A0A096M6L5_POEFO Loading...

alpha-N-acetylgalactosaminide alpha-2,6-sialyltransferase

AlphaFold DB , UniProt , Accession A0A096M6L5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 324 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
1D36.7Very low32.6Very low220 Ų220165.5 Ų165.5100%1.17683%0.828SS**  0107.80-63.3-26.4000111.8
2L37.1Very low34.2Very low169 Ų169157.8 Ų157.889%0.88581%0.81SS**  trans-71.8163.6166.6-93.9134000110.1
3Q29.2Very low36.1Very low169 Ų169149.8 Ų149.879%0.7977%0.774SS**  trans90127.4163-67.5-178.6200116.2
4L32.5Very low38.5Very low130 Ų130145.5 Ų145.568%0.68176%0.761SS**  cis-153.7119.911.5-99.1144.5000110.2I6L4-I6 HydrophobicContact CD2-CD1 4.26Å; L4-I6 HydrophobicContact CD2-CG1 3.99Å; L4-I6 PolarHBondContact O-N 3.5Å
5N34.7Very low41.7Very low150 Ų150138.1 Ų138.180%0.80273%0.726SS**  trans-65.9117.3147-98.8-29.7000107.5
6I31.3Very low44.7Very low129 Ų129129.6 Ų129.666%0.66268%0.682SS**  trans-124.886.2150.1-55.5178.2000105.5L4 E8L4-I6 HydrophobicContact CD2-CD1 4.26Å; L4-I6 HydrophobicContact CD2-CG1 3.99Å; L4-I6 PolarHBondContact O-N 3.5Å; I6-E8 VanDerWaalsContact C-N 3.27Å; I6-E8 HydrophobicContact CG2-CG 4.2Å; I6-E8 PolarHBondContact O-N 3.2Å
7R29.3Very low47.3Very low222 Ų222124.9 Ų124.984%0.83865%0.653SS**  trans-69.2100.7148.9-71.7-178.3178.8-172.8-1104E9R7-E9 PolarHBondContact O-N 2.85Å
8E30.5Very low49.6Very low176 Ų176119.7 Ų119.782%0.82263%0.631SS**  trans-6092.8156.2-98.5180152.300105.5I6 A10I6-E8 VanDerWaalsContact C-N 3.27Å; I6-E8 HydrophobicContact CG2-CG 4.2Å; I6-E8 PolarHBondContact O-N 3.2Å; E8-A10 PolarHBondContact O-N 2.87Å
9E29.4Very low51.7Low180 Ų180115.2 Ų115.284%0.84161%0.608SS**  trans-57.194.6149.1-78.3-176.8162.700104.8R7 E11R7-E9 PolarHBondContact O-N 2.85Å; E9-E11 VanDerWaalsContact C-N 3.32Å; E9-E11 PolarHBondContact O-N 2.81Å
10A31.8Very low53.6Low92 Ų92109.6 Ų109.676%0.7658%0.579SS**  trans-55.2103.4172.100000106.5E8 A12E8-A10 PolarHBondContact O-N 2.87Å; A10-A12 PolarHBondContact O-N 3.08Å; A10-A12 VanDerWaalsContact O-N 3.08Å
11E36.7Very low55.2Low183 Ų183112.6 Ų112.686%0.85558%0.582SS**  trans-45.3122.8173.2-85.7-175.6149.400107.2E9 P13E9-E11 VanDerWaalsContact C-N 3.32Å; E9-E11 PolarHBondContact O-N 2.81Å; E11-P13 VanDerWaalsContact O-N 3.12Å
12A51.2Low57.7Low74 Ų74108.9 Ų108.961%0.61256%0.562SS**PPolyproline II helixtrans-51.9127.2175.800000107.2A10A10-A12 PolarHBondContact O-N 3.08Å; A10-A12 VanDerWaalsContact O-N 3.08Å
13P58.8Low60.3Low53 Ų53102.3 Ų102.334%0.34453%0.528SS..PPolyproline II helixtrans-51.1138.7-173.3-13.49.6000109.9E11 S15 Q264E11-P13 VanDerWaalsContact O-N 3.12Å; P13-S15 PolarHBondContact O-N 3.2Å; P13-Q264 PolarHBondContact O-NE2 3.26Å
14P69.9Low63.3Low90 Ų9099 Ų9958%0.58452%0.521SS*.PPolyproline II helixtrans-53.4134.8-174.720.2-31.6000109.2A18 V19P14-A18 HydrophobicContact CB-CB 4.14Å; P14-V19 HydrophobicContact CB-CG2 4.42Å; P14-V19 HydrophobicContact CG-CG2 4.24Å
15S86.4Confident66.2Low34 Ų3496.8 Ų96.824%0.23851%0.513CS..PPolyproline II helixtrans-52.5148.9175.570.90000109.8P13 R17 A18 V19 D263P13-S15 PolarHBondContact O-N 3.2Å; S15-R17 PolarHBondContact O-N 3.27Å; S15-A18 WeakPolarHBondContact O-CA 3.33Å; S15-A18 WeakPolarHBondContact O-CB 3.45Å; S15-A18 PolarHBondContact O-N 3.45Å; S15-A18 PolarHBondContact OG-N 3.01Å; S15-V19 PolarHBondContact O-N 3.05Å; S15-D263 CarbonylContact C-O 3.48Å; S15-D263 WeakPolarHBondContact CA-O 3.38Å
16L90.2Very high68.9Low3 Ų390.3 Ų90.32%0.01648%0.478CS..Hα-helixtrans-53.7-30.6176.468.286.7000111.8A18 V19 M20 F32 L259 C262 D263 V265 V313L16-A18 VanDerWaalsContact C-N 3.34Å; L16-A18 PolarHBondContact O-N 3.3Å; L16-V19 PolarHBondContact O-N 2.69Å; L16-M20 HydrophobicContact CD1-CE 3.95Å; L16-M20 HydrophobicContact CD1-SD 4.28Å; L16-M20 WeakPolarHBondContact O-CB 3.45Å; L16-M20 VanDerWaalsContact O-CG 3.29Å; L16-M20 WeakPolarHBondContact O-CG 3.46Å; L16-M20 PolarHBondContact O-N 3.29Å; L16-F32 HydrophobicContact CD1-CE1 3.99Å; L16-F32 HydrophobicContact CD1-CZ 3.75Å; L16-L259 VanDerWaalsContact CD1-O 3.24Å; L16-L259 WeakPolarHBondContact CD1-O 3.38Å; L16-L259 HydrophobicContact CD2-CD2 4.19Å; L16-C262 WeakPolarHBondContact CD2-O 3.3Å; L16-D263 PolarHBondContact N-O 3.03Å; L16-V265 HydrophobicContact CD2-CG2 3.9Å; L16-V313 HydrophobicContact CB-CG1 4.31Å
17R88.6Confident71.7Confident50 Ų5090.2 Ų90.219%0.18948%0.475CS..Hα-helixtrans-68.9-30.5176.5-61.7-172.3-172.687.13.2112.8S15 R21 F32 H260 T261 C262 D263S15-R17 PolarHBondContact O-N 3.27Å; R17-R21 VanDerWaalsContact O-CG 3.31Å; R17-R21 WeakPolarHBondContact O-CG 3.27Å; R17-R21 PolarHBondContact O-N 3.41Å; R17-R21 VanDerWaalsContact O-N 3.17Å; R17-R21 PolarHBondContact O-NE 3.17Å; R17-F32 HydrophobicContact CG-CD1 4.28Å; R17-F32 HydrophobicContact CG-CE1 3.81Å; R17-F32 HydrophobicContact CG-CE2 4.12Å; R17-F32 HydrophobicContact CG-CZ 3.72Å; R17-H260 PolarHBondContact NH2-O 2.82Å; R17-T261 PolarHBondContact NH2-O 3.17Å; R17-C262 PolarHBondContact NH1-O 3.39Å; R17-D263 IonicContact NH1-OD1 2.77Å; R17-D263 PolarHBondContact NH1-OD1 3.17Å
18A87.9Confident74.6Confident31 Ų3184 Ų8426%0.25647%0.466SS..Hα-helixtrans-71.9-43.6173.600000110.4P14 S15 L16 M20 R21 N22P14-A18 HydrophobicContact CB-CB 4.14Å; S15-A18 WeakPolarHBondContact O-CA 3.33Å; S15-A18 WeakPolarHBondContact O-CB 3.45Å; S15-A18 PolarHBondContact O-N 3.45Å; S15-A18 PolarHBondContact OG-N 3.01Å; L16-A18 VanDerWaalsContact C-N 3.34Å; L16-A18 PolarHBondContact O-N 3.3Å; A18-M20 PolarHBondContact O-N 3.48Å; A18-R21 PolarHBondContact O-N 2.77Å; A18-N22 PolarHBondContact O-ND2 2.78Å
19V90.1Very high77.5Confident33 Ų3381.6 Ų81.620%0.245%0.449CS..Hα-helixtrans-58.1-48.9174179.40000110.9P14 S15 L16 R21 N22 D23 R311 V313P14-V19 HydrophobicContact CB-CG2 4.42Å; P14-V19 HydrophobicContact CG-CG2 4.24Å; S15-V19 PolarHBondContact O-N 3.05Å; L16-V19 PolarHBondContact O-N 2.69Å; V19-R21 VanDerWaalsContact C-N 3.33Å; V19-R21 PolarHBondContact O-N 2.91Å; V19-N22 PolarHBondContact O-N 3.21Å; V19-N22 VanDerWaalsContact O-N 3.17Å; V19-D23 PolarHBondContact O-N 3.09Å; V19-R311 WeakPolarHBondContact CG1-O 3.35Å; V19-V313 HydrophobicContact CB-CG2 4.3Å; V19-V313 HydrophobicContact CG1-CG2 3.7Å
20M89.8Confident80.4Confident4 Ų473.9 Ų73.92%0.0241%0.412CS..Hα-helixtrans-65.1-31.8180-72.6-172.2-17400114L16 A18 N22 D23 L26 F30 F32 V313L16-M20 HydrophobicContact CD1-CE 3.95Å; L16-M20 HydrophobicContact CD1-SD 4.28Å; L16-M20 WeakPolarHBondContact O-CB 3.45Å; L16-M20 VanDerWaalsContact O-CG 3.29Å; L16-M20 WeakPolarHBondContact O-CG 3.46Å; L16-M20 PolarHBondContact O-N 3.29Å; A18-M20 PolarHBondContact O-N 3.48Å; M20-N22 PolarHBondContact O-N 3.03Å; M20-D23 PolarHBondContact O-N 3.01Å; M20-L26 HydrophobicContact CB-CB 4.41Å; M20-L26 HydrophobicContact CG-CB 4.22Å; M20-L26 HydrophobicContact CG-CD1 4.11Å; M20-F30 HydrophobicContact CE-CD1 3.48Å; M20-F30 VanDerWaalsContact CE-CD1 3.48Å; M20-F30 HydrophobicContact CE-CD2 3.94Å; M20-F30 HydrophobicContact CE-CE1 3.45Å; M20-F30 VanDerWaalsContact CE-CE1 3.45Å; M20-F30 HydrophobicContact CE-CE2 3.93Å; M20-F30 HydrophobicContact CE-CG 3.73Å; M20-F30 HydrophobicContact CE-CZ 3.68Å; M20-F30 HydrophobicContact SD-CB 3.69Å; M20-F30 HydrophobicContact SD-CD1 3.68Å; M20-F30 HydrophobicContact SD-CD2 3.94Å; M20-F30 HydrophobicContact SD-CE1 4.28Å; M20-F30 HydrophobicContact SD-CG 3.47Å; M20-F30 WeakPolarHBondContact SD-CG 3.38Å; M20-F32 HydrophobicContact CE-CZ 4.22Å; M20-F32 HydrophobicContact SD-CE2 3.58Å; M20-F32 VanDerWaalsContact SD-CE2 3.58Å; M20-F32 HydrophobicContact SD-CZ 3.33Å; M20-F32 WeakPolarHBondContact SD-CZ 3.11Å; M20-V313 HydrophobicContact CE-CG1 3.35Å; M20-V313 HydrophobicContact CE-CG2 4.38Å; M20-V313 HydrophobicContact CG-CG2 4.05Å
21R87.6Confident83.2Confident173 Ų17371.1 Ų71.165%0.65339%0.388SS*.Hα-helixtrans-63.8-26.3176.2-86.5-176.4-110.4-172-4.5112.7R17 A18 V19R17-R21 VanDerWaalsContact O-CG 3.31Å; R17-R21 WeakPolarHBondContact O-CG 3.27Å; R17-R21 PolarHBondContact O-N 3.41Å; R17-R21 VanDerWaalsContact O-N 3.17Å; R17-R21 PolarHBondContact O-NE 3.17Å; A18-R21 PolarHBondContact O-N 2.77Å; V19-R21 VanDerWaalsContact C-N 3.33Å; V19-R21 PolarHBondContact O-N 2.91Å
22N89Confident85.6Confident142 Ų14266 Ų6676%0.75936%0.363SS*.THydrogen-bonded Turntrans-97.80.2-177.8-62.9-24.8000113.2A18 V19 M20A18-N22 PolarHBondContact O-ND2 2.78Å; V19-N22 PolarHBondContact O-N 3.21Å; V19-N22 VanDerWaalsContact O-N 3.17Å; M20-N22 PolarHBondContact O-N 3.03Å
23D92.3Very high87.1Confident30 Ų3067.6 Ų67.616%0.1637%0.37CS..  trans-114.1107.9175.1-177.6-45.2000109.6V19 M20 V25 L26 Q27 R311V19-D23 PolarHBondContact O-N 3.09Å; M20-D23 PolarHBondContact O-N 3.01Å; D23-V25 VanDerWaalsContact C-N 3.26Å; D23-V25 PolarHBondContact O-N 3.36Å; D23-V25 WeakPolarHBondContact OD1-CA 3.44Å; D23-V25 WeakPolarHBondContact OD1-CB 3.34Å; D23-V25 PolarHBondContact OD1-N 3.2Å; D23-L26 HydrophobicContact CB-CB 4.02Å; D23-L26 HydrophobicContact CB-CD1 3.92Å; D23-L26 HydrophobicContact CB-CG 4.03Å; D23-L26 PolarHBondContact O-N 2.88Å; D23-L26 PolarHBondContact OD1-N 3.3Å; D23-Q27 WeakPolarHBondContact O-CB 3.45Å; D23-Q27 PolarHBondContact O-N 3.18Å; D23-R311 WeakPolarHBondContact OD2-CD 3.43Å; D23-R311 IonicContact OD2-NE 3.6Å; D23-R311 PolarHBondContact OD2-NE 3.45Å
24P92.5Very high88.2Confident99 Ų9966.9 Ų66.964%0.64336%0.363SS*.Hα-helixtrans-59.3-32.9-177.3-25.934.3000114.2S28P24-S28 PolarHBondContact O-N 2.83Å; P24-S28 VanDerWaalsContact O-N 3.13Å
25V91.6Very high88.8Confident85 Ų8564.2 Ų64.252%0.51535%0.345SS..Hα-helixtrans-68.5-47.5179178.50000109D23 S28 R29D23-V25 VanDerWaalsContact C-N 3.26Å; D23-V25 PolarHBondContact O-N 3.36Å; D23-V25 WeakPolarHBondContact OD1-CA 3.44Å; D23-V25 WeakPolarHBondContact OD1-CB 3.34Å; D23-V25 PolarHBondContact OD1-N 3.2Å; V25-S28 PolarHBondContact O-N 2.88Å; V25-S28 PolarHBondContact O-OG 3.02Å; V25-R29 WeakPolarHBondContact O-CG 3.36Å; V25-R29 PolarHBondContact O-N 3.45Å
26L91.6Very high88.8Confident13 Ų1362.7 Ų62.77%0.06833%0.334CS..Hα-helixtrans-66.1-38.8177.2-64.2-179.4000112.1M20 D23 S28 R29 F30 L308 R311 V313M20-L26 HydrophobicContact CB-CB 4.41Å; M20-L26 HydrophobicContact CG-CB 4.22Å; M20-L26 HydrophobicContact CG-CD1 4.11Å; D23-L26 HydrophobicContact CB-CB 4.02Å; D23-L26 HydrophobicContact CB-CD1 3.92Å; D23-L26 HydrophobicContact CB-CG 4.03Å; D23-L26 PolarHBondContact O-N 2.88Å; D23-L26 PolarHBondContact OD1-N 3.3Å; L26-S28 VanDerWaalsContact C-N 3.28Å; L26-S28 PolarHBondContact O-N 3.44Å; L26-R29 PolarHBondContact O-N 2.91Å; L26-F30 HydrophobicContact CB-CD2 4.45Å; L26-F30 HydrophobicContact CD2-CD2 4.25Å; L26-F30 HydrophobicContact CD2-CE2 4.02Å; L26-F30 WeakPolarHBondContact O-CB 3.24Å; L26-F30 PolarHBondContact O-N 3.04Å; L26-L308 HydrophobicContact CD2-CD2 3.82Å; L26-R311 HydrophobicContact CD1-CB 4.38Å; L26-V313 HydrophobicContact CD1-CG2 3.6Å
27Q90.7Very high88.4Confident127 Ų12762.6 Ų62.659%0.59333%0.334SS*.Hα-helixtrans-59.7-38.4177.1-170-176.147.500112.3D23 R29D23-Q27 WeakPolarHBondContact O-CB 3.45Å; D23-Q27 PolarHBondContact O-N 3.18Å; Q27-R29 PolarHBondContact O-N 3.35Å
28S90.7Very high87.8Confident93 Ų9360.6 Ų60.665%0.6533%0.327SS*.Hα-helixtrans-71.8-17.3177.372.20000114.1P24 V25 L26P24-S28 PolarHBondContact O-N 2.83Å; P24-S28 VanDerWaalsContact O-N 3.13Å; V25-S28 PolarHBondContact O-N 2.88Å; V25-S28 PolarHBondContact O-OG 3.02Å; L26-S28 VanDerWaalsContact C-N 3.28Å; L26-S28 PolarHBondContact O-N 3.44Å
29R90.7Very high87Confident125 Ų12560.6 Ų60.647%0.47232%0.32SS..Hα-helixtrans-108.8-32.2-171.1-66.5-80.2178.4-179.10.3112.7V25 L26 Q27 Y229 S233 L234V25-R29 WeakPolarHBondContact O-CG 3.36Å; V25-R29 PolarHBondContact O-N 3.45Å; L26-R29 PolarHBondContact O-N 2.91Å; Q27-R29 PolarHBondContact O-N 3.35Å; R29-Y229 WeakPolarHBondContact O-CE2 3.41Å; R29-Y229 PolarHBondContact O-OH 3.45Å; R29-S233 WeakPolarHBondContact CD-O 3.29Å; R29-S233 PolarHBondContact NH1-O 3.32Å; R29-L234 HydrophobicContact CB-CD2 3.87Å; R29-L234 WeakPolarHBondContact O-CD2 3.48Å
30F91.3Very high85.7Confident17 Ų1760.9 Ų60.98%0.07533%0.326CS..  trans-95.7127.2-177.9-81.9-95.9000112.7M20 L26 F32 Y229 L234 H260 L308M20-F30 HydrophobicContact CE-CD1 3.48Å; M20-F30 VanDerWaalsContact CE-CD1 3.48Å; M20-F30 HydrophobicContact CE-CD2 3.94Å; M20-F30 HydrophobicContact CE-CE1 3.45Å; M20-F30 VanDerWaalsContact CE-CE1 3.45Å; M20-F30 HydrophobicContact CE-CE2 3.93Å; M20-F30 HydrophobicContact CE-CG 3.73Å; M20-F30 HydrophobicContact CE-CZ 3.68Å; M20-F30 HydrophobicContact SD-CB 3.69Å; M20-F30 HydrophobicContact SD-CD1 3.68Å; M20-F30 HydrophobicContact SD-CD2 3.94Å; M20-F30 HydrophobicContact SD-CE1 4.28Å; M20-F30 HydrophobicContact SD-CG 3.47Å; M20-F30 WeakPolarHBondContact SD-CG 3.38Å; L26-F30 HydrophobicContact CB-CD2 4.45Å; L26-F30 HydrophobicContact CD2-CD2 4.25Å; L26-F30 HydrophobicContact CD2-CE2 4.02Å; L26-F30 WeakPolarHBondContact O-CB 3.24Å; L26-F30 PolarHBondContact O-N 3.04Å; F30-F32 HydrophobicContact CB-CE2 4.18Å; F30-F32 HydrophobicContact CD1-CZ 4.5Å; F30-Y229 VanDerWaalsContact CA-OH 3.26Å; F30-Y229 WeakPolarHBondContact CA-OH 3.25Å; F30-L234 HydrophobicContact CD1-CD1 4.44Å; F30-L234 HydrophobicContact CD2-CD2 3.89Å; F30-L234 HydrophobicContact CE1-CD1 3.88Å; F30-L234 HydrophobicContact CE1-CD2 4.48Å; F30-L234 HydrophobicContact CE2-CD1 4.36Å; F30-L234 HydrophobicContact CE2-CD2 3.6Å; F30-L234 HydrophobicContact CG-CD2 4.45Å; F30-L234 HydrophobicContact CZ-CD1 3.84Å; F30-L234 HydrophobicContact CZ-CD2 3.93Å; F30-H260 AromaticContact CD1-CE1 3.67Å; F30-H260 AromaticContact CD1-NE2 3.66Å; F30-H260 AromaticContact CE1-CE1 3.68Å; F30-L308 HydrophobicContact CE2-CD2 4.09Å; F30-L308 HydrophobicContact CZ-CD1 4.36Å; F30-L308 HydrophobicContact CZ-CD2 4.16Å
31S90Very high84.4Confident35 Ų3563.3 Ų63.325%0.24535%0.352CS..  trans-123.6107.7175.6-175.90000111.3S33 Y229S31-S33 PolarHBondContact OG-OG 3.17Å; S31-Y229 PolarHBondContact N-OH 2.84Å
32F86.3Confident83.2Confident75 Ų7555.7 Ų55.733%0.32933%0.325SS..THydrogen-bonded Turntrans-86.3-6.2178.9-65.7-77.3000114L16 R17 M20 F30L16-F32 HydrophobicContact CD1-CE1 3.99Å; L16-F32 HydrophobicContact CD1-CZ 3.75Å; R17-F32 HydrophobicContact CG-CD1 4.28Å; R17-F32 HydrophobicContact CG-CE1 3.81Å; R17-F32 HydrophobicContact CG-CE2 4.12Å; R17-F32 HydrophobicContact CG-CZ 3.72Å; M20-F32 HydrophobicContact CE-CZ 4.22Å; M20-F32 HydrophobicContact SD-CE2 3.58Å; M20-F32 VanDerWaalsContact SD-CE2 3.58Å; M20-F32 HydrophobicContact SD-CZ 3.33Å; M20-F32 WeakPolarHBondContact SD-CZ 3.11Å; F30-F32 HydrophobicContact CB-CE2 4.18Å; F30-F32 HydrophobicContact CD1-CZ 4.5Å
33S83.9Confident81.9Confident108 Ų10852.3 Ų52.376%0.75530%0.302SS*.THydrogen-bonded Turntrans-84.7-13.9177.5580000112.9S31S31-S33 PolarHBondContact OG-OG 3.17Å
34L82.1Confident80.5Confident38 Ų3852.8 Ų52.820%0.19931%0.308CS..SBendtrans-74.3140178.8-69.2174.6000111.2V36 Y229L34-V36 PolarHBondContact O-N 3.38Å; L34-Y229 HydrophobicContact CD1-CD1 3.74Å; L34-Y229 HydrophobicContact CD1-CD2 3.58Å; L34-Y229 HydrophobicContact CD1-CE1 4.39Å; L34-Y229 HydrophobicContact CD1-CE2 4.28Å; L34-Y229 HydrophobicContact CD1-CG 3.3Å
35P82.2Confident79Confident33 Ų3358.9 Ų58.921%0.21432%0.318CS..  trans-69.3121.5174.827.2-32.3000110.6W39 H223 F226P35-W39 HydrophobicContact CB-CE3 4.41Å; P35-W39 HydrophobicContact CB-CH2 4Å; P35-W39 HydrophobicContact CB-CZ3 3.39Å; P35-W39 HydrophobicContact CG-CH2 4.35Å; P35-W39 HydrophobicContact CG-CZ3 4.01Å; P35-H223 VanDerWaalsContact O-CB 3.28Å; P35-H223 WeakPolarHBondContact O-CB 3.38Å; P35-F226 WeakPolarHBondContact O-CB 3.35Å
36V85.8Confident77.6Confident2 Ų258.9 Ų58.91%0.01232%0.322CS..SBendtrans-76-35.6177176.20000111.3L34 C87 L222 H223 F226 T257 H260 T261L34-V36 PolarHBondContact O-N 3.38Å; V36-C87 HydrophobicContact CB-CB 4.47Å; V36-C87 VanDerWaalsContact CB-SG 3.59Å; V36-C87 HydrophobicContact CG2-CB 4.31Å; V36-C87 VanDerWaalsContact CG2-SG 3.54Å; V36-C87 PolarHBondContact N-SG 2.99Å; V36-C87 VanDerWaalsContact N-SG 3.37Å; V36-L222 HydrophobicContact CG1-CD2 4.32Å; V36-H223 PolarHBondContact O-N 2.92Å; V36-F226 HydrophobicContact CG1-CD1 4.06Å; V36-F226 HydrophobicContact CG1-CE1 3.82Å; V36-F226 HydrophobicContact CG1-CZ 4.1Å; V36-F226 HydrophobicContact CG2-CD2 4.1Å; V36-F226 HydrophobicContact CG2-CE2 3.84Å; V36-F226 HydrophobicContact CG2-CZ 4.05Å; V36-T257 HydrophobicContact CG1-CG2 3.83Å; V36-H260 HydrophobicContact CG2-CB 3.74Å; V36-T261 HydrophobicContact CB-CG2 4.31Å; V36-T261 HydrophobicContact CG1-CG2 4.1Å; V36-T261 HydrophobicContact CG2-CG2 4.04Å
37L82.5Confident76.3Confident1 Ų160.1 Ų60.11%0.00533%0.332CS..BIsolated β-bridgetrans-114.5149.9-176.3-62.8-179.3000111.9M90 L91 R220 M221 L222L37-M90 HydrophobicContact CB-CE 3.43Å; L37-M90 VanDerWaalsContact CB-CE 3.43Å; L37-M90 HydrophobicContact CB-SD 3.87Å; L37-M90 HydrophobicContact CD1-CB 3.78Å; L37-M90 HydrophobicContact CD1-CE 3.95Å; L37-M90 HydrophobicContact CD1-SD 4.38Å; L37-M90 HydrophobicContact CG-CE 4.36Å; L37-L91 HydrophobicContact CD1-CD1 4.22Å; L37-L91 HydrophobicContact CD1-CD2 3.76Å; L37-L91 HydrophobicContact CD1-CG 3.69Å; L37-R220 HydrophobicContact CD1-CB 4.34Å; L37-R220 HydrophobicContact CD1-CG 4.24Å; L37-R220 HydrophobicContact CD2-CB 4.29Å; L37-M221 CarbonylContact C-O 3.58Å; L37-M221 VanDerWaalsContact CA-O 3.31Å; L37-M221 WeakPolarHBondContact CA-O 3.29Å; L37-M221 WeakPolarHBondContact CD2-O 3.48Å; L37-L222 HydrophobicContact CD2-CD2 3.9Å
38Q75.8Confident75Confident8 Ų856.5 Ų56.54%0.03731%0.313CS..  trans-76.2139.4170.8-166.871.435.700110.2S42 L75 M221 H223 P224Q38-S42 PolarHBondContact NE2-OG 3.33Å; Q38-L75 HydrophobicContact CB-CD1 4.42Å; Q38-L75 HydrophobicContact CB-CD2 4.43Å; Q38-L75 HydrophobicContact CG-CD1 3.83Å; Q38-M221 HydrophobicContact CB-CB 4.1Å; Q38-M221 HydrophobicContact CB-CG 4.21Å; Q38-M221 HydrophobicContact CB-SD 4.37Å; Q38-M221 HydrophobicContact CG-SD 4.46Å; Q38-M221 PolarHBondContact N-O 3.1Å; Q38-H223 PolarHBondContact OE1-CD2 3.21Å; Q38-P224 VanDerWaalsContact OE1-CD 3.26Å
39W70.1Confident73.7Confident32 Ų3255.5 Ų55.512%0.12130%0.302CS..  trans-141.6165.817177.4107.3000111.3P35 G41 S42 A84 M90P35-W39 HydrophobicContact CB-CE3 4.41Å; P35-W39 HydrophobicContact CB-CH2 4Å; P35-W39 HydrophobicContact CB-CZ3 3.39Å; P35-W39 HydrophobicContact CG-CH2 4.35Å; P35-W39 HydrophobicContact CG-CZ3 4.01Å; W39-G41 VanDerWaalsContact C-N 3.28Å; W39-G41 PolarHBondContact O-N 3Å; W39-S42 VanDerWaalsContact CZ3-CB 3.48Å; W39-S42 PolarHBondContact N-OG 3.24Å; W39-S42 PolarHBondContact O-N 3.11Å; W39-S42 VanDerWaalsContact O-N 3.08Å; W39-S42 PolarHBondContact O-OG 3.2Å; W39-A84 HydrophobicContact CH2-CB 3.65Å; W39-A84 HydrophobicContact CZ2-CB 3.35Å; W39-M90 HydrophobicContact CB-CE 3.98Å
40A63.6Low72.6Confident38 Ų3856.3 Ų56.331%0.31431%0.312SS..G310 helixtrans-54.4-40-176.200000113.9S42 W43 I76A40-S42 VanDerWaalsContact C-N 3.3Å; A40-S42 PolarHBondContact O-N 3.2Å; A40-W43 VanDerWaalsContact O-CB 3.23Å; A40-W43 WeakPolarHBondContact O-CB 3.31Å; A40-W43 PolarHBondContact O-N 2.89Å; A40-W43 VanDerWaalsContact O-N 3.12Å; A40-I76 HydrophobicContact CB-CG1 3.96Å
41G62.5Low71.3Confident55 Ų5556.8 Ų56.857%0.56732%0.315SS*.G310 helixtrans-72-17.7-179.100000115W39 W43W39-G41 VanDerWaalsContact C-N 3.28Å; W39-G41 PolarHBondContact O-N 3Å; G41-W43 PolarHBondContact O-N 3.46Å
42S63.3Low70Confident14 Ų1458.8 Ų58.810%0.09832%0.319CS..G310 helixtrans-79.3-2.4171.258.50000113.3Q38 W39 A40 S44Q38-S42 PolarHBondContact NE2-OG 3.33Å; W39-S42 VanDerWaalsContact CZ3-CB 3.48Å; W39-S42 PolarHBondContact N-OG 3.24Å; W39-S42 PolarHBondContact O-N 3.11Å; W39-S42 VanDerWaalsContact O-N 3.08Å; W39-S42 PolarHBondContact O-OG 3.2Å; A40-S42 VanDerWaalsContact C-N 3.3Å; A40-S42 PolarHBondContact O-N 3.2Å; S42-S44 PolarHBondContact O-N 2.82Å
43W60.9Low68.8Low70 Ų7059.6 Ų59.627%0.26533%0.327SS..  trans-91.298.5177.9-159.5-84.7000111.3A40 G41 W48 W60 T68 I72A40-W43 VanDerWaalsContact O-CB 3.23Å; A40-W43 WeakPolarHBondContact O-CB 3.31Å; A40-W43 PolarHBondContact O-N 2.89Å; A40-W43 VanDerWaalsContact O-N 3.12Å; G41-W43 PolarHBondContact O-N 3.46Å; W43-W48 AromaticContact CH2-CE3 3.42Å; W43-W48 HydrophobicContact CH2-CE3 3.42Å; W43-W48 VanDerWaalsContact CH2-CE3 3.42Å; W43-W48 HydrophobicContact CH2-CH2 4.38Å; W43-W48 AromaticContact CH2-CZ3 3.26Å; W43-W48 HydrophobicContact CH2-CZ3 3.26Å; W43-W48 HydrophobicContact CZ2-CD2 4.03Å; W43-W48 AromaticContact CZ2-CE3 3.13Å; W43-W48 HydrophobicContact CZ2-CE3 3.13Å; W43-W48 HydrophobicContact CZ2-CH2 4.29Å; W43-W48 AromaticContact CZ2-CZ3 3.32Å; W43-W48 HydrophobicContact CZ2-CZ3 3.32Å; W43-W48 HydrophobicContact CZ3-CE3 4.46Å; W43-W48 HydrophobicContact CZ3-CZ3 4.46Å; W43-W60 HydrophobicContact CE3-CZ2 4.45Å; W43-W60 HydrophobicContact CH2-CD2 4.17Å; W43-W60 HydrophobicContact CH2-CE3 4.22Å; W43-W60 HydrophobicContact CH2-CH2 4.2Å; W43-W60 HydrophobicContact CH2-CZ2 4.09Å; W43-W60 HydrophobicContact CH2-CZ3 4.25Å; W43-W60 HydrophobicContact CZ3-CD2 4.42Å; W43-W60 AromaticContact CZ3-CE2 3.88Å; W43-W60 HydrophobicContact CZ3-CE3 4.47Å; W43-W60 AromaticContact CZ3-CH2 3.66Å; W43-W60 HydrophobicContact CZ3-CH2 3.66Å; W43-W60 AromaticContact CZ3-CZ2 3.5Å; W43-W60 HydrophobicContact CZ3-CZ2 3.5Å; W43-W60 HydrophobicContact CZ3-CZ3 4.14Å; W43-T68 HydrophobicContact CH2-CG2 3.52Å; W43-T68 HydrophobicContact CZ2-CG2 3.09Å; W43-I72 HydrophobicContact CD2-CD1 4.07Å; W43-I72 HydrophobicContact CD2-CG1 4.2Å; W43-I72 HydrophobicContact CE3-CG1 4.4Å; W43-I72 HydrophobicContact CG-CD1 4.33Å; W43-I72 HydrophobicContact CZ2-CD1 4.11Å
44S63Low67.8Low40 Ų4061.3 Ų61.328%0.2832%0.317SS..  trans-124.4159172.278.70000111.2S42 S46 S47 W48S42-S44 PolarHBondContact O-N 2.82Å; S44-S46 PolarHBondContact O-N 3.5Å; S44-S46 PolarHBondContact OG-OG 2.87Å; S44-S47 PolarHBondContact O-N 2.87Å; S44-S47 WeakPolarHBondContact OG-CB 3.36Å; S44-S47 PolarHBondContact OG-N 2.83Å; S44-S47 PolarHBondContact OG-OG 3.35Å; S44-W48 WeakPolarHBondContact O-CB 3.15Å; S44-W48 PolarHBondContact O-N 3.49Å
45R59.8Low66.7Low227 Ų22760.3 Ų60.386%0.85731%0.314SS*.Hα-helixtrans-60.3-33176.2-164.8172.4-175.7174.10.6111.7T49R45-T49 WeakPolarHBondContact O-CB 2.99Å; R45-T49 PolarHBondContact O-N 3.17Å; R45-T49 PolarHBondContact O-OG1 3.28Å
46S64Low65.5Low86 Ų8659.1 Ų59.160%0.60131%0.306SS*.Hα-helixtrans-71.6-46174.951.80000112.1S44 W48 T49 Q50S44-S46 PolarHBondContact O-N 3.5Å; S44-S46 PolarHBondContact OG-OG 2.87Å; S46-W48 VanDerWaalsContact C-N 3.31Å; S46-W48 PolarHBondContact O-N 3.24Å; S46-T49 PolarHBondContact O-N 3.36Å; S46-T49 VanDerWaalsContact O-N 3.16Å; S46-Q50 PolarHBondContact O-N 2.85Å
47S64.3Low64.1Low39 Ų3959.2 Ų59.227%0.27331%0.307SS..Hα-helixtrans-58.9-41.9174.5-54.50000111.8S44 Q50 L51S44-S47 PolarHBondContact O-N 2.87Å; S44-S47 WeakPolarHBondContact OG-CB 3.36Å; S44-S47 PolarHBondContact OG-N 2.83Å; S44-S47 PolarHBondContact OG-OG 3.35Å; S47-Q50 PolarHBondContact O-N 2.88Å; S47-L51 WeakPolarHBondContact O-CB 3.31Å; S47-L51 VanDerWaalsContact O-CG 3.31Å; S47-L51 WeakPolarHBondContact O-CG 3.3Å; S47-L51 PolarHBondContact O-N 3.13Å; S47-L51 VanDerWaalsContact O-N 3.07Å
48W63Low62.8Low51 Ų5160.6 Ų60.619%0.19331%0.312CS..Hα-helixtrans-63.1-45.3174.5179.9-100000111.9W43 S44 S46 Q50 L51 K52 W60 T68W43-W48 AromaticContact CH2-CE3 3.42Å; W43-W48 HydrophobicContact CH2-CE3 3.42Å; W43-W48 VanDerWaalsContact CH2-CE3 3.42Å; W43-W48 HydrophobicContact CH2-CH2 4.38Å; W43-W48 AromaticContact CH2-CZ3 3.26Å; W43-W48 HydrophobicContact CH2-CZ3 3.26Å; W43-W48 HydrophobicContact CZ2-CD2 4.03Å; W43-W48 AromaticContact CZ2-CE3 3.13Å; W43-W48 HydrophobicContact CZ2-CE3 3.13Å; W43-W48 HydrophobicContact CZ2-CH2 4.29Å; W43-W48 AromaticContact CZ2-CZ3 3.32Å; W43-W48 HydrophobicContact CZ2-CZ3 3.32Å; W43-W48 HydrophobicContact CZ3-CE3 4.46Å; W43-W48 HydrophobicContact CZ3-CZ3 4.46Å; S44-W48 WeakPolarHBondContact O-CB 3.15Å; S44-W48 PolarHBondContact O-N 3.49Å; S46-W48 VanDerWaalsContact C-N 3.31Å; S46-W48 PolarHBondContact O-N 3.24Å; W48-Q50 VanDerWaalsContact C-N 3.3Å; W48-Q50 PolarHBondContact O-N 2.9Å; W48-L51 CarbonylContact O-C 3.41Å; W48-L51 PolarHBondContact O-N 2.72Å; W48-L51 VanDerWaalsContact O-N 3.16Å; W48-K52 WeakPolarHBondContact O-CB 3.44Å; W48-K52 PolarHBondContact O-N 3.31Å; W48-W60 HydrophobicContact CE3-CB 4.1Å; W48-W60 AromaticContact CE3-CD1 3.59Å; W48-W60 HydrophobicContact CE3-CD2 4.23Å; W48-W60 AromaticContact CE3-CG 3.72Å; W48-W60 HydrophobicContact CE3-CG 3.72Å; W48-W60 HydrophobicContact CH2-CB 3.62Å; W48-W60 HydrophobicContact CH2-CG 4.01Å; W48-W60 HydrophobicContact CZ2-CB 4.41Å; W48-W60 HydrophobicContact CZ3-CB 3.4Å; W48-W60 VanDerWaalsContact CZ3-CB 3.4Å; W48-W60 AromaticContact CZ3-CD1 3.64Å; W48-W60 AromaticContact CZ3-CD2 3.62Å; W48-W60 HydrophobicContact CZ3-CD2 3.62Å; W48-W60 HydrophobicContact CZ3-CE3 4.08Å; W48-W60 AromaticContact CZ3-CG 3.24Å; W48-W60 HydrophobicContact CZ3-CG 3.24Å; W48-T68 HydrophobicContact CH2-CG2 3.96Å; W48-T68 HydrophobicContact CZ3-CG2 3.96Å
49T63.6Low62.1Low71 Ų7160.6 Ų60.644%0.43631%0.313SS..Hα-helixtrans-63.2-37179.3-580000111.9R45 S46 L51 K52R45-T49 WeakPolarHBondContact O-CB 2.99Å; R45-T49 PolarHBondContact O-N 3.17Å; R45-T49 PolarHBondContact O-OG1 3.28Å; S46-T49 PolarHBondContact O-N 3.36Å; S46-T49 VanDerWaalsContact O-N 3.16Å; T49-L51 VanDerWaalsContact C-N 3.34Å; T49-K52 WeakPolarHBondContact O-CG 3.07Å
50Q66.3Low61.6Low143 Ų14359.9 Ų59.967%0.66831%0.31SS*.Hα-helixtrans-69.3-34.2175.8-167.317824.700112.4S46 S47 W48S46-Q50 PolarHBondContact O-N 2.85Å; S47-Q50 PolarHBondContact O-N 2.88Å; W48-Q50 VanDerWaalsContact C-N 3.3Å; W48-Q50 PolarHBondContact O-N 2.9Å
51L65Low61.2Low26 Ų2662.8 Ų62.814%0.13632%0.316CS..THydrogen-bonded Turntrans-99.710.4-175.7-64.5174.6000113.4S47 W48 T49 S59 W60S47-L51 WeakPolarHBondContact O-CB 3.31Å; S47-L51 VanDerWaalsContact O-CG 3.31Å; S47-L51 WeakPolarHBondContact O-CG 3.3Å; S47-L51 PolarHBondContact O-N 3.13Å; S47-L51 VanDerWaalsContact O-N 3.07Å; W48-L51 CarbonylContact O-C 3.41Å; W48-L51 PolarHBondContact O-N 2.72Å; W48-L51 VanDerWaalsContact O-N 3.16Å; T49-L51 VanDerWaalsContact C-N 3.34Å; L51-S59 CarbonylContact O-C 3.48Å; L51-S59 WeakPolarHBondContact O-CA 3.4Å; L51-S59 WeakPolarHBondContact O-CB 3.4Å; L51-S59 PolarHBondContact O-OG 2.78Å; L51-W60 VanDerWaalsContact CB-CD1 3.47Å; L51-W60 PolarHBondContact O-N 2.01Å
52K61.8Low60.6Low78 Ų7862.6 Ų62.634%0.33931%0.313SS..SBendtrans-92.1-15.2179.874.6-177.4175.360.50114.4W48 T49 K61W48-K52 WeakPolarHBondContact O-CB 3.44Å; W48-K52 PolarHBondContact O-N 3.31Å; T49-K52 WeakPolarHBondContact O-CG 3.07Å; K52-K61 VanDerWaalsContact O-CA 3.25Å; K52-K61 WeakPolarHBondContact O-CA 3.49Å; K52-K61 WeakPolarHBondContact O-CB 3.41Å; K52-K61 WeakPolarHBondContact O-CG 3.48Å
53D61Low60.1Low92 Ų9263.9 Ų63.949%0.49232%0.319SS..SBendtrans-106-5.7-167-66.5-40.2000115.3K61D53-K61 WeakPolarHBondContact O-CD 3.25Å; D53-K61 WeakPolarHBondContact O-CE 3.46Å; D53-K61 PolarHBondContact O-NZ 3.39Å
54R62.7Low59.7Low144 Ų14462.7 Ų62.754%0.54332%0.32SS..SBendtrans-100.1158178-58.8-177.4175.5-169.5-3.2111.7S59 K61R54-S59 PolarHBondContact N-OG 3.23Å; R54-S59 WeakPolarHBondContact O-CB 3.44Å; R54-S59 PolarHBondContact O-OG 2.91Å; R54-K61 WeakPolarHBondContact O-CB 3.39Å; R54-K61 WeakPolarHBondContact O-CD 3.15Å
55A59.3Low59Low16 Ų1666.2 Ų66.213%0.13234%0.34CS..PPolyproline II helixtrans-70.9150172.800000110.2Y58A55-Y58 WeakPolarHBondContact O-CB 3.29Å; A55-Y58 WeakPolarHBondContact O-CD2 3.24Å; A55-Y58 PolarHBondContact O-N 2.89Å
56P58.3Low58.3Low9 Ų960 Ų606%0.05833%0.332CS..THydrogen-bonded Turntrans-49151.6157.6-3031.4000112.4Y58 S59 T181P56-Y58 VanDerWaalsContact CA-N 3.27Å; P56-S59 WeakPolarHBondContact CG-O 3.12Å; P56-T181 VanDerWaalsContact CD-OG1 3.28Å; P56-T181 WeakPolarHBondContact CD-OG1 3.35Å; P56-T181 HydrophobicContact CG-CG2 3.46Å; P56-T181 VanDerWaalsContact CG-CG2 3.46Å
57P55.3Low57.5Low4 Ų457.5 Ų57.53%0.02631%0.312CS..THydrogen-bonded Turncis-71.9-0.31.320.1-27.5000116.8S59 P178 S179 I227 M250P57-S59 VanDerWaalsContact C-N 3.28Å; P57-S59 PolarHBondContact O-N 3.26Å; P57-P178 WeakPolarHBondContact CA-O 3.24Å; P57-P178 WeakPolarHBondContact CB-O 3.47Å; P57-S179 WeakPolarHBondContact CD-O 3.33Å; P57-I227 HydrophobicContact CB-CD1 4.36Å; P57-I227 HydrophobicContact CB-CG2 4.11Å; P57-I227 HydrophobicContact CG-CG2 4.15Å; P57-M250 HydrophobicContact CG-CB 4.46Å; P57-M250 HydrophobicContact CG-CG 4.19Å
58Y56.2Low56.8Low29 Ų2956.5 Ų56.511%0.11430%0.304CS..SBendtrans-83-1-165.1-40.8-57.5000114.5A55 P56 M231 Y249A55-Y58 WeakPolarHBondContact O-CB 3.29Å; A55-Y58 WeakPolarHBondContact O-CD2 3.24Å; A55-Y58 PolarHBondContact O-N 2.89Å; P56-Y58 VanDerWaalsContact CA-N 3.27Å; Y58-M231 HydrophobicContact CD1-SD 4.42Å; Y58-M231 HydrophobicContact CE1-CE 3.49Å; Y58-M231 VanDerWaalsContact CE1-CE 3.49Å; Y58-M231 HydrophobicContact CE1-SD 3.29Å; Y58-M231 WeakPolarHBondContact CE1-SD 3.46Å; Y58-M231 WeakPolarHBondContact OH-CE 3.15Å; Y58-M231 PolarHBondContact OH-SD 2.62Å; Y58-Y249 PolarHBondContact OH-O 2.84Å
59S60.8Low56.1Low8 Ų857.8 Ų57.86%0.05632%0.319CS..  trans-177.7166.8-159.5155.40000112.7L51 R54 P56 P57 K61L51-S59 CarbonylContact O-C 3.48Å; L51-S59 WeakPolarHBondContact O-CA 3.4Å; L51-S59 WeakPolarHBondContact O-CB 3.4Å; L51-S59 PolarHBondContact O-OG 2.78Å; R54-S59 PolarHBondContact N-OG 3.23Å; R54-S59 WeakPolarHBondContact O-CB 3.44Å; R54-S59 PolarHBondContact O-OG 2.91Å; P56-S59 WeakPolarHBondContact CG-O 3.12Å; P57-S59 VanDerWaalsContact C-N 3.28Å; P57-S59 PolarHBondContact O-N 3.26Å; S59-K61 PolarHBondContact OG-N 3.11Å
60W58.3Low55.3Low17 Ų1759.2 Ų59.26%0.06432%0.324CS..  trans-91.811175-46.496.1000114W43 W48 L51 G62 L63 V71 M221 P224W43-W60 HydrophobicContact CE3-CZ2 4.45Å; W43-W60 HydrophobicContact CH2-CD2 4.17Å; W43-W60 HydrophobicContact CH2-CE3 4.22Å; W43-W60 HydrophobicContact CH2-CH2 4.2Å; W43-W60 HydrophobicContact CH2-CZ2 4.09Å; W43-W60 HydrophobicContact CH2-CZ3 4.25Å; W43-W60 HydrophobicContact CZ3-CD2 4.42Å; W43-W60 AromaticContact CZ3-CE2 3.88Å; W43-W60 HydrophobicContact CZ3-CE3 4.47Å; W43-W60 AromaticContact CZ3-CH2 3.66Å; W43-W60 HydrophobicContact CZ3-CH2 3.66Å; W43-W60 AromaticContact CZ3-CZ2 3.5Å; W43-W60 HydrophobicContact CZ3-CZ2 3.5Å; W43-W60 HydrophobicContact CZ3-CZ3 4.14Å; W48-W60 HydrophobicContact CE3-CB 4.1Å; W48-W60 AromaticContact CE3-CD1 3.59Å; W48-W60 HydrophobicContact CE3-CD2 4.23Å; W48-W60 AromaticContact CE3-CG 3.72Å; W48-W60 HydrophobicContact CE3-CG 3.72Å; W48-W60 HydrophobicContact CH2-CB 3.62Å; W48-W60 HydrophobicContact CH2-CG 4.01Å; W48-W60 HydrophobicContact CZ2-CB 4.41Å; W48-W60 HydrophobicContact CZ3-CB 3.4Å; W48-W60 VanDerWaalsContact CZ3-CB 3.4Å; W48-W60 AromaticContact CZ3-CD1 3.64Å; W48-W60 AromaticContact CZ3-CD2 3.62Å; W48-W60 HydrophobicContact CZ3-CD2 3.62Å; W48-W60 HydrophobicContact CZ3-CE3 4.08Å; W48-W60 AromaticContact CZ3-CG 3.24Å; W48-W60 HydrophobicContact CZ3-CG 3.24Å; L51-W60 VanDerWaalsContact CB-CD1 3.47Å; L51-W60 PolarHBondContact O-N 2.01Å; W60-G62 PolarHBondContact O-N 2.92Å; W60-L63 HydrophobicContact CB-CD1 3.91Å; W60-L63 HydrophobicContact CD2-CD1 4.24Å; W60-L63 HydrophobicContact CE3-CD1 3.43Å; W60-L63 VanDerWaalsContact CE3-CD1 3.43Å; W60-L63 HydrophobicContact CG-CD1 4.47Å; W60-L63 HydrophobicContact CZ3-CD1 4.3Å; W60-L63 WeakPolarHBondContact O-CB 3.24Å; W60-L63 PolarHBondContact O-N 2.79Å; W60-V71 HydrophobicContact CZ3-CG1 4.28Å; W60-M221 HydrophobicContact CH2-CE 3.4Å; W60-M221 HydrophobicContact CH2-SD 3.92Å; W60-M221 HydrophobicContact CZ2-CE 4.41Å; W60-M221 HydrophobicContact CZ3-CE 3.69Å; W60-M221 HydrophobicContact CZ3-SD 4.45Å; W60-P224 HydrophobicContact CZ2-CG 3.99Å
61K55.2Low54.6Low100 Ų10053.7 Ų53.744%0.43530%0.3SS..THydrogen-bonded Turntrans-56.3125-175-172.8179.5-164.1161.50111.4K52 D53 R54 S59 T181K52-K61 VanDerWaalsContact O-CA 3.25Å; K52-K61 WeakPolarHBondContact O-CA 3.49Å; K52-K61 WeakPolarHBondContact O-CB 3.41Å; K52-K61 WeakPolarHBondContact O-CG 3.48Å; D53-K61 WeakPolarHBondContact O-CD 3.25Å; D53-K61 WeakPolarHBondContact O-CE 3.46Å; D53-K61 PolarHBondContact O-NZ 3.39Å; R54-K61 WeakPolarHBondContact O-CB 3.39Å; R54-K61 WeakPolarHBondContact O-CD 3.15Å; S59-K61 PolarHBondContact OG-N 3.11Å; K61-T181 WeakPolarHBondContact O-CG2 3.34Å
62G51.5Low54Low50 Ų5054.6 Ų54.652%0.51531%0.305SS..THydrogen-bonded Turntrans86.2-0-179.600000114.9W60 W184W60-G62 PolarHBondContact O-N 2.92Å; G62-W184 WeakPolarHBondContact O-CB 3.35Å
63L53.1Low53.3Low42 Ų4257.9 Ų57.922%0.2232%0.319CS..  trans-74.8130.3169.4-75.1167.8000110.5W60 V65 W184W60-L63 HydrophobicContact CB-CD1 3.91Å; W60-L63 HydrophobicContact CD2-CD1 4.24Å; W60-L63 HydrophobicContact CE3-CD1 3.43Å; W60-L63 VanDerWaalsContact CE3-CD1 3.43Å; W60-L63 HydrophobicContact CG-CD1 4.47Å; W60-L63 HydrophobicContact CZ3-CD1 4.3Å; W60-L63 WeakPolarHBondContact O-CB 3.24Å; W60-L63 PolarHBondContact O-N 2.79Å; L63-V65 PolarHBondContact O-N 3.45Å; L63-W184 HydrophobicContact CD2-CD2 4.48Å; L63-W184 VanDerWaalsContact CD2-CE2 3.47Å; L63-W184 HydrophobicContact CD2-CZ2 3.55Å
64P51.8Low52.7Low44 Ų4456.5 Ų56.529%0.28631%0.311SS..  trans-61.9136173.3-15.226.9000109.8S66 V67 T68 W184P64-S66 WeakPolarHBondContact CB-OG 3.44Å; P64-S66 PolarHBondContact O-N 3.23Å; P64-V67 HydrophobicContact CB-CG2 4.05Å; P64-V67 HydrophobicContact CG-CG2 3.85Å; P64-V67 PolarHBondContact O-N 3Å; P64-T68 PolarHBondContact O-OG1 3.26Å; P64-W184 HydrophobicContact CG-CE3 4.11Å; P64-W184 HydrophobicContact CG-CH2 4.28Å; P64-W184 HydrophobicContact CG-CZ3 3.8Å
65V48.9Very low52.1Low115 Ų11551 Ų5170%0.69729%0.293SS*.THydrogen-bonded Turntrans-55.4-22.5175.21800000111.8L63 T68 P69L63-V65 PolarHBondContact O-N 3.45Å; V65-T68 WeakPolarHBondContact O-CB 3.39Å; V65-T68 PolarHBondContact O-OG1 2.75Å; V65-P69 WeakPolarHBondContact O-CD 3.34Å
66S44.8Very low51.6Low97 Ų9754.6 Ų54.668%0.67831%0.309SS*.THydrogen-bonded Turntrans-78.7-16.9177.353.90000115.6P64 P69P64-S66 WeakPolarHBondContact CB-OG 3.44Å; P64-S66 PolarHBondContact O-N 3.23Å; S66-P69 WeakPolarHBondContact O-CD 3.44Å
67V46.8Very low51Low33 Ų3356.5 Ų56.520%0.232%0.322CS..THydrogen-bonded Turntrans-89.4-22.6176.2-177.10000111.1P64 L70 V71 W184P64-V67 HydrophobicContact CB-CG2 4.05Å; P64-V67 HydrophobicContact CG-CG2 3.85Å; P64-V67 PolarHBondContact O-N 3Å; V67-L70 PolarHBondContact O-N 2.87Å; V67-L70 VanDerWaalsContact O-N 3.16Å; V67-V71 HydrophobicContact CG1-CG2 4.31Å; V67-V71 PolarHBondContact O-N 3.28Å; V67-V71 VanDerWaalsContact O-N 3.16Å; V67-W184 HydrophobicContact CG2-CH2 4.27Å
68T49.5Very low50.4Low17 Ų1765.9 Ų65.910%0.10436%0.362CS..Hα-helixtrans-55-43.9179.1-43.50000114.2W43 W48 P64 V65 L70 V71 I72W43-T68 HydrophobicContact CH2-CG2 3.52Å; W43-T68 HydrophobicContact CZ2-CG2 3.09Å; W48-T68 HydrophobicContact CH2-CG2 3.96Å; W48-T68 HydrophobicContact CZ3-CG2 3.96Å; P64-T68 PolarHBondContact O-OG1 3.26Å; V65-T68 WeakPolarHBondContact O-CB 3.39Å; V65-T68 PolarHBondContact O-OG1 2.75Å; T68-L70 VanDerWaalsContact C-N 3.29Å; T68-L70 PolarHBondContact O-N 3.18Å; T68-V71 PolarHBondContact O-N 3.3Å; T68-I72 HydrophobicContact CG2-CD1 3.95Å; T68-I72 WeakPolarHBondContact O-CB 3.17Å; T68-I72 WeakPolarHBondContact O-CD1 3.47Å; T68-I72 WeakPolarHBondContact O-CG1 3.49Å; T68-I72 PolarHBondContact O-N 3.36Å
69P47.3Very low49.9Very low78 Ų7867.5 Ų67.551%0.50638%0.376SS..Hα-helixtrans-67.9-27.6178.8-18.433.3000113V65 S66 F73V65-P69 WeakPolarHBondContact O-CD 3.34Å; S66-P69 WeakPolarHBondContact O-CD 3.44Å; P69-F73 VanDerWaalsContact O-CB 3.27Å; P69-F73 WeakPolarHBondContact O-CB 3.42Å; P69-F73 PolarHBondContact O-N 3.41Å
70L47.8Very low48.9Very low101 Ų10175.7 Ų75.753%0.52942%0.419SS..Hα-helixtrans-79-37179.6-157.482.3000111.8V67 T68 I72 F73 L74V67-L70 PolarHBondContact O-N 2.87Å; V67-L70 VanDerWaalsContact O-N 3.16Å; T68-L70 VanDerWaalsContact C-N 3.29Å; T68-L70 PolarHBondContact O-N 3.18Å; L70-I72 VanDerWaalsContact C-N 3.34Å; L70-F73 WeakPolarHBondContact O-CB 3.3Å; L70-F73 PolarHBondContact O-N 3.4Å; L70-L74 WeakPolarHBondContact O-CG 3.42Å; L70-L74 PolarHBondContact O-N 2.78Å
71V52.3Low48.3Very low28 Ų2877 Ų7717%0.1743%0.433CS..Hα-helixtrans-65-41.1168.9174.40000110.3W60 V67 T68 F73 L74 L75 M221W60-V71 HydrophobicContact CZ3-CG1 4.28Å; V67-V71 HydrophobicContact CG1-CG2 4.31Å; V67-V71 PolarHBondContact O-N 3.28Å; V67-V71 VanDerWaalsContact O-N 3.16Å; T68-V71 PolarHBondContact O-N 3.3Å; V71-F73 VanDerWaalsContact C-N 3.34Å; V71-L74 PolarHBondContact O-N 3.07Å; V71-L75 HydrophobicContact CG1-CD1 3.92Å; V71-L75 WeakPolarHBondContact O-CD1 3.33Å; V71-L75 WeakPolarHBondContact O-CG 3.47Å; V71-L75 PolarHBondContact O-N 3.18Å; V71-M221 HydrophobicContact CG1-SD 4.24Å
72I50.6Low47.7Very low45 Ų4578.2 Ų78.223%0.23145%0.454CS..Hα-helixtrans-61.6-41.5171.7-71.4166.7000110.8W43 T68 L70 L74 L75 I76W43-I72 HydrophobicContact CD2-CD1 4.07Å; W43-I72 HydrophobicContact CD2-CG1 4.2Å; W43-I72 HydrophobicContact CE3-CG1 4.4Å; W43-I72 HydrophobicContact CG-CD1 4.33Å; W43-I72 HydrophobicContact CZ2-CD1 4.11Å; T68-I72 HydrophobicContact CG2-CD1 3.95Å; T68-I72 WeakPolarHBondContact O-CB 3.17Å; T68-I72 WeakPolarHBondContact O-CD1 3.47Å; T68-I72 WeakPolarHBondContact O-CG1 3.49Å; T68-I72 PolarHBondContact O-N 3.36Å; L70-I72 VanDerWaalsContact C-N 3.34Å; I72-L74 PolarHBondContact O-N 3.27Å; I72-L75 PolarHBondContact O-N 3.47Å; I72-L75 VanDerWaalsContact O-N 3.08Å; I72-I76 HydrophobicContact CG2-CD1 3.52Å; I72-I76 HydrophobicContact CG2-CG1 4.28Å; I72-I76 WeakPolarHBondContact O-CD1 3.46Å; I72-I76 VanDerWaalsContact O-CG1 3.25Å; I72-I76 WeakPolarHBondContact O-CG1 3.48Å; I72-I76 PolarHBondContact O-N 3.09Å; I72-I76 VanDerWaalsContact O-N 3.13Å
73F47.8Very low47.6Very low146 Ų14683.1 Ų83.164%0.6446%0.464SS*.Hα-helixtrans-63.7-35.8177.5-169.5-96.9000113.1P69 L70 V71 L75P69-F73 VanDerWaalsContact O-CB 3.27Å; P69-F73 WeakPolarHBondContact O-CB 3.42Å; P69-F73 PolarHBondContact O-N 3.41Å; L70-F73 WeakPolarHBondContact O-CB 3.3Å; L70-F73 PolarHBondContact O-N 3.4Å; V71-F73 VanDerWaalsContact C-N 3.34Å; F73-L75 VanDerWaalsContact C-N 3.29Å; F73-L75 PolarHBondContact O-N 2.92Å
74L48.1Very low47.4Very low63 Ų6384.1 Ų84.133%0.3348%0.478SS..Hα-helixtrans-71.6-20.6173.2-70.8168.2000113.4L70 V71 I72L70-L74 WeakPolarHBondContact O-CG 3.42Å; L70-L74 PolarHBondContact O-N 2.78Å; V71-L74 PolarHBondContact O-N 3.07Å; I72-L74 PolarHBondContact O-N 3.27Å
75L50.5Low47.4Very low29 Ų2983.2 Ų83.215%0.15247%0.472CS..Hα-helixtrans-97.7-11.3-176.9-67.8169.6000113.9Q38 V71 I72 F73 S77 M221Q38-L75 HydrophobicContact CB-CD1 4.42Å; Q38-L75 HydrophobicContact CB-CD2 4.43Å; Q38-L75 HydrophobicContact CG-CD1 3.83Å; V71-L75 HydrophobicContact CG1-CD1 3.92Å; V71-L75 WeakPolarHBondContact O-CD1 3.33Å; V71-L75 WeakPolarHBondContact O-CG 3.47Å; V71-L75 PolarHBondContact O-N 3.18Å; I72-L75 PolarHBondContact O-N 3.47Å; I72-L75 VanDerWaalsContact O-N 3.08Å; F73-L75 VanDerWaalsContact C-N 3.29Å; F73-L75 PolarHBondContact O-N 2.92Å; L75-S77 VanDerWaalsContact C-N 3.28Å; L75-S77 PolarHBondContact O-N 3.37Å; L75-M221 HydrophobicContact CD1-SD 4.22Å; L75-M221 HydrophobicContact CD2-CB 3.78Å
76I49Very low47.7Very low92 Ų9280.5 Ų80.547%0.47246%0.458SS..  trans-91.365.5176.4-56.7157.6000109A40 I72A40-I76 HydrophobicContact CB-CG1 3.96Å; I72-I76 HydrophobicContact CG2-CD1 3.52Å; I72-I76 HydrophobicContact CG2-CG1 4.28Å; I72-I76 WeakPolarHBondContact O-CD1 3.46Å; I72-I76 VanDerWaalsContact O-CG1 3.25Å; I72-I76 WeakPolarHBondContact O-CG1 3.48Å; I72-I76 PolarHBondContact O-N 3.09Å; I72-I76 VanDerWaalsContact O-N 3.13Å
77S44.9Very low47.9Very low49 Ų4977 Ų7734%0.34343%0.434SS..SBendtrans-69.4125.3145.6173.20000105.8L75 T79L75-S77 VanDerWaalsContact C-N 3.28Å; L75-S77 PolarHBondContact O-N 3.37Å; S77-T79 PolarHBondContact O-N 2.83Å
78K43.8Very low48.3Very low200 Ų20078.3 Ų78.387%0.8744%0.436SS*.SBendtrans-41.390.5-173.2-67.7-179175.8179.10113.7
79T44.5Very low48.5Very low64 Ų6482.5 Ų82.539%0.39346%0.455SS..  trans-12788.1158.459.10000106.8S77 A81S77-T79 PolarHBondContact O-N 2.83Å; T79-A81 PolarHBondContact O-N 3.23Å
80N40.1Very low48.7Very low180 Ų18080 Ų8096%0.96344%0.437SS*.  trans-6652154.9-73.5-15.3000108.9
81A46.3Very low49.2Very low43 Ų4376.1 Ų76.136%0.35542%0.417SS..  trans-98.5113.7-178.600000107.3T79 Q83T79-A81 PolarHBondContact O-N 3.23Å; A81-Q83 PolarHBondContact O-N 3.02Å; A81-Q83 VanDerWaalsContact O-N 3.08Å
82S43.1Very low49.6Very low126 Ų12675.8 Ų75.888%0.88141%0.413SS*.SBendtrans-65.23170.543.50000113.3
83Q48.2Very low49.7Very low154 Ų15480 Ų8072%0.7244%0.441SS*.SBendtrans-138.9150-178.6-63.8-178.78.300110.7A81 P85A81-Q83 PolarHBondContact O-N 3.02Å; A81-Q83 VanDerWaalsContact O-N 3.08Å; Q83-P85 WeakPolarHBondContact O-CD 3.48Å
84A48.6Very low49.7Very low62 Ų6277.2 Ų77.251%0.51243%0.433SS..PPolyproline II helixtrans-61.4118.3173.500000109.2W39W39-A84 HydrophobicContact CH2-CB 3.65Å; W39-A84 HydrophobicContact CZ2-CB 3.35Å
85P52.3Low49.8Very low25 Ų2577 Ų7716%0.16244%0.437CS..PPolyproline II helixtrans-60.9144.4173.325.3-32.6000109.2Q83 Q89 M90Q83-P85 WeakPolarHBondContact O-CD 3.48Å; P85-Q89 HydrophobicContact CB-CB 4.34Å; P85-M90 HydrophobicContact CB-CG 3.85Å; P85-M90 HydrophobicContact CG-CG 3.48Å; P85-M90 VanDerWaalsContact CG-CG 3.48Å; P85-M90 HydrophobicContact CG-SD 3.66Å
86S54.4Low49.9Very low59 Ų5981.5 Ų81.541%0.41347%0.468SS..PPolyproline II helixtrans-61.3147.8175.476.30000109.6K88 Q89 M90S86-K88 PolarHBondContact O-N 3.37Å; S86-K88 VanDerWaalsContact O-N 3.12Å; S86-Q89 WeakPolarHBondContact O-CA 3.27Å; S86-Q89 VanDerWaalsContact O-CB 3.31Å; S86-Q89 WeakPolarHBondContact O-CB 3.42Å; S86-Q89 PolarHBondContact O-N 3.24Å; S86-Q89 PolarHBondContact OG-N 3.39Å; S86-M90 PolarHBondContact O-N 3.37Å; S86-M90 VanDerWaalsContact O-N 3.09Å
87C50.5Low50.3Low24 Ų2481.1 Ų81.116%0.16249%0.487CS..Hα-helixtrans-60.4-26.3178.6-68.80000112.1V36 L91 T261V36-C87 HydrophobicContact CB-CB 4.47Å; V36-C87 VanDerWaalsContact CB-SG 3.59Å; V36-C87 HydrophobicContact CG2-CB 4.31Å; V36-C87 VanDerWaalsContact CG2-SG 3.54Å; V36-C87 PolarHBondContact N-SG 2.99Å; V36-C87 VanDerWaalsContact N-SG 3.37Å; C87-L91 PolarHBondContact O-N 2.86Å; C87-T261 HydrophobicContact CB-CG2 4Å
88K53.9Low51.6Low59 Ų5985.9 Ų85.926%0.25750%0.497SS..Hα-helixtrans-61.1-48.8169.8-146.2175.2179.2163.40109.7S86 M90 L92 R98 D263S86-K88 PolarHBondContact O-N 3.37Å; S86-K88 VanDerWaalsContact O-N 3.12Å; K88-M90 PolarHBondContact O-N 2.9Å; K88-L92 HydrophobicContact CB-CD1 4.39Å; K88-L92 HydrophobicContact CD-CD1 4.4Å; K88-L92 HydrophobicContact CG-CB 4.35Å; K88-L92 HydrophobicContact CG-CD1 3.4Å; K88-L92 VanDerWaalsContact CG-CD1 3.4Å; K88-L92 HydrophobicContact CG-CG 4.3Å; K88-L92 CarbonylContact O-C 3.56Å; K88-L92 VanDerWaalsContact O-CA 3.25Å; K88-L92 WeakPolarHBondContact O-CA 3.41Å; K88-L92 WeakPolarHBondContact O-CB 2.98Å; K88-L92 WeakPolarHBondContact O-CG 3.33Å; K88-L92 PolarHBondContact O-N 2.94Å; K88-L92 VanDerWaalsContact O-O 3.06Å; K88-R98 PolarHBondContact NZ-O 3.36Å; K88-D263 IonicContact NZ-OD2 3.18Å; K88-D263 PolarHBondContact NZ-OD2 2.78Å
89Q54.3Low53.5Low106 Ų10678.5 Ų78.550%0.49547%0.471SS..Hα-helixtrans-63.8-32.2177.5-108.91612.400115.7P85 S86 D94P85-Q89 HydrophobicContact CB-CB 4.34Å; S86-Q89 WeakPolarHBondContact O-CA 3.27Å; S86-Q89 VanDerWaalsContact O-CB 3.31Å; S86-Q89 WeakPolarHBondContact O-CB 3.42Å; S86-Q89 PolarHBondContact O-N 3.24Å; S86-Q89 PolarHBondContact OG-N 3.39Å; Q89-D94 VanDerWaalsContact CG-OD2 3.3Å; Q89-D94 WeakPolarHBondContact CG-OD2 3.31Å; Q89-D94 PolarHBondContact NE2-OD2 3.39Å
90M52Low55.6Low26 Ų2676.1 Ų76.113%0.12846%0.456CS..Hα-helixtrans-79.5-25.9-177.6-71.7-175.674.100114.2L37 W39 P85 S86 K88 R220L37-M90 HydrophobicContact CB-CE 3.43Å; L37-M90 VanDerWaalsContact CB-CE 3.43Å; L37-M90 HydrophobicContact CB-SD 3.87Å; L37-M90 HydrophobicContact CD1-CB 3.78Å; L37-M90 HydrophobicContact CD1-CE 3.95Å; L37-M90 HydrophobicContact CD1-SD 4.38Å; L37-M90 HydrophobicContact CG-CE 4.36Å; W39-M90 HydrophobicContact CB-CE 3.98Å; P85-M90 HydrophobicContact CB-CG 3.85Å; P85-M90 HydrophobicContact CG-CG 3.48Å; P85-M90 VanDerWaalsContact CG-CG 3.48Å; P85-M90 HydrophobicContact CG-SD 3.66Å; S86-M90 PolarHBondContact O-N 3.37Å; S86-M90 VanDerWaalsContact O-N 3.09Å; K88-M90 PolarHBondContact O-N 2.9Å; M90-R220 PolarHBondContact O-NE 2.88Å; M90-R220 VanDerWaalsContact O-NE 3.1Å; M90-R220 PolarHBondContact O-NH2 3.2Å
91L57.5Low58.2Low19 Ų1971.6 Ų71.610%0.09943%0.425CS..Hα-helixtrans-109.5-28.5-178.5-71167000112.5L37 C87 F147 I175 T261L37-L91 HydrophobicContact CD1-CD1 4.22Å; L37-L91 HydrophobicContact CD1-CD2 3.76Å; L37-L91 HydrophobicContact CD1-CG 3.69Å; C87-L91 PolarHBondContact O-N 2.86Å; L91-F147 HydrophobicContact CB-CE1 4.35Å; L91-F147 HydrophobicContact CB-CZ 4.04Å; L91-F147 HydrophobicContact CD2-CD1 3.86Å; L91-F147 HydrophobicContact CD2-CE1 3.32Å; L91-F147 HydrophobicContact CD2-CZ 3.83Å; L91-F147 HydrophobicContact CG-CE1 4.43Å; L91-F147 WeakPolarHBondContact O-CZ 3.41Å; L91-I175 HydrophobicContact CD2-CD1 4.14Å; L91-T261 HydrophobicContact CD1-CG2 3.51Å
92L61.7Low60.6Low20 Ų2069.6 Ų69.611%0.10541%0.409CS..SBendtrans-120.2136-170.2-47.1172.3000109.1K88 D94 V100 L125K88-L92 HydrophobicContact CB-CD1 4.39Å; K88-L92 HydrophobicContact CD-CD1 4.4Å; K88-L92 HydrophobicContact CG-CB 4.35Å; K88-L92 HydrophobicContact CG-CD1 3.4Å; K88-L92 VanDerWaalsContact CG-CD1 3.4Å; K88-L92 HydrophobicContact CG-CG 4.3Å; K88-L92 CarbonylContact O-C 3.56Å; K88-L92 VanDerWaalsContact O-CA 3.25Å; K88-L92 WeakPolarHBondContact O-CA 3.41Å; K88-L92 WeakPolarHBondContact O-CB 2.98Å; K88-L92 WeakPolarHBondContact O-CG 3.33Å; K88-L92 PolarHBondContact O-N 2.94Å; K88-L92 VanDerWaalsContact O-O 3.06Å; L92-D94 PolarHBondContact O-N 3.35Å; L92-V100 HydrophobicContact CD1-CB 4.27Å; L92-V100 HydrophobicContact CD1-CG1 4.13Å; L92-V100 HydrophobicContact CD1-CG2 3.87Å; L92-V100 HydrophobicContact CD2-CG1 4.05Å; L92-L125 HydrophobicContact CD2-CD1 3.05Å; L92-L125 HydrophobicContact CD2-CG 4.38Å
93T53.2Low63.2Low133 Ų13363.6 Ų63.682%0.81637%0.367SS*.  trans-65119.6164.649.40000107.7S95T93-S95 PolarHBondContact O-N 3.35Å
94D46.8Very low65.6Low88 Ų8856.2 Ų56.247%0.47133%0.332SS..  trans-53.6112.4-176.5-118.2-17.9000110.3Q89 L92Q89-D94 VanDerWaalsContact CG-OD2 3.3Å; Q89-D94 WeakPolarHBondContact CG-OD2 3.31Å; Q89-D94 PolarHBondContact NE2-OD2 3.39Å; L92-D94 PolarHBondContact O-N 3.35Å
95S49.7Very low68Low58 Ų5853.3 Ų53.341%0.40631%0.308SS..  trans-127.990.4165.7-66.80000106.3T93 G97 R98T93-S95 PolarHBondContact O-N 3.35Å; S95-G97 PolarHBondContact O-N 2.87Å; S95-R98 PolarHBondContact O-N 2.78Å
96P52.3Low70.1Confident124 Ų12452.4 Ų52.481%0.80530%0.303SS*.THydrogen-bonded Turntrans-51.9128.2177.9-23.432.2000109.9
97G59.1Low72Confident85 Ų8550.4 Ų50.488%0.87629%0.288SS*.THydrogen-bonded Turntrans92.4-9.417800000116.6S95S95-G97 PolarHBondContact O-N 2.87Å
98R72.3Confident74.2Confident148 Ų14850.2 Ų50.256%0.55829%0.29SS*.  trans-86.2125.5174.9-172.1174.3168.6-178.8-0.4111.6K88 S95 D124K88-R98 PolarHBondContact NZ-O 3.36Å; S95-R98 PolarHBondContact O-N 2.78Å; R98-D124 IonicContact CZ-OD1 2.79Å; R98-D124 IonicContact NE-OD1 3.74Å; R98-D124 IonicContact NH2-OD1 2.88Å; R98-D124 PolarHBondContact NH2-OD1 3.08Å
99C83.1Confident76.3Confident45 Ų4547.6 Ų47.630%0.30428%0.28SS..  trans-70.7121.9168.7-176.70000109.3
100V88.4Confident78.3Confident14 Ų1442.9 Ų42.99%0.08526%0.258CS..  trans-96.5115.6-179.6-177.60000110.8L92 D124 L125 D263 Q264L92-V100 HydrophobicContact CD1-CB 4.27Å; L92-V100 HydrophobicContact CD1-CG1 4.13Å; L92-V100 HydrophobicContact CD1-CG2 3.87Å; L92-V100 HydrophobicContact CD2-CG1 4.05Å; V100-D124 HydrophobicContact CG1-CB 4.44Å; V100-L125 HydrophobicContact CG1-CD1 3.52Å; V100-L125 HydrophobicContact CG1-CG 4.36Å; V100-D263 PolarHBondContact N-OD2 2.89Å; V100-D263 PolarHBondContact O-N 2.96Å; V100-Q264 PolarHBondContact O-N 3.19Å; V100-Q264 VanDerWaalsContact O-N 3.11Å
101R93.9Very high80.5Confident86 Ų8641.6 Ų41.633%0.32525%0.252SS..EExtended strand (participates in β ladder)trans-99123178.2-59.2168.461.4102.8-8.1110.1D124 L125 Q264R101-D124 WeakPolarHBondContact CB-OD2 3.19Å; R101-D124 PolarHBondContact N-OD2 2.82Å; R101-D124 WeakPolarHBondContact O-CB 3.5Å; R101-D124 PolarHBondContact O-N 3.15Å; R101-L125 PolarHBondContact O-N 3.03Å; R101-Q264 HydrophobicContact CG-CB 4.31Å
102C96.8Very high82.4Confident0 Ų046 Ų460%027%0.267CS..EExtended strand (participates in β ladder)trans-117.3133.6-177.4-62.60000111.6H123 L125 F127 C262 Q264 V265 S266C102-H123 PolarHBondContact O-CD2 3.12Å; C102-L125 CarbonylContact C-O 3.41Å; C102-L125 WeakPolarHBondContact CA-O 3.49Å; C102-F127 HydrophobicContact CB-CD2 4.22Å; C102-F127 HydrophobicContact CB-CE2 3.87Å; C102-C262 HydrophobicContact CB-CB 3.68Å; C102-C262 WeakPolarHBondContact CB-SG 3.45Å; C102-C262 WeakPolarHBondContact SG-CB 3.14Å; C102-C262 CovalentContact SG-SG 2.01Å; C102-C262 PolarHBondContact SG-SG 2.86Å; C102-Q264 PolarHBondContact N-O 2.99Å; C102-V265 CarbonylContact O-C 3.56Å; C102-V265 WeakPolarHBondContact O-CA 3.4Å; C102-S266 PolarHBondContact O-N 2.92Å
103A98.5Very high84Confident0 Ų047.6 Ų47.60%029%0.289CS..EExtended strand (participates in β ladder)trans-97.1134.3162.500000109.1I120 H123 L125 V126 F127 S266 Y268A103-I120 HydrophobicContact CB-CG2 4.18Å; A103-H123 HydrophobicContact CB-CB 3.95Å; A103-H123 PolarHBondContact N-CD2 3.37Å; A103-L125 PolarHBondContact N-O 3.21Å; A103-V126 HydrophobicContact CB-CG2 4.33Å; A103-V126 CarbonylContact O-C 3.56Å; A103-V126 WeakPolarHBondContact O-CA 3.49Å; A103-F127 PolarHBondContact O-N 2.77Å; A103-S266 CarbonylContact C-O 3.58Å; A103-S266 WeakPolarHBondContact CA-O 2.99Å; A103-Y268 HydrophobicContact CB-CD2 4.12Å; A103-Y268 HydrophobicContact CB-CE2 3.94Å
104V98.6Very high86.1Confident0 Ų042.1 Ų42.10%026%0.257CS..EExtended strand (participates in β ladder)trans-114.3121169.2-170.60000107.6F127 M129 L255 A258 V265 S266 Y268 F270V104-F127 HydrophobicContact CB-CB 4.41Å; V104-F127 HydrophobicContact CG1-CB 4.13Å; V104-F127 HydrophobicContact CG2-CB 4.18Å; V104-F127 HydrophobicContact CG2-CD2 4.38Å; V104-F127 HydrophobicContact CG2-CG 4.44Å; V104-M129 HydrophobicContact CG1-CE 3.57Å; V104-L255 HydrophobicContact CB-CD1 3.89Å; V104-L255 HydrophobicContact CG1-CB 4.27Å; V104-L255 HydrophobicContact CG1-CD1 4.28Å; V104-L255 HydrophobicContact CG2-CD1 3.81Å; V104-A258 HydrophobicContact CG2-CB 3.39Å; V104-V265 HydrophobicContact CG2-CG1 3.93Å; V104-S266 PolarHBondContact N-O 3.02Å; V104-Y268 PolarHBondContact O-N 3.28Å; V104-F270 HydrophobicContact CB-CE2 4.14Å; V104-F270 HydrophobicContact CB-CZ 4.41Å; V104-F270 HydrophobicContact CG1-CE2 3.79Å; V104-F270 HydrophobicContact CG1-CZ 3.65Å; V104-F270 WeakPolarHBondContact O-CE2 3.21Å
105V98.5Very high88.5Confident1 Ų140.1 Ų40.11%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-109.6106.1-175.4-169.20000108.6L111 I120 V126 F127 R128 Y268V105-L111 HydrophobicContact CG1-CD1 3.82Å; V105-I120 HydrophobicContact CG2-CD1 4.15Å; V105-I120 HydrophobicContact CG2-CG1 4.34Å; V105-I120 HydrophobicContact CG2-CG2 3.69Å; V105-V126 HydrophobicContact CG2-CG1 3.92Å; V105-F127 PolarHBondContact N-O 3.24Å; V105-R128 HydrophobicContact CB-CG 4.32Å; V105-Y268 CarbonylContact C-O 3.6Å; V105-Y268 WeakPolarHBondContact CA-O 2.98Å
106G96.6Very high90.9Very high6 Ų638.8 Ų38.86%0.06224%0.244CC..  trans-78.6177.316400000111.2Y268 G269G106-Y268 PolarHBondContact N-O 2.81Å; G106-G269 CarbonylContact C-O 3.58Å
107N95.3Very high93.1Very high17 Ų1733 Ų339%0.09121%0.207CC..  trans-101.56.8-171.1-59.3-28.5000114.5M129 G131 H281 Y282 Y283N107-M129 PolarHBondContact ND2-O 3.13Å; N107-G131 PolarHBondContact ND2-N 3.36Å; N107-H281 WeakPolarHBondContact O-CA 3.39Å; N107-Y282 HydrophobicContact CB-CE1 4.24Å; N107-Y282 VanDerWaalsContact O-CD1 3.25Å; N107-Y282 WeakPolarHBondContact O-CD1 2.92Å; N107-Y282 PolarHBondContact O-N 3.24Å; N107-Y282 VanDerWaalsContact O-N 3.13Å; N107-Y283 HydrophobicContact CB-CE1 4.18Å
108G96.3Very high94.9Very high19 Ų1939.9 Ų39.920%0.19621%0.207CC..BIsolated β-bridgetrans-63.1145-171.600000114.8I110 L111 G269 D280G108-I110 PolarHBondContact O-N 3.27Å; G108-L111 PolarHBondContact O-N 2.86Å; G108-G269 WeakPolarHBondContact CA-O 3.36Å; G108-G269 PolarHBondContact N-O 2.86Å; G108-D280 WeakPolarHBondContact CA-O 3.17Å
109G96.9Very high96.2Very high5 Ų537 Ų375%0.05220%0.202CC..G310 helixtrans-58.9-16.4-179.100000116.2L111 R112 S279 D280G109-L111 PolarHBondContact O-N 3.37Å; G109-R112 PolarHBondContact O-N 2.71Å; G109-S279 WeakPolarHBondContact CA-O 3.3Å; G109-S279 PolarHBondContact N-O 2.65Å; G109-D280 PolarHBondContact N-O 2.83Å; G109-D280 VanDerWaalsContact N-O 3.09Å
110I97.6Very high96.9Very high6 Ų634.9 Ų34.93%0.03119%0.188CC..G310 helixtrans-55.2-22.5173.2-168.1166.9000112.8G108 T272 F278 F317 R319G108-I110 PolarHBondContact O-N 3.27Å; I110-T272 HydrophobicContact CD1-CG2 3.95Å; I110-F278 HydrophobicContact CB-CD1 4.44Å; I110-F278 HydrophobicContact CB-CD2 3.89Å; I110-F278 HydrophobicContact CB-CE2 4.02Å; I110-F278 HydrophobicContact CB-CG 4.11Å; I110-F278 HydrophobicContact CB-CZ 4.38Å; I110-F278 HydrophobicContact CD1-CD2 4.48Å; I110-F278 HydrophobicContact CD1-CE2 3.86Å; I110-F278 HydrophobicContact CD1-CZ 4.22Å; I110-F278 HydrophobicContact CG1-CD2 4.09Å; I110-F278 HydrophobicContact CG1-CE1 4.22Å; I110-F278 HydrophobicContact CG1-CE2 3.68Å; I110-F278 HydrophobicContact CG1-CZ 3.76Å; I110-F317 HydrophobicContact CG1-CD1 4.4Å; I110-F317 HydrophobicContact CG1-CE1 4.09Å; I110-R319 HydrophobicContact CD1-CG 4.19Å; I110-R319 HydrophobicContact CG1-CG 3.81Å; I110-R319 PolarHBondContact O-NE 2.81Å; I110-R319 PolarHBondContact O-NH2 3.06Å
111L98.1Very high97.4Very high0 Ų036.4 Ų36.40%020%0.195CC..G310 helixtrans-79.4-17.3177.9-65177.8000114.8V105 G108 G109 G113 A114 D140 V141 Y268 Y282 F317V105-L111 HydrophobicContact CG1-CD1 3.82Å; G108-L111 PolarHBondContact O-N 2.86Å; G109-L111 PolarHBondContact O-N 3.37Å; L111-G113 PolarHBondContact O-N 2.82Å; L111-A114 WeakPolarHBondContact O-CB 3.25Å; L111-A114 PolarHBondContact O-N 3.35Å; L111-A114 VanDerWaalsContact O-N 3.09Å; L111-D140 VanDerWaalsContact O-CB 3.25Å; L111-D140 WeakPolarHBondContact O-CB 3.1Å; L111-V141 HydrophobicContact CB-CG1 4.11Å; L111-V141 HydrophobicContact CD1-CG1 3.97Å; L111-Y268 HydrophobicContact CD2-CD1 4.49Å; L111-Y282 HydrophobicContact CB-CD1 4.1Å; L111-Y282 HydrophobicContact CB-CG 4.23Å; L111-Y282 HydrophobicContact CD1-CD1 4.05Å; L111-Y282 HydrophobicContact CD1-CE1 4.31Å; L111-F317 HydrophobicContact CD2-CD1 4.02Å; L111-F317 HydrophobicContact CD2-CE1 4.16Å
112R96.6Very high97.6Very high110 Ų11035.2 Ų35.242%0.41521%0.21SC..THydrogen-bonded Turntrans-68.1120.7-176-171.7178.4-172.6158.62.8112.4G109 A114 Y282 D284 R319G109-R112 PolarHBondContact O-N 2.71Å; R112-A114 PolarHBondContact O-N 3.37Å; R112-Y282 WeakPolarHBondContact CD-O 3.5Å; R112-D284 PolarHBondContact NH1-O 2.84Å; R112-R319 PolarHBondContact O-NH2 3.46Å
113G96.5Very high97.6Very high55 Ų5535.7 Ų35.757%0.56721%0.212SC*.THydrogen-bonded Turntrans63.329.6-173.500000113L111 D140 R319L111-G113 PolarHBondContact O-N 2.82Å; G113-D140 VanDerWaalsContact C-OD1 3.24Å; G113-D140 WeakPolarHBondContact CA-OD1 3.5Å; G113-D140 PolarHBondContact N-OD1 3.38Å; G113-D140 PolarHBondContact N-OD2 3.05Å; G113-R319 PolarHBondContact O-NH1 2.96Å
114A96.9Very high97.4Very high17 Ų1737.6 Ų37.614%0.1422%0.222CC..  trans-91.1-16.2178.300000113L111 R112 Q116 D140 F317L111-A114 WeakPolarHBondContact O-CB 3.25Å; L111-A114 PolarHBondContact O-N 3.35Å; L111-A114 VanDerWaalsContact O-N 3.09Å; R112-A114 PolarHBondContact O-N 3.37Å; A114-Q116 HydrophobicContact CB-CG 3.95Å; A114-Q116 PolarHBondContact O-N 3.01Å; A114-Q116 PolarHBondContact O-NE2 3.03Å; A114-Q116 VanDerWaalsContact O-NE2 3.09Å; A114-D140 PolarHBondContact N-OD1 3.33Å; A114-F317 HydrophobicContact CB-CE1 4.01Å; A114-F317 HydrophobicContact CB-CZ 3.84Å
115G97.4Very high97.3Very high46 Ų4639 Ų3947%0.47423%0.23SC..  trans60.126.4178.700000113.9G117 E139 D140G115-G117 VanDerWaalsContact C-N 3.33Å; G115-E139 CarbonylContact C-O 3.6Å; G115-E139 VanDerWaalsContact CA-O 3.27Å; G115-E139 WeakPolarHBondContact CA-O 3.31Å; G115-D140 PolarHBondContact N-OD1 3.02Å
116Q98.4Very high97.2Very high31 Ų3139 Ų3915%0.14523%0.23CC..  trans-85.5-1.5-174.3-66.4-55.6-5500113.6A114 R118 N119 I120 E139 D140 Y268 F317A114-Q116 HydrophobicContact CB-CG 3.95Å; A114-Q116 PolarHBondContact O-N 3.01Å; A114-Q116 PolarHBondContact O-NE2 3.03Å; A114-Q116 VanDerWaalsContact O-NE2 3.09Å; Q116-R118 PolarHBondContact O-N 3.03Å; Q116-N119 WeakPolarHBondContact O-CB 3.47Å; Q116-N119 PolarHBondContact O-N 3.22Å; Q116-N119 PolarHBondContact OE1-ND2 3.3Å; Q116-I120 HydrophobicContact CB-CD1 4.05Å; Q116-I120 HydrophobicContact CB-CG1 4.42Å; Q116-I120 WeakPolarHBondContact O-CG1 3.27Å; Q116-I120 PolarHBondContact O-N 2.84Å; Q116-E139 PolarHBondContact N-O 2.89Å; Q116-D140 CarbonylContact C-O 3.54Å; Q116-D140 WeakPolarHBondContact CB-O 3.46Å; Q116-D140 PolarHBondContact N-O 2.77Å; Q116-Y268 HydrophobicContact CB-CD1 4.12Å; Q116-Y268 HydrophobicContact CB-CE1 4.15Å; Q116-Y268 HydrophobicContact CG-CD1 4.27Å; Q116-Y268 HydrophobicContact CG-CE1 4.26Å; Q116-F317 HydrophobicContact CG-CD2 3.95Å; Q116-F317 HydrophobicContact CG-CE1 4.16Å; Q116-F317 HydrophobicContact CG-CE2 3.5Å; Q116-F317 HydrophobicContact CG-CG 4.46Å; Q116-F317 HydrophobicContact CG-CZ 3.62Å
117G98.5Very high97.3Very high2 Ų238.8 Ų38.82%0.02123%0.227CC..Hα-helixtrans-58.2-44.7-171.600000113.5G115 N119 I120 D121 E139 D140G115-G117 VanDerWaalsContact C-N 3.33Å; G117-N119 PolarHBondContact O-N 3.24Å; G117-I120 PolarHBondContact O-N 3.48Å; G117-D121 WeakPolarHBondContact O-CB 3.29Å; G117-D121 PolarHBondContact O-N 2.85Å; G117-E139 WeakPolarHBondContact CA-O 3.27Å; G117-E139 PolarHBondContact N-O 2.83Å; G117-D140 PolarHBondContact N-O 3.16Å
118R98.5Very high97.4Very high230 Ų23038 Ų3887%0.86822%0.223SC*.Hα-helixtrans-64.3-38.3175.6-66.9-176.1-178.8177.81.6112.7Q116 G122Q116-R118 PolarHBondContact O-N 3.03Å; R118-G122 PolarHBondContact O-N 3.42Å
119N98.5Very high97.2Very high88 Ų8837.8 Ų37.847%0.47122%0.217SC..Hα-helixtrans-67.6-40.2177.8-69-26.2000111.2Q116 G117 H123Q116-N119 WeakPolarHBondContact O-CB 3.47Å; Q116-N119 PolarHBondContact O-N 3.22Å; Q116-N119 PolarHBondContact OE1-ND2 3.3Å; G117-N119 PolarHBondContact O-N 3.24Å; N119-H123 PolarHBondContact O-CE1 3.48Å; N119-H123 PolarHBondContact O-ND1 3.13Å
120I98.8Very high96.7Very high0 Ų039.4 Ų39.40%022%0.224CC..Hα-helixtrans-62.6-53.7175.3-70163.8000109.9A103 V105 Q116 G117 G122 H123 V126 V141 Y268A103-I120 HydrophobicContact CB-CG2 4.18Å; V105-I120 HydrophobicContact CG2-CD1 4.15Å; V105-I120 HydrophobicContact CG2-CG1 4.34Å; V105-I120 HydrophobicContact CG2-CG2 3.69Å; Q116-I120 HydrophobicContact CB-CD1 4.05Å; Q116-I120 HydrophobicContact CB-CG1 4.42Å; Q116-I120 WeakPolarHBondContact O-CG1 3.27Å; Q116-I120 PolarHBondContact O-N 2.84Å; G117-I120 PolarHBondContact O-N 3.48Å; I120-G122 PolarHBondContact O-N 3.1Å; I120-H123 WeakPolarHBondContact O-CB 3.33Å; I120-H123 PolarHBondContact O-N 3.41Å; I120-H123 VanDerWaalsContact O-N 3.11Å; I120-H123 PolarHBondContact O-ND1 3.09Å; I120-V126 HydrophobicContact CG2-CG1 3.85Å; I120-V126 HydrophobicContact CG2-CG2 4.16Å; I120-V141 WeakPolarHBondContact CD1-O 3.31Å; I120-Y268 HydrophobicContact CD1-CD1 4.09Å; I120-Y268 HydrophobicContact CD1-CD2 4.45Å; I120-Y268 HydrophobicContact CD1-CG 4Å; I120-Y268 HydrophobicContact CG1-CD1 3.86Å; I120-Y268 HydrophobicContact CG1-CD2 3.75Å; I120-Y268 HydrophobicContact CG1-CE1 3.99Å; I120-Y268 HydrophobicContact CG1-CE2 3.87Å; I120-Y268 HydrophobicContact CG1-CG 3.74Å
121D98.4Very high96.2Very high45 Ų4539.1 Ų39.124%0.24122%0.223CC..Hα-helixtrans-67.3-22.5-175.9-71.8-8.8000113G117 H123 G142 T143 K144G117-D121 WeakPolarHBondContact O-CB 3.29Å; G117-D121 PolarHBondContact O-N 2.85Å; D121-H123 PolarHBondContact O-N 3.44Å; D121-G142 WeakPolarHBondContact OD1-CA 3.29Å; D121-G142 WeakPolarHBondContact OD2-CA 3.09Å; D121-T143 PolarHBondContact OD1-N 2.93Å; D121-T143 VanDerWaalsContact OD1-N 3.13Å; D121-T143 PolarHBondContact OD2-N 3.41Å; D121-T143 PolarHBondContact OD2-OG1 3.27Å; D121-K144 HydrophobicContact CB-CB 4.22Å; D121-K144 WeakPolarHBondContact OD1-CB 3.26Å; D121-K144 PolarHBondContact OD1-N 3.37Å
122G97.7Very high95.9Very high61 Ų6139.4 Ų39.463%0.62923%0.225SC*.THydrogen-bonded Turntrans-69.6-5.7173.100000115.3R118 I120R118-G122 PolarHBondContact O-N 3.42Å; I120-G122 PolarHBondContact O-N 3.1Å
123H96.9Very high95.8Very high11 Ų1134.8 Ų34.85%0.05121%0.209CC..SBendtrans-79.4155.8172.2-69.572000111.3C102 A103 N119 I120 D121 L125 K144 S266 Y268C102-H123 PolarHBondContact O-CD2 3.12Å; A103-H123 HydrophobicContact CB-CB 3.95Å; A103-H123 PolarHBondContact N-CD2 3.37Å; N119-H123 PolarHBondContact O-CE1 3.48Å; N119-H123 PolarHBondContact O-ND1 3.13Å; I120-H123 WeakPolarHBondContact O-CB 3.33Å; I120-H123 PolarHBondContact O-N 3.41Å; I120-H123 VanDerWaalsContact O-N 3.11Å; I120-H123 PolarHBondContact O-ND1 3.09Å; D121-H123 PolarHBondContact O-N 3.44Å; H123-L125 VanDerWaalsContact C-N 3.26Å; H123-L125 PolarHBondContact O-N 3.09Å; H123-K144 PolarHBondContact O-NZ 2.83Å; H123-S266 VanDerWaalsContact NE2-CB 3.34Å; H123-S266 WeakPolarHBondContact NE2-CB 3.26Å; H123-S266 PolarHBondContact NE2-OG 3.36Å; H123-Y268 AromaticContact CE1-CE2 3.98Å; H123-Y268 PolarHBondContact CE1-OH 2.95Å
124D94.1Very high95.7Very high40 Ų4033.6 Ų33.621%0.21419%0.19CC..SBendtrans-61.5-40.7176.2-61.4-58.8000110.6R98 V100 R101 K144R98-D124 IonicContact CZ-OD1 2.79Å; R98-D124 IonicContact NE-OD1 3.74Å; R98-D124 IonicContact NH2-OD1 2.88Å; R98-D124 PolarHBondContact NH2-OD1 3.08Å; V100-D124 HydrophobicContact CG1-CB 4.44Å; R101-D124 WeakPolarHBondContact CB-OD2 3.19Å; R101-D124 PolarHBondContact N-OD2 2.82Å; R101-D124 WeakPolarHBondContact O-CB 3.5Å; R101-D124 PolarHBondContact O-N 3.15Å; D124-K144 VanDerWaalsContact O-CE 3.3Å; D124-K144 WeakPolarHBondContact O-CE 3.46Å; D124-K144 PolarHBondContact O-NZ 2.89Å
125L95.7Very high95.5Very high30 Ų3043.3 Ų43.316%0.15722%0.223CC..EExtended strand (participates in β ladder)trans-135.1143.4-176.6-58.2163.5000111.3L92 V100 R101 C102 A103 H123 F127 S146 F147L92-L125 HydrophobicContact CD2-CD1 3.05Å; L92-L125 HydrophobicContact CD2-CG 4.38Å; V100-L125 HydrophobicContact CG1-CD1 3.52Å; V100-L125 HydrophobicContact CG1-CG 4.36Å; R101-L125 PolarHBondContact O-N 3.03Å; C102-L125 CarbonylContact C-O 3.41Å; C102-L125 WeakPolarHBondContact CA-O 3.49Å; A103-L125 PolarHBondContact N-O 3.21Å; H123-L125 VanDerWaalsContact C-N 3.26Å; H123-L125 PolarHBondContact O-N 3.09Å; L125-F127 HydrophobicContact CB-CE2 4.14Å; L125-S146 WeakPolarHBondContact CA-OG 3.16Å; L125-F147 HydrophobicContact CB-CE2 4.37Å; L125-F147 HydrophobicContact CD1-CE2 4.12Å; L125-F147 HydrophobicContact CD2-CE2 4.07Å; L125-F147 HydrophobicContact CG-CE2 4.4Å
126V98.1Very high95.4Very high0 Ų043.6 Ų43.60%023%0.225CC..EExtended strand (participates in β ladder)trans-123.7120.7177.6-175.50000110.1A103 V105 I120 R128 K144 S146 F147A103-V126 HydrophobicContact CB-CG2 4.33Å; A103-V126 CarbonylContact O-C 3.56Å; A103-V126 WeakPolarHBondContact O-CA 3.49Å; V105-V126 HydrophobicContact CG2-CG1 3.92Å; I120-V126 HydrophobicContact CG2-CG1 3.85Å; I120-V126 HydrophobicContact CG2-CG2 4.16Å; V126-R128 HydrophobicContact CG1-CG 4.17Å; V126-K144 HydrophobicContact CB-CB 4.43Å; V126-K144 HydrophobicContact CB-CG 4.3Å; V126-K144 WeakPolarHBondContact CB-O 3.42Å; V126-K144 VanDerWaalsContact CG1-O 3.27Å; V126-K144 WeakPolarHBondContact CG1-O 3.35Å; V126-K144 HydrophobicContact CG2-CB 3.9Å; V126-K144 HydrophobicContact CG2-CD 3.9Å; V126-K144 HydrophobicContact CG2-CG 3.83Å; V126-S146 PolarHBondContact N-OG 2.78Å; V126-S146 VanDerWaalsContact N-OG 3.16Å; V126-S146 PolarHBondContact O-N 2.88Å; V126-F147 PolarHBondContact O-N 2.82Å
127F98.1Very high95.3Very high1 Ų144.1 Ų44.10%0.00423%0.227CC..EExtended strand (participates in β ladder)trans-98.4126.4175.2-65-107.3000108.8C102 A103 V104 V105 L125 F147 I175 M254 A258C102-F127 HydrophobicContact CB-CD2 4.22Å; C102-F127 HydrophobicContact CB-CE2 3.87Å; A103-F127 PolarHBondContact O-N 2.77Å; V104-F127 HydrophobicContact CB-CB 4.41Å; V104-F127 HydrophobicContact CG1-CB 4.13Å; V104-F127 HydrophobicContact CG2-CB 4.18Å; V104-F127 HydrophobicContact CG2-CD2 4.38Å; V104-F127 HydrophobicContact CG2-CG 4.44Å; V105-F127 PolarHBondContact N-O 3.24Å; L125-F127 HydrophobicContact CB-CE2 4.14Å; F127-F147 WeakPolarHBondContact CA-O 3.38Å; F127-F147 HydrophobicContact CD1-CB 3.48Å; F127-F147 VanDerWaalsContact CD1-CB 3.48Å; F127-F147 AromaticContact CD1-CD2 3.8Å; F127-F147 HydrophobicContact CD1-CD2 3.8Å; F127-F147 AromaticContact CD1-CG 3.84Å; F127-F147 HydrophobicContact CD1-CG 3.84Å; F127-F147 HydrophobicContact CD2-CD2 4.14Å; F127-F147 HydrophobicContact CE1-CB 3.78Å; F127-F147 HydrophobicContact CE1-CD1 4.42Å; F127-F147 AromaticContact CE1-CD2 3.37Å; F127-F147 HydrophobicContact CE1-CD2 3.37Å; F127-F147 HydrophobicContact CE1-CE2 4.1Å; F127-F147 AromaticContact CE1-CG 3.58Å; F127-F147 HydrophobicContact CE1-CG 3.58Å; F127-F147 AromaticContact CE2-CD2 3.72Å; F127-F147 HydrophobicContact CE2-CD2 3.72Å; F127-F147 HydrophobicContact CE2-CE2 4.19Å; F127-F147 HydrophobicContact CG-CB 4.05Å; F127-F147 HydrophobicContact CG-CD2 4.17Å; F127-F147 HydrophobicContact CG-CG 4.5Å; F127-F147 AromaticContact CZ-CD2 3.33Å; F127-F147 HydrophobicContact CZ-CD2 3.33Å; F127-F147 AromaticContact CZ-CE2 3.71Å; F127-F147 HydrophobicContact CZ-CE2 3.71Å; F127-F147 HydrophobicContact CZ-CG 4.04Å; F127-I175 HydrophobicContact CE1-CD1 4.38Å; F127-M254 HydrophobicContact CB-CE 4.08Å; F127-M254 HydrophobicContact CD1-CE 3.66Å; F127-M254 HydrophobicContact CG-CE 4.36Å; F127-A258 HydrophobicContact CD2-CB 4.36Å; F127-A258 HydrophobicContact CE2-CB 4.29Å; F127-A258 HydrophobicContact CZ-CB 4.47Å
128R96.6Very high95.3Very high1 Ų147.4 Ų47.40%0.00424%0.242CC..EExtended strand (participates in β ladder)trans-124.9162.5172.6-57-168.9-173.5-99.2-3.7109.9V105 V126 A132 V141 G142 K144 V145 F147 Y148 G149V105-R128 HydrophobicContact CB-CG 4.32Å; V126-R128 HydrophobicContact CG1-CG 4.17Å; R128-A132 HydrophobicContact CB-CB 3.92Å; R128-V141 VanDerWaalsContact CZ-O 3.23Å; R128-V141 PolarHBondContact NH1-O 3.35Å; R128-V141 PolarHBondContact NH2-O 2.87Å; R128-G142 PolarHBondContact NH2-O 2.86Å; R128-K144 PolarHBondContact NE-O 2.99Å; R128-K144 PolarHBondContact NH2-O 2.82Å; R128-V145 HydrophobicContact CG-CG1 4.49Å; R128-F147 PolarHBondContact N-O 2.81Å; R128-Y148 HydrophobicContact CB-CD2 4.21Å; R128-Y148 CarbonylContact O-C 3.57Å; R128-Y148 WeakPolarHBondContact O-CA 3.34Å; R128-G149 PolarHBondContact O-N 2.89Å
129M92.1Very high95.3Very high15 Ų1544.5 Ų44.57%0.07424%0.238CC..EExtended strand (participates in β ladder)trans-155.7159.5-178.568.6-154.690.900112.8V104 N107 G149 M254 F270V104-M129 HydrophobicContact CG1-CE 3.57Å; N107-M129 PolarHBondContact ND2-O 3.13Å; M129-G149 VanDerWaalsContact CA-O 3.24Å; M129-G149 WeakPolarHBondContact CA-O 3.4Å; M129-G149 WeakPolarHBondContact CB-O 3.45Å; M129-M254 HydrophobicContact CB-CG 4.07Å; M129-M254 HydrophobicContact CE-CB 3.6Å; M129-M254 HydrophobicContact CE-CG 4.28Å; M129-M254 HydrophobicContact SD-CB 3.59Å; M129-M254 VanDerWaalsContact SD-CB 3.59Å; M129-M254 HydrophobicContact SD-CG 3.85Å; M129-F270 HydrophobicContact CE-CZ 3.93Å
130N86.5Confident95.3Very high39 Ų3941.2 Ų41.221%0.20922%0.221CC..SBendtrans54-139.5175-59-28000111.9A132 Y148 G149 T154 Y158N130-A132 PolarHBondContact O-N 3.27Å; N130-Y148 PolarHBondContact O-OH 3.38Å; N130-G149 PolarHBondContact N-O 2.67Å; N130-T154 PolarHBondContact OD1-OG1 3.49Å; N130-Y158 HydrophobicContact CB-CE2 3.87Å
131G87.8Confident95.2Very high0 Ų041.2 Ų41.20%022%0.221CC..SBendtrans-69.860.8178.200000114.3N107 V133 Y158 Y283N107-G131 PolarHBondContact ND2-N 3.36Å; G131-V133 VanDerWaalsContact C-N 3.32Å; G131-V133 PolarHBondContact O-N 2.75Å; G131-Y158 VanDerWaalsContact CA-CD2 3.47Å; G131-Y158 VanDerWaalsContact N-CD2 3.31Å; G131-Y283 WeakPolarHBondContact O-CE1 3.22Å; G131-Y283 PolarHBondContact O-OH 2.85Å
132A92.1Very high95.2Very high6 Ų639 Ų395%0.0521%0.209CC..  trans-76.580.1178.800000111R128 N130 I134 Y148R128-A132 HydrophobicContact CB-CB 3.92Å; N130-A132 PolarHBondContact O-N 3.27Å; A132-I134 PolarHBondContact O-N 3.03Å; A132-Y148 HydrophobicContact CB-CE2 4.05Å
133V93.9Very high95.2Very high12 Ų1240.3 Ų40.37%0.07321%0.205CC..  trans-73.3111.7176-176.30000109.6G131 F137 F163 Y282 Y283G131-V133 VanDerWaalsContact C-N 3.32Å; G131-V133 PolarHBondContact O-N 2.75Å; V133-F137 HydrophobicContact CG1-CD2 4.11Å; V133-F137 HydrophobicContact CG1-CE2 4.31Å; V133-F163 HydrophobicContact CG2-CB 4.09Å; V133-F163 HydrophobicContact CG2-CD2 4.35Å; V133-Y282 HydrophobicContact CB-CE2 4.39Å; V133-Y282 PolarHBondContact N-OH 2.82Å; V133-Y282 VanDerWaalsContact N-OH 3.16Å; V133-Y282 WeakPolarHBondContact O-CE2 3.43Å; V133-Y282 PolarHBondContact O-OH 3.04Å; V133-Y283 HydrophobicContact CB-CD1 3.65Å; V133-Y283 HydrophobicContact CB-CE1 4.28Å; V133-Y283 HydrophobicContact CB-CG 3.9Å; V133-Y283 HydrophobicContact CG2-CD1 3.58Å; V133-Y283 HydrophobicContact CG2-CD2 4.05Å; V133-Y283 HydrophobicContact CG2-CE1 3.85Å; V133-Y283 HydrophobicContact CG2-CE2 4.3Å; V133-Y283 HydrophobicContact CG2-CG 3.68Å
134I94.4Very high95.2Very high31 Ų3143.2 Ų43.216%0.15922%0.217CC..  trans-97.7-43-179.9-66.1172.4000111.2A132 G136 F137 E138 G142 T143 V145A132-I134 PolarHBondContact O-N 3.03Å; I134-G136 PolarHBondContact O-N 3.18Å; I134-F137 CarbonylContact O-C 3.42Å; I134-F137 PolarHBondContact O-N 3.39Å; I134-E138 HydrophobicContact CG2-CG 4.09Å; I134-E138 PolarHBondContact O-N 3.07Å; I134-G142 WeakPolarHBondContact CG2-O 3.34Å; I134-T143 HydrophobicContact CG2-CG2 4.43Å; I134-V145 HydrophobicContact CD1-CG2 3.7Å
135W93.3Very high95.4Very high221 Ų22142.4 Ų42.484%0.83721%0.214SC*.THydrogen-bonded Turntrans-64125.3-173.5-17482.9000111.5F137 E138W135-F137 VanDerWaalsContact C-N 3.32Å; W135-E138 WeakPolarHBondContact CA-OE1 3.26Å
136G94.3Very high95.4Very high51 Ų5141.8 Ų41.853%0.52621%0.212SC..THydrogen-bonded Turntrans84.2-0.1-176.100000114.7I134 E138I134-G136 PolarHBondContact O-N 3.18Å; G136-E138 VanDerWaalsContact CA-OE2 3.3Å; G136-E138 WeakPolarHBondContact CA-OE2 3.4Å; G136-E138 PolarHBondContact N-OE1 3.46Å; G136-E138 PolarHBondContact N-OE2 3.36Å
137F97Very high95.2Very high42 Ų4242 Ų4218%0.18421%0.213CC..  trans-13014.3179.7-64.3-85.6000112.5V133 I134 W135 E139 D140 V141 Y282 Y283V133-F137 HydrophobicContact CG1-CD2 4.11Å; V133-F137 HydrophobicContact CG1-CE2 4.31Å; I134-F137 CarbonylContact O-C 3.42Å; I134-F137 PolarHBondContact O-N 3.39Å; W135-F137 VanDerWaalsContact C-N 3.32Å; F137-E139 VanDerWaalsContact C-N 3.26Å; F137-E139 PolarHBondContact O-N 2.77Å; F137-D140 WeakPolarHBondContact O-CA 3.48Å; F137-D140 WeakPolarHBondContact O-CB 3.23Å; F137-D140 PolarHBondContact O-N 3Å; F137-V141 HydrophobicContact CB-CG2 4.11Å; F137-V141 WeakPolarHBondContact O-CG2 3.47Å; F137-V141 PolarHBondContact O-N 3.16Å; F137-Y282 HydrophobicContact CB-CD2 4.25Å; F137-Y282 HydrophobicContact CB-CE2 4.11Å; F137-Y282 AromaticContact CD1-CD2 3.92Å; F137-Y282 HydrophobicContact CD1-CD2 3.92Å; F137-Y282 HydrophobicContact CD2-CD2 4.49Å; F137-Y282 HydrophobicContact CD2-CE2 4.4Å; F137-Y282 HydrophobicContact CE1-CD2 4.45Å; F137-Y282 VanDerWaalsContact CE1-O 3.27Å; F137-Y282 WeakPolarHBondContact CE1-O 3.39Å; F137-Y282 AromaticContact CG-CD2 3.95Å; F137-Y282 HydrophobicContact CG-CD2 3.95Å; F137-Y282 HydrophobicContact CG-CE2 4.09Å; F137-Y283 VanDerWaalsContact CZ-CA 3.46Å
138E97.9Very high95Very high72 Ų7242 Ų4234%0.33621%0.213SC..Hα-helixtrans-58.5-35.3-173.1-6487.8162.200112.8I134 W135 G136 D140 G142 T143I134-E138 HydrophobicContact CG2-CG 4.09Å; I134-E138 PolarHBondContact O-N 3.07Å; W135-E138 WeakPolarHBondContact CA-OE1 3.26Å; G136-E138 VanDerWaalsContact CA-OE2 3.3Å; G136-E138 WeakPolarHBondContact CA-OE2 3.4Å; G136-E138 PolarHBondContact N-OE1 3.46Å; G136-E138 PolarHBondContact N-OE2 3.36Å; E138-D140 VanDerWaalsContact C-N 3.25Å; E138-D140 PolarHBondContact O-N 3.45Å; E138-G142 WeakPolarHBondContact O-CA 3.26Å; E138-G142 PolarHBondContact O-N 3.37Å; E138-T143 HydrophobicContact CB-CG2 3.88Å; E138-T143 HydrophobicContact CG-CG2 3.53Å
139E98.4Very high94.7Very high168 Ų16842 Ų4279%0.78521%0.213SC*.Hα-helixtrans-64.2-32.8176.1-64.6-166.815900112.5G115 Q116 G117 F137G115-E139 CarbonylContact C-O 3.6Å; G115-E139 VanDerWaalsContact CA-O 3.27Å; G115-E139 WeakPolarHBondContact CA-O 3.31Å; Q116-E139 PolarHBondContact N-O 2.89Å; G117-E139 WeakPolarHBondContact CA-O 3.27Å; G117-E139 PolarHBondContact N-O 2.83Å; F137-E139 VanDerWaalsContact C-N 3.26Å; F137-E139 PolarHBondContact O-N 2.77Å
140D98.4Very high94.2Very high19 Ų1941.8 Ų41.810%0.10221%0.211CC..Hα-helixtrans-87.1-44.1-178-75.2-31.8000112.4L111 G113 A114 G115 Q116 G117 F137 E138L111-D140 VanDerWaalsContact O-CB 3.25Å; L111-D140 WeakPolarHBondContact O-CB 3.1Å; G113-D140 VanDerWaalsContact C-OD1 3.24Å; G113-D140 WeakPolarHBondContact CA-OD1 3.5Å; G113-D140 PolarHBondContact N-OD1 3.38Å; G113-D140 PolarHBondContact N-OD2 3.05Å; A114-D140 PolarHBondContact N-OD1 3.33Å; G115-D140 PolarHBondContact N-OD1 3.02Å; Q116-D140 CarbonylContact C-O 3.54Å; Q116-D140 WeakPolarHBondContact CB-O 3.46Å; Q116-D140 PolarHBondContact N-O 2.77Å; G117-D140 PolarHBondContact N-O 3.16Å; F137-D140 WeakPolarHBondContact O-CA 3.48Å; F137-D140 WeakPolarHBondContact O-CB 3.23Å; F137-D140 PolarHBondContact O-N 3Å; E138-D140 VanDerWaalsContact C-N 3.25Å; E138-D140 PolarHBondContact O-N 3.45Å
141V98.4Very high93.7Very high0 Ų040.4 Ų40.40%021%0.205CC..Hα-helixtrans-115.1-7.3-167.9-50.10000114L111 I120 R128 F137 Y282L111-V141 HydrophobicContact CB-CG1 4.11Å; L111-V141 HydrophobicContact CD1-CG1 3.97Å; I120-V141 WeakPolarHBondContact CD1-O 3.31Å; R128-V141 VanDerWaalsContact CZ-O 3.23Å; R128-V141 PolarHBondContact NH1-O 3.35Å; R128-V141 PolarHBondContact NH2-O 2.87Å; F137-V141 HydrophobicContact CB-CG2 4.11Å; F137-V141 WeakPolarHBondContact O-CG2 3.47Å; F137-V141 PolarHBondContact O-N 3.16Å; V141-Y282 HydrophobicContact CG1-CD1 4.15Å; V141-Y282 HydrophobicContact CG1-CD2 4Å; V141-Y282 HydrophobicContact CG1-CE1 3.95Å; V141-Y282 HydrophobicContact CG1-CE2 3.81Å; V141-Y282 HydrophobicContact CG1-CG 4.19Å; V141-Y282 HydrophobicContact CG2-CE2 4.4Å
142G98.2Very high92.6Very high0 Ų041.1 Ų41.10%021%0.209CC..  trans74.1176.4-179.200000112.6D121 R128 I134 E138D121-G142 WeakPolarHBondContact OD1-CA 3.29Å; D121-G142 WeakPolarHBondContact OD2-CA 3.09Å; R128-G142 PolarHBondContact NH2-O 2.86Å; I134-G142 WeakPolarHBondContact CG2-O 3.34Å; E138-G142 WeakPolarHBondContact O-CA 3.26Å; E138-G142 PolarHBondContact O-N 3.37Å
143T97.1Very high91.1Very high88 Ų8843.5 Ų43.554%0.5422%0.221SC..SBendtrans-113.2-19-177.660.90000113.6D121 I134 E138D121-T143 PolarHBondContact OD1-N 2.93Å; D121-T143 VanDerWaalsContact OD1-N 3.13Å; D121-T143 PolarHBondContact OD2-N 3.41Å; D121-T143 PolarHBondContact OD2-OG1 3.27Å; I134-T143 HydrophobicContact CG2-CG2 4.43Å; E138-T143 HydrophobicContact CB-CG2 3.88Å; E138-T143 HydrophobicContact CG-CG2 3.53Å
144K97.6Very high89.8Confident72 Ų7244.1 Ų44.131%0.31323%0.225SC..  trans-69.9136.7-175.1-173.2172.8176.7177.50110.9D121 H123 D124 V126 R128D121-K144 HydrophobicContact CB-CB 4.22Å; D121-K144 WeakPolarHBondContact OD1-CB 3.26Å; D121-K144 PolarHBondContact OD1-N 3.37Å; H123-K144 PolarHBondContact O-NZ 2.83Å; D124-K144 VanDerWaalsContact O-CE 3.3Å; D124-K144 WeakPolarHBondContact O-CE 3.46Å; D124-K144 PolarHBondContact O-NZ 2.89Å; V126-K144 HydrophobicContact CB-CB 4.43Å; V126-K144 HydrophobicContact CB-CG 4.3Å; V126-K144 WeakPolarHBondContact CB-O 3.42Å; V126-K144 VanDerWaalsContact CG1-O 3.27Å; V126-K144 WeakPolarHBondContact CG1-O 3.35Å; V126-K144 HydrophobicContact CG2-CB 3.9Å; V126-K144 HydrophobicContact CG2-CD 3.9Å; V126-K144 HydrophobicContact CG2-CG 3.83Å; R128-K144 PolarHBondContact NE-O 2.99Å; R128-K144 PolarHBondContact NH2-O 2.82Å
145V97Very high88.5Confident22 Ų2243 Ų4313%0.13322%0.219CC..  trans-138.4122.1172.2-168.70000108.3R128 I134 P167 I172R128-V145 HydrophobicContact CG-CG1 4.49Å; I134-V145 HydrophobicContact CD1-CG2 3.7Å; V145-P167 HydrophobicContact CB-CB 4.38Å; V145-P167 HydrophobicContact CB-CG 4.49Å; V145-P167 HydrophobicContact CG1-CB 4.3Å; V145-P167 HydrophobicContact CG1-CG 3.89Å; V145-P167 HydrophobicContact CG2-CB 3.87Å; V145-P167 HydrophobicContact CG2-CG 4.19Å; V145-I172 HydrophobicContact CB-CD1 3.96Å; V145-I172 HydrophobicContact CB-CG1 4.35Å; V145-I172 HydrophobicContact CG1-CD1 4.16Å; V145-I172 HydrophobicContact CG1-CG1 4.49Å; V145-I172 HydrophobicContact CG1-CG2 4.23Å
146S95.6Very high87.2Confident17 Ų1735.3 Ų35.312%0.11920%0.199CC..SBendtrans-107.2-42.4172.8-51.40000110.5L125 V126 K173L125-S146 WeakPolarHBondContact CA-OG 3.16Å; V126-S146 PolarHBondContact N-OG 2.78Å; V126-S146 VanDerWaalsContact N-OG 3.16Å; V126-S146 PolarHBondContact O-N 2.88Å; S146-K173 PolarHBondContact O-N 2.86Å
147F95.1Very high85.9Confident6 Ų640.8 Ų40.83%0.02620%0.204CC..EExtended strand (participates in β ladder)trans-127.8136.2177.9-60.5-80.2000111L91 L125 V126 F127 R128 K173 I175L91-F147 HydrophobicContact CB-CE1 4.35Å; L91-F147 HydrophobicContact CB-CZ 4.04Å; L91-F147 HydrophobicContact CD2-CD1 3.86Å; L91-F147 HydrophobicContact CD2-CE1 3.32Å; L91-F147 HydrophobicContact CD2-CZ 3.83Å; L91-F147 HydrophobicContact CG-CE1 4.43Å; L91-F147 WeakPolarHBondContact O-CZ 3.41Å; L125-F147 HydrophobicContact CB-CE2 4.37Å; L125-F147 HydrophobicContact CD1-CE2 4.12Å; L125-F147 HydrophobicContact CD2-CE2 4.07Å; L125-F147 HydrophobicContact CG-CE2 4.4Å; V126-F147 PolarHBondContact O-N 2.82Å; F127-F147 WeakPolarHBondContact CA-O 3.38Å; F127-F147 HydrophobicContact CD1-CB 3.48Å; F127-F147 VanDerWaalsContact CD1-CB 3.48Å; F127-F147 AromaticContact CD1-CD2 3.8Å; F127-F147 HydrophobicContact CD1-CD2 3.8Å; F127-F147 AromaticContact CD1-CG 3.84Å; F127-F147 HydrophobicContact CD1-CG 3.84Å; F127-F147 HydrophobicContact CD2-CD2 4.14Å; F127-F147 HydrophobicContact CE1-CB 3.78Å; F127-F147 HydrophobicContact CE1-CD1 4.42Å; F127-F147 AromaticContact CE1-CD2 3.37Å; F127-F147 HydrophobicContact CE1-CD2 3.37Å; F127-F147 HydrophobicContact CE1-CE2 4.1Å; F127-F147 AromaticContact CE1-CG 3.58Å; F127-F147 HydrophobicContact CE1-CG 3.58Å; F127-F147 AromaticContact CE2-CD2 3.72Å; F127-F147 HydrophobicContact CE2-CD2 3.72Å; F127-F147 HydrophobicContact CE2-CE2 4.19Å; F127-F147 HydrophobicContact CG-CB 4.05Å; F127-F147 HydrophobicContact CG-CD2 4.17Å; F127-F147 HydrophobicContact CG-CG 4.5Å; F127-F147 AromaticContact CZ-CD2 3.33Å; F127-F147 HydrophobicContact CZ-CD2 3.33Å; F127-F147 AromaticContact CZ-CE2 3.71Å; F127-F147 HydrophobicContact CZ-CE2 3.71Å; F127-F147 HydrophobicContact CZ-CG 4.04Å; R128-F147 PolarHBondContact N-O 2.81Å; F147-K173 CarbonylContact C-O 3.04Å; F147-K173 VanDerWaalsContact CA-O 3.26Å; F147-K173 WeakPolarHBondContact CA-O 3.42Å; F147-K173 HydrophobicContact CD1-CB 3.6Å; F147-K173 HydrophobicContact CD1-CG 4.37Å; F147-K173 HydrophobicContact CE1-CB 3.62Å; F147-K173 HydrophobicContact CE1-CG 3.92Å; F147-I175 HydrophobicContact CB-CD1 4Å; F147-I175 HydrophobicContact CB-CG1 4.47Å; F147-I175 HydrophobicContact CD1-CD1 3.77Å; F147-I175 HydrophobicContact CD1-CG1 4.13Å; F147-I175 HydrophobicContact CG-CD1 4.11Å
148Y93.1Very high84.9Confident0 Ų040.9 Ų40.90%020%0.203CC..EExtended strand (participates in β ladder)trans-122.9111.1173.6-177.1-96.1000110.5R128 N130 A132 F150 L155 F163 V166 P167 K173 F174 I175R128-Y148 HydrophobicContact CB-CD2 4.21Å; R128-Y148 CarbonylContact O-C 3.57Å; R128-Y148 WeakPolarHBondContact O-CA 3.34Å; N130-Y148 PolarHBondContact O-OH 3.38Å; A132-Y148 HydrophobicContact CB-CE2 4.05Å; Y148-F150 HydrophobicContact CD1-CB 4.31Å; Y148-F150 HydrophobicContact CD1-CD1 4.49Å; Y148-F150 HydrophobicContact CE1-CB 3.86Å; Y148-L155 HydrophobicContact CE1-CD2 3.97Å; Y148-F163 VanDerWaalsContact OH-CZ 3.29Å; Y148-F163 WeakPolarHBondContact OH-CZ 3.19Å; Y148-V166 HydrophobicContact CD1-CB 4.27Å; Y148-V166 HydrophobicContact CD1-CG1 4.31Å; Y148-V166 HydrophobicContact CE1-CB 3.83Å; Y148-V166 HydrophobicContact CE1-CG1 3.49Å; Y148-V166 VanDerWaalsContact CE1-CG1 3.49Å; Y148-P167 VanDerWaalsContact CD2-CD 3.48Å; Y148-P167 HydrophobicContact CD2-CG 3.53Å; Y148-P167 HydrophobicContact CE2-CG 4.13Å; Y148-P167 HydrophobicContact CG-CG 3.9Å; Y148-K173 PolarHBondContact N-O 3.05Å; Y148-F174 AromaticContact CD1-CD1 3.95Å; Y148-F174 HydrophobicContact CD1-CD1 3.95Å; Y148-F174 HydrophobicContact CD1-CE1 4.3Å; Y148-F174 HydrophobicContact CG-CD1 4.42Å; Y148-F174 CarbonylContact O-C 3.6Å; Y148-F174 WeakPolarHBondContact O-CA 3.41Å; Y148-I175 PolarHBondContact O-N 3.48Å
149G90.3Very high83.9Confident0 Ų044.8 Ų44.80%022%0.215CC..EExtended strand (participates in β ladder)trans-84.9133.1177.900000111.7R128 M129 N130 I175R128-G149 PolarHBondContact O-N 2.89Å; M129-G149 VanDerWaalsContact CA-O 3.24Å; M129-G149 WeakPolarHBondContact CA-O 3.4Å; M129-G149 WeakPolarHBondContact CB-O 3.45Å; N130-G149 PolarHBondContact N-O 2.67Å; G149-I175 WeakPolarHBondContact CA-O 3.15Å
150F81.7Confident83Confident11 Ų1142.1 Ų42.15%0.04821%0.212CC..EExtended strand (participates in β ladder)trans-145.1149179.471.9-77.5000112.9Y148 T152 L155 F174 I175 F176 I177 F211Y148-F150 HydrophobicContact CD1-CB 4.31Å; Y148-F150 HydrophobicContact CD1-CD1 4.49Å; Y148-F150 HydrophobicContact CE1-CB 3.86Å; F150-T152 HydrophobicContact CE2-CG2 4.48Å; F150-L155 HydrophobicContact CB-CD2 3.89Å; F150-L155 HydrophobicContact CB-CG 4.4Å; F150-L155 HydrophobicContact CD2-CD1 3.98Å; F150-L155 HydrophobicContact CD2-CG 4.43Å; F150-F174 HydrophobicContact CD1-CB 4.44Å; F150-F174 HydrophobicContact CE1-CB 3.91Å; F150-I175 WeakPolarHBondContact CD1-O 3.29Å; F150-I175 PolarHBondContact N-O 3.09Å; F150-F176 HydrophobicContact CD2-CD2 4.3Å; F150-F176 HydrophobicContact CE1-CB 4.11Å; F150-F176 AromaticContact CE2-CD2 3.74Å; F150-F176 HydrophobicContact CE2-CD2 3.74Å; F150-F176 HydrophobicContact CE2-CE2 4.5Å; F150-F176 HydrophobicContact CZ-CB 3.92Å; F150-F176 AromaticContact CZ-CD2 3.93Å; F150-F176 HydrophobicContact CZ-CD2 3.93Å; F150-F176 HydrophobicContact CZ-CG 4.35Å; F150-I177 PolarHBondContact O-N 2.74Å; F150-F211 HydrophobicContact CD1-CE1 4.23Å; F150-F211 HydrophobicContact CD1-CZ 4.13Å; F150-F211 AromaticContact CD2-CZ 3.88Å; F150-F211 HydrophobicContact CD2-CZ 3.88Å; F150-F211 HydrophobicContact CE1-CE1 4.12Å; F150-F211 AromaticContact CE1-CZ 3.83Å; F150-F211 HydrophobicContact CE1-CZ 3.83Å; F150-F211 HydrophobicContact CE2-CE2 4.14Å; F150-F211 AromaticContact CE2-CZ 3.54Å; F150-F211 HydrophobicContact CE2-CZ 3.54Å; F150-F211 HydrophobicContact CG-CE1 4.49Å; F150-F211 HydrophobicContact CG-CZ 4.16Å; F150-F211 HydrophobicContact CZ-CE1 4.25Å; F150-F211 HydrophobicContact CZ-CE2 4.08Å; F150-F211 AromaticContact CZ-CZ 3.51Å; F150-F211 HydrophobicContact CZ-CZ 3.51Å
151T75.6Confident81.9Confident11 Ų1143 Ų437%0.06722%0.217CC..  trans-104.9155.5156.170.90000107.5N153 T154 I177 S179 M250T151-N153 PolarHBondContact O-N 3.3Å; T151-T154 PolarHBondContact N-OG1 2.95Å; T151-T154 PolarHBondContact O-N 3.32Å; T151-T154 PolarHBondContact O-OG1 3.28Å; T151-T154 VanDerWaalsContact OG1-CG2 3.22Å; T151-T154 WeakPolarHBondContact OG1-CG2 3.37Å; T151-T154 PolarHBondContact OG1-N 3.37Å; T151-T154 PolarHBondContact OG1-OG1 3.23Å; T151-T154 VanDerWaalsContact OG1-OG1 3.09Å; T151-I177 HydrophobicContact CG2-CB 4Å; T151-I177 HydrophobicContact CG2-CD1 4.48Å; T151-I177 HydrophobicContact CG2-CG2 4.26Å; T151-S179 VanDerWaalsContact CB-OG 3.26Å; T151-S179 WeakPolarHBondContact CB-OG 3.38Å; T151-S179 VanDerWaalsContact CG2-OG 3.23Å; T151-S179 WeakPolarHBondContact CG2-OG 3.25Å; T151-M250 HydrophobicContact CG2-CE 4.21Å
152T65.1Low81Confident14 Ų1445.3 Ų45.39%0.08624%0.241CC..THydrogen-bonded Turntrans-68.3-23.6-17650.60000113.7F150 F176 L200 V203F150-T152 HydrophobicContact CE2-CG2 4.48Å; T152-F176 HydrophobicContact CG2-CE2 3.81Å; T152-L200 HydrophobicContact CG2-CD1 3.25Å; T152-L200 WeakPolarHBondContact OG1-CD1 3.2Å; T152-V203 HydrophobicContact CG2-CB 4.13Å; T152-V203 HydrophobicContact CG2-CG1 4.06Å
153N61.9Low80.3Confident56 Ų5645.6 Ų45.630%0.29924%0.242SC..THydrogen-bonded Turntrans-78.7-36.6178.3-162.323.7000111.4T151 L155 W157T151-N153 PolarHBondContact O-N 3.3Å; N153-L155 VanDerWaalsContact C-N 3.28Å; N153-L155 PolarHBondContact O-N 2.83Å; N153-W157 PolarHBondContact O-NE1 2.76Å; N153-W157 PolarHBondContact OD1-NE1 2.73Å
154T65.4Low79.6Confident26 Ų2646.4 Ų46.416%0.1626%0.258CS..Hα-helixtrans-71.2-18.5-17254.20000114.3N130 T151 S156 Y158N130-T154 PolarHBondContact OD1-OG1 3.49Å; T151-T154 PolarHBondContact N-OG1 2.95Å; T151-T154 PolarHBondContact O-N 3.32Å; T151-T154 PolarHBondContact O-OG1 3.28Å; T151-T154 VanDerWaalsContact OG1-CG2 3.22Å; T151-T154 WeakPolarHBondContact OG1-CG2 3.37Å; T151-T154 PolarHBondContact OG1-N 3.37Å; T151-T154 PolarHBondContact OG1-OG1 3.23Å; T151-T154 VanDerWaalsContact OG1-OG1 3.09Å; T154-S156 PolarHBondContact O-N 3.2Å; T154-Y158 WeakPolarHBondContact O-CD2 3.1Å; T154-Y158 WeakPolarHBondContact O-CE2 3.42Å
155L66.4Low78.9Confident6 Ų644.8 Ų44.83%0.03126%0.261CS..Hα-helixtrans-68.3-28-175.5-63.6-176.2000114.7Y148 F150 N153 V166 Y210 F211Y148-L155 HydrophobicContact CE1-CD2 3.97Å; F150-L155 HydrophobicContact CB-CD2 3.89Å; F150-L155 HydrophobicContact CB-CG 4.4Å; F150-L155 HydrophobicContact CD2-CD1 3.98Å; F150-L155 HydrophobicContact CD2-CG 4.43Å; N153-L155 VanDerWaalsContact C-N 3.28Å; N153-L155 PolarHBondContact O-N 2.83Å; L155-V166 HydrophobicContact CD1-CG1 4.33Å; L155-V166 HydrophobicContact CD2-CG1 3.43Å; L155-V166 VanDerWaalsContact CD2-CG1 3.43Å; L155-V166 HydrophobicContact CG-CG1 4.46Å; L155-Y210 HydrophobicContact CB-CD1 4.42Å; L155-Y210 HydrophobicContact CD1-CD1 4.07Å; L155-Y210 HydrophobicContact CD1-CG 4.43Å; L155-F211 HydrophobicContact CD1-CZ 3.89Å
156S66.3Low78.5Confident60 Ų6044.1 Ų44.142%0.4226%0.258SS..Hα-helixtrans-96.2-18.9-178.552.90000114.2T154T154-S156 PolarHBondContact O-N 3.2Å
157W68.2Low78.2Confident166 Ų16644.2 Ų44.263%0.62926%0.258SS*.Hα-helixtrans-73.1-31.3-168.9-75.948.1000113.4N153 P160N153-W157 PolarHBondContact O-NE1 2.76Å; N153-W157 PolarHBondContact OD1-NE1 2.73Å; W157-P160 WeakPolarHBondContact O-CD 3.02Å
158Y74.4Confident78Confident45 Ų4548.9 Ų48.918%0.17628%0.279CS..THydrogen-bonded Turntrans-911.9-174.1-58.7-75.4000114.5N130 G131 T154 P160 D161 F163 H281 Y283N130-Y158 HydrophobicContact CB-CE2 3.87Å; G131-Y158 VanDerWaalsContact CA-CD2 3.47Å; G131-Y158 VanDerWaalsContact N-CD2 3.31Å; T154-Y158 WeakPolarHBondContact O-CD2 3.1Å; T154-Y158 WeakPolarHBondContact O-CE2 3.42Å; Y158-P160 VanDerWaalsContact C-CD 3.45Å; Y158-D161 PolarHBondContact O-N 2.77Å; Y158-F163 VanDerWaalsContact O-CB 3.22Å; Y158-F163 WeakPolarHBondContact O-CB 3.42Å; Y158-F163 PolarHBondContact O-N 3.15Å; Y158-H281 AromaticContact CE1-NE2 3.91Å; Y158-Y283 WeakPolarHBondContact CD1-OH 3.25Å
159R77.8Confident77.7Confident154 Ų15449.7 Ų49.758%0.58129%0.288SS*.G310 helixtrans-55.6-42.8179.4-75-173.1175.8179.6-2.2113.6D161 G162R159-D161 PolarHBondContact O-N 3.12Å; R159-G162 PolarHBondContact O-N 2.74Å
160P79.5Confident77.4Confident112 Ų11254.8 Ų54.873%0.72732%0.321SS*.G310 helixtrans-62.3-24.6177.5-2335.7000113.7W157 Y158 G162W157-P160 WeakPolarHBondContact O-CD 3.02Å; Y158-P160 VanDerWaalsContact C-CD 3.45Å; P160-G162 VanDerWaalsContact C-N 3.34Å
161D74.9Confident77.7Confident36 Ų3660.6 Ų60.619%0.19335%0.352CS..G310 helixtrans-95.217.3-177.9-51.5-57.8000112.5Y158 R159 Y283 R288Y158-D161 PolarHBondContact O-N 2.77Å; R159-D161 PolarHBondContact O-N 3.12Å; D161-Y283 HydrophobicContact CB-CD2 3.86Å; D161-Y283 HydrophobicContact CB-CE2 3.63Å; D161-Y283 WeakPolarHBondContact O-CD2 3.46Å; D161-R288 IonicContact OD1-CZ 2.89Å; D161-R288 IonicContact OD1-NH1 3.99Å; D161-R288 PolarHBondContact OD1-NH1 2.89Å; D161-R288 IonicContact OD1-NH2 3.75Å; D161-R288 PolarHBondContact OD1-NH2 3.06Å; D161-R288 IonicContact OD2-NH1 3.21Å
162G79Confident78.4Confident50 Ų5060.4 Ų60.452%0.51535%0.351SS..THydrogen-bonded Turntrans95.14.7174.600000115.4R159 P160 A164R159-G162 PolarHBondContact O-N 2.74Å; P160-G162 VanDerWaalsContact C-N 3.34Å; G162-A164 PolarHBondContact O-N 2.93Å
163F84.9Confident79.6Confident6 Ų662.2 Ų62.23%0.02636%0.358CS..  trans-73.894.6174.2-173.4-112.3000111.3V133 Y148 Y158 G165 V166V133-F163 HydrophobicContact CG2-CB 4.09Å; V133-F163 HydrophobicContact CG2-CD2 4.35Å; Y148-F163 VanDerWaalsContact OH-CZ 3.29Å; Y148-F163 WeakPolarHBondContact OH-CZ 3.19Å; Y158-F163 VanDerWaalsContact O-CB 3.22Å; Y158-F163 WeakPolarHBondContact O-CB 3.42Å; Y158-F163 PolarHBondContact O-N 3.15Å; F163-G165 VanDerWaalsContact C-N 3.3Å; F163-G165 WeakPolarHBondContact CE2-O 3.31Å; F163-G165 VanDerWaalsContact CZ-O 3.25Å; F163-G165 WeakPolarHBondContact CZ-O 3.39Å; F163-G165 PolarHBondContact O-N 3.04Å; F163-V166 HydrophobicContact CZ-CG1 4.18Å
164A81.3Confident80.8Confident104 Ų10459.5 Ų59.586%0.8634%0.343SS*.  trans-67.7-28.7-179.800000113.2G162G162-A164 PolarHBondContact O-N 2.93Å
165G83.9Confident81.8Confident38 Ų3858.3 Ų58.339%0.39234%0.336SS..SBendtrans162.9174.718000000112F163F163-G165 VanDerWaalsContact C-N 3.3Å; F163-G165 WeakPolarHBondContact CE2-O 3.31Å; F163-G165 VanDerWaalsContact CZ-O 3.25Å; F163-G165 WeakPolarHBondContact CZ-O 3.39Å; F163-G165 PolarHBondContact O-N 3.04Å
166V87.4Confident82.6Confident9 Ų960.3 Ų60.36%0.05534%0.344CS..SBendtrans-65146.7176.3-53.10000110.3Y148 L155 F163 Q168 F174 Y210 F211Y148-V166 HydrophobicContact CD1-CB 4.27Å; Y148-V166 HydrophobicContact CD1-CG1 4.31Å; Y148-V166 HydrophobicContact CE1-CB 3.83Å; Y148-V166 HydrophobicContact CE1-CG1 3.49Å; Y148-V166 VanDerWaalsContact CE1-CG1 3.49Å; L155-V166 HydrophobicContact CD1-CG1 4.33Å; L155-V166 HydrophobicContact CD2-CG1 3.43Å; L155-V166 VanDerWaalsContact CD2-CG1 3.43Å; L155-V166 HydrophobicContact CG-CG1 4.46Å; F163-V166 HydrophobicContact CZ-CG1 4.18Å; V166-Q168 PolarHBondContact O-N 3.18Å; V166-Q168 PolarHBondContact O-NE2 2.75Å; V166-Q168 VanDerWaalsContact O-NE2 3.15Å; V166-F174 HydrophobicContact CB-CE1 4.48Å; V166-F174 HydrophobicContact CG2-CE1 4.14Å; V166-Y210 WeakPolarHBondContact CG2-O 3.06Å; V166-F211 HydrophobicContact CB-CE1 4.48Å; V166-F211 HydrophobicContact CG1-CE1 4.14Å; V166-F211 HydrophobicContact CG2-CD1 3.74Å; V166-F211 HydrophobicContact CG2-CE1 4.09Å
167P90.3Very high83.2Confident18 Ų1857.8 Ų57.812%0.11733%0.326CS..  trans-59.9140.3178.824.7-34.1000111.1V145 Y148 I172V145-P167 HydrophobicContact CB-CB 4.38Å; V145-P167 HydrophobicContact CB-CG 4.49Å; V145-P167 HydrophobicContact CG1-CB 4.3Å; V145-P167 HydrophobicContact CG1-CG 3.89Å; V145-P167 HydrophobicContact CG2-CB 3.87Å; V145-P167 HydrophobicContact CG2-CG 4.19Å; Y148-P167 VanDerWaalsContact CD2-CD 3.48Å; Y148-P167 HydrophobicContact CD2-CG 3.53Å; Y148-P167 HydrophobicContact CE2-CG 4.13Å; Y148-P167 HydrophobicContact CG-CG 3.9Å; P167-I172 HydrophobicContact CB-CD1 4.01Å
168Q89.6Confident83.5Confident104 Ų10450.7 Ų50.749%0.48630%0.302SS..  trans-111.5135.8-179.2-59.9-61-38.200110V166 I172 Y210 F211V166-Q168 PolarHBondContact O-N 3.18Å; V166-Q168 PolarHBondContact O-NE2 2.75Å; V166-Q168 VanDerWaalsContact O-NE2 3.15Å; Q168-I172 VanDerWaalsContact C-CD1 3.45Å; Q168-Y210 PolarHBondContact NE2-O 3.49Å; Q168-Y210 VanDerWaalsContact NE2-O 3.09Å; Q168-F211 PolarHBondContact OE1-O 3.22Å; Q168-F211 VanDerWaalsContact OE1-O 3.05Å
169G87.9Confident83Confident17 Ų1749 Ų4918%0.17530%0.297CS..  trans-175.6150.7175.100000110.5D171 K214G169-D171 PolarHBondContact O-N 3.41Å; G169-K214 PolarHBondContact O-NZ 3.13Å
170P84.7Confident82.1Confident107 Ų10745.1 Ų45.170%0.69529%0.285SS*.THydrogen-bonded Turntrans-61.8-34.8-177.624.2-32.6000112.2
171D87.1Confident80.5Confident133 Ų13340.3 Ų40.371%0.71125%0.253SS*.THydrogen-bonded Turntrans-98.2-0.9-173-55.1-51.8000114.3G169 K173G169-D171 PolarHBondContact O-N 3.41Å; D171-K173 PolarHBondContact O-N 3.22Å
172I91Very high79Confident8 Ų846.5 Ų46.54%0.04127%0.274CS..PPolyproline II helixtrans-69129.7-178.9-59.3-177.3000109.8V145 P167 Q168 F174V145-I172 HydrophobicContact CB-CD1 3.96Å; V145-I172 HydrophobicContact CB-CG1 4.35Å; V145-I172 HydrophobicContact CG1-CD1 4.16Å; V145-I172 HydrophobicContact CG1-CG1 4.49Å; V145-I172 HydrophobicContact CG1-CG2 4.23Å; P167-I172 HydrophobicContact CB-CD1 4.01Å; Q168-I172 VanDerWaalsContact C-CD1 3.45Å; I172-F174 HydrophobicContact CB-CZ 4.33Å; I172-F174 HydrophobicContact CG2-CD1 4.35Å; I172-F174 HydrophobicContact CG2-CE1 3.91Å; I172-F174 HydrophobicContact CG2-CE2 4.25Å; I172-F174 HydrophobicContact CG2-CZ 3.86Å
173K89.4Confident77.1Confident51 Ų5145.9 Ų45.922%0.22226%0.261CS..EExtended strand (participates in β ladder)trans-102.9125.7171.6-54.5-56178.1-173.50110.6S146 F147 Y148 D171 E217 S218S146-K173 PolarHBondContact O-N 2.86Å; F147-K173 CarbonylContact C-O 3.04Å; F147-K173 VanDerWaalsContact CA-O 3.26Å; F147-K173 WeakPolarHBondContact CA-O 3.42Å; F147-K173 HydrophobicContact CD1-CB 3.6Å; F147-K173 HydrophobicContact CD1-CG 4.37Å; F147-K173 HydrophobicContact CE1-CB 3.62Å; F147-K173 HydrophobicContact CE1-CG 3.92Å; Y148-K173 PolarHBondContact N-O 3.05Å; D171-K173 PolarHBondContact O-N 3.22Å; K173-E217 PolarHBondContact NZ-O 3.01Å; K173-E217 VanDerWaalsContact NZ-O 3.15Å; K173-S218 CarbonylContact C-O 3.46Å; K173-S218 VanDerWaalsContact CA-O 3.27Å; K173-S218 WeakPolarHBondContact CA-O 3.33Å
174F86.9Confident74.8Confident0 Ų048.5 Ų48.50%027%0.271CS..EExtended strand (participates in β ladder)trans-92.8121.3179.9-60.2-78.3000109.7Y148 F150 V166 I172 F211 K214 S218 F219 R220Y148-F174 AromaticContact CD1-CD1 3.95Å; Y148-F174 HydrophobicContact CD1-CD1 3.95Å; Y148-F174 HydrophobicContact CD1-CE1 4.3Å; Y148-F174 HydrophobicContact CG-CD1 4.42Å; Y148-F174 CarbonylContact O-C 3.6Å; Y148-F174 WeakPolarHBondContact O-CA 3.41Å; F150-F174 HydrophobicContact CD1-CB 4.44Å; F150-F174 HydrophobicContact CE1-CB 3.91Å; V166-F174 HydrophobicContact CB-CE1 4.48Å; V166-F174 HydrophobicContact CG2-CE1 4.14Å; I172-F174 HydrophobicContact CB-CZ 4.33Å; I172-F174 HydrophobicContact CG2-CD1 4.35Å; I172-F174 HydrophobicContact CG2-CE1 3.91Å; I172-F174 HydrophobicContact CG2-CE2 4.25Å; I172-F174 HydrophobicContact CG2-CZ 3.86Å; F174-F211 HydrophobicContact CB-CE1 4.49Å; F174-F211 AromaticContact CD1-CD1 3.46Å; F174-F211 HydrophobicContact CD1-CD1 3.46Å; F174-F211 VanDerWaalsContact CD1-CD1 3.46Å; F174-F211 AromaticContact CD1-CE1 3.63Å; F174-F211 HydrophobicContact CD1-CE1 3.63Å; F174-F211 HydrophobicContact CD2-CD1 4.15Å; F174-F211 AromaticContact CE1-CD1 3.54Å; F174-F211 HydrophobicContact CE1-CD1 3.54Å; F174-F211 HydrophobicContact CE1-CE1 4.05Å; F174-F211 HydrophobicContact CE2-CB 4.35Å; F174-F211 HydrophobicContact CE2-CD1 4.21Å; F174-F211 AromaticContact CG-CD1 3.78Å; F174-F211 HydrophobicContact CG-CD1 3.78Å; F174-F211 HydrophobicContact CG-CE1 4.09Å; F174-F211 HydrophobicContact CZ-CB 4.47Å; F174-F211 AromaticContact CZ-CD1 3.91Å; F174-F211 HydrophobicContact CZ-CD1 3.91Å; F174-K214 HydrophobicContact CE2-CD 4.32Å; F174-K214 HydrophobicContact CE2-CG 4.08Å; F174-S218 PolarHBondContact N-O 2.84Å; F174-F219 HydrophobicContact CB-CD1 3.79Å; F174-F219 HydrophobicContact CB-CE1 4.04Å; F174-F219 HydrophobicContact CD2-CD1 4.32Å; F174-F219 AromaticContact CD2-CE1 3.94Å; F174-F219 HydrophobicContact CD2-CE1 3.94Å; F174-F219 HydrophobicContact CD2-CZ 4.35Å; F174-F219 HydrophobicContact CG-CD1 4.41Å; F174-F219 HydrophobicContact CG-CE1 4.19Å; F174-F219 CarbonylContact O-C 3.59Å; F174-F219 WeakPolarHBondContact O-CA 3.23Å; F174-R220 PolarHBondContact O-N 3.31Å
175I86.9Confident72.4Confident0 Ų050.4 Ų50.40%026%0.256CS..EExtended strand (participates in β ladder)trans-103.7109.1-179.7-54.6-176.5000108.6L91 F127 F147 Y148 G149 F150 R220 L222 M254L91-I175 HydrophobicContact CD2-CD1 4.14Å; F127-I175 HydrophobicContact CE1-CD1 4.38Å; F147-I175 HydrophobicContact CB-CD1 4Å; F147-I175 HydrophobicContact CB-CG1 4.47Å; F147-I175 HydrophobicContact CD1-CD1 3.77Å; F147-I175 HydrophobicContact CD1-CG1 4.13Å; F147-I175 HydrophobicContact CG-CD1 4.11Å; Y148-I175 PolarHBondContact O-N 3.48Å; G149-I175 WeakPolarHBondContact CA-O 3.15Å; F150-I175 WeakPolarHBondContact CD1-O 3.29Å; F150-I175 PolarHBondContact N-O 3.09Å; I175-R220 HydrophobicContact CG1-CB 4.29Å; I175-L222 HydrophobicContact CG2-CD2 3.76Å; I175-L222 HydrophobicContact CG2-CG 3.83Å; I175-M254 HydrophobicContact CB-SD 4.39Å; I175-M254 HydrophobicContact CD1-CE 4.23Å; I175-M254 HydrophobicContact CD1-SD 4.41Å; I175-M254 HydrophobicContact CG2-SD 4.44Å
176F82.4Confident69.9Low48 Ų4857.4 Ų57.421%0.21127%0.271CS..EExtended strand (participates in β ladder)trans-76.8127.9173.8178.8-121.8000110.9F150 T152 P178 R220 M221 L222F150-F176 HydrophobicContact CD2-CD2 4.3Å; F150-F176 HydrophobicContact CE1-CB 4.11Å; F150-F176 AromaticContact CE2-CD2 3.74Å; F150-F176 HydrophobicContact CE2-CD2 3.74Å; F150-F176 HydrophobicContact CE2-CE2 4.5Å; F150-F176 HydrophobicContact CZ-CB 3.92Å; F150-F176 AromaticContact CZ-CD2 3.93Å; F150-F176 HydrophobicContact CZ-CD2 3.93Å; F150-F176 HydrophobicContact CZ-CG 4.35Å; T152-F176 HydrophobicContact CG2-CE2 3.81Å; F176-P178 HydrophobicContact CE1-CB 4.09Å; F176-R220 PolarHBondContact N-O 3.08Å; F176-M221 HydrophobicContact CD1-CE 4.05Å; F176-M221 HydrophobicContact CD1-CG 3.98Å; F176-M221 HydrophobicContact CD1-SD 4.23Å; F176-M221 HydrophobicContact CE1-CE 4.03Å; F176-M221 WeakPolarHBondContact O-CA 3.35Å; F176-L222 PolarHBondContact O-N 3.39Å
177I80.8Confident67.2Low7 Ų768 Ų684%0.03631%0.31CS..  trans-101.6111.9173.7-56.8161.1000107.1F150 T151 S179 L222 I227 M250 T253 M254F150-I177 PolarHBondContact O-N 2.74Å; T151-I177 HydrophobicContact CG2-CB 4Å; T151-I177 HydrophobicContact CG2-CD1 4.48Å; T151-I177 HydrophobicContact CG2-CG2 4.26Å; I177-S179 PolarHBondContact O-N 3.14Å; I177-L222 HydrophobicContact CG1-CD1 3.9Å; I177-L222 HydrophobicContact CG1-CG 4.44Å; I177-L222 HydrophobicContact CG2-CD1 4.44Å; I177-I227 HydrophobicContact CG2-CD1 4.45Å; I177-M250 HydrophobicContact CG2-CE 4.19Å; I177-M250 HydrophobicContact CG2-SD 3.82Å; I177-T253 WeakPolarHBondContact CD1-OG1 3.3Å; I177-T253 HydrophobicContact CG2-CG2 4.41Å; I177-M254 HydrophobicContact CD1-CG 4.28Å
178P72.7Confident64.5Low18 Ų1870.3 Ų70.312%0.11734%0.337CS..  trans-72.475-177.927.1-33.1000111.5P57 F176 M221 P224 I227P57-P178 WeakPolarHBondContact CA-O 3.24Å; P57-P178 WeakPolarHBondContact CB-O 3.47Å; F176-P178 HydrophobicContact CE1-CB 4.09Å; P178-M221 HydrophobicContact CB-CE 3.53Å; P178-M221 HydrophobicContact CG-CE 3.76Å; P178-P224 HydrophobicContact CG-CG 4.44Å; P178-I227 HydrophobicContact CG-CD1 3.8Å
179S64.2Low61.7Low10 Ų1076.5 Ų76.57%0.0736%0.356CS..  trans-86.7-26.9-164.860.30000117.3P57 T151 I177P57-S179 WeakPolarHBondContact CD-O 3.33Å; T151-S179 VanDerWaalsContact CB-OG 3.26Å; T151-S179 WeakPolarHBondContact CB-OG 3.38Å; T151-S179 VanDerWaalsContact CG2-OG 3.23Å; T151-S179 WeakPolarHBondContact CG2-OG 3.25Å; I177-S179 PolarHBondContact O-N 3.14Å
180E60.1Low59.1Low71 Ų7183.3 Ų83.333%0.33239%0.388SS..  trans-143.5140.4-163.4-76.2-166.4-143.700116.3
181T46.3Very low56.7Low11 Ų1182.3 Ų82.37%0.06740%0.397CS..SBendtrans-90.8-13.9165.510.60000113.8P56 K61 C183 W184P56-T181 VanDerWaalsContact CD-OG1 3.28Å; P56-T181 WeakPolarHBondContact CD-OG1 3.35Å; P56-T181 HydrophobicContact CG-CG2 3.46Å; P56-T181 VanDerWaalsContact CG-CG2 3.46Å; K61-T181 WeakPolarHBondContact O-CG2 3.34Å; T181-C183 PolarHBondContact O-N 3.27Å; T181-W184 WeakPolarHBondContact O-CB 3.36Å; T181-W184 PolarHBondContact O-N 3.32Å
182R42.7Very low54.1Low166 Ų16683.3 Ų83.363%0.62640%0.397SS*.THydrogen-bonded Turntrans-63.6-19-167.1-77.9-174.7170.2-155.6-0.8113.4W184R182-W184 PolarHBondContact O-N 2.64Å
183C39Very low51.3Low37 Ų3790.4 Ų90.425%0.2544%0.435CS..THydrogen-bonded Turntrans-65.7-18.2169-71.90000114.3T181 S198 L200T181-C183 PolarHBondContact O-N 3.27Å; C183-S198 WeakPolarHBondContact CB-OG 3.46Å; C183-L200 HydrophobicContact CB-CB 3.88Å; C183-L200 HydrophobicContact CB-CD2 4.05Å; C183-L200 WeakPolarHBondContact SG-CB 3.36Å
184W35.6Very low48.6Very low61 Ų6194.7 Ų94.723%0.23146%0.456CS..THydrogen-bonded Turntrans-106.6-23.3-174.6-54.1113.2000113.9G62 L63 P64 V67 T181 R182 R186 L200G62-W184 WeakPolarHBondContact O-CB 3.35Å; L63-W184 HydrophobicContact CD2-CD2 4.48Å; L63-W184 VanDerWaalsContact CD2-CE2 3.47Å; L63-W184 HydrophobicContact CD2-CZ2 3.55Å; P64-W184 HydrophobicContact CG-CE3 4.11Å; P64-W184 HydrophobicContact CG-CH2 4.28Å; P64-W184 HydrophobicContact CG-CZ3 3.8Å; V67-W184 HydrophobicContact CG2-CH2 4.27Å; T181-W184 WeakPolarHBondContact O-CB 3.36Å; T181-W184 PolarHBondContact O-N 3.32Å; R182-W184 PolarHBondContact O-N 2.64Å; W184-R186 PolarHBondContact O-N 3.2Å; W184-R186 VanDerWaalsContact O-N 3.11Å; W184-L200 HydrophobicContact CZ2-CD2 3.52Å
185R32.3Very low46.2Very low144 Ų144101.3 Ų101.354%0.54350%0.497SS..  trans-90.869.5-172.6-145.8-172.3-61.2159.30.1111.4R187 D247R185-R187 PolarHBondContact O-N 3.01Å; R185-D247 IonicContact NH1-OD2 3.92Å; R185-D247 IonicContact NH2-OD2 3.86Å
186R30.8Very low43.8Very low186 Ų186108.7 Ų108.770%0.70253%0.531SS*.  trans-67.286.9152.5176.8166.8140.9152.1-6.6107.4W184 G188W184-R186 PolarHBondContact O-N 3.2Å; W184-R186 VanDerWaalsContact O-N 3.11Å; R186-G188 PolarHBondContact O-N 3.09Å
187R30.2Very low41.9Very low230 Ų230109.1 Ų109.187%0.86854%0.54SS*.  trans-83.8107.6157.4-151.9175.9-170.6-177.21.6105.5R185 R189R185-R187 PolarHBondContact O-N 3.01Å; R187-R189 PolarHBondContact O-N 3.5Å; R187-R189 VanDerWaalsContact O-N 3.15Å
188G34.2Very low40.3Very low68 Ų68109.9 Ų109.970%0.70155%0.546SS*.  trans-46.3120.5-179.400000111.2R186R186-G188 PolarHBondContact O-N 3.09Å
189R29.7Very low39Very low233 Ų233110.9 Ų110.988%0.87956%0.56SS**  trans-128.3106.6160.2-135.2179.7177.8172.6-1.7106.5R187R187-R189 PolarHBondContact O-N 3.5Å; R187-R189 VanDerWaalsContact O-N 3.15Å
190L34.7Very low38.1Very low160 Ų160111 Ų11184%0.83856%0.559SS**SBendtrans41.9102.4168.7-76.786.2000117.9Q192L190-Q192 PolarHBondContact O-N 3.05Å
191G34.4Very low37.4Very low86 Ų86110.2 Ų110.289%0.88756%0.557SS**SBend80.417.4126.700000119.5
192Q32.5Very low37.5Very low154 Ų154114.2 Ų114.272%0.7257%0.574SS**  trans-127.8121.6169.6-69.4-172.3-0.300112.5L190 E194L190-Q192 PolarHBondContact O-N 3.05Å; Q192-E194 PolarHBondContact O-N 3Å; Q192-E194 VanDerWaalsContact O-N 3.13Å
193N31.6Very low38Very low157 Ų157106.6 Ų106.684%0.8455%0.546SS*.  trans-80.562.6172.9-95.2-10.1000110.2
194E33.4Very low38.6Very low141 Ų141107.4 Ų107.466%0.65955%0.548SS*.  trans-110.5104.2166.3-72.7-169.8166.100109.6Q192 E196Q192-E194 PolarHBondContact O-N 3Å; Q192-E194 VanDerWaalsContact O-N 3.13Å; E194-E196 PolarHBondContact O-N 2.99Å
195T35.3Very low39.3Very low139 Ų139113 Ų11385%0.85357%0.57SS**  trans-74.568.9163.442.80000108.9S197T195-S197 PolarHBondContact O-N 3.33Å
196E37.1Very low40.8Very low155 Ų155109.8 Ų109.872%0.72456%0.56SS**  trans-80.9108.3165.2-115.4-165152.100108.4E194 S198E194-E196 PolarHBondContact O-N 2.99Å; E196-S198 PolarHBondContact O-N 3.33Å
197S41.6Very low42.5Very low58 Ų58103 Ų10341%0.40654%0.54SS..  trans-51.6128.5173.862.80000109.6T195 K202T195-S197 PolarHBondContact O-N 3.33Å; S197-K202 WeakPolarHBondContact OG-CE 3.49Å
198S47.5Very low44.4Very low22 Ų2298 Ų9815%0.15452%0.521CS..  trans-58.8158.3-179.171.10000111.6C183 E196 L200 D201 K202C183-S198 WeakPolarHBondContact CB-OG 3.46Å; E196-S198 PolarHBondContact O-N 3.33Å; S198-L200 PolarHBondContact O-N 2.89Å; S198-L200 VanDerWaalsContact O-N 3.12Å; S198-D201 WeakPolarHBondContact CB-OD2 3.37Å; S198-D201 PolarHBondContact N-OD2 3.37Å; S198-D201 WeakPolarHBondContact O-CA 3.19Å; S198-D201 WeakPolarHBondContact O-CB 3.03Å; S198-D201 PolarHBondContact O-N 2.97Å; S198-D201 PolarHBondContact OG-N 3.27Å; S198-D201 PolarHBondContact OG-OD2 3.32Å; S198-K202 PolarHBondContact O-N 2.56Å
199G45.2Very low46.4Very low39 Ų39101.6 Ų101.640%0.40252%0.517SS..Hα-helixtrans-56.6-28.6178.800000113.8K202 V203G199-K202 PolarHBondContact O-N 2.98Å; G199-V203 WeakPolarHBondContact O-CG2 3.42Å; G199-V203 PolarHBondContact O-N 3.02Å
200L45.3Very low48.7Very low13 Ų1393 Ų937%0.06849%0.485CS..Hα-helixtrans-68.3-41.1172.2-17765.9000112T152 C183 W184 S198 K202 V203 L204T152-L200 HydrophobicContact CG2-CD1 3.25Å; T152-L200 WeakPolarHBondContact OG1-CD1 3.2Å; C183-L200 HydrophobicContact CB-CB 3.88Å; C183-L200 HydrophobicContact CB-CD2 4.05Å; C183-L200 WeakPolarHBondContact SG-CB 3.36Å; W184-L200 HydrophobicContact CZ2-CD2 3.52Å; S198-L200 PolarHBondContact O-N 2.89Å; S198-L200 VanDerWaalsContact O-N 3.12Å; L200-K202 VanDerWaalsContact C-N 3.29Å; L200-K202 PolarHBondContact O-N 3.46Å; L200-V203 PolarHBondContact O-N 3.16Å; L200-L204 HydrophobicContact CD1-CD1 3.62Å; L200-L204 HydrophobicContact CD1-CD2 4.49Å; L200-L204 HydrophobicContact CD1-CG 3.82Å; L200-L204 HydrophobicContact CD2-CD1 4.28Å; L200-L204 HydrophobicContact CG-CD1 3.63Å; L200-L204 HydrophobicContact CG-CG 4.14Å; L200-L204 VanDerWaalsContact O-CB 3.3Å; L200-L204 WeakPolarHBondContact O-CB 3.43Å; L200-L204 WeakPolarHBondContact O-CG 3.27Å; L200-L204 PolarHBondContact O-N 3.13Å
201D45.8Very low50.9Low54 Ų5485.5 Ų85.529%0.28945%0.446SS..Hα-helixtrans-61.6-38.7175.5-61.4-41.9000110.9S198 Y205S198-D201 WeakPolarHBondContact CB-OD2 3.37Å; S198-D201 PolarHBondContact N-OD2 3.37Å; S198-D201 WeakPolarHBondContact O-CA 3.19Å; S198-D201 WeakPolarHBondContact O-CB 3.03Å; S198-D201 PolarHBondContact O-N 2.97Å; S198-D201 PolarHBondContact OG-N 3.27Å; S198-D201 PolarHBondContact OG-OD2 3.32Å; D201-Y205 WeakPolarHBondContact O-CA 3.45Å; D201-Y205 WeakPolarHBondContact O-CB 3.43Å; D201-Y205 PolarHBondContact O-N 2.94Å
202K49.6Very low53.2Low96 Ų9682.7 Ų82.742%0.41742%0.417SS..Hα-helixtrans-67-39.7178.6-66179.9-175.81740112.8S197 S198 G199 L200 K206S197-K202 WeakPolarHBondContact OG-CE 3.49Å; S198-K202 PolarHBondContact O-N 2.56Å; G199-K202 PolarHBondContact O-N 2.98Å; L200-K202 VanDerWaalsContact C-N 3.29Å; L200-K202 PolarHBondContact O-N 3.46Å; K202-K206 PolarHBondContact O-N 3.39Å
203V51.9Low55.6Low5 Ų583.8 Ų83.83%0.0342%0.422CS..Hα-helixtrans-76.8-42.9179.1176.70000111.7T152 G199 L200 K206 P207 Y210 F211T152-V203 HydrophobicContact CG2-CB 4.13Å; T152-V203 HydrophobicContact CG2-CG1 4.06Å; G199-V203 WeakPolarHBondContact O-CG2 3.42Å; G199-V203 PolarHBondContact O-N 3.02Å; L200-V203 PolarHBondContact O-N 3.16Å; V203-K206 CarbonylContact O-C 3.49Å; V203-P207 VanDerWaalsContact O-CA 3.22Å; V203-P207 WeakPolarHBondContact O-CA 3.28Å; V203-P207 WeakPolarHBondContact O-CD 3.45Å; V203-P207 VanDerWaalsContact O-N 3.07Å; V203-Y210 HydrophobicContact CB-CD2 4.45Å; V203-Y210 HydrophobicContact CB-CE2 4.26Å; V203-Y210 HydrophobicContact CG1-CD2 4.39Å; V203-Y210 HydrophobicContact CG2-CD2 4.11Å; V203-Y210 HydrophobicContact CG2-CE1 4.23Å; V203-Y210 HydrophobicContact CG2-CE2 3.69Å; V203-F211 HydrophobicContact CG1-CE2 4.08Å
204L51.9Low58Low55 Ų5578.6 Ų78.629%0.28839%0.392SS..Hα-helixtrans-74-31.9179.8-67.6-178.8000112.8L200 P207L200-L204 HydrophobicContact CD1-CD1 3.62Å; L200-L204 HydrophobicContact CD1-CD2 4.49Å; L200-L204 HydrophobicContact CD1-CG 3.82Å; L200-L204 HydrophobicContact CD2-CD1 4.28Å; L200-L204 HydrophobicContact CG-CD1 3.63Å; L200-L204 HydrophobicContact CG-CG 4.14Å; L200-L204 VanDerWaalsContact O-CB 3.3Å; L200-L204 WeakPolarHBondContact O-CB 3.43Å; L200-L204 WeakPolarHBondContact O-CG 3.27Å; L200-L204 PolarHBondContact O-N 3.13Å; L204-P207 WeakPolarHBondContact O-CD 3.25Å
205Y50.5Low60.1Low179 Ų17974.5 Ų74.570%0.70238%0.377SS*.Hα-helixtrans-80.2-26.9178.6-168.9-107.3000112.6D201 W208D201-Y205 WeakPolarHBondContact O-CA 3.45Å; D201-Y205 WeakPolarHBondContact O-CB 3.43Å; D201-Y205 PolarHBondContact O-N 2.94Å; Y205-W208 VanDerWaalsContact O-CH2 3.3Å; Y205-W208 WeakPolarHBondContact O-CH2 3.39Å; Y205-W208 WeakPolarHBondContact O-CZ3 3.22Å
206K64.1Low61.9Low76 Ų7670.4 Ų70.433%0.3335%0.353SS..  trans-136.860178.4-55.5-169178.6179.80113.1K202 V203 W208 K209K202-K206 PolarHBondContact O-N 3.39Å; V203-K206 CarbonylContact O-C 3.49Å; K206-W208 HydrophobicContact CB-CD2 4.36Å; K206-W208 HydrophobicContact CB-CH2 3.99Å; K206-W208 HydrophobicContact CB-CZ2 3.77Å; K206-W208 HydrophobicContact CB-CZ3 4.37Å; K206-W208 HydrophobicContact CD-CZ2 3.96Å; K206-W208 HydrophobicContact CG-CH2 3.72Å; K206-W208 HydrophobicContact CG-CZ2 3.57Å; K206-W208 HydrophobicContact CG-CZ3 4.5Å; K206-W208 PolarHBondContact O-N 3.45Å; K206-K209 HydrophobicContact CB-CD 3.96Å; K206-K209 HydrophobicContact CB-CG 4.01Å; K206-K209 HydrophobicContact CD-CD 4.07Å; K206-K209 WeakPolarHBondContact O-CB 3.17Å; K206-K209 PolarHBondContact O-N 3.06Å
207P66.8Low63.8Low44 Ų4466.8 Ų66.829%0.28634%0.336SS..THydrogen-bonded Turntrans-59.8-31-17722.1-32.8000112.7V203 L204 K209 Y210 F211V203-P207 VanDerWaalsContact O-CA 3.22Å; V203-P207 WeakPolarHBondContact O-CA 3.28Å; V203-P207 WeakPolarHBondContact O-CD 3.45Å; V203-P207 VanDerWaalsContact O-N 3.07Å; L204-P207 WeakPolarHBondContact O-CD 3.25Å; P207-K209 PolarHBondContact O-N 3.47Å; P207-Y210 PolarHBondContact O-N 2.95Å; P207-F211 HydrophobicContact CB-CD2 4.25Å; P207-F211 WeakPolarHBondContact O-CD2 3.44Å; P207-F211 PolarHBondContact O-N 2.9Å
208W70.3Confident65.7Low125 Ų12564.1 Ų64.147%0.47332%0.318SS..Hα-helixtrans-61.4-23.417763.890.4000113.9Y205 K206 Y210 G212Y205-W208 VanDerWaalsContact O-CH2 3.3Å; Y205-W208 WeakPolarHBondContact O-CH2 3.39Å; Y205-W208 WeakPolarHBondContact O-CZ3 3.22Å; K206-W208 HydrophobicContact CB-CD2 4.36Å; K206-W208 HydrophobicContact CB-CH2 3.99Å; K206-W208 HydrophobicContact CB-CZ2 3.77Å; K206-W208 HydrophobicContact CB-CZ3 4.37Å; K206-W208 HydrophobicContact CD-CZ2 3.96Å; K206-W208 HydrophobicContact CG-CH2 3.72Å; K206-W208 HydrophobicContact CG-CZ2 3.57Å; K206-W208 HydrophobicContact CG-CZ3 4.5Å; K206-W208 PolarHBondContact O-N 3.45Å; W208-Y210 PolarHBondContact O-N 2.92Å; W208-G212 WeakPolarHBondContact CA-O 3.23Å; W208-G212 WeakPolarHBondContact O-CA 3.25Å; W208-G212 PolarHBondContact O-N 2.99Å
209K75.3Confident67.2Low143 Ų14364.8 Ų64.862%0.62232%0.318SS*.Hα-helixtrans-67.8-25174.2-74.6-171.2168.5-166.40113.2K206 P207K206-K209 HydrophobicContact CB-CD 3.96Å; K206-K209 HydrophobicContact CB-CG 4.01Å; K206-K209 HydrophobicContact CD-CD 4.07Å; K206-K209 WeakPolarHBondContact O-CB 3.17Å; K206-K209 PolarHBondContact O-N 3.06Å; P207-K209 PolarHBondContact O-N 3.47Å
210Y77.9Confident68.9Low52 Ų5265.2 Ų65.220%0.20431%0.307CS..Hα-helixtrans-103.9-50.1-177.9-62.4-89.7000110.1L155 V166 Q168 V203 P207 W208L155-Y210 HydrophobicContact CB-CD1 4.42Å; L155-Y210 HydrophobicContact CD1-CD1 4.07Å; L155-Y210 HydrophobicContact CD1-CG 4.43Å; V166-Y210 WeakPolarHBondContact CG2-O 3.06Å; Q168-Y210 PolarHBondContact NE2-O 3.49Å; Q168-Y210 VanDerWaalsContact NE2-O 3.09Å; V203-Y210 HydrophobicContact CB-CD2 4.45Å; V203-Y210 HydrophobicContact CB-CE2 4.26Å; V203-Y210 HydrophobicContact CG1-CD2 4.39Å; V203-Y210 HydrophobicContact CG2-CD2 4.11Å; V203-Y210 HydrophobicContact CG2-CE1 4.23Å; V203-Y210 HydrophobicContact CG2-CE2 3.69Å; P207-Y210 PolarHBondContact O-N 2.95Å; W208-Y210 PolarHBondContact O-N 2.92Å
211F81.3Confident70.6Confident3 Ų364.9 Ų64.91%0.01331%0.306CS..Hα-helixtrans-100.6-4.4-170.2-54.2-71.2000113.8F150 L155 V166 Q168 F174 V203 P207 K214 F219F150-F211 HydrophobicContact CD1-CE1 4.23Å; F150-F211 HydrophobicContact CD1-CZ 4.13Å; F150-F211 AromaticContact CD2-CZ 3.88Å; F150-F211 HydrophobicContact CD2-CZ 3.88Å; F150-F211 HydrophobicContact CE1-CE1 4.12Å; F150-F211 AromaticContact CE1-CZ 3.83Å; F150-F211 HydrophobicContact CE1-CZ 3.83Å; F150-F211 HydrophobicContact CE2-CE2 4.14Å; F150-F211 AromaticContact CE2-CZ 3.54Å; F150-F211 HydrophobicContact CE2-CZ 3.54Å; F150-F211 HydrophobicContact CG-CE1 4.49Å; F150-F211 HydrophobicContact CG-CZ 4.16Å; F150-F211 HydrophobicContact CZ-CE1 4.25Å; F150-F211 HydrophobicContact CZ-CE2 4.08Å; F150-F211 AromaticContact CZ-CZ 3.51Å; F150-F211 HydrophobicContact CZ-CZ 3.51Å; L155-F211 HydrophobicContact CD1-CZ 3.89Å; V166-F211 HydrophobicContact CB-CE1 4.48Å; V166-F211 HydrophobicContact CG1-CE1 4.14Å; V166-F211 HydrophobicContact CG2-CD1 3.74Å; V166-F211 HydrophobicContact CG2-CE1 4.09Å; Q168-F211 PolarHBondContact OE1-O 3.22Å; Q168-F211 VanDerWaalsContact OE1-O 3.05Å; F174-F211 HydrophobicContact CB-CE1 4.49Å; F174-F211 AromaticContact CD1-CD1 3.46Å; F174-F211 HydrophobicContact CD1-CD1 3.46Å; F174-F211 VanDerWaalsContact CD1-CD1 3.46Å; F174-F211 AromaticContact CD1-CE1 3.63Å; F174-F211 HydrophobicContact CD1-CE1 3.63Å; F174-F211 HydrophobicContact CD2-CD1 4.15Å; F174-F211 AromaticContact CE1-CD1 3.54Å; F174-F211 HydrophobicContact CE1-CD1 3.54Å; F174-F211 HydrophobicContact CE1-CE1 4.05Å; F174-F211 HydrophobicContact CE2-CB 4.35Å; F174-F211 HydrophobicContact CE2-CD1 4.21Å; F174-F211 AromaticContact CG-CD1 3.78Å; F174-F211 HydrophobicContact CG-CD1 3.78Å; F174-F211 HydrophobicContact CG-CE1 4.09Å; F174-F211 HydrophobicContact CZ-CB 4.47Å; F174-F211 AromaticContact CZ-CD1 3.91Å; F174-F211 HydrophobicContact CZ-CD1 3.91Å; V203-F211 HydrophobicContact CG1-CE2 4.08Å; P207-F211 HydrophobicContact CB-CD2 4.25Å; P207-F211 WeakPolarHBondContact O-CD2 3.44Å; P207-F211 PolarHBondContact O-N 2.9Å; F211-K214 HydrophobicContact CB-CG 4.39Å; F211-K214 VanDerWaalsContact O-CE 3.29Å; F211-K214 WeakPolarHBondContact O-CE 3.39Å; F211-K214 WeakPolarHBondContact O-CG 3.41Å; F211-F219 HydrophobicContact CB-CE1 4.12Å; F211-F219 HydrophobicContact CB-CZ 3.94Å; F211-F219 HydrophobicContact CD1-CE1 4.32Å; F211-F219 AromaticContact CD2-CE1 3.86Å; F211-F219 HydrophobicContact CD2-CE1 3.86Å; F211-F219 HydrophobicContact CD2-CZ 4.29Å; F211-F219 HydrophobicContact CE2-CE1 4.39Å; F211-F219 AromaticContact CG-CE1 3.82Å; F211-F219 HydrophobicContact CG-CE1 3.82Å; F211-F219 HydrophobicContact CG-CZ 4.15Å
212G83.1Confident72.4Confident27 Ų2762.3 Ų62.328%0.27829%0.292SS..  trans70-173.2-168.500000112.7W208 K214W208-G212 WeakPolarHBondContact CA-O 3.23Å; W208-G212 WeakPolarHBondContact O-CA 3.25Å; W208-G212 PolarHBondContact O-N 2.99Å; G212-K214 PolarHBondContact O-N 2.79Å
213H82.4Confident73.9Confident177 Ų17758.3 Ų58.382%0.81927%0.274SS*.SBendtrans-76.192.2174-68.2-80.7000109.6
214K80.8Confident75.2Confident48 Ų4858.1 Ų58.121%0.20927%0.273CS..  trans-110.6141.3178.1-63.9-69.4175.6-169.30110.3G169 F174 F211 G212 F219G169-K214 PolarHBondContact O-NZ 3.13Å; F174-K214 HydrophobicContact CE2-CD 4.32Å; F174-K214 HydrophobicContact CE2-CG 4.08Å; F211-K214 HydrophobicContact CB-CG 4.39Å; F211-K214 VanDerWaalsContact O-CE 3.29Å; F211-K214 WeakPolarHBondContact O-CE 3.39Å; F211-K214 WeakPolarHBondContact O-CG 3.41Å; G212-K214 PolarHBondContact O-N 2.79Å; K214-F219 HydrophobicContact CB-CE2 3.7Å; K214-F219 HydrophobicContact CB-CZ 3.89Å
215P78.7Confident76.5Confident54 Ų5460 Ų6035%0.35128%0.281SS..  trans-73.8155.9175.936.4-40.1000110.4E217 S218P215-E217 VanDerWaalsContact CB-CD 3.42Å; P215-E217 HydrophobicContact CB-CG 4.43Å; P215-E217 WeakPolarHBondContact CB-OE1 3.44Å; P215-E217 HydrophobicContact CG-CG 4.14Å; P215-E217 WeakPolarHBondContact CG-OE1 3.47Å; P215-E217 PolarHBondContact O-N 2.56Å; P215-E217 VanDerWaalsContact O-N 3.12Å; P215-S218 WeakPolarHBondContact CD-OG 3.06Å; P215-S218 VanDerWaalsContact O-CB 3.26Å; P215-S218 WeakPolarHBondContact O-CB 3.33Å; P215-S218 PolarHBondContact O-N 3.31Å; P215-S218 PolarHBondContact O-OG 2.92Å
216P72.8Confident78.3Confident54 Ų5451.6 Ų51.635%0.35125%0.248SC..G310 helixtrans-53-35.2-175-28.136.1000114.3S218 F219P216-S218 PolarHBondContact O-N 3.01Å; P216-F219 PolarHBondContact O-N 3.27Å
217E76.8Confident79.3Confident79 Ų7948 Ų4837%0.36923%0.232SC..G310 helixtrans-66.9-3.1176.465.2-87.5-167.400114.7K173 P215 F219 R220K173-E217 PolarHBondContact NZ-O 3.01Å; K173-E217 VanDerWaalsContact NZ-O 3.15Å; P215-E217 VanDerWaalsContact CB-CD 3.42Å; P215-E217 HydrophobicContact CB-CG 4.43Å; P215-E217 WeakPolarHBondContact CB-OE1 3.44Å; P215-E217 HydrophobicContact CG-CG 4.14Å; P215-E217 WeakPolarHBondContact CG-OE1 3.47Å; P215-E217 PolarHBondContact O-N 2.56Å; P215-E217 VanDerWaalsContact O-N 3.12Å; E217-F219 VanDerWaalsContact C-N 3.3Å; E217-R220 PolarHBondContact O-NH1 2.96Å
218S80.9Confident80.1Confident2 Ų246.9 Ų46.91%0.01423%0.225CC..G310 helixtrans-81.9-12.8168.3-530000112.1K173 F174 P215 P216K173-S218 CarbonylContact C-O 3.46Å; K173-S218 VanDerWaalsContact CA-O 3.27Å; K173-S218 WeakPolarHBondContact CA-O 3.33Å; F174-S218 PolarHBondContact N-O 2.84Å; P215-S218 WeakPolarHBondContact CD-OG 3.06Å; P215-S218 VanDerWaalsContact O-CB 3.26Å; P215-S218 WeakPolarHBondContact O-CB 3.33Å; P215-S218 PolarHBondContact O-N 3.31Å; P215-S218 PolarHBondContact O-OG 2.92Å; P216-S218 PolarHBondContact O-N 3.01Å
219F79.4Confident81Confident36 Ų3641.9 Ų41.916%0.15821%0.207CC..EExtended strand (participates in β ladder)trans-106.5143.8-176.8-59-86000111.2F174 F211 K214 P216 E217F174-F219 HydrophobicContact CB-CD1 3.79Å; F174-F219 HydrophobicContact CB-CE1 4.04Å; F174-F219 HydrophobicContact CD2-CD1 4.32Å; F174-F219 AromaticContact CD2-CE1 3.94Å; F174-F219 HydrophobicContact CD2-CE1 3.94Å; F174-F219 HydrophobicContact CD2-CZ 4.35Å; F174-F219 HydrophobicContact CG-CD1 4.41Å; F174-F219 HydrophobicContact CG-CE1 4.19Å; F174-F219 CarbonylContact O-C 3.59Å; F174-F219 WeakPolarHBondContact O-CA 3.23Å; F211-F219 HydrophobicContact CB-CE1 4.12Å; F211-F219 HydrophobicContact CB-CZ 3.94Å; F211-F219 HydrophobicContact CD1-CE1 4.32Å; F211-F219 AromaticContact CD2-CE1 3.86Å; F211-F219 HydrophobicContact CD2-CE1 3.86Å; F211-F219 HydrophobicContact CD2-CZ 4.29Å; F211-F219 HydrophobicContact CE2-CE1 4.39Å; F211-F219 AromaticContact CG-CE1 3.82Å; F211-F219 HydrophobicContact CG-CE1 3.82Å; F211-F219 HydrophobicContact CG-CZ 4.15Å; K214-F219 HydrophobicContact CB-CE2 3.7Å; K214-F219 HydrophobicContact CB-CZ 3.89Å; P216-F219 PolarHBondContact O-N 3.27Å; E217-F219 VanDerWaalsContact C-N 3.3Å
220R82.3Confident81.7Confident47 Ų4735.1 Ų35.118%0.17718%0.177CC..EExtended strand (participates in β ladder)trans-137.2161.3174-63.1-64.3-176.2-82.2-2.7108.4L37 M90 F174 I175 F176 E217L37-R220 HydrophobicContact CD1-CB 4.34Å; L37-R220 HydrophobicContact CD1-CG 4.24Å; L37-R220 HydrophobicContact CD2-CB 4.29Å; M90-R220 PolarHBondContact O-NE 2.88Å; M90-R220 VanDerWaalsContact O-NE 3.1Å; M90-R220 PolarHBondContact O-NH2 3.2Å; F174-R220 PolarHBondContact O-N 3.31Å; I175-R220 HydrophobicContact CG1-CB 4.29Å; F176-R220 PolarHBondContact N-O 3.08Å; E217-R220 PolarHBondContact O-NH1 2.96Å
221M80.4Confident82.1Confident7 Ų732.8 Ų32.83%0.03417%0.168CC..EExtended strand (participates in β ladder)trans-134.4135.3176.8178.4177.6-171.800109.4L37 Q38 W60 V71 L75 F176 P178L37-M221 CarbonylContact C-O 3.58Å; L37-M221 VanDerWaalsContact CA-O 3.31Å; L37-M221 WeakPolarHBondContact CA-O 3.29Å; L37-M221 WeakPolarHBondContact CD2-O 3.48Å; Q38-M221 HydrophobicContact CB-CB 4.1Å; Q38-M221 HydrophobicContact CB-CG 4.21Å; Q38-M221 HydrophobicContact CB-SD 4.37Å; Q38-M221 HydrophobicContact CG-SD 4.46Å; Q38-M221 PolarHBondContact N-O 3.1Å; W60-M221 HydrophobicContact CH2-CE 3.4Å; W60-M221 HydrophobicContact CH2-SD 3.92Å; W60-M221 HydrophobicContact CZ2-CE 4.41Å; W60-M221 HydrophobicContact CZ3-CE 3.69Å; W60-M221 HydrophobicContact CZ3-SD 4.45Å; V71-M221 HydrophobicContact CG1-SD 4.24Å; L75-M221 HydrophobicContact CD1-SD 4.22Å; L75-M221 HydrophobicContact CD2-CB 3.78Å; F176-M221 HydrophobicContact CD1-CE 4.05Å; F176-M221 HydrophobicContact CD1-CG 3.98Å; F176-M221 HydrophobicContact CD1-SD 4.23Å; F176-M221 HydrophobicContact CE1-CE 4.03Å; F176-M221 WeakPolarHBondContact O-CA 3.35Å; P178-M221 HydrophobicContact CB-CE 3.53Å; P178-M221 HydrophobicContact CG-CE 3.76Å
222L82.8Confident82.4Confident0 Ų037.6 Ų37.60%019%0.19CC..BIsolated β-bridgetrans-66.1137.2171.4-68.8-171.1000110.4V36 L37 I175 F176 I177 I227 T253 T257V36-L222 HydrophobicContact CG1-CD2 4.32Å; L37-L222 HydrophobicContact CD2-CD2 3.9Å; I175-L222 HydrophobicContact CG2-CD2 3.76Å; I175-L222 HydrophobicContact CG2-CG 3.83Å; F176-L222 PolarHBondContact O-N 3.39Å; I177-L222 HydrophobicContact CG1-CD1 3.9Å; I177-L222 HydrophobicContact CG1-CG 4.44Å; I177-L222 HydrophobicContact CG2-CD1 4.44Å; L222-I227 HydrophobicContact CB-CD1 4.06Å; L222-I227 HydrophobicContact CB-CG1 4.36Å; L222-I227 HydrophobicContact CD1-CD1 4.48Å; L222-I227 HydrophobicContact CD1-CG1 4.44Å; L222-T253 HydrophobicContact CD1-CG2 4.17Å; L222-T257 HydrophobicContact CD2-CG2 4.15Å; L222-T257 WeakPolarHBondContact CD2-OG1 3.48Å
223H81.6Confident82.7Confident11 Ų1137.8 Ų37.85%0.05119%0.187CC..  trans-69.7127.7177.5-165-80.4000109.8P35 V36 Q38 Q225 F226 I227P35-H223 VanDerWaalsContact O-CB 3.28Å; P35-H223 WeakPolarHBondContact O-CB 3.38Å; V36-H223 PolarHBondContact O-N 2.92Å; Q38-H223 PolarHBondContact OE1-CD2 3.21Å; H223-Q225 VanDerWaalsContact C-N 3.26Å; H223-Q225 VanDerWaalsContact CE1-CB 3.45Å; H223-Q225 WeakPolarHBondContact CE1-CB 3.22Å; H223-Q225 WeakPolarHBondContact ND1-CB 3.21Å; H223-Q225 PolarHBondContact ND1-N 3.26Å; H223-Q225 VanDerWaalsContact ND1-N 3.17Å; H223-Q225 PolarHBondContact O-N 3.15Å; H223-F226 HydrophobicContact CB-CB 4.13Å; H223-F226 WeakPolarHBondContact O-CA 3.43Å; H223-F226 VanDerWaalsContact O-CB 3.27Å; H223-F226 WeakPolarHBondContact O-CB 3.38Å; H223-F226 PolarHBondContact O-N 3.01Å; H223-I227 PolarHBondContact O-N 2.85Å
224P79Confident83.1Confident2 Ų230.3 Ų30.31%0.01315%0.154CC..Hα-helixtrans-57.7-36.1-178.8-28.135.9000113.9Q38 W60 P178 F226 I227 S228Q38-P224 VanDerWaalsContact OE1-CD 3.26Å; W60-P224 HydrophobicContact CZ2-CG 3.99Å; P178-P224 HydrophobicContact CG-CG 4.44Å; P224-F226 VanDerWaalsContact C-N 3.29Å; P224-F226 PolarHBondContact O-N 2.94Å; P224-I227 PolarHBondContact O-N 3.45Å; P224-S228 PolarHBondContact O-N 2.88Å
225Q80.4Confident83.6Confident95 Ų9528 Ų2844%0.44414%0.144SC..Hα-helixtrans-65.2-32.1175-167.8178.7-4.600112.6H223 S228 Y229H223-Q225 VanDerWaalsContact C-N 3.26Å; H223-Q225 VanDerWaalsContact CE1-CB 3.45Å; H223-Q225 WeakPolarHBondContact CE1-CB 3.22Å; H223-Q225 WeakPolarHBondContact ND1-CB 3.21Å; H223-Q225 PolarHBondContact ND1-N 3.26Å; H223-Q225 VanDerWaalsContact ND1-N 3.17Å; H223-Q225 PolarHBondContact O-N 3.15Å; Q225-S228 PolarHBondContact O-N 2.93Å; Q225-Y229 WeakPolarHBondContact O-CB 3.49Å; Q225-Y229 PolarHBondContact O-N 3.05Å
226F86.6Confident84.1Confident1 Ų128.9 Ų28.90%0.00415%0.148CC..Hα-helixtrans-65.1-46.6174.4178.3-113.4000110.3P35 V36 H223 P224 S228 Y229 L230 H260P35-F226 WeakPolarHBondContact O-CB 3.35Å; V36-F226 HydrophobicContact CG1-CD1 4.06Å; V36-F226 HydrophobicContact CG1-CE1 3.82Å; V36-F226 HydrophobicContact CG1-CZ 4.1Å; V36-F226 HydrophobicContact CG2-CD2 4.1Å; V36-F226 HydrophobicContact CG2-CE2 3.84Å; V36-F226 HydrophobicContact CG2-CZ 4.05Å; H223-F226 HydrophobicContact CB-CB 4.13Å; H223-F226 WeakPolarHBondContact O-CA 3.43Å; H223-F226 VanDerWaalsContact O-CB 3.27Å; H223-F226 WeakPolarHBondContact O-CB 3.38Å; H223-F226 PolarHBondContact O-N 3.01Å; P224-F226 VanDerWaalsContact C-N 3.29Å; P224-F226 PolarHBondContact O-N 2.94Å; F226-S228 VanDerWaalsContact C-N 3.32Å; F226-S228 PolarHBondContact O-N 3.28Å; F226-Y229 AromaticContact CD2-CD1 3.85Å; F226-Y229 HydrophobicContact CD2-CD1 3.85Å; F226-Y229 HydrophobicContact CD2-CE1 4.34Å; F226-Y229 HydrophobicContact CE2-CD1 4.02Å; F226-Y229 HydrophobicContact CE2-CE1 4.06Å; F226-Y229 WeakPolarHBondContact O-CB 3.42Å; F226-Y229 PolarHBondContact O-N 3.42Å; F226-Y229 VanDerWaalsContact O-N 3.1Å; F226-L230 HydrophobicContact CD1-CD1 4.07Å; F226-L230 HydrophobicContact CD1-CG 4.41Å; F226-L230 HydrophobicContact CE1-CD1 3.6Å; F226-L230 HydrophobicContact CE1-CD2 4.3Å; F226-L230 HydrophobicContact CE1-CG 4.12Å; F226-L230 HydrophobicContact CE2-CD2 3.88Å; F226-L230 HydrophobicContact CE2-CG 4.28Å; F226-L230 HydrophobicContact CZ-CD1 3.92Å; F226-L230 HydrophobicContact CZ-CD2 3.74Å; F226-L230 HydrophobicContact CZ-CG 4.05Å; F226-L230 WeakPolarHBondContact O-CG 3.18Å; F226-L230 PolarHBondContact O-N 3.18Å; F226-H260 HydrophobicContact CE2-CB 4.19Å; F226-H260 AromaticContact CE2-CD2 3.79Å; F226-H260 AromaticContact CE2-CG 3.63Å; F226-H260 AromaticContact CE2-ND1 3.78Å; F226-H260 HydrophobicContact CZ-CB 4.17Å; F226-H260 AromaticContact CZ-CG 3.8Å; F226-H260 AromaticContact CZ-ND1 3.66Å
227I85.4Confident84.9Confident0 Ų026.5 Ų26.50%013%0.133CC..Hα-helixtrans-59.2-45.3176.4-60.5168.6000110.9P57 I177 P178 L222 H223 P224 Y229 L230 M231 T253P57-I227 HydrophobicContact CB-CD1 4.36Å; P57-I227 HydrophobicContact CB-CG2 4.11Å; P57-I227 HydrophobicContact CG-CG2 4.15Å; I177-I227 HydrophobicContact CG2-CD1 4.45Å; P178-I227 HydrophobicContact CG-CD1 3.8Å; L222-I227 HydrophobicContact CB-CD1 4.06Å; L222-I227 HydrophobicContact CB-CG1 4.36Å; L222-I227 HydrophobicContact CD1-CD1 4.48Å; L222-I227 HydrophobicContact CD1-CG1 4.44Å; H223-I227 PolarHBondContact O-N 2.85Å; P224-I227 PolarHBondContact O-N 3.45Å; I227-Y229 VanDerWaalsContact C-N 3.33Å; I227-Y229 PolarHBondContact O-N 2.8Å; I227-L230 PolarHBondContact O-N 3.02Å; I227-M231 PolarHBondContact O-N 3.04Å; I227-T253 HydrophobicContact CG1-CG2 4.23Å; I227-T253 HydrophobicContact CG2-CG2 4.47Å
228S83.9Confident85.4Confident21 Ų2127.2 Ų27.215%0.14714%0.144CC..Hα-helixtrans-57.1-46.1174.1179.80000111.6P224 Q225 F226 M231 H232P224-S228 PolarHBondContact O-N 2.88Å; Q225-S228 PolarHBondContact O-N 2.93Å; F226-S228 VanDerWaalsContact C-N 3.32Å; F226-S228 PolarHBondContact O-N 3.28Å; S228-M231 PolarHBondContact O-N 3.08Å; S228-H232 PolarHBondContact O-CD2 3.09Å; S228-H232 PolarHBondContact O-N 3.26Å; S228-H232 VanDerWaalsContact O-N 3.08Å
229Y89.6Confident85.6Confident21 Ų2129.2 Ų29.28%0.08215%0.154CC..Hα-helixtrans-58.9-46.9176.9150.1-103.4000112.1R29 F30 S31 L34 Q225 F226 I227 M231 H232 S233 H260R29-Y229 WeakPolarHBondContact O-CE2 3.41Å; R29-Y229 PolarHBondContact O-OH 3.45Å; F30-Y229 VanDerWaalsContact CA-OH 3.26Å; F30-Y229 WeakPolarHBondContact CA-OH 3.25Å; S31-Y229 PolarHBondContact N-OH 2.84Å; L34-Y229 HydrophobicContact CD1-CD1 3.74Å; L34-Y229 HydrophobicContact CD1-CD2 3.58Å; L34-Y229 HydrophobicContact CD1-CE1 4.39Å; L34-Y229 HydrophobicContact CD1-CE2 4.28Å; L34-Y229 HydrophobicContact CD1-CG 3.3Å; Q225-Y229 WeakPolarHBondContact O-CB 3.49Å; Q225-Y229 PolarHBondContact O-N 3.05Å; F226-Y229 AromaticContact CD2-CD1 3.85Å; F226-Y229 HydrophobicContact CD2-CD1 3.85Å; F226-Y229 HydrophobicContact CD2-CE1 4.34Å; F226-Y229 HydrophobicContact CE2-CD1 4.02Å; F226-Y229 HydrophobicContact CE2-CE1 4.06Å; F226-Y229 WeakPolarHBondContact O-CB 3.42Å; F226-Y229 PolarHBondContact O-N 3.42Å; F226-Y229 VanDerWaalsContact O-N 3.1Å; I227-Y229 VanDerWaalsContact C-N 3.33Å; I227-Y229 PolarHBondContact O-N 2.8Å; Y229-M231 VanDerWaalsContact C-N 3.27Å; Y229-M231 PolarHBondContact O-N 2.8Å; Y229-H232 PolarHBondContact O-N 2.81Å; Y229-S233 WeakPolarHBondContact CD2-OG 3.23Å; Y229-S233 WeakPolarHBondContact CE2-OG 3.37Å; Y229-S233 VanDerWaalsContact O-CB 3.23Å; Y229-S233 WeakPolarHBondContact O-CB 3.45Å; Y229-S233 PolarHBondContact O-N 3.47Å; Y229-S233 PolarHBondContact O-OG 2.97Å; Y229-H260 AromaticContact CE1-CE1 3.86Å; Y229-H260 AromaticContact CE1-NE2 3.39Å; Y229-H260 WeakPolarHBondContact CE1-NE2 3.22Å; Y229-H260 AromaticContact CZ-NE2 3.79Å; Y229-H260 PolarHBondContact OH-NE2 2.98Å
230L90.4Very high85.7Confident0 Ų029.2 Ų29.20%016%0.155CC..Hα-helixtrans-57-43.3-179.9-65.7-178.5000111.4F226 I227 L234 L235 P251 T253 L256F226-L230 HydrophobicContact CD1-CD1 4.07Å; F226-L230 HydrophobicContact CD1-CG 4.41Å; F226-L230 HydrophobicContact CE1-CD1 3.6Å; F226-L230 HydrophobicContact CE1-CD2 4.3Å; F226-L230 HydrophobicContact CE1-CG 4.12Å; F226-L230 HydrophobicContact CE2-CD2 3.88Å; F226-L230 HydrophobicContact CE2-CG 4.28Å; F226-L230 HydrophobicContact CZ-CD1 3.92Å; F226-L230 HydrophobicContact CZ-CD2 3.74Å; F226-L230 HydrophobicContact CZ-CG 4.05Å; F226-L230 WeakPolarHBondContact O-CG 3.18Å; F226-L230 PolarHBondContact O-N 3.18Å; I227-L230 PolarHBondContact O-N 3.02Å; L230-L234 HydrophobicContact CD2-CD1 3.75Å; L230-L234 WeakPolarHBondContact O-CA 3.38Å; L230-L234 VanDerWaalsContact O-CB 3.31Å; L230-L234 WeakPolarHBondContact O-CB 3.22Å; L230-L234 PolarHBondContact O-N 3.13Å; L230-L235 PolarHBondContact O-N 3.08Å; L230-P251 HydrophobicContact CB-CG 4.42Å; L230-T253 HydrophobicContact CD1-CG2 4.49Å; L230-L256 HydrophobicContact CB-CD1 4.18Å; L230-L256 HydrophobicContact CD1-CB 3.67Å; L230-L256 HydrophobicContact CD1-CD1 3.85Å; L230-L256 HydrophobicContact CD1-CG 4.39Å; L230-L256 HydrophobicContact CD2-CB 3.76Å; L230-L256 HydrophobicContact CD2-CD1 3.99Å; L230-L256 HydrophobicContact CD2-CD2 4.42Å; L230-L256 HydrophobicContact CD2-CG 4.26Å; L230-L256 HydrophobicContact CG-CB 4.34Å; L230-L256 HydrophobicContact CG-CD1 4.22Å
231M85.8Confident85.8Confident4 Ų432.9 Ų32.92%0.0218%0.183CC..Hα-helixtrans-70.1-46.2-179.8-72.9-176.330.800113.6Y58 I227 S228 Y229 S233 L235 T236 M240 Y249 P251Y58-M231 HydrophobicContact CD1-SD 4.42Å; Y58-M231 HydrophobicContact CE1-CE 3.49Å; Y58-M231 VanDerWaalsContact CE1-CE 3.49Å; Y58-M231 HydrophobicContact CE1-SD 3.29Å; Y58-M231 WeakPolarHBondContact CE1-SD 3.46Å; Y58-M231 WeakPolarHBondContact OH-CE 3.15Å; Y58-M231 PolarHBondContact OH-SD 2.62Å; I227-M231 PolarHBondContact O-N 3.04Å; S228-M231 PolarHBondContact O-N 3.08Å; Y229-M231 VanDerWaalsContact C-N 3.27Å; Y229-M231 PolarHBondContact O-N 2.8Å; M231-S233 VanDerWaalsContact C-N 3.33Å; M231-S233 PolarHBondContact O-N 3.48Å; M231-L235 CarbonylContact O-C 3.51Å; M231-T236 WeakPolarHBondContact O-CA 3.39Å; M231-T236 PolarHBondContact O-N 3.23Å; M231-T236 VanDerWaalsContact O-N 3.09Å; M231-T236 PolarHBondContact O-OG1 3.2Å; M231-M240 HydrophobicContact CB-CE 4.09Å; M231-M240 HydrophobicContact CB-SD 4.19Å; M231-M240 HydrophobicContact CE-CE 3.41Å; M231-M240 VanDerWaalsContact CE-CE 3.41Å; M231-M240 HydrophobicContact CE-CG 4.01Å; M231-M240 HydrophobicContact CE-SD 3.78Å; M231-Y249 HydrophobicContact CB-CE1 4.5Å; M231-Y249 HydrophobicContact CE-CD1 3.39Å; M231-Y249 HydrophobicContact CE-CE1 3.61Å; M231-Y249 HydrophobicContact CG-CE1 3.94Å; M231-Y249 HydrophobicContact SD-CD1 3.86Å; M231-Y249 HydrophobicContact SD-CE1 3.86Å; M231-P251 HydrophobicContact CG-CG 3.57Å; M231-P251 WeakPolarHBondContact SD-CD 3.33Å; M231-P251 HydrophobicContact SD-CG 4.31Å
232H87.3Confident85.7Confident103 Ų10335.8 Ų35.848%0.47720%0.199SC..Hα-helixtrans-77.2-21.8-176.1-72.9-69.1000113.4S228 Y229 T236 M240S228-H232 PolarHBondContact O-CD2 3.09Å; S228-H232 PolarHBondContact O-N 3.26Å; S228-H232 VanDerWaalsContact O-N 3.08Å; Y229-H232 PolarHBondContact O-N 2.81Å; H232-T236 PolarHBondContact O-OG1 3.43Å; H232-T236 VanDerWaalsContact O-OG1 3.11Å; H232-M240 VanDerWaalsContact CE1-CE 3.4Å; H232-M240 WeakPolarHBondContact CE1-CE 3.34Å
233S90.1Very high85.3Confident31 Ų3140 Ų4022%0.21723%0.228CC..Hα-helixtrans-106.4-39.4-175.4-44.60000112.7R29 Y229 M231R29-S233 WeakPolarHBondContact CD-O 3.29Å; R29-S233 PolarHBondContact NH1-O 3.32Å; Y229-S233 WeakPolarHBondContact CD2-OG 3.23Å; Y229-S233 WeakPolarHBondContact CE2-OG 3.37Å; Y229-S233 VanDerWaalsContact O-CB 3.23Å; Y229-S233 WeakPolarHBondContact O-CB 3.45Å; Y229-S233 PolarHBondContact O-N 3.47Å; Y229-S233 PolarHBondContact O-OG 2.97Å; M231-S233 VanDerWaalsContact C-N 3.33Å; M231-S233 PolarHBondContact O-N 3.48Å
234L90.7Very high84.8Confident21 Ų2146.3 Ų46.311%0.1126%0.262CS..THydrogen-bonded Turntrans-111.2-38.4-170.4-54.4-179.6000113.6R29 F30 L230 L256 L304R29-L234 HydrophobicContact CB-CD2 3.87Å; R29-L234 WeakPolarHBondContact O-CD2 3.48Å; F30-L234 HydrophobicContact CD1-CD1 4.44Å; F30-L234 HydrophobicContact CD2-CD2 3.89Å; F30-L234 HydrophobicContact CE1-CD1 3.88Å; F30-L234 HydrophobicContact CE1-CD2 4.48Å; F30-L234 HydrophobicContact CE2-CD1 4.36Å; F30-L234 HydrophobicContact CE2-CD2 3.6Å; F30-L234 HydrophobicContact CG-CD2 4.45Å; F30-L234 HydrophobicContact CZ-CD1 3.84Å; F30-L234 HydrophobicContact CZ-CD2 3.93Å; L230-L234 HydrophobicContact CD2-CD1 3.75Å; L230-L234 WeakPolarHBondContact O-CA 3.38Å; L230-L234 VanDerWaalsContact O-CB 3.31Å; L230-L234 WeakPolarHBondContact O-CB 3.22Å; L230-L234 PolarHBondContact O-N 3.13Å; L234-L256 HydrophobicContact CD1-CD2 3.66Å; L234-L304 HydrophobicContact CB-CD2 4.26Å
235L90.8Very high84.5Confident0 Ų046.5 Ų46.50%026%0.263CS..  trans-13064-172.6-68.7170.8000111.1L230 M231 S237 Y249 P251 L256 M300 E301 L304L230-L235 PolarHBondContact O-N 3.08Å; M231-L235 CarbonylContact O-C 3.51Å; L235-S237 PolarHBondContact O-N 3.42Å; L235-S237 VanDerWaalsContact O-N 3.13Å; L235-Y249 PolarHBondContact O-OH 3.02Å; L235-P251 HydrophobicContact CB-CB 4.2Å; L235-P251 HydrophobicContact CD1-CB 3.27Å; L235-P251 HydrophobicContact CD1-CG 4.41Å; L235-P251 HydrophobicContact CG-CB 4.37Å; L235-L256 HydrophobicContact CD1-CD1 3.66Å; L235-M300 HydrophobicContact CD2-CG 3.91Å; L235-M300 HydrophobicContact CD2-SD 4.42Å; L235-E301 HydrophobicContact CD1-CG 3.92Å; L235-E301 HydrophobicContact CD2-CB 4.48Å; L235-E301 HydrophobicContact CD2-CG 3.84Å; L235-L304 HydrophobicContact CD1-CD2 4.42Å; L235-L304 HydrophobicContact CD2-CB 4.23Å; L235-L304 HydrophobicContact CD2-CD2 3.66Å; L235-L304 HydrophobicContact CG-CD2 3.92Å
236T90.2Very high84.1Confident72 Ų7248.1 Ų48.144%0.44227%0.265SS..  trans-8678.8-176.9-49.10000110.8M231 H232 M240 M300M231-T236 WeakPolarHBondContact O-CA 3.39Å; M231-T236 PolarHBondContact O-N 3.23Å; M231-T236 VanDerWaalsContact O-N 3.09Å; M231-T236 PolarHBondContact O-OG1 3.2Å; H232-T236 PolarHBondContact O-OG1 3.43Å; H232-T236 VanDerWaalsContact O-OG1 3.11Å; T236-M240 HydrophobicContact CG2-SD 4.43Å; T236-M300 WeakPolarHBondContact O-CE 3.16Å
237S89.4Confident83.2Confident4 Ų451 Ų513%0.02828%0.281CS..  trans-76.3144.5-178-179.60000112.6L235 L239 M240 Y249 D297L235-S237 PolarHBondContact O-N 3.42Å; L235-S237 VanDerWaalsContact O-N 3.13Å; S237-L239 PolarHBondContact O-N 2.87Å; S237-L239 VanDerWaalsContact O-N 3.13Å; S237-L239 WeakPolarHBondContact OG-CB 3.44Å; S237-L239 WeakPolarHBondContact OG-CG 3.46Å; S237-L239 PolarHBondContact OG-N 2.69Å; S237-M240 VanDerWaalsContact O-CB 3.3Å; S237-M240 WeakPolarHBondContact O-CB 3.37Å; S237-M240 WeakPolarHBondContact O-CG 3.41Å; S237-M240 PolarHBondContact O-N 3.12Å; S237-Y249 VanDerWaalsContact CB-CZ 3.49Å; S237-Y249 WeakPolarHBondContact CB-OH 3.37Å; S237-D297 WeakPolarHBondContact CB-OD2 2.83Å; S237-D297 WeakPolarHBondContact OG-CB 2.9Å; S237-D297 PolarHBondContact OG-OD2 3.16Å
238P86.9Confident82.3Confident93 Ų9353.6 Ų53.660%0.60429%0.294SS*.G310 helixtrans-53.6-27.7167.4-25.334.8000113.4M240 T241P238-M240 PolarHBondContact O-N 3.37Å; P238-M240 VanDerWaalsContact O-N 3.08Å; P238-T241 PolarHBondContact O-N 3.34Å; P238-T241 PolarHBondContact O-OG1 3.32Å
239L84.8Confident81.9Confident44 Ų4452.6 Ų52.623%0.2329%0.287CS..G310 helixtrans-57.7-22.5176.2-63.1175.7000113.2S237 T241 D242 A245 R246 Y249 D297S237-L239 PolarHBondContact O-N 2.87Å; S237-L239 VanDerWaalsContact O-N 3.13Å; S237-L239 WeakPolarHBondContact OG-CB 3.44Å; S237-L239 WeakPolarHBondContact OG-CG 3.46Å; S237-L239 PolarHBondContact OG-N 2.69Å; L239-T241 PolarHBondContact O-N 2.84Å; L239-D242 PolarHBondContact O-N 3.43Å; L239-A245 HydrophobicContact CB-CB 4.33Å; L239-A245 HydrophobicContact CD2-CB 4.13Å; L239-R246 WeakPolarHBondContact O-CA 3.27Å; L239-R246 PolarHBondContact O-N 3.41Å; L239-Y249 HydrophobicContact CB-CD2 4.14Å; L239-Y249 HydrophobicContact CB-CG 4.45Å; L239-Y249 HydrophobicContact CD1-CD2 4.13Å; L239-D297 HydrophobicContact CD1-CB 4.22Å
240M81.4Confident81.3Confident37 Ų3752.7 Ų52.718%0.18229%0.288CS..G310 helixtrans-67.1-20.6175.2-63.2179.861.400113.3M231 H232 T236 S237 P238 R246 Y249M231-M240 HydrophobicContact CB-CE 4.09Å; M231-M240 HydrophobicContact CB-SD 4.19Å; M231-M240 HydrophobicContact CE-CE 3.41Å; M231-M240 VanDerWaalsContact CE-CE 3.41Å; M231-M240 HydrophobicContact CE-CG 4.01Å; M231-M240 HydrophobicContact CE-SD 3.78Å; H232-M240 VanDerWaalsContact CE1-CE 3.4Å; H232-M240 WeakPolarHBondContact CE1-CE 3.34Å; T236-M240 HydrophobicContact CG2-SD 4.43Å; S237-M240 VanDerWaalsContact O-CB 3.3Å; S237-M240 WeakPolarHBondContact O-CB 3.37Å; S237-M240 WeakPolarHBondContact O-CG 3.41Å; S237-M240 PolarHBondContact O-N 3.12Å; P238-M240 PolarHBondContact O-N 3.37Å; P238-M240 VanDerWaalsContact O-N 3.08Å; M240-R246 VanDerWaalsContact O-CB 3.25Å; M240-R246 WeakPolarHBondContact O-CB 3.46Å; M240-Y249 HydrophobicContact CG-CD1 3.47Å; M240-Y249 VanDerWaalsContact CG-CD1 3.47Å; M240-Y249 HydrophobicContact CG-CE1 3.57Å; M240-Y249 HydrophobicContact CG-CG 4.31Å; M240-Y249 HydrophobicContact SD-CD1 4.23Å; M240-Y249 HydrophobicContact SD-CE1 3.81Å
241T83.6Confident80.7Confident124 Ų12452.7 Ų52.776%0.76129%0.288SS*.THydrogen-bonded Turntrans-98.8-14.5178.963.90000113P238 L239P238-T241 PolarHBondContact O-N 3.34Å; P238-T241 PolarHBondContact O-OG1 3.32Å; L239-T241 PolarHBondContact O-N 2.84Å
242D79.7Confident80.4Confident68 Ų6853.6 Ų53.636%0.36430%0.295SS..  trans-73.1127.5179.6-177.7-62.5000110.9L239 L244 A245 R246L239-D242 PolarHBondContact O-N 3.43Å; D242-L244 PolarHBondContact O-N 3Å; D242-L244 WeakPolarHBondContact OD1-CA 3.34Å; D242-L244 WeakPolarHBondContact OD1-CB 3.13Å; D242-L244 PolarHBondContact OD1-N 2.77Å; D242-A245 HydrophobicContact CB-CB 4.03Å; D242-A245 PolarHBondContact O-N 3.22Å; D242-A245 PolarHBondContact OD1-N 3.21Å; D242-R246 WeakPolarHBondContact O-CB 3.36Å; D242-R246 WeakPolarHBondContact O-CG 3.47Å; D242-R246 PolarHBondContact O-N 3.09Å
243S74.7Confident80.3Confident88 Ų8848.9 Ų48.962%0.61527%0.274SS*.THydrogen-bonded Turntrans-67.1-23-174.761.40000114.2
244L71.1Confident80.4Confident144 Ų14447.4 Ų47.475%0.75426%0.264SS*.THydrogen-bonded Turntrans-93.1-31179.5-59.1176.5000112D242D242-L244 PolarHBondContact O-N 3Å; D242-L244 WeakPolarHBondContact OD1-CA 3.34Å; D242-L244 WeakPolarHBondContact OD1-CB 3.13Å; D242-L244 PolarHBondContact OD1-N 2.77Å
245A71.5Confident80.7Confident5 Ų546.4 Ų46.44%0.04126%0.258CS..THydrogen-bonded Turntrans-101.9-24.8-175.400000114.9L239 D242 D247 L248 Y249 A294L239-A245 HydrophobicContact CB-CB 4.33Å; L239-A245 HydrophobicContact CD2-CB 4.13Å; D242-A245 HydrophobicContact CB-CB 4.03Å; D242-A245 PolarHBondContact O-N 3.22Å; D242-A245 PolarHBondContact OD1-N 3.21Å; A245-D247 PolarHBondContact O-N 3.15Å; A245-D247 VanDerWaalsContact O-N 3.11Å; A245-L248 WeakPolarHBondContact O-CA 3.45Å; A245-L248 WeakPolarHBondContact O-CB 3.42Å; A245-L248 PolarHBondContact O-N 3.14Å; A245-Y249 PolarHBondContact O-N 3.21Å; A245-A294 HydrophobicContact CB-CB 3.97Å
246R72.4Confident80.9Confident129 Ų12946.4 Ų46.449%0.48726%0.258SS..THydrogen-bonded Turntrans-57.3-33.4-173.769.4-175.2-169-168.8-3114.6L239 M240 D242 L248L239-R246 WeakPolarHBondContact O-CA 3.27Å; L239-R246 PolarHBondContact O-N 3.41Å; M240-R246 VanDerWaalsContact O-CB 3.25Å; M240-R246 WeakPolarHBondContact O-CB 3.46Å; D242-R246 WeakPolarHBondContact O-CB 3.36Å; D242-R246 WeakPolarHBondContact O-CG 3.47Å; D242-R246 PolarHBondContact O-N 3.09Å; R246-L248 PolarHBondContact O-N 3.25Å
247D67.1Low81Confident62 Ų6243 Ų4333%0.33224%0.237SC..THydrogen-bonded Turntrans-81.8-6-179.4-78.410.5000111.9R185 A245R185-D247 IonicContact NH1-OD2 3.92Å; R185-D247 IonicContact NH2-OD2 3.86Å; A245-D247 PolarHBondContact O-N 3.15Å; A245-D247 VanDerWaalsContact O-N 3.11Å
248L67.2Low81.3Confident54 Ų5442.8 Ų42.828%0.28324%0.236SC..THydrogen-bonded Turntrans-113.5-28.7-177.9-69.1176.7000113.2A245 R246 M250 N295A245-L248 WeakPolarHBondContact O-CA 3.45Å; A245-L248 WeakPolarHBondContact O-CB 3.42Å; A245-L248 PolarHBondContact O-N 3.14Å; R246-L248 PolarHBondContact O-N 3.25Å; L248-M250 PolarHBondContact O-N 3.05Å; L248-N295 HydrophobicContact CB-CB 4.4Å; L248-N295 WeakPolarHBondContact O-CA 3.49Å; L248-N295 WeakPolarHBondContact O-CB 3.46Å
249Y74.9Confident81.6Confident1 Ų138.4 Ų38.40%0.00421%0.207CC..  trans-56.6133.8-178.3177.9-107.7000111Y58 M231 L235 S237 L239 M240 A245 N295 D297Y58-Y249 PolarHBondContact OH-O 2.84Å; M231-Y249 HydrophobicContact CB-CE1 4.5Å; M231-Y249 HydrophobicContact CE-CD1 3.39Å; M231-Y249 HydrophobicContact CE-CE1 3.61Å; M231-Y249 HydrophobicContact CG-CE1 3.94Å; M231-Y249 HydrophobicContact SD-CD1 3.86Å; M231-Y249 HydrophobicContact SD-CE1 3.86Å; L235-Y249 PolarHBondContact O-OH 3.02Å; S237-Y249 VanDerWaalsContact CB-CZ 3.49Å; S237-Y249 WeakPolarHBondContact CB-OH 3.37Å; L239-Y249 HydrophobicContact CB-CD2 4.14Å; L239-Y249 HydrophobicContact CB-CG 4.45Å; L239-Y249 HydrophobicContact CD1-CD2 4.13Å; M240-Y249 HydrophobicContact CG-CD1 3.47Å; M240-Y249 VanDerWaalsContact CG-CD1 3.47Å; M240-Y249 HydrophobicContact CG-CE1 3.57Å; M240-Y249 HydrophobicContact CG-CG 4.31Å; M240-Y249 HydrophobicContact SD-CD1 4.23Å; M240-Y249 HydrophobicContact SD-CE1 3.81Å; A245-Y249 PolarHBondContact O-N 3.21Å; Y249-N295 CarbonylContact C-O 3.59Å; Y249-N295 WeakPolarHBondContact CA-O 3.39Å; Y249-D297 HydrophobicContact CE2-CB 3.9Å
250M76.8Confident81.9Confident22 Ų2236.7 Ų36.711%0.10820%0.198CC..  trans-152.1137.9169.6-175-144.5-52.600108.1P57 T151 I177 L248 T253 N295 H296P57-M250 HydrophobicContact CG-CB 4.46Å; P57-M250 HydrophobicContact CG-CG 4.19Å; T151-M250 HydrophobicContact CG2-CE 4.21Å; I177-M250 HydrophobicContact CG2-CE 4.19Å; I177-M250 HydrophobicContact CG2-SD 3.82Å; L248-M250 PolarHBondContact O-N 3.05Å; M250-T253 HydrophobicContact CG-CG2 4.41Å; M250-T253 HydrophobicContact SD-CG2 4.15Å; M250-N295 PolarHBondContact N-O 2.79Å; M250-N295 VanDerWaalsContact O-O 3.07Å; M250-H296 PolarHBondContact O-CE1 3.07Å; M250-H296 PolarHBondContact O-ND1 2.48Å
251P78.3Confident82.3Confident0 Ų035 Ų350%019%0.19CC..  trans-78165.6175.530.1-36.3000113L230 M231 L235 T253 E301L230-P251 HydrophobicContact CB-CG 4.42Å; M231-P251 HydrophobicContact CG-CG 3.57Å; M231-P251 WeakPolarHBondContact SD-CD 3.33Å; M231-P251 HydrophobicContact SD-CG 4.31Å; L235-P251 HydrophobicContact CB-CB 4.2Å; L235-P251 HydrophobicContact CD1-CB 3.27Å; L235-P251 HydrophobicContact CD1-CG 4.41Å; L235-P251 HydrophobicContact CG-CB 4.37Å; P251-T253 VanDerWaalsContact C-N 3.34Å; P251-T253 HydrophobicContact CG-CG2 4.45Å; P251-T253 WeakPolarHBondContact O-CG2 3.47Å; P251-T253 PolarHBondContact O-N 2.66Å; P251-E301 WeakPolarHBondContact CA-OE1 3.48Å
252S79.2Confident82.7Confident23 Ų2329.1 Ų29.116%0.16115%0.154CC..  trans-61.189164.8-71.70000112.1E301S252-E301 WeakPolarHBondContact CB-OE2 3.41Å; S252-E301 PolarHBondContact N-OE1 3.16Å; S252-E301 PolarHBondContact OG-OE1 2.66Å; S252-E301 PolarHBondContact OG-OE2 3.04Å
253T86Confident83.2Confident5 Ų526.6 Ų26.63%0.03114%0.14CC..Hα-helixtrans-70.4-35.3-171.448.70000113.9I177 L222 I227 L230 M250 P251 L255 L256 T257I177-T253 WeakPolarHBondContact CD1-OG1 3.3Å; I177-T253 HydrophobicContact CG2-CG2 4.41Å; L222-T253 HydrophobicContact CD1-CG2 4.17Å; I227-T253 HydrophobicContact CG1-CG2 4.23Å; I227-T253 HydrophobicContact CG2-CG2 4.47Å; L230-T253 HydrophobicContact CD1-CG2 4.49Å; M250-T253 HydrophobicContact CG-CG2 4.41Å; M250-T253 HydrophobicContact SD-CG2 4.15Å; P251-T253 VanDerWaalsContact C-N 3.34Å; P251-T253 HydrophobicContact CG-CG2 4.45Å; P251-T253 WeakPolarHBondContact O-CG2 3.47Å; P251-T253 PolarHBondContact O-N 2.66Å; T253-L255 PolarHBondContact O-N 3.08Å; T253-L256 PolarHBondContact O-N 3.16Å; T253-T257 WeakPolarHBondContact O-CB 3.46Å; T253-T257 PolarHBondContact O-N 3.46Å; T253-T257 PolarHBondContact O-OG1 2.88Å
254M92.7Very high84.1Confident0 Ų023.2 Ų23.20%012%0.115CC..Hα-helixtrans-67.7-38.4-172.3-72.4-65.6-69.300114.4F127 M129 I175 I177 L256 T257 A258F127-M254 HydrophobicContact CB-CE 4.08Å; F127-M254 HydrophobicContact CD1-CE 3.66Å; F127-M254 HydrophobicContact CG-CE 4.36Å; M129-M254 HydrophobicContact CB-CG 4.07Å; M129-M254 HydrophobicContact CE-CB 3.6Å; M129-M254 HydrophobicContact CE-CG 4.28Å; M129-M254 HydrophobicContact SD-CB 3.59Å; M129-M254 VanDerWaalsContact SD-CB 3.59Å; M129-M254 HydrophobicContact SD-CG 3.85Å; I175-M254 HydrophobicContact CB-SD 4.39Å; I175-M254 HydrophobicContact CD1-CE 4.23Å; I175-M254 HydrophobicContact CD1-SD 4.41Å; I175-M254 HydrophobicContact CG2-SD 4.44Å; I177-M254 HydrophobicContact CD1-CG 4.28Å; M254-L256 VanDerWaalsContact C-N 3.34Å; M254-T257 WeakPolarHBondContact O-CB 3.39Å; M254-T257 PolarHBondContact O-N 3.11Å; M254-A258 PolarHBondContact O-N 3.38Å
255L95.8Very high85.4Confident0 Ų016.5 Ų16.50%08%0.08CC..Hα-helixtrans-65.5-42.1176-179.154.2000111.1V104 T253 A258 L259 V265 A267 F270 W305 L314V104-L255 HydrophobicContact CB-CD1 3.89Å; V104-L255 HydrophobicContact CG1-CB 4.27Å; V104-L255 HydrophobicContact CG1-CD1 4.28Å; V104-L255 HydrophobicContact CG2-CD1 3.81Å; T253-L255 PolarHBondContact O-N 3.08Å; L255-A258 PolarHBondContact O-N 3.35Å; L255-L259 HydrophobicContact CG-CD1 4.39Å; L255-L259 WeakPolarHBondContact O-CG 3.4Å; L255-L259 PolarHBondContact O-N 3.43Å; L255-V265 HydrophobicContact CD1-CG1 3.82Å; L255-A267 HydrophobicContact CD1-CB 3.97Å; L255-A267 HydrophobicContact CD2-CB 4.08Å; L255-F270 HydrophobicContact CB-CE1 3.72Å; L255-F270 HydrophobicContact CB-CZ 3.69Å; L255-F270 HydrophobicContact CD1-CZ 4.49Å; L255-F270 HydrophobicContact CD2-CD1 3.72Å; L255-F270 HydrophobicContact CD2-CD2 4.4Å; L255-F270 HydrophobicContact CD2-CE1 3.61Å; L255-F270 HydrophobicContact CD2-CE2 4.3Å; L255-F270 HydrophobicContact CD2-CG 4.14Å; L255-F270 HydrophobicContact CD2-CZ 3.93Å; L255-F270 HydrophobicContact CG-CE1 4.25Å; L255-F270 HydrophobicContact CG-CZ 4.25Å; L255-W305 HydrophobicContact CB-CH2 4.35Å; L255-W305 HydrophobicContact CD2-CD2 3.62Å; L255-W305 HydrophobicContact CD2-CE3 3.47Å; L255-W305 VanDerWaalsContact CD2-CE3 3.47Å; L255-W305 HydrophobicContact CD2-CG 4.39Å; L255-W305 HydrophobicContact CD2-CH2 3.84Å; L255-W305 HydrophobicContact CD2-CZ2 3.96Å; L255-W305 HydrophobicContact CD2-CZ3 3.58Å; L255-W305 HydrophobicContact CG-CE3 4.33Å; L255-W305 HydrophobicContact CG-CH2 4.27Å; L255-W305 HydrophobicContact CG-CZ3 4.02Å; L255-L314 HydrophobicContact CD1-CD1 4.03Å; L255-L314 HydrophobicContact CD2-CD2 4.26Å
256L94.7Very high86.7Confident0 Ų016.7 Ų16.70%08%0.081CC..Hα-helixtrans-68.6-35.5176.9-69.1166.9000111.8L230 L234 L235 T253 M254 L259 H260 L304 W305L230-L256 HydrophobicContact CB-CD1 4.18Å; L230-L256 HydrophobicContact CD1-CB 3.67Å; L230-L256 HydrophobicContact CD1-CD1 3.85Å; L230-L256 HydrophobicContact CD1-CG 4.39Å; L230-L256 HydrophobicContact CD2-CB 3.76Å; L230-L256 HydrophobicContact CD2-CD1 3.99Å; L230-L256 HydrophobicContact CD2-CD2 4.42Å; L230-L256 HydrophobicContact CD2-CG 4.26Å; L230-L256 HydrophobicContact CG-CB 4.34Å; L230-L256 HydrophobicContact CG-CD1 4.22Å; L234-L256 HydrophobicContact CD1-CD2 3.66Å; L235-L256 HydrophobicContact CD1-CD1 3.66Å; T253-L256 PolarHBondContact O-N 3.16Å; M254-L256 VanDerWaalsContact C-N 3.34Å; L256-L259 HydrophobicContact CD2-CD1 4.05Å; L256-L259 PolarHBondContact O-N 2.88Å; L256-H260 PolarHBondContact O-N 3.28Å; L256-H260 VanDerWaalsContact O-N 3.13Å; L256-H260 PolarHBondContact O-ND1 3.09Å; L256-L304 HydrophobicContact CD2-CD2 4.46Å; L256-W305 HydrophobicContact CD1-CH2 4.24Å; L256-W305 HydrophobicContact CD2-CH2 4.27Å; L256-W305 HydrophobicContact CD2-CZ3 4.06Å; L256-W305 HydrophobicContact CG-CH2 3.99Å; L256-W305 HydrophobicContact CG-CZ3 4.26Å
257T93.8Very high87.9Confident0 Ų010.5 Ų10.50%06%0.057CC..Hα-helixtrans-57.4-47.9169.7-66.40000111.2V36 L222 T253 M254 L259 H260 T261V36-T257 HydrophobicContact CG1-CG2 3.83Å; L222-T257 HydrophobicContact CD2-CG2 4.15Å; L222-T257 WeakPolarHBondContact CD2-OG1 3.48Å; T253-T257 WeakPolarHBondContact O-CB 3.46Å; T253-T257 PolarHBondContact O-N 3.46Å; T253-T257 PolarHBondContact O-OG1 2.88Å; M254-T257 WeakPolarHBondContact O-CB 3.39Å; M254-T257 PolarHBondContact O-N 3.11Å; T257-L259 PolarHBondContact O-N 3.16Å; T257-H260 PolarHBondContact O-N 2.97Å; T257-T261 WeakPolarHBondContact O-CB 3.39Å; T257-T261 VanDerWaalsContact O-CG2 3.23Å; T257-T261 WeakPolarHBondContact O-CG2 3.36Å; T257-T261 PolarHBondContact O-N 3.16Å; T257-T261 PolarHBondContact O-OG1 3.28Å
258A94.5Very high89.4Confident0 Ų08.6 Ų8.60%05%0.046CC..Hα-helixtrans-62.5-41.8176.800000112V104 F127 M254 L255 H260 T261 C262 V265V104-A258 HydrophobicContact CG2-CB 3.39Å; F127-A258 HydrophobicContact CD2-CB 4.36Å; F127-A258 HydrophobicContact CE2-CB 4.29Å; F127-A258 HydrophobicContact CZ-CB 4.47Å; M254-A258 PolarHBondContact O-N 3.38Å; L255-A258 PolarHBondContact O-N 3.35Å; A258-H260 PolarHBondContact O-N 2.79Å; A258-T261 PolarHBondContact O-N 3.21Å; A258-T261 VanDerWaalsContact O-N 3.09Å; A258-T261 PolarHBondContact O-OG1 3.44Å; A258-C262 VanDerWaalsContact O-CB 3.31Å; A258-C262 WeakPolarHBondContact O-CB 3.44Å; A258-C262 PolarHBondContact O-N 3Å; A258-C262 PolarHBondContact O-SG 3.18Å; A258-V265 HydrophobicContact CB-CG1 4.18Å; A258-V265 HydrophobicContact CB-CG2 4.14Å
259L93.9Very high90.9Very high0 Ų06.2 Ų6.20%04%0.035CC..Hα-helixtrans-61.5-26.8177.4-74.3167.2000113.5L16 L255 L256 T257 V265 L308 V313 L314L16-L259 VanDerWaalsContact CD1-O 3.24Å; L16-L259 WeakPolarHBondContact CD1-O 3.38Å; L16-L259 HydrophobicContact CD2-CD2 4.19Å; L255-L259 HydrophobicContact CG-CD1 4.39Å; L255-L259 WeakPolarHBondContact O-CG 3.4Å; L255-L259 PolarHBondContact O-N 3.43Å; L256-L259 HydrophobicContact CD2-CD1 4.05Å; L256-L259 PolarHBondContact O-N 2.88Å; T257-L259 PolarHBondContact O-N 3.16Å; L259-V265 HydrophobicContact CD2-CB 3.99Å; L259-V265 HydrophobicContact CD2-CG1 4.42Å; L259-V265 HydrophobicContact CD2-CG2 4.01Å; L259-V265 HydrophobicContact CG-CG2 4.41Å; L259-L308 HydrophobicContact CD1-CD1 3.77Å; L259-V313 HydrophobicContact CD2-CG1 4.01Å; L259-L314 HydrophobicContact CD2-CD1 4.48Å
260H91.6Very high91.9Very high8 Ų86.9 Ų6.94%0.0374%0.037CC..Hα-helixtrans-87.2-15.9177.5-73.176000113.5R17 F30 V36 F226 Y229 L256 T257 A258R17-H260 PolarHBondContact NH2-O 2.82Å; F30-H260 AromaticContact CD1-CE1 3.67Å; F30-H260 AromaticContact CD1-NE2 3.66Å; F30-H260 AromaticContact CE1-CE1 3.68Å; V36-H260 HydrophobicContact CG2-CB 3.74Å; F226-H260 HydrophobicContact CE2-CB 4.19Å; F226-H260 AromaticContact CE2-CD2 3.79Å; F226-H260 AromaticContact CE2-CG 3.63Å; F226-H260 AromaticContact CE2-ND1 3.78Å; F226-H260 HydrophobicContact CZ-CB 4.17Å; F226-H260 AromaticContact CZ-CG 3.8Å; F226-H260 AromaticContact CZ-ND1 3.66Å; Y229-H260 AromaticContact CE1-CE1 3.86Å; Y229-H260 AromaticContact CE1-NE2 3.39Å; Y229-H260 WeakPolarHBondContact CE1-NE2 3.22Å; Y229-H260 AromaticContact CZ-NE2 3.79Å; Y229-H260 PolarHBondContact OH-NE2 2.98Å; L256-H260 PolarHBondContact O-N 3.28Å; L256-H260 VanDerWaalsContact O-N 3.13Å; L256-H260 PolarHBondContact O-ND1 3.09Å; T257-H260 PolarHBondContact O-N 2.97Å; A258-H260 PolarHBondContact O-N 2.79Å
261T89.8Confident92.8Very high2 Ų27 Ų71%0.0124%0.038CC..Hα-helixtrans-118.8-34.2-165.857.60000112.7R17 V36 C87 L91 T257 A258R17-T261 PolarHBondContact NH2-O 3.17Å; V36-T261 HydrophobicContact CB-CG2 4.31Å; V36-T261 HydrophobicContact CG1-CG2 4.1Å; V36-T261 HydrophobicContact CG2-CG2 4.04Å; C87-T261 HydrophobicContact CB-CG2 4Å; L91-T261 HydrophobicContact CD1-CG2 3.51Å; T257-T261 WeakPolarHBondContact O-CB 3.39Å; T257-T261 VanDerWaalsContact O-CG2 3.23Å; T257-T261 WeakPolarHBondContact O-CG2 3.36Å; T257-T261 PolarHBondContact O-N 3.16Å; T257-T261 PolarHBondContact O-OG1 3.28Å; A258-T261 PolarHBondContact O-N 3.21Å; A258-T261 VanDerWaalsContact O-N 3.09Å; A258-T261 PolarHBondContact O-OG1 3.44Å
262C91.1Very high93.7Very high0 Ų07.4 Ų7.40%04%0.041CC..  trans-89.2165.4179.4-54.30000112.6L16 R17 C102 A258 V265L16-C262 WeakPolarHBondContact CD2-O 3.3Å; R17-C262 PolarHBondContact NH1-O 3.39Å; C102-C262 HydrophobicContact CB-CB 3.68Å; C102-C262 WeakPolarHBondContact CB-SG 3.45Å; C102-C262 WeakPolarHBondContact SG-CB 3.14Å; C102-C262 CovalentContact SG-SG 2.01Å; C102-C262 PolarHBondContact SG-SG 2.86Å; A258-C262 VanDerWaalsContact O-CB 3.31Å; A258-C262 WeakPolarHBondContact O-CB 3.44Å; A258-C262 PolarHBondContact O-N 3Å; A258-C262 PolarHBondContact O-SG 3.18Å; C262-V265 HydrophobicContact CB-CG2 3.84Å
263D90.8Very high94.4Very high16 Ų1615 Ų159%0.0867%0.066CC..SBendtrans-93.1-30.2176.1-61.4-47.5000111.4S15 L16 R17 K88 V100S15-D263 CarbonylContact C-O 3.48Å; S15-D263 WeakPolarHBondContact CA-O 3.38Å; L16-D263 PolarHBondContact N-O 3.03Å; R17-D263 IonicContact NH1-OD1 2.77Å; R17-D263 PolarHBondContact NH1-OD1 3.17Å; K88-D263 IonicContact NZ-OD2 3.18Å; K88-D263 PolarHBondContact NZ-OD2 2.78Å; V100-D263 PolarHBondContact N-OD2 2.89Å; V100-D263 PolarHBondContact O-N 2.96Å
264Q93.9Very high94.9Very high17 Ų1716.7 Ų16.78%0.0798%0.075CC..EExtended strand (participates in β ladder)trans-137.3141.4171.9-63.1178.212.400109.6P13 V100 R101 C102P13-Q264 PolarHBondContact O-NE2 3.26Å; V100-Q264 PolarHBondContact O-N 3.19Å; V100-Q264 VanDerWaalsContact O-N 3.11Å; R101-Q264 HydrophobicContact CG-CB 4.31Å; C102-Q264 PolarHBondContact N-O 2.99Å
265V96.8Very high95Very high3 Ų320.2 Ų20.22%0.0189%0.089CC..EExtended strand (participates in β ladder)trans-130.6133.7-179.4-176.90000110.5L16 C102 V104 L255 A258 L259 C262 L314 R315L16-V265 HydrophobicContact CD2-CG2 3.9Å; C102-V265 CarbonylContact O-C 3.56Å; C102-V265 WeakPolarHBondContact O-CA 3.4Å; V104-V265 HydrophobicContact CG2-CG1 3.93Å; L255-V265 HydrophobicContact CD1-CG1 3.82Å; A258-V265 HydrophobicContact CB-CG1 4.18Å; A258-V265 HydrophobicContact CB-CG2 4.14Å; L259-V265 HydrophobicContact CD2-CB 3.99Å; L259-V265 HydrophobicContact CD2-CG1 4.42Å; L259-V265 HydrophobicContact CD2-CG2 4.01Å; L259-V265 HydrophobicContact CG-CG2 4.41Å; C262-V265 HydrophobicContact CB-CG2 3.84Å; V265-L314 HydrophobicContact CB-CD1 4.02Å; V265-L314 HydrophobicContact CG1-CD1 3.67Å; V265-R315 PolarHBondContact O-N 3.26Å
266S98.5Very high94.9Very high8 Ų824 Ų246%0.05612%0.119CC..EExtended strand (participates in β ladder)trans-115.9130.1168.6-55.50000109.4C102 A103 V104 H123 Y268 R315C102-S266 PolarHBondContact O-N 2.92Å; A103-S266 CarbonylContact C-O 3.58Å; A103-S266 WeakPolarHBondContact CA-O 2.99Å; V104-S266 PolarHBondContact N-O 3.02Å; H123-S266 VanDerWaalsContact NE2-CB 3.34Å; H123-S266 WeakPolarHBondContact NE2-CB 3.26Å; H123-S266 PolarHBondContact NE2-OG 3.36Å; S266-Y268 VanDerWaalsContact CB-CE2 3.46Å; S266-R315 CarbonylContact C-O 3.17Å; S266-R315 VanDerWaalsContact CA-O 3.24Å; S266-R315 WeakPolarHBondContact CA-O 3.5Å
267A98.6Very high95Very high0 Ų027.6 Ų27.60%014%0.139CC..EExtended strand (participates in β ladder)trans-105.3125.8178.700000110.3L255 F270 L314 R315 L316 F317L255-A267 HydrophobicContact CD1-CB 3.97Å; L255-A267 HydrophobicContact CD2-CB 4.08Å; A267-F270 HydrophobicContact CB-CD2 3.72Å; A267-F270 HydrophobicContact CB-CE2 4.19Å; A267-F270 HydrophobicContact CB-CG 4.28Å; A267-L314 HydrophobicContact CB-CD1 3.81Å; A267-L314 HydrophobicContact CB-CD2 4.11Å; A267-L314 HydrophobicContact CB-CG 4.29Å; A267-R315 PolarHBondContact N-O 3.05Å; A267-L316 HydrophobicContact CB-CD1 3.91Å; A267-F317 WeakPolarHBondContact O-CB 3.46Å; A267-F317 PolarHBondContact O-N 3.32Å
268Y98.7Very high95.1Very high21 Ų2129 Ų298%0.08215%0.145CC..EExtended strand (participates in β ladder)trans-121.2135.7-179.8-65.8-88.2000109.2A103 V104 V105 G106 L111 Q116 I120 H123 S266 F270 F317A103-Y268 HydrophobicContact CB-CD2 4.12Å; A103-Y268 HydrophobicContact CB-CE2 3.94Å; V104-Y268 PolarHBondContact O-N 3.28Å; V105-Y268 CarbonylContact C-O 3.6Å; V105-Y268 WeakPolarHBondContact CA-O 2.98Å; G106-Y268 PolarHBondContact N-O 2.81Å; L111-Y268 HydrophobicContact CD2-CD1 4.49Å; Q116-Y268 HydrophobicContact CB-CD1 4.12Å; Q116-Y268 HydrophobicContact CB-CE1 4.15Å; Q116-Y268 HydrophobicContact CG-CD1 4.27Å; Q116-Y268 HydrophobicContact CG-CE1 4.26Å; I120-Y268 HydrophobicContact CD1-CD1 4.09Å; I120-Y268 HydrophobicContact CD1-CD2 4.45Å; I120-Y268 HydrophobicContact CD1-CG 4Å; I120-Y268 HydrophobicContact CG1-CD1 3.86Å; I120-Y268 HydrophobicContact CG1-CD2 3.75Å; I120-Y268 HydrophobicContact CG1-CE1 3.99Å; I120-Y268 HydrophobicContact CG1-CE2 3.87Å; I120-Y268 HydrophobicContact CG1-CG 3.74Å; H123-Y268 AromaticContact CE1-CE2 3.98Å; H123-Y268 PolarHBondContact CE1-OH 2.95Å; S266-Y268 VanDerWaalsContact CB-CE2 3.46Å; Y268-F270 VanDerWaalsContact C-N 3.28Å; Y268-F270 VanDerWaalsContact O-CD2 3.29Å; Y268-F270 WeakPolarHBondContact O-CD2 3Å; Y268-F270 PolarHBondContact O-N 3.46Å; Y268-F317 HydrophobicContact CD1-CB 3.72Å; Y268-F317 HydrophobicContact CD1-CD2 4.39Å; Y268-F317 AromaticContact CD1-CG 3.98Å; Y268-F317 HydrophobicContact CD1-CG 3.98Å; Y268-F317 HydrophobicContact CE1-CB 4.14Å; Y268-F317 HydrophobicContact CE1-CD2 4.39Å; Y268-F317 HydrophobicContact CE1-CG 4.38Å; Y268-F317 HydrophobicContact CG-CB 4.37Å
269G97.6Very high95.1Very high5 Ų530 Ų305%0.05215%0.152CC..SBendtrans71.520.4176.400000115G106 G108G106-G269 CarbonylContact C-O 3.58Å; G108-G269 WeakPolarHBondContact CA-O 3.36Å; G108-G269 PolarHBondContact N-O 2.86Å
270F97.2Very high95.1Very high14 Ų1431.6 Ų31.66%0.06116%0.16CC..  trans-91.3157.2171.5-76.3-97.5000110.5V104 M129 L255 A267 Y268 T272 W305 L316V104-F270 HydrophobicContact CB-CE2 4.14Å; V104-F270 HydrophobicContact CB-CZ 4.41Å; V104-F270 HydrophobicContact CG1-CE2 3.79Å; V104-F270 HydrophobicContact CG1-CZ 3.65Å; V104-F270 WeakPolarHBondContact O-CE2 3.21Å; M129-F270 HydrophobicContact CE-CZ 3.93Å; L255-F270 HydrophobicContact CB-CE1 3.72Å; L255-F270 HydrophobicContact CB-CZ 3.69Å; L255-F270 HydrophobicContact CD1-CZ 4.49Å; L255-F270 HydrophobicContact CD2-CD1 3.72Å; L255-F270 HydrophobicContact CD2-CD2 4.4Å; L255-F270 HydrophobicContact CD2-CE1 3.61Å; L255-F270 HydrophobicContact CD2-CE2 4.3Å; L255-F270 HydrophobicContact CD2-CG 4.14Å; L255-F270 HydrophobicContact CD2-CZ 3.93Å; L255-F270 HydrophobicContact CG-CE1 4.25Å; L255-F270 HydrophobicContact CG-CZ 4.25Å; A267-F270 HydrophobicContact CB-CD2 3.72Å; A267-F270 HydrophobicContact CB-CE2 4.19Å; A267-F270 HydrophobicContact CB-CG 4.28Å; Y268-F270 VanDerWaalsContact C-N 3.28Å; Y268-F270 VanDerWaalsContact O-CD2 3.29Å; Y268-F270 WeakPolarHBondContact O-CD2 3Å; Y268-F270 PolarHBondContact O-N 3.46Å; F270-T272 PolarHBondContact O-N 3.16Å; F270-W305 AromaticContact CD1-NE1 3.88Å; F270-L316 HydrophobicContact CB-CD1 4.11Å
271I95.8Very high95.3Very high25 Ų2532.4 Ų32.413%0.12816%0.164CC..  trans-59.2130.4179.6-169.9175.3000111.2Y275 L290 F292 L298I271-Y275 HydrophobicContact CD1-CD1 4.06Å; I271-Y275 HydrophobicContact CD1-CG 4.17Å; I271-Y275 HydrophobicContact CG1-CD1 4.06Å; I271-Y275 HydrophobicContact CG1-CG 4.01Å; I271-L290 HydrophobicContact CD1-CD2 3.73Å; I271-L290 HydrophobicContact CG1-CD2 4.26Å; I271-F292 HydrophobicContact CD1-CE1 4.03Å; I271-F292 HydrophobicContact CD1-CZ 4.23Å; I271-L298 HydrophobicContact CD1-CB 3.85Å; I271-L298 WeakPolarHBondContact CG2-O 3.48Å
272T96.4Very high95.6Very high8 Ų832.3 Ų32.35%0.04916%0.163CC..  trans-120170.8175.459.10000109.8I110 F270 N274 Y275 L316 Q318I110-T272 HydrophobicContact CD1-CG2 3.95Å; F270-T272 PolarHBondContact O-N 3.16Å; T272-N274 PolarHBondContact O-N 2.87Å; T272-N274 VanDerWaalsContact O-N 3.14Å; T272-N274 PolarHBondContact OG1-OD1 3.3Å; T272-Y275 WeakPolarHBondContact O-CB 3.3Å; T272-Y275 WeakPolarHBondContact O-CD1 3.33Å; T272-Y275 PolarHBondContact O-N 3.31Å; T272-Y275 VanDerWaalsContact O-N 3.08Å; T272-L316 HydrophobicContact CG2-CD2 4.35Å; T272-L316 HydrophobicContact CG2-CG 4.5Å; T272-Q318 HydrophobicContact CG2-CG 3.95Å
273R94.9Very high95.7Very high183 Ų18332.8 Ų32.869%0.69117%0.165SC*.THydrogen-bonded Turntrans-54.4-34.6178.9-71.3-173176.8177.37.6113.5E306R273-E306 VanDerWaalsContact CZ-CD 3.44Å; R273-E306 IonicContact CZ-OE1 2.82Å; R273-E306 IonicContact CZ-OE2 2.81Å; R273-E306 IonicContact NE-OE1 3.93Å; R273-E306 PolarHBondContact NE-OE1 2.87Å; R273-E306 IonicContact NE-OE2 2.91Å; R273-E306 PolarHBondContact NE-OE2 3.31Å; R273-E306 IonicContact NH1-OE1 2.69Å; R273-E306 IonicContact NH2-OE1 3.81Å; R273-E306 PolarHBondContact NH2-OE1 3.11Å; R273-E306 IonicContact NH2-OE2 3.71Å; R273-E306 PolarHBondContact NH2-OE2 2.79Å
274N95.1Very high95.8Very high40 Ų4032 Ų3221%0.21416%0.161CC..THydrogen-bonded Turntrans-99.929.6-178.572.9-40.2000113.1T272 A276 D277 F278 R319T272-N274 PolarHBondContact O-N 2.87Å; T272-N274 VanDerWaalsContact O-N 3.14Å; T272-N274 PolarHBondContact OG1-OD1 3.3Å; N274-A276 PolarHBondContact O-N 3.27Å; N274-A276 VanDerWaalsContact O-N 3.09Å; N274-D277 WeakPolarHBondContact CB-OD2 3.31Å; N274-D277 PolarHBondContact ND2-OD2 2.96Å; N274-D277 WeakPolarHBondContact O-CB 3.21Å; N274-D277 PolarHBondContact O-N 2.89Å; N274-F278 WeakPolarHBondContact ND2-CE2 3.36Å; N274-F278 WeakPolarHBondContact O-CD2 3.34Å; N274-F278 WeakPolarHBondContact O-CE2 3.47Å; N274-R319 PolarHBondContact ND2-O 3.11Å
275Y94.8Very high95.6Very high75 Ų7535.9 Ų35.929%0.29419%0.19SC..G310 helixtrans-53.6-31.917972.9-89.5000113I271 T272 D277 F278 L290 F292I271-Y275 HydrophobicContact CD1-CD1 4.06Å; I271-Y275 HydrophobicContact CD1-CG 4.17Å; I271-Y275 HydrophobicContact CG1-CD1 4.06Å; I271-Y275 HydrophobicContact CG1-CG 4.01Å; T272-Y275 WeakPolarHBondContact O-CB 3.3Å; T272-Y275 WeakPolarHBondContact O-CD1 3.33Å; T272-Y275 PolarHBondContact O-N 3.31Å; T272-Y275 VanDerWaalsContact O-N 3.08Å; Y275-D277 PolarHBondContact O-N 3.29Å; Y275-F278 PolarHBondContact O-N 3.03Å; Y275-F278 VanDerWaalsContact O-N 3.13Å; Y275-L290 HydrophobicContact CD2-CB 3.94Å; Y275-L290 HydrophobicContact CD2-CD2 3.61Å; Y275-L290 HydrophobicContact CD2-CG 4.39Å; Y275-L290 HydrophobicContact CE2-CB 4.18Å; Y275-L290 HydrophobicContact CE2-CD2 4.08Å; Y275-L290 HydrophobicContact CG-CD2 4.16Å; Y275-F292 HydrophobicContact CD2-CZ 4.48Å; Y275-F292 HydrophobicContact CE1-CZ 4.09Å; Y275-F292 AromaticContact CE2-CE2 3.8Å; Y275-F292 HydrophobicContact CE2-CE2 3.8Å; Y275-F292 AromaticContact CE2-CZ 3.71Å; Y275-F292 HydrophobicContact CE2-CZ 3.71Å; Y275-F292 AromaticContact CZ-CE2 3.76Å; Y275-F292 AromaticContact CZ-CZ 3.49Å; Y275-F292 VanDerWaalsContact CZ-CZ 3.49Å; Y275-F292 WeakPolarHBondContact OH-CE2 3.02Å; Y275-F292 WeakPolarHBondContact OH-CZ 3.03Å
276A95.3Very high95.3Very high78 Ų7840.2 Ų40.265%0.64522%0.216SC*.G310 helixtrans-66.5-14.9-179.800000113.9N274 F278N274-A276 PolarHBondContact O-N 3.27Å; N274-A276 VanDerWaalsContact O-N 3.09Å; A276-F278 PolarHBondContact O-N 3.49Å
277D95.4Very high95.1Very high77 Ų7744.9 Ų44.941%0.41225%0.246SC..G310 helixtrans-74.9-11.4174.7-66-17.3000112.6N274 Y275N274-D277 WeakPolarHBondContact CB-OD2 3.31Å; N274-D277 PolarHBondContact ND2-OD2 2.96Å; N274-D277 WeakPolarHBondContact O-CB 3.21Å; N274-D277 PolarHBondContact O-N 2.89Å; Y275-D277 PolarHBondContact O-N 3.29Å
278F95.8Very high94.8Very high30 Ų3050 Ų5013%0.13227%0.266CS..SBendtrans-123.9163.3-172.7-50.1-77.1000111.5I110 N274 Y275 A276 R319I110-F278 HydrophobicContact CB-CD1 4.44Å; I110-F278 HydrophobicContact CB-CD2 3.89Å; I110-F278 HydrophobicContact CB-CE2 4.02Å; I110-F278 HydrophobicContact CB-CG 4.11Å; I110-F278 HydrophobicContact CB-CZ 4.38Å; I110-F278 HydrophobicContact CD1-CD2 4.48Å; I110-F278 HydrophobicContact CD1-CE2 3.86Å; I110-F278 HydrophobicContact CD1-CZ 4.22Å; I110-F278 HydrophobicContact CG1-CD2 4.09Å; I110-F278 HydrophobicContact CG1-CE1 4.22Å; I110-F278 HydrophobicContact CG1-CE2 3.68Å; I110-F278 HydrophobicContact CG1-CZ 3.76Å; N274-F278 WeakPolarHBondContact ND2-CE2 3.36Å; N274-F278 WeakPolarHBondContact O-CD2 3.34Å; N274-F278 WeakPolarHBondContact O-CE2 3.47Å; Y275-F278 PolarHBondContact O-N 3.03Å; Y275-F278 VanDerWaalsContact O-N 3.13Å; A276-F278 PolarHBondContact O-N 3.49Å; F278-R319 HydrophobicContact CE1-CG 4.48Å; F278-R319 HydrophobicContact CZ-CG 4.09Å
279S95.6Very high94.6Very high20 Ų2053.9 Ų53.914%0.1429%0.294CS..  trans-65.8163.5168.4-159.30000111G109 D284 P287 R288G109-S279 WeakPolarHBondContact CA-O 3.3Å; G109-S279 PolarHBondContact N-O 2.65Å; S279-D284 WeakPolarHBondContact OG-CB 3.09Å; S279-D284 PolarHBondContact OG-OD2 3.43Å; S279-P287 WeakPolarHBondContact OG-CA 3.28Å; S279-R288 CarbonylContact C-O 3.58Å; S279-R288 WeakPolarHBondContact CA-O 3.39Å; S279-R288 PolarHBondContact OG-N 3.23Å; S279-R288 PolarHBondContact OG-O 3.21Å
280D94.1Very high94.3Very high33 Ų3355.7 Ų55.718%0.17630%0.302CS..SBendtrans-51.6-57.5171.2-170.413000110.1G108 G109 R288 L290G108-D280 WeakPolarHBondContact CA-O 3.17Å; G109-D280 PolarHBondContact N-O 2.83Å; G109-D280 VanDerWaalsContact N-O 3.09Å; D280-R288 HydrophobicContact CB-CB 4.2Å; D280-R288 PolarHBondContact N-O 2.61Å; D280-L290 WeakPolarHBondContact OD1-CD1 3.4Å
281H95Very high93.8Very high25 Ų2562.9 Ų62.912%0.11633%0.329CS..BIsolated β-bridgetrans-115.4151.4177.7-55.294.5000113.6N107 Y158 Y283 D284N107-H281 WeakPolarHBondContact O-CA 3.39Å; Y158-H281 AromaticContact CE1-NE2 3.91Å; H281-Y283 HydrophobicContact CB-CD1 4.12Å; H281-Y283 HydrophobicContact CB-CD2 3.96Å; H281-Y283 HydrophobicContact CB-CE1 3.78Å; H281-Y283 HydrophobicContact CB-CE2 3.58Å; H281-Y283 HydrophobicContact CB-CG 4.23Å; H281-Y283 AromaticContact CD2-CZ 3.68Å; H281-Y283 PolarHBondContact CD2-OH 3.13Å; H281-Y283 AromaticContact CG-CE2 3.83Å; H281-Y283 AromaticContact CG-CZ 3.55Å; H281-Y283 PolarHBondContact O-N 3.13Å; H281-D284 PolarHBondContact N-OD2 3.37Å; H281-D284 IonicContact ND1-OD1 3.27Å; H281-D284 PolarHBondContact O-N 3.04Å
282Y95.9Very high93.3Very high0 Ų065.7 Ų65.70%034%0.34CS..THydrogen-bonded Turntrans-66.8-22.6177.961-104.5000113.4N107 L111 R112 V133 F137 V141N107-Y282 HydrophobicContact CB-CE1 4.24Å; N107-Y282 VanDerWaalsContact O-CD1 3.25Å; N107-Y282 WeakPolarHBondContact O-CD1 2.92Å; N107-Y282 PolarHBondContact O-N 3.24Å; N107-Y282 VanDerWaalsContact O-N 3.13Å; L111-Y282 HydrophobicContact CB-CD1 4.1Å; L111-Y282 HydrophobicContact CB-CG 4.23Å; L111-Y282 HydrophobicContact CD1-CD1 4.05Å; L111-Y282 HydrophobicContact CD1-CE1 4.31Å; R112-Y282 WeakPolarHBondContact CD-O 3.5Å; V133-Y282 HydrophobicContact CB-CE2 4.39Å; V133-Y282 PolarHBondContact N-OH 2.82Å; V133-Y282 VanDerWaalsContact N-OH 3.16Å; V133-Y282 WeakPolarHBondContact O-CE2 3.43Å; V133-Y282 PolarHBondContact O-OH 3.04Å; F137-Y282 HydrophobicContact CB-CD2 4.25Å; F137-Y282 HydrophobicContact CB-CE2 4.11Å; F137-Y282 AromaticContact CD1-CD2 3.92Å; F137-Y282 HydrophobicContact CD1-CD2 3.92Å; F137-Y282 HydrophobicContact CD2-CD2 4.49Å; F137-Y282 HydrophobicContact CD2-CE2 4.4Å; F137-Y282 HydrophobicContact CE1-CD2 4.45Å; F137-Y282 VanDerWaalsContact CE1-O 3.27Å; F137-Y282 WeakPolarHBondContact CE1-O 3.39Å; F137-Y282 AromaticContact CG-CD2 3.95Å; F137-Y282 HydrophobicContact CG-CD2 3.95Å; F137-Y282 HydrophobicContact CG-CE2 4.09Å; V141-Y282 HydrophobicContact CG1-CD1 4.15Å; V141-Y282 HydrophobicContact CG1-CD2 4Å; V141-Y282 HydrophobicContact CG1-CE1 3.95Å; V141-Y282 HydrophobicContact CG1-CE2 3.81Å; V141-Y282 HydrophobicContact CG1-CG 4.19Å; V141-Y282 HydrophobicContact CG2-CE2 4.4Å
283Y94.1Very high92.5Very high11 Ų1171.1 Ų71.14%0.04336%0.363CS..THydrogen-bonded Turntrans-96.11-179.652.4-102.8000114.4N107 G131 V133 F137 Y158 D161 H281 S285N107-Y283 HydrophobicContact CB-CE1 4.18Å; G131-Y283 WeakPolarHBondContact O-CE1 3.22Å; G131-Y283 PolarHBondContact O-OH 2.85Å; V133-Y283 HydrophobicContact CB-CD1 3.65Å; V133-Y283 HydrophobicContact CB-CE1 4.28Å; V133-Y283 HydrophobicContact CB-CG 3.9Å; V133-Y283 HydrophobicContact CG2-CD1 3.58Å; V133-Y283 HydrophobicContact CG2-CD2 4.05Å; V133-Y283 HydrophobicContact CG2-CE1 3.85Å; V133-Y283 HydrophobicContact CG2-CE2 4.3Å; V133-Y283 HydrophobicContact CG2-CG 3.68Å; F137-Y283 VanDerWaalsContact CZ-CA 3.46Å; Y158-Y283 WeakPolarHBondContact CD1-OH 3.25Å; D161-Y283 HydrophobicContact CB-CD2 3.86Å; D161-Y283 HydrophobicContact CB-CE2 3.63Å; D161-Y283 WeakPolarHBondContact O-CD2 3.46Å; H281-Y283 HydrophobicContact CB-CD1 4.12Å; H281-Y283 HydrophobicContact CB-CD2 3.96Å; H281-Y283 HydrophobicContact CB-CE1 3.78Å; H281-Y283 HydrophobicContact CB-CE2 3.58Å; H281-Y283 HydrophobicContact CB-CG 4.23Å; H281-Y283 AromaticContact CD2-CZ 3.68Å; H281-Y283 PolarHBondContact CD2-OH 3.13Å; H281-Y283 AromaticContact CG-CE2 3.83Å; H281-Y283 AromaticContact CG-CZ 3.55Å; H281-Y283 PolarHBondContact O-N 3.13Å; Y283-S285 PolarHBondContact O-N 3.37Å; Y283-S285 VanDerWaalsContact O-N 3.15Å
284D92.3Very high91.5Very high0 Ų064.8 Ų64.80%035%0.35CS..  trans-60.8119.4178.9-75.8-31.3000110.7R112 S279 H281 V286R112-D284 PolarHBondContact NH1-O 2.84Å; S279-D284 WeakPolarHBondContact OG-CB 3.09Å; S279-D284 PolarHBondContact OG-OD2 3.43Å; H281-D284 PolarHBondContact N-OD2 3.37Å; H281-D284 IonicContact ND1-OD1 3.27Å; H281-D284 PolarHBondContact O-N 3.04Å; D284-V286 PolarHBondContact O-N 3.45Å
285S90.4Very high90.5Very high98 Ų9865.8 Ų65.869%0.68536%0.355SS*.SBendtrans-63.4-32.5178.256.30000112.6Y283Y283-S285 PolarHBondContact O-N 3.37Å; Y283-S285 VanDerWaalsContact O-N 3.15Å
286V90.8Very high89.9Confident93 Ų9364.6 Ų64.656%0.56435%0.352SS*.SBendtrans-121.9132.3175.2179.30000108.3D284 R288D284-V286 PolarHBondContact O-N 3.45Å; V286-R288 WeakPolarHBondContact O-CG 3.37Å; V286-R288 PolarHBondContact O-N 3.3Å
287P92.3Very high89.6Confident106 Ų10662.2 Ų62.269%0.68833%0.329SS*.  trans-53.9130.5179-2734.9000113S279S279-P287 WeakPolarHBondContact OG-CA 3.28Å
288R93.1Very high89.4Confident108 Ų10860 Ų6041%0.40832%0.316SS..  trans-124.9140.4177.9-64176.8-174.4174.17.3109.7D161 S279 D280 V286D161-R288 IonicContact OD1-CZ 2.89Å; D161-R288 IonicContact OD1-NH1 3.99Å; D161-R288 PolarHBondContact OD1-NH1 2.89Å; D161-R288 IonicContact OD1-NH2 3.75Å; D161-R288 PolarHBondContact OD1-NH2 3.06Å; D161-R288 IonicContact OD2-NH1 3.21Å; S279-R288 CarbonylContact C-O 3.58Å; S279-R288 WeakPolarHBondContact CA-O 3.39Å; S279-R288 PolarHBondContact OG-N 3.23Å; S279-R288 PolarHBondContact OG-O 3.21Å; D280-R288 HydrophobicContact CB-CB 4.2Å; D280-R288 PolarHBondContact N-O 2.61Å; V286-R288 WeakPolarHBondContact O-CG 3.37Å; V286-R288 PolarHBondContact O-N 3.3Å
289P94.1Very high89.2Confident103 Ų10365 Ų6567%0.66934%0.34SS*.PPolyproline II helixtrans-71.7142.1172.630-33.7000110.7R291P289-R291 PolarHBondContact O-N 3.29Å
290L91.4Very high89.1Confident42 Ų4266.8 Ų66.822%0.2235%0.347CS..PPolyproline II helixtrans-58.3125171.2177.163.7000110.2I271 Y275 D280 F292 L298I271-L290 HydrophobicContact CD1-CD2 3.73Å; I271-L290 HydrophobicContact CG1-CD2 4.26Å; Y275-L290 HydrophobicContact CD2-CB 3.94Å; Y275-L290 HydrophobicContact CD2-CD2 3.61Å; Y275-L290 HydrophobicContact CD2-CG 4.39Å; Y275-L290 HydrophobicContact CE2-CB 4.18Å; Y275-L290 HydrophobicContact CE2-CD2 4.08Å; Y275-L290 HydrophobicContact CG-CD2 4.16Å; D280-L290 WeakPolarHBondContact OD1-CD1 3.4Å; L290-F292 HydrophobicContact CD2-CE1 4.32Å; L290-F292 HydrophobicContact CD2-CE2 4.45Å; L290-F292 HydrophobicContact CD2-CZ 3.96Å; L290-F292 HydrophobicContact CG-CE2 4.5Å; L290-F292 HydrophobicContact CG-CZ 4.45Å; L290-L298 HydrophobicContact CD1-CD1 3.95Å; L290-L298 HydrophobicContact CD2-CD1 4.08Å; L290-L298 HydrophobicContact CG-CD1 4.26Å
291R86.8Confident89.1Confident166 Ų16665.3 Ų65.363%0.62634%0.339SS*.PPolyproline II helixtrans-96.3125.5177-67.6-174.4179.5-170.70.7110.8P289 F293P289-R291 PolarHBondContact O-N 3.29Å; R291-F293 HydrophobicContact CB-CD2 4.05Å; R291-F293 HydrophobicContact CB-CE2 3.52Å; R291-F293 HydrophobicContact CB-CZ 3.81Å; R291-F293 HydrophobicContact CG-CZ 4.47Å; R291-F293 WeakPolarHBondContact O-CD2 3.37Å; R291-F293 PolarHBondContact O-N 3.33Å
292F85.7Confident89.1Confident84 Ų8464.8 Ų64.837%0.36834%0.34SS..  trans-86.594.5175.2-64.9-89.3000110I271 Y275 L290 L298 Q299I271-F292 HydrophobicContact CD1-CE1 4.03Å; I271-F292 HydrophobicContact CD1-CZ 4.23Å; Y275-F292 HydrophobicContact CD2-CZ 4.48Å; Y275-F292 HydrophobicContact CE1-CZ 4.09Å; Y275-F292 AromaticContact CE2-CE2 3.8Å; Y275-F292 HydrophobicContact CE2-CE2 3.8Å; Y275-F292 AromaticContact CE2-CZ 3.71Å; Y275-F292 HydrophobicContact CE2-CZ 3.71Å; Y275-F292 AromaticContact CZ-CE2 3.76Å; Y275-F292 AromaticContact CZ-CZ 3.49Å; Y275-F292 VanDerWaalsContact CZ-CZ 3.49Å; Y275-F292 WeakPolarHBondContact OH-CE2 3.02Å; Y275-F292 WeakPolarHBondContact OH-CZ 3.03Å; L290-F292 HydrophobicContact CD2-CE1 4.32Å; L290-F292 HydrophobicContact CD2-CE2 4.45Å; L290-F292 HydrophobicContact CD2-CZ 3.96Å; L290-F292 HydrophobicContact CG-CE2 4.5Å; L290-F292 HydrophobicContact CG-CZ 4.45Å; F292-L298 HydrophobicContact CD1-CB 3.9Å; F292-L298 HydrophobicContact CD1-CD1 4.25Å; F292-L298 HydrophobicContact CD1-CG 4.49Å; F292-L298 HydrophobicContact CE1-CB 3.76Å; F292-L298 HydrophobicContact CE1-CD1 4.4Å; F292-Q299 HydrophobicContact CD1-CG 4.3Å; F292-Q299 HydrophobicContact CE1-CG 3.78Å; F292-Q299 HydrophobicContact CZ-CG 4.42Å
293F78.8Confident89.1Confident122 Ų12266.6 Ų66.654%0.53536%0.359SS..  trans-87.5145.3175.6-64.7-78.3000111R291 N295 H296R291-F293 HydrophobicContact CB-CD2 4.05Å; R291-F293 HydrophobicContact CB-CE2 3.52Å; R291-F293 HydrophobicContact CB-CZ 3.81Å; R291-F293 HydrophobicContact CG-CZ 4.47Å; R291-F293 WeakPolarHBondContact O-CD2 3.37Å; R291-F293 PolarHBondContact O-N 3.33Å; F293-N295 WeakPolarHBondContact CB-OD1 3.32Å; F293-N295 PolarHBondContact O-N 3.29Å; F293-N295 PolarHBondContact O-OD1 3.4Å; F293-H296 PolarHBondContact O-N 2.86Å
294A75.2Confident89.2Confident49 Ų4967.4 Ų67.441%0.40536%0.364SS..THydrogen-bonded Turntrans-64.6-6.2-176.600000115.1A245 H296A245-A294 HydrophobicContact CB-CB 3.97Å; A294-H296 VanDerWaalsContact C-N 3.32Å
295N73.4Confident89.5Confident61 Ų6167.4 Ų67.433%0.32636%0.364SS..THydrogen-bonded Turntrans-77.4-15.3171.963.1-43.4000113.1L248 Y249 M250 F293L248-N295 HydrophobicContact CB-CB 4.4Å; L248-N295 WeakPolarHBondContact O-CA 3.49Å; L248-N295 WeakPolarHBondContact O-CB 3.46Å; Y249-N295 CarbonylContact C-O 3.59Å; Y249-N295 WeakPolarHBondContact CA-O 3.39Å; M250-N295 PolarHBondContact N-O 2.79Å; M250-N295 VanDerWaalsContact O-O 3.07Å; F293-N295 WeakPolarHBondContact CB-OD1 3.32Å; F293-N295 PolarHBondContact O-N 3.29Å; F293-N295 PolarHBondContact O-OD1 3.4Å
296H81.8Confident89.8Confident50 Ų5064.2 Ų64.223%0.23134%0.338CS..  trans-138.5139.6176.4-66.5-78.8000111.6M250 F293 A294 L298 E301M250-H296 PolarHBondContact O-CE1 3.07Å; M250-H296 PolarHBondContact O-ND1 2.48Å; F293-H296 PolarHBondContact O-N 2.86Å; A294-H296 VanDerWaalsContact C-N 3.32Å; H296-L298 HydrophobicContact CB-CD2 3.96Å; H296-L298 HydrophobicContact CB-CG 4.07Å; H296-L298 PolarHBondContact O-N 3.29Å; H296-E301 IonicContact ND1-OE1 3.48Å
297D89.3Confident90Very high29 Ų2960.9 Ų60.916%0.15532%0.321CS..  trans-97.175.9168.9-168.1-24.8000109.4S237 L239 Y249 Q299 M300 E301S237-D297 WeakPolarHBondContact CB-OD2 2.83Å; S237-D297 WeakPolarHBondContact OG-CB 2.9Å; S237-D297 PolarHBondContact OG-OD2 3.16Å; L239-D297 HydrophobicContact CD1-CB 4.22Å; Y249-D297 HydrophobicContact CE2-CB 3.9Å; D297-Q299 PolarHBondContact O-N 2.88Å; D297-M300 HydrophobicContact CB-CB 4.02Å; D297-M300 VanDerWaalsContact CG-CB 3.41Å; D297-M300 PolarHBondContact O-N 3.4Å; D297-M300 WeakPolarHBondContact OD1-CB 3.25Å; D297-M300 PolarHBondContact OD1-N 3.45Å; D297-E301 WeakPolarHBondContact O-CG 3.39Å; D297-E301 PolarHBondContact O-N 2.94Å
298L90.7Very high90.2Very high30 Ų3055.9 Ų55.916%0.15729%0.288CS..Hα-helixtrans-63.6-25.4-174.2-63.7176.7000112.6I271 L290 F292 H296 G302I271-L298 HydrophobicContact CD1-CB 3.85Å; I271-L298 WeakPolarHBondContact CG2-O 3.48Å; L290-L298 HydrophobicContact CD1-CD1 3.95Å; L290-L298 HydrophobicContact CD2-CD1 4.08Å; L290-L298 HydrophobicContact CG-CD1 4.26Å; F292-L298 HydrophobicContact CD1-CB 3.9Å; F292-L298 HydrophobicContact CD1-CD1 4.25Å; F292-L298 HydrophobicContact CD1-CG 4.49Å; F292-L298 HydrophobicContact CE1-CB 3.76Å; F292-L298 HydrophobicContact CE1-CD1 4.4Å; H296-L298 HydrophobicContact CB-CD2 3.96Å; H296-L298 HydrophobicContact CB-CG 4.07Å; H296-L298 PolarHBondContact O-N 3.29Å; L298-G302 PolarHBondContact O-N 3.4Å
299Q91.9Very high90.4Very high134 Ų13453.8 Ų53.863%0.62628%0.283SS*.Hα-helixtrans-71-46.8176-66.4-173.4-7.600111.1F292 D297 E301 G302 G303F292-Q299 HydrophobicContact CD1-CG 4.3Å; F292-Q299 HydrophobicContact CE1-CG 3.78Å; F292-Q299 HydrophobicContact CZ-CG 4.42Å; D297-Q299 PolarHBondContact O-N 2.88Å; Q299-E301 VanDerWaalsContact C-N 3.3Å; Q299-E301 PolarHBondContact O-N 2.93Å; Q299-G302 PolarHBondContact O-N 2.9Å; Q299-G303 PolarHBondContact O-N 3.16Å
300M93.4Very high90.5Very high59 Ų5956.7 Ų56.729%0.29128%0.28SS..Hα-helixtrans-59.3-43.6173.2-179.7173.3-66.400111.4L235 T236 D297 G303 L304L235-M300 HydrophobicContact CD2-CG 3.91Å; L235-M300 HydrophobicContact CD2-SD 4.42Å; T236-M300 WeakPolarHBondContact O-CE 3.16Å; D297-M300 HydrophobicContact CB-CB 4.02Å; D297-M300 VanDerWaalsContact CG-CB 3.41Å; D297-M300 PolarHBondContact O-N 3.4Å; D297-M300 WeakPolarHBondContact OD1-CB 3.25Å; D297-M300 PolarHBondContact OD1-N 3.45Å; M300-G303 PolarHBondContact O-N 3.23Å; M300-L304 PolarHBondContact O-N 2.7Å
301E94.9Very high90.7Very high2 Ų259.6 Ų59.61%0.00929%0.288CS..Hα-helixtrans-60-49.2175.8-73-172.1-165.100112L235 P251 S252 H296 D297 Q299 G303 L304 W305L235-E301 HydrophobicContact CD1-CG 3.92Å; L235-E301 HydrophobicContact CD2-CB 4.48Å; L235-E301 HydrophobicContact CD2-CG 3.84Å; P251-E301 WeakPolarHBondContact CA-OE1 3.48Å; S252-E301 WeakPolarHBondContact CB-OE2 3.41Å; S252-E301 PolarHBondContact N-OE1 3.16Å; S252-E301 PolarHBondContact OG-OE1 2.66Å; S252-E301 PolarHBondContact OG-OE2 3.04Å; H296-E301 IonicContact ND1-OE1 3.48Å; D297-E301 WeakPolarHBondContact O-CG 3.39Å; D297-E301 PolarHBondContact O-N 2.94Å; Q299-E301 VanDerWaalsContact C-N 3.3Å; Q299-E301 PolarHBondContact O-N 2.93Å; E301-G303 VanDerWaalsContact C-N 3.29Å; E301-G303 PolarHBondContact O-N 3.31Å; E301-L304 WeakPolarHBondContact O-CA 2.89Å; E301-L304 WeakPolarHBondContact O-CB 3.35Å; E301-L304 PolarHBondContact O-N 3.34Å; E301-W305 HydrophobicContact CB-CZ2 3.87Å; E301-W305 HydrophobicContact CG-CZ2 4.08Å; E301-W305 VanDerWaalsContact O-CD2 3.31Å; E301-W305 PolarHBondContact O-N 3.08Å; E301-W305 PolarHBondContact O-NE1 2.94Å
302G95.2Very high91Very high13 Ų1354.3 Ų54.313%0.13429%0.286CS..Hα-helixtrans-56.3-42.2176.200000113.1L298 Q299 L304 W305 E306L298-G302 PolarHBondContact O-N 3.4Å; Q299-G302 PolarHBondContact O-N 2.9Å; G302-L304 PolarHBondContact O-N 2.94Å; G302-W305 PolarHBondContact O-N 3.37Å; G302-E306 PolarHBondContact O-N 2.86Å
303G96.3Very high91.5Very high38 Ų3850.5 Ų50.539%0.39227%0.269SS..Hα-helixtrans-60.9-4217400000112.9Q299 M300 E301 A307Q299-G303 PolarHBondContact O-N 3.16Å; M300-G303 PolarHBondContact O-N 3.23Å; E301-G303 VanDerWaalsContact C-N 3.29Å; E301-G303 PolarHBondContact O-N 3.31Å; G303-A307 VanDerWaalsContact O-CB 3.31Å; G303-A307 WeakPolarHBondContact O-CB 3.43Å; G303-A307 PolarHBondContact O-N 3.48Å
304L95.8Very high92.3Very high28 Ų2844.9 Ų44.915%0.14724%0.244CC..Hα-helixtrans-64.5-47175.4179.261.7000111.6L234 L235 L256 M300 E301 G302 E306 A307 L308L234-L304 HydrophobicContact CB-CD2 4.26Å; L235-L304 HydrophobicContact CD1-CD2 4.42Å; L235-L304 HydrophobicContact CD2-CB 4.23Å; L235-L304 HydrophobicContact CD2-CD2 3.66Å; L235-L304 HydrophobicContact CG-CD2 3.92Å; L256-L304 HydrophobicContact CD2-CD2 4.46Å; M300-L304 PolarHBondContact O-N 2.7Å; E301-L304 WeakPolarHBondContact O-CA 2.89Å; E301-L304 WeakPolarHBondContact O-CB 3.35Å; E301-L304 PolarHBondContact O-N 3.34Å; G302-L304 PolarHBondContact O-N 2.94Å; L304-E306 VanDerWaalsContact C-N 3.3Å; L304-E306 PolarHBondContact O-N 3.29Å; L304-A307 PolarHBondContact O-N 3.49Å; L304-A307 VanDerWaalsContact O-N 3.16Å; L304-L308 HydrophobicContact CD1-CD1 4.11Å; L304-L308 HydrophobicContact CD1-CD2 4.35Å; L304-L308 HydrophobicContact CD1-CG 3.97Å; L304-L308 HydrophobicContact CG-CD1 4.05Å; L304-L308 HydrophobicContact CG-CG 4.3Å; L304-L308 WeakPolarHBondContact O-CG 3.46Å; L304-L308 PolarHBondContact O-N 3.19Å
305W97.3Very high93.4Very high0 Ų048.2 Ų48.20%025%0.247CC..Hα-helixtrans-58.7-44.2179.9-50.3143.7000111.6L255 L256 F270 E301 G302 L308 H309 L314 L316L255-W305 HydrophobicContact CB-CH2 4.35Å; L255-W305 HydrophobicContact CD2-CD2 3.62Å; L255-W305 HydrophobicContact CD2-CE3 3.47Å; L255-W305 VanDerWaalsContact CD2-CE3 3.47Å; L255-W305 HydrophobicContact CD2-CG 4.39Å; L255-W305 HydrophobicContact CD2-CH2 3.84Å; L255-W305 HydrophobicContact CD2-CZ2 3.96Å; L255-W305 HydrophobicContact CD2-CZ3 3.58Å; L255-W305 HydrophobicContact CG-CE3 4.33Å; L255-W305 HydrophobicContact CG-CH2 4.27Å; L255-W305 HydrophobicContact CG-CZ3 4.02Å; L256-W305 HydrophobicContact CD1-CH2 4.24Å; L256-W305 HydrophobicContact CD2-CH2 4.27Å; L256-W305 HydrophobicContact CD2-CZ3 4.06Å; L256-W305 HydrophobicContact CG-CH2 3.99Å; L256-W305 HydrophobicContact CG-CZ3 4.26Å; F270-W305 AromaticContact CD1-NE1 3.88Å; E301-W305 HydrophobicContact CB-CZ2 3.87Å; E301-W305 HydrophobicContact CG-CZ2 4.08Å; E301-W305 VanDerWaalsContact O-CD2 3.31Å; E301-W305 PolarHBondContact O-N 3.08Å; E301-W305 PolarHBondContact O-NE1 2.94Å; G302-W305 PolarHBondContact O-N 3.37Å; W305-L308 HydrophobicContact CE3-CD1 4.31Å; W305-L308 HydrophobicContact CZ3-CD1 4.48Å; W305-L308 PolarHBondContact O-N 2.75Å; W305-H309 VanDerWaalsContact O-CB 3.29Å; W305-H309 WeakPolarHBondContact O-CB 3.41Å; W305-H309 PolarHBondContact O-N 2.93Å; W305-L314 HydrophobicContact CB-CD2 4.29Å; W305-L314 HydrophobicContact CE3-CD2 4.38Å; W305-L316 HydrophobicContact CB-CD1 4.29Å; W305-L316 HydrophobicContact CB-CD2 3.92Å
306E97.1Very high94.6Very high31 Ų3145.9 Ų45.915%0.14523%0.234CC..Hα-helixtrans-67.3-38.3177.3-171.2-179.9-15400112.4R273 G302 L304 H309 R310R273-E306 VanDerWaalsContact CZ-CD 3.44Å; R273-E306 IonicContact CZ-OE1 2.82Å; R273-E306 IonicContact CZ-OE2 2.81Å; R273-E306 IonicContact NE-OE1 3.93Å; R273-E306 PolarHBondContact NE-OE1 2.87Å; R273-E306 IonicContact NE-OE2 2.91Å; R273-E306 PolarHBondContact NE-OE2 3.31Å; R273-E306 IonicContact NH1-OE1 2.69Å; R273-E306 IonicContact NH2-OE1 3.81Å; R273-E306 PolarHBondContact NH2-OE1 3.11Å; R273-E306 IonicContact NH2-OE2 3.71Å; R273-E306 PolarHBondContact NH2-OE2 2.79Å; G302-E306 PolarHBondContact O-N 2.86Å; L304-E306 VanDerWaalsContact C-N 3.3Å; L304-E306 PolarHBondContact O-N 3.29Å; E306-H309 PolarHBondContact O-N 3.39Å; E306-R310 WeakPolarHBondContact O-CG 3.41Å; E306-R310 PolarHBondContact O-N 3.05Å; E306-R310 PolarHBondContact O-NE 2.64Å; E306-R310 IonicContact OE2-NH2 2.89Å
307A96.1Very high95.3Very high24 Ų2445 Ų4520%0.19823%0.229CC..Hα-helixtrans-66.3-39.8176.900000112.6G303 L304 R311G303-A307 VanDerWaalsContact O-CB 3.31Å; G303-A307 WeakPolarHBondContact O-CB 3.43Å; G303-A307 PolarHBondContact O-N 3.48Å; L304-A307 PolarHBondContact O-N 3.49Å; L304-A307 VanDerWaalsContact O-N 3.16Å; A307-R311 WeakPolarHBondContact O-CG 3.35Å; A307-R311 PolarHBondContact O-N 3.25Å; A307-R311 PolarHBondContact O-NH1 2.99Å
308L96.6Very high95.7Very high1 Ų147.3 Ų47.31%0.00524%0.24CC..Hα-helixtrans-69.2-35.9174.1-66.2179.5000111.5L26 F30 L259 L304 W305 R311 G312 V313 L314L26-L308 HydrophobicContact CD2-CD2 3.82Å; F30-L308 HydrophobicContact CE2-CD2 4.09Å; F30-L308 HydrophobicContact CZ-CD1 4.36Å; F30-L308 HydrophobicContact CZ-CD2 4.16Å; L259-L308 HydrophobicContact CD1-CD1 3.77Å; L304-L308 HydrophobicContact CD1-CD1 4.11Å; L304-L308 HydrophobicContact CD1-CD2 4.35Å; L304-L308 HydrophobicContact CD1-CG 3.97Å; L304-L308 HydrophobicContact CG-CD1 4.05Å; L304-L308 HydrophobicContact CG-CG 4.3Å; L304-L308 WeakPolarHBondContact O-CG 3.46Å; L304-L308 PolarHBondContact O-N 3.19Å; W305-L308 HydrophobicContact CE3-CD1 4.31Å; W305-L308 HydrophobicContact CZ3-CD1 4.48Å; W305-L308 PolarHBondContact O-N 2.75Å; L308-R311 PolarHBondContact O-N 2.85Å; L308-G312 PolarHBondContact O-N 2.97Å; L308-V313 HydrophobicContact CB-CB 4.26Å; L308-V313 HydrophobicContact CB-CG1 4.38Å; L308-V313 HydrophobicContact CD2-CB 4.28Å; L308-V313 HydrophobicContact CD2-CG1 4.05Å; L308-V313 PolarHBondContact O-N 2.91Å; L308-L314 HydrophobicContact CB-CB 3.91Å; L308-L314 HydrophobicContact CB-CD2 4.49Å; L308-L314 PolarHBondContact O-N 3.39Å
309H96.8Very high95.9Very high64 Ų6448.9 Ų48.930%0.29624%0.243SC..Hα-helixtrans-63.7-49176.4-179.255.9000112.7W305 E306 R311 G312 L314 L316 Q318W305-H309 VanDerWaalsContact O-CB 3.29Å; W305-H309 WeakPolarHBondContact O-CB 3.41Å; W305-H309 PolarHBondContact O-N 2.93Å; E306-H309 PolarHBondContact O-N 3.39Å; H309-R311 PolarHBondContact O-N 3.12Å; H309-G312 PolarHBondContact O-N 2.99Å; H309-L314 VanDerWaalsContact CA-O 3.24Å; H309-L314 WeakPolarHBondContact CA-O 3.48Å; H309-L314 PolarHBondContact ND1-O 2.69Å; H309-L316 HydrophobicContact CB-CB 3.89Å; H309-L316 PolarHBondContact ND1-N 3.2Å; H309-Q318 PolarHBondContact CD2-NE2 2.89Å; H309-Q318 VanDerWaalsContact CD2-NE2 3.27Å; H309-Q318 PolarHBondContact NE2-NE2 3.37Å
310R96.1Very high95.8Very high164 Ų16445 Ų4562%0.61924%0.239SC*.Hα-helixtrans-60.9-25.6177.3-76.9-177.2-80.5163.2-10.8113.7E306E306-R310 WeakPolarHBondContact O-CG 3.41Å; E306-R310 PolarHBondContact O-N 3.05Å; E306-R310 PolarHBondContact O-NE 2.64Å; E306-R310 IonicContact OE2-NH2 2.89Å
311R95Very high95Very high103 Ų10351.4 Ų51.439%0.38926%0.26SS..THydrogen-bonded Turntrans-88.8-0.6177.4-71.9174.6170.675.30.8113.9V19 D23 L26 A307 L308 H309 V313V19-R311 WeakPolarHBondContact CG1-O 3.35Å; D23-R311 WeakPolarHBondContact OD2-CD 3.43Å; D23-R311 IonicContact OD2-NE 3.6Å; D23-R311 PolarHBondContact OD2-NE 3.45Å; L26-R311 HydrophobicContact CD1-CB 4.38Å; A307-R311 WeakPolarHBondContact O-CG 3.35Å; A307-R311 PolarHBondContact O-N 3.25Å; A307-R311 PolarHBondContact O-NH1 2.99Å; L308-R311 PolarHBondContact O-N 2.85Å; H309-R311 PolarHBondContact O-N 3.12Å; R311-V313 HydrophobicContact CB-CG2 4.29Å; R311-V313 PolarHBondContact O-N 2.75Å
312G94.1Very high93.4Very high55 Ų5553.9 Ų53.957%0.56729%0.286SS*.THydrogen-bonded Turntrans73.311.7-17800000114.7L308 H309L308-G312 PolarHBondContact O-N 2.97Å; H309-G312 PolarHBondContact O-N 2.99Å
313V95.1Very high91Very high4 Ų465.3 Ų65.32%0.02433%0.325CS..SBendtrans-77.8-36.2176.6169.60000111.7L16 V19 M20 L26 L259 L308 R311L16-V313 HydrophobicContact CB-CG1 4.31Å; V19-V313 HydrophobicContact CB-CG2 4.3Å; V19-V313 HydrophobicContact CG1-CG2 3.7Å; M20-V313 HydrophobicContact CE-CG1 3.35Å; M20-V313 HydrophobicContact CE-CG2 4.38Å; M20-V313 HydrophobicContact CG-CG2 4.05Å; L26-V313 HydrophobicContact CD1-CG2 3.6Å; L259-V313 HydrophobicContact CD2-CG1 4.01Å; L308-V313 HydrophobicContact CB-CB 4.26Å; L308-V313 HydrophobicContact CB-CG1 4.38Å; L308-V313 HydrophobicContact CD2-CB 4.28Å; L308-V313 HydrophobicContact CD2-CG1 4.05Å; L308-V313 PolarHBondContact O-N 2.91Å; R311-V313 HydrophobicContact CB-CG2 4.29Å; R311-V313 PolarHBondContact O-N 2.75Å
314L96.2Very high88.3Confident3 Ų370.6 Ų70.62%0.01638%0.38CS..  trans-129.7139.5-175.5174.167.1000110L255 L259 V265 A267 W305 L308 H309L255-L314 HydrophobicContact CD1-CD1 4.03Å; L255-L314 HydrophobicContact CD2-CD2 4.26Å; L259-L314 HydrophobicContact CD2-CD1 4.48Å; V265-L314 HydrophobicContact CB-CD1 4.02Å; V265-L314 HydrophobicContact CG1-CD1 3.67Å; A267-L314 HydrophobicContact CB-CD1 3.81Å; A267-L314 HydrophobicContact CB-CD2 4.11Å; A267-L314 HydrophobicContact CB-CG 4.29Å; W305-L314 HydrophobicContact CB-CD2 4.29Å; W305-L314 HydrophobicContact CE3-CD2 4.38Å; L308-L314 HydrophobicContact CB-CB 3.91Å; L308-L314 HydrophobicContact CB-CD2 4.49Å; L308-L314 PolarHBondContact O-N 3.39Å; H309-L314 VanDerWaalsContact CA-O 3.24Å; H309-L314 WeakPolarHBondContact CA-O 3.48Å; H309-L314 PolarHBondContact ND1-O 2.69Å
315R97.9Very high87.9Confident119 Ų11972.8 Ų72.845%0.44939%0.391SS..EExtended strand (participates in β ladder)trans-94.4100.3165.4-62.9-178.7-165.2-165.31109V265 S266 A267V265-R315 PolarHBondContact O-N 3.26Å; S266-R315 CarbonylContact C-O 3.17Å; S266-R315 VanDerWaalsContact CA-O 3.24Å; S266-R315 WeakPolarHBondContact CA-O 3.5Å; A267-R315 PolarHBondContact N-O 3.05Å
316L98.4Very high87.4Confident12 Ų1276.6 Ų76.66%0.06341%0.412CS..EExtended strand (participates in β ladder)trans-86.8121.3177.3-178.362.8000109.4A267 F270 T272 W305 H309 Q318A267-L316 HydrophobicContact CB-CD1 3.91Å; F270-L316 HydrophobicContact CB-CD1 4.11Å; T272-L316 HydrophobicContact CG2-CD2 4.35Å; T272-L316 HydrophobicContact CG2-CG 4.5Å; W305-L316 HydrophobicContact CB-CD1 4.29Å; W305-L316 HydrophobicContact CB-CD2 3.92Å; H309-L316 HydrophobicContact CB-CB 3.89Å; H309-L316 PolarHBondContact ND1-N 3.2Å; L316-Q318 HydrophobicContact CD2-CG 4.2Å; L316-Q318 HydrophobicContact CG-CG 4.02Å; L316-Q318 PolarHBondContact O-N 3.32Å
317F98.3Very high86.8Confident31 Ų3179.1 Ų79.114%0.13643%0.427CS..  trans-67.4124171.5177.4-106.7000109.8I110 L111 A114 Q116 A267 Y268 R319I110-F317 HydrophobicContact CG1-CD1 4.4Å; I110-F317 HydrophobicContact CG1-CE1 4.09Å; L111-F317 HydrophobicContact CD2-CD1 4.02Å; L111-F317 HydrophobicContact CD2-CE1 4.16Å; A114-F317 HydrophobicContact CB-CE1 4.01Å; A114-F317 HydrophobicContact CB-CZ 3.84Å; Q116-F317 HydrophobicContact CG-CD2 3.95Å; Q116-F317 HydrophobicContact CG-CE1 4.16Å; Q116-F317 HydrophobicContact CG-CE2 3.5Å; Q116-F317 HydrophobicContact CG-CG 4.46Å; Q116-F317 HydrophobicContact CG-CZ 3.62Å; A267-F317 WeakPolarHBondContact O-CB 3.46Å; A267-F317 PolarHBondContact O-N 3.32Å; Y268-F317 HydrophobicContact CD1-CB 3.72Å; Y268-F317 HydrophobicContact CD1-CD2 4.39Å; Y268-F317 AromaticContact CD1-CG 3.98Å; Y268-F317 HydrophobicContact CD1-CG 3.98Å; Y268-F317 HydrophobicContact CE1-CB 4.14Å; Y268-F317 HydrophobicContact CE1-CD2 4.39Å; Y268-F317 HydrophobicContact CE1-CG 4.38Å; Y268-F317 HydrophobicContact CG-CB 4.37Å; F317-R319 HydrophobicContact CE1-CG 4.09Å; F317-R319 HydrophobicContact CZ-CB 4.23Å; F317-R319 HydrophobicContact CZ-CG 4.03Å
318Q97.3Very high86.3Confident79 Ų7982.4 Ų82.437%0.36944%0.44SS..  trans-135.8143.5179.2-60.9178.788.800108.1T272 H309 L316T272-Q318 HydrophobicContact CG2-CG 3.95Å; H309-Q318 PolarHBondContact CD2-NE2 2.89Å; H309-Q318 VanDerWaalsContact CD2-NE2 3.27Å; H309-Q318 PolarHBondContact NE2-NE2 3.37Å; L316-Q318 HydrophobicContact CD2-CG 4.2Å; L316-Q318 HydrophobicContact CG-CG 4.02Å; L316-Q318 PolarHBondContact O-N 3.32Å
319R94.7Very high85.7Confident62 Ų6287.4 Ų87.423%0.23447%0.468CS..  trans-151.4154.7170.663.6167.6-176.6147.76110.8I110 R112 G113 N274 F278 F317I110-R319 HydrophobicContact CD1-CG 4.19Å; I110-R319 HydrophobicContact CG1-CG 3.81Å; I110-R319 PolarHBondContact O-NE 2.81Å; I110-R319 PolarHBondContact O-NH2 3.06Å; R112-R319 PolarHBondContact O-NH2 3.46Å; G113-R319 PolarHBondContact O-NH1 2.96Å; N274-R319 PolarHBondContact ND2-O 3.11Å; F278-R319 HydrophobicContact CE1-CG 4.48Å; F278-R319 HydrophobicContact CZ-CG 4.09Å; F317-R319 HydrophobicContact CE1-CG 4.09Å; F317-R319 HydrophobicContact CZ-CB 4.23Å; F317-R319 HydrophobicContact CZ-CG 4.03Å
320G88.9Confident84.9Confident52 Ų5289 Ų8954%0.53648%0.479SS..PPolyproline II helixtrans-75.3168.6164.500000111.2G322G320-G322 PolarHBondContact O-N 3.15Å
321R76.7Confident84.1Confident195 Ų19583.6 Ų83.674%0.73647%0.469SS*.PPolyproline II helixtrans-60.8121167.1-165.8173.6179.2-179.60.1108.2R323R321-R323 PolarHBondContact O-N 3.13Å
322G62.4Low83.3Confident54 Ų5482.2 Ų82.256%0.55748%0.475SS*.PPolyproline II helixtrans-55.5129.4170.500000108.4G320 G324G320-G322 PolarHBondContact O-N 3.15Å; G322-G324 PolarHBondContact O-N 3.33Å
323R45.1Very low82.4Confident253 Ų25384.4 Ų84.496%0.95547%0.468SS*.  trans-64.7107.1165.4-70.2-176.3179.8-176.8-0.5105.2R321R321-R323 PolarHBondContact O-N 3.13Å
324G37.8Very low81.2Confident149 Ų14991.7 Ų91.7100%1.53651%0.508SS*.  trans-640169.800000111G322G322-G324 PolarHBondContact O-N 3.33Å

Retrieved 324 of 324 residues in 105.5 ms (Link to these results)