A0A096MK19_RAT Loading...

Decapping mRNA 2

AlphaFold DB (M0RBQ1), UniProt , Accession A0A096MK19, Species RAT (Rattus norvegicus, Rat), Gene Dcp2, Length 421 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.7Very low67Low242 Ų242128.8 Ų128.8100%1.19266%0.656SS**  0119.20-72.7-178.5-91.600106.7T3M1-T3 PolarHBondContact O-N 3.05Å
2E36.7Very low69.1Low195 Ų195119.1 Ų119.191%0.91161%0.607SS**  trans-74.3123.1170.1-69.6166.5121.700107.8K4E2-K4 VanDerWaalsContact C-N 3.28Å; E2-K4 PolarHBondContact O-N 3.06Å
3T43.9Very low70.9Confident132 Ų132110.5 Ų110.581%0.8156%0.564SS**  trans-7189.8170.633.50000108M1 R5M1-T3 PolarHBondContact O-N 3.05Å; T3-R5 PolarHBondContact O-N 3.34Å
4K50.1Low72.4Confident182 Ų182109.1 Ų109.179%0.79156%0.558SS**  trans-50.8108.7173.6-175.3178.3-177.8-178.80108E2 L6E2-K4 VanDerWaalsContact C-N 3.28Å; E2-K4 PolarHBondContact O-N 3.06Å; K4-L6 PolarHBondContact O-N 3.27Å
5R59.1Low73.8Confident190 Ų190104.1 Ų104.172%0.71753%0.533SS*.PPolyproline II helixtrans-58.7134.2179.8-71-176.6174.7-161.5-3107.8T3 E7 D64T3-R5 PolarHBondContact O-N 3.34Å; R5-E7 PolarHBondContact O-N 2.9Å; R5-D64 IonicContact NH1-OD2 2.61Å
6L69.1Low75Confident130 Ų13097.6 Ų97.668%0.68150%0.5SS*.PPolyproline II helixtrans-67.6116172.4-74.7166.4000107.4K4 P58K4-L6 PolarHBondContact O-N 3.27Å; L6-P58 HydrophobicContact CB-CB 3.9Å; L6-P58 HydrophobicContact CB-CG 4.38Å; L6-P58 VanDerWaalsContact O-CB 3.25Å; L6-P58 WeakPolarHBondContact O-CB 3.46Å; L6-P58 VanDerWaalsContact O-CG 3.32Å; L6-P58 WeakPolarHBondContact O-CG 3.19Å
7E83.3Confident76Confident151 Ų15192 Ų9271%0.70647%0.471SS*.PPolyproline II helixtrans-86.7153.5178.4-71.9163.3177.700110.1R5R5-E7 PolarHBondContact O-N 2.9Å
8I89Confident76.9Confident20 Ų2089.3 Ų89.310%0.10346%0.462CS..PPolyproline II helixtrans-73127.3174.9-54.4173.9000107.7G10 V12 L13 Y46 P58 F65 A68I8-G10 PolarHBondContact O-N 2.82Å; I8-V12 HydrophobicContact CG2-CB 4.1Å; I8-V12 HydrophobicContact CG2-CG1 4.06Å; I8-L13 HydrophobicContact CB-CD1 4.36Å; I8-L13 HydrophobicContact CB-CD2 4.12Å; I8-L13 HydrophobicContact CB-CG 4.23Å; I8-L13 HydrophobicContact CD1-CD2 4.18Å; I8-L13 HydrophobicContact CG2-CD2 3.74Å; I8-L13 HydrophobicContact CG2-CG 3.88Å; I8-Y46 HydrophobicContact CG2-CE2 3.91Å; I8-P58 HydrophobicContact CG1-CG 3.97Å; I8-F65 HydrophobicContact CD1-CD2 3.57Å; I8-F65 HydrophobicContact CD1-CE2 4.04Å; I8-A68 HydrophobicContact CD1-CB 4.21Å
9P90.5Very high77.6Confident56 Ų5690.1 Ų90.136%0.36446%0.458SS..PPolyproline II helixtrans-59.3134.8179.5-24.434.3000111.8S11 V12 L13 L57P9-S11 PolarHBondContact O-N 2.97Å; P9-S11 VanDerWaalsContact O-N 3.12Å; P9-V12 HydrophobicContact CB-CG2 4.26Å; P9-V12 HydrophobicContact CG-CG2 4.47Å; P9-V12 WeakPolarHBondContact O-CA 3.31Å; P9-V12 WeakPolarHBondContact O-CB 3.41Å; P9-V12 PolarHBondContact O-N 3.26Å; P9-L13 PolarHBondContact O-N 3.32Å; P9-L57 VanDerWaalsContact CD-CD2 3.45Å; P9-L57 HydrophobicContact CG-CD2 3.81Å
10G90.1Very high78.3Confident32 Ų3287 Ų8733%0.3344%0.441SS..Hα-helixtrans-53.1-37.5-176.800000113.7I8 V12 L13 D14 H72I8-G10 PolarHBondContact O-N 2.82Å; G10-V12 PolarHBondContact O-N 3.39Å; G10-L13 CarbonylContact O-C 3.58Å; G10-L13 WeakPolarHBondContact O-CA 3.37Å; G10-L13 WeakPolarHBondContact O-CB 3.34Å; G10-L13 PolarHBondContact O-N 3.11Å; G10-D14 PolarHBondContact O-N 2.88Å; G10-H72 PolarHBondContact O-CE1 3Å
11S91.4Very high78.8Confident87 Ų8783 Ų8361%0.60842%0.421SS*.Hα-helixtrans-65.1-22176.655.30000114.9P9 D15P9-S11 PolarHBondContact O-N 2.97Å; P9-S11 VanDerWaalsContact O-N 3.12Å; S11-D15 PolarHBondContact O-N 2.84Å
12V91.9Very high81.3Confident12 Ų1275.6 Ų75.67%0.07339%0.386CS..Hα-helixtrans-79.8-37.8171177.30000110I8 P9 G10 L16 Y46 Y50I8-V12 HydrophobicContact CG2-CB 4.1Å; I8-V12 HydrophobicContact CG2-CG1 4.06Å; P9-V12 HydrophobicContact CB-CG2 4.26Å; P9-V12 HydrophobicContact CG-CG2 4.47Å; P9-V12 WeakPolarHBondContact O-CA 3.31Å; P9-V12 WeakPolarHBondContact O-CB 3.41Å; P9-V12 PolarHBondContact O-N 3.26Å; G10-V12 PolarHBondContact O-N 3.39Å; V12-L16 HydrophobicContact CG1-CD1 3.79Å; V12-L16 HydrophobicContact CG1-CG 4.47Å; V12-L16 WeakPolarHBondContact O-CB 3.39Å; V12-L16 WeakPolarHBondContact O-CD1 3.25Å; V12-L16 WeakPolarHBondContact O-CG 3.46Å; V12-L16 PolarHBondContact O-N 3.38Å; V12-Y46 HydrophobicContact CG1-CD2 3.94Å; V12-Y46 HydrophobicContact CG1-CE2 4.05Å; V12-Y50 HydrophobicContact CB-CD1 4.48Å; V12-Y50 HydrophobicContact CB-CE1 4.31Å; V12-Y50 HydrophobicContact CG1-CD1 3.72Å; V12-Y50 HydrophobicContact CG1-CD2 3.94Å; V12-Y50 HydrophobicContact CG1-CE1 3.84Å; V12-Y50 HydrophobicContact CG1-CE2 4.05Å; V12-Y50 HydrophobicContact CG1-CG 3.78Å; V12-Y50 HydrophobicContact CG2-CD1 3.97Å; V12-Y50 HydrophobicContact CG2-CE1 3.82Å
13L93.4Very high83.6Confident8 Ų873.1 Ų73.14%0.04237%0.374CS..Hα-helixtrans-68.4-39.1174.2-60.8177.3000111.6I8 P9 G10 D15 L16 C17 A68 V69 H72I8-L13 HydrophobicContact CB-CD1 4.36Å; I8-L13 HydrophobicContact CB-CD2 4.12Å; I8-L13 HydrophobicContact CB-CG 4.23Å; I8-L13 HydrophobicContact CD1-CD2 4.18Å; I8-L13 HydrophobicContact CG2-CD2 3.74Å; I8-L13 HydrophobicContact CG2-CG 3.88Å; P9-L13 PolarHBondContact O-N 3.32Å; G10-L13 CarbonylContact O-C 3.58Å; G10-L13 WeakPolarHBondContact O-CA 3.37Å; G10-L13 WeakPolarHBondContact O-CB 3.34Å; G10-L13 PolarHBondContact O-N 3.11Å; L13-D15 PolarHBondContact O-N 3.32Å; L13-L16 PolarHBondContact O-N 3.04Å; L13-C17 WeakPolarHBondContact O-CB 3.25Å; L13-C17 PolarHBondContact O-N 2.68Å; L13-C17 PolarHBondContact O-SG 3.25Å; L13-A68 HydrophobicContact CD1-CB 4.28Å; L13-V69 HydrophobicContact CD2-CG2 4.1Å; L13-H72 HydrophobicContact CB-CB 4.18Å; L13-H72 HydrophobicContact CD1-CB 3.73Å
14D92.2Very high85.6Confident91 Ų9167.4 Ų67.449%0.48734%0.339SS..Hα-helixtrans-56.2-50.4173.3-71.9-42.3000111.8G10 S18 H72G10-D14 PolarHBondContact O-N 2.88Å; D14-S18 VanDerWaalsContact O-CB 3.28Å; D14-S18 WeakPolarHBondContact O-CB 3.34Å; D14-S18 PolarHBondContact O-N 3.2Å; D14-S18 PolarHBondContact O-OG 2.94Å; D14-H72 IonicContact OD1-CD2 3.2Å; D14-H72 IonicContact OD1-CE1 2.73Å; D14-H72 PolarHBondContact OD1-CE1 3.19Å; D14-H72 IonicContact OD1-NE2 2.69Å; D14-H72 PolarHBondContact OD1-NE2 2.78Å; D14-H72 IonicContact OD2-NE2 3.2Å
15D92.9Very high87.4Confident34 Ų3461.6 Ų61.618%0.18232%0.319CS..Hα-helixtrans-60.6-50.9177.6178.690.9000111.3S11 L13 S18 R19 Y50S11-D15 PolarHBondContact O-N 2.84Å; L13-D15 PolarHBondContact O-N 3.32Å; D15-S18 PolarHBondContact O-N 2.72Å; D15-S18 PolarHBondContact O-OG 3.41Å; D15-R19 VanDerWaalsContact CG-NE 3.3Å; D15-R19 WeakPolarHBondContact O-CG 3.44Å; D15-R19 PolarHBondContact O-N 3.14Å; D15-R19 IonicContact OD1-CZ 2.64Å; D15-R19 IonicContact OD1-NE 3.51Å; D15-R19 PolarHBondContact OD1-NE 2.67Å; D15-R19 IonicContact OD1-NH2 2.85Å; D15-R19 PolarHBondContact OD1-NH2 3.05Å; D15-R19 WeakPolarHBondContact OD2-CD 3.38Å; D15-R19 IonicContact OD2-CZ 2.89Å; D15-R19 IonicContact OD2-NE 3.79Å; D15-R19 PolarHBondContact OD2-NE 3.42Å; D15-R19 IonicContact OD2-NH2 3.19Å; D15-Y50 WeakPolarHBondContact CB-OH 3.45Å; D15-Y50 PolarHBondContact OD2-OH 2.99Å
16L92.8Very high88.6Confident0 Ų055.5 Ų55.50%031%0.306CS..Hα-helixtrans-62.6-46.3-179.3-70.5169.1000112.3V12 L13 S18 R19 F20 A42 F45 Y46 Y50 F65V12-L16 HydrophobicContact CG1-CD1 3.79Å; V12-L16 HydrophobicContact CG1-CG 4.47Å; V12-L16 WeakPolarHBondContact O-CB 3.39Å; V12-L16 WeakPolarHBondContact O-CD1 3.25Å; V12-L16 WeakPolarHBondContact O-CG 3.46Å; V12-L16 PolarHBondContact O-N 3.38Å; L13-L16 PolarHBondContact O-N 3.04Å; L16-S18 VanDerWaalsContact C-N 3.33Å; L16-S18 PolarHBondContact O-N 3.02Å; L16-R19 PolarHBondContact O-N 3.21Å; L16-F20 HydrophobicContact CD2-CD2 4.35Å; L16-F20 HydrophobicContact CD2-CE2 4.09Å; L16-F20 WeakPolarHBondContact O-CD2 3.35Å; L16-F20 PolarHBondContact O-N 2.92Å; L16-A42 HydrophobicContact CB-CB 4.36Å; L16-A42 HydrophobicContact CD2-CB 4.47Å; L16-F45 HydrophobicContact CD2-CB 4.25Å; L16-F45 HydrophobicContact CD2-CD1 3.64Å; L16-F45 HydrophobicContact CD2-CE1 4.46Å; L16-F45 HydrophobicContact CD2-CG 4.33Å; L16-Y46 HydrophobicContact CD1-CD2 4.05Å; L16-Y46 HydrophobicContact CD1-CG 4.46Å; L16-Y50 HydrophobicContact CD1-CD2 4.46Å; L16-Y50 HydrophobicContact CD2-CD2 4.22Å; L16-Y50 HydrophobicContact CD2-CE2 4.08Å; L16-Y50 HydrophobicContact CG-CD2 4.45Å; L16-Y50 HydrophobicContact CG-CE2 4.16Å; L16-F65 HydrophobicContact CD1-CE2 4.02Å; L16-F65 HydrophobicContact CD1-CZ 3.96Å
17C92.3Very high89.2Confident2 Ų257.3 Ų57.31%0.01431%0.311CS..Hα-helixtrans-60.4-43.1174.6-72.20000110.9L13 R19 I21 L22L13-C17 WeakPolarHBondContact O-CB 3.25Å; L13-C17 PolarHBondContact O-N 2.68Å; L13-C17 PolarHBondContact O-SG 3.25Å; C17-R19 VanDerWaalsContact C-N 3.32Å; C17-R19 PolarHBondContact O-N 3.4Å; C17-I21 CarbonylContact O-C 3.57Å; C17-I21 WeakPolarHBondContact O-CA 3.44Å; C17-I21 PolarHBondContact O-N 3.27Å; C17-L22 HydrophobicContact CB-CG 4.43Å; C17-L22 PolarHBondContact O-N 3.24Å
18S91.5Very high89.2Confident43 Ų4351 Ų5130%0.30128%0.281SS..Hα-helixtrans-63.3-35.6177.680.60000113.2D14 D15 L16 H23D14-S18 VanDerWaalsContact O-CB 3.28Å; D14-S18 WeakPolarHBondContact O-CB 3.34Å; D14-S18 PolarHBondContact O-N 3.2Å; D14-S18 PolarHBondContact O-OG 2.94Å; D15-S18 PolarHBondContact O-N 2.72Å; D15-S18 PolarHBondContact O-OG 3.41Å; L16-S18 VanDerWaalsContact C-N 3.33Å; L16-S18 PolarHBondContact O-N 3.02Å; S18-H23 PolarHBondContact O-CE1 3.34Å; S18-H23 PolarHBondContact O-ND1 3.26Å
19R91.3Very high89Confident104 Ų10454.4 Ų54.439%0.39229%0.293SS..Hα-helixtrans-75.4-41.5179.2-72.4179.7-164.7-70.2-14.5113.5D15 L16 C17D15-R19 VanDerWaalsContact CG-NE 3.3Å; D15-R19 WeakPolarHBondContact O-CG 3.44Å; D15-R19 PolarHBondContact O-N 3.14Å; D15-R19 IonicContact OD1-CZ 2.64Å; D15-R19 IonicContact OD1-NE 3.51Å; D15-R19 PolarHBondContact OD1-NE 2.67Å; D15-R19 IonicContact OD1-NH2 2.85Å; D15-R19 PolarHBondContact OD1-NH2 3.05Å; D15-R19 WeakPolarHBondContact OD2-CD 3.38Å; D15-R19 IonicContact OD2-CZ 2.89Å; D15-R19 IonicContact OD2-NE 3.79Å; D15-R19 PolarHBondContact OD2-NE 3.42Å; D15-R19 IonicContact OD2-NH2 3.19Å; L16-R19 PolarHBondContact O-N 3.21Å; C17-R19 VanDerWaalsContact C-N 3.32Å; C17-R19 PolarHBondContact O-N 3.4Å
20F91.4Very high88.6Confident29 Ų2956.6 Ų56.613%0.12730%0.301CS..Hα-helixtrans-112.3-23-166.1-65-76.2000114.5L16 I24 Q38 L41 A42 F45L16-F20 HydrophobicContact CD2-CD2 4.35Å; L16-F20 HydrophobicContact CD2-CE2 4.09Å; L16-F20 WeakPolarHBondContact O-CD2 3.35Å; L16-F20 PolarHBondContact O-N 2.92Å; F20-I24 WeakPolarHBondContact O-CG2 3.15Å; F20-Q38 WeakPolarHBondContact O-CB 3.39Å; F20-L41 HydrophobicContact CD1-CB 3.88Å; F20-L41 HydrophobicContact CE1-CB 4.09Å; F20-A42 HydrophobicContact CB-CB 4.07Å; F20-A42 HydrophobicContact CD2-CB 3.65Å; F20-A42 HydrophobicContact CE2-CB 4.38Å; F20-A42 HydrophobicContact CG-CB 3.97Å; F20-F45 HydrophobicContact CE2-CB 3.64Å; F20-F45 HydrophobicContact CE2-CD1 4.18Å; F20-F45 HydrophobicContact CE2-CD2 4.13Å; F20-F45 AromaticContact CE2-CG 3.73Å; F20-F45 HydrophobicContact CE2-CG 3.73Å; F20-F45 HydrophobicContact CZ-CB 3.63Å; F20-F45 AromaticContact CZ-CD2 3.7Å; F20-F45 HydrophobicContact CZ-CD2 3.7Å; F20-F45 AromaticContact CZ-CG 3.73Å; F20-F45 HydrophobicContact CZ-CG 3.73Å
21I89.1Confident88.5Confident2 Ų258.3 Ų58.31%0.0130%0.303CS..THydrogen-bonded Turntrans-123.8-47.8-164.8-50.3-179.1000112.9C17 H23 I24 V35 Q38 I39 V69 L76C17-I21 CarbonylContact O-C 3.57Å; C17-I21 WeakPolarHBondContact O-CA 3.44Å; C17-I21 PolarHBondContact O-N 3.27Å; I21-H23 PolarHBondContact O-N 3.14Å; I21-H23 VanDerWaalsContact O-N 3.08Å; I21-I24 WeakPolarHBondContact O-CG1 3.33Å; I21-I24 PolarHBondContact O-N 3.4Å; I21-V35 HydrophobicContact CG2-CG1 4.32Å; I21-Q38 HydrophobicContact CG1-CB 4.24Å; I21-I39 HydrophobicContact CD1-CG1 3.78Å; I21-V69 HydrophobicContact CD1-CG1 3.58Å; I21-L76 HydrophobicContact CG2-CD1 3.94Å; I21-L76 HydrophobicContact CG2-CD2 3.61Å; I21-L76 HydrophobicContact CG2-CG 4.44Å
22L86Confident88.4Confident87 Ų8754.6 Ų54.646%0.45528%0.278SS..THydrogen-bonded Turntrans-63.2-22.1-172.9-63-172000114.2C17 F75C17-L22 HydrophobicContact CB-CG 4.43Å; C17-L22 PolarHBondContact O-N 3.24Å; L22-F75 HydrophobicContact CD2-CE1 4.11Å; L22-F75 HydrophobicContact CD2-CZ 3.52Å
23H84.2Confident88.3Confident143 Ų14355.3 Ų55.366%0.66228%0.281SS*.THydrogen-bonded Turntrans-111.111.3-172.2-61.5105.2000114.2S18 I21S18-H23 PolarHBondContact O-CE1 3.34Å; S18-H23 PolarHBondContact O-ND1 3.26Å; I21-H23 PolarHBondContact O-N 3.14Å; I21-H23 VanDerWaalsContact O-N 3.08Å
24I86.3Confident88Confident13 Ų1356 Ų567%0.06728%0.283CS..SBendtrans-78.8156.3177.173.9-169.7000111.3F20 I21 E28 R29 V35 Q38F20-I24 WeakPolarHBondContact O-CG2 3.15Å; I21-I24 WeakPolarHBondContact O-CG1 3.33Å; I21-I24 PolarHBondContact O-N 3.4Å; I24-E28 HydrophobicContact CD1-CB 4.33Å; I24-E28 HydrophobicContact CG1-CB 4.44Å; I24-R29 HydrophobicContact CD1-CB 4.08Å; I24-R29 HydrophobicContact CG1-CB 3.84Å; I24-V35 HydrophobicContact CD1-CG2 4.43Å; I24-Q38 HydrophobicContact CD1-CG 3.98Å; I24-Q38 HydrophobicContact CG2-CG 4.11Å
25P87.4Confident88Confident60 Ų6051.7 Ų51.739%0.3926%0.26SS..  trans-57146.8176-23.434.6000111.8E27 E28 R29P25-E27 PolarHBondContact O-N 3.08Å; P25-E28 PolarHBondContact O-N 3.34Å; P25-R29 PolarHBondContact O-N 3.47Å
26S84.2Confident88Confident62 Ų6250.1 Ų50.143%0.43425%0.251SS..Hα-helixtrans-55.9-37176.948.80000112.5E28 R29 D30S26-E28 PolarHBondContact O-N 2.92Å; S26-E28 VanDerWaalsContact O-N 3.12Å; S26-R29 PolarHBondContact O-N 2.9Å; S26-D30 WeakPolarHBondContact CB-OD2 3.39Å; S26-D30 VanDerWaalsContact O-CB 3.27Å; S26-D30 WeakPolarHBondContact O-CB 3.15Å; S26-D30 PolarHBondContact O-N 3.16Å
27E82.8Confident87.8Confident167 Ų16750.2 Ų50.278%0.7825%0.252SS*.Hα-helixtrans-54.6-26.9172.8-63.6168.6-146.300114.4P25P25-E27 PolarHBondContact O-N 3.08Å
28E82.3Confident87.8Confident19 Ų1950.5 Ų50.59%0.08925%0.253CS..Hα-helixtrans-101.9-28.8175.8-67.3-172-168.400112.9I24 P25 S26 R34 Q38I24-E28 HydrophobicContact CD1-CB 4.33Å; I24-E28 HydrophobicContact CG1-CB 4.44Å; P25-E28 PolarHBondContact O-N 3.34Å; S26-E28 PolarHBondContact O-N 2.92Å; S26-E28 VanDerWaalsContact O-N 3.12Å; E28-R34 HydrophobicContact CB-CB 4.17Å; E28-R34 WeakPolarHBondContact O-CB 3.49Å; E28-Q38 PolarHBondContact OE2-NE2 3.21Å
29R84.6Confident87.9Confident91 Ų9148.5 Ų48.534%0.34324%0.239SC..Hα-helixtrans-71.9-38.4176.5-173.1-162.362.5-145.3-10.4112.4I24 P25 S26 N31 V35 L76I24-R29 HydrophobicContact CD1-CB 4.08Å; I24-R29 HydrophobicContact CG1-CB 3.84Å; P25-R29 PolarHBondContact O-N 3.47Å; S26-R29 PolarHBondContact O-N 2.9Å; R29-N31 PolarHBondContact O-N 2.63Å; R29-N31 VanDerWaalsContact O-N 3.11Å; R29-V35 VanDerWaalsContact O-CG2 3.28Å; R29-V35 WeakPolarHBondContact O-CG2 3.45Å; R29-L76 HydrophobicContact CG-CD2 4.16Å
30D83.5Confident88Confident102 Ų10244 Ų4455%0.54522%0.222SC..THydrogen-bonded Turntrans-84.920.3-172.1-55-22000111.9S26S26-D30 WeakPolarHBondContact CB-OD2 3.39Å; S26-D30 VanDerWaalsContact O-CB 3.27Å; S26-D30 WeakPolarHBondContact O-CB 3.15Å; S26-D30 PolarHBondContact O-N 3.16Å
31N86.6Confident87.9Confident68 Ų6844.1 Ų44.136%0.36422%0.224SC..  trans-139.6111.3176.6178.1-66.2000109.1R29 I33 R34 V35R29-N31 PolarHBondContact O-N 2.63Å; R29-N31 VanDerWaalsContact O-N 3.11Å; N31-I33 VanDerWaalsContact C-N 3.25Å; N31-I33 PolarHBondContact O-N 3.43Å; N31-I33 WeakPolarHBondContact OD1-CB 3.35Å; N31-I33 PolarHBondContact OD1-N 2.91Å; N31-I33 VanDerWaalsContact OD1-N 3.14Å; N31-R34 HydrophobicContact CB-CB 4.09Å; N31-R34 HydrophobicContact CB-CG 3.97Å; N31-R34 WeakPolarHBondContact O-CB 3.28Å; N31-R34 PolarHBondContact O-N 3.31Å; N31-R34 PolarHBondContact OD1-N 3.29Å; N31-V35 PolarHBondContact O-N 2.74Å
32A89.9Confident88.1Confident10 Ų1044 Ų448%0.08322%0.224CC..Hα-helixtrans-61-30.9-173.400000113.9V35 C36 L77 I86A32-V35 PolarHBondContact O-N 3.21Å; A32-C36 PolarHBondContact O-N 3.42Å; A32-C36 PolarHBondContact O-SG 2.87Å; A32-L77 HydrophobicContact CB-CD2 3.97Å; A32-I86 HydrophobicContact CB-CD1 3.65Å; A32-I86 HydrophobicContact CB-CG1 3.96Å; A32-I86 HydrophobicContact CB-CG2 3.8Å
33I89.2Confident88.4Confident26 Ų2640.5 Ų40.513%0.13321%0.205CC..Hα-helixtrans-68-36.9176.5-48.7-58.8000111.1N31 F37 I86 E89 W90 Y93N31-I33 VanDerWaalsContact C-N 3.25Å; N31-I33 PolarHBondContact O-N 3.43Å; N31-I33 WeakPolarHBondContact OD1-CB 3.35Å; N31-I33 PolarHBondContact OD1-N 2.91Å; N31-I33 VanDerWaalsContact OD1-N 3.14Å; I33-F37 HydrophobicContact CG2-CE2 4.35Å; I33-F37 WeakPolarHBondContact O-CD2 3.32Å; I33-F37 WeakPolarHBondContact O-CE2 3.5Å; I33-I86 HydrophobicContact CD1-CG2 4.34Å; I33-E89 HydrophobicContact CD1-CB 3.72Å; I33-W90 HydrophobicContact CD1-CB 4.09Å; I33-W90 HydrophobicContact CG2-CB 4.26Å; I33-W90 HydrophobicContact CG2-CG 4.48Å; I33-Y93 HydrophobicContact CG2-CD1 4.07Å
34R87.5Confident88.6Confident24 Ų2434.4 Ų34.49%0.09118%0.176CC..Hα-helixtrans-67.1-44.9171.9-71.1-69.4-170.8-127.96.7111.5E28 N31 C36 F37 D411 I415E28-R34 HydrophobicContact CB-CB 4.17Å; E28-R34 WeakPolarHBondContact O-CB 3.49Å; N31-R34 HydrophobicContact CB-CB 4.09Å; N31-R34 HydrophobicContact CB-CG 3.97Å; N31-R34 WeakPolarHBondContact O-CB 3.28Å; N31-R34 PolarHBondContact O-N 3.31Å; N31-R34 PolarHBondContact OD1-N 3.29Å; R34-C36 VanDerWaalsContact C-N 3.29Å; R34-C36 PolarHBondContact O-N 2.75Å; R34-F37 PolarHBondContact O-N 2.88Å; R34-D411 PolarHBondContact NH2-O 2.92Å; R34-I415 VanDerWaalsContact NH1-CD1 3.26Å
35V91.4Very high88.8Confident0 Ų036.3 Ų36.30%018%0.184CC..Hα-helixtrans-57.6-40.4175174.80000111.5I21 I24 R29 N31 A32 F37 Q38 I39 F70 L76I21-V35 HydrophobicContact CG2-CG1 4.32Å; I24-V35 HydrophobicContact CD1-CG2 4.43Å; R29-V35 VanDerWaalsContact O-CG2 3.28Å; R29-V35 WeakPolarHBondContact O-CG2 3.45Å; N31-V35 PolarHBondContact O-N 2.74Å; A32-V35 PolarHBondContact O-N 3.21Å; V35-F37 PolarHBondContact O-N 2.81Å; V35-Q38 WeakPolarHBondContact O-CA 3.48Å; V35-Q38 WeakPolarHBondContact O-CB 3.32Å; V35-Q38 PolarHBondContact O-N 3.38Å; V35-I39 HydrophobicContact CG1-CD1 3.93Å; V35-I39 HydrophobicContact CG1-CG1 4.18Å; V35-I39 WeakPolarHBondContact O-CG1 3.46Å; V35-I39 PolarHBondContact O-N 2.97Å; V35-F70 HydrophobicContact CG1-CE1 3.97Å; V35-F70 HydrophobicContact CG1-CZ 4.23Å; V35-L76 HydrophobicContact CG1-CD1 4.12Å; V35-L76 HydrophobicContact CG1-CD2 4.27Å; V35-L76 HydrophobicContact CG2-CD2 4.38Å
36C92.8Very high89Confident0 Ų033.5 Ų33.50%017%0.165CC..Hα-helixtrans-58.6-30.2178.9-70.90000114.1A32 R34 I39 E40 I86 W90A32-C36 PolarHBondContact O-N 3.42Å; A32-C36 PolarHBondContact O-SG 2.87Å; R34-C36 VanDerWaalsContact C-N 3.29Å; R34-C36 PolarHBondContact O-N 2.75Å; C36-I39 WeakPolarHBondContact O-CB 3.38Å; C36-I39 PolarHBondContact O-N 2.82Å; C36-E40 PolarHBondContact O-N 2.99Å; C36-I86 VanDerWaalsContact SG-CG2 3.59Å; C36-W90 HydrophobicContact CB-CB 4.15Å; C36-W90 HydrophobicContact CB-CD2 3.39Å; C36-W90 HydrophobicContact CB-CE3 3.91Å; C36-W90 HydrophobicContact CB-CG 3.46Å; C36-W90 VanDerWaalsContact CB-CG 3.46Å; C36-W90 HydrophobicContact CB-CZ2 4.21Å; C36-W90 WeakPolarHBondContact O-CZ2 3.4Å
37F89.7Confident89.2Confident3 Ų331.4 Ų31.41%0.01315%0.15CC..Hα-helixtrans-70.4-35.4173.4-65.7-63.1000113I33 R34 V35 I39 E40 L41 W90 Y93 K94 L361 F410I33-F37 HydrophobicContact CG2-CE2 4.35Å; I33-F37 WeakPolarHBondContact O-CD2 3.32Å; I33-F37 WeakPolarHBondContact O-CE2 3.5Å; R34-F37 PolarHBondContact O-N 2.88Å; V35-F37 PolarHBondContact O-N 2.81Å; F37-I39 VanDerWaalsContact C-N 3.35Å; F37-E40 PolarHBondContact O-N 3.49Å; F37-L41 PolarHBondContact O-N 3.41Å; F37-W90 AromaticContact CD1-CE2 3.95Å; F37-W90 HydrophobicContact CD1-CZ2 4.11Å; F37-W90 AromaticContact CD1-NE1 3.17Å; F37-W90 AromaticContact CD2-NE1 3.89Å; F37-W90 AromaticContact CE1-CD1 3.81Å; F37-W90 AromaticContact CE1-CE2 3.96Å; F37-W90 HydrophobicContact CE1-CZ2 4.4Å; F37-W90 AromaticContact CE1-NE1 3Å; F37-W90 AromaticContact CE2-CD1 3.9Å; F37-W90 AromaticContact CE2-NE1 3.75Å; F37-W90 AromaticContact CG-NE1 3.63Å; F37-W90 AromaticContact CZ-CD1 3.63Å; F37-W90 AromaticContact CZ-NE1 3.32Å; F37-W90 VanDerWaalsContact CZ-NE1 3.32Å; F37-Y93 AromaticContact CE2-CD1 3.9Å; F37-Y93 HydrophobicContact CE2-CD1 3.9Å; F37-Y93 AromaticContact CE2-CE1 3.7Å; F37-Y93 HydrophobicContact CE2-CE1 3.7Å; F37-Y93 AromaticContact CZ-CD1 3.6Å; F37-Y93 HydrophobicContact CZ-CD1 3.6Å; F37-Y93 AromaticContact CZ-CE1 3.5Å; F37-Y93 HydrophobicContact CZ-CE1 3.5Å; F37-Y93 VanDerWaalsContact CZ-CE1 3.5Å; F37-K94 HydrophobicContact CE1-CB 4.49Å; F37-K94 HydrophobicContact CE1-CD 4.5Å; F37-L361 HydrophobicContact CD1-CD1 3.46Å; F37-L361 VanDerWaalsContact CD1-CD1 3.46Å; F37-L361 HydrophobicContact CD1-CD2 4.19Å; F37-L361 HydrophobicContact CD1-CG 4.47Å; F37-L361 HydrophobicContact CE1-CD1 3.47Å; F37-L361 VanDerWaalsContact CE1-CD1 3.47Å; F37-L361 HydrophobicContact CE1-CD2 3.57Å; F37-L361 HydrophobicContact CE1-CG 4.16Å; F37-L361 HydrophobicContact CZ-CD2 4.34Å; F37-F410 HydrophobicContact CB-CE2 3.67Å; F37-F410 HydrophobicContact CB-CZ 3.58Å; F37-F410 HydrophobicContact CD1-CE1 4.25Å; F37-F410 AromaticContact CD1-CZ 3.67Å; F37-F410 HydrophobicContact CD1-CZ 3.67Å; F37-F410 HydrophobicContact CD2-CD2 4.34Å; F37-F410 AromaticContact CD2-CE1 3.87Å; F37-F410 HydrophobicContact CD2-CE1 3.87Å; F37-F410 AromaticContact CD2-CE2 3.54Å; F37-F410 HydrophobicContact CD2-CE2 3.54Å; F37-F410 AromaticContact CD2-CZ 3.27Å; F37-F410 HydrophobicContact CD2-CZ 3.27Å; F37-F410 HydrophobicContact CE1-CE1 4.24Å; F37-F410 HydrophobicContact CE1-CZ 4.12Å; F37-F410 HydrophobicContact CE2-CD1 4.5Å; F37-F410 AromaticContact CE2-CE1 3.88Å; F37-F410 HydrophobicContact CE2-CE1 3.88Å; F37-F410 HydrophobicContact CE2-CE2 4.31Å; F37-F410 AromaticContact CE2-CZ 3.78Å; F37-F410 HydrophobicContact CE2-CZ 3.78Å; F37-F410 HydrophobicContact CG-CE1 4.06Å; F37-F410 AromaticContact CG-CE2 3.68Å; F37-F410 HydrophobicContact CG-CE2 3.68Å; F37-F410 AromaticContact CG-CZ 3.21Å; F37-F410 HydrophobicContact CG-CZ 3.21Å; F37-F410 HydrophobicContact CZ-CE1 4.06Å; F37-F410 HydrophobicContact CZ-CZ 4.17Å
38Q92.1Very high89.3Confident7 Ų724 Ų243%0.03312%0.115CC..Hα-helixtrans-71.2-34.4174.1-54.2-66.60.500110.9F20 I21 I24 E28 V35 E40 L41 A42F20-Q38 WeakPolarHBondContact O-CB 3.39Å; I21-Q38 HydrophobicContact CG1-CB 4.24Å; I24-Q38 HydrophobicContact CD1-CG 3.98Å; I24-Q38 HydrophobicContact CG2-CG 4.11Å; E28-Q38 PolarHBondContact OE2-NE2 3.21Å; V35-Q38 WeakPolarHBondContact O-CA 3.48Å; V35-Q38 WeakPolarHBondContact O-CB 3.32Å; V35-Q38 PolarHBondContact O-N 3.38Å; Q38-E40 VanDerWaalsContact C-N 3.35Å; Q38-L41 PolarHBondContact O-N 3.05Å; Q38-A42 PolarHBondContact O-N 2.95Å
39I93.8Very high89.6Confident1 Ų126.7 Ų26.71%0.00513%0.127CC..Hα-helixtrans-61.4-39.9169.7-67.3177.6000111.3I21 V35 C36 F37 A42 H43 I62 F65 A66 V69 F70I21-I39 HydrophobicContact CD1-CG1 3.78Å; V35-I39 HydrophobicContact CG1-CD1 3.93Å; V35-I39 HydrophobicContact CG1-CG1 4.18Å; V35-I39 WeakPolarHBondContact O-CG1 3.46Å; V35-I39 PolarHBondContact O-N 2.97Å; C36-I39 WeakPolarHBondContact O-CB 3.38Å; C36-I39 PolarHBondContact O-N 2.82Å; F37-I39 VanDerWaalsContact C-N 3.35Å; I39-A42 PolarHBondContact O-N 3.06Å; I39-H43 WeakPolarHBondContact O-CB 3.3Å; I39-H43 PolarHBondContact O-N 2.89Å; I39-I62 HydrophobicContact CG2-CD1 4.44Å; I39-F65 HydrophobicContact CG2-CD1 3.75Å; I39-F65 HydrophobicContact CG2-CE1 3.91Å; I39-F65 WeakPolarHBondContact O-CE1 3.4Å; I39-A66 HydrophobicContact CG2-CB 3.73Å; I39-V69 HydrophobicContact CD1-CB 4.27Å; I39-V69 HydrophobicContact CD1-CG1 3.89Å; I39-V69 HydrophobicContact CG1-CB 4.43Å; I39-V69 HydrophobicContact CG1-CG1 3.9Å; I39-F70 HydrophobicContact CD1-CD1 4.44Å; I39-F70 HydrophobicContact CD1-CD2 4.05Å; I39-F70 HydrophobicContact CD1-CE1 4.01Å; I39-F70 HydrophobicContact CD1-CE2 3.58Å; I39-F70 HydrophobicContact CD1-CG 4.47Å; I39-F70 HydrophobicContact CD1-CZ 3.55Å
40E92.4Very high89.7Confident10 Ų1024.6 Ų24.65%0.04712%0.119CC..Hα-helixtrans-64.4-41.5174.7179.9171.1-175.200112.5C36 F37 Q38 A42 H43 W44 I62 W90 K94 L361C36-E40 PolarHBondContact O-N 2.99Å; F37-E40 PolarHBondContact O-N 3.49Å; Q38-E40 VanDerWaalsContact C-N 3.35Å; E40-A42 VanDerWaalsContact C-N 3.31Å; E40-A42 PolarHBondContact O-N 3.34Å; E40-H43 PolarHBondContact O-N 2.92Å; E40-W44 PolarHBondContact O-N 3.43Å; E40-W44 PolarHBondContact OE1-NE1 3.03Å; E40-I62 HydrophobicContact CB-CD1 4.26Å; E40-W90 HydrophobicContact CB-CH2 4.05Å; E40-W90 HydrophobicContact CB-CZ2 4.04Å; E40-W90 VanDerWaalsContact OE2-CZ2 3.23Å; E40-W90 WeakPolarHBondContact OE2-CZ2 3.41Å; E40-K94 IonicContact OE1-NZ 3.95Å; E40-K94 PolarHBondContact OE1-NZ 3.13Å; E40-K94 IonicContact OE2-NZ 2.93Å; E40-K94 PolarHBondContact OE2-NZ 3.08Å; E40-L361 WeakPolarHBondContact OE2-CD1 3.44Å
41L90.1Very high89.7Confident31 Ų3122 Ų2216%0.16210%0.104CC..Hα-helixtrans-62.2-39.9173.9-64179.8000111.7F20 F37 Q38 F45 R359 F408F20-L41 HydrophobicContact CD1-CB 3.88Å; F20-L41 HydrophobicContact CE1-CB 4.09Å; F37-L41 PolarHBondContact O-N 3.41Å; Q38-L41 PolarHBondContact O-N 3.05Å; L41-F45 PolarHBondContact O-N 3.32Å; L41-R359 VanDerWaalsContact CD2-O 3.23Å; L41-R359 WeakPolarHBondContact CD2-O 3.32Å; L41-F408 HydrophobicContact CD1-CD1 4.33Å; L41-F408 HydrophobicContact CD1-CE1 4.18Å
42A92.9Very high89.4Confident0 Ų022.9 Ų22.90%011%0.106CC..Hα-helixtrans-65.5-39.5173.500000112.8L16 F20 Q38 I39 E40 F45 Y46 F65L16-A42 HydrophobicContact CB-CB 4.36Å; L16-A42 HydrophobicContact CD2-CB 4.47Å; F20-A42 HydrophobicContact CB-CB 4.07Å; F20-A42 HydrophobicContact CD2-CB 3.65Å; F20-A42 HydrophobicContact CE2-CB 4.38Å; F20-A42 HydrophobicContact CG-CB 3.97Å; Q38-A42 PolarHBondContact O-N 2.95Å; I39-A42 PolarHBondContact O-N 3.06Å; E40-A42 VanDerWaalsContact C-N 3.31Å; E40-A42 PolarHBondContact O-N 3.34Å; A42-F45 PolarHBondContact O-N 2.83Å; A42-Y46 WeakPolarHBondContact O-CB 3.34Å; A42-Y46 PolarHBondContact O-N 2.91Å; A42-F65 HydrophobicContact CB-CE1 3.98Å; A42-F65 HydrophobicContact CB-CZ 3.98Å
43H92.7Very high89Confident13 Ų1328.4 Ų28.46%0.0613%0.134CC..Hα-helixtrans-63.8-45175.9-175.3-135000111I39 E40 F45 Y46 L47 C60 I62 F65I39-H43 WeakPolarHBondContact O-CB 3.3Å; I39-H43 PolarHBondContact O-N 2.89Å; E40-H43 PolarHBondContact O-N 2.92Å; H43-F45 VanDerWaalsContact C-N 3.34Å; H43-F45 PolarHBondContact O-N 3.08Å; H43-Y46 WeakPolarHBondContact O-CB 3.43Å; H43-Y46 PolarHBondContact O-N 2.78Å; H43-L47 WeakPolarHBondContact O-CG 3.15Å; H43-L47 PolarHBondContact O-N 3.4Å; H43-C60 PolarHBondContact NE2-O 2.79Å; H43-I62 HydrophobicContact CB-CD1 3.67Å; H43-I62 PolarHBondContact CE1-N 3.04Å; H43-F65 HydrophobicContact CB-CD1 3.55Å; H43-F65 HydrophobicContact CB-CD2 4.44Å; H43-F65 HydrophobicContact CB-CE1 3.76Å; H43-F65 HydrophobicContact CB-CG 3.93Å; H43-F65 HydrophobicContact CB-CZ 4.29Å; H43-F65 AromaticContact CD2-CD2 3.62Å; H43-F65 AromaticContact CD2-CG 3.42Å; H43-F65 VanDerWaalsContact CD2-CG 3.42Å; H43-F65 WeakPolarHBondContact CD2-CG 3.31Å; H43-F65 AromaticContact CG-CG 3.91Å
44W87.9Confident88.7Confident16 Ų1630.1 Ų30.16%0.06115%0.146CC..Hα-helixtrans-62.9-40174.8-73.1126000112.5E40 Y46 L47 D48 L119E40-W44 PolarHBondContact O-N 3.43Å; E40-W44 PolarHBondContact OE1-NE1 3.03Å; W44-Y46 VanDerWaalsContact C-N 3.34Å; W44-L47 HydrophobicContact CE3-CD1 3.83Å; W44-L47 HydrophobicContact CZ3-CD1 3.89Å; W44-L47 PolarHBondContact O-N 3.17Å; W44-D48 WeakPolarHBondContact O-CB 2.99Å; W44-D48 PolarHBondContact O-N 3.33Å; W44-L119 HydrophobicContact CH2-CD1 4.02Å
45F90.6Very high88.4Confident53 Ų5335 Ų3523%0.23218%0.181CC..Hα-helixtrans-64.1-39.2173.8-167.5-85.3000112.1L16 F20 L41 A42 H43 D48 F49 Y50L16-F45 HydrophobicContact CD2-CB 4.25Å; L16-F45 HydrophobicContact CD2-CD1 3.64Å; L16-F45 HydrophobicContact CD2-CE1 4.46Å; L16-F45 HydrophobicContact CD2-CG 4.33Å; F20-F45 HydrophobicContact CE2-CB 3.64Å; F20-F45 HydrophobicContact CE2-CD1 4.18Å; F20-F45 HydrophobicContact CE2-CD2 4.13Å; F20-F45 AromaticContact CE2-CG 3.73Å; F20-F45 HydrophobicContact CE2-CG 3.73Å; F20-F45 HydrophobicContact CZ-CB 3.63Å; F20-F45 AromaticContact CZ-CD2 3.7Å; F20-F45 HydrophobicContact CZ-CD2 3.7Å; F20-F45 AromaticContact CZ-CG 3.73Å; F20-F45 HydrophobicContact CZ-CG 3.73Å; L41-F45 PolarHBondContact O-N 3.32Å; A42-F45 PolarHBondContact O-N 2.83Å; H43-F45 VanDerWaalsContact C-N 3.34Å; H43-F45 PolarHBondContact O-N 3.08Å; F45-D48 PolarHBondContact O-N 3Å; F45-F49 HydrophobicContact CB-CD2 4.42Å; F45-F49 HydrophobicContact CD1-CB 4.29Å; F45-F49 HydrophobicContact CD1-CD2 4.04Å; F45-F49 AromaticContact CD2-CD2 3.4Å; F45-F49 HydrophobicContact CD2-CD2 3.4Å; F45-F49 AromaticContact CD2-CE2 3.61Å; F45-F49 HydrophobicContact CD2-CE2 3.61Å; F45-F49 HydrophobicContact CD2-CG 4.39Å; F45-F49 HydrophobicContact CE1-CB 4.03Å; F45-F49 HydrophobicContact CE1-CD2 4.14Å; F45-F49 HydrophobicContact CE1-CG 4.31Å; F45-F49 AromaticContact CE2-CD2 3.5Å; F45-F49 HydrophobicContact CE2-CD2 3.5Å; F45-F49 AromaticContact CE2-CE2 3.73Å; F45-F49 HydrophobicContact CE2-CE2 3.73Å; F45-F49 HydrophobicContact CE2-CG 4.14Å; F45-F49 AromaticContact CG-CD2 3.7Å; F45-F49 HydrophobicContact CG-CD2 3.7Å; F45-F49 HydrophobicContact CG-CE2 4.3Å; F45-F49 HydrophobicContact CZ-CB 4.26Å; F45-F49 AromaticContact CZ-CD2 3.89Å; F45-F49 HydrophobicContact CZ-CD2 3.89Å; F45-F49 HydrophobicContact CZ-CE2 4.5Å; F45-F49 HydrophobicContact CZ-CG 4.1Å; F45-F49 WeakPolarHBondContact O-CB 3.49Å; F45-F49 WeakPolarHBondContact O-CD2 3.25Å; F45-F49 PolarHBondContact O-N 2.94Å; F45-Y50 HydrophobicContact CD1-CD2 4.27Å; F45-Y50 HydrophobicContact CD1-CE2 4.31Å; F45-Y50 HydrophobicContact CE1-CD2 4.35Å; F45-Y50 HydrophobicContact CE1-CE2 4.09Å
46Y91.6Very high87.9Confident0 Ų038.2 Ų38.20%021%0.214CC..Iπ-helixtrans-59.9-47.9173175.9-99.8000112I8 V12 L16 A42 H43 W44 D48 Y50 M51 L57 P58 F65I8-Y46 HydrophobicContact CG2-CE2 3.91Å; V12-Y46 HydrophobicContact CG1-CD2 3.94Å; V12-Y46 HydrophobicContact CG1-CE2 4.05Å; L16-Y46 HydrophobicContact CD1-CD2 4.05Å; L16-Y46 HydrophobicContact CD1-CG 4.46Å; A42-Y46 WeakPolarHBondContact O-CB 3.34Å; A42-Y46 PolarHBondContact O-N 2.91Å; H43-Y46 WeakPolarHBondContact O-CB 3.43Å; H43-Y46 PolarHBondContact O-N 2.78Å; W44-Y46 VanDerWaalsContact C-N 3.34Å; Y46-D48 PolarHBondContact O-N 3.03Å; Y46-Y50 HydrophobicContact CD2-CD2 4.5Å; Y46-Y50 HydrophobicContact CD2-CG 4.28Å; Y46-Y50 WeakPolarHBondContact O-CB 3.27Å; Y46-Y50 PolarHBondContact O-N 3.39Å; Y46-Y50 VanDerWaalsContact O-N 3.14Å; Y46-M51 HydrophobicContact CD1-CG 4.21Å; Y46-M51 HydrophobicContact CE1-CG 3.82Å; Y46-M51 HydrophobicContact CE1-SD 4.25Å; Y46-M51 PolarHBondContact O-N 3.2Å; Y46-L57 HydrophobicContact CE2-CD1 4.03Å; Y46-P58 WeakPolarHBondContact OH-CD 3.27Å; Y46-P58 PolarHBondContact OH-O 2.9Å; Y46-F65 HydrophobicContact CD1-CD2 4.27Å; Y46-F65 HydrophobicContact CD1-CE2 4.25Å; Y46-F65 HydrophobicContact CD2-CE2 4.36Å; Y46-F65 HydrophobicContact CG-CD2 4.38Å; Y46-F65 AromaticContact CG-CE2 3.9Å; Y46-F65 HydrophobicContact CG-CE2 3.9Å
47L87.8Confident87.5Confident19 Ų1939.2 Ų39.210%0.09922%0.219CC..Iπ-helixtrans-67.5-30.5177.7-65.6-179.7000113.5H43 W44 M51 R192H43-L47 WeakPolarHBondContact O-CG 3.15Å; H43-L47 PolarHBondContact O-N 3.4Å; W44-L47 HydrophobicContact CE3-CD1 3.83Å; W44-L47 HydrophobicContact CZ3-CD1 3.89Å; W44-L47 PolarHBondContact O-N 3.17Å; L47-M51 HydrophobicContact CD2-CG 4.44Å; L47-M51 HydrophobicContact CD2-SD 3.47Å; L47-M51 WeakPolarHBondContact CD2-SD 3.11Å; L47-R192 PolarHBondContact O-NH1 3.16Å
48D85.7Confident87.3Confident10 Ų1040 Ų405%0.05322%0.224CC..Iπ-helixtrans-91.6-27.9-177.9-87.7-35.7000115.2W44 F45 Y46 Q52 R191 R359W44-D48 WeakPolarHBondContact O-CB 2.99Å; W44-D48 PolarHBondContact O-N 3.33Å; F45-D48 PolarHBondContact O-N 3Å; Y46-D48 PolarHBondContact O-N 3.03Å; D48-Q52 WeakPolarHBondContact O-CG 3.21Å; D48-Q52 PolarHBondContact O-NE2 2.97Å; D48-Q52 VanDerWaalsContact O-NE2 3.08Å; D48-R191 VanDerWaalsContact OD1-CB 3.27Å; D48-R191 WeakPolarHBondContact OD1-CB 3.35Å; D48-R359 VanDerWaalsContact CG-NH2 3.25Å; D48-R359 IonicContact OD1-NH2 3.42Å; D48-R359 PolarHBondContact OD1-NH2 3.32Å; D48-R359 IonicContact OD2-CZ 3.47Å; D48-R359 VanDerWaalsContact OD2-CZ 3.3Å; D48-R359 IonicContact OD2-NE 2.75Å; D48-R359 PolarHBondContact OD2-NE 3.22Å; D48-R359 IonicContact OD2-NH2 3.3Å; D48-R359 PolarHBondContact OD2-NH2 2.87Å
49F88Confident86.9Confident77 Ų7746.7 Ų46.734%0.33826%0.256SS..Iπ-helixtrans-122.4-45.5-172.8-59.6-80.2000113F45 N53F45-F49 HydrophobicContact CB-CD2 4.42Å; F45-F49 HydrophobicContact CD1-CB 4.29Å; F45-F49 HydrophobicContact CD1-CD2 4.04Å; F45-F49 AromaticContact CD2-CD2 3.4Å; F45-F49 HydrophobicContact CD2-CD2 3.4Å; F45-F49 AromaticContact CD2-CE2 3.61Å; F45-F49 HydrophobicContact CD2-CE2 3.61Å; F45-F49 HydrophobicContact CD2-CG 4.39Å; F45-F49 HydrophobicContact CE1-CB 4.03Å; F45-F49 HydrophobicContact CE1-CD2 4.14Å; F45-F49 HydrophobicContact CE1-CG 4.31Å; F45-F49 AromaticContact CE2-CD2 3.5Å; F45-F49 HydrophobicContact CE2-CD2 3.5Å; F45-F49 AromaticContact CE2-CE2 3.73Å; F45-F49 HydrophobicContact CE2-CE2 3.73Å; F45-F49 HydrophobicContact CE2-CG 4.14Å; F45-F49 AromaticContact CG-CD2 3.7Å; F45-F49 HydrophobicContact CG-CD2 3.7Å; F45-F49 HydrophobicContact CG-CE2 4.3Å; F45-F49 HydrophobicContact CZ-CB 4.26Å; F45-F49 AromaticContact CZ-CD2 3.89Å; F45-F49 HydrophobicContact CZ-CD2 3.89Å; F45-F49 HydrophobicContact CZ-CE2 4.5Å; F45-F49 HydrophobicContact CZ-CG 4.1Å; F45-F49 WeakPolarHBondContact O-CB 3.49Å; F45-F49 WeakPolarHBondContact O-CD2 3.25Å; F45-F49 PolarHBondContact O-N 2.94Å; F49-N53 WeakPolarHBondContact O-CB 3.23Å; F49-N53 PolarHBondContact O-N 3.03Å; F49-N53 PolarHBondContact O-ND2 3.12Å
50Y87.5Confident86.5Confident46 Ų4647.7 Ų47.718%0.1826%0.262CS..Iπ-helixtrans-73-54.3179.7-85.1-76.4000111.9V12 D15 L16 F45 Y46 Q52 N53 T54 L57V12-Y50 HydrophobicContact CB-CD1 4.48Å; V12-Y50 HydrophobicContact CB-CE1 4.31Å; V12-Y50 HydrophobicContact CG1-CD1 3.72Å; V12-Y50 HydrophobicContact CG1-CD2 3.94Å; V12-Y50 HydrophobicContact CG1-CE1 3.84Å; V12-Y50 HydrophobicContact CG1-CE2 4.05Å; V12-Y50 HydrophobicContact CG1-CG 3.78Å; V12-Y50 HydrophobicContact CG2-CD1 3.97Å; V12-Y50 HydrophobicContact CG2-CE1 3.82Å; D15-Y50 WeakPolarHBondContact CB-OH 3.45Å; D15-Y50 PolarHBondContact OD2-OH 2.99Å; L16-Y50 HydrophobicContact CD1-CD2 4.46Å; L16-Y50 HydrophobicContact CD2-CD2 4.22Å; L16-Y50 HydrophobicContact CD2-CE2 4.08Å; L16-Y50 HydrophobicContact CG-CD2 4.45Å; L16-Y50 HydrophobicContact CG-CE2 4.16Å; F45-Y50 HydrophobicContact CD1-CD2 4.27Å; F45-Y50 HydrophobicContact CD1-CE2 4.31Å; F45-Y50 HydrophobicContact CE1-CD2 4.35Å; F45-Y50 HydrophobicContact CE1-CE2 4.09Å; Y46-Y50 HydrophobicContact CD2-CD2 4.5Å; Y46-Y50 HydrophobicContact CD2-CG 4.28Å; Y46-Y50 WeakPolarHBondContact O-CB 3.27Å; Y46-Y50 PolarHBondContact O-N 3.39Å; Y46-Y50 VanDerWaalsContact O-N 3.14Å; Y50-Q52 PolarHBondContact O-N 2.85Å; Y50-N53 PolarHBondContact O-N 3.22Å; Y50-N53 VanDerWaalsContact O-N 3.14Å; Y50-T54 PolarHBondContact O-N 3.14Å; Y50-L57 HydrophobicContact CD1-CD1 4.27Å; Y50-L57 HydrophobicContact CG-CD1 4.48Å
51M84.4Confident86.4Confident47 Ų4748.1 Ų48.123%0.23227%0.27CS..Hα-helixtrans-61.5-12.3177.6-78.6-156.478.200115.2Y46 L47 Q59Y46-M51 HydrophobicContact CD1-CG 4.21Å; Y46-M51 HydrophobicContact CE1-CG 3.82Å; Y46-M51 HydrophobicContact CE1-SD 4.25Å; Y46-M51 PolarHBondContact O-N 3.2Å; L47-M51 HydrophobicContact CD2-CG 4.44Å; L47-M51 HydrophobicContact CD2-SD 3.47Å; L47-M51 WeakPolarHBondContact CD2-SD 3.11Å; M51-Q59 HydrophobicContact CE-CB 3.61Å; M51-Q59 HydrophobicContact CE-CG 3.97Å; M51-Q59 HydrophobicContact SD-CB 4.2Å; M51-Q59 HydrophobicContact SD-CG 4.1Å
52Q78.4Confident86.4Confident88 Ų8847.5 Ų47.541%0.41127%0.266SS..Hα-helixtrans-97.8-25.7177.5-61.9-170.130.200113D48 Y50 R192D48-Q52 WeakPolarHBondContact O-CG 3.21Å; D48-Q52 PolarHBondContact O-NE2 2.97Å; D48-Q52 VanDerWaalsContact O-NE2 3.08Å; Y50-Q52 PolarHBondContact O-N 2.85Å; Q52-R192 VanDerWaalsContact NE2-CZ 3.35Å
53N81.4Confident86.4Confident125 Ų12549.4 Ų49.467%0.66827%0.274SS*.Hα-helixtrans-109.3-14.5-175.1-63.8-58.3000113.7F49 Y50F49-N53 WeakPolarHBondContact O-CB 3.23Å; F49-N53 PolarHBondContact O-N 3.03Å; F49-N53 PolarHBondContact O-ND2 3.12Å; Y50-N53 PolarHBondContact O-N 3.22Å; Y50-N53 VanDerWaalsContact O-N 3.14Å
54T83.4Confident86.3Confident62 Ų6252.1 Ų52.138%0.3829%0.289SS..SBendtrans-125.8100.2-177.6-51.30000110.6Y50 L57Y50-T54 PolarHBondContact O-N 3.14Å; T54-L57 HydrophobicContact CG2-CD1 4.01Å; T54-L57 HydrophobicContact CG2-CD2 4.49Å; T54-L57 HydrophobicContact CG2-CG 3.89Å
55P80.8Confident86.6Confident127 Ų12751.3 Ų51.383%0.82529%0.286SS*.THydrogen-bonded Turntrans-57.6149.9172.1-24.234.9000112.3L57P55-L57 VanDerWaalsContact C-N 3.33Å; P55-L57 PolarHBondContact O-N 3.12Å
56G81.5Confident86.8Confident67 Ų6748.8 Ų48.869%0.69128%0.275SS*.THydrogen-bonded Turntrans84.3-6.5177.500000115.9
57L84.6Confident86.8Confident21 Ų2151.7 Ų51.711%0.1129%0.287CS..  trans-67.9138.4172.6-73.6-177.4000112.1P9 Y46 Y50 T54 P55P9-L57 VanDerWaalsContact CD-CD2 3.45Å; P9-L57 HydrophobicContact CG-CD2 3.81Å; Y46-L57 HydrophobicContact CE2-CD1 4.03Å; Y50-L57 HydrophobicContact CD1-CD1 4.27Å; Y50-L57 HydrophobicContact CG-CD1 4.48Å; T54-L57 HydrophobicContact CG2-CD1 4.01Å; T54-L57 HydrophobicContact CG2-CD2 4.49Å; T54-L57 HydrophobicContact CG2-CG 3.89Å; P55-L57 VanDerWaalsContact C-N 3.33Å; P55-L57 PolarHBondContact O-N 3.12Å
58P85.8Confident87.1Confident19 Ų1952.1 Ų52.112%0.12329%0.294CS..  trans-68.7134.6-17827.4-35.8000112.9L6 I8 Y46 C60L6-P58 HydrophobicContact CB-CB 3.9Å; L6-P58 HydrophobicContact CB-CG 4.38Å; L6-P58 VanDerWaalsContact O-CB 3.25Å; L6-P58 WeakPolarHBondContact O-CB 3.46Å; L6-P58 VanDerWaalsContact O-CG 3.32Å; L6-P58 WeakPolarHBondContact O-CG 3.19Å; I8-P58 HydrophobicContact CG1-CG 3.97Å; Y46-P58 WeakPolarHBondContact OH-CD 3.27Å; Y46-P58 PolarHBondContact OH-O 2.9Å; P58-C60 PolarHBondContact O-N 3.03Å
59Q83.9Confident87.5Confident149 Ų14951.7 Ų51.770%0.69629%0.291SS*.  trans-78.2109.4164.4-168.5173.6-25.600109.6M51M51-Q59 HydrophobicContact CE-CB 3.61Å; M51-Q59 HydrophobicContact CE-CG 3.97Å; M51-Q59 HydrophobicContact SD-CB 4.2Å; M51-Q59 HydrophobicContact SD-CG 4.1Å
60C85.9Confident87.7Confident21 Ų2148.3 Ų48.314%0.14228%0.276CS..  trans-115.3145.7179.759.60000112.3H43 P58 D64H43-C60 PolarHBondContact NE2-O 2.79Å; P58-C60 PolarHBondContact O-N 3.03Å; C60-D64 HydrophobicContact CB-CB 4.22Å
61G88.9Confident87.9Confident20 Ų2050.8 Ų50.821%0.20630%0.3CS..  trans-68.9168167.800000112.1R63 D64 F65 D368G61-R63 VanDerWaalsContact C-N 3.28Å; G61-R63 PolarHBondContact O-N 2.91Å; G61-D64 PolarHBondContact O-N 3.25Å; G61-F65 WeakPolarHBondContact O-CB 3.47Å; G61-F65 PolarHBondContact O-N 3.49Å; G61-D368 WeakPolarHBondContact CA-OD1 3.48Å
62I90.6Very high88.3Confident17 Ų1751.3 Ų51.39%0.08730%0.302CS..Hα-helixtrans-62.6-34-177.8-177.659.8000112.3I39 E40 H43 A66 W90 F365I39-I62 HydrophobicContact CG2-CD1 4.44Å; E40-I62 HydrophobicContact CB-CD1 4.26Å; H43-I62 HydrophobicContact CB-CD1 3.67Å; H43-I62 PolarHBondContact CE1-N 3.04Å; I62-A66 VanDerWaalsContact O-CB 3.26Å; I62-A66 WeakPolarHBondContact O-CB 3.29Å; I62-A66 PolarHBondContact O-N 2.91Å; I62-W90 HydrophobicContact CD1-CH2 4.28Å; I62-W90 HydrophobicContact CG1-CH2 3.81Å; I62-W90 HydrophobicContact CG1-CZ3 3.85Å; I62-F365 HydrophobicContact CG2-CD1 4.02Å; I62-F365 HydrophobicContact CG2-CE1 3.98Å
63R92.2Very high88.8Confident41 Ų4147.7 Ų47.716%0.15529%0.286CS..Hα-helixtrans-64.3-49175.8-71-159.1175.6-128.9-7.3112.6G61 F65 A66 K67 E84 L87 D88 F365G61-R63 VanDerWaalsContact C-N 3.28Å; G61-R63 PolarHBondContact O-N 2.91Å; R63-F65 VanDerWaalsContact C-N 3.34Å; R63-A66 PolarHBondContact O-N 3.14Å; R63-K67 VanDerWaalsContact O-CG 3.29Å; R63-K67 WeakPolarHBondContact O-CG 3.49Å; R63-K67 PolarHBondContact O-N 3.35Å; R63-E84 IonicContact CZ-OE2 3.47Å; R63-E84 IonicContact NH1-OE2 3.99Å; R63-E84 PolarHBondContact NH1-OE2 3.13Å; R63-L87 HydrophobicContact CB-CD1 4.21Å; R63-L87 HydrophobicContact CG-CD1 4.19Å; R63-D88 IonicContact CZ-OD1 2.75Å; R63-D88 IonicContact NH1-OD1 3.58Å; R63-D88 PolarHBondContact NH1-OD1 2.76Å; R63-D88 IonicContact NH2-OD1 3.9Å; R63-D88 PolarHBondContact NH2-OD1 2.87Å; R63-F365 HydrophobicContact CG-CD1 4.44Å; R63-F365 HydrophobicContact CG-CE1 4.15Å
64D92Very high89Confident69 Ų6945.9 Ų45.937%0.36928%0.281SS..Hα-helixtrans-68.6-35.9-179-72.6-19.4000111.5R5 C60 G61 K67 A68R5-D64 IonicContact NH1-OD2 2.61Å; C60-D64 HydrophobicContact CB-CB 4.22Å; G61-D64 PolarHBondContact O-N 3.25Å; D64-K67 IonicContact OD1-NZ 2.68Å; D64-A68 PolarHBondContact O-N 3.44Å
65F93.6Very high89.2Confident0 Ų048 Ų480%029%0.286CS..Hα-helixtrans-62.7-46.6171.2-176.5-91.1000112I8 L16 I39 A42 H43 Y46 G61 R63 K67 A68 V69I8-F65 HydrophobicContact CD1-CD2 3.57Å; I8-F65 HydrophobicContact CD1-CE2 4.04Å; L16-F65 HydrophobicContact CD1-CE2 4.02Å; L16-F65 HydrophobicContact CD1-CZ 3.96Å; I39-F65 HydrophobicContact CG2-CD1 3.75Å; I39-F65 HydrophobicContact CG2-CE1 3.91Å; I39-F65 WeakPolarHBondContact O-CE1 3.4Å; A42-F65 HydrophobicContact CB-CE1 3.98Å; A42-F65 HydrophobicContact CB-CZ 3.98Å; H43-F65 HydrophobicContact CB-CD1 3.55Å; H43-F65 HydrophobicContact CB-CD2 4.44Å; H43-F65 HydrophobicContact CB-CE1 3.76Å; H43-F65 HydrophobicContact CB-CG 3.93Å; H43-F65 HydrophobicContact CB-CZ 4.29Å; H43-F65 AromaticContact CD2-CD2 3.62Å; H43-F65 AromaticContact CD2-CG 3.42Å; H43-F65 VanDerWaalsContact CD2-CG 3.42Å; H43-F65 WeakPolarHBondContact CD2-CG 3.31Å; H43-F65 AromaticContact CG-CG 3.91Å; Y46-F65 HydrophobicContact CD1-CD2 4.27Å; Y46-F65 HydrophobicContact CD1-CE2 4.25Å; Y46-F65 HydrophobicContact CD2-CE2 4.36Å; Y46-F65 HydrophobicContact CG-CD2 4.38Å; Y46-F65 AromaticContact CG-CE2 3.9Å; Y46-F65 HydrophobicContact CG-CE2 3.9Å; G61-F65 WeakPolarHBondContact O-CB 3.47Å; G61-F65 PolarHBondContact O-N 3.49Å; R63-F65 VanDerWaalsContact C-N 3.34Å; F65-K67 PolarHBondContact O-N 2.93Å; F65-A68 WeakPolarHBondContact O-CB 3.38Å; F65-A68 PolarHBondContact O-N 2.64Å; F65-V69 HydrophobicContact CD1-CG2 4.09Å; F65-V69 HydrophobicContact CE1-CG2 3.63Å; F65-V69 HydrophobicContact CZ-CG2 3.93Å; F65-V69 WeakPolarHBondContact O-CG2 3.49Å; F65-V69 PolarHBondContact O-N 2.73Å
66A94Very high89.5Confident0 Ų042.1 Ų42.10%025%0.247CC..Hα-helixtrans-63.2-41.617900000112.4I39 I62 R63 A68 V69 F70 L87I39-A66 HydrophobicContact CG2-CB 3.73Å; I62-A66 VanDerWaalsContact O-CB 3.26Å; I62-A66 WeakPolarHBondContact O-CB 3.29Å; I62-A66 PolarHBondContact O-N 2.91Å; R63-A66 PolarHBondContact O-N 3.14Å; A66-A68 PolarHBondContact O-N 3.31Å; A66-V69 PolarHBondContact O-N 3.39Å; A66-F70 WeakPolarHBondContact O-CD2 3.45Å; A66-F70 PolarHBondContact O-N 3.26Å; A66-L87 HydrophobicContact CB-CD1 4.24Å; A66-L87 HydrophobicContact CB-CD2 3.72Å
67K93.3Very high89.7Confident60 Ų6039.9 Ų39.926%0.26122%0.219SC..Hα-helixtrans-57.1-47.9172.3-71.6165.6-175174.70111.6R63 D64 F65 V69 F70 S71 V83 E84 L87R63-K67 VanDerWaalsContact O-CG 3.29Å; R63-K67 WeakPolarHBondContact O-CG 3.49Å; R63-K67 PolarHBondContact O-N 3.35Å; D64-K67 IonicContact OD1-NZ 2.68Å; F65-K67 PolarHBondContact O-N 2.93Å; K67-V69 VanDerWaalsContact C-N 3.33Å; K67-V69 PolarHBondContact O-N 2.81Å; K67-F70 PolarHBondContact O-N 2.88Å; K67-S71 WeakPolarHBondContact O-CB 3.4Å; K67-S71 PolarHBondContact O-N 2.81Å; K67-S71 PolarHBondContact O-OG 3.4Å; K67-S71 VanDerWaalsContact O-OG 3.13Å; K67-V83 HydrophobicContact CG-CG1 3.77Å; K67-E84 VanDerWaalsContact CE-CD 3.43Å; K67-E84 WeakPolarHBondContact CE-OE1 3.4Å; K67-E84 IonicContact NZ-OE1 3.13Å; K67-E84 PolarHBondContact NZ-OE1 2.89Å; K67-E84 IonicContact NZ-OE2 2.7Å; K67-L87 HydrophobicContact CG-CD1 4.49Å
68A93.2Very high89.5Confident29 Ų2943.7 Ų43.724%0.2425%0.246CC..Hα-helixtrans-59.2-43.117700000112I8 L13 D64 F65 A66 H72I8-A68 HydrophobicContact CD1-CB 4.21Å; L13-A68 HydrophobicContact CD1-CB 4.28Å; D64-A68 PolarHBondContact O-N 3.44Å; F65-A68 WeakPolarHBondContact O-CB 3.38Å; F65-A68 PolarHBondContact O-N 2.64Å; A66-A68 PolarHBondContact O-N 3.31Å; A68-H72 VanDerWaalsContact O-CB 3.26Å; A68-H72 WeakPolarHBondContact O-CB 3.34Å; A68-H72 PolarHBondContact O-N 3Å
69V93.7Very high89.2Confident1 Ų150.7 Ų50.71%0.00628%0.277CS..Hα-helixtrans-65.1-45.9176.51720000112.4L13 I21 I39 F65 A66 K67 S71 H72 C73 L76L13-V69 HydrophobicContact CD2-CG2 4.1Å; I21-V69 HydrophobicContact CD1-CG1 3.58Å; I39-V69 HydrophobicContact CD1-CB 4.27Å; I39-V69 HydrophobicContact CD1-CG1 3.89Å; I39-V69 HydrophobicContact CG1-CB 4.43Å; I39-V69 HydrophobicContact CG1-CG1 3.9Å; F65-V69 HydrophobicContact CD1-CG2 4.09Å; F65-V69 HydrophobicContact CE1-CG2 3.63Å; F65-V69 HydrophobicContact CZ-CG2 3.93Å; F65-V69 WeakPolarHBondContact O-CG2 3.49Å; F65-V69 PolarHBondContact O-N 2.73Å; A66-V69 PolarHBondContact O-N 3.39Å; K67-V69 VanDerWaalsContact C-N 3.33Å; K67-V69 PolarHBondContact O-N 2.81Å; V69-S71 PolarHBondContact O-N 2.94Å; V69-H72 PolarHBondContact O-N 3.24Å; V69-C73 PolarHBondContact O-N 3.04Å; V69-L76 HydrophobicContact CG1-CD1 4.48Å
70F93.1Very high89Confident5 Ų546.9 Ų46.92%0.02228%0.277CS..Hα-helixtrans-66.2-36.3178.1-76.2-59.2000112.5V35 I39 A66 K67 C73 L76 L77 V83 I86V35-F70 HydrophobicContact CG1-CE1 3.97Å; V35-F70 HydrophobicContact CG1-CZ 4.23Å; I39-F70 HydrophobicContact CD1-CD1 4.44Å; I39-F70 HydrophobicContact CD1-CD2 4.05Å; I39-F70 HydrophobicContact CD1-CE1 4.01Å; I39-F70 HydrophobicContact CD1-CE2 3.58Å; I39-F70 HydrophobicContact CD1-CG 4.47Å; I39-F70 HydrophobicContact CD1-CZ 3.55Å; A66-F70 WeakPolarHBondContact O-CD2 3.45Å; A66-F70 PolarHBondContact O-N 3.26Å; K67-F70 PolarHBondContact O-N 2.88Å; F70-C73 CarbonylContact O-C 3.43Å; F70-C73 PolarHBondContact O-N 2.96Å; F70-L76 HydrophobicContact CD1-CB 4.06Å; F70-L76 HydrophobicContact CD1-CD1 4.34Å; F70-L76 HydrophobicContact CE1-CB 4.11Å; F70-L77 HydrophobicContact CB-CD1 3.98Å; F70-L77 HydrophobicContact CD1-CD1 3.73Å; F70-L77 HydrophobicContact CD1-CD2 3.81Å; F70-L77 HydrophobicContact CD1-CG 3.64Å; F70-L77 HydrophobicContact CE1-CD1 4.36Å; F70-L77 HydrophobicContact CE1-CD2 3.61Å; F70-L77 HydrophobicContact CE1-CG 4Å; F70-L77 HydrophobicContact CG-CD1 3.92Å; F70-L77 HydrophobicContact CG-CG 4.35Å; F70-L77 HydrophobicContact CZ-CD2 4.28Å; F70-V83 HydrophobicContact CB-CG2 3.96Å; F70-V83 HydrophobicContact CD2-CG1 3.78Å; F70-V83 HydrophobicContact CD2-CG2 4.2Å; F70-V83 HydrophobicContact CE2-CG1 4.41Å; F70-V83 HydrophobicContact CG-CG2 4.26Å; F70-I86 HydrophobicContact CE2-CG2 4.43Å; F70-I86 HydrophobicContact CZ-CG2 4.34Å
71S92Very high89Confident98 Ų9849.6 Ų49.669%0.68529%0.288SS*.Hα-helixtrans-67.4-34.8171.7-63.60000113.1K67 V69K67-S71 WeakPolarHBondContact O-CB 3.4Å; K67-S71 PolarHBondContact O-N 2.81Å; K67-S71 PolarHBondContact O-OG 3.4Å; K67-S71 VanDerWaalsContact O-OG 3.13Å; V69-S71 PolarHBondContact O-N 2.94Å
72H92Very high89.1Confident59 Ų5953.5 Ų53.527%0.27330%0.304SS..Hα-helixtrans-78.4-22.6177.4-168.984.3000113.1G10 L13 D14 A68 V69G10-H72 PolarHBondContact O-CE1 3Å; L13-H72 HydrophobicContact CB-CB 4.18Å; L13-H72 HydrophobicContact CD1-CB 3.73Å; D14-H72 IonicContact OD1-CD2 3.2Å; D14-H72 IonicContact OD1-CE1 2.73Å; D14-H72 PolarHBondContact OD1-CE1 3.19Å; D14-H72 IonicContact OD1-NE2 2.69Å; D14-H72 PolarHBondContact OD1-NE2 2.78Å; D14-H72 IonicContact OD2-NE2 3.2Å; A68-H72 VanDerWaalsContact O-CB 3.26Å; A68-H72 WeakPolarHBondContact O-CB 3.34Å; A68-H72 PolarHBondContact O-N 3Å; V69-H72 PolarHBondContact O-N 3.24Å
73C88.7Confident89.2Confident11 Ų1154 Ų547%0.07431%0.308CS..  trans-130.567.9178-74.70000112.5V69 F70 F75 L76V69-C73 PolarHBondContact O-N 3.04Å; F70-C73 CarbonylContact O-C 3.43Å; F70-C73 PolarHBondContact O-N 2.96Å; C73-F75 HydrophobicContact CB-CD1 4.2Å; C73-F75 HydrophobicContact CB-CE1 3.57Å; C73-F75 HydrophobicContact CB-CZ 4.14Å; C73-F75 PolarHBondContact O-N 3.05Å; C73-F75 VanDerWaalsContact O-N 3.07Å; C73-L76 HydrophobicContact CB-CD1 3.51Å; C73-L76 HydrophobicContact CB-CG 3.98Å; C73-L76 WeakPolarHBondContact O-CB 3.21Å; C73-L76 WeakPolarHBondContact O-CG 3.38Å; C73-L76 PolarHBondContact O-N 3.13Å; C73-L76 VanDerWaalsContact O-N 3.07Å
74P87Confident89.2Confident87 Ų8755.3 Ų55.357%0.56532%0.316SS*.G310 helixtrans-60.6-23.6-173.9-25.836.1000115.2L76 L77P74-L76 PolarHBondContact O-N 3.39Å; P74-L76 VanDerWaalsContact O-N 3.14Å; P74-L77 PolarHBondContact O-N 3.08Å
75F86.6Confident89.2Confident107 Ų10757.5 Ų57.547%0.46932%0.322SS..G310 helixtrans-63.6-15.5177.173.4-90.7000113.5L22 C73 L77L22-F75 HydrophobicContact CD2-CE1 4.11Å; L22-F75 HydrophobicContact CD2-CZ 3.52Å; C73-F75 HydrophobicContact CB-CD1 4.2Å; C73-F75 HydrophobicContact CB-CE1 3.57Å; C73-F75 HydrophobicContact CB-CZ 4.14Å; C73-F75 PolarHBondContact O-N 3.05Å; C73-F75 VanDerWaalsContact O-N 3.07Å; F75-L77 PolarHBondContact O-N 3.47Å
76L86.6Confident89.2Confident4 Ų457.8 Ų57.82%0.02132%0.323CS..G310 helixtrans-70.1-17.6173.6-63170.6000112.7I21 R29 V35 V69 F70 C73 P74 P78I21-L76 HydrophobicContact CG2-CD1 3.94Å; I21-L76 HydrophobicContact CG2-CD2 3.61Å; I21-L76 HydrophobicContact CG2-CG 4.44Å; R29-L76 HydrophobicContact CG-CD2 4.16Å; V35-L76 HydrophobicContact CG1-CD1 4.12Å; V35-L76 HydrophobicContact CG1-CD2 4.27Å; V35-L76 HydrophobicContact CG2-CD2 4.38Å; V69-L76 HydrophobicContact CG1-CD1 4.48Å; F70-L76 HydrophobicContact CD1-CB 4.06Å; F70-L76 HydrophobicContact CD1-CD1 4.34Å; F70-L76 HydrophobicContact CE1-CB 4.11Å; C73-L76 HydrophobicContact CB-CD1 3.51Å; C73-L76 HydrophobicContact CB-CG 3.98Å; C73-L76 WeakPolarHBondContact O-CB 3.21Å; C73-L76 WeakPolarHBondContact O-CG 3.38Å; C73-L76 PolarHBondContact O-N 3.13Å; C73-L76 VanDerWaalsContact O-N 3.07Å; P74-L76 PolarHBondContact O-N 3.39Å; P74-L76 VanDerWaalsContact O-N 3.14Å; L76-P78 VanDerWaalsContact C-CD 3.41Å; L76-P78 WeakPolarHBondContact O-CD 3.4Å
77L86.8Confident89.1Confident19 Ų1957.8 Ų57.810%0.09932%0.323CS..SBendtrans-120.765.5179-57.3-179.6000109.5A32 F70 P74 F75 Q79 G80 E81 V83 I86A32-L77 HydrophobicContact CB-CD2 3.97Å; F70-L77 HydrophobicContact CB-CD1 3.98Å; F70-L77 HydrophobicContact CD1-CD1 3.73Å; F70-L77 HydrophobicContact CD1-CD2 3.81Å; F70-L77 HydrophobicContact CD1-CG 3.64Å; F70-L77 HydrophobicContact CE1-CD1 4.36Å; F70-L77 HydrophobicContact CE1-CD2 3.61Å; F70-L77 HydrophobicContact CE1-CG 4Å; F70-L77 HydrophobicContact CG-CD1 3.92Å; F70-L77 HydrophobicContact CG-CG 4.35Å; F70-L77 HydrophobicContact CZ-CD2 4.28Å; P74-L77 PolarHBondContact O-N 3.08Å; F75-L77 PolarHBondContact O-N 3.47Å; L77-Q79 PolarHBondContact O-N 3.38Å; L77-G80 PolarHBondContact O-N 3.27Å; L77-E81 HydrophobicContact CD2-CB 4.46Å; L77-V83 HydrophobicContact CD1-CG2 3.63Å; L77-I86 HydrophobicContact CD2-CD1 3.46Å; L77-I86 VanDerWaalsContact CD2-CD1 3.46Å
78P79.1Confident89.1Confident102 Ų10258.9 Ų58.966%0.66233%0.332SS*.THydrogen-bonded Turntrans-63.7-14.3-167.226.8-36.3000114.5L76L76-P78 VanDerWaalsContact C-CD 3.41Å; L76-P78 WeakPolarHBondContact O-CD 3.4Å
79Q79.5Confident89.1Confident166 Ų16661.3 Ų61.378%0.77634%0.339SS*.THydrogen-bonded Turntrans-1022.6176.8-55.9-17647.300113.4L77 E81L77-Q79 PolarHBondContact O-N 3.38Å; Q79-E81 HydrophobicContact CB-CG 4.07Å
80G79.6Confident89Confident69 Ų6961.3 Ų61.371%0.71134%0.338SS*.  trans7236.9-175.600000113.3L77L77-G80 PolarHBondContact O-N 3.27Å
81E86.4Confident88.9Confident78 Ų7864.5 Ų64.536%0.36435%0.352SS..  trans-67149-174.3-60.4163.4112.800112.6L77 Q79 V83 I86L77-E81 HydrophobicContact CD2-CB 4.46Å; Q79-E81 HydrophobicContact CB-CG 4.07Å; E81-V83 PolarHBondContact O-N 3.18Å; E81-I86 HydrophobicContact CB-CD1 3.54Å
82D90.7Very high88.7Confident101 Ų10166.8 Ų66.854%0.5435%0.352SS..  trans-73.7117.8177.9-178.4-4.1000111.3E84 K85 I86D82-E84 VanDerWaalsContact C-N 3.33Å; D82-E84 PolarHBondContact O-N 2.76Å; D82-E84 PolarHBondContact OD1-N 2.84Å; D82-K85 HydrophobicContact CB-CB 3.95Å; D82-K85 PolarHBondContact O-N 2.96Å; D82-I86 WeakPolarHBondContact O-CG1 3.44Å; D82-I86 PolarHBondContact O-N 2.98Å
83V92.2Very high88.6Confident28 Ų2864.8 Ų64.817%0.1734%0.342CS..Hα-helixtrans-59.8-37.7179.2177.90000112.5K67 F70 L77 E81 I86 L87K67-V83 HydrophobicContact CG-CG1 3.77Å; F70-V83 HydrophobicContact CB-CG2 3.96Å; F70-V83 HydrophobicContact CD2-CG1 3.78Å; F70-V83 HydrophobicContact CD2-CG2 4.2Å; F70-V83 HydrophobicContact CE2-CG1 4.41Å; F70-V83 HydrophobicContact CG-CG2 4.26Å; L77-V83 HydrophobicContact CD1-CG2 3.63Å; E81-V83 PolarHBondContact O-N 3.18Å; V83-I86 PolarHBondContact O-N 3.31Å; V83-L87 HydrophobicContact CG1-CD1 3.85Å; V83-L87 HydrophobicContact CG1-CG 4.32Å; V83-L87 WeakPolarHBondContact O-CB 3.45Å; V83-L87 WeakPolarHBondContact O-CG 3.32Å; V83-L87 PolarHBondContact O-N 3.27Å
84E92.3Very high88.6Confident69 Ų6964.4 Ų64.432%0.32234%0.339SS..Hα-helixtrans-70.5-40179.4-71.3-80.7-153.500110.8R63 K67 D82 I86 L87 D88R63-E84 IonicContact CZ-OE2 3.47Å; R63-E84 IonicContact NH1-OE2 3.99Å; R63-E84 PolarHBondContact NH1-OE2 3.13Å; K67-E84 VanDerWaalsContact CE-CD 3.43Å; K67-E84 WeakPolarHBondContact CE-OE1 3.4Å; K67-E84 IonicContact NZ-OE1 3.13Å; K67-E84 PolarHBondContact NZ-OE1 2.89Å; K67-E84 IonicContact NZ-OE2 2.7Å; D82-E84 VanDerWaalsContact C-N 3.33Å; D82-E84 PolarHBondContact O-N 2.76Å; D82-E84 PolarHBondContact OD1-N 2.84Å; E84-I86 PolarHBondContact O-N 2.91Å; E84-L87 PolarHBondContact O-N 2.77Å; E84-D88 PolarHBondContact O-N 3.19Å
85K93.3Very high88.5Confident115 Ų11563.5 Ų63.550%0.533%0.328SS..Hα-helixtrans-60-44.8173.6-176.9176.5175.1-69.80111.5D82 L87 D88 E89D82-K85 HydrophobicContact CB-CB 3.95Å; D82-K85 PolarHBondContact O-N 2.96Å; K85-L87 VanDerWaalsContact C-N 3.34Å; K85-L87 PolarHBondContact O-N 2.9Å; K85-D88 PolarHBondContact O-N 3.15Å; K85-E89 WeakPolarHBondContact CE-OE1 3.38Å; K85-E89 IonicContact NZ-OE1 2.98Å; K85-E89 PolarHBondContact NZ-OE1 3Å; K85-E89 IonicContact NZ-OE2 2.56Å; K85-E89 WeakPolarHBondContact O-CB 3.38Å; K85-E89 WeakPolarHBondContact O-CG 3.37Å; K85-E89 PolarHBondContact O-N 3.48Å
86I92.5Very high88.6Confident5 Ų559.2 Ų59.23%0.02631%0.314CS..Hα-helixtrans-61.3-41.1174.5-74.4162.3000111.6A32 I33 C36 F70 L77 E81 D82 V83 E84 W90A32-I86 HydrophobicContact CB-CD1 3.65Å; A32-I86 HydrophobicContact CB-CG1 3.96Å; A32-I86 HydrophobicContact CB-CG2 3.8Å; I33-I86 HydrophobicContact CD1-CG2 4.34Å; C36-I86 VanDerWaalsContact SG-CG2 3.59Å; F70-I86 HydrophobicContact CE2-CG2 4.43Å; F70-I86 HydrophobicContact CZ-CG2 4.34Å; L77-I86 HydrophobicContact CD2-CD1 3.46Å; L77-I86 VanDerWaalsContact CD2-CD1 3.46Å; E81-I86 HydrophobicContact CB-CD1 3.54Å; D82-I86 WeakPolarHBondContact O-CG1 3.44Å; D82-I86 PolarHBondContact O-N 2.98Å; V83-I86 PolarHBondContact O-N 3.31Å; E84-I86 PolarHBondContact O-N 2.91Å; I86-W90 WeakPolarHBondContact O-CB 3.09Å; I86-W90 PolarHBondContact O-N 2.9Å
87L93.3Very high88.9Confident0 Ų059.3 Ų59.30%032%0.315CS..Hα-helixtrans-71.3-28.7178.9-72.6171.3000113.1R63 A66 K67 V83 E84 K85 W90 K91R63-L87 HydrophobicContact CB-CD1 4.21Å; R63-L87 HydrophobicContact CG-CD1 4.19Å; A66-L87 HydrophobicContact CB-CD1 4.24Å; A66-L87 HydrophobicContact CB-CD2 3.72Å; K67-L87 HydrophobicContact CG-CD1 4.49Å; V83-L87 HydrophobicContact CG1-CD1 3.85Å; V83-L87 HydrophobicContact CG1-CG 4.32Å; V83-L87 WeakPolarHBondContact O-CB 3.45Å; V83-L87 WeakPolarHBondContact O-CG 3.32Å; V83-L87 PolarHBondContact O-N 3.27Å; E84-L87 PolarHBondContact O-N 2.77Å; K85-L87 VanDerWaalsContact C-N 3.34Å; K85-L87 PolarHBondContact O-N 2.9Å; L87-W90 HydrophobicContact CD2-CE3 3.83Å; L87-W90 HydrophobicContact CD2-CZ3 4.14Å; L87-K91 VanDerWaalsContact O-CB 3.28Å; L87-K91 WeakPolarHBondContact O-CB 3.32Å; L87-K91 PolarHBondContact O-N 3.38Å; L87-K91 VanDerWaalsContact O-N 3.08Å
88D92.8Very high89.2Confident83 Ų8359.9 Ų59.944%0.44432%0.32SS..Hα-helixtrans-74.3-47.5172.6-75-11.6000111.4R63 E84 K85 W90 K91 E92R63-D88 IonicContact CZ-OD1 2.75Å; R63-D88 IonicContact NH1-OD1 3.58Å; R63-D88 PolarHBondContact NH1-OD1 2.76Å; R63-D88 IonicContact NH2-OD1 3.9Å; R63-D88 PolarHBondContact NH2-OD1 2.87Å; E84-D88 PolarHBondContact O-N 3.19Å; K85-D88 PolarHBondContact O-N 3.15Å; D88-W90 VanDerWaalsContact C-N 3.33Å; D88-W90 PolarHBondContact O-N 2.79Å; D88-K91 WeakPolarHBondContact O-CB 3.27Å; D88-K91 PolarHBondContact O-N 3.15Å; D88-E92 PolarHBondContact O-N 2.86Å
89E92.3Very high90.1Very high81 Ų8155.2 Ų55.238%0.37929%0.289SS..Hα-helixtrans-61.3-40.4174-74174.1175.400111.9I33 K85 E92 Y93I33-E89 HydrophobicContact CD1-CB 3.72Å; K85-E89 WeakPolarHBondContact CE-OE1 3.38Å; K85-E89 IonicContact NZ-OE1 2.98Å; K85-E89 PolarHBondContact NZ-OE1 3Å; K85-E89 IonicContact NZ-OE2 2.56Å; K85-E89 WeakPolarHBondContact O-CB 3.38Å; K85-E89 WeakPolarHBondContact O-CG 3.37Å; K85-E89 PolarHBondContact O-N 3.48Å; E89-E92 PolarHBondContact O-N 3.3Å; E89-Y93 WeakPolarHBondContact O-CB 3.27Å; E89-Y93 PolarHBondContact O-N 3.02Å
90W92.3Very high90.9Very high1 Ų148.5 Ų48.50%0.00426%0.257CS..Hα-helixtrans-65.4-39.6175.1174.959.1000111.7I33 C36 F37 E40 I62 I86 L87 D88 K94 F365I33-W90 HydrophobicContact CD1-CB 4.09Å; I33-W90 HydrophobicContact CG2-CB 4.26Å; I33-W90 HydrophobicContact CG2-CG 4.48Å; C36-W90 HydrophobicContact CB-CB 4.15Å; C36-W90 HydrophobicContact CB-CD2 3.39Å; C36-W90 HydrophobicContact CB-CE3 3.91Å; C36-W90 HydrophobicContact CB-CG 3.46Å; C36-W90 VanDerWaalsContact CB-CG 3.46Å; C36-W90 HydrophobicContact CB-CZ2 4.21Å; C36-W90 WeakPolarHBondContact O-CZ2 3.4Å; F37-W90 AromaticContact CD1-CE2 3.95Å; F37-W90 HydrophobicContact CD1-CZ2 4.11Å; F37-W90 AromaticContact CD1-NE1 3.17Å; F37-W90 AromaticContact CD2-NE1 3.89Å; F37-W90 AromaticContact CE1-CD1 3.81Å; F37-W90 AromaticContact CE1-CE2 3.96Å; F37-W90 HydrophobicContact CE1-CZ2 4.4Å; F37-W90 AromaticContact CE1-NE1 3Å; F37-W90 AromaticContact CE2-CD1 3.9Å; F37-W90 AromaticContact CE2-NE1 3.75Å; F37-W90 AromaticContact CG-NE1 3.63Å; F37-W90 AromaticContact CZ-CD1 3.63Å; F37-W90 AromaticContact CZ-NE1 3.32Å; F37-W90 VanDerWaalsContact CZ-NE1 3.32Å; E40-W90 HydrophobicContact CB-CH2 4.05Å; E40-W90 HydrophobicContact CB-CZ2 4.04Å; E40-W90 VanDerWaalsContact OE2-CZ2 3.23Å; E40-W90 WeakPolarHBondContact OE2-CZ2 3.41Å; I62-W90 HydrophobicContact CD1-CH2 4.28Å; I62-W90 HydrophobicContact CG1-CH2 3.81Å; I62-W90 HydrophobicContact CG1-CZ3 3.85Å; I86-W90 WeakPolarHBondContact O-CB 3.09Å; I86-W90 PolarHBondContact O-N 2.9Å; L87-W90 HydrophobicContact CD2-CE3 3.83Å; L87-W90 HydrophobicContact CD2-CZ3 4.14Å; D88-W90 VanDerWaalsContact C-N 3.33Å; D88-W90 PolarHBondContact O-N 2.79Å; W90-K94 HydrophobicContact CZ2-CD 4.12Å; W90-K94 WeakPolarHBondContact O-CB 3.34Å; W90-K94 PolarHBondContact O-N 2.8Å; W90-F365 HydrophobicContact CD2-CZ 4.48Å; W90-F365 HydrophobicContact CE3-CE1 4.46Å; W90-F365 HydrophobicContact CE3-CE2 4.32Å; W90-F365 AromaticContact CE3-CZ 3.55Å; W90-F365 HydrophobicContact CE3-CZ 3.55Å; W90-F365 HydrophobicContact CH2-CZ 4.35Å; W90-F365 HydrophobicContact CZ3-CE1 4.2Å; W90-F365 HydrophobicContact CZ3-CE2 4.21Å; W90-F365 AromaticContact CZ3-CZ 3.47Å; W90-F365 HydrophobicContact CZ3-CZ 3.47Å; W90-F365 VanDerWaalsContact CZ3-CZ 3.47Å
91K90.2Very high91.8Very high72 Ų7245.2 Ų45.231%0.31322%0.223SC..Hα-helixtrans-62.9-45.2173.4178.9178.9175.5-173.10111.5L87 D88 K94 M95 F365L87-K91 VanDerWaalsContact O-CB 3.28Å; L87-K91 WeakPolarHBondContact O-CB 3.32Å; L87-K91 PolarHBondContact O-N 3.38Å; L87-K91 VanDerWaalsContact O-N 3.08Å; D88-K91 WeakPolarHBondContact O-CB 3.27Å; D88-K91 PolarHBondContact O-N 3.15Å; K91-K94 PolarHBondContact O-N 3.04Å; K91-M95 VanDerWaalsContact O-CG 3.32Å; K91-M95 WeakPolarHBondContact O-CG 3.49Å; K91-M95 PolarHBondContact O-N 3.4Å; K91-F365 HydrophobicContact CB-CD2 4.16Å; K91-F365 HydrophobicContact CB-CE1 4.44Å; K91-F365 HydrophobicContact CB-CE2 3.59Å; K91-F365 HydrophobicContact CB-CZ 3.73Å; K91-F365 HydrophobicContact CD-CB 4.34Å; K91-F365 HydrophobicContact CD-CD1 4.32Å; K91-F365 HydrophobicContact CD-CD2 3.96Å; K91-F365 HydrophobicContact CD-CE2 4.22Å; K91-F365 HydrophobicContact CD-CG 3.99Å; K91-F365 HydrophobicContact CD-CZ 4.5Å; K91-F365 HydrophobicContact CG-CD2 3.7Å; K91-F365 HydrophobicContact CG-CE2 3.66Å; K91-F365 HydrophobicContact CG-CG 4.25Å; K91-F365 HydrophobicContact CG-CZ 4.18Å
92E89.5Confident92.4Very high145 Ų14541.5 Ų41.568%0.67821%0.206SC*.Hα-helixtrans-63.1-51.1178.8-178.8164-149.600111.7D88 E89 K94 M95 G96D88-E92 PolarHBondContact O-N 2.86Å; E89-E92 PolarHBondContact O-N 3.3Å; E92-K94 VanDerWaalsContact C-N 3.32Å; E92-K94 PolarHBondContact O-N 2.85Å; E92-M95 WeakPolarHBondContact O-CB 3.45Å; E92-M95 PolarHBondContact O-N 3.24Å; E92-M95 VanDerWaalsContact O-N 3.16Å; E92-G96 PolarHBondContact O-N 2.88Å; E92-G96 VanDerWaalsContact O-N 3.14Å
93Y89.1Confident92.8Very high17 Ų1736.7 Ų36.77%0.06718%0.18CC..Hα-helixtrans-58-45.3174.4171.8-107.1000111.5I33 F37 E89 M95 G96 V97 I415 I418I33-Y93 HydrophobicContact CG2-CD1 4.07Å; F37-Y93 AromaticContact CE2-CD1 3.9Å; F37-Y93 HydrophobicContact CE2-CD1 3.9Å; F37-Y93 AromaticContact CE2-CE1 3.7Å; F37-Y93 HydrophobicContact CE2-CE1 3.7Å; F37-Y93 AromaticContact CZ-CD1 3.6Å; F37-Y93 HydrophobicContact CZ-CD1 3.6Å; F37-Y93 AromaticContact CZ-CE1 3.5Å; F37-Y93 HydrophobicContact CZ-CE1 3.5Å; F37-Y93 VanDerWaalsContact CZ-CE1 3.5Å; E89-Y93 WeakPolarHBondContact O-CB 3.27Å; E89-Y93 PolarHBondContact O-N 3.02Å; Y93-M95 VanDerWaalsContact C-N 3.31Å; Y93-M95 PolarHBondContact O-N 2.86Å; Y93-G96 PolarHBondContact O-N 2.87Å; Y93-G96 VanDerWaalsContact O-N 3.09Å; Y93-V97 HydrophobicContact CE1-CG2 3.95Å; Y93-V97 HydrophobicContact CE2-CG2 4.33Å; Y93-V97 WeakPolarHBondContact O-CG2 3.34Å; Y93-V97 PolarHBondContact O-N 3.43Å; Y93-I415 HydrophobicContact CD1-CD1 3.89Å; Y93-I415 HydrophobicContact CD2-CD1 3.77Å; Y93-I415 HydrophobicContact CD2-CG1 4.43Å; Y93-I415 HydrophobicContact CE1-CD1 3.5Å; Y93-I415 VanDerWaalsContact CE1-CD1 3.5Å; Y93-I415 HydrophobicContact CE1-CG1 4.32Å; Y93-I415 HydrophobicContact CE2-CB 4.38Å; Y93-I415 HydrophobicContact CE2-CD1 3.37Å; Y93-I415 HydrophobicContact CE2-CG1 3.65Å; Y93-I415 HydrophobicContact CG-CD1 4.04Å; Y93-I418 HydrophobicContact CD2-CD1 4.2Å; Y93-I418 HydrophobicContact CE2-CD1 4.15Å
94K88Confident93Very high4 Ų435.3 Ų35.32%0.01717%0.172CC..Hα-helixtrans-60-38177.9178.2169.7173.6171.20112F37 E40 W90 K91 E92 V97 K130 L361 Q362 D363 F365F37-K94 HydrophobicContact CE1-CB 4.49Å; F37-K94 HydrophobicContact CE1-CD 4.5Å; E40-K94 IonicContact OE1-NZ 3.95Å; E40-K94 PolarHBondContact OE1-NZ 3.13Å; E40-K94 IonicContact OE2-NZ 2.93Å; E40-K94 PolarHBondContact OE2-NZ 3.08Å; W90-K94 HydrophobicContact CZ2-CD 4.12Å; W90-K94 WeakPolarHBondContact O-CB 3.34Å; W90-K94 PolarHBondContact O-N 2.8Å; K91-K94 PolarHBondContact O-N 3.04Å; E92-K94 VanDerWaalsContact C-N 3.32Å; E92-K94 PolarHBondContact O-N 2.85Å; K94-V97 PolarHBondContact O-N 3.08Å; K94-K130 PolarHBondContact O-NZ 2.94Å; K94-L361 HydrophobicContact CD-CD1 3.84Å; K94-L361 HydrophobicContact CD-CG 4.32Å; K94-L361 HydrophobicContact CG-CD1 4.25Å; K94-L361 HydrophobicContact CG-CD2 4.25Å; K94-L361 HydrophobicContact CG-CG 4.24Å; K94-Q362 WeakPolarHBondContact CE-O 3.49Å; K94-Q362 PolarHBondContact NZ-O 2.95Å; K94-D363 WeakPolarHBondContact CE-OD1 3.45Å; K94-F365 HydrophobicContact CD-CE2 4.21Å
95M86Confident93.3Very high67 Ų6732 Ų3233%0.3316%0.157SC..Hα-helixtrans-63.1-41.6173.8-76.6-64-56.500111.8K91 E92 Y93 V97 Q170K91-M95 VanDerWaalsContact O-CG 3.32Å; K91-M95 WeakPolarHBondContact O-CG 3.49Å; K91-M95 PolarHBondContact O-N 3.4Å; E92-M95 WeakPolarHBondContact O-CB 3.45Å; E92-M95 PolarHBondContact O-N 3.24Å; E92-M95 VanDerWaalsContact O-N 3.16Å; Y93-M95 VanDerWaalsContact C-N 3.31Å; Y93-M95 PolarHBondContact O-N 2.86Å; M95-V97 VanDerWaalsContact C-N 3.3Å; M95-V97 PolarHBondContact O-N 2.61Å; M95-Q170 WeakPolarHBondContact O-CB 3.41Å; M95-Q170 PolarHBondContact O-NE2 2.94Å
96G88.5Confident93.5Very high17 Ų1726.7 Ų26.718%0.17513%0.133CC..Hα-helixtrans-67.6-20.2-179.700000115.8E92 Y93 P98E92-G96 PolarHBondContact O-N 2.88Å; E92-G96 VanDerWaalsContact O-N 3.14Å; Y93-G96 PolarHBondContact O-N 2.87Å; Y93-G96 VanDerWaalsContact O-N 3.09Å; G96-P98 WeakPolarHBondContact O-CD 3.49Å
97V91.5Very high93.6Very high7 Ų732.4 Ų32.44%0.04216%0.16CC..SBendtrans-59.8124.9-177.9-178.60000111.6Y93 K94 M95 K130 V131 L361Y93-V97 HydrophobicContact CE1-CG2 3.95Å; Y93-V97 HydrophobicContact CE2-CG2 4.33Å; Y93-V97 WeakPolarHBondContact O-CG2 3.34Å; Y93-V97 PolarHBondContact O-N 3.43Å; K94-V97 PolarHBondContact O-N 3.08Å; M95-V97 VanDerWaalsContact C-N 3.3Å; M95-V97 PolarHBondContact O-N 2.61Å; V97-K130 HydrophobicContact CB-CD 4.09Å; V97-K130 HydrophobicContact CB-CG 4.44Å; V97-K130 HydrophobicContact CG1-CB 3.86Å; V97-K130 HydrophobicContact CG1-CD 4.22Å; V97-K130 HydrophobicContact CG1-CG 4.14Å; V97-V131 HydrophobicContact CG1-CG1 4.37Å; V97-L361 HydrophobicContact CG2-CD2 4.42Å
98P95.2Very high93.7Very high30 Ų3036.1 Ų36.120%0.19518%0.183CC..  trans-56.9143.1178.4-27.735.9000114.2G96 Y100 V131 L171G96-P98 WeakPolarHBondContact O-CD 3.49Å; P98-Y100 HydrophobicContact CB-CE2 4.07Å; P98-V131 HydrophobicContact CB-CG1 4.17Å; P98-V131 HydrophobicContact CG-CG1 4.44Å; P98-V131 PolarHBondContact O-N 3.43Å; P98-L171 CarbonylContact C-O 3.6Å; P98-L171 WeakPolarHBondContact CA-O 3.32Å; P98-L171 HydrophobicContact CB-CB 4.33Å; P98-L171 HydrophobicContact CB-CD2 4.06Å
99T96.1Very high93.8Very high4 Ų433.8 Ų33.83%0.02517%0.17CC..EExtended strand (participates in β ladder)trans-114139.3176.256.60000113G129 K130 Q170 L171 A172 R173T99-G129 CarbonylContact C-O 3.33Å; T99-G129 WeakPolarHBondContact CA-O 3.34Å; T99-G129 VanDerWaalsContact CB-O 3.31Å; T99-G129 WeakPolarHBondContact CB-O 3.33Å; T99-K130 HydrophobicContact CG2-CG 3.63Å; T99-Q170 HydrophobicContact CG2-CG 4.46Å; T99-L171 PolarHBondContact N-O 3.24Å; T99-L171 PolarHBondContact OG1-O 2.94Å; T99-A172 WeakPolarHBondContact O-CA 3.25Å; T99-A172 WeakPolarHBondContact OG1-CB 3.36Å; T99-R173 PolarHBondContact O-N 3.44Å
100Y97.8Very high93.9Very high25 Ų2535.8 Ų35.810%0.09818%0.18CC..EExtended strand (participates in β ladder)trans-130.4143.2177.6-58.7-70.9000110.9P98 K128 G129 V131 P137 C140 L171 R173P98-Y100 HydrophobicContact CB-CE2 4.07Å; Y100-K128 VanDerWaalsContact O-CA 3.3Å; Y100-K128 WeakPolarHBondContact O-CA 3.27Å; Y100-K128 WeakPolarHBondContact O-CB 3.39Å; Y100-G129 PolarHBondContact N-O 3.21Å; Y100-G129 PolarHBondContact O-N 2.75Å; Y100-G129 VanDerWaalsContact O-N 3.13Å; Y100-V131 HydrophobicContact CD2-CB 3.81Å; Y100-V131 HydrophobicContact CD2-CG2 3.98Å; Y100-V131 HydrophobicContact CE2-CB 3.69Å; Y100-V131 HydrophobicContact CE2-CG1 4.21Å; Y100-V131 HydrophobicContact CE2-CG2 3.76Å; Y100-P137 WeakPolarHBondContact CB-O 3.45Å; Y100-P137 HydrophobicContact CD1-CB 3.71Å; Y100-P137 HydrophobicContact CD2-CB 4.48Å; Y100-P137 HydrophobicContact CE1-CB 3.54Å; Y100-P137 HydrophobicContact CE1-CG 3.93Å; Y100-P137 HydrophobicContact CE2-CB 4.31Å; Y100-P137 HydrophobicContact CE2-CG 4.31Å; Y100-P137 HydrophobicContact CG-CB 4.21Å; Y100-C140 HydrophobicContact CD2-CB 3.85Å; Y100-C140 HydrophobicContact CG-CB 4.24Å; Y100-L171 HydrophobicContact CE1-CD2 3.98Å; Y100-R173 WeakPolarHBondContact CA-O 3.41Å; Y100-R173 HydrophobicContact CD1-CB 3.72Å; Y100-R173 HydrophobicContact CD1-CG 4.23Å; Y100-R173 HydrophobicContact CE1-CB 3.82Å; Y100-R173 HydrophobicContact CE1-CG 4.42Å
101G98.1Very high94.2Very high0 Ų036.5 Ų36.50%018%0.184CC..EExtended strand (participates in β ladder)trans-174.8-156.2-17700000112.6P127 R173 L174 Y175G101-P127 VanDerWaalsContact CA-O 3.25Å; G101-P127 WeakPolarHBondContact CA-O 3.45Å; G101-R173 PolarHBondContact N-O 3.43Å; G101-L174 WeakPolarHBondContact O-CA 3.42Å; G101-Y175 PolarHBondContact O-N 2.91Å
102A98.5Very high94.5Very high0 Ų033.1 Ų33.10%017%0.169CC..EExtended strand (participates in β ladder)trans-139.4147-176.300000115.2I104 P127 V145 I153 Y175 I177A102-I104 HydrophobicContact CB-CG1 4.06Å; A102-P127 PolarHBondContact N-O 2.9Å; A102-V145 HydrophobicContact CB-CG2 3.77Å; A102-I153 HydrophobicContact CB-CD1 3.82Å; A102-Y175 CarbonylContact C-O 3.51Å; A102-Y175 VanDerWaalsContact CA-O 3.23Å; A102-Y175 WeakPolarHBondContact CA-O 3.37Å; A102-I177 HydrophobicContact CB-CG1 3.85Å
103I98.5Very high94.9Very high0 Ų026.2 Ų26.20%014%0.137CC..EExtended strand (participates in β ladder)trans-9496.5159.1-59.5177.8000106.5L105 V112 F126 I163 L174 Y175 I177 F231 L235I103-L105 HydrophobicContact CG2-CD2 4.34Å; I103-L105 HydrophobicContact CG2-CG 4.37Å; I103-V112 HydrophobicContact CG2-CG1 3.68Å; I103-F126 HydrophobicContact CB-CD1 4.29Å; I103-F126 HydrophobicContact CB-CE1 4.24Å; I103-F126 HydrophobicContact CD1-CZ 4.49Å; I103-F126 HydrophobicContact CG1-CD1 3.87Å; I103-F126 HydrophobicContact CG1-CE1 3.89Å; I103-F126 HydrophobicContact CG1-CG 4.2Å; I103-F126 HydrophobicContact CG1-CZ 4.26Å; I103-F126 HydrophobicContact CG2-CD1 4.34Å; I103-F126 HydrophobicContact CG2-CE1 3.84Å; I103-F126 HydrophobicContact CG2-CZ 4.49Å; I103-I163 HydrophobicContact CD1-CD1 3.61Å; I103-I163 HydrophobicContact CD1-CG1 4.22Å; I103-L174 HydrophobicContact CD1-CB 4.28Å; I103-L174 HydrophobicContact CD1-CD1 4.29Å; I103-L174 HydrophobicContact CG1-CB 3.83Å; I103-L174 HydrophobicContact CG1-CD1 3.87Å; I103-Y175 PolarHBondContact N-O 2.91Å; I103-I177 PolarHBondContact O-N 3.36Å; I103-F231 HydrophobicContact CD1-CB 4.28Å; I103-L235 HydrophobicContact CD1-CB 4.47Å; I103-L235 HydrophobicContact CD1-CD1 4.31Å; I103-L235 HydrophobicContact CD1-CD2 4.49Å; I103-L235 HydrophobicContact CG2-CD1 3.84Å; I103-L235 HydrophobicContact CG2-CD2 3.71Å; I103-L235 HydrophobicContact CG2-CG 4.4Å
104I98.2Very high95.3Very high0 Ų025.4 Ų25.40%013%0.134CC..EExtended strand (participates in β ladder)trans-84.7125.2175.4-60.4166.7000108.6A102 V112 L113 P127 V145 F151 I177 V180 W199A102-I104 HydrophobicContact CB-CG1 4.06Å; I104-V112 CarbonylContact O-C 3.59Å; I104-V112 VanDerWaalsContact O-CA 3.25Å; I104-V112 WeakPolarHBondContact O-CA 3.47Å; I104-L113 HydrophobicContact CB-CB 3.99Å; I104-L113 HydrophobicContact CD1-CD2 3.96Å; I104-L113 HydrophobicContact CG2-CB 4.34Å; I104-L113 PolarHBondContact O-N 2.88Å; I104-P127 HydrophobicContact CD1-CG 4.38Å; I104-V145 HydrophobicContact CD1-CG1 3.84Å; I104-F151 HydrophobicContact CD1-CD1 4.32Å; I104-I177 HydrophobicContact CG1-CB 4.21Å; I104-I177 HydrophobicContact CG1-CG2 4.44Å; I104-V180 HydrophobicContact CG2-CB 3.84Å; I104-V180 HydrophobicContact CG2-CG1 4.21Å; I104-V180 HydrophobicContact CG2-CG2 3.66Å; I104-W199 HydrophobicContact CG2-CH2 3.96Å; I104-W199 HydrophobicContact CG2-CZ3 4.37Å
105L97.9Very high95.6Very high0 Ų025.7 Ų25.70%014%0.135CC..EExtended strand (participates in β ladder)trans-110.8146.2177.7-59.1159.4000110.4I103 L109 N111 V112 I176 I177 P178 G179 V180 I202 L235 W238 L239I103-L105 HydrophobicContact CG2-CD2 4.34Å; I103-L105 HydrophobicContact CG2-CG 4.37Å; L105-L109 HydrophobicContact CB-CD2 4Å; L105-L109 HydrophobicContact CD1-CD2 4.13Å; L105-N111 WeakPolarHBondContact CA-O 3.39Å; L105-V112 HydrophobicContact CD2-CG1 3.48Å; L105-V112 VanDerWaalsContact CD2-CG1 3.48Å; L105-V112 HydrophobicContact CG-CG1 4.47Å; L105-I176 HydrophobicContact CD1-CG2 3.75Å; L105-I177 PolarHBondContact N-O 3.3Å; L105-P178 HydrophobicContact CD1-CB 4.43Å; L105-G179 PolarHBondContact O-N 3.5Å; L105-V180 PolarHBondContact O-N 2.92Å; L105-I202 HydrophobicContact CD2-CD1 3.5Å; L105-L235 HydrophobicContact CD1-CD1 4.5Å; L105-L235 HydrophobicContact CD2-CD1 4.4Å; L105-L235 HydrophobicContact CD2-CD2 4.44Å; L105-W238 HydrophobicContact CD1-CZ3 4.12Å; L105-L239 HydrophobicContact CD1-CD2 4.24Å
106D96.7Very high96Very high2 Ų223 Ų231%0.01112%0.122CC..EExtended strand (participates in β ladder)trans-75.9174.8174.473.5-7.9000113.2T108 L109 E110 N111 V180 K182 W199D106-T108 VanDerWaalsContact CG-OG1 3.29Å; D106-T108 PolarHBondContact O-N 3.07Å; D106-T108 VanDerWaalsContact O-N 3.14Å; D106-T108 PolarHBondContact OD1-N 3.23Å; D106-T108 PolarHBondContact OD1-OG1 2.86Å; D106-T108 PolarHBondContact OD2-OG1 2.81Å; D106-L109 PolarHBondContact O-N 3.23Å; D106-L109 PolarHBondContact OD1-N 3.27Å; D106-E110 PolarHBondContact OD1-N 2.78Å; D106-N111 PolarHBondContact N-O 2.91Å; D106-N111 PolarHBondContact OD1-N 3.47Å; D106-N111 WeakPolarHBondContact OD2-CB 3.28Å; D106-N111 PolarHBondContact OD2-ND2 3.47Å; D106-V180 WeakPolarHBondContact CA-O 3.47Å; D106-K182 HydrophobicContact CB-CG 4.42Å; D106-K182 WeakPolarHBondContact OD2-CD 3.46Å; D106-K182 VanDerWaalsContact OD2-CE 3.25Å; D106-K182 WeakPolarHBondContact OD2-CE 3.36Å; D106-K182 IonicContact OD2-NZ 2.68Å; D106-K182 PolarHBondContact OD2-NZ 2.88Å; D106-W199 HydrophobicContact CB-CE3 4.16Å; D106-W199 HydrophobicContact CB-CH2 3.81Å; D106-W199 HydrophobicContact CB-CZ2 4.24Å; D106-W199 HydrophobicContact CB-CZ3 3.78Å
107E95.2Very high95.9Very high126 Ų12623.1 Ų23.159%0.58912%0.123SC*.THydrogen-bonded Turntrans-55.8-27178.8-66.8163.8103.500114.2V180 P181 K182E107-V180 PolarHBondContact N-O 2.91Å; E107-P181 WeakPolarHBondContact OE2-CA 3.07Å; E107-K182 PolarHBondContact OE2-N 3.13Å
108T94.9Very high95.4Very high78 Ų7827.6 Ų27.648%0.47914%0.14SC..THydrogen-bonded Turntrans-85-13.617763.60000113.5D106 E110D106-T108 VanDerWaalsContact CG-OG1 3.29Å; D106-T108 PolarHBondContact O-N 3.07Å; D106-T108 VanDerWaalsContact O-N 3.14Å; D106-T108 PolarHBondContact OD1-N 3.23Å; D106-T108 PolarHBondContact OD1-OG1 2.86Å; D106-T108 PolarHBondContact OD2-OG1 2.81Å; T108-E110 PolarHBondContact O-N 2.96Å; T108-E110 VanDerWaalsContact O-N 3.11Å; T108-E110 WeakPolarHBondContact OG1-CB 3.25Å; T108-E110 PolarHBondContact OG1-N 3.25Å
109L95.1Very high94.3Very high34 Ų3428.5 Ų28.518%0.17814%0.143CC..SBendtrans607.8-169.9-48.9173.2000114.5L105 D106 P178 I202 L239 F243L105-L109 HydrophobicContact CB-CD2 4Å; L105-L109 HydrophobicContact CD1-CD2 4.13Å; D106-L109 PolarHBondContact O-N 3.23Å; D106-L109 PolarHBondContact OD1-N 3.27Å; L109-P178 HydrophobicContact CD2-CB 3.69Å; L109-I202 VanDerWaalsContact O-CD1 3.3Å; L109-I202 WeakPolarHBondContact O-CD1 3.4Å; L109-L239 HydrophobicContact CB-CD2 4.05Å; L109-F243 HydrophobicContact CD1-CD1 4.06Å; L109-F243 HydrophobicContact CD1-CD2 3.77Å; L109-F243 HydrophobicContact CD1-CE1 3.73Å; L109-F243 HydrophobicContact CD1-CE2 3.44Å; L109-F243 VanDerWaalsContact CD1-CE2 3.44Å; L109-F243 HydrophobicContact CD1-CG 4.09Å; L109-F243 HydrophobicContact CD1-CZ 3.42Å; L109-F243 VanDerWaalsContact CD1-CZ 3.42Å
110E95.3Very high93.2Very high123 Ų12330.6 Ų30.658%0.57516%0.161SC*.SBendtrans-84.8-18.8178.8-62.1177.9164.800113D106 T108 S201 I202D106-E110 PolarHBondContact OD1-N 2.78Å; T108-E110 PolarHBondContact O-N 2.96Å; T108-E110 VanDerWaalsContact O-N 3.11Å; T108-E110 WeakPolarHBondContact OG1-CB 3.25Å; T108-E110 PolarHBondContact OG1-N 3.25Å; E110-S201 CarbonylContact O-C 3.51Å; E110-S201 WeakPolarHBondContact O-CA 3.49Å; E110-I202 WeakPolarHBondContact O-CG1 3.43Å; E110-I202 PolarHBondContact O-N 3.31Å
111N97Very high91.9Very high16 Ų1634.7 Ų34.79%0.08618%0.179CC..EExtended strand (participates in β ladder)trans-128.6140.3-171.6-51.8-96.4000111.8L105 D106 K182 W199 F200 S201L105-N111 WeakPolarHBondContact CA-O 3.39Å; D106-N111 PolarHBondContact N-O 2.91Å; D106-N111 PolarHBondContact OD1-N 3.47Å; D106-N111 WeakPolarHBondContact OD2-CB 3.28Å; D106-N111 PolarHBondContact OD2-ND2 3.47Å; N111-K182 PolarHBondContact ND2-NZ 3.2Å; N111-W199 HydrophobicContact CB-CB 4.5Å; N111-W199 HydrophobicContact CB-CE3 4.23Å; N111-F200 CarbonylContact C-O 3.1Å; N111-F200 VanDerWaalsContact CA-O 3.32Å; N111-F200 WeakPolarHBondContact CA-O 3.43Å; N111-S201 VanDerWaalsContact OD1-CA 3.25Å; N111-S201 WeakPolarHBondContact OD1-CA 3.36Å; N111-S201 WeakPolarHBondContact OD1-CB 3.49Å; N111-S201 PolarHBondContact OD1-N 3.24Å
112V97.7Very high90.8Very high0 Ų037.7 Ų37.70%020%0.2CC..EExtended strand (participates in β ladder)trans-107.2146.7172.1-75.50000112.1I103 I104 L105 L114 F126 W199 F200 I202 L205 L235I103-V112 HydrophobicContact CG2-CG1 3.68Å; I104-V112 CarbonylContact O-C 3.59Å; I104-V112 VanDerWaalsContact O-CA 3.25Å; I104-V112 WeakPolarHBondContact O-CA 3.47Å; L105-V112 HydrophobicContact CD2-CG1 3.48Å; L105-V112 VanDerWaalsContact CD2-CG1 3.48Å; L105-V112 HydrophobicContact CG-CG1 4.47Å; V112-L114 HydrophobicContact CG2-CD2 4.33Å; V112-L114 HydrophobicContact CG2-CG 4.32Å; V112-F126 HydrophobicContact CB-CE1 3.93Å; V112-F126 HydrophobicContact CG1-CE1 3.98Å; V112-F126 HydrophobicContact CG2-CE1 4.11Å; V112-W199 VanDerWaalsContact C-CE3 3.47Å; V112-W199 CarbonylContact O-C 3.33Å; V112-W199 WeakPolarHBondContact O-CA 3.23Å; V112-F200 HydrophobicContact CG2-CB 4.46Å; V112-F200 WeakPolarHBondContact CG2-O 3.08Å; V112-F200 PolarHBondContact N-O 2.87Å; V112-F200 PolarHBondContact O-N 3.32Å; V112-I202 HydrophobicContact CG1-CD1 3.95Å; V112-I202 HydrophobicContact CG1-CG1 3.88Å; V112-I202 HydrophobicContact CG2-CG1 4.21Å; V112-L205 HydrophobicContact CG2-CD1 3.42Å; V112-L205 VanDerWaalsContact CG2-CD1 3.42Å; V112-L235 HydrophobicContact CG1-CD2 3.65Å
113L97.8Very high90.4Very high1 Ų139 Ų391%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-79.5126168.8-160.176.3000110.1I104 T149 F186 I197 W199I104-L113 HydrophobicContact CB-CB 3.99Å; I104-L113 HydrophobicContact CD1-CD2 3.96Å; I104-L113 HydrophobicContact CG2-CB 4.34Å; I104-L113 PolarHBondContact O-N 2.88Å; L113-T149 HydrophobicContact CD2-CG2 4.18Å; L113-F186 HydrophobicContact CD1-CD2 3.71Å; L113-F186 HydrophobicContact CD1-CE2 3.47Å; L113-F186 VanDerWaalsContact CD1-CE2 3.47Å; L113-F186 HydrophobicContact CD1-CG 4.38Å; L113-F186 HydrophobicContact CD1-CZ 3.94Å; L113-F186 HydrophobicContact CD2-CD1 3.69Å; L113-F186 HydrophobicContact CD2-CD2 4.1Å; L113-F186 HydrophobicContact CD2-CE1 3.5Å; L113-F186 HydrophobicContact CD2-CE2 3.94Å; L113-F186 HydrophobicContact CD2-CG 3.98Å; L113-F186 HydrophobicContact CD2-CZ 3.64Å; L113-F186 HydrophobicContact CG-CE2 4.35Å; L113-F186 HydrophobicContact CG-CZ 4.4Å; L113-I197 HydrophobicContact CD1-CG2 3.7Å; L113-I197 HydrophobicContact CD2-CG2 3.86Å; L113-I197 HydrophobicContact CG-CG2 3.71Å; L113-W199 HydrophobicContact CB-CE3 4.1Å; L113-W199 HydrophobicContact CB-CH2 4.4Å; L113-W199 HydrophobicContact CB-CZ3 3.96Å; L113-W199 HydrophobicContact CD1-CD2 3.79Å; L113-W199 HydrophobicContact CD1-CE3 4.11Å; L113-W199 HydrophobicContact CD1-CG 4.23Å; L113-W199 HydrophobicContact CD1-CH2 4.46Å; L113-W199 HydrophobicContact CD1-CZ2 4.17Å; L113-W199 HydrophobicContact CD1-CZ3 4.42Å
114L97.1Very high90.1Very high0 Ų039.4 Ų39.40%022%0.215CC..EExtended strand (participates in β ladder)trans-121.2149.3170.5-57.6179.6000110.6V112 W124 G125 F126 I197 E198 F200 L205 F225 A228V112-L114 HydrophobicContact CG2-CD2 4.33Å; V112-L114 HydrophobicContact CG2-CG 4.32Å; L114-W124 HydrophobicContact CB-CB 4.48Å; L114-W124 HydrophobicContact CB-CE3 3.91Å; L114-W124 HydrophobicContact CD1-CB 4.24Å; L114-W124 WeakPolarHBondContact O-CZ3 3.21Å; L114-G125 CarbonylContact C-O 3.51Å; L114-G125 WeakPolarHBondContact CA-O 3.27Å; L114-G125 WeakPolarHBondContact CB-O 3.22Å; L114-F126 HydrophobicContact CD2-CD1 3.55Å; L114-F126 HydrophobicContact CD2-CD2 4.33Å; L114-F126 HydrophobicContact CD2-CE1 3.55Å; L114-F126 HydrophobicContact CD2-CE2 4.31Å; L114-F126 HydrophobicContact CD2-CG 3.96Å; L114-F126 HydrophobicContact CD2-CZ 3.95Å; L114-I197 WeakPolarHBondContact O-CA 3.46Å; L114-E198 PolarHBondContact N-O 2.66Å; L114-E198 PolarHBondContact O-N 3.41Å; L114-F200 HydrophobicContact CB-CD2 3.74Å; L114-F200 HydrophobicContact CB-CE2 3.94Å; L114-F200 HydrophobicContact CD1-CB 4.2Å; L114-F200 HydrophobicContact CD1-CD2 3.61Å; L114-F200 HydrophobicContact CD1-CE2 4.19Å; L114-F200 HydrophobicContact CD1-CG 3.96Å; L114-F200 HydrophobicContact CG-CD2 3.79Å; L114-F200 HydrophobicContact CG-CE2 4.43Å; L114-F200 HydrophobicContact CG-CG 4.48Å; L114-L205 HydrophobicContact CD1-CD1 4.26Å; L114-L205 HydrophobicContact CD1-CD2 3.98Å; L114-F225 HydrophobicContact CD1-CD1 3.93Å; L114-F225 HydrophobicContact CD1-CE1 3.96Å; L114-A228 HydrophobicContact CD2-CB 4.41Å
115V95.6Very high89.9Confident9 Ų939.8 Ų39.86%0.05522%0.219CC..EExtended strand (participates in β ladder)trans-108.7148.4174.8-58.30000110.6W124 G125 P127 T149 I194 I197V115-W124 VanDerWaalsContact C-CE3 3.45Å; V115-W124 WeakPolarHBondContact O-CA 3.31Å; V115-G125 PolarHBondContact N-O 2.89Å; V115-G125 PolarHBondContact O-N 3Å; V115-P127 HydrophobicContact CG1-CB 3.97Å; V115-P127 HydrophobicContact CG2-CB 4.44Å; V115-T149 HydrophobicContact CG1-CG2 3.92Å; V115-I194 HydrophobicContact CB-CD1 4.03Å; V115-I194 HydrophobicContact CB-CG2 4.23Å; V115-I194 HydrophobicContact CG2-CD1 4.06Å; V115-I197 HydrophobicContact CG1-CG1 4.17Å; V115-I197 HydrophobicContact CG1-CG2 4.35Å
116Q93Very high89.9Confident12 Ų1239.9 Ų39.96%0.05622%0.219CC..EExtended strand (participates in β ladder)trans-113.6129.2174-180175.6112.700110.8K121 G123 W124 I194 R195 N196Q116-K121 PolarHBondContact OE1-O 3.14Å; Q116-G123 WeakPolarHBondContact CA-O 3.39Å; Q116-W124 HydrophobicContact CB-CD2 3.95Å; Q116-W124 HydrophobicContact CB-CE3 3.73Å; Q116-W124 HydrophobicContact CB-CH2 3.96Å; Q116-W124 HydrophobicContact CB-CZ2 4.16Å; Q116-W124 HydrophobicContact CB-CZ3 3.73Å; Q116-W124 VanDerWaalsContact NE2-CZ2 3.31Å; Q116-I194 WeakPolarHBondContact O-CA 3.12Å; Q116-R195 PolarHBondContact O-N 3.14Å; Q116-N196 HydrophobicContact CB-CB 4.23Å; Q116-N196 PolarHBondContact N-O 2.96Å
117G86.6Confident89.9Confident19 Ų1939.8 Ų39.820%0.19622%0.219CC..EExtended strand (participates in β ladder)trans-70.4148.917700000113.7A120 E193G117-A120 CarbonylContact O-C 3.57Å; G117-E193 CarbonylContact C-O 3.58Å; G117-E193 WeakPolarHBondContact CA-O 3.48Å
118Y80.6Confident90Very high101 Ų10135.7 Ų35.740%0.39620%0.199SC..SBendtrans-74.9-42-177.5-170.4-88.6000113.1K121 R192 E193 R195Y118-K121 VanDerWaalsContact O-CG 3.27Å; Y118-K121 WeakPolarHBondContact O-CG 3.23Å; Y118-R192 HydrophobicContact CD1-CB 4.06Å; Y118-R192 HydrophobicContact CD2-CB 4.43Å; Y118-R192 HydrophobicContact CE1-CB 4.06Å; Y118-R192 HydrophobicContact CE1-CG 4.28Å; Y118-R192 HydrophobicContact CE2-CB 4.42Å; Y118-R192 HydrophobicContact CE2-CG 4.41Å; Y118-R192 HydrophobicContact CG-CB 4.26Å; Y118-E193 WeakPolarHBondContact CB-O 3.15Å; Y118-E193 PolarHBondContact N-O 3.33Å; Y118-R195 HydrophobicContact CD2-CB 4.35Å
119L73.3Confident89.9Confident48 Ų4832.4 Ų32.425%0.25118%0.18SC..SBendtrans-83.3-42.3172.6-62.4176.5000110.8W44 K121 N364 T367W44-L119 HydrophobicContact CH2-CD1 4.02Å; L119-K121 PolarHBondContact O-N 2.92Å; L119-N364 WeakPolarHBondContact CB-OD1 3.3Å; L119-N364 HydrophobicContact CD1-CB 3.79Å; L119-T367 HydrophobicContact CB-CG2 4.37Å
120A72.9Confident89.9Confident49 Ų4931.3 Ų31.341%0.40517%0.174SC..SBendtrans-73.254.5168.800000112.8G117 S122 G123G117-A120 CarbonylContact O-C 3.57Å; A120-S122 PolarHBondContact O-N 2.76Å; A120-G123 PolarHBondContact O-N 3Å
121K70.9Confident89.8Confident111 Ų11126.8 Ų26.848%0.48316%0.155SC..THydrogen-bonded Turntrans-50-11.3-170.5-66.3167.2-174.6166.90117Q116 Y118 L119 R195Q116-K121 PolarHBondContact OE1-O 3.14Å; Y118-K121 VanDerWaalsContact O-CG 3.27Å; Y118-K121 WeakPolarHBondContact O-CG 3.23Å; L119-K121 PolarHBondContact O-N 2.92Å; K121-R195 PolarHBondContact O-NH1 3.02Å
122S74.9Confident89.4Confident63 Ų6327 Ų2744%0.44116%0.156SC..THydrogen-bonded Turntrans-119-14.6-177.859.10000114A120 K224A120-S122 PolarHBondContact O-N 2.76Å; S122-K224 WeakPolarHBondContact O-CA 3.26Å; S122-K224 WeakPolarHBondContact O-CB 3.5Å; S122-K224 VanDerWaalsContact O-CG 3.23Å; S122-K224 WeakPolarHBondContact O-CG 3.19Å
123G88.3Confident88.5Confident27 Ų2730 Ų3028%0.27817%0.169SC..  trans-91.3127.1-172.200000112.8Q116 A120 K224Q116-G123 WeakPolarHBondContact CA-O 3.39Å; A120-G123 PolarHBondContact O-N 3Å; G123-K224 CarbonylContact C-O 3.58Å; G123-K224 WeakPolarHBondContact CA-O 3.32Å
124W93.1Very high88.1Confident8 Ų838.1 Ų38.13%0.0321%0.207CC..EExtended strand (participates in β ladder)trans-107.5138.6171.3-70.1103.1000110.3L114 V115 Q116 N196 E198 F200 K224 F225L114-W124 HydrophobicContact CB-CB 4.48Å; L114-W124 HydrophobicContact CB-CE3 3.91Å; L114-W124 HydrophobicContact CD1-CB 4.24Å; L114-W124 WeakPolarHBondContact O-CZ3 3.21Å; V115-W124 VanDerWaalsContact C-CE3 3.45Å; V115-W124 WeakPolarHBondContact O-CA 3.31Å; Q116-W124 HydrophobicContact CB-CD2 3.95Å; Q116-W124 HydrophobicContact CB-CE3 3.73Å; Q116-W124 HydrophobicContact CB-CH2 3.96Å; Q116-W124 HydrophobicContact CB-CZ2 4.16Å; Q116-W124 HydrophobicContact CB-CZ3 3.73Å; Q116-W124 VanDerWaalsContact NE2-CZ2 3.31Å; W124-N196 HydrophobicContact CH2-CB 3.49Å; W124-N196 VanDerWaalsContact CH2-CB 3.49Å; W124-N196 HydrophobicContact CZ2-CB 4.24Å; W124-N196 HydrophobicContact CZ3-CB 4.17Å; W124-E198 HydrophobicContact CH2-CB 3.69Å; W124-E198 VanDerWaalsContact CH2-CD 3.43Å; W124-E198 HydrophobicContact CH2-CG 3.73Å; W124-E198 WeakPolarHBondContact CH2-OE1 3.39Å; W124-E198 HydrophobicContact CZ2-CB 4.48Å; W124-E198 HydrophobicContact CZ2-CG 4.46Å; W124-E198 HydrophobicContact CZ3-CB 4.03Å; W124-E198 HydrophobicContact CZ3-CG 4.47Å; W124-F200 AromaticContact CD2-CE2 3.82Å; W124-F200 HydrophobicContact CD2-CE2 3.82Å; W124-F200 AromaticContact CD2-CZ 3.78Å; W124-F200 HydrophobicContact CD2-CZ 3.78Å; W124-F200 AromaticContact CE2-CZ 3.58Å; W124-F200 AromaticContact CE3-CE2 3.67Å; W124-F200 HydrophobicContact CE3-CE2 3.67Å; W124-F200 HydrophobicContact CE3-CZ 4.09Å; W124-F200 HydrophobicContact CG-CE2 4.49Å; W124-F200 HydrophobicContact CG-CZ 4.32Å; W124-F200 HydrophobicContact CH2-CE2 4.02Å; W124-F200 HydrophobicContact CH2-CZ 4.04Å; W124-F200 HydrophobicContact CZ2-CE2 4.16Å; W124-F200 AromaticContact CZ2-CZ 3.72Å; W124-F200 HydrophobicContact CZ2-CZ 3.72Å; W124-F200 AromaticContact CZ3-CE2 3.8Å; W124-F200 HydrophobicContact CZ3-CE2 3.8Å; W124-F200 HydrophobicContact CZ3-CZ 4.22Å; W124-K224 PolarHBondContact N-O 3.48Å; W124-F225 HydrophobicContact CB-CD1 3.8Å; W124-F225 HydrophobicContact CB-CE1 3.89Å; W124-F225 AromaticContact CD1-CE1 3.98Å; W124-F225 HydrophobicContact CG-CD1 4.4Å; W124-F225 HydrophobicContact CG-CE1 4.04Å
125G94.9Very high88Confident8 Ų840.1 Ų40.18%0.08222%0.216CC..EExtended strand (participates in β ladder)trans-153.6171.7176.500000112.4L114 V115L114-G125 CarbonylContact C-O 3.51Å; L114-G125 WeakPolarHBondContact CA-O 3.27Å; L114-G125 WeakPolarHBondContact CB-O 3.22Å; V115-G125 PolarHBondContact N-O 2.89Å; V115-G125 PolarHBondContact O-N 3Å
126F97.3Very high88Confident3 Ų341.1 Ų41.11%0.01323%0.226CC..  trans-70.8142.7171-64.5-74.2000110.6I103 V112 L114 K128 L174 A228 F231 I232I103-F126 HydrophobicContact CB-CD1 4.29Å; I103-F126 HydrophobicContact CB-CE1 4.24Å; I103-F126 HydrophobicContact CD1-CZ 4.49Å; I103-F126 HydrophobicContact CG1-CD1 3.87Å; I103-F126 HydrophobicContact CG1-CE1 3.89Å; I103-F126 HydrophobicContact CG1-CG 4.2Å; I103-F126 HydrophobicContact CG1-CZ 4.26Å; I103-F126 HydrophobicContact CG2-CD1 4.34Å; I103-F126 HydrophobicContact CG2-CE1 3.84Å; I103-F126 HydrophobicContact CG2-CZ 4.49Å; V112-F126 HydrophobicContact CB-CE1 3.93Å; V112-F126 HydrophobicContact CG1-CE1 3.98Å; V112-F126 HydrophobicContact CG2-CE1 4.11Å; L114-F126 HydrophobicContact CD2-CD1 3.55Å; L114-F126 HydrophobicContact CD2-CD2 4.33Å; L114-F126 HydrophobicContact CD2-CE1 3.55Å; L114-F126 HydrophobicContact CD2-CE2 4.31Å; L114-F126 HydrophobicContact CD2-CG 3.96Å; L114-F126 HydrophobicContact CD2-CZ 3.95Å; F126-K128 PolarHBondContact O-N 3.39Å; F126-L174 HydrophobicContact CB-CD1 3.62Å; F126-L174 HydrophobicContact CB-CD2 4.36Å; F126-L174 HydrophobicContact CD2-CD1 3.58Å; F126-L174 HydrophobicContact CE2-CD1 4.46Å; F126-L174 HydrophobicContact CG-CD1 3.69Å; F126-A228 HydrophobicContact CD2-CB 4.23Å; F126-A228 HydrophobicContact CE2-CB 3.8Å; F126-A228 HydrophobicContact CZ-CB 4.49Å; F126-F231 HydrophobicContact CD2-CB 4.4Å; F126-F231 HydrophobicContact CD2-CD2 4.21Å; F126-F231 HydrophobicContact CD2-CG 4.49Å; F126-F231 HydrophobicContact CE2-CB 3.86Å; F126-F231 HydrophobicContact CE2-CD2 4.36Å; F126-F231 HydrophobicContact CE2-CG 4.41Å; F126-I232 HydrophobicContact CE2-CD1 4.18Å; F126-I232 HydrophobicContact CZ-CD1 3.93Å
127P96.8Very high88.2Confident0 Ų042.3 Ų42.30%023%0.234CC..SBendtrans-64.2121.6177.726.3-33.8000110.7G101 A102 I104 V115 V145 E148 T149G101-P127 VanDerWaalsContact CA-O 3.25Å; G101-P127 WeakPolarHBondContact CA-O 3.45Å; A102-P127 PolarHBondContact N-O 2.9Å; I104-P127 HydrophobicContact CD1-CG 4.38Å; V115-P127 HydrophobicContact CG1-CB 3.97Å; V115-P127 HydrophobicContact CG2-CB 4.44Å; P127-V145 HydrophobicContact CB-CG2 4.14Å; P127-V145 HydrophobicContact CG-CG2 4.18Å; P127-E148 WeakPolarHBondContact CA-OE2 3.38Å; P127-E148 WeakPolarHBondContact CB-OE2 3.35Å; P127-T149 HydrophobicContact CB-CG2 3.66Å; P127-T149 HydrophobicContact CG-CG2 4Å
128K96.1Very high88.7Confident40 Ų4043.1 Ų43.117%0.17423%0.233CC..EExtended strand (participates in β ladder)trans-171.3150.9-173.376.8-165.7-172.2-44.70110.2Y100 F126 E148 L174Y100-K128 VanDerWaalsContact O-CA 3.3Å; Y100-K128 WeakPolarHBondContact O-CA 3.27Å; Y100-K128 WeakPolarHBondContact O-CB 3.39Å; F126-K128 PolarHBondContact O-N 3.39Å; K128-E148 PolarHBondContact N-OE2 3.45Å; K128-L174 HydrophobicContact CB-CD2 3.85Å; K128-L174 HydrophobicContact CD-CD2 3.94Å; K128-L174 HydrophobicContact CG-CD2 4.46Å
129G93.9Very high89.5Confident8 Ų842 Ų428%0.08223%0.234CC..EExtended strand (participates in β ladder)trans-150.4-157.7169.100000111.6T99 Y100 E144T99-G129 CarbonylContact C-O 3.33Å; T99-G129 WeakPolarHBondContact CA-O 3.34Å; T99-G129 VanDerWaalsContact CB-O 3.31Å; T99-G129 WeakPolarHBondContact CB-O 3.33Å; Y100-G129 PolarHBondContact N-O 3.21Å; Y100-G129 PolarHBondContact O-N 2.75Å; Y100-G129 VanDerWaalsContact O-N 3.13Å; G129-E144 VanDerWaalsContact C-CD 3.46Å; G129-E144 VanDerWaalsContact C-OE1 3.27Å; G129-E144 WeakPolarHBondContact CA-OE1 3.39Å; G129-E144 WeakPolarHBondContact CA-OE2 3.48Å; G129-E144 VanDerWaalsContact N-CG 3.33Å
130K94Very high90.7Very high11 Ų1139.8 Ų39.85%0.04822%0.222CC..EExtended strand (participates in β ladder)trans-105.9138.4-160.6-72179-176.3-171.50112.7K94 V97 T99 R143 E144 L361 D363K94-K130 PolarHBondContact O-NZ 2.94Å; V97-K130 HydrophobicContact CB-CD 4.09Å; V97-K130 HydrophobicContact CB-CG 4.44Å; V97-K130 HydrophobicContact CG1-CB 3.86Å; V97-K130 HydrophobicContact CG1-CD 4.22Å; V97-K130 HydrophobicContact CG1-CG 4.14Å; T99-K130 HydrophobicContact CG2-CG 3.63Å; K130-R143 PolarHBondContact O-NH2 2.99Å; K130-E144 PolarHBondContact N-OE1 2.89Å; K130-L361 HydrophobicContact CB-CB 4.2Å; K130-L361 HydrophobicContact CB-CD2 4.36Å; K130-L361 HydrophobicContact CD-CB 4.16Å; K130-L361 HydrophobicContact CD-CD2 3.71Å; K130-L361 HydrophobicContact CD-CG 3.79Å; K130-L361 WeakPolarHBondContact CD-O 3.13Å; K130-D363 IonicContact NZ-OD2 3.63Å; K130-D363 PolarHBondContact NZ-OD2 3Å
131V94.2Very high91.9Very high29 Ų2937.4 Ų37.418%0.17620%0.203CC..PPolyproline II helixtrans-66.9138.5-175.173.80000112.7V97 P98 Y100 E135 C140V97-V131 HydrophobicContact CG1-CG1 4.37Å; P98-V131 HydrophobicContact CB-CG1 4.17Å; P98-V131 HydrophobicContact CG-CG1 4.44Å; P98-V131 PolarHBondContact O-N 3.43Å; Y100-V131 HydrophobicContact CD2-CB 3.81Å; Y100-V131 HydrophobicContact CD2-CG2 3.98Å; Y100-V131 HydrophobicContact CE2-CB 3.69Å; Y100-V131 HydrophobicContact CE2-CG1 4.21Å; Y100-V131 HydrophobicContact CE2-CG2 3.76Å; V131-E135 HydrophobicContact CG2-CB 4.08Å; V131-E135 WeakPolarHBondContact CG2-O 3.5Å; V131-C140 HydrophobicContact CG2-CB 4.25Å
132N89.1Confident93.1Very high19 Ų1932.2 Ų32.210%0.10218%0.18CC..PPolyproline II helixtrans-90173.6172.7-60.1-101.3000110.8E134 E135 R143 K360N132-E134 PolarHBondContact O-N 3.13Å; N132-E135 HydrophobicContact CB-CB 4.19Å; N132-E135 PolarHBondContact N-OE2 2.91Å; N132-E135 PolarHBondContact ND2-OE2 2.73Å; N132-E135 PolarHBondContact O-N 2.93Å; N132-R143 VanDerWaalsContact ND2-CZ 3.29Å; N132-R143 PolarHBondContact ND2-NE 2.85Å; N132-R143 PolarHBondContact ND2-NH2 2.96Å; N132-K360 PolarHBondContact ND2-NZ 3.18Å; N132-K360 VanDerWaalsContact OD1-CE 3.28Å; N132-K360 WeakPolarHBondContact OD1-CE 3.18Å; N132-K360 PolarHBondContact OD1-NZ 3.14Å
133K79Confident94.2Very high64 Ų6430.9 Ų30.928%0.27817%0.166SC..THydrogen-bonded Turntrans-56.2135.3172-164.9175.4-152.8176.80111.3E135 K409 F410K133-E135 PolarHBondContact O-N 2.74Å; K133-K409 HydrophobicContact CB-CB 4.23Å; K133-K409 WeakPolarHBondContact CB-O 3.24Å; K133-K409 HydrophobicContact CD-CB 4Å; K133-K409 PolarHBondContact N-O 3.08Å; K133-F410 VanDerWaalsContact CB-C 3.42Å; K133-F410 WeakPolarHBondContact CD-O 3.33Å; K133-F410 WeakPolarHBondContact CE-O 3.37Å; K133-F410 WeakPolarHBondContact CG-O 3.34Å
134E88.4Confident94.6Very high171 Ų17130.1 Ų30.180%0.79916%0.155SC*.THydrogen-bonded Turntrans58.113.2171.5-68.9145.7-138.800114.4N132N132-E134 PolarHBondContact O-N 3.13Å
135E94Very high94.8Very high43 Ų4329.7 Ų29.720%0.20115%0.153CC..  trans-85.6125.6178.3-173.9175.4-130.100110.4V131 N132 K133 D139 C140 R143V131-E135 HydrophobicContact CG2-CB 4.08Å; V131-E135 WeakPolarHBondContact CG2-O 3.5Å; N132-E135 HydrophobicContact CB-CB 4.19Å; N132-E135 PolarHBondContact N-OE2 2.91Å; N132-E135 PolarHBondContact ND2-OE2 2.73Å; N132-E135 PolarHBondContact O-N 2.93Å; K133-E135 PolarHBondContact O-N 2.74Å; E135-D139 HydrophobicContact CG-CB 4.4Å; E135-C140 HydrophobicContact CG-CB 3.86Å; E135-C140 WeakPolarHBondContact OE2-CB 3.19Å; E135-R143 IonicContact OE1-CZ 2.74Å; E135-R143 IonicContact OE1-NE 3.96Å; E135-R143 PolarHBondContact OE1-NE 3.42Å; E135-R143 IonicContact OE1-NH2 2.73Å; E135-R143 PolarHBondContact OE1-NH2 3.08Å; E135-R143 IonicContact OE2-CZ 2.99Å; E135-R143 IonicContact OE2-NE 3.8Å; E135-R143 IonicContact OE2-NH2 3.74Å; E135-R143 PolarHBondContact OE2-NH2 3.3Å
136A96.4Very high94.9Very high30 Ų3032 Ų3225%0.24816%0.161CC..  trans-70.8148.1178.900000111.4H138 D139 C140A136-H138 PolarHBondContact O-N 3.46Å; A136-D139 HydrophobicContact CB-CB 4.49Å; A136-D139 WeakPolarHBondContact CB-OD2 3.5Å; A136-D139 PolarHBondContact O-N 3.23Å; A136-C140 PolarHBondContact O-N 2.88Å
137P97.3Very high94.7Very high37 Ų3732.6 Ų32.624%0.2416%0.164CC..Hα-helixtrans-48.9-37.4-179.9-35.339.2000115.8Y100 A141 Y175Y100-P137 WeakPolarHBondContact CB-O 3.45Å; Y100-P137 HydrophobicContact CD1-CB 3.71Å; Y100-P137 HydrophobicContact CD2-CB 4.48Å; Y100-P137 HydrophobicContact CE1-CB 3.54Å; Y100-P137 HydrophobicContact CE1-CG 3.93Å; Y100-P137 HydrophobicContact CE2-CB 4.31Å; Y100-P137 HydrophobicContact CE2-CG 4.31Å; Y100-P137 HydrophobicContact CG-CB 4.21Å; P137-A141 WeakPolarHBondContact O-CB 3.49Å; P137-A141 PolarHBondContact O-N 2.94Å; P137-Y175 HydrophobicContact CB-CE2 4.46Å
138H97.5Very high94.6Very high35 Ų3533.2 Ų33.216%0.16217%0.167CC..Hα-helixtrans-79.4-34.4179.750.1-83.4000112.9A136 A141 A142 I157 K159 Y175A136-H138 PolarHBondContact O-N 3.46Å; H138-A141 PolarHBondContact O-N 3.44Å; H138-A142 WeakPolarHBondContact O-CB 3.48Å; H138-A142 PolarHBondContact O-N 3.07Å; H138-I157 HydrophobicContact CB-CD1 3.68Å; H138-I157 HydrophobicContact CB-CG1 4.34Å; H138-K159 PolarHBondContact CE1-NZ 3.31Å; H138-K159 WeakPolarHBondContact NE2-CE 3.4Å; H138-K159 PolarHBondContact NE2-NZ 3.01Å; H138-Y175 HydrophobicContact CB-CE2 4.3Å
139D97.6Very high94.6Very high79 Ų7931.3 Ų31.342%0.42216%0.158SC..Hα-helixtrans-70.6-39.9175-63.7-40.9000110.9E135 A136 A142 R143E135-D139 HydrophobicContact CG-CB 4.4Å; A136-D139 HydrophobicContact CB-CB 4.49Å; A136-D139 WeakPolarHBondContact CB-OD2 3.5Å; A136-D139 PolarHBondContact O-N 3.23Å; D139-A142 PolarHBondContact O-N 2.92Å; D139-R143 WeakPolarHBondContact O-CB 3.47Å; D139-R143 PolarHBondContact O-N 3Å
140C97.2Very high94.7Very high0 Ų031.7 Ų31.70%016%0.162CC..Hα-helixtrans-59.1-51.1169.9-174.90000110.9Y100 V131 E135 A136 A142 R143 E144Y100-C140 HydrophobicContact CD2-CB 3.85Å; Y100-C140 HydrophobicContact CG-CB 4.24Å; V131-C140 HydrophobicContact CG2-CB 4.25Å; E135-C140 HydrophobicContact CG-CB 3.86Å; E135-C140 WeakPolarHBondContact OE2-CB 3.19Å; A136-C140 PolarHBondContact O-N 2.88Å; C140-A142 VanDerWaalsContact C-N 3.29Å; C140-A142 PolarHBondContact O-N 3.33Å; C140-R143 PolarHBondContact O-N 3.06Å; C140-R143 PolarHBondContact SG-NH2 3.37Å; C140-E144 WeakPolarHBondContact O-CB 3.48Å; C140-E144 WeakPolarHBondContact O-CG 3.37Å; C140-E144 PolarHBondContact O-N 3.13Å
141A98.1Very high94.8Very high0 Ų032.5 Ų32.50%017%0.166CC..Hα-helixtrans-56.3-44.1177.900000112.1P137 H138 V145 I157 Y175P137-A141 WeakPolarHBondContact O-CB 3.49Å; P137-A141 PolarHBondContact O-N 2.94Å; H138-A141 PolarHBondContact O-N 3.44Å; A141-V145 VanDerWaalsContact O-CB 3.3Å; A141-V145 WeakPolarHBondContact O-CB 3.4Å; A141-V145 WeakPolarHBondContact O-CG2 3.3Å; A141-V145 PolarHBondContact O-N 3.48Å; A141-V145 VanDerWaalsContact O-N 3.08Å; A141-I157 HydrophobicContact CB-CD1 4.14Å; A141-Y175 HydrophobicContact CB-CD2 3.63Å; A141-Y175 HydrophobicContact CB-CE2 4.04Å
142A97.8Very high94.9Very high1 Ų133.9 Ų33.91%0.00817%0.173CC..Hα-helixtrans-67.4-39.6178.800000113.3H138 D139 C140 F146 I153 K154H138-A142 WeakPolarHBondContact O-CB 3.48Å; H138-A142 PolarHBondContact O-N 3.07Å; D139-A142 PolarHBondContact O-N 2.92Å; C140-A142 VanDerWaalsContact C-N 3.29Å; C140-A142 PolarHBondContact O-N 3.33Å; A142-F146 VanDerWaalsContact O-CB 3.27Å; A142-F146 WeakPolarHBondContact O-CB 3.38Å; A142-F146 PolarHBondContact O-N 2.82Å; A142-I153 HydrophobicContact CB-CG1 3.89Å; A142-K154 HydrophobicContact CB-CG 3.78Å
143R96.9Very high95.3Very high35 Ų3533 Ų3313%0.13217%0.168CC..Hα-helixtrans-64.2-53.2175.3178.3-174.852.964.712.4111.4K130 N132 E135 D139 C140 V145 F146 E147K130-R143 PolarHBondContact O-NH2 2.99Å; N132-R143 VanDerWaalsContact ND2-CZ 3.29Å; N132-R143 PolarHBondContact ND2-NE 2.85Å; N132-R143 PolarHBondContact ND2-NH2 2.96Å; E135-R143 IonicContact OE1-CZ 2.74Å; E135-R143 IonicContact OE1-NE 3.96Å; E135-R143 PolarHBondContact OE1-NE 3.42Å; E135-R143 IonicContact OE1-NH2 2.73Å; E135-R143 PolarHBondContact OE1-NH2 3.08Å; E135-R143 IonicContact OE2-CZ 2.99Å; E135-R143 IonicContact OE2-NE 3.8Å; E135-R143 IonicContact OE2-NH2 3.74Å; E135-R143 PolarHBondContact OE2-NH2 3.3Å; D139-R143 WeakPolarHBondContact O-CB 3.47Å; D139-R143 PolarHBondContact O-N 3Å; C140-R143 PolarHBondContact O-N 3.06Å; C140-R143 PolarHBondContact SG-NH2 3.37Å; R143-V145 PolarHBondContact O-N 2.61Å; R143-F146 CarbonylContact O-C 3.53Å; R143-F146 PolarHBondContact O-N 2.87Å; R143-F146 VanDerWaalsContact O-N 3.13Å; R143-E147 VanDerWaalsContact CG-CD 3.42Å; R143-E147 HydrophobicContact CG-CG 4.25Å; R143-E147 WeakPolarHBondContact CG-OE1 3.46Å; R143-E147 WeakPolarHBondContact CG-OE2 3.47Å; R143-E147 IonicContact CZ-OE2 3.84Å; R143-E147 IonicContact NH1-OE2 3.94Å; R143-E147 PolarHBondContact NH1-OE2 2.9Å; R143-E147 WeakPolarHBondContact O-CB 3.37Å; R143-E147 WeakPolarHBondContact O-CG 3.33Å; R143-E147 PolarHBondContact O-N 2.87Å
144E96.6Very high96.1Very high11 Ų1135.5 Ų35.55%0.05118%0.178CC..Hα-helixtrans-60.5-45-176.6-64.7-70.6175.900111.3G129 K130 C140 F146 E147 E148G129-E144 VanDerWaalsContact C-CD 3.46Å; G129-E144 VanDerWaalsContact C-OE1 3.27Å; G129-E144 WeakPolarHBondContact CA-OE1 3.39Å; G129-E144 WeakPolarHBondContact CA-OE2 3.48Å; G129-E144 VanDerWaalsContact N-CG 3.33Å; K130-E144 PolarHBondContact N-OE1 2.89Å; C140-E144 WeakPolarHBondContact O-CB 3.48Å; C140-E144 WeakPolarHBondContact O-CG 3.37Å; C140-E144 PolarHBondContact O-N 3.13Å; E144-F146 VanDerWaalsContact C-N 3.33Å; E144-F146 PolarHBondContact O-N 3.29Å; E144-E147 PolarHBondContact O-N 2.88Å; E144-E148 WeakPolarHBondContact O-CB 3.47Å; E144-E148 PolarHBondContact O-N 3.34Å
145V97.2Very high96.4Very high0 Ų034.4 Ų34.40%018%0.178CC..Hα-helixtrans-63.5-38.7176.3171.20000111.4A102 I104 P127 A141 R143 T149 I153A102-V145 HydrophobicContact CB-CG2 3.77Å; I104-V145 HydrophobicContact CD1-CG1 3.84Å; P127-V145 HydrophobicContact CB-CG2 4.14Å; P127-V145 HydrophobicContact CG-CG2 4.18Å; A141-V145 VanDerWaalsContact O-CB 3.3Å; A141-V145 WeakPolarHBondContact O-CB 3.4Å; A141-V145 WeakPolarHBondContact O-CG2 3.3Å; A141-V145 PolarHBondContact O-N 3.48Å; A141-V145 VanDerWaalsContact O-N 3.08Å; R143-V145 PolarHBondContact O-N 2.61Å; V145-T149 HydrophobicContact CG1-CG2 4.5Å; V145-T149 WeakPolarHBondContact O-CA 3.19Å; V145-T149 WeakPolarHBondContact O-CB 3.46Å; V145-T149 PolarHBondContact O-N 2.8Å; V145-T149 PolarHBondContact O-OG1 2.93Å; V145-I153 HydrophobicContact CB-CD1 4.12Å; V145-I153 HydrophobicContact CB-CG1 4.41Å; V145-I153 HydrophobicContact CG1-CD1 4.29Å; V145-I153 HydrophobicContact CG1-CG1 4.39Å; V145-I153 HydrophobicContact CG1-CG2 3.85Å; V145-I153 HydrophobicContact CG2-CD1 4.02Å
146F96.9Very high96.4Very high57 Ų5736.8 Ų36.825%0.2519%0.186CC..Hα-helixtrans-70.1-34.4174.8-177.9-100.3000112.8A142 R143 E144 G150 F151 D152 K189A142-F146 VanDerWaalsContact O-CB 3.27Å; A142-F146 WeakPolarHBondContact O-CB 3.38Å; A142-F146 PolarHBondContact O-N 2.82Å; R143-F146 CarbonylContact O-C 3.53Å; R143-F146 PolarHBondContact O-N 2.87Å; R143-F146 VanDerWaalsContact O-N 3.13Å; E144-F146 VanDerWaalsContact C-N 3.33Å; E144-F146 PolarHBondContact O-N 3.29Å; F146-G150 WeakPolarHBondContact O-CA 3.4Å; F146-G150 PolarHBondContact O-N 2.71Å; F146-F151 WeakPolarHBondContact CA-O 3.37Å; F146-D152 HydrophobicContact CD2-CB 3.98Å; F146-D152 HydrophobicContact CE2-CB 4.48Å; F146-K189 HydrophobicContact CD1-CG 4.34Å; F146-K189 HydrophobicContact CE1-CD 4.43Å; F146-K189 HydrophobicContact CE1-CG 4.15Å; F146-K189 HydrophobicContact CZ-CD 4.44Å; F146-K189 WeakPolarHBondContact O-CG 3.49Å
147E93.7Very high96.4Very high15 Ų1536.6 Ų36.67%0.0718%0.18CC..Hα-helixtrans-71-48.4177.9-75.6169.7169.600111.1R143 E144 K189 H357R143-E147 VanDerWaalsContact CG-CD 3.42Å; R143-E147 HydrophobicContact CG-CG 4.25Å; R143-E147 WeakPolarHBondContact CG-OE1 3.46Å; R143-E147 WeakPolarHBondContact CG-OE2 3.47Å; R143-E147 IonicContact CZ-OE2 3.84Å; R143-E147 IonicContact NH1-OE2 3.94Å; R143-E147 PolarHBondContact NH1-OE2 2.9Å; R143-E147 WeakPolarHBondContact O-CB 3.37Å; R143-E147 WeakPolarHBondContact O-CG 3.33Å; R143-E147 PolarHBondContact O-N 2.87Å; E144-E147 PolarHBondContact O-N 2.88Å; E147-K189 PolarHBondContact O-N 2.94Å; E147-H357 IonicContact OE1-CD2 2.69Å
148E95.3Very high96.4Very high12 Ų1237 Ų376%0.05618%0.184CC..Hα-helixtrans-75.9-40.6-179.8-68.6-168.6135.100113.8P127 K128 E144 P188 I194 Q362P127-E148 WeakPolarHBondContact CA-OE2 3.38Å; P127-E148 WeakPolarHBondContact CB-OE2 3.35Å; K128-E148 PolarHBondContact N-OE2 3.45Å; E144-E148 WeakPolarHBondContact O-CB 3.47Å; E144-E148 PolarHBondContact O-N 3.34Å; E148-P188 WeakPolarHBondContact O-CA 3.46Å; E148-P188 WeakPolarHBondContact O-CB 3.39Å; E148-P188 WeakPolarHBondContact O-CG 3.28Å; E148-I194 HydrophobicContact CB-CD1 4.16Å; E148-I194 HydrophobicContact CB-CG1 3.89Å; E148-I194 HydrophobicContact CG-CD1 4.03Å; E148-I194 HydrophobicContact CG-CG1 4.13Å; E148-Q362 PolarHBondContact OE1-NE2 3.2Å
149T95.5Very high96.3Very high0 Ų040.9 Ų40.90%020%0.2CC..Hα-helixtrans-110.1-19.3-172.579.50000114.3L113 V115 P127 V145 F151 F186 N187 I197L113-T149 HydrophobicContact CD2-CG2 4.18Å; V115-T149 HydrophobicContact CG1-CG2 3.92Å; P127-T149 HydrophobicContact CB-CG2 3.66Å; P127-T149 HydrophobicContact CG-CG2 4Å; V145-T149 HydrophobicContact CG1-CG2 4.5Å; V145-T149 WeakPolarHBondContact O-CA 3.19Å; V145-T149 WeakPolarHBondContact O-CB 3.46Å; V145-T149 PolarHBondContact O-N 2.8Å; V145-T149 PolarHBondContact O-OG1 2.93Å; T149-F151 VanDerWaalsContact C-N 3.27Å; T149-F151 PolarHBondContact O-N 3.43Å; T149-F151 PolarHBondContact OG1-N 3.3Å; T149-F186 CarbonylContact O-C 3.52Å; T149-F186 VanDerWaalsContact O-CA 3.27Å; T149-F186 WeakPolarHBondContact O-CA 3.45Å; T149-N187 CarbonylContact O-C 3.54Å; T149-N187 PolarHBondContact O-N 3.33Å; T149-I197 HydrophobicContact CG2-CD1 4.42Å
150G95.6Very high96.2Very high16 Ų1643.7 Ų43.717%0.16522%0.215CC..SBendtrans77.61.9-176.700000117F146 N187 K189F146-G150 WeakPolarHBondContact O-CA 3.4Å; F146-G150 PolarHBondContact O-N 2.71Å; G150-N187 VanDerWaalsContact CA-O 3.27Å; G150-N187 WeakPolarHBondContact CA-O 3.23Å; G150-K189 PolarHBondContact O-NZ 3.38Å
151F96.5Very high96.2Very high28 Ų2845.1 Ų45.112%0.12322%0.223CC..  trans-97.5134.5176.3-179.1-112.6000109.9I104 F146 T149 I153 Y156 V180 T184 F186I104-F151 HydrophobicContact CD1-CD1 4.32Å; F146-F151 WeakPolarHBondContact CA-O 3.37Å; T149-F151 VanDerWaalsContact C-N 3.27Å; T149-F151 PolarHBondContact O-N 3.43Å; T149-F151 PolarHBondContact OG1-N 3.3Å; F151-I153 HydrophobicContact CD1-CG2 3.62Å; F151-I153 HydrophobicContact CE1-CG2 3.72Å; F151-Y156 HydrophobicContact CE1-CE2 4.38Å; F151-Y156 HydrophobicContact CE2-CE2 4.44Å; F151-Y156 HydrophobicContact CZ-CD2 4.38Å; F151-Y156 HydrophobicContact CZ-CE1 4.38Å; F151-Y156 AromaticContact CZ-CE2 3.76Å; F151-Y156 HydrophobicContact CZ-CE2 3.76Å; F151-Y156 AromaticContact CZ-CZ 3.76Å; F151-V180 HydrophobicContact CE1-CG1 4.02Å; F151-V180 HydrophobicContact CE1-CG2 3.75Å; F151-V180 HydrophobicContact CE2-CG1 4.2Å; F151-V180 HydrophobicContact CZ-CB 4.42Å; F151-V180 HydrophobicContact CZ-CG1 3.71Å; F151-V180 HydrophobicContact CZ-CG2 3.8Å; F151-T184 HydrophobicContact CD2-CG2 3.65Å; F151-T184 HydrophobicContact CE2-CG2 3.92Å; F151-T184 HydrophobicContact CG-CG2 4.38Å; F151-F186 HydrophobicContact CB-CD1 3.85Å; F151-F186 HydrophobicContact CB-CE1 3.76Å; F151-F186 HydrophobicContact CD1-CE1 4.25Å; F151-F186 HydrophobicContact CD2-CE1 4.45Å; F151-F186 AromaticContact CG-CE1 3.94Å; F151-F186 HydrophobicContact CG-CE1 3.94Å
152D96.6Very high96.1Very high59 Ų5949.3 Ų49.332%0.31624%0.239SC..  trans-95.6124.8178.3-163.4-28.9000109.6F146 K154F146-D152 HydrophobicContact CD2-CB 3.98Å; F146-D152 HydrophobicContact CE2-CB 4.48Å; D152-K154 WeakPolarHBondContact OD1-CB 3.4Å; D152-K154 WeakPolarHBondContact OD1-CD 3.4Å; D152-K154 WeakPolarHBondContact OD1-CG 3.36Å; D152-K154 PolarHBondContact OD1-N 2.7Å; D152-K154 IonicContact OD1-NZ 2.78Å; D152-K154 IonicContact OD2-NZ 3.24Å; D152-K154 PolarHBondContact OD2-NZ 2.73Å
153I97.1Very high96.1Very high0 Ų050 Ų500%024%0.243CC..  trans-102.64-177.760.9167.3000113.9A102 A142 V145 F151 D155 Y156 I157 I177A102-I153 HydrophobicContact CB-CD1 3.82Å; A142-I153 HydrophobicContact CB-CG1 3.89Å; V145-I153 HydrophobicContact CB-CD1 4.12Å; V145-I153 HydrophobicContact CB-CG1 4.41Å; V145-I153 HydrophobicContact CG1-CD1 4.29Å; V145-I153 HydrophobicContact CG1-CG1 4.39Å; V145-I153 HydrophobicContact CG1-CG2 3.85Å; V145-I153 HydrophobicContact CG2-CD1 4.02Å; F151-I153 HydrophobicContact CD1-CG2 3.62Å; F151-I153 HydrophobicContact CE1-CG2 3.72Å; I153-D155 VanDerWaalsContact C-N 3.29Å; I153-D155 PolarHBondContact O-N 3.49Å; I153-Y156 PolarHBondContact O-N 2.84Å; I153-I157 HydrophobicContact CD1-CD1 4.28Å; I153-I157 PolarHBondContact O-N 3.18Å; I153-I177 HydrophobicContact CB-CD1 4.35Å; I153-I177 HydrophobicContact CB-CG1 4.48Å; I153-I177 HydrophobicContact CD1-CD1 4.38Å; I153-I177 HydrophobicContact CD1-CG1 4.31Å; I153-I177 HydrophobicContact CG2-CG1 4.41Å; I153-I177 HydrophobicContact CG2-CG2 4.29Å
154K95.7Very high96.2Very high116 Ų11651.9 Ų51.950%0.50425%0.253SS..THydrogen-bonded Turntrans-56.4-37.8-176.4-74.6169.9-162.6128.80114.3A142 D152 Y156 I157A142-K154 HydrophobicContact CB-CG 3.78Å; D152-K154 WeakPolarHBondContact OD1-CB 3.4Å; D152-K154 WeakPolarHBondContact OD1-CD 3.4Å; D152-K154 WeakPolarHBondContact OD1-CG 3.36Å; D152-K154 PolarHBondContact OD1-N 2.7Å; D152-K154 IonicContact OD1-NZ 2.78Å; D152-K154 IonicContact OD2-NZ 3.24Å; D152-K154 PolarHBondContact OD2-NZ 2.73Å; K154-Y156 VanDerWaalsContact C-N 3.28Å; K154-I157 WeakPolarHBondContact O-CG2 3.35Å
155D94.7Very high96.2Very high148 Ų14853.7 Ų53.779%0.79126%0.263SS*.THydrogen-bonded Turntrans-81-9.6178.5-64.7-41.5000113.2I153I153-D155 VanDerWaalsContact C-N 3.29Å; I153-D155 PolarHBondContact O-N 3.49Å
156Y95Very high96Very high94 Ų9461.7 Ų61.737%0.36929%0.293SS..THydrogen-bonded Turntrans-105.1-19.4-178-60.2-101.1000113.5F151 I153 K154 C158 I177F151-Y156 HydrophobicContact CE1-CE2 4.38Å; F151-Y156 HydrophobicContact CE2-CE2 4.44Å; F151-Y156 HydrophobicContact CZ-CD2 4.38Å; F151-Y156 HydrophobicContact CZ-CE1 4.38Å; F151-Y156 AromaticContact CZ-CE2 3.76Å; F151-Y156 HydrophobicContact CZ-CE2 3.76Å; F151-Y156 AromaticContact CZ-CZ 3.76Å; I153-Y156 PolarHBondContact O-N 2.84Å; K154-Y156 VanDerWaalsContact C-N 3.28Å; Y156-C158 PolarHBondContact O-N 3.2Å; Y156-I177 HydrophobicContact CD1-CG2 4.44Å; Y156-I177 HydrophobicContact CG-CG2 4.3Å
157I96.2Very high95.6Very high25 Ų2561.3 Ų61.313%0.12829%0.293CS..  trans-77.8103.7-167.6-168.1162000113.1H138 A141 I153 K154 Y175 I177H138-I157 HydrophobicContact CB-CD1 3.68Å; H138-I157 HydrophobicContact CB-CG1 4.34Å; A141-I157 HydrophobicContact CB-CD1 4.14Å; I153-I157 HydrophobicContact CD1-CD1 4.28Å; I153-I157 PolarHBondContact O-N 3.18Å; K154-I157 WeakPolarHBondContact O-CG2 3.35Å; I157-Y175 HydrophobicContact CD1-CD1 3.98Å; I157-Y175 HydrophobicContact CD1-CD2 3.68Å; I157-Y175 HydrophobicContact CD1-CE1 4.46Å; I157-Y175 HydrophobicContact CD1-CE2 4.18Å; I157-Y175 HydrophobicContact CD1-CG 3.55Å; I157-Y175 HydrophobicContact CG1-CD1 3.79Å; I157-Y175 HydrophobicContact CG1-CD2 4.39Å; I157-Y175 HydrophobicContact CG1-CE1 4.41Å; I157-Y175 HydrophobicContact CG1-CG 3.77Å; I157-I177 HydrophobicContact CB-CD1 4.1Å; I157-I177 HydrophobicContact CG1-CD1 4.38Å
158C95.8Very high95.2Very high47 Ų4766 Ų6632%0.31832%0.318SS..  trans-73.7123.3165.7179.60000109.4Y156 D160 D161 Y175Y156-C158 PolarHBondContact O-N 3.2Å; C158-D160 PolarHBondContact O-N 2.85Å; C158-D161 HydrophobicContact CB-CB 4.03Å; C158-D161 PolarHBondContact SG-OD2 2.94Å; C158-Y175 WeakPolarHBondContact O-CD1 3.13Å
159K95.9Very high94.7Very high115 Ų11570.3 Ų70.350%0.534%0.342SS..SBendtrans-69.9-16.4-175.3-61.9-169.1-174-168.10113.7H138 Y162H138-K159 PolarHBondContact CE1-NZ 3.31Å; H138-K159 WeakPolarHBondContact NE2-CE 3.4Å; H138-K159 PolarHBondContact NE2-NZ 3.01Å; K159-Y162 WeakPolarHBondContact O-CD1 3.38Å; K159-Y162 WeakPolarHBondContact O-CE1 3.42Å
160D96.1Very high94.5Very high138 Ų13871.2 Ų71.274%0.73835%0.346SS*.SBendtrans-105.9-18-176.2-53.7-55.6000113.7C158 Y162C158-D160 PolarHBondContact O-N 2.85Å; D160-Y162 PolarHBondContact O-N 3.46Å
161D95.9Very high94.4Very high30 Ų3072.6 Ų72.616%0.1635%0.35CS..  trans-92.385.5175.2-80.9-75.1000111.2C158 I176 W238 R242C158-D161 HydrophobicContact CB-CB 4.03Å; C158-D161 PolarHBondContact SG-OD2 2.94Å; D161-I176 PolarHBondContact O-N 3.26Å; D161-W238 PolarHBondContact OD1-NE1 3.47Å; D161-R242 VanDerWaalsContact CG-NH2 3.25Å; D161-R242 IonicContact OD1-CZ 3.58Å; D161-R242 IonicContact OD1-NE 3.6Å; D161-R242 IonicContact OD1-NH2 2.73Å; D161-R242 PolarHBondContact OD1-NH2 3Å; D161-R242 IonicContact OD2-NH2 3Å; D161-R242 PolarHBondContact OD2-NH2 3.23Å
162Y97.7Very high94.5Very high88 Ų8871.4 Ų71.435%0.34535%0.345SS..EExtended strand (participates in β ladder)trans-139.8163.9175.160.4-91.1000112.8K159 D160 E164 R173 L174 Y175K159-Y162 WeakPolarHBondContact O-CD1 3.38Å; K159-Y162 WeakPolarHBondContact O-CE1 3.42Å; D160-Y162 PolarHBondContact O-N 3.46Å; Y162-E164 HydrophobicContact CD2-CB 3.97Å; Y162-E164 HydrophobicContact CE2-CB 3.97Å; Y162-R173 HydrophobicContact CD2-CG 3.66Å; Y162-R173 HydrophobicContact CE2-CG 4.4Å; Y162-R173 HydrophobicContact CG-CG 3.95Å; Y162-L174 CarbonylContact C-O 3.55Å; Y162-L174 VanDerWaalsContact CA-O 3.28Å; Y162-L174 WeakPolarHBondContact CA-O 3.36Å; Y162-L174 WeakPolarHBondContact CB-O 3.45Å; Y162-Y175 HydrophobicContact CD1-CD1 4.43Å; Y162-Y175 AromaticContact CD1-CE1 3.92Å; Y162-Y175 HydrophobicContact CD1-CE1 3.92Å; Y162-Y175 HydrophobicContact CG-CE1 4.28Å
163I97.7Very high94.5Very high15 Ų1570.5 Ų70.58%0.07734%0.337CS..EExtended strand (participates in β ladder)trans-115.7117.1169.1-47.5-171.9000107.5I103 L165 R173 L174 I176 F231 P234 L235I103-I163 HydrophobicContact CD1-CD1 3.61Å; I103-I163 HydrophobicContact CD1-CG1 4.22Å; I163-L165 HydrophobicContact CG2-CG 4.46Å; I163-R173 WeakPolarHBondContact O-CA 3.35Å; I163-L174 PolarHBondContact N-O 2.91Å; I163-L174 PolarHBondContact O-N 3.45Å; I163-I176 HydrophobicContact CD1-CD1 4.06Å; I163-I176 HydrophobicContact CG1-CD1 3.82Å; I163-I176 HydrophobicContact CG1-CG1 4.16Å; I163-F231 HydrophobicContact CB-CD1 4.2Å; I163-F231 HydrophobicContact CG2-CD1 3.89Å; I163-P234 HydrophobicContact CD1-CB 3.96Å; I163-P234 HydrophobicContact CG2-CB 3.65Å; I163-P234 HydrophobicContact CG2-CG 4.35Å; I163-L235 HydrophobicContact CD1-CB 4.05Å
164E97.8Very high94.6Very high75 Ų7570.5 Ų70.535%0.3534%0.337SS..EExtended strand (participates in β ladder)trans-113.2132.8176.5178161.586.800110.7Y162 L171 A172 R173Y162-E164 HydrophobicContact CD2-CB 3.97Å; Y162-E164 HydrophobicContact CE2-CB 3.97Å; E164-L171 HydrophobicContact CG-CD1 4.39Å; E164-L171 HydrophobicContact CG-CG 4.31Å; E164-A172 WeakPolarHBondContact CA-O 3.39Å; E164-R173 HydrophobicContact CB-CB 4.14Å; E164-R173 HydrophobicContact CB-CG 4.34Å; E164-R173 VanDerWaalsContact CD-NH2 3.3Å; E164-R173 HydrophobicContact CG-CB 4.26Å; E164-R173 IonicContact OE1-NH2 3.33Å; E164-R173 PolarHBondContact OE1-NH2 3.25Å; E164-R173 IonicContact OE2-CZ 3.58Å; E164-R173 IonicContact OE2-NE 2.66Å; E164-R173 PolarHBondContact OE2-NE 3.33Å; E164-R173 IonicContact OE2-NH2 3.6Å; E164-R173 PolarHBondContact OE2-NH2 3.3Å
165L96.4Very high94.7Very high50 Ų5065.2 Ų65.226%0.26231%0.314SS..EExtended strand (participates in β ladder)trans-138.5145.9178.4-61.7174.5000109.5I163 I167 A172 P230 F231I163-L165 HydrophobicContact CG2-CG 4.46Å; L165-I167 HydrophobicContact CB-CD1 4.12Å; L165-I167 HydrophobicContact CB-CG1 3.98Å; L165-I167 HydrophobicContact CD1-CD1 4.36Å; L165-A172 PolarHBondContact N-O 3.03Å; L165-A172 PolarHBondContact O-N 2.69Å; L165-P230 HydrophobicContact CD1-CB 3.72Å; L165-P230 WeakPolarHBondContact CD1-O 3.36Å; L165-F231 HydrophobicContact CB-CE1 4.35Å; L165-F231 HydrophobicContact CD1-CD1 3.73Å; L165-F231 HydrophobicContact CD1-CE1 3.72Å; L165-F231 HydrophobicContact CD1-CG 4.15Å; L165-F231 HydrophobicContact CD1-CZ 4.12Å; L165-F231 HydrophobicContact CG-CD1 4.36Å; L165-F231 HydrophobicContact CG-CE1 4.07Å
166R94.3Very high94.9Very high168 Ų16858.2 Ų58.263%0.63428%0.277SS*.EExtended strand (participates in β ladder)trans-94124160.9174.2166.6-90.9-130.9-2.9108.6D169 Q170R166-D169 IonicContact CZ-OD1 2.64Å; R166-D169 PolarHBondContact NE-O 2.98Å; R166-D169 IonicContact NE-OD1 3.92Å; R166-D169 IonicContact NH1-OD1 3.82Å; R166-D169 PolarHBondContact NH1-OD1 2.91Å; R166-D169 PolarHBondContact NH2-O 3.42Å; R166-Q170 CarbonylContact C-O 3.58Å; R166-Q170 WeakPolarHBondContact CA-O 3.37Å
167I88.2Confident95Very high49 Ų4953.8 Ų53.825%0.25126%0.259SS..EExtended strand (participates in β ladder)trans-132.6114.4-175.3-55.1168.2000107.3L165 D169 Q170 A172 P230 F231L165-I167 HydrophobicContact CB-CD1 4.12Å; L165-I167 HydrophobicContact CB-CG1 3.98Å; L165-I167 HydrophobicContact CD1-CD1 4.36Å; I167-D169 PolarHBondContact O-N 3.2Å; I167-Q170 PolarHBondContact N-O 2.76Å; I167-Q170 WeakPolarHBondContact O-CB 3.45Å; I167-Q170 PolarHBondContact O-N 2.95Å; I167-Q170 VanDerWaalsContact O-N 3.13Å; I167-A172 HydrophobicContact CD1-CB 4.44Å; I167-P230 HydrophobicContact CD1-CB 3.87Å; I167-P230 HydrophobicContact CD1-CG 4.01Å; I167-F231 HydrophobicContact CD1-CE2 3.85Å; I167-F231 HydrophobicContact CD1-CZ 3.86Å
168N85.1Confident95Very high112 Ų11255.3 Ų55.360%0.59927%0.271SS*.THydrogen-bonded Turntrans48.548.6-174.3-53.2-10.3000111.5Q170N168-Q170 PolarHBondContact O-N 2.98Å
169D84.1Confident94.9Very high103 Ų10354.9 Ų54.955%0.55127%0.274SS*.THydrogen-bonded Turntrans60.4-8.5-176.5-64.4-67.1000118.2R166 I167R166-D169 IonicContact CZ-OD1 2.64Å; R166-D169 PolarHBondContact NE-O 2.98Å; R166-D169 IonicContact NE-OD1 3.92Å; R166-D169 IonicContact NH1-OD1 3.82Å; R166-D169 PolarHBondContact NH1-OD1 2.91Å; R166-D169 PolarHBondContact NH2-O 3.42Å; I167-D169 PolarHBondContact O-N 3.2Å
170Q91.4Very high95Very high19 Ų1949.4 Ų49.49%0.08925%0.25CS..EExtended strand (participates in β ladder)trans-68.7130.3163.4-171.9170.69100110.4M95 T99 R166 I167 N168M95-Q170 WeakPolarHBondContact O-CB 3.41Å; M95-Q170 PolarHBondContact O-NE2 2.94Å; T99-Q170 HydrophobicContact CG2-CG 4.46Å; R166-Q170 CarbonylContact C-O 3.58Å; R166-Q170 WeakPolarHBondContact CA-O 3.37Å; I167-Q170 PolarHBondContact N-O 2.76Å; I167-Q170 WeakPolarHBondContact O-CB 3.45Å; I167-Q170 PolarHBondContact O-N 2.95Å; I167-Q170 VanDerWaalsContact O-N 3.13Å; N168-Q170 PolarHBondContact O-N 2.98Å
171L95.1Very high94.9Very high46 Ų4644.9 Ų44.924%0.24123%0.229CC..EExtended strand (participates in β ladder)trans-80.1129.6164.8179.9144.7000109.1P98 T99 Y100 E164P98-L171 CarbonylContact C-O 3.6Å; P98-L171 WeakPolarHBondContact CA-O 3.32Å; P98-L171 HydrophobicContact CB-CB 4.33Å; P98-L171 HydrophobicContact CB-CD2 4.06Å; T99-L171 PolarHBondContact N-O 3.24Å; T99-L171 PolarHBondContact OG1-O 2.94Å; Y100-L171 HydrophobicContact CE1-CD2 3.98Å; E164-L171 HydrophobicContact CG-CD1 4.39Å; E164-L171 HydrophobicContact CG-CG 4.31Å
172A96.7Very high94.8Very high2 Ų247.8 Ų47.82%0.01724%0.24CC..EExtended strand (participates in β ladder)trans-132.7115.9179.400000110.2T99 E164 L165 I167 F231T99-A172 WeakPolarHBondContact O-CA 3.25Å; T99-A172 WeakPolarHBondContact OG1-CB 3.36Å; E164-A172 WeakPolarHBondContact CA-O 3.39Å; L165-A172 PolarHBondContact N-O 3.03Å; L165-A172 PolarHBondContact O-N 2.69Å; I167-A172 HydrophobicContact CD1-CB 4.44Å; A172-F231 HydrophobicContact CB-CZ 3.93Å
173R97.9Very high94.6Very high41 Ų4149.7 Ų49.716%0.15526%0.256CS..EExtended strand (participates in β ladder)trans-120.2123.7179.5171.5-168.6-56.6-150.7-5.6110.8T99 Y100 G101 Y162 I163 E164 Y175T99-R173 PolarHBondContact O-N 3.44Å; Y100-R173 WeakPolarHBondContact CA-O 3.41Å; Y100-R173 HydrophobicContact CD1-CB 3.72Å; Y100-R173 HydrophobicContact CD1-CG 4.23Å; Y100-R173 HydrophobicContact CE1-CB 3.82Å; Y100-R173 HydrophobicContact CE1-CG 4.42Å; G101-R173 PolarHBondContact N-O 3.43Å; Y162-R173 HydrophobicContact CD2-CG 3.66Å; Y162-R173 HydrophobicContact CE2-CG 4.4Å; Y162-R173 HydrophobicContact CG-CG 3.95Å; I163-R173 WeakPolarHBondContact O-CA 3.35Å; E164-R173 HydrophobicContact CB-CB 4.14Å; E164-R173 HydrophobicContact CB-CG 4.34Å; E164-R173 VanDerWaalsContact CD-NH2 3.3Å; E164-R173 HydrophobicContact CG-CB 4.26Å; E164-R173 IonicContact OE1-NH2 3.33Å; E164-R173 PolarHBondContact OE1-NH2 3.25Å; E164-R173 IonicContact OE2-CZ 3.58Å; E164-R173 IonicContact OE2-NE 2.66Å; E164-R173 PolarHBondContact OE2-NE 3.33Å; E164-R173 IonicContact OE2-NH2 3.6Å; E164-R173 PolarHBondContact OE2-NH2 3.3Å; R173-Y175 HydrophobicContact CG-CE2 4.26Å
174L98.5Very high94.5Very high0 Ų050.5 Ų50.50%026%0.262CS..EExtended strand (participates in β ladder)trans-116.2122.5177.6-54.1178.6000110.5G101 I103 F126 K128 Y162 I163 F231G101-L174 WeakPolarHBondContact O-CA 3.42Å; I103-L174 HydrophobicContact CD1-CB 4.28Å; I103-L174 HydrophobicContact CD1-CD1 4.29Å; I103-L174 HydrophobicContact CG1-CB 3.83Å; I103-L174 HydrophobicContact CG1-CD1 3.87Å; F126-L174 HydrophobicContact CB-CD1 3.62Å; F126-L174 HydrophobicContact CB-CD2 4.36Å; F126-L174 HydrophobicContact CD2-CD1 3.58Å; F126-L174 HydrophobicContact CE2-CD1 4.46Å; F126-L174 HydrophobicContact CG-CD1 3.69Å; K128-L174 HydrophobicContact CB-CD2 3.85Å; K128-L174 HydrophobicContact CD-CD2 3.94Å; K128-L174 HydrophobicContact CG-CD2 4.46Å; Y162-L174 CarbonylContact C-O 3.55Å; Y162-L174 VanDerWaalsContact CA-O 3.28Å; Y162-L174 WeakPolarHBondContact CA-O 3.36Å; Y162-L174 WeakPolarHBondContact CB-O 3.45Å; I163-L174 PolarHBondContact N-O 2.91Å; I163-L174 PolarHBondContact O-N 3.45Å; L174-F231 HydrophobicContact CD1-CD1 3.68Å; L174-F231 HydrophobicContact CD1-CD2 3.9Å; L174-F231 HydrophobicContact CD1-CE1 3.74Å; L174-F231 HydrophobicContact CD1-CE2 3.96Å; L174-F231 HydrophobicContact CD1-CG 3.77Å; L174-F231 HydrophobicContact CD1-CZ 3.89Å; L174-F231 HydrophobicContact CG-CD1 4.19Å; L174-F231 HydrophobicContact CG-CE1 3.87Å; L174-F231 HydrophobicContact CG-CZ 4.13Å
175Y98.6Very high94.3Very high4 Ų455.6 Ų55.62%0.01628%0.283CS..EExtended strand (participates in β ladder)trans-76.6139.7174.7-71.6-85000110.9G101 A102 I103 P137 H138 A141 I157 C158 Y162 R173G101-Y175 PolarHBondContact O-N 2.91Å; A102-Y175 CarbonylContact C-O 3.51Å; A102-Y175 VanDerWaalsContact CA-O 3.23Å; A102-Y175 WeakPolarHBondContact CA-O 3.37Å; I103-Y175 PolarHBondContact N-O 2.91Å; P137-Y175 HydrophobicContact CB-CE2 4.46Å; H138-Y175 HydrophobicContact CB-CE2 4.3Å; A141-Y175 HydrophobicContact CB-CD2 3.63Å; A141-Y175 HydrophobicContact CB-CE2 4.04Å; I157-Y175 HydrophobicContact CD1-CD1 3.98Å; I157-Y175 HydrophobicContact CD1-CD2 3.68Å; I157-Y175 HydrophobicContact CD1-CE1 4.46Å; I157-Y175 HydrophobicContact CD1-CE2 4.18Å; I157-Y175 HydrophobicContact CD1-CG 3.55Å; I157-Y175 HydrophobicContact CG1-CD1 3.79Å; I157-Y175 HydrophobicContact CG1-CD2 4.39Å; I157-Y175 HydrophobicContact CG1-CE1 4.41Å; I157-Y175 HydrophobicContact CG1-CG 3.77Å; C158-Y175 WeakPolarHBondContact O-CD1 3.13Å; Y162-Y175 HydrophobicContact CD1-CD1 4.43Å; Y162-Y175 AromaticContact CD1-CE1 3.92Å; Y162-Y175 HydrophobicContact CD1-CE1 3.92Å; Y162-Y175 HydrophobicContact CG-CE1 4.28Å; R173-Y175 HydrophobicContact CG-CE2 4.26Å
176I98Very high94.2Very high2 Ų254.8 Ų54.81%0.0128%0.277CS..EExtended strand (participates in β ladder)trans-91.2120.3-178.4-55.4174.2000108.8L105 D161 I163 P178 W238L105-I176 HydrophobicContact CD1-CG2 3.75Å; D161-I176 PolarHBondContact O-N 3.26Å; I163-I176 HydrophobicContact CD1-CD1 4.06Å; I163-I176 HydrophobicContact CG1-CD1 3.82Å; I163-I176 HydrophobicContact CG1-CG1 4.16Å; I176-P178 WeakPolarHBondContact O-CD 3.44Å; I176-W238 HydrophobicContact CB-CZ2 4.34Å; I176-W238 HydrophobicContact CD1-CB 4.12Å; I176-W238 HydrophobicContact CD1-CD2 3.52Å; I176-W238 HydrophobicContact CD1-CE3 4.15Å; I176-W238 HydrophobicContact CD1-CG 3.49Å; I176-W238 VanDerWaalsContact CD1-CG 3.49Å; I176-W238 HydrophobicContact CD1-CZ2 4.32Å; I176-W238 HydrophobicContact CG2-CD2 4.32Å; I176-W238 HydrophobicContact CG2-CE3 4.07Å; I176-W238 HydrophobicContact CG2-CH2 3.66Å; I176-W238 HydrophobicContact CG2-CZ2 3.91Å; I176-W238 HydrophobicContact CG2-CZ3 3.74Å
177I97.7Very high94.2Very high0 Ų051.3 Ų51.30%027%0.271CS..EExtended strand (participates in β ladder)trans-117.889.5-173.8-57.3-61.6000108.5A102 I103 I104 L105 I153 Y156 I157 V180A102-I177 HydrophobicContact CB-CG1 3.85Å; I103-I177 PolarHBondContact O-N 3.36Å; I104-I177 HydrophobicContact CG1-CB 4.21Å; I104-I177 HydrophobicContact CG1-CG2 4.44Å; L105-I177 PolarHBondContact N-O 3.3Å; I153-I177 HydrophobicContact CB-CD1 4.35Å; I153-I177 HydrophobicContact CB-CG1 4.48Å; I153-I177 HydrophobicContact CD1-CD1 4.38Å; I153-I177 HydrophobicContact CD1-CG1 4.31Å; I153-I177 HydrophobicContact CG2-CG1 4.41Å; I153-I177 HydrophobicContact CG2-CG2 4.29Å; Y156-I177 HydrophobicContact CD1-CG2 4.44Å; Y156-I177 HydrophobicContact CG-CG2 4.3Å; I157-I177 HydrophobicContact CB-CD1 4.1Å; I157-I177 HydrophobicContact CG1-CD1 4.38Å; I177-V180 HydrophobicContact CG2-CG2 3.9Å
178P96Very high94.3Very high57 Ų5751.5 Ų51.537%0.3728%0.276SS..EExtended strand (participates in β ladder)trans-81.4151.3-177.832.7-35.1000113.6L105 L109 I176L105-P178 HydrophobicContact CD1-CB 4.43Å; L109-P178 HydrophobicContact CD2-CB 3.69Å; I176-P178 WeakPolarHBondContact O-CD 3.44Å
179G94.7Very high94.4Very high38 Ų3848.9 Ų48.939%0.39226%0.259SS..EExtended strand (participates in β ladder)trans80.528.2164.700000115.8L105L105-G179 PolarHBondContact O-N 3.5Å
180V96.3Very high94.2Very high0 Ų044.9 Ų44.90%024%0.238CC..EExtended strand (participates in β ladder)trans-79.7128.9176.81760000110.3I104 L105 D106 E107 F151 I177 K182 T184 F186 W199I104-V180 HydrophobicContact CG2-CB 3.84Å; I104-V180 HydrophobicContact CG2-CG1 4.21Å; I104-V180 HydrophobicContact CG2-CG2 3.66Å; L105-V180 PolarHBondContact O-N 2.92Å; D106-V180 WeakPolarHBondContact CA-O 3.47Å; E107-V180 PolarHBondContact N-O 2.91Å; F151-V180 HydrophobicContact CE1-CG1 4.02Å; F151-V180 HydrophobicContact CE1-CG2 3.75Å; F151-V180 HydrophobicContact CE2-CG1 4.2Å; F151-V180 HydrophobicContact CZ-CB 4.42Å; F151-V180 HydrophobicContact CZ-CG1 3.71Å; F151-V180 HydrophobicContact CZ-CG2 3.8Å; I177-V180 HydrophobicContact CG2-CG2 3.9Å; V180-K182 PolarHBondContact O-N 3.21Å; V180-T184 HydrophobicContact CG1-CG2 4.34Å; V180-F186 HydrophobicContact CG1-CZ 4.15Å; V180-W199 HydrophobicContact CB-CH2 4.37Å; V180-W199 HydrophobicContact CG1-CH2 4.48Å
181P95.6Very high93.7Very high44 Ų4448.5 Ų48.529%0.28625%0.251SS..  trans-56.4133.3-179.5-28.636.5000113.2E107 D183 T184E107-P181 WeakPolarHBondContact OE2-CA 3.07Å; P181-D183 WeakPolarHBondContact CB-OD1 3.31Å; P181-D183 PolarHBondContact O-N 2.69Å; P181-T184 WeakPolarHBondContact O-CB 3.11Å; P181-T184 PolarHBondContact O-N 3.07Å; P181-T184 PolarHBondContact O-OG1 3.37Å
182K93.2Very high93Very high90 Ų9050.8 Ų50.839%0.39126%0.256SS..THydrogen-bonded Turntrans-68.3-22.3-170.3-158.7170.5-164.8145.90113.6D106 E107 N111 V180 T184 W199D106-K182 HydrophobicContact CB-CG 4.42Å; D106-K182 WeakPolarHBondContact OD2-CD 3.46Å; D106-K182 VanDerWaalsContact OD2-CE 3.25Å; D106-K182 WeakPolarHBondContact OD2-CE 3.36Å; D106-K182 IonicContact OD2-NZ 2.68Å; D106-K182 PolarHBondContact OD2-NZ 2.88Å; E107-K182 PolarHBondContact OE2-N 3.13Å; N111-K182 PolarHBondContact ND2-NZ 3.2Å; V180-K182 PolarHBondContact O-N 3.21Å; K182-T184 VanDerWaalsContact C-N 3.32Å; K182-W199 HydrophobicContact CG-CD2 4.5Å; K182-W199 HydrophobicContact CG-CG 4.38Å; K182-W199 PolarHBondContact O-NE1 3.5Å
183D94.4Very high92.5Very high128 Ų12851.2 Ų51.268%0.68426%0.258SS*.THydrogen-bonded Turntrans-84.70.4175.573.1-39.9000114P181 K185P181-D183 WeakPolarHBondContact CB-OD1 3.31Å; P181-D183 PolarHBondContact O-N 2.69Å; D183-K185 PolarHBondContact O-N 2.99Å
184T94.5Very high92.1Very high33 Ų3350.1 Ų50.120%0.20226%0.255CS..  trans-51125.2176.1-65.50000111.3F151 V180 P181 K182 F186F151-T184 HydrophobicContact CD2-CG2 3.65Å; F151-T184 HydrophobicContact CE2-CG2 3.92Å; F151-T184 HydrophobicContact CG-CG2 4.38Å; V180-T184 HydrophobicContact CG1-CG2 4.34Å; P181-T184 WeakPolarHBondContact O-CB 3.11Å; P181-T184 PolarHBondContact O-N 3.07Å; P181-T184 PolarHBondContact O-OG1 3.37Å; K182-T184 VanDerWaalsContact C-N 3.32Å; T184-F186 HydrophobicContact CG2-CD1 4.18Å; T184-F186 HydrophobicContact CG2-CE1 3.64Å; T184-F186 HydrophobicContact CG2-CE2 4.02Å; T184-F186 HydrophobicContact CG2-CZ 3.55Å; T184-F186 WeakPolarHBondContact O-CD2 3.4Å; T184-F186 WeakPolarHBondContact O-CE2 3.45Å; T184-F186 PolarHBondContact O-N 3.32Å
185K93.9Very high91.7Very high181 Ų18156.6 Ų56.679%0.78728%0.28SS*.  trans-86.178.6-172.7-65.3-177.1-178.4174.50112D183 N187D183-K185 PolarHBondContact O-N 2.99Å; K185-N187 PolarHBondContact O-N 2.91Å; K185-N187 PolarHBondContact O-ND2 3.49Å
186F94.6Very high91.4Very high33 Ų3359.3 Ų59.315%0.14530%0.295CS..  trans-60.1130.3172-53.3-73.4000111.3L113 T149 F151 V180 T184 I197 W199L113-F186 HydrophobicContact CD1-CD2 3.71Å; L113-F186 HydrophobicContact CD1-CE2 3.47Å; L113-F186 VanDerWaalsContact CD1-CE2 3.47Å; L113-F186 HydrophobicContact CD1-CG 4.38Å; L113-F186 HydrophobicContact CD1-CZ 3.94Å; L113-F186 HydrophobicContact CD2-CD1 3.69Å; L113-F186 HydrophobicContact CD2-CD2 4.1Å; L113-F186 HydrophobicContact CD2-CE1 3.5Å; L113-F186 HydrophobicContact CD2-CE2 3.94Å; L113-F186 HydrophobicContact CD2-CG 3.98Å; L113-F186 HydrophobicContact CD2-CZ 3.64Å; L113-F186 HydrophobicContact CG-CE2 4.35Å; L113-F186 HydrophobicContact CG-CZ 4.4Å; T149-F186 CarbonylContact O-C 3.52Å; T149-F186 VanDerWaalsContact O-CA 3.27Å; T149-F186 WeakPolarHBondContact O-CA 3.45Å; F151-F186 HydrophobicContact CB-CD1 3.85Å; F151-F186 HydrophobicContact CB-CE1 3.76Å; F151-F186 HydrophobicContact CD1-CE1 4.25Å; F151-F186 HydrophobicContact CD2-CE1 4.45Å; F151-F186 AromaticContact CG-CE1 3.94Å; F151-F186 HydrophobicContact CG-CE1 3.94Å; V180-F186 HydrophobicContact CG1-CZ 4.15Å; T184-F186 HydrophobicContact CG2-CD1 4.18Å; T184-F186 HydrophobicContact CG2-CE1 3.64Å; T184-F186 HydrophobicContact CG2-CE2 4.02Å; T184-F186 HydrophobicContact CG2-CZ 3.55Å; T184-F186 WeakPolarHBondContact O-CD2 3.4Å; T184-F186 WeakPolarHBondContact O-CE2 3.45Å; T184-F186 PolarHBondContact O-N 3.32Å; F186-I197 HydrophobicContact CB-CB 4.49Å; F186-I197 HydrophobicContact CB-CD1 3.8Å; F186-I197 HydrophobicContact CB-CG2 4.12Å; F186-I197 HydrophobicContact CD2-CG2 4.48Å; F186-I197 HydrophobicContact CG-CG2 4.31Å; F186-W199 AromaticContact CE2-CZ2 3.82Å; F186-W199 HydrophobicContact CE2-CZ2 3.82Å; F186-W199 AromaticContact CZ-CZ2 3.96Å; F186-W199 HydrophobicContact CZ-CZ2 3.96Å
187N93Very high91.3Very high95 Ų9561 Ų6151%0.50830%0.303SS..  trans-149.9103.3-175.9-79.4-94.9000108.7T149 G150 K185 K189T149-N187 CarbonylContact O-C 3.54Å; T149-N187 PolarHBondContact O-N 3.33Å; G150-N187 VanDerWaalsContact CA-O 3.27Å; G150-N187 WeakPolarHBondContact CA-O 3.23Å; K185-N187 PolarHBondContact O-N 2.91Å; K185-N187 PolarHBondContact O-ND2 3.49Å; N187-K189 PolarHBondContact O-NZ 2.88Å
188P91.1Very high91.2Very high53 Ų5364.9 Ų64.934%0.34432%0.321SS..  trans-49.9144.4178-24.930.4000113E148 I194 I197E148-P188 WeakPolarHBondContact O-CA 3.46Å; E148-P188 WeakPolarHBondContact O-CB 3.39Å; E148-P188 WeakPolarHBondContact O-CG 3.28Å; P188-I194 HydrophobicContact CB-CB 4.33Å; P188-I194 HydrophobicContact CG-CB 3.91Å; P188-I194 HydrophobicContact CG-CG2 4.07Å; P188-I197 HydrophobicContact CG-CD1 4.01Å
189K87.7Confident91.2Very high57 Ų5764.8 Ų64.825%0.24831%0.314CS..SBendtrans-91.6-19.3172.4-51.3-57.5-174.9-1280112F146 E147 G150 N187 L356F146-K189 HydrophobicContact CD1-CG 4.34Å; F146-K189 HydrophobicContact CE1-CD 4.43Å; F146-K189 HydrophobicContact CE1-CG 4.15Å; F146-K189 HydrophobicContact CZ-CD 4.44Å; F146-K189 WeakPolarHBondContact O-CG 3.49Å; E147-K189 PolarHBondContact O-N 2.94Å; G150-K189 PolarHBondContact O-NZ 3.38Å; N187-K189 PolarHBondContact O-NZ 2.88Å; K189-L356 VanDerWaalsContact O-CD2 3.31Å; K189-L356 WeakPolarHBondContact O-CD2 3.16Å
190T80.1Confident91.2Very high19 Ų1963.4 Ų63.412%0.11730%0.297CS..SBendtrans-91.7155.3177.4530000111.8E193T190-E193 WeakPolarHBondContact CB-OE1 3.48Å; T190-E193 WeakPolarHBondContact CB-OE2 3.22Å; T190-E193 WeakPolarHBondContact CG2-OE1 3.46Å; T190-E193 PolarHBondContact OG1-OE1 3.14Å
191R80.6Confident91.1Very high96 Ų9664.3 Ų64.336%0.36230%0.303SS..SBendtrans-95.8149.1178.2-68.9179.2170.7-160.2-4.2109.3D48 E193 L356 R359D48-R191 VanDerWaalsContact OD1-CB 3.27Å; D48-R191 WeakPolarHBondContact OD1-CB 3.35Å; R191-E193 WeakPolarHBondContact O-CB 3.26Å; R191-E193 PolarHBondContact O-N 3.37Å; R191-L356 HydrophobicContact CG-CD1 4.45Å; R191-R359 PolarHBondContact O-NH1 3.49Å; R191-R359 PolarHBondContact O-NH2 3.09Å
192R81Confident91Very high93 Ų9362.7 Ų62.735%0.35129%0.292SS..SBendtrans41.949.7169-61.9175.5170-169-5.8113.2L47 Q52 Y118 R359L47-R192 PolarHBondContact O-NH1 3.16Å; Q52-R192 VanDerWaalsContact NE2-CZ 3.35Å; Y118-R192 HydrophobicContact CD1-CB 4.06Å; Y118-R192 HydrophobicContact CD2-CB 4.43Å; Y118-R192 HydrophobicContact CE1-CB 4.06Å; Y118-R192 HydrophobicContact CE1-CG 4.28Å; Y118-R192 HydrophobicContact CE2-CB 4.42Å; Y118-R192 HydrophobicContact CE2-CG 4.41Å; Y118-R192 HydrophobicContact CG-CB 4.26Å; R192-R359 PolarHBondContact O-NH1 3.33Å; R192-R359 VanDerWaalsContact O-NH1 3.15Å
193E84.6Confident90.9Very high11 Ų1164.8 Ų64.85%0.05130%0.303CS..SBendtrans-139.8-62.2-170-166.817894.600110G117 Y118 T190 R191 R359 Q362G117-E193 CarbonylContact C-O 3.58Å; G117-E193 WeakPolarHBondContact CA-O 3.48Å; Y118-E193 WeakPolarHBondContact CB-O 3.15Å; Y118-E193 PolarHBondContact N-O 3.33Å; T190-E193 WeakPolarHBondContact CB-OE1 3.48Å; T190-E193 WeakPolarHBondContact CB-OE2 3.22Å; T190-E193 WeakPolarHBondContact CG2-OE1 3.46Å; T190-E193 PolarHBondContact OG1-OE1 3.14Å; R191-E193 WeakPolarHBondContact O-CB 3.26Å; R191-E193 PolarHBondContact O-N 3.37Å; E193-R359 WeakPolarHBondContact OE2-CD 3.45Å; E193-R359 IonicContact OE2-NH1 3.71Å; E193-R359 PolarHBondContact OE2-NH1 3.49Å; E193-Q362 VanDerWaalsContact CG-OE1 3.29Å
194I90Very high90.7Very high19 Ų1962.5 Ų62.510%0.09729%0.287CS..EExtended strand (participates in β ladder)trans-90.3137.7160.4-55.6-49.5000109.3V115 Q116 E148 P188 N196 I197V115-I194 HydrophobicContact CB-CD1 4.03Å; V115-I194 HydrophobicContact CB-CG2 4.23Å; V115-I194 HydrophobicContact CG2-CD1 4.06Å; Q116-I194 WeakPolarHBondContact O-CA 3.12Å; E148-I194 HydrophobicContact CB-CD1 4.16Å; E148-I194 HydrophobicContact CB-CG1 3.89Å; E148-I194 HydrophobicContact CG-CD1 4.03Å; E148-I194 HydrophobicContact CG-CG1 4.13Å; P188-I194 HydrophobicContact CB-CB 4.33Å; P188-I194 HydrophobicContact CG-CB 3.91Å; P188-I194 HydrophobicContact CG-CG2 4.07Å; I194-N196 WeakPolarHBondContact CG2-O 3.32Å; I194-I197 HydrophobicContact CG2-CD1 4.26Å; I194-I197 HydrophobicContact CG2-CG1 3.69Å
195R90.3Very high90.5Very high135 Ų13561 Ų6151%0.50928%0.278SS..EExtended strand (participates in β ladder)trans-103.5-52.2179.3-177177.4171.8-138.84.8111.9Q116 Y118 K121Q116-R195 PolarHBondContact O-N 3.14Å; Y118-R195 HydrophobicContact CD2-CB 4.35Å; K121-R195 PolarHBondContact O-NH1 3.02Å
196N92.8Very high90.2Very high62 Ų6252.4 Ų52.433%0.33224%0.24SC..EExtended strand (participates in β ladder)trans-131154.4175.6-71.234.6000109.7Q116 W124 I194 E198Q116-N196 HydrophobicContact CB-CB 4.23Å; Q116-N196 PolarHBondContact N-O 2.96Å; W124-N196 HydrophobicContact CH2-CB 3.49Å; W124-N196 VanDerWaalsContact CH2-CB 3.49Å; W124-N196 HydrophobicContact CZ2-CB 4.24Å; W124-N196 HydrophobicContact CZ3-CB 4.17Å; I194-N196 WeakPolarHBondContact CG2-O 3.32Å; N196-E198 PolarHBondContact ND2-OE1 3.28Å
197I95Very high89.7Confident37 Ų3752.7 Ų52.719%0.1925%0.246CC..EExtended strand (participates in β ladder)trans-130.6123.1166.3-52.4-179.4000106.2L113 L114 V115 T149 F186 P188 I194L113-I197 HydrophobicContact CD1-CG2 3.7Å; L113-I197 HydrophobicContact CD2-CG2 3.86Å; L113-I197 HydrophobicContact CG-CG2 3.71Å; L114-I197 WeakPolarHBondContact O-CA 3.46Å; V115-I197 HydrophobicContact CG1-CG1 4.17Å; V115-I197 HydrophobicContact CG1-CG2 4.35Å; T149-I197 HydrophobicContact CG2-CD1 4.42Å; F186-I197 HydrophobicContact CB-CB 4.49Å; F186-I197 HydrophobicContact CB-CD1 3.8Å; F186-I197 HydrophobicContact CB-CG2 4.12Å; F186-I197 HydrophobicContact CD2-CG2 4.48Å; F186-I197 HydrophobicContact CG-CG2 4.31Å; P188-I197 HydrophobicContact CG-CD1 4.01Å; I194-I197 HydrophobicContact CG2-CD1 4.26Å; I194-I197 HydrophobicContact CG2-CG1 3.69Å
198E95.2Very high89.2Confident81 Ų8153.1 Ų53.138%0.37925%0.245SC..EExtended strand (participates in β ladder)trans-140.6149.9-174.6-75.3170-133.800111.3L114 W124 N196 F200L114-E198 PolarHBondContact N-O 2.66Å; L114-E198 PolarHBondContact O-N 3.41Å; W124-E198 HydrophobicContact CH2-CB 3.69Å; W124-E198 VanDerWaalsContact CH2-CD 3.43Å; W124-E198 HydrophobicContact CH2-CG 3.73Å; W124-E198 WeakPolarHBondContact CH2-OE1 3.39Å; W124-E198 HydrophobicContact CZ2-CB 4.48Å; W124-E198 HydrophobicContact CZ2-CG 4.46Å; W124-E198 HydrophobicContact CZ3-CB 4.03Å; W124-E198 HydrophobicContact CZ3-CG 4.47Å; N196-E198 PolarHBondContact ND2-OE1 3.28Å; E198-F200 HydrophobicContact CB-CD2 4.33Å; E198-F200 HydrophobicContact CB-CE2 3.58Å; E198-F200 HydrophobicContact CB-CZ 3.99Å; E198-F200 WeakPolarHBondContact O-CD2 3.46Å
199W96.5Very high88.5Confident56 Ų5658.3 Ų58.321%0.21226%0.258CS..EExtended strand (participates in β ladder)trans-85.4126173.2-72.8112.2000110.5I104 D106 N111 V112 L113 V180 K182 F186I104-W199 HydrophobicContact CG2-CH2 3.96Å; I104-W199 HydrophobicContact CG2-CZ3 4.37Å; D106-W199 HydrophobicContact CB-CE3 4.16Å; D106-W199 HydrophobicContact CB-CH2 3.81Å; D106-W199 HydrophobicContact CB-CZ2 4.24Å; D106-W199 HydrophobicContact CB-CZ3 3.78Å; N111-W199 HydrophobicContact CB-CB 4.5Å; N111-W199 HydrophobicContact CB-CE3 4.23Å; V112-W199 VanDerWaalsContact C-CE3 3.47Å; V112-W199 CarbonylContact O-C 3.33Å; V112-W199 WeakPolarHBondContact O-CA 3.23Å; L113-W199 HydrophobicContact CB-CE3 4.1Å; L113-W199 HydrophobicContact CB-CH2 4.4Å; L113-W199 HydrophobicContact CB-CZ3 3.96Å; L113-W199 HydrophobicContact CD1-CD2 3.79Å; L113-W199 HydrophobicContact CD1-CE3 4.11Å; L113-W199 HydrophobicContact CD1-CG 4.23Å; L113-W199 HydrophobicContact CD1-CH2 4.46Å; L113-W199 HydrophobicContact CD1-CZ2 4.17Å; L113-W199 HydrophobicContact CD1-CZ3 4.42Å; V180-W199 HydrophobicContact CB-CH2 4.37Å; V180-W199 HydrophobicContact CG1-CH2 4.48Å; K182-W199 HydrophobicContact CG-CD2 4.5Å; K182-W199 HydrophobicContact CG-CG 4.38Å; K182-W199 PolarHBondContact O-NE1 3.5Å; F186-W199 AromaticContact CE2-CZ2 3.82Å; F186-W199 HydrophobicContact CE2-CZ2 3.82Å; F186-W199 AromaticContact CZ-CZ2 3.96Å; F186-W199 HydrophobicContact CZ-CZ2 3.96Å
200F95.3Very high88Confident9 Ų962.3 Ų62.34%0.03928%0.282CS..EExtended strand (participates in β ladder)trans-118.2124.8178.6-69.3-89.9000111.7N111 V112 L114 W124 E198 I202 L205 L218 L220 F225N111-F200 CarbonylContact C-O 3.1Å; N111-F200 VanDerWaalsContact CA-O 3.32Å; N111-F200 WeakPolarHBondContact CA-O 3.43Å; V112-F200 HydrophobicContact CG2-CB 4.46Å; V112-F200 WeakPolarHBondContact CG2-O 3.08Å; V112-F200 PolarHBondContact N-O 2.87Å; V112-F200 PolarHBondContact O-N 3.32Å; L114-F200 HydrophobicContact CB-CD2 3.74Å; L114-F200 HydrophobicContact CB-CE2 3.94Å; L114-F200 HydrophobicContact CD1-CB 4.2Å; L114-F200 HydrophobicContact CD1-CD2 3.61Å; L114-F200 HydrophobicContact CD1-CE2 4.19Å; L114-F200 HydrophobicContact CD1-CG 3.96Å; L114-F200 HydrophobicContact CG-CD2 3.79Å; L114-F200 HydrophobicContact CG-CE2 4.43Å; L114-F200 HydrophobicContact CG-CG 4.48Å; W124-F200 AromaticContact CD2-CE2 3.82Å; W124-F200 HydrophobicContact CD2-CE2 3.82Å; W124-F200 AromaticContact CD2-CZ 3.78Å; W124-F200 HydrophobicContact CD2-CZ 3.78Å; W124-F200 AromaticContact CE2-CZ 3.58Å; W124-F200 AromaticContact CE3-CE2 3.67Å; W124-F200 HydrophobicContact CE3-CE2 3.67Å; W124-F200 HydrophobicContact CE3-CZ 4.09Å; W124-F200 HydrophobicContact CG-CE2 4.49Å; W124-F200 HydrophobicContact CG-CZ 4.32Å; W124-F200 HydrophobicContact CH2-CE2 4.02Å; W124-F200 HydrophobicContact CH2-CZ 4.04Å; W124-F200 HydrophobicContact CZ2-CE2 4.16Å; W124-F200 AromaticContact CZ2-CZ 3.72Å; W124-F200 HydrophobicContact CZ2-CZ 3.72Å; W124-F200 AromaticContact CZ3-CE2 3.8Å; W124-F200 HydrophobicContact CZ3-CE2 3.8Å; W124-F200 HydrophobicContact CZ3-CZ 4.22Å; E198-F200 HydrophobicContact CB-CD2 4.33Å; E198-F200 HydrophobicContact CB-CE2 3.58Å; E198-F200 HydrophobicContact CB-CZ 3.99Å; E198-F200 WeakPolarHBondContact O-CD2 3.46Å; F200-I202 PolarHBondContact O-N 3.01Å; F200-L205 HydrophobicContact CB-CD1 4.15Å; F200-L205 HydrophobicContact CB-CD2 3.93Å; F200-L205 HydrophobicContact CB-CG 4.18Å; F200-L205 HydrophobicContact CD1-CD2 4.38Å; F200-L205 HydrophobicContact CG-CD2 4.29Å; F200-L218 HydrophobicContact CD1-CD1 3.99Å; F200-L218 HydrophobicContact CE1-CD1 4.46Å; F200-L220 HydrophobicContact CE1-CD1 4.01Å; F200-F225 AromaticContact CD1-CE1 3.97Å; F200-F225 HydrophobicContact CD1-CE1 3.97Å; F200-F225 HydrophobicContact CD1-CZ 4.06Å; F200-F225 AromaticContact CE1-CE1 3.92Å; F200-F225 HydrophobicContact CE1-CE1 3.92Å; F200-F225 AromaticContact CE1-CZ 3.86Å; F200-F225 HydrophobicContact CE1-CZ 3.86Å; F200-F225 HydrophobicContact CG-CE1 4.42Å; F200-F225 HydrophobicContact CZ-CE1 4.32Å
201S94.6Very high88Confident19 Ų1962.4 Ų62.413%0.13328%0.282CS..EExtended strand (participates in β ladder)trans-62.3127.8173.5168.60000111.2E110 N111 E203 K204 L205E110-S201 CarbonylContact O-C 3.51Å; E110-S201 WeakPolarHBondContact O-CA 3.49Å; N111-S201 VanDerWaalsContact OD1-CA 3.25Å; N111-S201 WeakPolarHBondContact OD1-CA 3.36Å; N111-S201 WeakPolarHBondContact OD1-CB 3.49Å; N111-S201 PolarHBondContact OD1-N 3.24Å; S201-E203 VanDerWaalsContact C-N 3.28Å; S201-E203 PolarHBondContact O-N 3.12Å; S201-K204 WeakPolarHBondContact O-CA 3.18Å; S201-K204 WeakPolarHBondContact O-CB 3.39Å; S201-K204 PolarHBondContact O-N 3.06Å; S201-L205 PolarHBondContact O-N 3.3Å
202I93.7Very high87.7Confident9 Ų963 Ų635%0.04629%0.29CS..G310 helixtrans-63.7-33.3-170.5-63.5167.7000111.3L105 L109 E110 V112 F200 K204 L205 L235 R236 L239L105-I202 HydrophobicContact CD2-CD1 3.5Å; L109-I202 VanDerWaalsContact O-CD1 3.3Å; L109-I202 WeakPolarHBondContact O-CD1 3.4Å; E110-I202 WeakPolarHBondContact O-CG1 3.43Å; E110-I202 PolarHBondContact O-N 3.31Å; V112-I202 HydrophobicContact CG1-CD1 3.95Å; V112-I202 HydrophobicContact CG1-CG1 3.88Å; V112-I202 HydrophobicContact CG2-CG1 4.21Å; F200-I202 PolarHBondContact O-N 3.01Å; I202-K204 PolarHBondContact O-N 2.8Å; I202-L205 PolarHBondContact O-N 2.97Å; I202-L235 HydrophobicContact CD1-CD2 4.2Å; I202-L235 HydrophobicContact CG1-CD2 4.48Å; I202-R236 HydrophobicContact CG2-CG 3.89Å; I202-R236 PolarHBondContact O-NH2 2.97Å; I202-L239 HydrophobicContact CD1-CD1 3.75Å
203E90.4Very high87.5Confident135 Ų13560.7 Ų60.763%0.63129%0.286SS*.G310 helixtrans-67.9-15.4173.1-60.6-162.5154.800115S201 K217S201-E203 VanDerWaalsContact C-N 3.28Å; S201-E203 PolarHBondContact O-N 3.12Å; E203-K217 PolarHBondContact O-NZ 2.64Å; E203-K217 IonicContact OE2-NZ 3.78Å
204K89.5Confident86.8Confident79 Ų7960.1 Ų60.134%0.34328%0.284SS..G310 helixtrans-99-14.6-177.8-51.1-171.2-178177.80112.1S201 I202 P214 K217 L218S201-K204 WeakPolarHBondContact O-CA 3.18Å; S201-K204 WeakPolarHBondContact O-CB 3.39Å; S201-K204 PolarHBondContact O-N 3.06Å; I202-K204 PolarHBondContact O-N 2.8Å; K204-P214 WeakPolarHBondContact O-CA 3.18Å; K204-K217 HydrophobicContact CB-CB 4.06Å; K204-K217 HydrophobicContact CB-CD 4.21Å; K204-K217 HydrophobicContact CD-CB 4.12Å; K204-K217 HydrophobicContact CG-CB 4.01Å; K204-K217 HydrophobicContact CG-CD 3.77Å; K204-L218 HydrophobicContact CB-CD1 3.94Å; K204-L218 HydrophobicContact CB-CD2 3.95Å; K204-L218 HydrophobicContact CB-CG 3.85Å; K204-L218 HydrophobicContact CD-CD2 3.75Å; K204-L218 HydrophobicContact CD-CG 4.42Å; K204-L218 HydrophobicContact CG-CD2 4.48Å
205L90.4Very high85.9Confident1 Ų165.3 Ų65.31%0.00531%0.305CS..SBendtrans-78.4142175.8-66.7175.2000111.4V112 L114 F200 S201 I202 F225 I232 R236V112-L205 HydrophobicContact CG2-CD1 3.42Å; V112-L205 VanDerWaalsContact CG2-CD1 3.42Å; L114-L205 HydrophobicContact CD1-CD1 4.26Å; L114-L205 HydrophobicContact CD1-CD2 3.98Å; F200-L205 HydrophobicContact CB-CD1 4.15Å; F200-L205 HydrophobicContact CB-CD2 3.93Å; F200-L205 HydrophobicContact CB-CG 4.18Å; F200-L205 HydrophobicContact CD1-CD2 4.38Å; F200-L205 HydrophobicContact CG-CD2 4.29Å; S201-L205 PolarHBondContact O-N 3.3Å; I202-L205 PolarHBondContact O-N 2.97Å; L205-F225 HydrophobicContact CD2-CD1 3.53Å; L205-F225 HydrophobicContact CD2-CE1 3.48Å; L205-F225 VanDerWaalsContact CD2-CE1 3.48Å; L205-F225 HydrophobicContact CD2-CG 4.12Å; L205-F225 HydrophobicContact CD2-CZ 4.03Å; L205-I232 HydrophobicContact CB-CD1 4.05Å; L205-I232 HydrophobicContact CB-CG1 4.26Å; L205-I232 HydrophobicContact CB-CG2 4.28Å; L205-I232 HydrophobicContact CD1-CD1 3.73Å; L205-R236 PolarHBondContact O-NH2 3.32Å
206P88.2Confident85Confident1 Ų163.8 Ų63.81%0.00632%0.316CS..  trans-72.4139.5-178.627.6-32.2000112.3D211 P214 P222 F225 I229P206-D211 VanDerWaalsContact CA-OD2 3.29Å; P206-D211 WeakPolarHBondContact CA-OD2 3.49Å; P206-D211 HydrophobicContact CB-CB 3.77Å; P206-P214 HydrophobicContact CB-CG 3.94Å; P206-P214 HydrophobicContact CG-CG 3.87Å; P206-P222 HydrophobicContact CB-CB 4.43Å; P206-F225 HydrophobicContact CG-CB 3.75Å; P206-F225 HydrophobicContact CG-CD2 4.1Å; P206-F225 HydrophobicContact CG-CG 4.22Å; P206-I229 HydrophobicContact CB-CD1 4.27Å; P206-I229 HydrophobicContact CB-CG1 4.17Å; P206-I229 HydrophobicContact CG-CD1 3.88Å; P206-I229 HydrophobicContact CG-CG1 3.68Å
207C84.4Confident84.3Confident40 Ų4065.7 Ų65.727%0.2732%0.321SS..SBendtrans-88.4-14.6173.4-81.60000114.2D211 R236C207-D211 PolarHBondContact N-OD2 3.21Å; C207-R236 PolarHBondContact SG-NH1 3.25Å
208H81.4Confident83.5Confident104 Ų10466.4 Ų66.448%0.48133%0.325SS..SBendtrans-152.9163.8175.453.779.6000111.1N210 D211H208-N210 PolarHBondContact ND1-N 3.32Å; H208-N210 PolarHBondContact O-N 3.18Å; H208-N210 VanDerWaalsContact O-N 3.08Å; H208-D211 PolarHBondContact CE1-N 2.74Å; H208-D211 PolarHBondContact ND1-N 2.68Å; H208-D211 VanDerWaalsContact ND1-N 3.12Å; H208-D211 WeakPolarHBondContact O-CB 3.4Å; H208-D211 PolarHBondContact O-N 3.43Å
209R77.6Confident82.7Confident161 Ų16165.6 Ų65.661%0.60834%0.338SS*.THydrogen-bonded Turntrans-55.3-32.1-175.8-65.2-176.8-177.9170.83.2113.9F226R209-F226 VanDerWaalsContact CZ-CE2 3.41Å; R209-F226 VanDerWaalsContact NH2-CZ 3.28Å
210N77.2Confident82Confident141 Ų14164.5 Ų64.575%0.75434%0.336SS*.THydrogen-bonded Turntrans-90.52.1-179.7-59-1.3000114H208 M212H208-N210 PolarHBondContact ND1-N 3.32Å; H208-N210 PolarHBondContact O-N 3.18Å; H208-N210 VanDerWaalsContact O-N 3.08Å; N210-M212 PolarHBondContact O-N 2.95Å
211D78.6Confident81.3Confident21 Ų2166 Ų6611%0.11235%0.35CS..  trans-76.3113-177-178.4-8.8000109.9P206 C207 H208 T213 P214 P222P206-D211 VanDerWaalsContact CA-OD2 3.29Å; P206-D211 WeakPolarHBondContact CA-OD2 3.49Å; P206-D211 HydrophobicContact CB-CB 3.77Å; C207-D211 PolarHBondContact N-OD2 3.21Å; H208-D211 PolarHBondContact CE1-N 2.74Å; H208-D211 PolarHBondContact ND1-N 2.68Å; H208-D211 VanDerWaalsContact ND1-N 3.12Å; H208-D211 WeakPolarHBondContact O-CB 3.4Å; H208-D211 PolarHBondContact O-N 3.43Å; D211-T213 VanDerWaalsContact C-N 3.31Å; D211-T213 PolarHBondContact O-N 2.98Å; D211-T213 WeakPolarHBondContact OD1-CB 3.35Å; D211-T213 PolarHBondContact OD1-N 3.25Å; D211-T213 PolarHBondContact OD1-OG1 3.4Å; D211-P214 WeakPolarHBondContact O-CD 3.37Å; D211-P222 WeakPolarHBondContact O-CB 3Å; D211-P222 WeakPolarHBondContact O-CG 3.49Å
212M76.2Confident80.4Confident110 Ų11066 Ų6654%0.54235%0.35SS..  trans-83.6-0.7-177.2-65.8-174.466.400114.1N210 K215 S216N210-M212 PolarHBondContact O-N 2.95Å; M212-K215 HydrophobicContact CE-CD 3.88Å; M212-K215 WeakPolarHBondContact O-CA 3.34Å; M212-K215 WeakPolarHBondContact O-CB 3.29Å; M212-K215 PolarHBondContact O-N 3.45Å; M212-S216 PolarHBondContact O-N 2.94Å
213T75.6Confident79.9Confident43 Ų4371 Ų7126%0.26438%0.376SS..Hα-helixtrans-45.8-49.5177.4-59.70000114.5D211 K215 S216 K217D211-T213 VanDerWaalsContact C-N 3.31Å; D211-T213 PolarHBondContact O-N 2.98Å; D211-T213 WeakPolarHBondContact OD1-CB 3.35Å; D211-T213 PolarHBondContact OD1-N 3.25Å; D211-T213 PolarHBondContact OD1-OG1 3.4Å; T213-K215 VanDerWaalsContact C-N 3.29Å; T213-K215 PolarHBondContact O-N 3.18Å; T213-S216 PolarHBondContact O-N 3.46Å; T213-K217 HydrophobicContact CG2-CD 3.75Å; T213-K217 HydrophobicContact CG2-CG 4.07Å; T213-K217 WeakPolarHBondContact O-CB 3.2Å; T213-K217 PolarHBondContact O-N 3.42Å
214P70.6Confident79.7Confident0 Ų067.6 Ų67.60%036%0.359CS..Hα-helixtrans-66-27.2177.827.9-39.3000113.5K204 P206 D211 S216 L218 G219 L220 P222 F225K204-P214 WeakPolarHBondContact O-CA 3.18Å; P206-P214 HydrophobicContact CB-CG 3.94Å; P206-P214 HydrophobicContact CG-CG 3.87Å; D211-P214 WeakPolarHBondContact O-CD 3.37Å; P214-S216 VanDerWaalsContact C-N 3.33Å; P214-L218 HydrophobicContact CB-CD1 4.09Å; P214-L218 CarbonylContact O-C 3.59Å; P214-L218 VanDerWaalsContact O-CA 3.31Å; P214-L218 WeakPolarHBondContact O-CA 3.4Å; P214-L218 VanDerWaalsContact O-CB 3.28Å; P214-L218 WeakPolarHBondContact O-CB 3.12Å; P214-L218 PolarHBondContact O-N 2.89Å; P214-G219 PolarHBondContact O-N 2.85Å; P214-L220 CarbonylContact C-O 3.42Å; P214-L220 WeakPolarHBondContact CB-O 3.28Å; P214-L220 PolarHBondContact O-N 2.89Å; P214-L220 VanDerWaalsContact O-N 3.16Å; P214-P222 HydrophobicContact CG-CB 4.12Å; P214-P222 HydrophobicContact CG-CG 4.03Å; P214-F225 HydrophobicContact CB-CD2 4.1Å; P214-F225 HydrophobicContact CB-CE2 3.76Å; P214-F225 HydrophobicContact CG-CD2 4.38Å
215K71.6Confident79.7Confident127 Ų12763.9 Ų63.955%0.55234%0.343SS*.Hα-helixtrans-67.4-39.7176.3-169.2-177.3178.4-176.70110.3M212 T213 G219 L220M212-K215 HydrophobicContact CE-CD 3.88Å; M212-K215 WeakPolarHBondContact O-CA 3.34Å; M212-K215 WeakPolarHBondContact O-CB 3.29Å; M212-K215 PolarHBondContact O-N 3.45Å; T213-K215 VanDerWaalsContact C-N 3.29Å; T213-K215 PolarHBondContact O-N 3.18Å; K215-G219 WeakPolarHBondContact O-CA 3.43Å; K215-G219 PolarHBondContact O-N 3.39Å; K215-L220 VanDerWaalsContact CA-O 3.32Å; K215-L220 WeakPolarHBondContact CA-O 3.13Å; K215-L220 PolarHBondContact N-O 3.47Å; K215-L220 VanDerWaalsContact N-O 3.08Å
216S70.1Confident79.5Confident104 Ų10467.9 Ų67.973%0.72736%0.361SS*.Hα-helixtrans-81-41.1179.1-54.10000113.5M212 T213 P214M212-S216 PolarHBondContact O-N 2.94Å; T213-S216 PolarHBondContact O-N 3.46Å; P214-S216 VanDerWaalsContact C-N 3.33Å
217K78.3Confident79.3Confident102 Ų10272.3 Ų72.344%0.44338%0.383SS..Hα-helixtrans-94.4-16.7-174-63.5-166.1-172.6175.40114.9E203 K204 T213E203-K217 PolarHBondContact O-NZ 2.64Å; E203-K217 IonicContact OE2-NZ 3.78Å; K204-K217 HydrophobicContact CB-CB 4.06Å; K204-K217 HydrophobicContact CB-CD 4.21Å; K204-K217 HydrophobicContact CD-CB 4.12Å; K204-K217 HydrophobicContact CG-CB 4.01Å; K204-K217 HydrophobicContact CG-CD 3.77Å; T213-K217 HydrophobicContact CG2-CD 3.75Å; T213-K217 HydrophobicContact CG2-CG 4.07Å; T213-K217 WeakPolarHBondContact O-CB 3.2Å; T213-K217 PolarHBondContact O-N 3.42Å
218L78.3Confident79.7Confident52 Ų5270.4 Ų70.427%0.27237%0.37SS..Hα-helixtrans-131.5-8.7-177.9-57.6170.2000114F200 K204 P214 L220 F225F200-L218 HydrophobicContact CD1-CD1 3.99Å; F200-L218 HydrophobicContact CE1-CD1 4.46Å; K204-L218 HydrophobicContact CB-CD1 3.94Å; K204-L218 HydrophobicContact CB-CD2 3.95Å; K204-L218 HydrophobicContact CB-CG 3.85Å; K204-L218 HydrophobicContact CD-CD2 3.75Å; K204-L218 HydrophobicContact CD-CG 4.42Å; K204-L218 HydrophobicContact CG-CD2 4.48Å; P214-L218 HydrophobicContact CB-CD1 4.09Å; P214-L218 CarbonylContact O-C 3.59Å; P214-L218 VanDerWaalsContact O-CA 3.31Å; P214-L218 WeakPolarHBondContact O-CA 3.4Å; P214-L218 VanDerWaalsContact O-CB 3.28Å; P214-L218 WeakPolarHBondContact O-CB 3.12Å; P214-L218 PolarHBondContact O-N 2.89Å; L218-L220 HydrophobicContact CB-CB 4.28Å; L218-L220 HydrophobicContact CB-CD1 4.27Å; L218-L220 HydrophobicContact CB-CG 4.28Å; L218-L220 PolarHBondContact O-N 2.64Å; L218-F225 HydrophobicContact CD1-CE2 4.23Å; L218-F225 HydrophobicContact CD1-CZ 3.92Å
219G78.9Confident80.2Confident64 Ų6466.2 Ų66.266%0.6635%0.351SS*.SBendtrans68.910.5-171.400000114.4P214 K215P214-G219 PolarHBondContact O-N 2.85Å; K215-G219 WeakPolarHBondContact O-CA 3.43Å; K215-G219 PolarHBondContact O-N 3.39Å
220L80.2Confident80.9Confident33 Ų3360.7 Ų60.717%0.17334%0.336CS..  trans-109.1132.1-173.7-66.6174.3000110.7F200 P214 K215 L218 K224 F225F200-L220 HydrophobicContact CE1-CD1 4.01Å; P214-L220 CarbonylContact C-O 3.42Å; P214-L220 WeakPolarHBondContact CB-O 3.28Å; P214-L220 PolarHBondContact O-N 2.89Å; P214-L220 VanDerWaalsContact O-N 3.16Å; K215-L220 VanDerWaalsContact CA-O 3.32Å; K215-L220 WeakPolarHBondContact CA-O 3.13Å; K215-L220 PolarHBondContact N-O 3.47Å; K215-L220 VanDerWaalsContact N-O 3.08Å; L218-L220 HydrophobicContact CB-CB 4.28Å; L218-L220 HydrophobicContact CB-CD1 4.27Å; L218-L220 HydrophobicContact CB-CG 4.28Å; L218-L220 PolarHBondContact O-N 2.64Å; L220-K224 HydrophobicContact CB-CD 4.24Å; L220-K224 HydrophobicContact CD2-CD 3.78Å; L220-F225 HydrophobicContact CB-CE2 3.82Å; L220-F225 HydrophobicContact CB-CZ 4.25Å; L220-F225 HydrophobicContact CD1-CE2 4.15Å; L220-F225 HydrophobicContact CD1-CZ 3.7Å
221A80.9Confident81.8Confident39 Ų3954.1 Ų54.132%0.32230%0.301SS..  trans-67.2143.8178.600000111.3N223 K224A221-N223 VanDerWaalsContact C-N 3.26Å; A221-N223 WeakPolarHBondContact CB-OD1 3.42Å; A221-N223 PolarHBondContact O-N 3.31Å; A221-K224 VanDerWaalsContact O-CB 3.27Å; A221-K224 WeakPolarHBondContact O-CB 3.47Å; A221-K224 WeakPolarHBondContact O-CG 3.47Å; A221-K224 PolarHBondContact O-N 3.49Å
222P76.9Confident82.6Confident20 Ų2053.2 Ų53.213%0.1330%0.296CS..G310 helixtrans-63.8-29.4-169.7-22.333.9000114P206 D211 P214 K224 F225P206-P222 HydrophobicContact CB-CB 4.43Å; D211-P222 WeakPolarHBondContact O-CB 3Å; D211-P222 WeakPolarHBondContact O-CG 3.49Å; P214-P222 HydrophobicContact CG-CB 4.12Å; P214-P222 HydrophobicContact CG-CG 4.03Å; P222-K224 PolarHBondContact O-N 2.9Å; P222-F225 PolarHBondContact O-N 3.33Å
223N82.7Confident83.4Confident113 Ų11356.1 Ų56.160%0.60430%0.3SS*.G310 helixtrans-59.7-22.9174.667.6-37.1000113.3A221 F225 F226A221-N223 VanDerWaalsContact C-N 3.26Å; A221-N223 WeakPolarHBondContact CB-OD1 3.42Å; A221-N223 PolarHBondContact O-N 3.31Å; N223-F225 PolarHBondContact O-N 3.42Å; N223-F226 WeakPolarHBondContact O-CB 3.43Å; N223-F226 PolarHBondContact O-N 3.24Å
224K86.8Confident84.4Confident64 Ų6455.9 Ų55.928%0.27830%0.3SS..G310 helixtrans-63.4-22.4172.6-65.4-165.9173.1-173.20113.1S122 G123 W124 L220 A221 P222S122-K224 WeakPolarHBondContact O-CA 3.26Å; S122-K224 WeakPolarHBondContact O-CB 3.5Å; S122-K224 VanDerWaalsContact O-CG 3.23Å; S122-K224 WeakPolarHBondContact O-CG 3.19Å; G123-K224 CarbonylContact C-O 3.58Å; G123-K224 WeakPolarHBondContact CA-O 3.32Å; W124-K224 PolarHBondContact N-O 3.48Å; L220-K224 HydrophobicContact CB-CD 4.24Å; L220-K224 HydrophobicContact CD2-CD 3.78Å; A221-K224 VanDerWaalsContact O-CB 3.27Å; A221-K224 WeakPolarHBondContact O-CB 3.47Å; A221-K224 WeakPolarHBondContact O-CG 3.47Å; A221-K224 PolarHBondContact O-N 3.49Å; P222-K224 PolarHBondContact O-N 2.9Å
225F88.9Confident85.6Confident1 Ų155.9 Ų55.90%0.00430%0.3CS..G310 helixtrans-105.718.4-179.3-59.7-77.6000112.9L114 W124 F200 L205 P206 P214 L218 L220 P222 N223 M227 A228 I229L114-F225 HydrophobicContact CD1-CD1 3.93Å; L114-F225 HydrophobicContact CD1-CE1 3.96Å; W124-F225 HydrophobicContact CB-CD1 3.8Å; W124-F225 HydrophobicContact CB-CE1 3.89Å; W124-F225 AromaticContact CD1-CE1 3.98Å; W124-F225 HydrophobicContact CG-CD1 4.4Å; W124-F225 HydrophobicContact CG-CE1 4.04Å; F200-F225 AromaticContact CD1-CE1 3.97Å; F200-F225 HydrophobicContact CD1-CE1 3.97Å; F200-F225 HydrophobicContact CD1-CZ 4.06Å; F200-F225 AromaticContact CE1-CE1 3.92Å; F200-F225 HydrophobicContact CE1-CE1 3.92Å; F200-F225 AromaticContact CE1-CZ 3.86Å; F200-F225 HydrophobicContact CE1-CZ 3.86Å; F200-F225 HydrophobicContact CG-CE1 4.42Å; F200-F225 HydrophobicContact CZ-CE1 4.32Å; L205-F225 HydrophobicContact CD2-CD1 3.53Å; L205-F225 HydrophobicContact CD2-CE1 3.48Å; L205-F225 VanDerWaalsContact CD2-CE1 3.48Å; L205-F225 HydrophobicContact CD2-CG 4.12Å; L205-F225 HydrophobicContact CD2-CZ 4.03Å; P206-F225 HydrophobicContact CG-CB 3.75Å; P206-F225 HydrophobicContact CG-CD2 4.1Å; P206-F225 HydrophobicContact CG-CG 4.22Å; P214-F225 HydrophobicContact CB-CD2 4.1Å; P214-F225 HydrophobicContact CB-CE2 3.76Å; P214-F225 HydrophobicContact CG-CD2 4.38Å; L218-F225 HydrophobicContact CD1-CE2 4.23Å; L218-F225 HydrophobicContact CD1-CZ 3.92Å; L220-F225 HydrophobicContact CB-CE2 3.82Å; L220-F225 HydrophobicContact CB-CZ 4.25Å; L220-F225 HydrophobicContact CD1-CE2 4.15Å; L220-F225 HydrophobicContact CD1-CZ 3.7Å; P222-F225 PolarHBondContact O-N 3.33Å; N223-F225 PolarHBondContact O-N 3.42Å; F225-M227 PolarHBondContact O-N 3.13Å; F225-M227 VanDerWaalsContact O-N 3.13Å; F225-A228 PolarHBondContact O-N 2.95Å; F225-I229 HydrophobicContact CB-CG1 4.47Å; F225-I229 WeakPolarHBondContact O-CG1 3.17Å; F225-I229 PolarHBondContact O-N 3.08Å
226F85.3Confident86.7Confident86 Ų8653.5 Ų53.538%0.37729%0.287SS..THydrogen-bonded Turntrans-49.5-41.8-174.5-176.3-83.2000113.8R209 N223 P230R209-F226 VanDerWaalsContact CZ-CE2 3.41Å; R209-F226 VanDerWaalsContact NH2-CZ 3.28Å; N223-F226 WeakPolarHBondContact O-CB 3.43Å; N223-F226 PolarHBondContact O-N 3.24Å; F226-P230 WeakPolarHBondContact O-CD 3.46Å
227M85.1Confident87.8Confident93 Ų9352 Ų5246%0.45827%0.271SS..THydrogen-bonded Turntrans-79-17.2-179.7-60.2-58.1-75.600113.9F225F225-M227 PolarHBondContact O-N 3.13Å; F225-M227 VanDerWaalsContact O-N 3.13Å
228A92Very high88.6Confident0 Ų048.2 Ų48.20%025%0.254CS..THydrogen-bonded Turntrans-91.9-37.1177.300000112.4L114 F126 F225 P230 F231 I232L114-A228 HydrophobicContact CD2-CB 4.41Å; F126-A228 HydrophobicContact CD2-CB 4.23Å; F126-A228 HydrophobicContact CE2-CB 3.8Å; F126-A228 HydrophobicContact CZ-CB 4.49Å; F225-A228 PolarHBondContact O-N 2.95Å; A228-P230 VanDerWaalsContact C-N 3.35Å; A228-P230 VanDerWaalsContact O-N 3.12Å; A228-F231 PolarHBondContact O-N 3.48Å; A228-I232 HydrophobicContact CB-CD1 4.26Å; A228-I232 WeakPolarHBondContact O-CG1 3.21Å; A228-I232 PolarHBondContact O-N 3.31Å
229I92.2Very high89.4Confident17 Ų1747 Ų479%0.08725%0.248CC..Hα-helixtrans-40.6-49.4-176.2-79.7166.5000114.3P206 F225 F231 I232P206-I229 HydrophobicContact CB-CD1 4.27Å; P206-I229 HydrophobicContact CB-CG1 4.17Å; P206-I229 HydrophobicContact CG-CD1 3.88Å; P206-I229 HydrophobicContact CG-CG1 3.68Å; F225-I229 HydrophobicContact CB-CG1 4.47Å; F225-I229 WeakPolarHBondContact O-CG1 3.17Å; F225-I229 PolarHBondContact O-N 3.08Å; I229-F231 PolarHBondContact O-N 2.87Å; I229-F231 VanDerWaalsContact O-N 3.15Å; I229-I232 PolarHBondContact O-N 2.91Å
230P92.9Very high90.1Very high45 Ų4547.5 Ų47.529%0.29224%0.241SC..Hα-helixtrans-58.6-30.3-176.4-26.837.1000114.3L165 I167 F226 A228 P234L165-P230 HydrophobicContact CD1-CB 3.72Å; L165-P230 WeakPolarHBondContact CD1-O 3.36Å; I167-P230 HydrophobicContact CD1-CB 3.87Å; I167-P230 HydrophobicContact CD1-CG 4.01Å; F226-P230 WeakPolarHBondContact O-CD 3.46Å; A228-P230 VanDerWaalsContact C-N 3.35Å; A228-P230 VanDerWaalsContact O-N 3.12Å; P230-P234 WeakPolarHBondContact O-CD 3.41Å
231F95.9Very high90.6Very high3 Ų354.6 Ų54.61%0.01327%0.266CS..Hα-helixtrans-91.6-17.5-177-56.2-88.4000113.2I103 F126 I163 L165 I167 A172 L174 A228 I229 R233 P234 L235I103-F231 HydrophobicContact CD1-CB 4.28Å; F126-F231 HydrophobicContact CD2-CB 4.4Å; F126-F231 HydrophobicContact CD2-CD2 4.21Å; F126-F231 HydrophobicContact CD2-CG 4.49Å; F126-F231 HydrophobicContact CE2-CB 3.86Å; F126-F231 HydrophobicContact CE2-CD2 4.36Å; F126-F231 HydrophobicContact CE2-CG 4.41Å; I163-F231 HydrophobicContact CB-CD1 4.2Å; I163-F231 HydrophobicContact CG2-CD1 3.89Å; L165-F231 HydrophobicContact CB-CE1 4.35Å; L165-F231 HydrophobicContact CD1-CD1 3.73Å; L165-F231 HydrophobicContact CD1-CE1 3.72Å; L165-F231 HydrophobicContact CD1-CG 4.15Å; L165-F231 HydrophobicContact CD1-CZ 4.12Å; L165-F231 HydrophobicContact CG-CD1 4.36Å; L165-F231 HydrophobicContact CG-CE1 4.07Å; I167-F231 HydrophobicContact CD1-CE2 3.85Å; I167-F231 HydrophobicContact CD1-CZ 3.86Å; A172-F231 HydrophobicContact CB-CZ 3.93Å; L174-F231 HydrophobicContact CD1-CD1 3.68Å; L174-F231 HydrophobicContact CD1-CD2 3.9Å; L174-F231 HydrophobicContact CD1-CE1 3.74Å; L174-F231 HydrophobicContact CD1-CE2 3.96Å; L174-F231 HydrophobicContact CD1-CG 3.77Å; L174-F231 HydrophobicContact CD1-CZ 3.89Å; L174-F231 HydrophobicContact CG-CD1 4.19Å; L174-F231 HydrophobicContact CG-CE1 3.87Å; L174-F231 HydrophobicContact CG-CZ 4.13Å; A228-F231 PolarHBondContact O-N 3.48Å; I229-F231 PolarHBondContact O-N 2.87Å; I229-F231 VanDerWaalsContact O-N 3.15Å; F231-R233 PolarHBondContact O-N 2.89Å; F231-P234 WeakPolarHBondContact O-CD 3.45Å; F231-L235 WeakPolarHBondContact O-CB 3.49Å; F231-L235 PolarHBondContact O-N 3.37Å
232I94.9Very high90.8Very high1 Ų159.6 Ų59.61%0.00528%0.276CS..Hα-helixtrans-62.7-41.5-173.2-56-52.2000112.2F126 L205 A228 I229 R236F126-I232 HydrophobicContact CE2-CD1 4.18Å; F126-I232 HydrophobicContact CZ-CD1 3.93Å; L205-I232 HydrophobicContact CB-CD1 4.05Å; L205-I232 HydrophobicContact CB-CG1 4.26Å; L205-I232 HydrophobicContact CB-CG2 4.28Å; L205-I232 HydrophobicContact CD1-CD1 3.73Å; A228-I232 HydrophobicContact CB-CD1 4.26Å; A228-I232 WeakPolarHBondContact O-CG1 3.21Å; A228-I232 PolarHBondContact O-N 3.31Å; I229-I232 PolarHBondContact O-N 2.91Å; I232-R236 WeakPolarHBondContact O-CG 3.45Å; I232-R236 PolarHBondContact O-N 3.35Å; I232-R236 VanDerWaalsContact O-N 3.14Å
233R93.3Very high91.1Very high171 Ų17163.9 Ų63.965%0.64529%0.293SS*.Hα-helixtrans-69.4-55.5176.7170.6176.5178.6-175.43.2111.8F231 L235 R236 D237F231-R233 PolarHBondContact O-N 2.89Å; R233-L235 PolarHBondContact O-N 3.17Å; R233-L235 VanDerWaalsContact O-N 3.12Å; R233-R236 PolarHBondContact O-N 3.44Å; R233-D237 WeakPolarHBondContact CG-OD2 3.45Å; R233-D237 IonicContact NE-OD2 3.57Å; R233-D237 VanDerWaalsContact O-CG 3.26Å; R233-D237 PolarHBondContact O-N 2.84Å
234P95.5Very high90.4Very high39 Ų3960.8 Ų60.825%0.25329%0.288SS..Hα-helixtrans-52.1-33.3174.2-31.137.3000114.7I163 P230 F231 D237 W238I163-P234 HydrophobicContact CD1-CB 3.96Å; I163-P234 HydrophobicContact CG2-CB 3.65Å; I163-P234 HydrophobicContact CG2-CG 4.35Å; P230-P234 WeakPolarHBondContact O-CD 3.41Å; F231-P234 WeakPolarHBondContact O-CD 3.45Å; P234-D237 PolarHBondContact O-N 2.88Å; P234-W238 PolarHBondContact O-N 2.97Å
235L96.1Very high89Confident0 Ų065.2 Ų65.20%031%0.314CS..Hα-helixtrans-67.6-47.4174.7177.160.3000112.4I103 L105 V112 I163 I202 F231 R233 D237 W238 L239I103-L235 HydrophobicContact CD1-CB 4.47Å; I103-L235 HydrophobicContact CD1-CD1 4.31Å; I103-L235 HydrophobicContact CD1-CD2 4.49Å; I103-L235 HydrophobicContact CG2-CD1 3.84Å; I103-L235 HydrophobicContact CG2-CD2 3.71Å; I103-L235 HydrophobicContact CG2-CG 4.4Å; L105-L235 HydrophobicContact CD1-CD1 4.5Å; L105-L235 HydrophobicContact CD2-CD1 4.4Å; L105-L235 HydrophobicContact CD2-CD2 4.44Å; V112-L235 HydrophobicContact CG1-CD2 3.65Å; I163-L235 HydrophobicContact CD1-CB 4.05Å; I202-L235 HydrophobicContact CD1-CD2 4.2Å; I202-L235 HydrophobicContact CG1-CD2 4.48Å; F231-L235 WeakPolarHBondContact O-CB 3.49Å; F231-L235 PolarHBondContact O-N 3.37Å; R233-L235 PolarHBondContact O-N 3.17Å; R233-L235 VanDerWaalsContact O-N 3.12Å; L235-D237 VanDerWaalsContact C-N 3.27Å; L235-D237 PolarHBondContact O-N 3.16Å; L235-W238 PolarHBondContact O-N 2.94Å; L235-W238 VanDerWaalsContact O-N 3.14Å; L235-L239 HydrophobicContact CD1-CD1 4.39Å; L235-L239 HydrophobicContact CD1-CG 4.43Å; L235-L239 HydrophobicContact CG-CD1 4.2Å; L235-L239 WeakPolarHBondContact O-CG 3.32Å; L235-L239 PolarHBondContact O-N 2.78Å
236R94.8Very high87.2Confident77 Ų7770.5 Ų70.529%0.29135%0.352SS..Hα-helixtrans-60.1-41.4173.5-69.5179-171175.19.9110.6I202 L205 C207 I232 R233 W238 L239 S240I202-R236 HydrophobicContact CG2-CG 3.89Å; I202-R236 PolarHBondContact O-NH2 2.97Å; L205-R236 PolarHBondContact O-NH2 3.32Å; C207-R236 PolarHBondContact SG-NH1 3.25Å; I232-R236 WeakPolarHBondContact O-CG 3.45Å; I232-R236 PolarHBondContact O-N 3.35Å; I232-R236 VanDerWaalsContact O-N 3.14Å; R233-R236 PolarHBondContact O-N 3.44Å; R236-W238 VanDerWaalsContact C-N 3.28Å; R236-W238 PolarHBondContact O-N 3.36Å; R236-L239 PolarHBondContact O-N 2.75Å; R236-S240 PolarHBondContact O-N 3.26Å; R236-S240 PolarHBondContact O-OG 3.18Å
237D94.3Very high85.4Confident73 Ų7371.5 Ų71.539%0.3937%0.369SS..Hα-helixtrans-67-23.7176.8-60.2-22.9000112.7R233 P234 L235 R241R233-D237 WeakPolarHBondContact CG-OD2 3.45Å; R233-D237 IonicContact NE-OD2 3.57Å; R233-D237 VanDerWaalsContact O-CG 3.26Å; R233-D237 PolarHBondContact O-N 2.84Å; P234-D237 PolarHBondContact O-N 2.88Å; L235-D237 VanDerWaalsContact C-N 3.27Å; L235-D237 PolarHBondContact O-N 3.16Å; D237-R241 WeakPolarHBondContact O-CG 3.38Å; D237-R241 PolarHBondContact O-NE 3.42Å
238W94.8Very high83.6Confident22 Ų2275 Ų758%0.08339%0.39CS..Hα-helixtrans-79.4-45169.3-178.797.1000111.9L105 D161 I176 P234 L235 R236 S240 R241 R242 F243L105-W238 HydrophobicContact CD1-CZ3 4.12Å; D161-W238 PolarHBondContact OD1-NE1 3.47Å; I176-W238 HydrophobicContact CB-CZ2 4.34Å; I176-W238 HydrophobicContact CD1-CB 4.12Å; I176-W238 HydrophobicContact CD1-CD2 3.52Å; I176-W238 HydrophobicContact CD1-CE3 4.15Å; I176-W238 HydrophobicContact CD1-CG 3.49Å; I176-W238 VanDerWaalsContact CD1-CG 3.49Å; I176-W238 HydrophobicContact CD1-CZ2 4.32Å; I176-W238 HydrophobicContact CG2-CD2 4.32Å; I176-W238 HydrophobicContact CG2-CE3 4.07Å; I176-W238 HydrophobicContact CG2-CH2 3.66Å; I176-W238 HydrophobicContact CG2-CZ2 3.91Å; I176-W238 HydrophobicContact CG2-CZ3 3.74Å; P234-W238 PolarHBondContact O-N 2.97Å; L235-W238 PolarHBondContact O-N 2.94Å; L235-W238 VanDerWaalsContact O-N 3.14Å; R236-W238 VanDerWaalsContact C-N 3.28Å; R236-W238 PolarHBondContact O-N 3.36Å; W238-S240 PolarHBondContact O-N 2.93Å; W238-R241 PolarHBondContact O-N 3.19Å; W238-R242 HydrophobicContact CD2-CG 3.91Å; W238-R242 HydrophobicContact CE3-CG 4.26Å; W238-R242 HydrophobicContact CG-CG 4.46Å; W238-R242 HydrophobicContact CH2-CG 4.23Å; W238-R242 HydrophobicContact CZ2-CG 3.87Å; W238-R242 HydrophobicContact CZ3-CG 4.41Å; W238-R242 WeakPolarHBondContact O-CG 3.28Å; W238-R242 PolarHBondContact O-N 3.36Å; W238-R242 VanDerWaalsContact O-N 3.08Å; W238-F243 HydrophobicContact CH2-CE2 4.16Å; W238-F243 AromaticContact CZ3-CE2 3.88Å; W238-F243 HydrophobicContact CZ3-CE2 3.88Å
239L94.4Very high81.3Confident27 Ų2780.5 Ų80.514%0.14143%0.428CS..Hα-helixtrans-58.4-49.4178.6-73.8166.4000111.4L105 L109 I202 L235 R236 R241 R242 F243L105-L239 HydrophobicContact CD1-CD2 4.24Å; L109-L239 HydrophobicContact CB-CD2 4.05Å; I202-L239 HydrophobicContact CD1-CD1 3.75Å; L235-L239 HydrophobicContact CD1-CD1 4.39Å; L235-L239 HydrophobicContact CD1-CG 4.43Å; L235-L239 HydrophobicContact CG-CD1 4.2Å; L235-L239 WeakPolarHBondContact O-CG 3.32Å; L235-L239 PolarHBondContact O-N 2.78Å; R236-L239 PolarHBondContact O-N 2.75Å; L239-R241 VanDerWaalsContact C-N 3.32Å; L239-R241 PolarHBondContact O-N 3.38Å; L239-R242 PolarHBondContact O-N 3.49Å; L239-R242 VanDerWaalsContact O-N 3.13Å; L239-F243 HydrophobicContact CD2-CD2 4.25Å; L239-F243 HydrophobicContact CD2-CE2 4.4Å; L239-F243 PolarHBondContact O-N 2.8Å
240S93.6Very high79.2Confident74 Ų7487.3 Ų87.352%0.51747%0.465SS..Hα-helixtrans-58.7-41.4178-59.70000112.4R236 W238 R242 G244R236-S240 PolarHBondContact O-N 3.26Å; R236-S240 PolarHBondContact O-OG 3.18Å; W238-S240 PolarHBondContact O-N 2.93Å; S240-R242 VanDerWaalsContact C-N 3.32Å; S240-R242 PolarHBondContact O-N 2.97Å; S240-G244 VanDerWaalsContact O-CA 3.31Å; S240-G244 WeakPolarHBondContact O-CA 3.42Å; S240-G244 PolarHBondContact O-N 3.41Å
241R91Very high76.9Confident182 Ų18293.5 Ų93.569%0.68750%0.496SS*.Hα-helixtrans-72.8-18.6178.7-73.6-177.4-64143.22.5114.6D237 W238 L239D237-R241 WeakPolarHBondContact O-CG 3.38Å; D237-R241 PolarHBondContact O-NE 3.42Å; W238-R241 PolarHBondContact O-N 3.19Å; L239-R241 VanDerWaalsContact C-N 3.32Å; L239-R241 PolarHBondContact O-N 3.38Å
242R86.3Confident74.4Confident143 Ų14396.5 Ų96.554%0.5453%0.527SS..Hα-helixtrans-98.9-26.5179.5-71-66.6-161.1-174.36.4112.9D161 W238 L239 S240D161-R242 VanDerWaalsContact CG-NH2 3.25Å; D161-R242 IonicContact OD1-CZ 3.58Å; D161-R242 IonicContact OD1-NE 3.6Å; D161-R242 IonicContact OD1-NH2 2.73Å; D161-R242 PolarHBondContact OD1-NH2 3Å; D161-R242 IonicContact OD2-NH2 3Å; D161-R242 PolarHBondContact OD2-NH2 3.23Å; W238-R242 HydrophobicContact CD2-CG 3.91Å; W238-R242 HydrophobicContact CE3-CG 4.26Å; W238-R242 HydrophobicContact CG-CG 4.46Å; W238-R242 HydrophobicContact CH2-CG 4.23Å; W238-R242 HydrophobicContact CZ2-CG 3.87Å; W238-R242 HydrophobicContact CZ3-CG 4.41Å; W238-R242 WeakPolarHBondContact O-CG 3.28Å; W238-R242 PolarHBondContact O-N 3.36Å; W238-R242 VanDerWaalsContact O-N 3.08Å; L239-R242 PolarHBondContact O-N 3.49Å; L239-R242 VanDerWaalsContact O-N 3.13Å; S240-R242 VanDerWaalsContact C-N 3.32Å; S240-R242 PolarHBondContact O-N 2.97Å
243F82.3Confident72Confident111 Ų111105.8 Ų105.849%0.48757%0.568SS.*Hα-helixtrans-137.4-7.1-169-56.1-76.8000115.4L109 W238 L239L109-F243 HydrophobicContact CD1-CD1 4.06Å; L109-F243 HydrophobicContact CD1-CD2 3.77Å; L109-F243 HydrophobicContact CD1-CE1 3.73Å; L109-F243 HydrophobicContact CD1-CE2 3.44Å; L109-F243 VanDerWaalsContact CD1-CE2 3.44Å; L109-F243 HydrophobicContact CD1-CG 4.09Å; L109-F243 HydrophobicContact CD1-CZ 3.42Å; L109-F243 VanDerWaalsContact CD1-CZ 3.42Å; W238-F243 HydrophobicContact CH2-CE2 4.16Å; W238-F243 AromaticContact CZ3-CE2 3.88Å; W238-F243 HydrophobicContact CZ3-CE2 3.88Å; L239-F243 HydrophobicContact CD2-CD2 4.25Å; L239-F243 HydrophobicContact CD2-CE2 4.4Å; L239-F243 PolarHBondContact O-N 2.8Å
244G68.7Low69.6Low48 Ų48102.4 Ų102.450%0.49557%0.57SS.*THydrogen-bonded Turntrans-72.6-32.4-171.400000115.8S240 S246S240-G244 VanDerWaalsContact O-CA 3.31Å; S240-G244 WeakPolarHBondContact O-CA 3.42Å; S240-G244 PolarHBondContact O-N 3.41Å; G244-S246 PolarHBondContact O-N 2.9Å
245D55.6Low67.2Low156 Ų156106 Ų10683%0.83460%0.596SS**THydrogen-bonded Turntrans-93.120.9-165.2-58.2-36.9000114.6
246S51.3Low64.7Low113 Ų113110.8 Ų110.879%0.7964%0.636SS**SBendtrans-90.37-173.6-168.30000115.2G244G244-S246 PolarHBondContact O-N 2.9Å
247S49.4Very low62.1Low106 Ų106110.7 Ų110.774%0.74166%0.66SS**SBendtrans-127.62.3-164.5-163.60000117.2
248D45.8Very low59.7Low167 Ų167113.3 Ų113.389%0.89368%0.684SS**  trans-131.385.3178-85.8-58.6000111.7
249S43.9Very low57.4Low116 Ų116118.6 Ų118.681%0.81172%0.718SS**  trans-150.1148.9163.944.70000110.3
250D48.1Very low54.9Low160 Ų160123.1 Ų123.186%0.85675%0.749SS**  trans53.696.2-171.8-84.6-8.8000117.5
251N44Very low52.3Low175 Ų175124.3 Ų124.394%0.93676%0.763SS**  trans-142.752.5144.2-128.5-35.6000111.4
252G45.2Very low49.9Very low66 Ų66127.6 Ų127.668%0.6878%0.776SS**  trans-94114.9175.100000112.3
253F43.9Very low47.7Very low196 Ų196126.7 Ų126.786%0.8679%0.788SS**SBendtrans63.7105161.5-106.8-114.7000119.4
254S42.5Very low45.6Very low99 Ų99127.2 Ų127.269%0.69280%0.801SS**  79.8114.7129.1-61.30000122.3
255S44.5Very low44.2Very low114 Ų114131.8 Ų131.880%0.79782%0.819SS**  trans91.799.3132.7-161.20000120.8
256A44.1Very low43.3Very low101 Ų101132.4 Ų132.484%0.83582%0.817SS**  trans47.6108.8135.900000120.6
257G40.8Very low42.5Very low76 Ų76136.4 Ų136.478%0.78482%0.82SS**  trans170.893.4160.100000117
258S42.5Very low41.9Very low128 Ų128139 Ų13990%0.89583%0.825SS**  trans54.3120.1150.5-56.30000122.2
259T47.7Very low41.2Very low132 Ų132136.7 Ų136.781%0.8182%0.822SS**  trans-62.9175.3160.945.70000115.2
260P42Very low40.7Very low122 Ų122141.8 Ų141.879%0.79282%0.823SS**  cis-138.8164-28.333.7-15.8000115.2
261A38.4Very low40.2Very low99 Ų99140.1 Ų140.182%0.81882%0.819SS**  trans-155.3147156.400000113.1
262R40.6Very low39.8Very low252 Ų252140.6 Ų140.695%0.95181%0.813SS**  trans-95.5136.9166.2-75.3-180172.7177.8-3.2110.2
263P41.4Very low39.3Very low123 Ų123145.6 Ų145.680%0.79982%0.816SS**  trans-104.4141157.433.9-26.3000112
264T36.4Very low38.7Very low122 Ų122147.5 Ų147.575%0.74882%0.817SS**  trans-75.5145.3174.4-51.80000111.1E266T264-E266 HydrophobicContact CG2-CG 4.28Å; T264-E266 PolarHBondContact O-N 2.86Å
265V40.3Very low38.1Very low144 Ų144150.2 Ų150.287%0.87382%0.819SS**  trans-80.683.5175.8-174.50000110.6
266E36.6Very low37.4Very low170 Ų170149.9 Ų149.979%0.79482%0.817SS**  trans-124.273.5169.6-74.5-166.113800111.2T264T264-E266 HydrophobicContact CG2-CG 4.28Å; T264-E266 PolarHBondContact O-N 2.86Å
267K35Very low36.9Very low196 Ų196152 Ų15285%0.85281%0.809SS**  trans-16985.5166.9-116.5164.4-171.9171.10114.2
268L36.6Very low36.7Very low162 Ų162155.7 Ų155.785%0.84881%0.806SS**  trans-147.729.1162.5-111.7156.8000113.2
269S30.9Very low36.2Very low118 Ų118157 Ų15783%0.82580%0.802SS**SBendtrans-116.436.7-174.149.90000113.6
270R33.4Very low35.7Very low223 Ų223159 Ų15984%0.84280%0.8SS**  trans-156.236.3175.6-133.4170.6-173175.72.6118.5K272R270-K272 PolarHBondContact O-N 2.87Å
271T37.1Very low35.4Very low125 Ų125159.2 Ų159.277%0.76780%0.801SS**  trans-63.8124.3156.431.90000109.1F273T271-F273 PolarHBondContact O-N 3.19Å; T271-F273 VanDerWaalsContact O-N 3.14Å
272K35.8Very low34.9Very low185 Ų185164.2 Ų164.280%0.80481%0.808SS**  trans-87.286.5-162.5-63.4172-174.5166.20112.3R270 R274R270-K272 PolarHBondContact O-N 2.87Å; K272-R274 PolarHBondContact O-N 3.4Å
273F34.3Very low34.6Very low171 Ų171156 Ų15675%0.7580%0.802SS**  trans-63.5104.7157.7-90.6-89.7000109.1T271 H275T271-F273 PolarHBondContact O-N 3.19Å; T271-F273 VanDerWaalsContact O-N 3.14Å; F273-H275 PolarHBondContact O-N 2.79Å; F273-H275 VanDerWaalsContact O-N 3.17Å
274R31.8Very low34.4Very low235 Ų235155.9 Ų155.989%0.88780%0.804SS**  trans-80.594.9179.4-113-175.1172179.5-2.9109.3K272 S276K272-R274 PolarHBondContact O-N 3.4Å; R274-S276 PolarHBondContact O-N 3.43Å; R274-S276 VanDerWaalsContact O-N 3.13Å
275H29.1Very low34.5Very low157 Ų157155.4 Ų155.473%0.72780%0.803SS**  trans-61.1110.7171.1-161.772.8000109.4F273 Q277F273-H275 PolarHBondContact O-N 2.79Å; F273-H275 VanDerWaalsContact O-N 3.17Å; H275-Q277 PolarHBondContact CD2-NE2 3.4Å; H275-Q277 VanDerWaalsContact CD2-NE2 3.33Å; H275-Q277 PolarHBondContact NE2-NE2 3.28Å
276S31.2Very low34.2Very low107 Ų107154.5 Ų154.575%0.74880%0.803SS**  trans-105.578.5-174.9-176.70000111R274 Q278R274-S276 PolarHBondContact O-N 3.43Å; R274-S276 VanDerWaalsContact O-N 3.13Å; S276-Q278 PolarHBondContact O-N 2.91Å
277Q32.3Very low34Very low144 Ų144153.4 Ų153.467%0.67380%0.802SS**  trans-73.4117.3169.1-67.21770.500109.6H275H275-Q277 PolarHBondContact CD2-NE2 3.4Å; H275-Q277 VanDerWaalsContact CD2-NE2 3.33Å; H275-Q277 PolarHBondContact NE2-NE2 3.28Å
278Q36.7Very low33.9Very low155 Ų155151.4 Ų151.472%0.72480%0.796SS**  trans-117.9121.7158.3-78.8-167.3-3500108.5S276 F280S276-Q278 PolarHBondContact O-N 2.91Å; Q278-F280 HydrophobicContact CB-CE2 4.27Å
279L32.4Very low33.6Very low155 Ų155154.4 Ų154.481%0.81280%0.796SS**  trans-82.5138.4170-67.685000108.9
280F37.3Very low33.5Very low175 Ų175154 Ų15477%0.76879%0.788SS**  trans-129.4128.9159-74.9-81.1000108.2Q278Q278-F280 HydrophobicContact CB-CE2 4.27Å
281P35.1Very low33.5Very low126 Ų126152 Ų15282%0.81879%0.786SS**  trans-80.7171.3178.533.7-35.2000112.5
282E29.7Very low33.3Very low203 Ų203153.5 Ų153.595%0.94978%0.784SS**  trans-68.2151.3-169.1-62.1173.487.900115.8
283G34.2Very low33.1Very low80 Ų80153.7 Ų153.783%0.82578%0.779SS**  trans-168.2119.7165.500000109.9
284S36.5Very low33Very low121 Ų121152.7 Ų152.785%0.84678%0.777SS**  trans-119.9-179-165.7-139.50000112
285P38.5Very low33.2Very low112 Ų112147.1 Ų147.173%0.72777%0.771SS**  -124.5175.1-108.236.7-18.5000115.1
286S33Very low33.4Very low125 Ų125146.5 Ų146.587%0.87477%0.773SS**  trans-159.9142.5165.1-72.20000112.3
287D33Very low33.7Very low146 Ų146148.4 Ų148.478%0.78177%0.77SS**  trans-80.1153.3176.5-60.6-90.7000114.3
288Q34.1Very low33.7Very low155 Ų155147.6 Ų147.672%0.72477%0.766SS**  175.9134113.4-95.5154.4101.100115.3
289W29.5Very low33.5Very low225 Ų225146.8 Ų146.885%0.85276%0.76SS**  trans54.7161.6138.5-64.8-5.6000122.8
290V29.2Very low33.6Very low108 Ų108146.7 Ų146.766%0.65576%0.755SS**  cis-176.8133.3-46.5126.90000109.8
291K32.3Very low33.2Very low183 Ų183142.3 Ų142.380%0.79675%0.746SS**  trans53125.9161.5-63.6164.7-170.3168.40122.1
292H33.8Very low32.8Very low155 Ų155142.2 Ų142.272%0.71874%0.739SS**  -171.4131.1111.8-112-131.9000110.3
293R30.2Very low33.1Very low189 Ų189140.4 Ų140.471%0.71373%0.73SS**  60.9142.392.6-68.7-160174.4-1667.9115.5
294Q32.4Very low32.9Very low151 Ų151142.2 Ų142.271%0.70673%0.725SS**  cis-160.3170.2-4.2-117.1177.3-37.200110.6
295P36.9Very low32.5Very low118 Ų118144.1 Ų144.177%0.76672%0.721SS**  trans-107179.1-173.741.6-34.7000115.1
296L33.1Very low32.2Very low144 Ų144145 Ų14575%0.75472%0.724SS**  trans-147.9123.5174.7-138.669.4000113
297Q36.9Very low32Very low146 Ų146144 Ų14468%0.68272%0.717SS**  48.2151128.9-59.1179.516.200121.2
298Q33.7Very low31.9Very low127 Ų127143.8 Ų143.859%0.59372%0.716SS**  cis-168.6-171.2-3.8-109.9171.624.100107
299K32Very low31.7Very low139 Ų139142.4 Ų142.460%0.60471%0.713SS**  cis-168.7163.88.7-132.6164176.9142.50111.4
300H35Very low31.6Very low153 Ų153138.2 Ų138.271%0.70872%0.716SS**  trans60.2150.6150.2-68.2-46.4000122.1
301S27.6Very low31.6Very low82 Ų82141.4 Ų141.457%0.57372%0.721SS**  cis-172.1140.4-28.7-111.50000113.2
302N28.2Very low31.5Very low125 Ų125137.5 Ų137.567%0.66872%0.723SS**  trans51.7133.1145.1-44.217.1000122.7
303H34.7Very low31.3Very low164 Ų164138.8 Ų138.876%0.75973%0.726SS**  155.7124.698.6-106.7-61.7000117.1
304T30.5Very low31.4Very low118 Ų118137.1 Ų137.172%0.72473%0.732SS**  trans82.7140.2139.3-47.80000121.9
305E27.5Very low31.3Very low162 Ų162138 Ų13876%0.75774%0.736SS**  trans-86.5164.4179.3-50.2131.5110.400113.5
306V33.3Very low31Very low131 Ų131139 Ų13979%0.79474%0.735SS**  172.7140.6102.8-77.80000114.4
307S28.8Very low31.1Very low104 Ų104140.5 Ų140.573%0.72774%0.74SS**  trans58.2142.5138.4-63.50000126.8
308D31.5Very low30.6Very low141 Ų141145.5 Ų145.575%0.75475%0.752SS**  trans83.397.1138.2-74.3-41.9000124.3
309L27.9Very low30.6Very low126 Ų126143 Ų14366%0.6676%0.761SS**  59.1114.4105.7-167.478.2000120.5K311L309-K311 HydrophobicContact CD1-CG 4.42Å
310C29.2Very low30.4Very low136 Ų136145.1 Ų145.192%0.91978%0.779SS**  trans-145.9154143.7-104.40000112.5
311K28.5Very low30.4Very low175 Ų175141.9 Ų141.976%0.76179%0.786SS**  trans-127.4146.3-168.7-73.2177.2175.1170.70113.6L309L309-K311 HydrophobicContact CD1-CG 4.42Å
312A29Very low30.5Very low101 Ų101148.6 Ų148.684%0.83580%0.799SS**  trans64157.5155.600000115.8
313K30.7Very low30.8Very low183 Ų183152.5 Ų152.580%0.79681%0.81SS**  cis179.613747.9-179.1-179.4-175178.60109.2
314N32.5Very low30.7Very low154 Ų154152 Ų15282%0.82481%0.808SS**  trans-179.2148.5131.9-92.2-25.7000112.8
315Q29.8Very low30.8Very low170 Ų170156.4 Ų156.479%0.79481%0.813SS**  trans-129175.8175.3-73.3179.9-25.400109.1
316N30.4Very low31.2Very low138 Ų138155.9 Ų155.974%0.73881%0.811SS**  trans81.8143.5173.7-50.8-41.4000114.6
317M34.6Very low31Very low175 Ų175156.5 Ų156.586%0.86281%0.81SS**  cis-131.8166.920.4-84-67.917600114.4
318R27.6Very low31.2Very low251 Ų251157.4 Ų157.495%0.94782%0.816SS**  trans-82.9151.7164.8-69.9-177.7172.9-164.2-1.6111.4
319G33.9Very low31.4Very low75 Ų75156.6 Ų156.677%0.77382%0.818SS**  trans-154.3117.716600000111.9
320N27.7Very low31.7Very low184 Ų184158.3 Ų158.398%0.98483%0.828SS**  trans-85.9139.5177.3-93.8-8.2000111.4
321G34.1Very low31.9Very low84 Ų84159.5 Ų159.587%0.86682%0.82SS**  trans-149.493.3173.800000112.2
322R29.8Very low32.3Very low223 Ų223161 Ų16184%0.84283%0.827SS**  trans-107.7120-174.2-177.1-171.5-172.7-169.24.4111.1
323K36Very low32.5Very low208 Ų208164.8 Ų164.890%0.90482%0.824SS**  trans-142139.5161.7-81.5-166.1173.6-179.40111.7
324Q30.7Very low32.6Very low153 Ų153167.8 Ų167.872%0.71583%0.831SS**  trans-99.5156.6172.8-66.3155.7-110.400110.2
325Y33.8Very low32.8Very low210 Ų210165.7 Ų165.782%0.82482%0.823SS**  trans-156.6117.4136.3-93.5-74.2000106
326Q35.5Very low32.8Very low152 Ų152165 Ų16571%0.7183%0.825SS**  48.4114.5104.7-69.1-172.5-41.900114.6
327D30Very low33Very low144 Ų144161.8 Ų161.877%0.7783%0.825SS**  90.210753.9-77.4-48.4000113.1
328S32.7Very low32.9Very low123 Ų123160 Ų16086%0.8682%0.817SS**  trans173.4112.5145.3-82.30000112.7
329P35.3Very low33.2Very low123 Ų123157.2 Ų157.280%0.79982%0.815SS**  trans-94.6149.5160.435.6-30.6000111.2
330N34.5Very low33.2Very low163 Ų163157.6 Ų157.687%0.87282%0.818SS**  trans-155.4166.9168-131.6-46.1000115.6
331Q33.1Very low33.2Very low161 Ų161157.3 Ų157.375%0.75281%0.811SS**  trans-104.9154.6-154.2-50.4172.8800115.9
332K35.9Very low33.2Very low207 Ų207158.6 Ų158.690%0.980%0.804SS**  trans179.5128.6142-94144-171.5174.30108.3
333K33.2Very low33Very low179 Ų179153.7 Ų153.778%0.77880%0.799SS**  cis89.38222.4-160.4179.7-177.21760116.3
334R33.9Very low32.8Very low246 Ų246152.5 Ų152.593%0.92879%0.794SS**  trans-157.1131.1149.9-86.4-177.6178.6-167.4-2.8106.1
335V36.7Very low32.8Very low110 Ų110153.2 Ų153.267%0.66780%0.797SS**  cis9996.621.3-176.70000114.7
336N29.3Very low32.5Very low156 Ų156152.2 Ų152.283%0.83480%0.8SS**  trans56.1143.4142.5-59.111.6000123.8
337G34Very low32.1Very low71 Ų71152.6 Ų152.673%0.73281%0.807SS**  trans140.481.3170.900000111.2
338I34Very low32Very low137 Ų137150.8 Ų150.870%0.70380%0.803SS**  82.6120.364-63.6179.5000114.2
339H33.5Very low31.7Very low193 Ų193152.4 Ų152.489%0.89480%0.801SS**  trans68.4141.6167.5-66.1-20.9000120
340G32.3Very low31.3Very low82 Ų82155.2 Ų155.285%0.84581%0.806SS**  trans151.443.1175.800000118.1
341Q28.2Very low30.8Very low179 Ų179155.4 Ų155.484%0.83680%0.799SS**  trans-102155.6161.7-114.1-162.415.600108.8
342P35.3Very low30.4Very low110 Ų110152.3 Ų152.371%0.71479%0.794SS**  -144.6169.752.842.2-23.7000118.1
343T25.9Very low29.9Very low120 Ų120150.6 Ų150.674%0.73679%0.789SS**  trans10.9128.4153.259.30000120.6
344K30.5Very low29.9Very low184 Ų184149.6 Ų149.680%0.879%0.785SS**  trans-153.8127.2137.4-121.3173.1-174.61750114.5
345Q30.5Very low30Very low167 Ų167147.1 Ų147.178%0.7878%0.781SS**  trans55.7116.7149.3-73.3162.7-36.800120.3
346Q27.2Very low29.9Very low190 Ų190145.8 Ų145.889%0.88877%0.769SS**  trans-55.8150151-63165.5-23.100110.6
347N28.1Very low30.5Very low159 Ų159142 Ų14285%0.8575%0.747SS**  trans-146.9146.4155.7-116.6-20000109.5
348P27.5Very low31.1Very low106 Ų106141.7 Ų141.769%0.68873%0.732SS**  trans-89.7142.5-159.9-8.127000114.7M350P348-M350 PolarHBondContact O-N 3.18Å
349L25.8Very low32.3Very low157 Ų157136 Ų13682%0.82270%0.701SS**  trans874.6142.4-166.475.9000117.3K351L349-K351 PolarHBondContact O-N 3.48Å
350M26.9Very low33.3Very low183 Ų183129 Ų12990%0.90167%0.668SS**  trans-82.9108.6163.3-79.1-154.4164.900110.3P348 C352P348-M350 PolarHBondContact O-N 3.18Å; M350-C352 PolarHBondContact O-N 2.94Å
351K25.6Very low34.1Very low166 Ų166126 Ų12672%0.72263%0.633SS**  trans-64.392170-71.2-177.1176.5-177.40110.1L349 E353L349-K351 PolarHBondContact O-N 3.48Å; K351-E353 VanDerWaalsContact C-N 3.34Å; K351-E353 HydrophobicContact CB-CG 4.46Å; K351-E353 PolarHBondContact O-N 3.34Å
352C23.8Very low35.3Very low96 Ų96119.2 Ų119.265%0.64960%0.601SS**  trans-78.186.5170.6-164.80000109.1M350 K354M350-C352 PolarHBondContact O-N 2.94Å; C352-K354 PolarHBondContact O-N 3.47Å
353E24.8Very low36Very low172 Ų172116.8 Ų116.880%0.80458%0.582SS**  trans-71.562.4177.5-64.7-166.2143.900112.1K351 K355K351-E353 VanDerWaalsContact C-N 3.34Å; K351-E353 HydrophobicContact CB-CG 4.46Å; K351-E353 PolarHBondContact O-N 3.34Å; E353-K355 PolarHBondContact O-N 2.98Å
354K34.3Very low37.2Very low158 Ų158112.4 Ų112.469%0.68755%0.554SS**  trans-66.9115.9166.6-76.9176178.3177.80108.4C352 L356C352-K354 PolarHBondContact O-N 3.47Å; K354-L356 VanDerWaalsContact C-N 3.29Å; K354-L356 PolarHBondContact O-N 3.48Å
355K34.8Very low37.9Very low193 Ų193104.5 Ų104.584%0.83952%0.52SS*.  trans-69.682.1179.3-159.6175.7-173.7-179.10110E353 H357E353-K355 PolarHBondContact O-N 2.98Å; K355-H357 PolarHBondContact O-ND1 2.92Å
356L35.7Very low38.4Very low82 Ų82105.4 Ų105.443%0.42952%0.524SS..PPolyproline II helixtrans-63.8143.8179.5-63.3174.3000110.5K189 R191 K354K189-L356 VanDerWaalsContact O-CD2 3.31Å; K189-L356 WeakPolarHBondContact O-CD2 3.16Å; R191-L356 HydrophobicContact CG-CD1 4.45Å; K354-L356 VanDerWaalsContact C-N 3.29Å; K354-L356 PolarHBondContact O-N 3.48Å
357H42.2Very low39Very low78 Ų7898.9 Ų98.936%0.36150%0.497SS..PPolyproline II helixtrans-90139.9177.2-6846.1000108.7E147 K355E147-H357 IonicContact OE1-CD2 2.69Å; K355-H357 PolarHBondContact O-ND1 2.92Å
358P46.6Very low39.3Very low64 Ų6495.5 Ų95.542%0.41648%0.479SS..PPolyproline II helixtrans-57.3139.1168.3-20.232.1000109.7T404P358-T404 HydrophobicContact CG-CG2 3.77Å
359R58.4Low39.4Very low16 Ų1694.5 Ų94.56%0.0648%0.479CS..PPolyproline II helixtrans-64.7159.9179.8-58.5-171.3-168.6-144.117.3111.7L41 D48 R191 R192 E193L41-R359 VanDerWaalsContact CD2-O 3.23Å; L41-R359 WeakPolarHBondContact CD2-O 3.32Å; D48-R359 VanDerWaalsContact CG-NH2 3.25Å; D48-R359 IonicContact OD1-NH2 3.42Å; D48-R359 PolarHBondContact OD1-NH2 3.32Å; D48-R359 IonicContact OD2-CZ 3.47Å; D48-R359 VanDerWaalsContact OD2-CZ 3.3Å; D48-R359 IonicContact OD2-NE 2.75Å; D48-R359 PolarHBondContact OD2-NE 3.22Å; D48-R359 IonicContact OD2-NH2 3.3Å; D48-R359 PolarHBondContact OD2-NH2 2.87Å; R191-R359 PolarHBondContact O-NH1 3.49Å; R191-R359 PolarHBondContact O-NH2 3.09Å; R192-R359 PolarHBondContact O-NH1 3.33Å; R192-R359 VanDerWaalsContact O-NH1 3.15Å; E193-R359 WeakPolarHBondContact OE2-CD 3.45Å; E193-R359 IonicContact OE2-NH1 3.71Å; E193-R359 PolarHBondContact OE2-NH1 3.49Å
360K54.7Low39.5Very low47 Ų4791 Ų9120%0.20447%0.474CS..  trans-129.2-172.4174.7-76.3-177.7173.4-171.10111.1N132 Q362N132-K360 PolarHBondContact ND2-NZ 3.18Å; N132-K360 VanDerWaalsContact OD1-CE 3.28Å; N132-K360 WeakPolarHBondContact OD1-CE 3.18Å; N132-K360 PolarHBondContact OD1-NZ 3.14Å; K360-Q362 PolarHBondContact O-N 3.36Å
361L49.9Very low39.5Very low20 Ų2086.6 Ų86.611%0.10546%0.46CS..  trans-78.2108.2-150.9-171.763.7000113.8F37 E40 K94 V97 K130F37-L361 HydrophobicContact CD1-CD1 3.46Å; F37-L361 VanDerWaalsContact CD1-CD1 3.46Å; F37-L361 HydrophobicContact CD1-CD2 4.19Å; F37-L361 HydrophobicContact CD1-CG 4.47Å; F37-L361 HydrophobicContact CE1-CD1 3.47Å; F37-L361 VanDerWaalsContact CE1-CD1 3.47Å; F37-L361 HydrophobicContact CE1-CD2 3.57Å; F37-L361 HydrophobicContact CE1-CG 4.16Å; F37-L361 HydrophobicContact CZ-CD2 4.34Å; E40-L361 WeakPolarHBondContact OE2-CD1 3.44Å; K94-L361 HydrophobicContact CD-CD1 3.84Å; K94-L361 HydrophobicContact CD-CG 4.32Å; K94-L361 HydrophobicContact CG-CD1 4.25Å; K94-L361 HydrophobicContact CG-CD2 4.25Å; K94-L361 HydrophobicContact CG-CG 4.24Å; V97-L361 HydrophobicContact CG2-CD2 4.42Å; K130-L361 HydrophobicContact CB-CB 4.2Å; K130-L361 HydrophobicContact CB-CD2 4.36Å; K130-L361 HydrophobicContact CD-CB 4.16Å; K130-L361 HydrophobicContact CD-CD2 3.71Å; K130-L361 HydrophobicContact CD-CG 3.79Å; K130-L361 WeakPolarHBondContact CD-O 3.13Å
362Q52.1Low39.6Very low36 Ų3685.9 Ų85.917%0.16846%0.464CS..  trans-121.5142178.6-70.4-163.1-13.600113K94 E148 E193 K360 N364K94-Q362 WeakPolarHBondContact CE-O 3.49Å; K94-Q362 PolarHBondContact NZ-O 2.95Å; E148-Q362 PolarHBondContact OE1-NE2 3.2Å; E193-Q362 VanDerWaalsContact CG-OE1 3.29Å; K360-Q362 PolarHBondContact O-N 3.36Å; Q362-N364 WeakPolarHBondContact CB-ND2 3.4Å; Q362-N364 PolarHBondContact O-N 3.21Å
363D50.3Low39.9Very low58 Ų5889.1 Ų89.131%0.3147%0.474SS..  trans-81.9115.8171.4-82.6-55.9000111.9K94 K130K94-D363 WeakPolarHBondContact CE-OD1 3.45Å; K130-D363 IonicContact NZ-OD2 3.63Å; K130-D363 PolarHBondContact NZ-OD2 3Å
364N52.4Low40Very low28 Ų2886.9 Ų86.915%0.1547%0.474CS..  trans-130.113.9177.4-72.6-75.1000112.8L119 Q362 E366 T367L119-N364 WeakPolarHBondContact CB-OD1 3.3Å; L119-N364 HydrophobicContact CD1-CB 3.79Å; Q362-N364 WeakPolarHBondContact CB-ND2 3.4Å; Q362-N364 PolarHBondContact O-N 3.21Å; N364-E366 PolarHBondContact O-N 2.99Å; N364-E366 VanDerWaalsContact O-N 3.08Å; N364-T367 PolarHBondContact O-OG1 2.93Å
365F44.9Very low39.7Very low19 Ų1985.4 Ų85.48%0.08348%0.482CS..THydrogen-bonded Turntrans-61.9-11.5-176.5-84.8-68.9000116.2I62 R63 W90 K91 K94I62-F365 HydrophobicContact CG2-CD1 4.02Å; I62-F365 HydrophobicContact CG2-CE1 3.98Å; R63-F365 HydrophobicContact CG-CD1 4.44Å; R63-F365 HydrophobicContact CG-CE1 4.15Å; W90-F365 HydrophobicContact CD2-CZ 4.48Å; W90-F365 HydrophobicContact CE3-CE1 4.46Å; W90-F365 HydrophobicContact CE3-CE2 4.32Å; W90-F365 AromaticContact CE3-CZ 3.55Å; W90-F365 HydrophobicContact CE3-CZ 3.55Å; W90-F365 HydrophobicContact CH2-CZ 4.35Å; W90-F365 HydrophobicContact CZ3-CE1 4.2Å; W90-F365 HydrophobicContact CZ3-CE2 4.21Å; W90-F365 AromaticContact CZ3-CZ 3.47Å; W90-F365 HydrophobicContact CZ3-CZ 3.47Å; W90-F365 VanDerWaalsContact CZ3-CZ 3.47Å; K91-F365 HydrophobicContact CB-CD2 4.16Å; K91-F365 HydrophobicContact CB-CE1 4.44Å; K91-F365 HydrophobicContact CB-CE2 3.59Å; K91-F365 HydrophobicContact CB-CZ 3.73Å; K91-F365 HydrophobicContact CD-CB 4.34Å; K91-F365 HydrophobicContact CD-CD1 4.32Å; K91-F365 HydrophobicContact CD-CD2 3.96Å; K91-F365 HydrophobicContact CD-CE2 4.22Å; K91-F365 HydrophobicContact CD-CG 3.99Å; K91-F365 HydrophobicContact CD-CZ 4.5Å; K91-F365 HydrophobicContact CG-CD2 3.7Å; K91-F365 HydrophobicContact CG-CE2 3.66Å; K91-F365 HydrophobicContact CG-CG 4.25Å; K91-F365 HydrophobicContact CG-CZ 4.18Å; K94-F365 HydrophobicContact CD-CE2 4.21Å
366E39.7Very low39.6Very low186 Ų18681.5 Ų81.587%0.86948%0.48SS*.THydrogen-bonded Turntrans-95.77.9-173.8-58.4-166.9142.600113.8N364N364-E366 PolarHBondContact O-N 2.99Å; N364-E366 VanDerWaalsContact O-N 3.08Å
367T40Very low39.2Very low52 Ų5280.8 Ų80.832%0.31949%0.491SS..  trans-106.54.7-171.5-26.70000114.5L119 N364 A369L119-T367 HydrophobicContact CB-CG2 4.37Å; N364-T367 PolarHBondContact O-OG1 2.93Å; T367-A369 PolarHBondContact O-N 3.28Å
368D34.8Very low38.7Very low89 Ų8986.8 Ų86.848%0.47652%0.52SS..  trans-74.616.5-175.4-68-25.2000114.3G61G61-D368 WeakPolarHBondContact CA-OD1 3.48Å
369A29Very low37.9Very low84 Ų8491.1 Ų91.169%0.69454%0.539SS*.SBendtrans-102.89217900000112.2T367T367-A369 PolarHBondContact O-N 3.28Å
370A27.8Very low36.8Very low85 Ų8595.2 Ų95.270%0.70257%0.568SS**  trans45100.1162.700000117.7
371C28.4Very low35.7Very low90 Ų90101.5 Ų101.561%0.60860%0.603SS**  trans-112.465.2161.5-81.60000110.9L373C371-L373 PolarHBondContact O-N 3.12Å
372D26.4Very low34.7Very low150 Ų150106 Ų10680%0.80263%0.631SS**  trans-67.8120.9166.9-68.6-58000110
373L30.5Very low33.7Very low164 Ų164113.6 Ų113.686%0.85967%0.667SS**  trans-128.4105.6172-165.579.1000109.1C371 C375C371-L373 PolarHBondContact O-N 3.12Å; L373-C375 PolarHBondContact O-N 2.76Å
374P26.7Very low32.7Very low125 Ų125119 Ų11981%0.81269%0.69SS**  trans-76.2113.4-179.629.6-32.4000110.1
375C29.1Very low31.8Very low127 Ų127122.6 Ų122.686%0.85872%0.724SS**  trans-92.4132.8160.8-1440000108.5L373L373-C375 PolarHBondContact O-N 2.76Å
376S32.2Very low31Very low112 Ų112131 Ų13178%0.78376%0.763SS**  trans-71.5175.5176.347.70000112.2
377G27.3Very low30.6Very low66 Ų66125.7 Ų125.768%0.6876%0.759SS**  trans-55.8175.3174.500000113.9
378E31.3Very low30.2Very low204 Ų204132.3 Ų132.395%0.95379%0.785SS**  -132.2164.558.7-46.8-175.2137.600113.5
379D29.4Very low29.9Very low155 Ų155133.4 Ų133.483%0.82980%0.8SS**  trans-125.9174.3-171.5-137.7-0.6000110.4
380P36.6Very low30.1Very low103 Ų103136 Ų13667%0.66981%0.807SS**  -121.7179.3-111.139.5-23.6000114.8
381L30.9Very low30.1Very low179 Ų179136.4 Ų136.494%0.93781%0.81SS**  trans-128.9153.7165.9-87.5172.3000111.9
382V29.3Very low30.2Very low115 Ų115138.4 Ų138.470%0.69782%0.824SS**  trans-117.1141.5-164.6173.70000110.5
383E31.5Very low30.3Very low194 Ų194139.5 Ų139.591%0.90783%0.83SS**  trans-150.5150.8144.9-135.2169.8-164.300112.1
384H29Very low30.2Very low171 Ų171134.8 Ų134.879%0.79282%0.821SS**  trans-102.8145.7-176.5-81.5-116.3000111.6
385A32.7Very low30.3Very low105 Ų105137.2 Ų137.287%0.86882%0.821SS**  trans-151125.5154.700000110.4
386E28Very low30.1Very low195 Ų195136.4 Ų136.491%0.91182%0.815SS**  trans-88142.3174.2-61.6-179.1127.700110.6
387G32.2Very low30Very low75 Ų75139.5 Ų139.577%0.77382%0.815SS**  trans-151.9116.2-176.900000112.5
388H31.7Very low30.2Very low191 Ų191144.9 Ų144.988%0.88482%0.82SS**  trans-67.5154-167.6-82.679000115.9
389S27.3Very low30.1Very low112 Ų112140.3 Ų140.378%0.78381%0.808SS**  trans-59139.3173.9176.60000114.6
390V32.8Very low30.1Very low138 Ų138142 Ų14284%0.83681%0.808SS**  trans-137.7135.6148.8-178.60000108.3
391A28.3Very low29.9Very low94 Ų94142 Ų14278%0.77781%0.81SS**  trans-80142.9-177.800000113
392C30Very low30Very low131 Ų131137 Ų13789%0.88579%0.791SS**  trans-122115.8168.751.40000110.6
393N28.6Very low30.3Very low174 Ų174142.2 Ų142.293%0.9380%0.798SS**  trans-106.3132.3-178.2-159.54.4000109.5
394G29.1Very low30.7Very low65 Ų65136.3 Ų136.367%0.6778%0.775SS**SBendtrans119.6127.9164.400000118.4
395H28.5Very low31.1Very low175 Ų175132 Ų13281%0.8175%0.754SS**  trans53.775.5155-79.5-55.7000120.4K397H395-K397 PolarHBondContact O-N 3.07Å
396C26.3Very low31.3Very low110 Ų110133.5 Ų133.574%0.74375%0.747SS**  trans-74.5111.8143.8-910000110.3F398C396-F398 HydrophobicContact CB-CD2 4.4Å; C396-F398 HydrophobicContact CB-CE2 3.95Å; C396-F398 HydrophobicContact CB-CZ 4.45Å
397K28.9Very low31.8Very low178 Ų178128.5 Ų128.577%0.77473%0.734SS**  trans-88.7125164-67.5179.1179.51770108.5H395 P399H395-K397 PolarHBondContact O-N 3.07Å; K397-P399 VanDerWaalsContact O-CD 3.22Å; K397-P399 WeakPolarHBondContact O-CD 3.37Å
398F31.1Very low32.1Very low178 Ų178126.9 Ų126.978%0.78171%0.705SS**  trans-107.495.5175.6-75.5-76.3000111.8C396 F400C396-F398 HydrophobicContact CB-CD2 4.4Å; C396-F398 HydrophobicContact CB-CE2 3.95Å; C396-F398 HydrophobicContact CB-CZ 4.45Å; F398-F400 PolarHBondContact O-N 3.07Å
399P30.3Very low32.9Very low109 Ų109123.5 Ų123.571%0.70869%0.688SS**  trans-97.145.5-179.439.5-37.7000113.2K397K397-P399 VanDerWaalsContact O-CD 3.22Å; K397-P399 WeakPolarHBondContact O-CD 3.37Å
400F29.1Very low34.2Very low191 Ų191119 Ų11984%0.83865%0.654SS**  trans-135.264.7-179.6-83.7-74.6000113.6F398F398-F400 PolarHBondContact O-N 3.07Å
401S32.1Very low35.2Very low102 Ų102114.8 Ų114.871%0.71363%0.627SS**  trans-84.9117.7153178.30000108.4R403S401-R403 PolarHBondContact O-N 3.03Å
402S33.4Very low36.4Very low75 Ų75115.8 Ų115.852%0.52462%0.616SS.*  trans-76.5120.3174.751.10000109.5T404 F405S402-T404 PolarHBondContact O-N 3.05Å; S402-F405 WeakPolarHBondContact O-CB 3.38Å; S402-F405 PolarHBondContact O-N 3.22Å
403R36.1Very low37.5Very low224 Ų224115 Ų11585%0.84560%0.603SS**G310 helixtrans-55.4-18.7-178.4-84.4-177.3168176-4.7114.5S401 F405 L406S401-R403 PolarHBondContact O-N 3.03Å; R403-F405 PolarHBondContact O-N 2.78Å; R403-L406 PolarHBondContact O-N 2.95Å
404T38.9Very low38.7Very low69 Ų69108 Ų10842%0.42357%0.568SS.*G310 helixtrans-64.1-14.5173.3-19.20000114P358 S402 L406P358-T404 HydrophobicContact CG-CG2 3.77Å; S402-T404 PolarHBondContact O-N 3.05Å; T404-L406 VanDerWaalsContact C-N 3.25Å; T404-L406 PolarHBondContact O-N 2.99Å
405F38.7Very low39.8Very low80 Ų80105.7 Ų105.735%0.35154%0.541SS..G310 helixtrans-69.7-19.8174.1-164.7-97.9000113.1S402 R403 S407S402-F405 WeakPolarHBondContact O-CB 3.38Å; S402-F405 PolarHBondContact O-N 3.22Å; R403-F405 PolarHBondContact O-N 2.78Å; F405-S407 PolarHBondContact O-N 3.38Å
406L35Very low41.1Very low137 Ų137101.1 Ų101.172%0.71752%0.521SS*.G310 helixtrans-84.5-4.3-172.1-63.8172.9000114.9R403 T404R403-L406 PolarHBondContact O-N 2.95Å; T404-L406 VanDerWaalsContact C-N 3.25Å; T404-L406 PolarHBondContact O-N 2.99Å
407S40Very low42.7Very low91 Ų91104 Ų10464%0.63652%0.521SS*.G310 helixtrans-117.518.7-173.9600000114.2F405F405-S407 PolarHBondContact O-N 3.38Å
408F37.5Very low43.9Very low41 Ų4199.5 Ų99.518%0.1850%0.504CS..  trans-108.8118.1173.6-169.2-115.3000110L41 F410L41-F408 HydrophobicContact CD1-CD1 4.33Å; L41-F408 HydrophobicContact CD1-CE1 4.18Å; F408-F410 HydrophobicContact CD1-CE2 4.47Å; F408-F410 HydrophobicContact CE1-CD2 4.3Å; F408-F410 AromaticContact CE1-CE2 3.47Å; F408-F410 HydrophobicContact CE1-CE2 3.47Å; F408-F410 VanDerWaalsContact CE1-CE2 3.47Å; F408-F410 AromaticContact CE1-CZ 3.9Å; F408-F410 HydrophobicContact CE1-CZ 3.9Å; F408-F410 HydrophobicContact CE2-CZ 4.38Å; F408-F410 HydrophobicContact CZ-CD2 4.43Å; F408-F410 HydrophobicContact CZ-CE1 4.34Å; F408-F410 AromaticContact CZ-CE2 3.52Å; F408-F410 HydrophobicContact CZ-CE2 3.52Å; F408-F410 AromaticContact CZ-CZ 3.45Å; F408-F410 HydrophobicContact CZ-CZ 3.45Å; F408-F410 VanDerWaalsContact CZ-CZ 3.45Å
409K50.1Low44.7Very low120 Ų12096.8 Ų96.852%0.52250%0.497SS..  trans-149.1160.6170.4-67.2-163.7175.6-166.80108.3K133K133-K409 HydrophobicContact CB-CB 4.23Å; K133-K409 WeakPolarHBondContact CB-O 3.24Å; K133-K409 HydrophobicContact CD-CB 4Å; K133-K409 PolarHBondContact N-O 3.08Å
410F54Low45.3Very low17 Ų1796.7 Ų96.78%0.07549%0.491CS..  trans-108.2147.1-177.8-80.7-82.7000114.9F37 K133 F408 Q412F37-F410 HydrophobicContact CB-CE2 3.67Å; F37-F410 HydrophobicContact CB-CZ 3.58Å; F37-F410 HydrophobicContact CD1-CE1 4.25Å; F37-F410 AromaticContact CD1-CZ 3.67Å; F37-F410 HydrophobicContact CD1-CZ 3.67Å; F37-F410 HydrophobicContact CD2-CD2 4.34Å; F37-F410 AromaticContact CD2-CE1 3.87Å; F37-F410 HydrophobicContact CD2-CE1 3.87Å; F37-F410 AromaticContact CD2-CE2 3.54Å; F37-F410 HydrophobicContact CD2-CE2 3.54Å; F37-F410 AromaticContact CD2-CZ 3.27Å; F37-F410 HydrophobicContact CD2-CZ 3.27Å; F37-F410 HydrophobicContact CE1-CE1 4.24Å; F37-F410 HydrophobicContact CE1-CZ 4.12Å; F37-F410 HydrophobicContact CE2-CD1 4.5Å; F37-F410 AromaticContact CE2-CE1 3.88Å; F37-F410 HydrophobicContact CE2-CE1 3.88Å; F37-F410 HydrophobicContact CE2-CE2 4.31Å; F37-F410 AromaticContact CE2-CZ 3.78Å; F37-F410 HydrophobicContact CE2-CZ 3.78Å; F37-F410 HydrophobicContact CG-CE1 4.06Å; F37-F410 AromaticContact CG-CE2 3.68Å; F37-F410 HydrophobicContact CG-CE2 3.68Å; F37-F410 AromaticContact CG-CZ 3.21Å; F37-F410 HydrophobicContact CG-CZ 3.21Å; F37-F410 HydrophobicContact CZ-CE1 4.06Å; F37-F410 HydrophobicContact CZ-CZ 4.17Å; K133-F410 VanDerWaalsContact CB-C 3.42Å; K133-F410 WeakPolarHBondContact CD-O 3.33Å; K133-F410 WeakPolarHBondContact CE-O 3.37Å; K133-F410 WeakPolarHBondContact CG-O 3.34Å; F408-F410 HydrophobicContact CD1-CE2 4.47Å; F408-F410 HydrophobicContact CE1-CD2 4.3Å; F408-F410 AromaticContact CE1-CE2 3.47Å; F408-F410 HydrophobicContact CE1-CE2 3.47Å; F408-F410 VanDerWaalsContact CE1-CE2 3.47Å; F408-F410 AromaticContact CE1-CZ 3.9Å; F408-F410 HydrophobicContact CE1-CZ 3.9Å; F408-F410 HydrophobicContact CE2-CZ 4.38Å; F408-F410 HydrophobicContact CZ-CD2 4.43Å; F408-F410 HydrophobicContact CZ-CE1 4.34Å; F408-F410 AromaticContact CZ-CE2 3.52Å; F408-F410 HydrophobicContact CZ-CE2 3.52Å; F408-F410 AromaticContact CZ-CZ 3.45Å; F408-F410 HydrophobicContact CZ-CZ 3.45Å; F408-F410 VanDerWaalsContact CZ-CZ 3.45Å; F410-Q412 PolarHBondContact O-N 3.17Å
411D53.9Low45.8Very low50 Ų5099 Ų9927%0.26751%0.51SS..  trans-61.6130166.9-168.8-8.4000109.8R34 N413 A414 I415R34-D411 PolarHBondContact NH2-O 2.92Å; D411-N413 WeakPolarHBondContact OD1-CB 3.38Å; D411-N413 PolarHBondContact OD1-N 2.9Å; D411-A414 HydrophobicContact CB-CB 3.97Å; D411-A414 PolarHBondContact OD1-N 3.12Å; D411-A414 VanDerWaalsContact OD2-CB 3.32Å; D411-A414 WeakPolarHBondContact OD2-CB 3.43Å; D411-I415 WeakPolarHBondContact O-CG1 3.28Å
412Q53.3Low46.5Very low114 Ų11498.8 Ų98.853%0.53350%0.5SS..SBendtrans-94-33.8177.4-177.4176.60.700110.5F410 I415 M416F410-Q412 PolarHBondContact O-N 3.17Å; Q412-I415 WeakPolarHBondContact O-CB 3.37Å; Q412-I415 PolarHBondContact O-N 3.21Å; Q412-M416 WeakPolarHBondContact O-CG 3.11Å; Q412-M416 PolarHBondContact O-N 2.56Å
413N53.8Low47.2Very low116 Ų116100.1 Ų100.162%0.6250%0.499SS*.Hα-helixtrans-73.3-33.9-179.5-59.9-51.6000111.4D411 I415 K417D411-N413 WeakPolarHBondContact OD1-CB 3.38Å; D411-N413 PolarHBondContact OD1-N 2.9Å; N413-I415 VanDerWaalsContact C-N 3.32Å; N413-K417 WeakPolarHBondContact O-CB 3.35Å; N413-K417 WeakPolarHBondContact O-CG 3.47Å; N413-K417 PolarHBondContact O-N 2.93Å; N413-K417 VanDerWaalsContact O-N 3.12Å
414A53.6Low47.8Very low25 Ų2593.2 Ų93.221%0.20748%0.48CS..Hα-helixtrans-71.5-21.8170.600000113.8D411 I418D411-A414 HydrophobicContact CB-CB 3.97Å; D411-A414 PolarHBondContact OD1-N 3.12Å; D411-A414 VanDerWaalsContact OD2-CB 3.32Å; D411-A414 WeakPolarHBondContact OD2-CB 3.43Å; A414-I418 WeakPolarHBondContact O-CD1 3.37Å; A414-I418 WeakPolarHBondContact O-CG1 3.49Å
415I51.8Low48.3Very low17 Ų1794.6 Ų94.69%0.08748%0.483CS..Hα-helixtrans-73.5-56.7169-72.8-102.3000109.5R34 Y93 D411 Q412 N413 K417 I418 L419R34-I415 VanDerWaalsContact NH1-CD1 3.26Å; Y93-I415 HydrophobicContact CD1-CD1 3.89Å; Y93-I415 HydrophobicContact CD2-CD1 3.77Å; Y93-I415 HydrophobicContact CD2-CG1 4.43Å; Y93-I415 HydrophobicContact CE1-CD1 3.5Å; Y93-I415 VanDerWaalsContact CE1-CD1 3.5Å; Y93-I415 HydrophobicContact CE1-CG1 4.32Å; Y93-I415 HydrophobicContact CE2-CB 4.38Å; Y93-I415 HydrophobicContact CE2-CD1 3.37Å; Y93-I415 HydrophobicContact CE2-CG1 3.65Å; Y93-I415 HydrophobicContact CG-CD1 4.04Å; D411-I415 WeakPolarHBondContact O-CG1 3.28Å; Q412-I415 WeakPolarHBondContact O-CB 3.37Å; Q412-I415 PolarHBondContact O-N 3.21Å; N413-I415 VanDerWaalsContact C-N 3.32Å; I415-K417 VanDerWaalsContact C-N 3.29Å; I415-K417 PolarHBondContact O-N 2.98Å; I415-I418 PolarHBondContact O-N 3.14Å; I415-L419 HydrophobicContact CG2-CD1 3.69Å; I415-L419 HydrophobicContact CG2-CG 4.42Å; I415-L419 PolarHBondContact O-N 3.44Å
416M54.2Low48.9Very low79 Ų7995.5 Ų95.539%0.38949%0.491SS..Hα-helixtrans-58.6-42.9-173.5-62.6-50.2-56.600110.6Q412 I418 L419 D420Q412-M416 WeakPolarHBondContact O-CG 3.11Å; Q412-M416 PolarHBondContact O-N 2.56Å; M416-I418 PolarHBondContact O-N 3.05Å; M416-L419 PolarHBondContact O-N 3.11Å; M416-D420 WeakPolarHBondContact CB-OD2 3.27Å; M416-D420 WeakPolarHBondContact CE-OD1 3.48Å; M416-D420 VanDerWaalsContact O-CB 3.24Å; M416-D420 WeakPolarHBondContact O-CB 3.37Å; M416-D420 PolarHBondContact O-N 3.19Å
417K60.6Low49.8Very low172 Ų17292.7 Ų92.775%0.74848%0.476SS*.Hα-helixtrans-64.5-4.4175.2-72.9-176.6175.5-173.80116.9N413 I415N413-K417 WeakPolarHBondContact O-CB 3.35Å; N413-K417 WeakPolarHBondContact O-CG 3.47Å; N413-K417 PolarHBondContact O-N 2.93Å; N413-K417 VanDerWaalsContact O-N 3.12Å; I415-K417 VanDerWaalsContact C-N 3.29Å; I415-K417 PolarHBondContact O-N 2.98Å
418I55.4Low50.5Low82 Ų8292.9 Ų92.942%0.42147%0.465SS..Hα-helixtrans-106.2-23.7172.6-65.7175000110.9Y93 A414 I415 M416Y93-I418 HydrophobicContact CD2-CD1 4.2Å; Y93-I418 HydrophobicContact CE2-CD1 4.15Å; A414-I418 WeakPolarHBondContact O-CD1 3.37Å; A414-I418 WeakPolarHBondContact O-CG1 3.49Å; I415-I418 PolarHBondContact O-N 3.14Å; M416-I418 PolarHBondContact O-N 3.05Å
419L46.4Very low51.5Low121 Ų12196.8 Ų96.863%0.63449%0.487SS*.Hα-helixtrans-95.6-26.4177.9-60.5177.6000113.4I415 M416 L421I415-L419 HydrophobicContact CG2-CD1 3.69Å; I415-L419 HydrophobicContact CG2-CG 4.42Å; I415-L419 PolarHBondContact O-N 3.44Å; M416-L419 PolarHBondContact O-N 3.11Å; L419-L421 PolarHBondContact O-N 2.86Å
420D43Very low51.6Low108 Ų10894.9 Ų94.958%0.57848%0.484SS*.  trans-8191.5178.9-64.8-25.2000110M416M416-D420 WeakPolarHBondContact CB-OD2 3.27Å; M416-D420 WeakPolarHBondContact CE-OD1 3.48Å; M416-D420 VanDerWaalsContact O-CB 3.24Å; M416-D420 WeakPolarHBondContact O-CB 3.37Å; M416-D420 PolarHBondContact O-N 3.19Å
421L39.7Very low51.4Low238 Ų238102 Ų102100%1.24652%0.521SS*.  trans-86.10166.5-115.3170.1000111.3L419L419-L421 PolarHBondContact O-N 2.86Å

Retrieved 421 of 421 residues in 188.4 ms (Link to these results)

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