicContact CG-CB 3.87Å; E160-A162 PolarHBondContact O-N 2.84Å
163G97.4Very high95.8Very high16 Ų1661.5 Ų61.517%0.16531%0.313CS..EExtended strand (participates in β ladder)trans113.3-160.5-176.100000113.1K154 Y161K154-G163 PolarHBondContact N-O 2.86Å; Y161-G163 WeakPolarHBondContact CE2-O 3.23Å; Y161-G163 VanDerWaalsContact OH-CA 3.27Å; Y161-G163 WeakPolarHBondContact OH-CA 3.32Å
164F97.5Very high95.5Very high5 Ų561.8 Ų61.82%0.02232%0.323CS..EExtended strand (participates in β ladder)trans-137.2167.8171.967.6-80.4000110.6K77 L80 L84 F130 R152 K154 E166 A171K77-F164 HydrophobicContact CG-CZ 4.43Å; L80-F164 HydrophobicContact CD2-CD2 4.12Å; L80-F164 HydrophobicContact CD2-CE1 4.49Å; L80-F164 HydrophobicContact CD2-CE2 3.72Å; L80-F164 HydrophobicContact CD2-CZ 3.93Å; L80-F164 HydrophobicContact CG-CE1 4.42Å; L80-F164 HydrophobicContact CG-CE2 4.48Å; L80-F164 HydrophobicContact CG-CZ 4.22Å; L84-F164 HydrophobicContact CD1-CB 4.19Å; L84-F164 HydrophobicContact CD1-CD1 3.51Å; L84-F164 HydrophobicContact CD1-CE1 4.13Å; L84-F164 HydrophobicContact CD1-CG 4.03Å; F130-F164 HydrophobicContact CE1-CB 4.43Å; R152-F164 CarbonylContact O-C 3.58Å; R152-F164 WeakPolarHBondContact O-CA 3.32Å; R152-F164 VanDerWaalsContact O-CB 3.25Å; R152-F164 WeakPolarHBondContact O-CB 3.5Å; K154-F164 WeakPolarHBondContact CD-O 2.98Å; K154-F164 VanDerWaalsContact CE-O 3.26Å; K154-F164 WeakPolarHBondContact CE-O 3.26Å; K154-F164 PolarHBondContact NZ-O 3.13Å; F164-E166 HydrophobicContact CD2-CG 4.31Å; F164-E166 HydrophobicContact CE1-CG 4.43Å; F164-E166 HydrophobicContact CE2-CG 3.86Å; F164-E166 HydrophobicContact CZ-CG 3.93Å; F164-E166 PolarHBondContact O-N 2.89Å; F164-A171 HydrophobicContact CE2-CB 3.91Å
165D97.3Very high95.4Very high29 Ų2957.4 Ų57.416%0.15531%0.305CS..  trans-77.798.2174.4-175.110.9000111.1R152 T167 Q168R152-D165 HydrophobicContact CB-CB 4.02Å; R152-D165 PolarHBondContact O-N 3.32Å; D165-T167 VanDerWaalsContact CG-OG1 3.31Å; D165-T167 PolarHBondContact O-N 2.89Å; D165-T167 WeakPolarHBondContact OD1-CB 3.31Å; D165-T167 PolarHBondContact OD1-N 3.06Å; D165-T167 PolarHBondContact OD1-OG1 2.92Å; D165-T167 PolarHBondContact OD2-OG1 3.28Å; D165-Q168 HydrophobicContact CB-CG 4.01Å; D165-Q168 PolarHBondContact O-N 2.94Å; D165-Q168 PolarHBondContact OD2-NE2 3.27Å
166E95Very high95.4Very high90 Ų9056.1 Ų56.142%0.42130%0.299SS..THydrogen-bonded Turntrans-70.6-8.4178.2-67.1-177.8-142.800114.3K77 F164K77-E166 WeakPolarHBondContact CE-OE2 3.4Å; K77-E166 IonicContact NZ-OE2 2.75Å; K77-E166 PolarHBondContact NZ-OE2 3.35Å; F164-E166 HydrophobicContact CD2-CG 4.31Å; F164-E166 HydrophobicContact CE1-CG 4.43Å; F164-E166 HydrophobicContact CE2-CG 3.86Å; F164-E166 HydrophobicContact CZ-CG 3.93Å; F164-E166 PolarHBondContact O-N 2.89Å
167T95.5Very high95.4Very high116 Ų11649.9 Ų49.971%0.71228%0.278SS*.THydrogen-bonded Turntrans-85.9-10.9178.170.90000112.8D165D165-T167 VanDerWaalsContact CG-OG1 3.31Å; D165-T167 PolarHBondContact O-N 2.89Å; D165-T167 WeakPolarHBondContact OD1-CB 3.31Å; D165-T167 PolarHBondContact OD1-N 3.06Å; D165-T167 PolarHBondContact OD1-OG1 2.92Å; D165-T167 PolarHBondContact OD2-OG1 3.28Å
168Q95.8Very high95.5Very high35 Ų3544.3 Ų44.316%0.16425%0.253CS..SBendtrans-64.9133.3175.7-65.1-60.1-48.700109.8R152 D165 T170 A171R152-Q168 HydrophobicContact CG-CG 4.43Å; D165-Q168 HydrophobicContact CB-CG 4.01Å; D165-Q168 PolarHBondContact O-N 2.94Å; D165-Q168 PolarHBondContact OD2-NE2 3.27Å; Q168-T170 PolarHBondContact O-N 3.44Å; Q168-T170 VanDerWaalsContact O-N 3.13Å; Q168-A171 WeakPolarHBondContact O-CB 3.42Å; Q168-A171 PolarHBondContact O-N 3.05Å
169P95.1Very high95.6Very high29 Ų2939.3 Ų39.319%0.18823%0.226CC..G310 helixtrans-54.6-36.3176.7-26.734.2000112.6A171 E172 G175 K178 V179 M182P169-A171 PolarHBondContact O-N 3.24Å; P169-A171 VanDerWaalsContact O-N 3.12Å; P169-E172 PolarHBondContact O-N 3.28Å; P169-E172 VanDerWaalsContact O-N 3.14Å; P169-G175 WeakPolarHBondContact O-CA 3.4Å; P169-K178 HydrophobicContact CB-CB 4.18Å; P169-V179 HydrophobicContact CB-CG2 3.88Å; P169-V179 HydrophobicContact CG-CG2 4.29Å; P169-M182 HydrophobicContact CG-SD 4.22Å
170T94.4Very high95.7Very high6 Ų638.7 Ų38.74%0.03722%0.22CC..G310 helixtrans-66.5-6.517852.50000114.6F76 I126 S127 A150 N151 Q168 E172 V179F76-T170 VanDerWaalsContact CE1-O 3.27Å; F76-T170 WeakPolarHBondContact CE1-O 3.1Å; I126-T170 HydrophobicContact CG2-CG2 4.13Å; S127-T170 WeakPolarHBondContact O-CB 3.46Å; S127-T170 WeakPolarHBondContact O-CG2 3.46Å; A150-T170 VanDerWaalsContact C-OG1 3.24Å; N151-T170 PolarHBondContact N-OG1 2.99Å; N151-T170 PolarHBondContact ND2-O 3.27Å; N151-T170 PolarHBondContact OD1-O 3.42Å; N151-T170 PolarHBondContact OD1-OG1 3.12Å; Q168-T170 PolarHBondContact O-N 3.44Å; Q168-T170 VanDerWaalsContact O-N 3.13Å; T170-E172 VanDerWaalsContact C-N 3.33Å; T170-V179 HydrophobicContact CG2-CG2 4.34Å
171A91.8Very high95.7Very high0 Ų036.2 Ų36.20%022%0.215CC..G310 helixtrans-84.2-11.2174.500000112.4K77 N151 F164 Q168 P169K77-A171 WeakPolarHBondContact CA-O 3.43Å; K77-A171 VanDerWaalsContact CB-O 3.27Å; K77-A171 WeakPolarHBondContact CB-O 3.32Å; N151-A171 VanDerWaalsContact OD1-CA 3.3Å; N151-A171 WeakPolarHBondContact OD1-CA 3.44Å; N151-A171 PolarHBondContact OD1-N 3.21Å; F164-A171 HydrophobicContact CE2-CB 3.91Å; Q168-A171 WeakPolarHBondContact O-CB 3.42Å; Q168-A171 PolarHBondContact O-N 3.05Å; P169-A171 PolarHBondContact O-N 3.24Å; P169-A171 VanDerWaalsContact O-N 3.12Å
172E89.8Confident95.7Very high79 Ų7939 Ų3937%0.36923%0.23SC..SBendtrans-115.3157.1-173.9-60.4-173.3161.200112.4P169 T170 G174 G175 K178P169-E172 PolarHBondContact O-N 3.28Å; P169-E172 VanDerWaalsContact O-N 3.14Å; T170-E172 VanDerWaalsContact C-N 3.33Å; E172-G174 PolarHBondContact O-N 2.6Å; E172-G175 PolarHBondContact O-N 3.25Å; E172-K178 IonicContact OE2-NZ 3.96Å; E172-K178 PolarHBondContact OE2-NZ 3.36Å
173S86.3Confident95.7Very high76 Ų7637.4 Ų37.453%0.53122%0.217SC..THydrogen-bonded Turntrans-58.6136.9166.8-63.70000110.1G175S173-G175 PolarHBondContact O-N 3.4Å
174G92.1Very high95.8Very high33 Ų3339.1 Ų39.134%0.3422%0.22SC..THydrogen-bonded Turntrans72.38.5-174.100000114.7E172 K176 G177 K178E172-G174 PolarHBondContact O-N 2.6Å; G174-K176 VanDerWaalsContact C-N 3.31Å; G174-K176 PolarHBondContact O-N 2.81Å; G174-G177 PolarHBondContact O-N 2.93Å; G174-G177 VanDerWaalsContact O-N 3.15Å; G174-K178 PolarHBondContact O-N 3.44Å; G174-K178 VanDerWaalsContact O-N 3.16Å
175G95.8Very high95.8Very high3 Ų347 Ų473%0.03126%0.257CS..Hα-helixtrans-55-40.4-178.700000114.8P169 E172 S173 G177 K178 V179P169-G175 WeakPolarHBondContact O-CA 3.4Å; E172-G175 PolarHBondContact O-N 3.25Å; S173-G175 PolarHBondContact O-N 3.4Å; G175-G177 VanDerWaalsContact C-N 3.35Å; G175-G177 PolarHBondContact O-N 2.86Å; G175-K178 WeakPolarHBondContact O-CB 3.43Å; G175-K178 PolarHBondContact O-N 2.92Å; G175-V179 WeakPolarHBondContact O-CG2 3.47Å; G175-V179 PolarHBondContact O-N 3.19Å
176K98Very high95.9Very high17 Ų1751.1 Ų51.17%0.07428%0.275CS..Hα-helixtrans-62-42.6178.2-63.1-172.6172.4174.80111.6D38 I126 G174 K178 V179 I180 M194 D201 A204D38-K176 IonicContact OD1-NZ 2.67Å; D38-K176 PolarHBondContact OD1-NZ 3.38Å; D38-K176 IonicContact OD2-NZ 3.29Å; D38-K176 PolarHBondContact OD2-NZ 2.78Å; I126-K176 HydrophobicContact CG2-CB 4.14Å; I126-K176 HydrophobicContact CG2-CG 3.84Å; I126-K176 WeakPolarHBondContact O-CE 3.28Å; G174-K176 VanDerWaalsContact C-N 3.31Å; G174-K176 PolarHBondContact O-N 2.81Å; K176-K178 PolarHBondContact O-N 3.03Å; K176-V179 PolarHBondContact O-N 3.24Å; K176-I180 WeakPolarHBondContact O-CG1 3.46Å; K176-I180 PolarHBondContact O-N 3.16Å; K176-M194 HydrophobicContact CD-CE 4.03Å; K176-D201 WeakPolarHBondContact CD-OD1 3.49Å; K176-D201 WeakPolarHBondContact CE-OD1 3.13Å; K176-D201 VanDerWaalsContact NZ-CG 3.28Å; K176-D201 IonicContact NZ-OD1 3.23Å; K176-D201 PolarHBondContact NZ-OD1 3.41Å; K176-D201 IonicContact NZ-OD2 3.98Å; K176-D201 PolarHBondContact NZ-OD2 3.32Å; K176-A204 HydrophobicContact CB-CB 3.97Å
177G98.1Very high96Very high9 Ų950.8 Ų50.89%0.09327%0.271CS..Hα-helixtrans-60.8-43.3173.500000112.6G174 G175 V179 I180 S181 P207G174-G177 PolarHBondContact O-N 2.93Å; G174-G177 VanDerWaalsContact O-N 3.15Å; G175-G177 VanDerWaalsContact C-N 3.35Å; G175-G177 PolarHBondContact O-N 2.86Å; G177-V179 VanDerWaalsContact C-N 3.34Å; G177-V179 PolarHBondContact O-N 3.19Å; G177-I180 PolarHBondContact O-N 3.3Å; G177-S181 PolarHBondContact O-N 3.35Å; G177-P207 WeakPolarHBondContact O-CG 3.27Å
178K98.3Very high96.1Very high99 Ų9948 Ų4843%0.4326%0.264SS..Hα-helixtrans-58.9-43.9175.6-65.3-178.7-177.7-1740112.1P169 E172 G174 G175 K176 S181 M182P169-K178 HydrophobicContact CB-CB 4.18Å; E172-K178 IonicContact OE2-NZ 3.96Å; E172-K178 PolarHBondContact OE2-NZ 3.36Å; G174-K178 PolarHBondContact O-N 3.44Å; G174-K178 VanDerWaalsContact O-N 3.16Å; G175-K178 WeakPolarHBondContact O-CB 3.43Å; G175-K178 PolarHBondContact O-N 2.92Å; K176-K178 PolarHBondContact O-N 3.03Å; K178-S181 WeakPolarHBondContact O-CB 3.48Å; K178-S181 PolarHBondContact O-N 3.34Å; K178-M182 WeakPolarHBondContact O-CG 3.16Å; K178-M182 PolarHBondContact O-N 2.96Å
179V98.6Very high96.2Very high0 Ų047.4 Ų47.40%026%0.261CS..Hα-helixtrans-60.9-46.6175.9174.90000110.8I126 Y149 P169 T170 G175 K176 G177 S181 M182 L183I126-V179 HydrophobicContact CD1-CB 4.07Å; I126-V179 HydrophobicContact CD1-CG1 3.58Å; I126-V179 HydrophobicContact CG1-CG1 3.96Å; I126-V179 HydrophobicContact CG2-CB 4.08Å; I126-V179 HydrophobicContact CG2-CG1 4.16Å; I126-V179 HydrophobicContact CG2-CG2 4.13Å; Y149-V179 HydrophobicContact CD1-CG1 3.68Å; Y149-V179 HydrophobicContact CD1-CG2 4.13Å; Y149-V179 HydrophobicContact CD2-CG1 3.69Å; Y149-V179 HydrophobicContact CE1-CG1 4.09Å; Y149-V179 HydrophobicContact CE2-CG1 4.12Å; Y149-V179 HydrophobicContact CG-CG1 3.45Å; Y149-V179 VanDerWaalsContact CG-CG1 3.45Å; Y149-V179 HydrophobicContact CG-CG2 4.26Å; P169-V179 HydrophobicContact CB-CG2 3.88Å; P169-V179 HydrophobicContact CG-CG2 4.29Å; T170-V179 HydrophobicContact CG2-CG2 4.34Å; G175-V179 WeakPolarHBondContact O-CG2 3.47Å; G175-V179 PolarHBondContact O-N 3.19Å; K176-V179 PolarHBondContact O-N 3.24Å; G177-V179 VanDerWaalsContact C-N 3.34Å; G177-V179 PolarHBondContact O-N 3.19Å; V179-S181 VanDerWaalsContact C-N 3.33Å; V179-S181 PolarHBondContact O-N 3.49Å; V179-M182 WeakPolarHBondContact O-CB 3.4Å; V179-M182 PolarHBondContact O-N 2.67Å; V179-M182 VanDerWaalsContact O-N 3.15Å; V179-L183 HydrophobicContact CG1-CD1 4.13Å; V179-L183 HydrophobicContact CG1-CG 4.31Å; V179-L183 WeakPolarHBondContact O-CG 3.49Å; V179-L183 PolarHBondContact O-N 2.9Å
180I98.8Very high96.3Very high0 Ų053.2 Ų53.20%029%0.286CS..Hα-helixtrans-61.2-41.6178.4-66.7177.2000111.4C36 I126 K176 G177 M182 L183 K184 V192 M194 A204 P207 A208C36-I180 HydrophobicContact CB-CD1 4.49Å; I126-I180 HydrophobicContact CD1-CD1 4.45Å; I126-I180 HydrophobicContact CD1-CG1 3.76Å; K176-I180 WeakPolarHBondContact O-CG1 3.46Å; K176-I180 PolarHBondContact O-N 3.16Å; G177-I180 PolarHBondContact O-N 3.3Å; I180-M182 PolarHBondContact O-N 3.15Å; I180-L183 PolarHBondContact O-N 3.38Å; I180-K184 HydrophobicContact CG2-CD 4.24Å; I180-K184 HydrophobicContact CG2-CG 4.49Å; I180-K184 WeakPolarHBondContact O-CG 3.07Å; I180-K184 PolarHBondContact O-N 2.67Å; I180-V192 HydrophobicContact CG2-CB 4.2Å; I180-V192 HydrophobicContact CG2-CG1 3.91Å; I180-M194 HydrophobicContact CD1-CB 4.05Å; I180-M194 HydrophobicContact CD1-CG 4.28Å; I180-M194 HydrophobicContact CD1-SD 4.03Å; I180-A204 HydrophobicContact CD1-CB 3.93Å; I180-P207 HydrophobicContact CB-CG 4.03Å; I180-P207 HydrophobicContact CG2-CG 3.93Å; I180-A208 HydrophobicContact CD1-CB 3.98Å; I180-A208 HydrophobicContact CG2-CB 4.35Å
181S98.6Very high96.5Very high59 Ų5953.6 Ų53.641%0.41329%0.289SS..Hα-helixtrans-56.6-47.6172.9-79.70000112.1G177 K178 V179 L183 K184 E185 P207G177-S181 PolarHBondContact O-N 3.35Å; K178-S181 WeakPolarHBondContact O-CB 3.48Å; K178-S181 PolarHBondContact O-N 3.34Å; V179-S181 VanDerWaalsContact C-N 3.33Å; V179-S181 PolarHBondContact O-N 3.49Å; S181-L183 VanDerWaalsContact C-N 3.33Å; S181-L183 PolarHBondContact O-N 3.47Å; S181-K184 PolarHBondContact O-N 3.18Å; S181-E185 PolarHBondContact O-N 2.94Å; S181-P207 WeakPolarHBondContact OG-CG 3.48Å
182M98.3Very high96.9Very high84 Ų8453.6 Ų53.641%0.41429%0.289SS..Hα-helixtrans-60.9-41.4177.4-67.8169.962.200111.9P169 K178 V179 I180 E185 Q186P169-M182 HydrophobicContact CG-SD 4.22Å; K178-M182 WeakPolarHBondContact O-CG 3.16Å; K178-M182 PolarHBondContact O-N 2.96Å; V179-M182 WeakPolarHBondContact O-CB 3.4Å; V179-M182 PolarHBondContact O-N 2.67Å; V179-M182 VanDerWaalsContact O-N 3.15Å; I180-M182 PolarHBondContact O-N 3.15Å; M182-E185 PolarHBondContact O-N 3.41Å; M182-Q186 WeakPolarHBondContact O-CB 3.25Å; M182-Q186 PolarHBondContact O-N 3.38Å
183L98.4Very high97.3Very high0 Ų049.9 Ų49.90%027%0.271CS..Hα-helixtrans-63.2-42.7177.9-70177.3000111.9F124 I126 Y149 V179 I180 S181 E185 Q186 Y187 F189F124-L183 HydrophobicContact CB-CD1 4.26Å; F124-L183 HydrophobicContact CD1-CD1 3.82Å; F124-L183 HydrophobicContact CD1-CD2 3.81Å; F124-L183 HydrophobicContact CD1-CG 4.5Å; F124-L183 HydrophobicContact CD2-CD1 4.02Å; F124-L183 HydrophobicContact CE1-CD1 4.14Å; F124-L183 HydrophobicContact CE1-CD2 3.38Å; F124-L183 HydrophobicContact CE1-CG 4.4Å; F124-L183 HydrophobicContact CE2-CD1 4.31Å; F124-L183 HydrophobicContact CE2-CD2 4.44Å; F124-L183 HydrophobicContact CG-CD1 3.76Å; F124-L183 HydrophobicContact CZ-CD1 4.38Å; F124-L183 HydrophobicContact CZ-CD2 3.75Å; I126-L183 HydrophobicContact CD1-CD1 4.42Å; Y149-L183 HydrophobicContact CE2-CD1 4.45Å; Y149-L183 HydrophobicContact CE2-CD2 3.81Å; Y149-L183 HydrophobicContact CE2-CG 4.43Å; Y149-L183 VanDerWaalsContact OH-CD2 3.29Å; Y149-L183 WeakPolarHBondContact OH-CD2 3.33Å; V179-L183 HydrophobicContact CG1-CD1 4.13Å; V179-L183 HydrophobicContact CG1-CG 4.31Å; V179-L183 WeakPolarHBondContact O-CG 3.49Å; V179-L183 PolarHBondContact O-N 2.9Å; I180-L183 PolarHBondContact O-N 3.38Å; S181-L183 VanDerWaalsContact C-N 3.33Å; S181-L183 PolarHBondContact O-N 3.47Å; L183-E185 VanDerWaalsContact C-N 3.34Å; L183-Q186 PolarHBondContact O-N 3.1Å; L183-Y187 HydrophobicContact CD2-CD2 3.96Å; L183-Y187 HydrophobicContact CD2-CE2 3.64Å; L183-Y187 WeakPolarHBondContact O-CB 3.37Å; L183-Y187 WeakPolarHBondContact O-CD2 3.22Å; L183-Y187 PolarHBondContact O-N 3.48Å; L183-F189 HydrophobicContact CB-CD2 4.29Å; L183-F189 HydrophobicContact CB-CE2 4.37Å
184K98.6Very high97.9Very high52 Ų5246.2 Ų46.223%0.22625%0.246CC..Hα-helixtrans-63-41.6176.8-68.7-17872.7148.10111.7I180 S181 G188 F189 V192 P207 N209I180-K184 HydrophobicContact CG2-CD 4.24Å; I180-K184 HydrophobicContact CG2-CG 4.49Å; I180-K184 WeakPolarHBondContact O-CG 3.07Å; I180-K184 PolarHBondContact O-N 2.67Å; S181-K184 PolarHBondContact O-N 3.18Å; K184-G188 WeakPolarHBondContact O-CA 3.5Å; K184-G188 PolarHBondContact O-N 2.85Å; K184-F189 WeakPolarHBondContact CE-O 3.21Å; K184-F189 HydrophobicContact CG-CB 4.36Å; K184-F189 PolarHBondContact O-N 3.23Å; K184-V192 HydrophobicContact CD-CG2 4.01Å; K184-V192 HydrophobicContact CG-CG2 3.59Å; K184-P207 PolarHBondContact NZ-O 3.28Å; K184-N209 PolarHBondContact NZ-OD1 3.32Å
185E98.3Very high98.2Very high171 Ų17144.7 Ų44.780%0.79923%0.23SC*.Hα-helixtrans-67-47.7176.5-176.3176.2-166.600112.1S181 M182 L183S181-E185 PolarHBondContact O-N 2.94Å; M182-E185 PolarHBondContact O-N 3.41Å; L183-E185 VanDerWaalsContact C-N 3.34Å
186Q97.8Very high98.4Very high116 Ų11644.5 Ų44.554%0.54223%0.228SC..Hα-helixtrans-68.5-41.2-174.9179.7178.5-16.200113M182 L183M182-Q186 WeakPolarHBondContact O-CB 3.25Å; M182-Q186 PolarHBondContact O-N 3.38Å; L183-Q186 PolarHBondContact O-N 3.1Å
187Y97.8Very high98.4Very high83 Ų8343.8 Ų43.833%0.32523%0.225SC..Hα-helixtrans-107.1-5.7-173.2-63.7-80.6000113.6F124 L183 F189F124-Y187 HydrophobicContact CE1-CE2 4.2Å; F124-Y187 HydrophobicContact CZ-CD2 4.3Å; F124-Y187 AromaticContact CZ-CE2 3.98Å; F124-Y187 HydrophobicContact CZ-CE2 3.98Å; L183-Y187 HydrophobicContact CD2-CD2 3.96Å; L183-Y187 HydrophobicContact CD2-CE2 3.64Å; L183-Y187 WeakPolarHBondContact O-CB 3.37Å; L183-Y187 WeakPolarHBondContact O-CD2 3.22Å; L183-Y187 PolarHBondContact O-N 3.48Å; Y187-F189 VanDerWaalsContact C-N 3.29Å; Y187-F189 VanDerWaalsContact CB-CE2 3.42Å; Y187-F189 HydrophobicContact CD1-CZ 4.18Å; Y187-F189 HydrophobicContact CD2-CD2 4.42Å; Y187-F189 AromaticContact CD2-CE2 3.61Å; Y187-F189 HydrophobicContact CD2-CE2 3.61Å; Y187-F189 AromaticContact CD2-CZ 3.94Å; Y187-F189 HydrophobicContact CD2-CZ 3.94Å; Y187-F189 HydrophobicContact CG-CD2 4.45Å; Y187-F189 HydrophobicContact CG-CE1 4.28Å; Y187-F189 AromaticContact CG-CE2 3.67Å; Y187-F189 HydrophobicContact CG-CE2 3.67Å; Y187-F189 AromaticContact CG-CZ 3.56Å; Y187-F189 HydrophobicContact CG-CZ 3.56Å; Y187-F189 PolarHBondContact O-N 2.96Å
188G97.9Very high98.2Very high56 Ų5643.6 Ų43.658%0.57722%0.223SC*.  trans6923.6-17700000113.9K184 E190K184-G188 WeakPolarHBondContact O-CA 3.5Å; K184-G188 PolarHBondContact O-N 2.85Å; G188-E190 PolarHBondContact O-N 3Å
189F98.4Very high97.9Very high23 Ų2340.8 Ų40.810%0.10122%0.218CC..  trans-63.6124.8-179.2-60.6-43.1000111.4D33 A34 K122 F124 L183 K184 Y187 V192D33-F189 HydrophobicContact CB-CB 4.19Å; D33-F189 HydrophobicContact CB-CD1 3.6Å; D33-F189 HydrophobicContact CB-CE1 4.36Å; D33-F189 HydrophobicContact CB-CG 4.2Å; A34-F189 HydrophobicContact CB-CD1 4.35Å; A34-F189 HydrophobicContact CB-CD2 3.76Å; A34-F189 HydrophobicContact CB-CE1 4.31Å; A34-F189 HydrophobicContact CB-CE2 3.71Å; A34-F189 HydrophobicContact CB-CG 4.09Å; A34-F189 HydrophobicContact CB-CZ 4Å; K122-F189 HydrophobicContact CB-CE1 4.37Å; K122-F189 HydrophobicContact CB-CZ 3.92Å; K122-F189 HydrophobicContact CG-CE1 3.95Å; K122-F189 HydrophobicContact CG-CZ 3.8Å; F124-F189 AromaticContact CE2-CE2 3.61Å; F124-F189 HydrophobicContact CE2-CE2 3.61Å; F124-F189 AromaticContact CE2-CZ 3.91Å; F124-F189 HydrophobicContact CE2-CZ 3.91Å; F124-F189 AromaticContact CZ-CE2 3.84Å; F124-F189 HydrophobicContact CZ-CE2 3.84Å; F124-F189 HydrophobicContact CZ-CZ 4.09Å; L183-F189 HydrophobicContact CB-CD2 4.29Å; L183-F189 HydrophobicContact CB-CE2 4.37Å; K184-F189 WeakPolarHBondContact CE-O 3.21Å; K184-F189 HydrophobicContact CG-CB 4.36Å; K184-F189 PolarHBondContact O-N 3.23Å; Y187-F189 VanDerWaalsContact C-N 3.29Å; Y187-F189 VanDerWaalsContact CB-CE2 3.42Å; Y187-F189 HydrophobicContact CD1-CZ 4.18Å; Y187-F189 HydrophobicContact CD2-CD2 4.42Å; Y187-F189 AromaticContact CD2-CE2 3.61Å; Y187-F189 HydrophobicContact CD2-CE2 3.61Å; Y187-F189 AromaticContact CD2-CZ 3.94Å; Y187-F189 HydrophobicContact CD2-CZ 3.94Å; Y187-F189 HydrophobicContact CG-CD2 4.45Å; Y187-F189 HydrophobicContact CG-CE1 4.28Å; Y187-F189 AromaticContact CG-CE2 3.67Å; Y187-F189 HydrophobicContact CG-CE2 3.67Å; Y187-F189 AromaticContact CG-CZ 3.56Å; Y187-F189 HydrophobicContact CG-CZ 3.56Å; Y187-F189 PolarHBondContact O-N 2.96Å; F189-V192 HydrophobicContact CB-CG2 3.63Å; F189-V192 HydrophobicContact CD2-CG2 4.15Å; F189-V192 HydrophobicContact CG-CG2 4.27Å
190E97.3Very high97.7Very high152 Ų15243.4 Ų43.471%0.7123%0.234SC*.SBendtrans-84.2-40.1175.7-63-170.317000110.6D33 G188 N209D33-E190 PolarHBondContact OD2-N 3.49Å; G188-E190 PolarHBondContact O-N 3Å; E190-N209 VanDerWaalsContact O-CG 3.28Å; E190-N209 PolarHBondContact O-ND2 2.94Å; E190-N209 PolarHBondContact O-OD1 3.28Å; E190-N209 VanDerWaalsContact O-OD1 3.07Å
191T98.3Very high97.6Very high14 Ų1443.4 Ų43.49%0.08623%0.234CC..  trans-120.2105.4-178.1-55.30000111.7L28 A32 D33 A34 N209L28-T191 HydrophobicContact CB-CG2 4.26Å; L28-T191 HydrophobicContact CD2-CG2 3.81Å; A32-T191 HydrophobicContact CB-CG2 4.28Å; D33-T191 PolarHBondContact N-O 3.3Å; D33-T191 PolarHBondContact OD2-N 2.67Å; A34-T191 PolarHBondContact N-O 3.41Å; T191-N209 WeakPolarHBondContact CA-OD1 3.49Å; T191-N209 HydrophobicContact CG2-CB 4.27Å
192V98.8Very high97.5Very high0 Ų041.3 Ų41.30%022%0.219CC..EExtended strand (participates in β ladder)trans-112.2130.1170.8-175.30000109.9A34 I180 K184 F189 N209A34-V192 HydrophobicContact CB-CG1 4.48Å; A34-V192 HydrophobicContact CB-CG2 4.33Å; A34-V192 WeakPolarHBondContact O-CA 3.42Å; I180-V192 HydrophobicContact CG2-CB 4.2Å; I180-V192 HydrophobicContact CG2-CG1 3.91Å; K184-V192 HydrophobicContact CD-CG2 4.01Å; K184-V192 HydrophobicContact CG-CG2 3.59Å; F189-V192 HydrophobicContact CB-CG2 3.63Å; F189-V192 HydrophobicContact CD2-CG2 4.15Å; F189-V192 HydrophobicContact CG-CG2 4.27Å; V192-N209 PolarHBondContact N-OD1 3.41Å; V192-N209 WeakPolarHBondContact O-CB 3.39Å; V192-N209 PolarHBondContact O-N 3.42Å
193V98.8Very high97.3Very high0 Ų042.5 Ų42.50%022%0.223CC..EExtended strand (participates in β ladder)trans-109.6130.3174.6179.10000109.9F29 A32 A34 V35 C36 I195 A210 I212F29-V193 HydrophobicContact CD2-CG1 4.35Å; A32-V193 HydrophobicContact CB-CG2 3.95Å; A34-V193 PolarHBondContact O-N 3.42Å; V35-V193 CarbonylContact C-O 3.12Å; V35-V193 WeakPolarHBondContact CA-O 3.17Å; V35-V193 HydrophobicContact CG2-CB 4.46Å; C36-V193 PolarHBondContact N-O 3.12Å; V193-I195 HydrophobicContact CG1-CG1 4.17Å; V193-A210 WeakPolarHBondContact CA-O 3.41Å; V193-A210 HydrophobicContact CG1-CB 4.4Å; V193-A210 HydrophobicContact CG2-CB 4.14Å; V193-I212 HydrophobicContact CG1-CD1 3.72Å; V193-I212 HydrophobicContact CG1-CG1 3.95Å
194M98.8Very high97.3Very high0 Ų042.6 Ų42.60%022%0.224CC..EExtended strand (participates in β ladder)trans-98.3134.5172.8-175.761.9-167.100110.2C36 D38 K176 I180 D201 A204 A208 A210 F211 I212C36-M194 HydrophobicContact CB-SD 3.61Å; C36-M194 CarbonylContact O-C 3.58Å; C36-M194 WeakPolarHBondContact O-CA 3.36Å; C36-M194 VanDerWaalsContact O-SD 3.41Å; D38-M194 HydrophobicContact CB-CE 4.22Å; K176-M194 HydrophobicContact CD-CE 4.03Å; I180-M194 HydrophobicContact CD1-CB 4.05Å; I180-M194 HydrophobicContact CD1-CG 4.28Å; I180-M194 HydrophobicContact CD1-SD 4.03Å; M194-D201 HydrophobicContact CE-CB 3.95Å; M194-D201 WeakPolarHBondContact CE-OD1 3.27Å; M194-D201 HydrophobicContact CG-CB 4.37Å; M194-A204 HydrophobicContact CG-CB 4.29Å; M194-A208 HydrophobicContact CB-CB 4.07Å; M194-A210 PolarHBondContact N-O 3.26Å; M194-F211 HydrophobicContact CB-CD2 4.19Å; M194-F211 HydrophobicContact CG-CD2 4.13Å; M194-F211 CarbonylContact O-C 3.6Å; M194-F211 WeakPolarHBondContact O-CA 3.22Å; M194-F211 WeakPolarHBondContact O-CD2 3.46Å; M194-I212 PolarHBondContact O-N 2.95Å
195I98.9Very high97.2Very high0 Ų041.9 Ų41.90%023%0.225CC..EExtended strand (participates in β ladder)trans-127124.6177.4-49.1-170000108.9F29 V35 C36 F37 D38 V193 I212 F214 F234 L237F29-I195 HydrophobicContact CE2-CD1 4.06Å; V35-I195 HydrophobicContact CG1-CD1 3.64Å; V35-I195 HydrophobicContact CG1-CG1 3.94Å; C36-I195 PolarHBondContact O-N 3.33Å; F37-I195 WeakPolarHBondContact CA-O 3.37Å; F37-I195 HydrophobicContact CD1-CB 3.84Å; F37-I195 HydrophobicContact CD1-CD1 4.36Å; F37-I195 HydrophobicContact CD1-CG1 4.49Å; F37-I195 HydrophobicContact CD1-CG2 4.13Å; F37-I195 HydrophobicContact CE1-CB 4.02Å; F37-I195 HydrophobicContact CE1-CD1 3.69Å; F37-I195 HydrophobicContact CE1-CG1 4.28Å; F37-I195 HydrophobicContact CE1-CG2 4.14Å; F37-I195 HydrophobicContact CZ-CD1 3.96Å; D38-I195 PolarHBondContact N-O 2.98Å; V193-I195 HydrophobicContact CG1-CG1 4.17Å; I195-I212 WeakPolarHBondContact CA-O 3.31Å; I195-I212 HydrophobicContact CD1-CD1 3.96Å; I195-I212 HydrophobicContact CG1-CB 4.13Å; I195-I212 HydrophobicContact CG1-CD1 4.2Å; I195-I212 HydrophobicContact CG2-CB 4.39Å; I195-F214 HydrophobicContact CG2-CB 4.4Å; I195-F234 HydrophobicContact CG2-CE1 4.49Å; I195-L237 HydrophobicContact CD1-CD1 3.73Å; I195-L237 HydrophobicContact CG2-CD1 4.49Å
196G98.6Very high97.1Very high0 Ų038.3 Ų38.30%022%0.216CC..EExtended strand (participates in β ladder)trans-173.2167.1-179.200000113T42 F211 I212 G213 F214T42-G196 WeakPolarHBondContact OG1-CA 3.39Å; G196-F211 WeakPolarHBondContact O-CZ 3.46Å; G196-I212 PolarHBondContact N-O 3.36Å; G196-G213 WeakPolarHBondContact O-CA 3.19Å; G196-F214 PolarHBondContact O-N 3.46Å
197D98.3Very high97.1Very high1 Ų134.4 Ų34.41%0.00520%0.201CC..SBendtrans-94.9-18.8-179.972.7-67.8000113.3S41 T42 F214 R220 V223S41-D197 WeakPolarHBondContact CB-OD1 3.5Å; S41-D197 WeakPolarHBondContact CB-OD2 3.46Å; T42-D197 PolarHBondContact OG1-N 3.41Å; T42-D197 PolarHBondContact OG1-OD1 3.37Å; T42-D197 VanDerWaalsContact OG1-OD1 3.08Å; D197-F214 VanDerWaalsContact CA-O 3.25Å; D197-F214 WeakPolarHBondContact CA-O 3.45Å; D197-F214 WeakPolarHBondContact CB-O 3.22Å; D197-R220 WeakPolarHBondContact O-CD 3.35Å; D197-R220 WeakPolarHBondContact O-CG 3.47Å; D197-R220 IonicContact OD2-CZ 3.76Å; D197-R220 IonicContact OD2-NE 2.88Å; D197-R220 PolarHBondContact OD2-NE 3.25Å; D197-R220 IonicContact OD2-NH2 3.28Å; D197-R220 PolarHBondContact OD2-NH2 2.93Å; D197-V223 WeakPolarHBondContact O-CG2 3.42Å
198G94.6Very high97.1Very high6 Ų630.4 Ų30.46%0.06219%0.186CC..SBendtrans-90.8161.4-168.600000116T200 D201 L202G198-T200 VanDerWaalsContact C-N 3.26Å; G198-T200 PolarHBondContact O-N 3.25Å; G198-D201 WeakPolarHBondContact CA-OD2 3.28Å; G198-D201 PolarHBondContact N-OD2 3.42Å; G198-D201 WeakPolarHBondContact O-CB 3.33Å; G198-D201 PolarHBondContact O-N 2.95Å; G198-L202 PolarHBondContact O-N 3.29Å
199A92.8Very high97.1Very high39 Ų3929 Ų2932%0.32217%0.165SC..Hα-helixtrans-64-33.5172.100000112D201 L202 E203A199-D201 PolarHBondContact O-N 3.22Å; A199-L202 PolarHBondContact O-N 3.45Å; A199-E203 WeakPolarHBondContact O-CB 3.24Å; A199-E203 VanDerWaalsContact O-CG 3.28Å; A199-E203 WeakPolarHBondContact O-CG 3.3Å; A199-E203 PolarHBondContact O-N 3.43Å
200T93.1Very high97.1Very high55 Ų5527.9 Ų27.934%0.33716%0.16SC..Hα-helixtrans-64.4-27.5177.251.80000113.3G198 A204G198-T200 VanDerWaalsContact C-N 3.26Å; G198-T200 PolarHBondContact O-N 3.25Å; T200-A204 PolarHBondContact O-N 3Å
201D97.2Very high97.2Very high0 Ų021.2 Ų21.20%013%0.129CC..Hα-helixtrans-79.3-43.9179.4-53.3-77.2000110.4D38 K176 M194 G198 A199 E203 A204 F211D38-D201 WeakPolarHBondContact CB-OD1 3.27Å; K176-D201 WeakPolarHBondContact CD-OD1 3.49Å; K176-D201 WeakPolarHBondContact CE-OD1 3.13Å; K176-D201 VanDerWaalsContact NZ-CG 3.28Å; K176-D201 IonicContact NZ-OD1 3.23Å; K176-D201 PolarHBondContact NZ-OD1 3.41Å; K176-D201 IonicContact NZ-OD2 3.98Å; K176-D201 PolarHBondContact NZ-OD2 3.32Å; M194-D201 HydrophobicContact CE-CB 3.95Å; M194-D201 WeakPolarHBondContact CE-OD1 3.27Å; M194-D201 HydrophobicContact CG-CB 4.37Å; G198-D201 WeakPolarHBondContact CA-OD2 3.28Å; G198-D201 PolarHBondContact N-OD2 3.42Å; G198-D201 WeakPolarHBondContact O-CB 3.33Å; G198-D201 PolarHBondContact O-N 2.95Å; A199-D201 PolarHBondContact O-N 3.22Å; D201-E203 VanDerWaalsContact C-N 3.31Å; D201-E203 PolarHBondContact O-N 2.93Å; D201-A204 WeakPolarHBondContact O-CB 3.43Å; D201-A204 PolarHBondContact O-N 3.29Å; D201-A204 VanDerWaalsContact O-N 3.1Å; D201-F211 HydrophobicContact CB-CD2 4.39Å; D201-F211 HydrophobicContact CB-CE2 3.52Å; D201-F211 HydrophobicContact CB-CZ 4.12Å; D201-F211 WeakPolarHBondContact O-CD2 3.49Å
202L96.1Very high97.2Very high16 Ų1620.6 Ų20.68%0.08412%0.124CC..Hα-helixtrans-59.6-43.3172.6-173.1148.4000111.2G198 A199 A204 C205 F211 V223 R226G198-L202 PolarHBondContact O-N 3.29Å; A199-L202 PolarHBondContact O-N 3.45Å; L202-A204 PolarHBondContact O-N 3.36Å; L202-C205 PolarHBondContact O-N 2.85Å; L202-F211 HydrophobicContact CB-CD1 3.98Å; L202-F211 HydrophobicContact CB-CE1 3.64Å; L202-F211 HydrophobicContact CB-CE2 4.47Å; L202-F211 HydrophobicContact CB-CZ 3.91Å; L202-F211 HydrophobicContact CD1-CD1 4.12Å; L202-F211 HydrophobicContact CD1-CE1 3.83Å; L202-F211 HydrophobicContact CG-CD1 3.91Å; L202-F211 HydrophobicContact CG-CE1 3.89Å; L202-V223 HydrophobicContact CD1-CG1 4.25Å; L202-R226 HydrophobicContact CD1-CB 3.54Å; L202-R226 VanDerWaalsContact CD2-CZ 3.45Å; L202-R226 VanDerWaalsContact CD2-NH2 3.3Å
203E95.1Very high97.2Very high109 Ų10920.6 Ų20.651%0.50912%0.124SC..THydrogen-bonded Turntrans-64.8-18176.5-76.3172.5-16800113.8A199 D201 C205A199-E203 WeakPolarHBondContact O-CB 3.24Å; A199-E203 VanDerWaalsContact O-CG 3.28Å; A199-E203 WeakPolarHBondContact O-CG 3.3Å; A199-E203 PolarHBondContact O-N 3.43Å; D201-E203 VanDerWaalsContact C-N 3.31Å; D201-E203 PolarHBondContact O-N 2.93Å; E203-C205 PolarHBondContact O-N 3.04Å
204A97.2Very high97.2Very high1 Ų120.6 Ų20.61%0.00813%0.125CC..THydrogen-bonded Turntrans-77.21.4176.100000113.1K176 I180 M194 T200 D201 L202 P206 P207 A208K176-A204 HydrophobicContact CB-CB 3.97Å; I180-A204 HydrophobicContact CD1-CB 3.93Å; M194-A204 HydrophobicContact CG-CB 4.29Å; T200-A204 PolarHBondContact O-N 3Å; D201-A204 WeakPolarHBondContact O-CB 3.43Å; D201-A204 PolarHBondContact O-N 3.29Å; D201-A204 VanDerWaalsContact O-N 3.1Å; L202-A204 PolarHBondContact O-N 3.36Å; A204-P206 VanDerWaalsContact C-C 3.47Å; A204-P206 CarbonylContact C-O 3.57Å; A204-P206 VanDerWaalsContact C-O 3.28Å; A204-P206 CarbonylContact O-C 3.56Å; A204-P207 VanDerWaalsContact O-CD 3.24Å; A204-P207 WeakPolarHBondContact O-CD 2.92Å; A204-P207 VanDerWaalsContact O-N 3.11Å; A204-A208 VanDerWaalsContact O-CB 3.28Å; A204-A208 WeakPolarHBondContact O-CB 3.29Å; A204-A208 PolarHBondContact O-N 3.43Å
205C96.9Very high97.2Very high38 Ų3820.9 Ų20.926%0.25713%0.128SC..THydrogen-bonded Turntrans-122.8102.5176-175.60000110.8L202 E203 A208 A210 F211L202-C205 PolarHBondContact O-N 2.85Å; E203-C205 PolarHBondContact O-N 3.04Å; C205-A208 HydrophobicContact CB-CB 3.97Å; C205-A208 PolarHBondContact SG-O 3.11Å; C205-A210 VanDerWaalsContact SG-C 3.6Å; C205-F211 HydrophobicContact CB-CB 3.67Å
206P96.6Very high97.1Very high95 Ų9522.6 Ų22.662%0.61715%0.145SC*.THydrogen-bonded Turncis-71160.1-0.730.7-36000113.5A204A204-P206 VanDerWaalsContact C-C 3.47Å; A204-P206 CarbonylContact C-O 3.57Å; A204-P206 VanDerWaalsContact C-O 3.28Å; A204-P206 CarbonylContact O-C 3.56Å
207P97.6Very high97.1Very high34 Ų3424.9 Ų24.922%0.22116%0.158CC..THydrogen-bonded Turncis-88.8-5.516.235.4-38.8000116.3G177 I180 S181 K184 A204G177-P207 WeakPolarHBondContact O-CG 3.27Å; I180-P207 HydrophobicContact CB-CG 4.03Å; I180-P207 HydrophobicContact CG2-CG 3.93Å; S181-P207 WeakPolarHBondContact OG-CG 3.48Å; K184-P207 PolarHBondContact NZ-O 3.28Å; A204-P207 VanDerWaalsContact O-CD 3.24Å; A204-P207 WeakPolarHBondContact O-CD 2.92Å; A204-P207 VanDerWaalsContact O-N 3.11Å
208A98.4Very high97Very high0 Ų027.5 Ų27.50%017%0.173CC..SBendtrans-56.3152166.700000110.2I180 M194 A204 C205I180-A208 HydrophobicContact CD1-CB 3.98Å; I180-A208 HydrophobicContact CG2-CB 4.35Å; M194-A208 HydrophobicContact CB-CB 4.07Å; A204-A208 VanDerWaalsContact O-CB 3.28Å; A204-A208 WeakPolarHBondContact O-CB 3.29Å; A204-A208 PolarHBondContact O-N 3.43Å; C205-A208 HydrophobicContact CB-CB 3.97Å; C205-A208 PolarHBondContact SG-O 3.11Å
209N98.3Very high97.1Very high26 Ų2631.3 Ų31.314%0.13920%0.195CC..SBendtrans-80.8-29.3178.4-6372.6000111.4L28 K184 E190 T191 V192L28-N209 HydrophobicContact CD1-CB 4.5Å; L28-N209 WeakPolarHBondContact CD1-O 3.47Å; L28-N209 HydrophobicContact CD2-CB 4.31Å; K184-N209 PolarHBondContact NZ-OD1 3.32Å; E190-N209 VanDerWaalsContact O-CG 3.28Å; E190-N209 PolarHBondContact O-ND2 2.94Å; E190-N209 PolarHBondContact O-OD1 3.28Å; E190-N209 VanDerWaalsContact O-OD1 3.07Å; T191-N209 WeakPolarHBondContact CA-OD1 3.49Å; T191-N209 HydrophobicContact CG2-CB 4.27Å; V192-N209 PolarHBondContact N-OD1 3.41Å; V192-N209 WeakPolarHBondContact O-CB 3.39Å; V192-N209 PolarHBondContact O-N 3.42Å
210A98.1Very high97.2Very high0 Ų033.9 Ų33.90%020%0.197CC..EExtended strand (participates in β ladder)trans-148.9151.6177.300000110.3T25 L28 V193 M194 C205T25-A210 HydrophobicContact CG2-CB 3.89Å; L28-A210 HydrophobicContact CB-CB 4.07Å; L28-A210 HydrophobicContact CD1-CB 3.77Å; V193-A210 WeakPolarHBondContact CA-O 3.41Å; V193-A210 HydrophobicContact CG1-CB 4.4Å; V193-A210 HydrophobicContact CG2-CB 4.14Å; M194-A210 PolarHBondContact N-O 3.26Å; C205-A210 VanDerWaalsContact SG-C 3.6Å
211F98.4Very high97.4Very high12 Ų1234.9 Ų34.95%0.05321%0.21CC..EExtended strand (participates in β ladder)trans-118.8134.9169.3173.3-110.9000109.6M194 G196 D201 L202 C205 V223 S227M194-F211 HydrophobicContact CB-CD2 4.19Å; M194-F211 HydrophobicContact CG-CD2 4.13Å; M194-F211 CarbonylContact O-C 3.6Å; M194-F211 WeakPolarHBondContact O-CA 3.22Å; M194-F211 WeakPolarHBondContact O-CD2 3.46Å; G196-F211 WeakPolarHBondContact O-CZ 3.46Å; D201-F211 HydrophobicContact CB-CD2 4.39Å; D201-F211 HydrophobicContact CB-CE2 3.52Å; D201-F211 HydrophobicContact CB-CZ 4.12Å; D201-F211 WeakPolarHBondContact O-CD2 3.49Å; L202-F211 HydrophobicContact CB-CD1 3.98Å; L202-F211 HydrophobicContact CB-CE1 3.64Å; L202-F211 HydrophobicContact CB-CE2 4.47Å; L202-F211 HydrophobicContact CB-CZ 3.91Å; L202-F211 HydrophobicContact CD1-CD1 4.12Å; L202-F211 HydrophobicContact CD1-CE1 3.83Å; L202-F211 HydrophobicContact CG-CD1 3.91Å; L202-F211 HydrophobicContact CG-CE1 3.89Å; C205-F211 HydrophobicContact CB-CB 3.67Å; F211-V223 HydrophobicContact CE1-CG1 3.7Å; F211-V223 HydrophobicContact CZ-CG1 3.77Å; F211-S227 VanDerWaalsContact CE1-OG 3.24Å; F211-S227 WeakPolarHBondContact CE1-OG 3.24Å
212I98.8Very high97.2Very high0 Ų041.2 Ų41.20%024%0.24CC..EExtended strand (participates in β ladder)trans-116.2115.2172.1-55.3171.9000107.4T25 F29 V193 M194 I195 G196 W229 V231 L237T25-I212 HydrophobicContact CG2-CG1 3.97Å; F29-I212 HydrophobicContact CB-CD1 4.11Å; F29-I212 HydrophobicContact CD2-CD1 3.84Å; F29-I212 HydrophobicContact CE2-CD1 4.45Å; F29-I212 HydrophobicContact CG-CD1 3.94Å; V193-I212 HydrophobicContact CG1-CD1 3.72Å; V193-I212 HydrophobicContact CG1-CG1 3.95Å; M194-I212 PolarHBondContact O-N 2.95Å; I195-I212 WeakPolarHBondContact CA-O 3.31Å; I195-I212 HydrophobicContact CD1-CD1 3.96Å; I195-I212 HydrophobicContact CG1-CB 4.13Å; I195-I212 HydrophobicContact CG1-CD1 4.2Å; I195-I212 HydrophobicContact CG2-CB 4.39Å; G196-I212 PolarHBondContact N-O 3.36Å; I212-W229 WeakPolarHBondContact CA-O 3.46Å; I212-W229 HydrophobicContact CD1-CE3 3.49Å; I212-W229 VanDerWaalsContact CD1-CE3 3.49Å; I212-W229 HydrophobicContact CD1-CH2 4.42Å; I212-W229 HydrophobicContact CD1-CZ3 3.42Å; I212-W229 VanDerWaalsContact CD1-CZ3 3.42Å; I212-W229 HydrophobicContact CG1-CD2 4.47Å; I212-W229 HydrophobicContact CG1-CE3 3.69Å; I212-W229 HydrophobicContact CG1-CZ3 4.17Å; I212-W229 HydrophobicContact CG2-CD2 4.19Å; I212-W229 HydrophobicContact CG2-CE3 4.13Å; I212-W229 HydrophobicContact CG2-CG 4.46Å; I212-V231 HydrophobicContact CG2-CG2 4.04Å; I212-L237 HydrophobicContact CD1-CD2 4.32Å; I212-L237 HydrophobicContact CG2-CD2 4.16Å
213G98.6Very high97.2Very high0 Ų040.6 Ų40.60%024%0.237CC..EExtended strand (participates in β ladder)trans-73.9133.5175.700000110.8G196 W229 Y230 V231G196-G213 WeakPolarHBondContact O-CA 3.19Å; G213-W229 PolarHBondContact N-O 3.22Å; G213-Y230 CarbonylContact O-C 3.49Å; G213-Y230 WeakPolarHBondContact O-CA 3.33Å; G213-V231 PolarHBondContact O-N 2.92Å
214F98.8Very high97.3Very high1 Ų141.1 Ų41.10%0.00424%0.238CC..EExtended strand (participates in β ladder)trans-108.9136.5175.9-175.5-102.9000110.5T42 T106 I195 G196 D197 G216 Y230 V231 F234T42-F214 HydrophobicContact CG2-CB 4.36Å; T42-F214 HydrophobicContact CG2-CD1 4.19Å; T42-F214 HydrophobicContact CG2-CG 4.36Å; T106-F214 HydrophobicContact CG2-CE1 3.97Å; T106-F214 HydrophobicContact CG2-CZ 3.55Å; I195-F214 HydrophobicContact CG2-CB 4.4Å; G196-F214 PolarHBondContact O-N 3.46Å; D197-F214 VanDerWaalsContact CA-O 3.25Å; D197-F214 WeakPolarHBondContact CA-O 3.45Å; D197-F214 WeakPolarHBondContact CB-O 3.22Å; F214-G216 VanDerWaalsContact CZ-CA 3.48Å; F214-Y230 PolarHBondContact O-OH 2.92Å; F214-V231 CarbonylContact C-O 3.51Å; F214-V231 WeakPolarHBondContact CA-O 3.4Å; F214-V231 HydrophobicContact CD2-CG2 4.03Å; F214-F234 HydrophobicContact CD2-CD1 4.2Å; F214-F234 AromaticContact CD2-CE1 3.74Å; F214-F234 HydrophobicContact CD2-CE1 3.74Å; F214-F234 AromaticContact CD2-CZ 3.96Å; F214-F234 HydrophobicContact CD2-CZ 3.96Å; F214-F234 HydrophobicContact CE1-CE2 4.44Å; F214-F234 HydrophobicContact CE1-CZ 4.33Å; F214-F234 AromaticContact CE2-CD1 3.95Å; F214-F234 HydrophobicContact CE2-CD1 3.95Å; F214-F234 HydrophobicContact CE2-CD2 4.15Å; F214-F234 AromaticContact CE2-CE1 3.77Å; F214-F234 HydrophobicContact CE2-CE1 3.77Å; F214-F234 AromaticContact CE2-CE2 3.97Å; F214-F234 HydrophobicContact CE2-CE2 3.97Å; F214-F234 HydrophobicContact CE2-CG 4.14Å; F214-F234 AromaticContact CE2-CZ 3.78Å; F214-F234 HydrophobicContact CE2-CZ 3.78Å; F214-F234 HydrophobicContact CG-CE1 4.4Å; F214-F234 HydrophobicContact CG-CZ 4.35Å; F214-F234 HydrophobicContact CZ-CD2 4.27Å; F214-F234 HydrophobicContact CZ-CE1 4.44Å; F214-F234 AromaticContact CZ-CE2 3.89Å; F214-F234 HydrophobicContact CZ-CE2 3.89Å; F214-F234 AromaticContact CZ-CZ 3.98Å; F214-F234 HydrophobicContact CZ-CZ 3.98Å
215G98.2Very high97.3Very high6 Ų649.1 Ų49.16%0.06228%0.275CS..  trans-135.117.8-17800000114.5N217 V219 Y230 V231G215-N217 VanDerWaalsContact C-N 3.34Å; G215-V219 WeakPolarHBondContact O-CG2 3.35Å; G215-Y230 WeakPolarHBondContact CA-OH 3.38Å; G215-V231 PolarHBondContact N-O 2.95Å
216G98.1Very high97.2Very high36 Ų3652.8 Ų52.837%0.37128%0.283SS..SBendtrans-71.5-26.5-175.800000114.2F214 T232F214-G216 VanDerWaalsContact CZ-CA 3.48Å; G216-T232 WeakPolarHBondContact CA-O 3.45Å
217N97.7Very high97.2Very high48 Ų4849 Ų4926%0.25726%0.259SS..SBendtrans-106.2-48.9176.2-57.2-50.1000111.9S41 I44 T106 G215S41-N217 WeakPolarHBondContact O-CB 3.2Å; S41-N217 PolarHBondContact O-ND2 3.1Å; I44-N217 PolarHBondContact O-ND2 3.31Å; T106-N217 PolarHBondContact OG1-ND2 3.03Å; G215-N217 VanDerWaalsContact C-N 3.34Å
218V96.3Very high97Very high56 Ų5649.1 Ų49.134%0.33926%0.261SS..  trans-134.4126.6-179.6-177.90000109.8R220V218-R220 HydrophobicContact CG1-CG 4.27Å
219V97.3Very high97Very high86 Ų8649.6 Ų49.652%0.52126%0.262SS..  trans-93.2112.2174.4179.20000109.7G215 K224G215-V219 WeakPolarHBondContact O-CG2 3.35Å; V219-K224 HydrophobicContact CG1-CD 4.15Å
220R95.4Very high97Very high92 Ų9250.2 Ų50.235%0.34726%0.263SS..  trans-97111.2172.5-55.9-166.1-164.1-98.1-3109.9E47 D197 V218 Q222 V223 K224E47-R220 IonicContact OE1-NH2 2.84Å; E47-R220 PolarHBondContact OE1-NH2 3.28Å; D197-R220 WeakPolarHBondContact O-CD 3.35Å; D197-R220 WeakPolarHBondContact O-CG 3.47Å; D197-R220 IonicContact OD2-CZ 3.76Å; D197-R220 IonicContact OD2-NE 2.88Å; D197-R220 PolarHBondContact OD2-NE 3.25Å; D197-R220 IonicContact OD2-NH2 3.28Å; D197-R220 PolarHBondContact OD2-NH2 2.93Å; V218-R220 HydrophobicContact CG1-CG 4.27Å; R220-Q222 VanDerWaalsContact C-N 3.33Å; R220-Q222 PolarHBondContact O-N 3.29Å; R220-V223 HydrophobicContact CB-CB 4.08Å; R220-V223 HydrophobicContact CB-CG2 3.9Å; R220-V223 PolarHBondContact O-N 2.92Å; R220-K224 PolarHBondContact O-N 3.18Å
221A95.8Very high97Very high76 Ų7650.2 Ų50.263%0.62826%0.263SS*.Hα-helixtrans-52.8-46.8-172.800000113.4V223 K224 E225A221-V223 VanDerWaalsContact C-N 3.3Å; A221-V223 PolarHBondContact O-N 3.15Å; A221-K224 PolarHBondContact O-N 3.39Å; A221-E225 WeakPolarHBondContact O-CB 3.29Å; A221-E225 PolarHBondContact O-N 3.49Å
222Q94.3Very high97Very high134 Ų13453.5 Ų53.563%0.62628%0.284SS*.Hα-helixtrans-63.3-34.3178.7-67.8-174.6-1.300113R220 R226R220-Q222 VanDerWaalsContact C-N 3.33Å; R220-Q222 PolarHBondContact O-N 3.29Å; Q222-R226 VanDerWaalsContact O-CB 3.29Å; Q222-R226 WeakPolarHBondContact O-CB 3.37Å; Q222-R226 WeakPolarHBondContact O-CD 3.49Å; Q222-R226 WeakPolarHBondContact O-CG 3.29Å; Q222-R226 PolarHBondContact O-N 2.8Å
223V96.3Very high97Very high3 Ų355.1 Ų55.12%0.01830%0.295CS..Hα-helixtrans-73.5-45177.9-179.50000109.4D197 L202 F211 R220 A221 E225 R226 S227 Y230D197-V223 WeakPolarHBondContact O-CG2 3.42Å; L202-V223 HydrophobicContact CD1-CG1 4.25Å; F211-V223 HydrophobicContact CE1-CG1 3.7Å; F211-V223 HydrophobicContact CZ-CG1 3.77Å; R220-V223 HydrophobicContact CB-CB 4.08Å; R220-V223 HydrophobicContact CB-CG2 3.9Å; R220-V223 PolarHBondContact O-N 2.92Å; A221-V223 VanDerWaalsContact C-N 3.3Å; A221-V223 PolarHBondContact O-N 3.15Å; V223-E225 VanDerWaalsContact C-N 3.34Å; V223-E225 PolarHBondContact O-N 2.97Å; V223-R226 PolarHBondContact O-N 3.26Å; V223-S227 VanDerWaalsContact O-CB 3.3Å; V223-S227 WeakPolarHBondContact O-CB 3.22Å; V223-S227 PolarHBondContact O-N 2.9Å; V223-S227 PolarHBondContact O-OG 3.41Å; V223-Y230 HydrophobicContact CG1-CE2 4.27Å
224K97.3Very high97Very high120 Ų12055.1 Ų55.152%0.52230%0.295SS..Hα-helixtrans-57-45.4176.2-177.4176.2179178.60112.7V219 R220 A221 R226 Y230V219-K224 HydrophobicContact CG1-CD 4.15Å; R220-K224 PolarHBondContact O-N 3.18Å; A221-K224 PolarHBondContact O-N 3.39Å; K224-R226 VanDerWaalsContact C-N 3.34Å; K224-Y230 VanDerWaalsContact CA-CD2 3.49Å; K224-Y230 HydrophobicContact CB-CD1 4.37Å; K224-Y230 HydrophobicContact CB-CD2 4Å; K224-Y230 HydrophobicContact CB-CE1 4.16Å; K224-Y230 HydrophobicContact CB-CE2 3.82Å; K224-Y230 HydrophobicContact CB-CG 4.27Å; K224-Y230 HydrophobicContact CD-CD1 4.3Å; K224-Y230 HydrophobicContact CD-CE1 4.13Å; K224-Y230 HydrophobicContact CG-CD1 3.89Å; K224-Y230 HydrophobicContact CG-CD2 4.25Å; K224-Y230 HydrophobicContact CG-CE1 4Å; K224-Y230 HydrophobicContact CG-CE2 4.39Å; K224-Y230 HydrophobicContact CG-CG 4.01Å
225E96.1Very high96.9Very high168 Ų16858.7 Ų58.779%0.78532%0.315SS*.Hα-helixtrans-67.4-34.7-179.7-174.8178.9-174.100112.8A221 V223A221-E225 WeakPolarHBondContact O-CB 3.29Å; A221-E225 PolarHBondContact O-N 3.49Å; V223-E225 VanDerWaalsContact C-N 3.34Å; V223-E225 PolarHBondContact O-N 2.97Å
226R95.3Very high97Very high116 Ų11661.8 Ų61.844%0.43833%0.328SS..Hα-helixtrans-95.8-5-174.7-65.1172.764.2-163.1-1114L202 Q222 V223 K224L202-R226 HydrophobicContact CD1-CB 3.54Å; L202-R226 VanDerWaalsContact CD2-CZ 3.45Å; L202-R226 VanDerWaalsContact CD2-NH2 3.3Å; Q222-R226 VanDerWaalsContact O-CB 3.29Å; Q222-R226 WeakPolarHBondContact O-CB 3.37Å; Q222-R226 WeakPolarHBondContact O-CD 3.49Å; Q222-R226 WeakPolarHBondContact O-CG 3.29Å; Q222-R226 PolarHBondContact O-N 2.8Å; V223-R226 PolarHBondContact O-N 3.26Å; K224-R226 VanDerWaalsContact C-N 3.34Å
227S95.4Very high97Very high15 Ų1560.1 Ų60.111%0.10531%0.31CS..  trans-86.1123.4178.5-62.10000110.6F211 V223 W229F211-S227 VanDerWaalsContact CE1-OG 3.24Å; F211-S227 WeakPolarHBondContact CE1-OG 3.24Å; V223-S227 VanDerWaalsContact O-CB 3.3Å; V223-S227 WeakPolarHBondContact O-CB 3.22Å; V223-S227 PolarHBondContact O-N 2.9Å; V223-S227 PolarHBondContact O-OG 3.41Å; S227-W229 PolarHBondContact O-N 3Å
228S93.6Very high97Very high37 Ų3758.2 Ų58.226%0.25930%0.3SS..SBendtrans-62.3-31.4172.7-54.80000113.1T20 M22 T25T20-S228 WeakPolarHBondContact O-CB 3.31Å; T20-S228 PolarHBondContact O-OG 2.93Å; M22-S228 VanDerWaalsContact CA-O 3.3Å; M22-S228 WeakPolarHBondContact CA-O 3.41Å; M22-S228 WeakPolarHBondContact CB-O 3.46Å; T25-S228 WeakPolarHBondContact OG1-CB 3.39Å
229W98.1Very high97Very high10 Ų1061.8 Ų61.84%0.03831%0.311CS..EExtended strand (participates in β ladder)trans-135.1124.1169.4-17521.1000108.8M22 T25 K26 F29 I212 G213 S227 V231 L237 E240M22-W229 HydrophobicContact CG-CB 4.08Å; M22-W229 HydrophobicContact CG-CG 4.14Å; T25-W229 HydrophobicContact CG2-CB 3.88Å; T25-W229 HydrophobicContact CG2-CE3 4.13Å; K26-W229 HydrophobicContact CG-CD2 3.85Å; K26-W229 HydrophobicContact CG-CE3 3.7Å; K26-W229 HydrophobicContact CG-CH2 4.01Å; K26-W229 HydrophobicContact CG-CZ2 4.15Å; K26-W229 HydrophobicContact CG-CZ3 3.79Å; F29-W229 HydrophobicContact CB-CZ3 4Å; F29-W229 AromaticContact CD1-CH2 3.87Å; F29-W229 HydrophobicContact CD1-CH2 3.87Å; F29-W229 AromaticContact CD1-CZ3 3.72Å; F29-W229 HydrophobicContact CD1-CZ3 3.72Å; F29-W229 HydrophobicContact CE1-CH2 4.26Å; F29-W229 HydrophobicContact CE1-CZ3 4.45Å; F29-W229 AromaticContact CG-CZ3 3.98Å; F29-W229 HydrophobicContact CG-CZ3 3.98Å; I212-W229 WeakPolarHBondContact CA-O 3.46Å; I212-W229 HydrophobicContact CD1-CE3 3.49Å; I212-W229 VanDerWaalsContact CD1-CE3 3.49Å; I212-W229 HydrophobicContact CD1-CH2 4.42Å; I212-W229 HydrophobicContact CD1-CZ3 3.42Å; I212-W229 VanDerWaalsContact CD1-CZ3 3.42Å; I212-W229 HydrophobicContact CG1-CD2 4.47Å; I212-W229 HydrophobicContact CG1-CE3 3.69Å; I212-W229 HydrophobicContact CG1-CZ3 4.17Å; I212-W229 HydrophobicContact CG2-CD2 4.19Å; I212-W229 HydrophobicContact CG2-CE3 4.13Å; I212-W229 HydrophobicContact CG2-CG 4.46Å; G213-W229 PolarHBondContact N-O 3.22Å; S227-W229 PolarHBondContact O-N 3Å; W229-V231 HydrophobicContact CD2-CG1 4.44Å; W229-V231 HydrophobicContact CZ2-CG1 3.92Å; W229-V231 VanDerWaalsContact NE1-CG1 3.26Å; W229-L237 HydrophobicContact CE3-CD2 4.47Å; W229-L237 HydrophobicContact CH2-CD2 3.19Å; W229-L237 HydrophobicContact CZ2-CD2 3.4Å; W229-L237 VanDerWaalsContact CZ2-CD2 3.4Å; W229-L237 HydrophobicContact CZ3-CD2 3.79Å; W229-E240 HydrophobicContact CH2-CB 3.8Å; W229-E240 HydrophobicContact CH2-CG 3.79Å; W229-E240 HydrophobicContact CZ2-CB 4.23Å; W229-E240 HydrophobicContact CZ2-CG 4.39Å; W229-E240 HydrophobicContact CZ3-CG 4.47Å
230Y98.6Very high97Very high38 Ų3858 Ų5815%0.14929%0.287CS..EExtended strand (participates in β ladder)trans-125.2130.9179.3-166.4-92.3000109.1G213 F214 G215 V223 K224 T232G213-Y230 CarbonylContact O-C 3.49Å; G213-Y230 WeakPolarHBondContact O-CA 3.33Å; F214-Y230 PolarHBondContact O-OH 2.92Å; G215-Y230 WeakPolarHBondContact CA-OH 3.38Å; V223-Y230 HydrophobicContact CG1-CE2 4.27Å; K224-Y230 VanDerWaalsContact CA-CD2 3.49Å; K224-Y230 HydrophobicContact CB-CD1 4.37Å; K224-Y230 HydrophobicContact CB-CD2 4Å; K224-Y230 HydrophobicContact CB-CE1 4.16Å; K224-Y230 HydrophobicContact CB-CE2 3.82Å; K224-Y230 HydrophobicContact CB-CG 4.27Å; K224-Y230 HydrophobicContact CD-CD1 4.3Å; K224-Y230 HydrophobicContact CD-CE1 4.13Å; K224-Y230 HydrophobicContact CG-CD1 3.89Å; K224-Y230 HydrophobicContact CG-CD2 4.25Å; K224-Y230 HydrophobicContact CG-CE1 4Å; K224-Y230 HydrophobicContact CG-CE2 4.39Å; K224-Y230 HydrophobicContact CG-CG 4.01Å; Y230-T232 HydrophobicContact CD1-CG2 4.44Å; Y230-T232 HydrophobicContact CE1-CG2 4.05Å
231V98.6Very high97Very high1 Ų153.6 Ų53.61%0.00627%0.271CS..EExtended strand (participates in β ladder)trans-126152.5-178.8-64.50000110.5I212 G213 F214 G215 W229 E236 L237I212-V231 HydrophobicContact CG2-CG2 4.04Å; G213-V231 PolarHBondContact O-N 2.92Å; F214-V231 CarbonylContact C-O 3.51Å; F214-V231 WeakPolarHBondContact CA-O 3.4Å; F214-V231 HydrophobicContact CD2-CG2 4.03Å; G215-V231 PolarHBondContact N-O 2.95Å; W229-V231 HydrophobicContact CD2-CG1 4.44Å; W229-V231 HydrophobicContact CZ2-CG1 3.92Å; W229-V231 VanDerWaalsContact NE1-CG1 3.26Å; V231-E236 HydrophobicContact CB-CB 4.23Å; V231-E236 HydrophobicContact CG1-CB 3.85Å; V231-L237 HydrophobicContact CG1-CD2 3.87Å; V231-L237 HydrophobicContact CG2-CD1 4.49Å; V231-L237 HydrophobicContact CG2-CD2 4.01Å; V231-L237 HydrophobicContact CG2-CG 4.22Å
232T98.4Very high96.8Very high81 Ų8156.6 Ų56.650%0.49727%0.272SS..SBendtrans-118.1-1.5175.658.20000112.7G216 Y230 E236G216-T232 WeakPolarHBondContact CA-O 3.45Å; Y230-T232 HydrophobicContact CD1-CG2 4.44Å; Y230-T232 HydrophobicContact CE1-CG2 4.05Å; T232-E236 PolarHBondContact N-OE1 3.36Å
233S98.5Very high96.4Very high33 Ų3356.6 Ų56.623%0.23127%0.27CS..  trans-138.3143.8167.8177.20000111.1D235 E236S233-D235 PolarHBondContact O-N 2.94Å; S233-D235 WeakPolarHBondContact OG-CB 3.47Å; S233-D235 VanDerWaalsContact OG-CG 3.27Å; S233-D235 PolarHBondContact OG-N 3.5Å; S233-D235 VanDerWaalsContact OG-N 3.09Å; S233-D235 PolarHBondContact OG-OD2 3.48Å; S233-D235 VanDerWaalsContact OG-OD2 3.13Å; S233-E236 PolarHBondContact N-OE1 3.4Å; S233-E236 VanDerWaalsContact N-OE1 3.15Å; S233-E236 WeakPolarHBondContact O-CB 3.31Å; S233-E236 PolarHBondContact O-N 2.89Å
234F98.7Very high94.8Very high0 Ų063.1 Ų63.10%030%0.303CS..Hα-helixtrans-64.7-18.6170.5-73.2-50.5000112.8F37 T42 T106 P107 I109 L112 I195 F214 E236 L237 L238F37-F234 HydrophobicContact CD1-CE1 4.47Å; F37-F234 HydrophobicContact CE1-CE1 4.01Å; T42-F234 HydrophobicContact CG2-CZ 4.15Å; T42-F234 WeakPolarHBondContact O-CE2 3.46Å; T106-F234 HydrophobicContact CG2-CD2 3.78Å; T106-F234 HydrophobicContact CG2-CE2 3.53Å; P107-F234 WeakPolarHBondContact O-CD2 3.47Å; I109-F234 HydrophobicContact CB-CD2 3.64Å; I109-F234 HydrophobicContact CB-CE2 3.62Å; I109-F234 HydrophobicContact CD1-CD1 4.41Å; I109-F234 HydrophobicContact CD1-CD2 4.09Å; I109-F234 HydrophobicContact CD1-CE1 4.08Å; I109-F234 HydrophobicContact CD1-CE2 3.71Å; I109-F234 HydrophobicContact CD1-CG 4.43Å; I109-F234 HydrophobicContact CD1-CZ 3.72Å; I109-F234 HydrophobicContact CG1-CD2 4.33Å; I109-F234 HydrophobicContact CG1-CE2 3.94Å; I109-F234 HydrophobicContact CG1-CZ 4.37Å; L112-F234 HydrophobicContact CD2-CB 4.16Å; L112-F234 HydrophobicContact CD2-CD1 3.46Å; L112-F234 VanDerWaalsContact CD2-CD1 3.46Å; L112-F234 HydrophobicContact CD2-CE1 4.09Å; L112-F234 HydrophobicContact CD2-CG 4Å; I195-F234 HydrophobicContact CG2-CE1 4.49Å; F214-F234 HydrophobicContact CD2-CD1 4.2Å; F214-F234 AromaticContact CD2-CE1 3.74Å; F214-F234 HydrophobicContact CD2-CE1 3.74Å; F214-F234 AromaticContact CD2-CZ 3.96Å; F214-F234 HydrophobicContact CD2-CZ 3.96Å; F214-F234 HydrophobicContact CE1-CE2 4.44Å; F214-F234 HydrophobicContact CE1-CZ 4.33Å; F214-F234 AromaticContact CE2-CD1 3.95Å; F214-F234 HydrophobicContact CE2-CD1 3.95Å; F214-F234 HydrophobicContact CE2-CD2 4.15Å; F214-F234 AromaticContact CE2-CE1 3.77Å; F214-F234 HydrophobicContact CE2-CE1 3.77Å; F214-F234 AromaticContact CE2-CE2 3.97Å; F214-F234 HydrophobicContact CE2-CE2 3.97Å; F214-F234 HydrophobicContact CE2-CG 4.14Å; F214-F234 AromaticContact CE2-CZ 3.78Å; F214-F234 HydrophobicContact CE2-CZ 3.78Å; F214-F234 HydrophobicContact CG-CE1 4.4Å; F214-F234 HydrophobicContact CG-CZ 4.35Å; F214-F234 HydrophobicContact CZ-CD2 4.27Å; F214-F234 HydrophobicContact CZ-CE1 4.44Å; F214-F234 AromaticContact CZ-CE2 3.89Å; F214-F234 HydrophobicContact CZ-CE2 3.89Å; F214-F234 AromaticContact CZ-CZ 3.98Å; F214-F234 HydrophobicContact CZ-CZ 3.98Å; F234-E236 PolarHBondContact O-N 2.96Å; F234-L237 HydrophobicContact CD1-CD1 3.9Å; F234-L237 HydrophobicContact CE1-CD1 4.31Å; F234-L237 WeakPolarHBondContact O-CB 3.45Å; F234-L237 PolarHBondContact O-N 3.41Å; F234-L238 PolarHBondContact O-N 3.23Å
235D98.3Very high94.6Very high76 Ų7660.3 Ų60.341%0.40629%0.292SS..Hα-helixtrans-61-29.2173.5-58.2-25.9000112.5S233 L237 L238 K239S233-D235 PolarHBondContact O-N 2.94Å; S233-D235 WeakPolarHBondContact OG-CB 3.47Å; S233-D235 VanDerWaalsContact OG-CG 3.27Å; S233-D235 PolarHBondContact OG-N 3.5Å; S233-D235 VanDerWaalsContact OG-N 3.09Å; S233-D235 PolarHBondContact OG-OD2 3.48Å; S233-D235 VanDerWaalsContact OG-OD2 3.13Å; D235-L237 VanDerWaalsContact C-N 3.33Å; D235-L238 PolarHBondContact O-N 3.4Å; D235-K239 WeakPolarHBondContact O-CB 3.42Å; D235-K239 VanDerWaalsContact O-CG 3.26Å; D235-K239 WeakPolarHBondContact O-CG 3.49Å; D235-K239 PolarHBondContact O-N 3Å
236E98.5Very high94.6Very high72 Ų7254.6 Ų54.634%0.33627%0.266SS..Hα-helixtrans-67.7-37.2176-61.4179.9-10800111.4V231 T232 S233 F234 E240V231-E236 HydrophobicContact CB-CB 4.23Å; V231-E236 HydrophobicContact CG1-CB 3.85Å; T232-E236 PolarHBondContact N-OE1 3.36Å; S233-E236 PolarHBondContact N-OE1 3.4Å; S233-E236 VanDerWaalsContact N-OE1 3.15Å; S233-E236 WeakPolarHBondContact O-CB 3.31Å; S233-E236 PolarHBondContact O-N 2.89Å; F234-E236 PolarHBondContact O-N 2.96Å; E236-E240 PolarHBondContact O-N 3Å; E236-E240 VanDerWaalsContact O-N 3.13Å
237L98.3Very high94.5Very high0 Ų051.2 Ų51.20%026%0.257CS..Hα-helixtrans-71.9-41175.7-55.6-168.6000110.8F29 L112 I195 I212 W229 V231 F234 D235 E240 L241F29-L237 HydrophobicContact CE1-CB 3.96Å; F29-L237 HydrophobicContact CE1-CD2 4.43Å; F29-L237 HydrophobicContact CZ-CB 3.92Å; F29-L237 HydrophobicContact CZ-CD1 4.39Å; L112-L237 HydrophobicContact CD1-CB 3.9Å; L112-L237 HydrophobicContact CD2-CB 4.07Å; L112-L237 HydrophobicContact CD2-CD1 3.74Å; L112-L237 HydrophobicContact CD2-CG 4.46Å; I195-L237 HydrophobicContact CD1-CD1 3.73Å; I195-L237 HydrophobicContact CG2-CD1 4.49Å; I212-L237 HydrophobicContact CD1-CD2 4.32Å; I212-L237 HydrophobicContact CG2-CD2 4.16Å; W229-L237 HydrophobicContact CE3-CD2 4.47Å; W229-L237 HydrophobicContact CH2-CD2 3.19Å; W229-L237 HydrophobicContact CZ2-CD2 3.4Å; W229-L237 VanDerWaalsContact CZ2-CD2 3.4Å; W229-L237 HydrophobicContact CZ3-CD2 3.79Å; V231-L237 HydrophobicContact CG1-CD2 3.87Å; V231-L237 HydrophobicContact CG2-CD1 4.49Å; V231-L237 HydrophobicContact CG2-CD2 4.01Å; V231-L237 HydrophobicContact CG2-CG 4.22Å; F234-L237 HydrophobicContact CD1-CD1 3.9Å; F234-L237 HydrophobicContact CE1-CD1 4.31Å; F234-L237 WeakPolarHBondContact O-CB 3.45Å; F234-L237 PolarHBondContact O-N 3.41Å; D235-L237 VanDerWaalsContact C-N 3.33Å; L237-E240 PolarHBondContact O-N 3.49Å; L237-L241 WeakPolarHBondContact O-CG 3.27Å; L237-L241 PolarHBondContact O-N 3.18Å
238L97.9Very high94.5Very high9 Ų953.4 Ų53.45%0.04727%0.266CS..Hα-helixtrans-56.6-51.3173.7-77.5168.1000111.5E111 L112 R115 F234 D235 E240 L241 E242E111-L238 HydrophobicContact CB-CD1 4.09Å; E111-L238 HydrophobicContact CG-CD1 3.92Å; E111-L238 HydrophobicContact CG-CD2 4Å; L112-L238 HydrophobicContact CB-CD2 4.27Å; L112-L238 HydrophobicContact CB-CG 4.3Å; L112-L238 HydrophobicContact CD1-CD2 4.22Å; L112-L238 HydrophobicContact CD1-CG 4.28Å; R115-L238 HydrophobicContact CB-CD2 4.01Å; R115-L238 HydrophobicContact CG-CD2 3.84Å; F234-L238 PolarHBondContact O-N 3.23Å; D235-L238 PolarHBondContact O-N 3.4Å; L238-E240 PolarHBondContact O-N 2.93Å; L238-L241 WeakPolarHBondContact O-CA 3.11Å; L238-L241 WeakPolarHBondContact O-CB 3.01Å; L238-L241 PolarHBondContact O-N 3.07Å; L238-E242 PolarHBondContact O-N 3.42Å
239K97.4Very high94.5Very high131 Ų13154.4 Ų54.457%0.5727%0.266SS*.Hα-helixtrans-58.6-35.2175.9-74.8169-177.1171.20112.9D235 E242D235-K239 WeakPolarHBondContact O-CB 3.42Å; D235-K239 VanDerWaalsContact O-CG 3.26Å; D235-K239 WeakPolarHBondContact O-CG 3.49Å; D235-K239 PolarHBondContact O-N 3Å; K239-E242 PolarHBondContact O-N 3.06Å
240E97.4Very high94.3Very high5 Ų557.3 Ų57.32%0.02328%0.281CS..Hα-helixtrans-70.3-36176.5-168.659.5-143.300111.7K26 F29 R30 W229 E236 L237 L238 E242 K243K26-E240 HydrophobicContact CB-CG 4.14Å; K26-E240 HydrophobicContact CD-CG 4.39Å; K26-E240 HydrophobicContact CG-CG 4.08Å; K26-E240 IonicContact NZ-OE2 3.27Å; F29-E240 HydrophobicContact CD1-CG 4.38Å; R30-E240 HydrophobicContact CG-CG 4.39Å; R30-E240 IonicContact CZ-OE1 2.72Å; R30-E240 VanDerWaalsContact CZ-OE1 3.29Å; R30-E240 IonicContact NE-OE1 2.7Å; R30-E240 IonicContact NH1-OE1 2.61Å; R30-E240 PolarHBondContact NH1-OE1 3.31Å; R30-E240 IonicContact NH2-OE1 2.58Å; W229-E240 HydrophobicContact CH2-CB 3.8Å; W229-E240 HydrophobicContact CH2-CG 3.79Å; W229-E240 HydrophobicContact CZ2-CB 4.23Å; W229-E240 HydrophobicContact CZ2-CG 4.39Å; W229-E240 HydrophobicContact CZ3-CG 4.47Å; E236-E240 PolarHBondContact O-N 3Å; E236-E240 VanDerWaalsContact O-N 3.13Å; L237-E240 PolarHBondContact O-N 3.49Å; L238-E240 PolarHBondContact O-N 2.93Å; E240-E242 VanDerWaalsContact C-N 3.34Å; E240-K243 PolarHBondContact O-N 3.25Å; E240-K243 IonicContact OE1-NZ 2.75Å; E240-K243 IonicContact OE2-NZ 2.94Å; E240-K243 PolarHBondContact OE2-NZ 2.88Å
241L94.8Very high94Very high1 Ų158.7 Ų58.71%0.00529%0.291CS..Hα-helixtrans-66-35.4173.4-67177.3000111.3F29 L112 R115 L116 R119 L237 L238 K243F29-L241 HydrophobicContact CD1-CD2 4.08Å; F29-L241 HydrophobicContact CE1-CD1 4.25Å; F29-L241 HydrophobicContact CE1-CD2 3.6Å; F29-L241 HydrophobicContact CE1-CG 3.63Å; F29-L241 HydrophobicContact CZ-CD1 4.05Å; F29-L241 HydrophobicContact CZ-CD2 3.92Å; F29-L241 HydrophobicContact CZ-CG 3.94Å; L112-L241 HydrophobicContact CD1-CD1 3.81Å; R115-L241 HydrophobicContact CB-CD1 4.3Å; L116-L241 HydrophobicContact CD2-CD1 3.86Å; L116-L241 HydrophobicContact CD2-CD2 4.48Å; L116-L241 HydrophobicContact CG-CD1 4.34Å; R119-L241 PolarHBondContact NH1-O 3.29Å; R119-L241 PolarHBondContact NH2-O 2.93Å; L237-L241 WeakPolarHBondContact O-CG 3.27Å; L237-L241 PolarHBondContact O-N 3.18Å; L238-L241 WeakPolarHBondContact O-CA 3.11Å; L238-L241 WeakPolarHBondContact O-CB 3.01Å; L238-L241 PolarHBondContact O-N 3.07Å; L241-K243 PolarHBondContact O-N 3.32Å; L241-K243 VanDerWaalsContact O-N 3.15Å
242E90.9Very high93.6Very high139 Ų13963.2 Ų63.265%0.6531%0.313SS*.THydrogen-bonded Turntrans-65.2-15.8-179.6-71.2173.5171.500115.2L238 K239 E240 I244L238-E242 PolarHBondContact O-N 3.42Å; K239-E242 PolarHBondContact O-N 3.06Å; E240-E242 VanDerWaalsContact C-N 3.34Å; E242-I244 PolarHBondContact O-N 2.75Å
243K85.9Confident93.2Very high133 Ų13361.7 Ų61.758%0.57830%0.297SS*.THydrogen-bonded Turntrans-74.913.1-179.2-64.2174.9-174169.70114.6E240 L241E240-K243 PolarHBondContact O-N 3.25Å; E240-K243 IonicContact OE1-NZ 2.75Å; E240-K243 IonicContact OE2-NZ 2.94Å; E240-K243 PolarHBondContact OE2-NZ 2.88Å; L241-K243 PolarHBondContact O-N 3.32Å; L241-K243 VanDerWaalsContact O-N 3.15Å
244I62Low92.7Very high141 Ų14164.3 Ų64.372%0.72330%0.304SS*.  trans-130.70178.9-37.3172.1000109.5R30 R119 E242R30-I244 HydrophobicContact CB-CD1 3.52Å; R30-I244 HydrophobicContact CB-CG1 4.45Å; R30-I244 HydrophobicContact CG-CD1 3.68Å; R30-I244 HydrophobicContact CG-CG1 4.17Å; R119-I244 PolarHBondContact NH2-O 2.84Å; E242-I244 PolarHBondContact O-N 2.75Å

Retrieved 244 of 244 residues in 260.4 ms (Link to these results)

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