A0A060VQ55_ONCMY Loading...

THO complex 1

AlphaFold DB , UniProt , Accession A0A060VQ55, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 657 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
1M40.8Very low65.2Low246 Ų246114.1 Ų114.1100%1.21263%0.628SS**  0104.30-76.8177.117200106.6
2S38.3Very low66.8Low116 Ų116105.1 Ų105.181%0.81158%0.58SS**PPolyproline II helixtrans-62.5141.2172.2-52.50000108.7
3P44.5Very low68.3Low107 Ų107100.4 Ų100.470%0.69555%0.55SS*.PPolyproline II helixtrans-61.7150.7-179.526.8-32.2000109.8I5P3-I5 PolarHBondContact O-N 2.92Å; P3-I5 VanDerWaalsContact O-N 3.11Å
4P50.8Low69.8Low117 Ų117100.4 Ų100.476%0.7655%0.549SS*.PPolyproline II helixtrans-59.6121.1172.425.9-30.4000107.3L6P4-L6 PolarHBondContact O-N 3.28Å
5I61.1Low71Confident128 Ų12898.2 Ų98.266%0.65654%0.54SS*.  trans-63105.5175-60.5168000105.8P3 F7P3-I5 PolarHBondContact O-N 2.92Å; P3-I5 VanDerWaalsContact O-N 3.11Å; I5-F7 PolarHBondContact O-N 2.79Å
6L65Low72.1Confident158 Ų15892.1 Ų92.183%0.82751%0.506SS*.  trans-67.5117.7175.6-110.7132.7000107.6P4 N8P4-L6 PolarHBondContact O-N 3.28Å; L6-N8 PolarHBondContact O-N 3.09Å
7F77.8Confident73.1Confident35 Ų3586.9 Ų86.915%0.15448%0.478CS..  trans-66.1112.5175.4-179.3-103.1000109.4I5 F9 A12 I39 T40 E45 K46 T49I5-F7 PolarHBondContact O-N 2.79Å; F7-F9 HydrophobicContact CE1-CB 4.44Å; F7-F9 HydrophobicContact CE1-CD2 4.21Å; F7-F9 PolarHBondContact O-N 2.66Å; F7-A12 HydrophobicContact CE1-CB 4.3Å; F7-A12 HydrophobicContact CE2-CB 3.92Å; F7-A12 HydrophobicContact CZ-CB 3.57Å; F7-I39 HydrophobicContact CD2-CG2 4.44Å; F7-I39 HydrophobicContact CE2-CG2 3.72Å; F7-T40 WeakPolarHBondContact CD2-O 3.48Å; F7-E45 HydrophobicContact CD1-CB 4.14Å; F7-E45 HydrophobicContact CE1-CB 4.12Å; F7-E45 HydrophobicContact CG-CB 4.49Å; F7-E45 HydrophobicContact CZ-CB 4.47Å; F7-K46 HydrophobicContact CE2-CG 4.12Å; F7-T49 HydrophobicContact CE1-CG2 3.52Å; F7-T49 HydrophobicContact CZ-CG2 3.7Å
8N82.9Confident73.9Confident79 Ų7985.3 Ų85.342%0.42248%0.478SS..  trans-82.3101.3174.9-169.4-12.2000109.7L6 N10 D11 A12L6-N8 PolarHBondContact O-N 3.09Å; N8-N10 PolarHBondContact O-N 3.22Å; N8-N10 PolarHBondContact OD1-N 3.29Å; N8-D11 HydrophobicContact CB-CB 4.23Å; N8-D11 PolarHBondContact ND2-OD1 3.2Å; N8-D11 PolarHBondContact ND2-OD2 3.45Å; N8-A12 VanDerWaalsContact O-CB 3.29Å; N8-A12 WeakPolarHBondContact O-CB 3.39Å; N8-A12 PolarHBondContact O-N 3.39Å; N8-A12 VanDerWaalsContact O-N 3.08Å
9F83.9Confident74.6Confident70 Ų7081.4 Ų81.431%0.30746%0.458SS..Hα-helixtrans-58.9-43.4-176.4-174.2-86000113.2F7 K13 T49 Q52F7-F9 HydrophobicContact CE1-CB 4.44Å; F7-F9 HydrophobicContact CE1-CD2 4.21Å; F7-F9 PolarHBondContact O-N 2.66Å; F9-K13 HydrophobicContact CE1-CD 4.02Å; F9-K13 VanDerWaalsContact O-CB 3.22Å; F9-K13 WeakPolarHBondContact O-CB 3.41Å; F9-K13 PolarHBondContact O-N 3.38Å; F9-T49 HydrophobicContact CD1-CG2 4.47Å; F9-T49 HydrophobicContact CD2-CG2 3.22Å; F9-T49 HydrophobicContact CE1-CG2 4.39Å; F9-T49 HydrophobicContact CE2-CG2 3.12Å; F9-T49 HydrophobicContact CG-CG2 3.92Å; F9-T49 HydrophobicContact CZ-CG2 3.73Å; F9-Q52 VanDerWaalsContact CZ-OE1 3.24Å
10N85.9Confident75.2Confident104 Ų10477.4 Ų77.456%0.55644%0.435SS*.Hα-helixtrans-70.7-47.4-174.7-67.9-27.7000111.1N8 A12 K13 D14N8-N10 PolarHBondContact O-N 3.22Å; N8-N10 PolarHBondContact OD1-N 3.29Å; N10-A12 VanDerWaalsContact C-N 3.31Å; N10-A12 PolarHBondContact O-N 3.32Å; N10-K13 PolarHBondContact O-N 3.16Å; N10-D14 PolarHBondContact O-N 2.72Å
11D85.7Confident75.7Confident95 Ų9579.3 Ų79.351%0.50844%0.436SS..Hα-helixtrans-62-40.8177.9-62.50.8000111.4N8 T15N8-D11 HydrophobicContact CB-CB 4.23Å; N8-D11 PolarHBondContact ND2-OD1 3.2Å; N8-D11 PolarHBondContact ND2-OD2 3.45Å; D11-T15 WeakPolarHBondContact O-CB 3.36Å; D11-T15 PolarHBondContact O-N 3.15Å; D11-T15 PolarHBondContact O-OG1 3.09Å
12A84.6Confident77.8Confident6 Ų669.9 Ų69.95%0.0539%0.394CS..Hα-helixtrans-64.3-43.6175.700000111.4F7 N8 N10 T15 F16 I39F7-A12 HydrophobicContact CE1-CB 4.3Å; F7-A12 HydrophobicContact CE2-CB 3.92Å; F7-A12 HydrophobicContact CZ-CB 3.57Å; N8-A12 VanDerWaalsContact O-CB 3.29Å; N8-A12 WeakPolarHBondContact O-CB 3.39Å; N8-A12 PolarHBondContact O-N 3.39Å; N8-A12 VanDerWaalsContact O-N 3.08Å; N10-A12 VanDerWaalsContact C-N 3.31Å; N10-A12 PolarHBondContact O-N 3.32Å; A12-T15 PolarHBondContact O-N 3.49Å; A12-F16 HydrophobicContact CB-CE2 4.47Å; A12-F16 WeakPolarHBondContact O-CB 3.43Å; A12-F16 WeakPolarHBondContact O-CD2 3.32Å; A12-F16 WeakPolarHBondContact O-CG 3.17Å; A12-F16 PolarHBondContact O-N 2.86Å; A12-I39 HydrophobicContact CB-CD1 4.26Å; A12-I39 HydrophobicContact CB-CG2 4.25Å
13K87.2Confident80Confident44 Ų4464.4 Ų64.419%0.19136%0.355CS..Hα-helixtrans-63.4-44.6177.8-172.6-176.3178.9-1590111.9F9 N10 T15 F16 T17 A53F9-K13 HydrophobicContact CE1-CD 4.02Å; F9-K13 VanDerWaalsContact O-CB 3.22Å; F9-K13 WeakPolarHBondContact O-CB 3.41Å; F9-K13 PolarHBondContact O-N 3.38Å; N10-K13 PolarHBondContact O-N 3.16Å; K13-T15 VanDerWaalsContact C-N 3.33Å; K13-T15 PolarHBondContact O-N 3.28Å; K13-F16 PolarHBondContact O-N 3.13Å; K13-T17 WeakPolarHBondContact O-CB 3.27Å; K13-T17 PolarHBondContact O-N 2.89Å; K13-T17 PolarHBondContact O-OG1 3.24Å; K13-A53 HydrophobicContact CG-CB 4.44Å
14D88.8Confident81.7Confident101 Ų10160.4 Ų60.454%0.5433%0.328SS..Hα-helixtrans-63.5-41.5177.4-70.8-18.1000111.3N10 T17 A18N10-D14 PolarHBondContact O-N 2.72Å; D14-T17 PolarHBondContact O-N 3.05Å; D14-A18 PolarHBondContact O-N 3.26Å
15T87.6Confident83.2Confident67 Ų6761.2 Ų61.241%0.41133%0.326SS..Hα-helixtrans-62.5-45.8175.4-550000111.4D11 A12 K13 T17 A18 A19 I39D11-T15 WeakPolarHBondContact O-CB 3.36Å; D11-T15 PolarHBondContact O-N 3.15Å; D11-T15 PolarHBondContact O-OG1 3.09Å; A12-T15 PolarHBondContact O-N 3.49Å; K13-T15 VanDerWaalsContact C-N 3.33Å; K13-T15 PolarHBondContact O-N 3.28Å; T15-T17 VanDerWaalsContact C-N 3.32Å; T15-T17 PolarHBondContact O-N 3.4Å; T15-A18 PolarHBondContact O-N 3.01Å; T15-A19 WeakPolarHBondContact O-CB 3.43Å; T15-A19 PolarHBondContact O-N 3.09Å; T15-I39 HydrophobicContact CG2-CD1 4.22Å
16F89.3Confident84Confident0 Ų059.9 Ų59.90%032%0.32CS..Hα-helixtrans-65.9-34.2175.9-75.4-48.5000112.8A12 K13 A19 T20 A35 F36 I39 T49 L50 A53A12-F16 HydrophobicContact CB-CE2 4.47Å; A12-F16 WeakPolarHBondContact O-CB 3.43Å; A12-F16 WeakPolarHBondContact O-CD2 3.32Å; A12-F16 WeakPolarHBondContact O-CG 3.17Å; A12-F16 PolarHBondContact O-N 2.86Å; K13-F16 PolarHBondContact O-N 3.13Å; F16-A19 PolarHBondContact O-N 3.44Å; F16-T20 WeakPolarHBondContact O-CB 3.48Å; F16-T20 PolarHBondContact O-N 3.16Å; F16-T20 PolarHBondContact O-OG1 3.04Å; F16-A35 HydrophobicContact CD1-CB 4.15Å; F16-A35 HydrophobicContact CE1-CB 4.24Å; F16-F36 HydrophobicContact CE1-CB 4.08Å; F16-F36 HydrophobicContact CE1-CD2 4.18Å; F16-F36 AromaticContact CZ-CD2 3.97Å; F16-F36 HydrophobicContact CZ-CD2 3.97Å; F16-I39 HydrophobicContact CD1-CD1 4.05Å; F16-I39 HydrophobicContact CD2-CD1 4.02Å; F16-I39 HydrophobicContact CE1-CD1 3.63Å; F16-I39 HydrophobicContact CE2-CD1 3.58Å; F16-I39 HydrophobicContact CG-CD1 4.24Å; F16-I39 HydrophobicContact CZ-CD1 3.37Å; F16-T49 WeakPolarHBondContact CE2-OG1 3.47Å; F16-L50 HydrophobicContact CB-CD1 3.96Å; F16-L50 HydrophobicContact CD1-CD1 3.7Å; F16-L50 HydrophobicContact CD2-CB 4.33Å; F16-L50 HydrophobicContact CE1-CD1 4.27Å; F16-L50 HydrophobicContact CE2-CB 4.39Å; F16-L50 HydrophobicContact CG-CB 4.44Å; F16-L50 HydrophobicContact CG-CD1 3.86Å; F16-A53 HydrophobicContact CB-CB 3.67Å
17T88.3Confident84.6Confident5 Ų560.1 Ų60.13%0.03132%0.315CS..Hα-helixtrans-67.6-45.2177.5-56.90000110.1K13 D14 T15 T20 R21 V57K13-T17 WeakPolarHBondContact O-CB 3.27Å; K13-T17 PolarHBondContact O-N 2.89Å; K13-T17 PolarHBondContact O-OG1 3.24Å; D14-T17 PolarHBondContact O-N 3.05Å; T15-T17 VanDerWaalsContact C-N 3.32Å; T15-T17 PolarHBondContact O-N 3.4Å; T17-T20 PolarHBondContact O-N 3.47Å; T17-R21 WeakPolarHBondContact O-CG 3.39Å; T17-R21 PolarHBondContact O-N 2.97Å; T17-V57 HydrophobicContact CG2-CG2 3.82Å
18A88.1Confident84.8Confident57 Ų5761.1 Ų61.147%0.47132%0.324SS..Hα-helixtrans-62.3-42.8173.700000112.2D14 T15 T20 R21 S22D14-A18 PolarHBondContact O-N 3.26Å; T15-A18 PolarHBondContact O-N 3.01Å; A18-T20 VanDerWaalsContact C-N 3.32Å; A18-T20 PolarHBondContact O-N 3.49Å; A18-R21 PolarHBondContact O-N 3.43Å; A18-S22 PolarHBondContact O-N 3.16Å
19A86.8Confident84.7Confident12 Ų1258.3 Ų58.310%0.09931%0.31CS..Hα-helixtrans-63.5-37.1175.200000112.2T15 F16 S22 A23 A35T15-A19 WeakPolarHBondContact O-CB 3.43Å; T15-A19 PolarHBondContact O-N 3.09Å; F16-A19 PolarHBondContact O-N 3.44Å; A19-S22 PolarHBondContact O-N 3.27Å; A19-A23 VanDerWaalsContact O-CB 3.23Å; A19-A23 WeakPolarHBondContact O-CB 3.28Å; A19-A23 PolarHBondContact O-N 3.32Å; A19-A35 HydrophobicContact CB-CB 3.73Å
20T86.5Confident84.7Confident0 Ų062.1 Ų62.10%033%0.327CS..Hα-helixtrans-66.6-43.3176.8-58.60000111.4F16 T17 A18 A23 L24 L54 V57 L75F16-T20 WeakPolarHBondContact O-CB 3.48Å; F16-T20 PolarHBondContact O-N 3.16Å; F16-T20 PolarHBondContact O-OG1 3.04Å; T17-T20 PolarHBondContact O-N 3.47Å; A18-T20 VanDerWaalsContact C-N 3.32Å; A18-T20 PolarHBondContact O-N 3.49Å; T20-A23 WeakPolarHBondContact O-CB 3.43Å; T20-A23 PolarHBondContact O-N 2.86Å; T20-L24 HydrophobicContact CG2-CD1 4.42Å; T20-L24 WeakPolarHBondContact O-CG 3.5Å; T20-L24 PolarHBondContact O-N 3.23Å; T20-L54 HydrophobicContact CG2-CD2 3.73Å; T20-V57 HydrophobicContact CG2-CB 4.16Å; T20-V57 HydrophobicContact CG2-CG1 4.18Å; T20-V57 HydrophobicContact CG2-CG2 3.88Å; T20-L75 HydrophobicContact CG2-CD1 3.9Å
21R86.2Confident84.5Confident119 Ų11958.5 Ų58.545%0.44931%0.309SS..Hα-helixtrans-60.8-46.4173.8-68.8178.3-175.4160.31.9111.2T17 A18 A23 L24 D25 E60T17-R21 WeakPolarHBondContact O-CG 3.39Å; T17-R21 PolarHBondContact O-N 2.97Å; A18-R21 PolarHBondContact O-N 3.43Å; R21-A23 VanDerWaalsContact C-N 3.27Å; R21-A23 PolarHBondContact O-N 3.48Å; R21-L24 WeakPolarHBondContact O-CB 3.37Å; R21-L24 PolarHBondContact O-N 3.34Å; R21-D25 PolarHBondContact O-N 3.02Å; R21-E60 IonicContact CZ-OE2 3.15Å; R21-E60 IonicContact NE-OE2 3.41Å; R21-E60 IonicContact NH2-OE1 2.64Å; R21-E60 PolarHBondContact NH2-OE1 3.39Å; R21-E60 IonicContact NH2-OE2 2.58Å; R21-E60 PolarHBondContact NH2-OE2 3.42Å
22S84.7Confident84.4Confident48 Ų4854 Ų5434%0.33629%0.285SS..Hα-helixtrans-62-34.9175.8-171.10000113A18 A19 N26A18-S22 PolarHBondContact O-N 3.16Å; A19-S22 PolarHBondContact O-N 3.27Å; S22-N26 WeakPolarHBondContact O-CB 3.46Å; S22-N26 PolarHBondContact O-N 2.98Å; S22-N26 VanDerWaalsContact O-N 3.16Å; S22-N26 PolarHBondContact O-ND2 3.11Å; S22-N26 PolarHBondContact OG-ND2 3.05Å
23A83.9Confident84.4Confident0 Ų055.4 Ų55.40%029%0.291CS..Hα-helixtrans-71.1-35.4176.900000112.4A19 T20 R21 K27 T28 P31 L32 L78A19-A23 VanDerWaalsContact O-CB 3.23Å; A19-A23 WeakPolarHBondContact O-CB 3.28Å; A19-A23 PolarHBondContact O-N 3.32Å; T20-A23 WeakPolarHBondContact O-CB 3.43Å; T20-A23 PolarHBondContact O-N 2.86Å; R21-A23 VanDerWaalsContact C-N 3.27Å; R21-A23 PolarHBondContact O-N 3.48Å; A23-K27 VanDerWaalsContact O-CA 3.31Å; A23-K27 WeakPolarHBondContact O-CA 3.24Å; A23-K27 PolarHBondContact O-N 2.94Å; A23-T28 WeakPolarHBondContact CA-O 3.4Å; A23-T28 VanDerWaalsContact CB-O 3.29Å; A23-T28 WeakPolarHBondContact CB-O 3.29Å; A23-T28 PolarHBondContact O-N 3.22Å; A23-T28 VanDerWaalsContact O-N 3.17Å; A23-P31 HydrophobicContact CB-CB 4.43Å; A23-P31 HydrophobicContact CB-CG 4.36Å; A23-L32 HydrophobicContact CB-CD1 3.99Å; A23-L78 HydrophobicContact CB-CD1 4.25Å; A23-L78 HydrophobicContact CB-CD2 3.72Å
24L82Confident84.3Confident23 Ų2357.8 Ų57.812%0.1231%0.306CS..Hα-helixtrans-65.4-47.3173.3-76.1166.1000111.5T20 R21 N26 K27 V57 L75 L78T20-L24 HydrophobicContact CG2-CD1 4.42Å; T20-L24 WeakPolarHBondContact O-CG 3.5Å; T20-L24 PolarHBondContact O-N 3.23Å; R21-L24 WeakPolarHBondContact O-CB 3.37Å; R21-L24 PolarHBondContact O-N 3.34Å; L24-N26 VanDerWaalsContact C-N 3.31Å; L24-N26 PolarHBondContact O-N 3.35Å; L24-K27 PolarHBondContact O-N 3.12Å; L24-V57 HydrophobicContact CD1-CG1 3.61Å; L24-L75 HydrophobicContact CD1-CD1 4.24Å; L24-L75 HydrophobicContact CD2-CB 4.01Å; L24-L75 HydrophobicContact CD2-CD1 4.15Å; L24-L75 HydrophobicContact CG-CD1 4.42Å; L24-L78 HydrophobicContact CD2-CD1 3.66Å; L24-L78 HydrophobicContact CG-CD1 3.94Å
25D81.5Confident84Confident135 Ų13553.3 Ų53.372%0.72228%0.283SS*.Hα-helixtrans-61.4-41179.3-67.5-24.1000111.9R21R21-D25 PolarHBondContact O-N 3.02Å
26N78.6Confident83.9Confident99 Ų9950.7 Ų50.753%0.52927%0.266SS..THydrogen-bonded Turntrans-89.9-3.7-178.3-66.6-55.2000113.9S22 L24 T28S22-N26 WeakPolarHBondContact O-CB 3.46Å; S22-N26 PolarHBondContact O-N 2.98Å; S22-N26 VanDerWaalsContact O-N 3.16Å; S22-N26 PolarHBondContact O-ND2 3.11Å; S22-N26 PolarHBondContact OG-ND2 3.05Å; L24-N26 VanDerWaalsContact C-N 3.31Å; L24-N26 PolarHBondContact O-N 3.35Å; N26-T28 WeakPolarHBondContact O-CG2 3.34Å; N26-T28 PolarHBondContact O-N 2.81Å; N26-T28 VanDerWaalsContact O-N 3.14Å
27K77.6Confident83.6Confident164 Ų16456 Ų5671%0.71329%0.294SS*.THydrogen-bonded Turntrans46.937.9-173.6-59.8-174.9177.4-173.80114A23 L24A23-K27 VanDerWaalsContact O-CA 3.31Å; A23-K27 WeakPolarHBondContact O-CA 3.24Å; A23-K27 PolarHBondContact O-N 2.94Å; L24-K27 PolarHBondContact O-N 3.12Å
28T80.4Confident83.5Confident56 Ų5663 Ų6334%0.34433%0.327SS..  trans-138.4143.5-178.953.70000111.7A23 N26 K30 P31A23-T28 WeakPolarHBondContact CA-O 3.4Å; A23-T28 VanDerWaalsContact CB-O 3.29Å; A23-T28 WeakPolarHBondContact CB-O 3.29Å; A23-T28 PolarHBondContact O-N 3.22Å; A23-T28 VanDerWaalsContact O-N 3.17Å; N26-T28 WeakPolarHBondContact O-CG2 3.34Å; N26-T28 PolarHBondContact O-N 2.81Å; N26-T28 VanDerWaalsContact O-N 3.14Å; T28-K30 VanDerWaalsContact C-N 3.3Å; T28-K30 PolarHBondContact O-N 3.35Å; T28-P31 WeakPolarHBondContact O-CD 3.16Å
29S80.9Confident83.2Confident20 Ų2061.5 Ų61.514%0.1431%0.31CS..SBendtrans-77.7-10178.257.90000114.1L32 I33S29-L32 VanDerWaalsContact O-CB 3.22Å; S29-L32 WeakPolarHBondContact O-CB 3.48Å; S29-L32 PolarHBondContact O-N 2.97Å; S29-L32 VanDerWaalsContact O-N 3.08Å; S29-I33 WeakPolarHBondContact O-CG1 3.37Å; S29-I33 PolarHBondContact O-N 3.42Å
30K83.6Confident82.6Confident149 Ų14965 Ų6565%0.64833%0.331SS*.Hα-helixtrans-55.7-44.8-176.8-64.9180-179.9175.30114.5T28 L32 I33 N34T28-K30 VanDerWaalsContact C-N 3.3Å; T28-K30 PolarHBondContact O-N 3.35Å; K30-L32 PolarHBondContact O-N 3.27Å; K30-I33 PolarHBondContact O-N 3.18Å; K30-N34 WeakPolarHBondContact O-CB 3.42Å; K30-N34 VanDerWaalsContact O-CG 3.26Å; K30-N34 PolarHBondContact O-N 3.06Å; K30-N34 PolarHBondContact O-ND2 3.09Å
31P83.1Confident82.2Confident29 Ų2966.7 Ų66.719%0.18835%0.349CS..Hα-helixtrans-60.6-35.9177.4-22.235.2000112.2A23 T28 A35A23-P31 HydrophobicContact CB-CB 4.43Å; A23-P31 HydrophobicContact CB-CG 4.36Å; T28-P31 WeakPolarHBondContact O-CD 3.16Å; P31-A35 WeakPolarHBondContact O-CB 3.44Å; P31-A35 PolarHBondContact O-N 3.13Å
32L83Confident82.1Confident1 Ų165.4 Ų65.41%0.00535%0.35CS..Hα-helixtrans-69.6-44.7-179.5-136.6123.6000111.3A23 S29 K30 A35 F36 L50 I87A23-L32 HydrophobicContact CB-CD1 3.99Å; S29-L32 VanDerWaalsContact O-CB 3.22Å; S29-L32 WeakPolarHBondContact O-CB 3.48Å; S29-L32 PolarHBondContact O-N 2.97Å; S29-L32 VanDerWaalsContact O-N 3.08Å; K30-L32 PolarHBondContact O-N 3.27Å; L32-A35 PolarHBondContact O-N 3.38Å; L32-F36 WeakPolarHBondContact O-CB 3.3Å; L32-F36 PolarHBondContact O-N 3.12Å; L32-L50 HydrophobicContact CD2-CD1 3.66Å; L32-L50 HydrophobicContact CD2-CD2 3.6Å; L32-L50 HydrophobicContact CD2-CG 4.1Å; L32-L50 HydrophobicContact CG-CD1 4.13Å; L32-I87 HydrophobicContact CB-CD1 4.35Å; L32-I87 HydrophobicContact CD2-CD1 3.55Å
33I84.4Confident82Confident34 Ų3468.9 Ų68.917%0.17436%0.362CS..Hα-helixtrans-62.2-45.1175.3-62.6163.7000110.7S29 K30 A35 F36 N37 E85 I87S29-I33 WeakPolarHBondContact O-CG1 3.37Å; S29-I33 PolarHBondContact O-N 3.42Å; K30-I33 PolarHBondContact O-N 3.18Å; I33-A35 PolarHBondContact O-N 2.85Å; I33-F36 PolarHBondContact O-N 3.24Å; I33-N37 PolarHBondContact O-N 3.11Å; I33-N37 PolarHBondContact O-ND2 3.38Å; I33-E85 HydrophobicContact CD1-CB 4.44Å; I33-E85 HydrophobicContact CD1-CG 3.98Å; I33-I87 HydrophobicContact CG1-CD1 3.85Å
34N84.7Confident82Confident94 Ų9473.2 Ų73.250%0.50339%0.388SS..Hα-helixtrans-61.9-44.7179.1-72.6-18.5000111.6K30 F36 N37 Q38K30-N34 WeakPolarHBondContact O-CB 3.42Å; K30-N34 VanDerWaalsContact O-CG 3.26Å; K30-N34 PolarHBondContact O-N 3.06Å; K30-N34 PolarHBondContact O-ND2 3.09Å; N34-F36 PolarHBondContact O-N 3.48Å; N34-N37 PolarHBondContact O-N 2.85Å; N34-Q38 VanDerWaalsContact O-CG 3.27Å; N34-Q38 WeakPolarHBondContact O-CG 3.19Å; N34-Q38 PolarHBondContact O-N 3.26Å; N34-Q38 VanDerWaalsContact O-N 3.08Å
35A83Confident82.1Confident7 Ų776.2 Ų76.26%0.05840%0.402CS..Hα-helixtrans-62.5-41.517600000112.1F16 A19 P31 L32 I33 N37 Q38 I39F16-A35 HydrophobicContact CD1-CB 4.15Å; F16-A35 HydrophobicContact CE1-CB 4.24Å; A19-A35 HydrophobicContact CB-CB 3.73Å; P31-A35 WeakPolarHBondContact O-CB 3.44Å; P31-A35 PolarHBondContact O-N 3.13Å; L32-A35 PolarHBondContact O-N 3.38Å; I33-A35 PolarHBondContact O-N 2.85Å; A35-N37 VanDerWaalsContact C-N 3.32Å; A35-N37 PolarHBondContact O-N 3.17Å; A35-Q38 PolarHBondContact O-N 2.93Å; A35-I39 WeakPolarHBondContact O-CG1 3.44Å; A35-I39 PolarHBondContact O-N 3.17Å; A35-I39 VanDerWaalsContact O-N 3.16Å
36F85Confident82.4Confident12 Ų1270.9 Ų70.95%0.05337%0.372CS..Hα-helixtrans-62.9-37.8179.4-170.5-89.2000113.1F16 L32 I33 N34 K46 K47 L50 I87F16-F36 HydrophobicContact CE1-CB 4.08Å; F16-F36 HydrophobicContact CE1-CD2 4.18Å; F16-F36 AromaticContact CZ-CD2 3.97Å; F16-F36 HydrophobicContact CZ-CD2 3.97Å; L32-F36 WeakPolarHBondContact O-CB 3.3Å; L32-F36 PolarHBondContact O-N 3.12Å; I33-F36 PolarHBondContact O-N 3.24Å; N34-F36 PolarHBondContact O-N 3.48Å; F36-K46 HydrophobicContact CD2-CB 4.08Å; F36-K46 HydrophobicContact CE1-CD 4.28Å; F36-K46 HydrophobicContact CE2-CB 3.42Å; F36-K46 VanDerWaalsContact CE2-CB 3.42Å; F36-K46 HydrophobicContact CE2-CD 4.26Å; F36-K46 HydrophobicContact CZ-CB 3.79Å; F36-K46 HydrophobicContact CZ-CD 4.06Å; F36-K46 PolarHBondContact O-NZ 3.16Å; F36-K46 VanDerWaalsContact O-NZ 3.08Å; F36-K47 HydrophobicContact CE2-CG 4.13Å; F36-K47 HydrophobicContact CZ-CG 4.16Å; F36-L50 HydrophobicContact CD2-CD2 4.18Å; F36-I87 HydrophobicContact CB-CG2 4.22Å; F36-I87 HydrophobicContact CD1-CB 4.29Å; F36-I87 HydrophobicContact CD1-CG2 3.74Å; F36-I87 HydrophobicContact CD2-CB 4.07Å; F36-I87 HydrophobicContact CD2-CG2 4.39Å; F36-I87 HydrophobicContact CE1-CG2 4.18Å; F36-I87 HydrophobicContact CE2-CB 4.32Å; F36-I87 WeakPolarHBondContact CE2-O 3.41Å; F36-I87 HydrophobicContact CG-CB 4.05Å; F36-I87 HydrophobicContact CG-CG2 3.86Å
37N84.5Confident82.8Confident112 Ų11268.7 Ų68.760%0.59936%0.357SS*.Hα-helixtrans-74.8-32.3177.9-70.7-26.7000112.9I33 N34 A35I33-N37 PolarHBondContact O-N 3.11Å; I33-N37 PolarHBondContact O-ND2 3.38Å; N34-N37 PolarHBondContact O-N 2.85Å; A35-N37 VanDerWaalsContact C-N 3.32Å; A35-N37 PolarHBondContact O-N 3.17Å
38Q84.3Confident83.3Confident152 Ų15263.8 Ų63.871%0.7134%0.342SS*.Hα-helixtrans-76.3-33.4-179.2-75.2176.94.900113.5N34 A35N34-Q38 VanDerWaalsContact O-CG 3.27Å; N34-Q38 WeakPolarHBondContact O-CG 3.19Å; N34-Q38 PolarHBondContact O-N 3.26Å; N34-Q38 VanDerWaalsContact O-N 3.08Å; A35-Q38 PolarHBondContact O-N 2.93Å
39I82.6Confident83.7Confident25 Ų2561.1 Ų61.113%0.12833%0.325CS..SBendtrans-69.7138.8179.7-68.8163.9000109.2F7 A12 T15 F16 A35 K46F7-I39 HydrophobicContact CD2-CG2 4.44Å; F7-I39 HydrophobicContact CE2-CG2 3.72Å; A12-I39 HydrophobicContact CB-CD1 4.26Å; A12-I39 HydrophobicContact CB-CG2 4.25Å; T15-I39 HydrophobicContact CG2-CD1 4.22Å; F16-I39 HydrophobicContact CD1-CD1 4.05Å; F16-I39 HydrophobicContact CD2-CD1 4.02Å; F16-I39 HydrophobicContact CE1-CD1 3.63Å; F16-I39 HydrophobicContact CE2-CD1 3.58Å; F16-I39 HydrophobicContact CG-CD1 4.24Å; F16-I39 HydrophobicContact CZ-CD1 3.37Å; A35-I39 WeakPolarHBondContact O-CG1 3.44Å; A35-I39 PolarHBondContact O-N 3.17Å; A35-I39 VanDerWaalsContact O-N 3.16Å; I39-K46 HydrophobicContact CG2-CG 4.49Å; I39-K46 WeakPolarHBondContact O-CE 3.28Å; I39-K46 PolarHBondContact O-NZ 2.81Å
40T74.5Confident84.1Confident85 Ų8560.2 Ų60.252%0.52132%0.319SS..  trans-96.2138.1175.253.90000109.3F7F7-T40 WeakPolarHBondContact CD2-O 3.48Å
41G77.9Confident84.4Confident37 Ų3753.9 Ų53.938%0.38129%0.292SS..SBendtrans153.8173.7-177.600000113.3K46G41-K46 WeakPolarHBondContact O-CE 3.45Å
42N83.8Confident84.8Confident91 Ų9156.8 Ų56.849%0.48730%0.303SS..  trans-67.8139.8174.9-173.916.8000110.5T44 E45 K46N42-T44 VanDerWaalsContact C-N 3.25Å; N42-T44 PolarHBondContact O-N 3.23Å; N42-E45 HydrophobicContact CB-CB 4.39Å; N42-E45 HydrophobicContact CB-CG 4.13Å; N42-E45 WeakPolarHBondContact CB-OE2 3.42Å; N42-E45 PolarHBondContact O-N 2.79Å; N42-E45 VanDerWaalsContact O-N 3.1Å; N42-K46 WeakPolarHBondContact O-CG 3.32Å; N42-K46 PolarHBondContact O-N 3.34Å
43E82.2Confident85.1Confident122 Ų12256.8 Ų56.857%0.5730%0.303SS*.Hα-helixtrans-58.2-37.3-177.6-74.5-171.6172.800112.6E45 K46 K47E43-E45 VanDerWaalsContact C-N 3.35Å; E43-E45 PolarHBondContact O-N 3.05Å; E43-K46 PolarHBondContact O-N 3.47Å; E43-K47 WeakPolarHBondContact O-CB 3.26Å; E43-K47 VanDerWaalsContact O-CG 3.25Å; E43-K47 WeakPolarHBondContact O-CG 3.26Å; E43-K47 PolarHBondContact O-N 3.24Å
44T84.4Confident85.4Confident90 Ų9055.1 Ų55.155%0.55230%0.295SS*.Hα-helixtrans-65.6-37.7178.8-47.50000112.3N42 T48N42-T44 VanDerWaalsContact C-N 3.25Å; N42-T44 PolarHBondContact O-N 3.23Å; T44-T48 WeakPolarHBondContact O-CG2 3.29Å; T44-T48 PolarHBondContact O-N 3.48Å; T44-T48 PolarHBondContact O-OG1 2.85Å
45E85Confident85.7Confident87 Ų8755 Ų5541%0.40729%0.287SS..Hα-helixtrans-71.7-38.3178.8-66.8172.8160.400110.7F7 N42 E43 T48 T49F7-E45 HydrophobicContact CD1-CB 4.14Å; F7-E45 HydrophobicContact CE1-CB 4.12Å; F7-E45 HydrophobicContact CG-CB 4.49Å; F7-E45 HydrophobicContact CZ-CB 4.47Å; N42-E45 HydrophobicContact CB-CB 4.39Å; N42-E45 HydrophobicContact CB-CG 4.13Å; N42-E45 WeakPolarHBondContact CB-OE2 3.42Å; N42-E45 PolarHBondContact O-N 2.79Å; N42-E45 VanDerWaalsContact O-N 3.1Å; E43-E45 VanDerWaalsContact C-N 3.35Å; E43-E45 PolarHBondContact O-N 3.05Å; E45-T48 WeakPolarHBondContact CA-OG1 3.34Å; E45-T48 PolarHBondContact O-OG1 3.06Å; E45-T48 VanDerWaalsContact O-OG1 3.1Å; E45-T49 WeakPolarHBondContact O-CB 3.47Å; E45-T49 PolarHBondContact O-N 3.06Å; E45-T49 PolarHBondContact O-OG1 3.47Å
46K86.3Confident86.1Confident22 Ų2256.9 Ų56.910%0.09630%0.295CS..Hα-helixtrans-64-44.5172.8-66178.1175.9-166.30112.4F7 F36 I39 G41 N42 E43 T49 L50F7-K46 HydrophobicContact CE2-CG 4.12Å; F36-K46 HydrophobicContact CD2-CB 4.08Å; F36-K46 HydrophobicContact CE1-CD 4.28Å; F36-K46 HydrophobicContact CE2-CB 3.42Å; F36-K46 VanDerWaalsContact CE2-CB 3.42Å; F36-K46 HydrophobicContact CE2-CD 4.26Å; F36-K46 HydrophobicContact CZ-CB 3.79Å; F36-K46 HydrophobicContact CZ-CD 4.06Å; F36-K46 PolarHBondContact O-NZ 3.16Å; F36-K46 VanDerWaalsContact O-NZ 3.08Å; I39-K46 HydrophobicContact CG2-CG 4.49Å; I39-K46 WeakPolarHBondContact O-CE 3.28Å; I39-K46 PolarHBondContact O-NZ 2.81Å; G41-K46 WeakPolarHBondContact O-CE 3.45Å; N42-K46 WeakPolarHBondContact O-CG 3.32Å; N42-K46 PolarHBondContact O-N 3.34Å; E43-K46 PolarHBondContact O-N 3.47Å; K46-T49 VanDerWaalsContact CA-OG1 3.25Å; K46-T49 WeakPolarHBondContact CA-OG1 3.3Å; K46-T49 PolarHBondContact O-N 2.77Å; K46-T49 PolarHBondContact O-OG1 3.48Å; K46-L50 VanDerWaalsContact O-CB 3.3Å; K46-L50 WeakPolarHBondContact O-CB 3.33Å; K46-L50 PolarHBondContact O-N 2.96Å
47K87.8Confident86.3Confident53 Ų5356.5 Ų56.523%0.2329%0.293CS..Hα-helixtrans-60.9-48.3177.5-76.4176.8-179.9-167.70111.2F36 E43 L50 D51 G86 I87F36-K47 HydrophobicContact CE2-CG 4.13Å; F36-K47 HydrophobicContact CZ-CG 4.16Å; E43-K47 WeakPolarHBondContact O-CB 3.26Å; E43-K47 VanDerWaalsContact O-CG 3.25Å; E43-K47 WeakPolarHBondContact O-CG 3.26Å; E43-K47 PolarHBondContact O-N 3.24Å; K47-L50 PolarHBondContact O-N 3.41Å; K47-D51 WeakPolarHBondContact O-CB 3.45Å; K47-D51 PolarHBondContact O-N 2.87Å; K47-G86 WeakPolarHBondContact CE-O 3.2Å; K47-G86 PolarHBondContact NZ-O 2.77Å; K47-I87 WeakPolarHBondContact CG-O 3.42Å
48T88.1Confident86.5Confident62 Ų6251.3 Ų51.338%0.3827%0.265SS..Hα-helixtrans-68.5-35.9-179.447.60000113.2T44 E45 Q52T44-T48 WeakPolarHBondContact O-CG2 3.29Å; T44-T48 PolarHBondContact O-N 3.48Å; T44-T48 PolarHBondContact O-OG1 2.85Å; E45-T48 WeakPolarHBondContact CA-OG1 3.34Å; E45-T48 PolarHBondContact O-OG1 3.06Å; E45-T48 VanDerWaalsContact O-OG1 3.1Å; T48-Q52 WeakPolarHBondContact O-CG 3.41Å; T48-Q52 PolarHBondContact O-N 3.14Å; T48-Q52 VanDerWaalsContact O-N 3.12Å
49T89.4Confident86.8Confident0 Ų050.1 Ų50.10%026%0.26CS..Hα-helixtrans-64.5-43.517134.80000112.2F7 F9 F16 E45 K46 Q52 A53F7-T49 HydrophobicContact CE1-CG2 3.52Å; F7-T49 HydrophobicContact CZ-CG2 3.7Å; F9-T49 HydrophobicContact CD1-CG2 4.47Å; F9-T49 HydrophobicContact CD2-CG2 3.22Å; F9-T49 HydrophobicContact CE1-CG2 4.39Å; F9-T49 HydrophobicContact CE2-CG2 3.12Å; F9-T49 HydrophobicContact CG-CG2 3.92Å; F9-T49 HydrophobicContact CZ-CG2 3.73Å; F16-T49 WeakPolarHBondContact CE2-OG1 3.47Å; E45-T49 WeakPolarHBondContact O-CB 3.47Å; E45-T49 PolarHBondContact O-N 3.06Å; E45-T49 PolarHBondContact O-OG1 3.47Å; K46-T49 VanDerWaalsContact CA-OG1 3.25Å; K46-T49 WeakPolarHBondContact CA-OG1 3.3Å; K46-T49 PolarHBondContact O-N 2.77Å; K46-T49 PolarHBondContact O-OG1 3.48Å; T49-Q52 PolarHBondContact O-N 2.86Å; T49-A53 PolarHBondContact O-N 3.47Å
50L89.1Confident87.1Confident0 Ų051.7 Ų51.70%027%0.267CS..Hα-helixtrans-63.8-43.1176.8-178.660.9000111.9F16 L32 F36 K46 K47 Q52 A53 L54 I87 C88F16-L50 HydrophobicContact CB-CD1 3.96Å; F16-L50 HydrophobicContact CD1-CD1 3.7Å; F16-L50 HydrophobicContact CD2-CB 4.33Å; F16-L50 HydrophobicContact CE1-CD1 4.27Å; F16-L50 HydrophobicContact CE2-CB 4.39Å; F16-L50 HydrophobicContact CG-CB 4.44Å; F16-L50 HydrophobicContact CG-CD1 3.86Å; L32-L50 HydrophobicContact CD2-CD1 3.66Å; L32-L50 HydrophobicContact CD2-CD2 3.6Å; L32-L50 HydrophobicContact CD2-CG 4.1Å; L32-L50 HydrophobicContact CG-CD1 4.13Å; F36-L50 HydrophobicContact CD2-CD2 4.18Å; K46-L50 VanDerWaalsContact O-CB 3.3Å; K46-L50 WeakPolarHBondContact O-CB 3.33Å; K46-L50 PolarHBondContact O-N 2.96Å; K47-L50 PolarHBondContact O-N 3.41Å; L50-Q52 PolarHBondContact O-N 3.08Å; L50-A53 PolarHBondContact O-N 3.46Å; L50-A53 VanDerWaalsContact O-N 3.12Å; L50-L54 HydrophobicContact CG-CD1 4.46Å; L50-L54 WeakPolarHBondContact O-CG 3.47Å; L50-L54 PolarHBondContact O-N 2.87Å; L50-I87 HydrophobicContact CD2-CB 4.4Å; L50-I87 HydrophobicContact CD2-CD1 4.44Å; L50-I87 HydrophobicContact CD2-CG1 4.41Å; L50-C88 WeakPolarHBondContact CD2-SG 3.19Å
51D89.8Confident87.6Confident17 Ų1749.3 Ų49.39%0.09125%0.25CC..Hα-helixtrans-58.2-38.5175.3-64.7-29.9000111.3K47 R55 S89 T92K47-D51 WeakPolarHBondContact O-CB 3.45Å; K47-D51 PolarHBondContact O-N 2.87Å; D51-R55 WeakPolarHBondContact O-CG 3.49Å; D51-R55 PolarHBondContact O-N 2.85Å; D51-S89 PolarHBondContact OD1-N 3.3Å; D51-S89 WeakPolarHBondContact OD2-CB 3.36Å; D51-S89 PolarHBondContact OD2-OG 3.04Å; D51-T92 HydrophobicContact CB-CG2 4.19Å; D51-T92 WeakPolarHBondContact OD1-CB 3.44Å; D51-T92 WeakPolarHBondContact OD1-CG2 3.29Å; D51-T92 PolarHBondContact OD1-OG1 3.47Å; D51-T92 PolarHBondContact OD2-OG1 3.49Å
52Q90.2Very high87.9Confident90 Ų9049.3 Ų49.342%0.42124%0.241SC..Hα-helixtrans-73.2-36.2174.7-72.1-167.718.300113.4F9 T48 T49 L50 R55 Q56F9-Q52 VanDerWaalsContact CZ-OE1 3.24Å; T48-Q52 WeakPolarHBondContact O-CG 3.41Å; T48-Q52 PolarHBondContact O-N 3.14Å; T48-Q52 VanDerWaalsContact O-N 3.12Å; T49-Q52 PolarHBondContact O-N 2.86Å; L50-Q52 PolarHBondContact O-N 3.08Å; Q52-R55 PolarHBondContact O-N 3Å; Q52-Q56 PolarHBondContact O-N 3.39Å
53A90.9Very high87.9Confident0 Ų050 Ų500%025%0.248CC..Hα-helixtrans-63.4-43.3175.300000111K13 F16 T49 L50 R55 Q56 V57K13-A53 HydrophobicContact CG-CB 4.44Å; F16-A53 HydrophobicContact CB-CB 3.67Å; T49-A53 PolarHBondContact O-N 3.47Å; L50-A53 PolarHBondContact O-N 3.46Å; L50-A53 VanDerWaalsContact O-N 3.12Å; A53-R55 VanDerWaalsContact C-N 3.35Å; A53-R55 PolarHBondContact O-N 2.89Å; A53-Q56 PolarHBondContact O-N 3.11Å; A53-V57 WeakPolarHBondContact O-CG2 3.47Å; A53-V57 PolarHBondContact O-N 3.29Å
54L90.1Very high87.8Confident0 Ų051 Ų510%025%0.253CS..Hα-helixtrans-59.3-43.6174.6-72.4169000112T20 L50 V57 L58 L75 T92 L96T20-L54 HydrophobicContact CG2-CD2 3.73Å; L50-L54 HydrophobicContact CG-CD1 4.46Å; L50-L54 WeakPolarHBondContact O-CG 3.47Å; L50-L54 PolarHBondContact O-N 2.87Å; L54-V57 PolarHBondContact O-N 2.99Å; L54-L58 PolarHBondContact O-N 3.33Å; L54-L75 HydrophobicContact CD2-CD1 3.8Å; L54-T92 HydrophobicContact CD1-CG2 4.01Å; L54-L96 HydrophobicContact CB-CD1 4.22Å
55R91.4Very high86.8Confident90 Ų9056 Ų5634%0.3427%0.267SS..Hα-helixtrans-65.9-38.4175.8-73.8-178.2-168.4-134.317113.3D51 Q52 A53 L58 E59 L96 D99D51-R55 WeakPolarHBondContact O-CG 3.49Å; D51-R55 PolarHBondContact O-N 2.85Å; Q52-R55 PolarHBondContact O-N 3Å; A53-R55 VanDerWaalsContact C-N 3.35Å; A53-R55 PolarHBondContact O-N 2.89Å; R55-L58 WeakPolarHBondContact O-CB 3.17Å; R55-L58 PolarHBondContact O-N 3.05Å; R55-E59 WeakPolarHBondContact O-CB 3.36Å; R55-E59 PolarHBondContact O-N 3Å; R55-L96 HydrophobicContact CB-CD2 4.31Å; R55-L96 HydrophobicContact CG-CD2 3.58Å; R55-D99 IonicContact NH1-OD2 2.89Å; R55-D99 PolarHBondContact NH1-OD2 3.24Å
56Q90.9Very high85.4Confident47 Ų4760.9 Ų60.922%0.2229%0.286CS..Hα-helixtrans-64-44.3176.8177.9176.7-22.800111Q52 A53 L58 E59 E60Q52-Q56 PolarHBondContact O-N 3.39Å; A53-Q56 PolarHBondContact O-N 3.11Å; Q56-L58 VanDerWaalsContact C-N 3.28Å; Q56-L58 PolarHBondContact O-N 3.28Å; Q56-E59 PolarHBondContact O-N 2.95Å; Q56-E60 PolarHBondContact NE2-OE1 3.27Å; Q56-E60 WeakPolarHBondContact O-CG 3.48Å; Q56-E60 PolarHBondContact O-N 3.44Å
57V89.1Confident84.2Confident4 Ų460.8 Ų60.82%0.02429%0.29CS..Hα-helixtrans-62.1-39.7176174.80000110.8T17 T20 L24 A53 L54 E60 Q61T17-V57 HydrophobicContact CG2-CG2 3.82Å; T20-V57 HydrophobicContact CG2-CB 4.16Å; T20-V57 HydrophobicContact CG2-CG1 4.18Å; T20-V57 HydrophobicContact CG2-CG2 3.88Å; L24-V57 HydrophobicContact CD1-CG1 3.61Å; A53-V57 WeakPolarHBondContact O-CG2 3.47Å; A53-V57 PolarHBondContact O-N 3.29Å; L54-V57 PolarHBondContact O-N 2.99Å; V57-E60 PolarHBondContact O-N 3.14Å; V57-Q61 WeakPolarHBondContact O-CG 3.43Å; V57-Q61 PolarHBondContact O-N 3.06Å
58L89.4Confident83.5Confident3 Ų363.9 Ų63.92%0.01631%0.308CS..Hα-helixtrans-60.8-47.8173.817862.7000112L54 R55 Q56 E60 Q61 I62 F72 L75 L96 D99 I100L54-L58 PolarHBondContact O-N 3.33Å; R55-L58 WeakPolarHBondContact O-CB 3.17Å; R55-L58 PolarHBondContact O-N 3.05Å; Q56-L58 VanDerWaalsContact C-N 3.28Å; Q56-L58 PolarHBondContact O-N 3.28Å; L58-E60 VanDerWaalsContact C-N 3.35Å; L58-E60 PolarHBondContact O-N 3.11Å; L58-Q61 PolarHBondContact O-N 3.31Å; L58-I62 HydrophobicContact CD1-CD1 3.95Å; L58-I62 HydrophobicContact CD1-CG1 4.19Å; L58-I62 HydrophobicContact CD2-CD1 4.41Å; L58-I62 HydrophobicContact CG-CD1 3.83Å; L58-I62 HydrophobicContact CG-CG1 4.44Å; L58-I62 WeakPolarHBondContact O-CG1 3.5Å; L58-I62 PolarHBondContact O-N 3.03Å; L58-F72 HydrophobicContact CD1-CD1 3.69Å; L58-F72 HydrophobicContact CD1-CE1 4.12Å; L58-L75 HydrophobicContact CB-CD2 3.65Å; L58-L75 HydrophobicContact CD1-CD2 4.05Å; L58-L75 HydrophobicContact CG-CD2 4.41Å; L58-L96 HydrophobicContact CB-CD2 4.25Å; L58-L96 HydrophobicContact CD2-CB 4.19Å; L58-L96 HydrophobicContact CD2-CD2 3.63Å; L58-D99 HydrophobicContact CD2-CB 4.15Å; L58-I100 HydrophobicContact CD1-CD1 3.88Å; L58-I100 HydrophobicContact CD1-CG1 3.51Å; L58-I100 HydrophobicContact CD2-CD1 4.33Å; L58-I100 HydrophobicContact CD2-CG1 3.84Å; L58-I100 HydrophobicContact CG-CG1 4.26Å
59E90.4Very high82.9Confident128 Ų12861.9 Ų61.960%0.59830%0.296SS*.Hα-helixtrans-58.6-46.4179-177.3-179.3-176.700111.2R55 Q56 Q61 I62 V63R55-E59 WeakPolarHBondContact O-CB 3.36Å; R55-E59 PolarHBondContact O-N 3Å; Q56-E59 PolarHBondContact O-N 2.95Å; E59-Q61 VanDerWaalsContact C-N 3.34Å; E59-Q61 PolarHBondContact O-N 3.27Å; E59-I62 PolarHBondContact O-N 3.38Å; E59-V63 HydrophobicContact CG-CG2 4.43Å; E59-V63 WeakPolarHBondContact O-CB 3.38Å; E59-V63 VanDerWaalsContact O-CG2 3.27Å; E59-V63 WeakPolarHBondContact O-CG2 3.4Å; E59-V63 PolarHBondContact O-N 3.02Å
60E87.9Confident82.5Confident58 Ų5866.9 Ų66.927%0.27132%0.323SS..Hα-helixtrans-57.6-45.4175.7-70.9171-174.500111.3R21 Q56 V57 L58 I62 V63 E64R21-E60 IonicContact CZ-OE2 3.15Å; R21-E60 IonicContact NE-OE2 3.41Å; R21-E60 IonicContact NH2-OE1 2.64Å; R21-E60 PolarHBondContact NH2-OE1 3.39Å; R21-E60 IonicContact NH2-OE2 2.58Å; R21-E60 PolarHBondContact NH2-OE2 3.42Å; Q56-E60 PolarHBondContact NE2-OE1 3.27Å; Q56-E60 WeakPolarHBondContact O-CG 3.48Å; Q56-E60 PolarHBondContact O-N 3.44Å; V57-E60 PolarHBondContact O-N 3.14Å; L58-E60 VanDerWaalsContact C-N 3.35Å; L58-E60 PolarHBondContact O-N 3.11Å; E60-I62 PolarHBondContact O-N 3.11Å; E60-V63 PolarHBondContact O-N 3.47Å; E60-E64 WeakPolarHBondContact O-CB 3.42Å; E60-E64 WeakPolarHBondContact O-CG 3.27Å; E60-E64 PolarHBondContact O-N 3.48Å
61Q84.4Confident82.1Confident35 Ų3570 Ų7016%0.16434%0.34CS..Hα-helixtrans-64.8-38.6177.8-74.9-170.3-11.500113.5V57 L58 E59 A67 F72V57-Q61 WeakPolarHBondContact O-CG 3.43Å; V57-Q61 PolarHBondContact O-N 3.06Å; L58-Q61 PolarHBondContact O-N 3.31Å; E59-Q61 VanDerWaalsContact C-N 3.34Å; E59-Q61 PolarHBondContact O-N 3.27Å; Q61-A67 HydrophobicContact CB-CB 4.11Å; Q61-F72 HydrophobicContact CB-CD1 4.45Å; Q61-F72 HydrophobicContact CB-CE1 3.81Å
62I84.8Confident81.9Confident37 Ų3769.5 Ų69.519%0.1934%0.337CS..Hα-helixtrans-66.8-44.3176.8-68.4171000110.2L58 E59 E60 K65 F72 C103L58-I62 HydrophobicContact CD1-CD1 3.95Å; L58-I62 HydrophobicContact CD1-CG1 4.19Å; L58-I62 HydrophobicContact CD2-CD1 4.41Å; L58-I62 HydrophobicContact CG-CD1 3.83Å; L58-I62 HydrophobicContact CG-CG1 4.44Å; L58-I62 WeakPolarHBondContact O-CG1 3.5Å; L58-I62 PolarHBondContact O-N 3.03Å; E59-I62 PolarHBondContact O-N 3.38Å; E60-I62 PolarHBondContact O-N 3.11Å; I62-K65 PolarHBondContact O-N 3.05Å; I62-F72 HydrophobicContact CG1-CE1 3.66Å; I62-F72 HydrophobicContact CG1-CZ 4.04Å; I62-C103 HydrophobicContact CD1-CB 4.05Å; I62-C103 HydrophobicContact CG2-CB 3.99Å
63V84.8Confident81.7Confident105 Ų10566.4 Ų66.464%0.63632%0.323SS*.Hα-helixtrans-68.9-38.1-177.4172.20000111.9E59 E60 K65E59-V63 HydrophobicContact CG-CG2 4.43Å; E59-V63 WeakPolarHBondContact O-CB 3.38Å; E59-V63 VanDerWaalsContact O-CG2 3.27Å; E59-V63 WeakPolarHBondContact O-CG2 3.4Å; E59-V63 PolarHBondContact O-N 3.02Å; E60-V63 PolarHBondContact O-N 3.47Å; V63-K65 PolarHBondContact O-N 2.85Å; V63-K65 VanDerWaalsContact O-N 3.14Å
64E79.3Confident81.4Confident143 Ų14367.8 Ų67.867%0.66833%0.332SS*.THydrogen-bonded Turntrans-67.7-10.5179.5-75.8-173171.300113.6E60 K66E60-E64 WeakPolarHBondContact O-CB 3.42Å; E60-E64 WeakPolarHBondContact O-CG 3.27Å; E60-E64 PolarHBondContact O-N 3.48Å; E64-K66 PolarHBondContact O-N 3.14Å
65K62.8Low81.3Confident196 Ų19667.8 Ų67.885%0.85233%0.332SS*.SBendtrans52.58.4174.8-71.6-174.7179.1-177.80116I62 V63I62-K65 PolarHBondContact O-N 3.05Å; V63-K65 PolarHBondContact O-N 2.85Å; V63-K65 VanDerWaalsContact O-N 3.14Å
66K56.6Low81.2Confident188 Ų18863.5 Ų63.582%0.81732%0.316SS*.  trans-103.4-10.3179.6-81.7-175.2176.7178.60113.6E64 L68E64-K66 PolarHBondContact O-N 3.14Å; K66-L68 PolarHBondContact O-N 3.28Å
67A61.9Low81.1Confident20 Ų2066 Ų6617%0.16532%0.324CS..  trans-67.7127.8-178.900000110.4Q61 D71 F72Q61-A67 HydrophobicContact CB-CB 4.11Å; A67-D71 HydrophobicContact CB-CB 4.3Å; A67-F72 HydrophobicContact CB-CE1 3.92Å; A67-F72 HydrophobicContact CB-CE2 4Å; A67-F72 HydrophobicContact CB-CZ 3.56Å
68L71.4Confident81Confident118 Ų11866.1 Ų66.162%0.61833%0.325SS*.  trans-73.4158.3169.9-69.7169.7000108.6K66 D70 D71K66-L68 PolarHBondContact O-N 3.28Å; L68-D70 PolarHBondContact O-N 3.46Å; L68-D70 VanDerWaalsContact O-N 3.07Å; L68-D71 PolarHBondContact N-OD2 3.23Å; L68-D71 WeakPolarHBondContact O-CB 3.4Å; L68-D71 PolarHBondContact O-N 3.36Å
69V76.3Confident81Confident20 Ų2066 Ų6612%0.12132%0.324CS..Hα-helixtrans-51.6-35.5175.4173.90000111D71 F72 L73 Q108 K111 I112V69-D71 VanDerWaalsContact C-N 3.3Å; V69-D71 PolarHBondContact O-N 2.97Å; V69-F72 PolarHBondContact O-N 3.31Å; V69-L73 HydrophobicContact CG1-CD1 4.12Å; V69-L73 HydrophobicContact CG1-CG 4.24Å; V69-L73 WeakPolarHBondContact O-CG 3.48Å; V69-L73 PolarHBondContact O-N 3.31Å; V69-L73 VanDerWaalsContact O-N 3.08Å; V69-Q108 HydrophobicContact CG2-CB 4.28Å; V69-Q108 HydrophobicContact CG2-CG 4.25Å; V69-K111 HydrophobicContact CG1-CB 4.29Å; V69-K111 HydrophobicContact CG2-CD 4.45Å; V69-I112 HydrophobicContact CG1-CD1 4.36Å; V69-I112 HydrophobicContact CG1-CG1 3.65Å
70D80.5Confident80.9Confident105 Ų10560.4 Ų60.456%0.56130%0.298SS*.Hα-helixtrans-63.5-30.1-179.8-60-20.5000113.8L68 L73 S74L68-D70 PolarHBondContact O-N 3.46Å; L68-D70 VanDerWaalsContact O-N 3.07Å; D70-L73 PolarHBondContact O-N 3.37Å; D70-S74 WeakPolarHBondContact O-CB 3.5Å; D70-S74 PolarHBondContact O-N 3.07Å; D70-S74 PolarHBondContact O-OG 3.07Å
71D82.1Confident80.8Confident67 Ų6760.9 Ų60.936%0.35830%0.302SS..Hα-helixtrans-71.5-42.4178.9-61.3-37.8000110.3A67 L68 V69 S74 L75A67-D71 HydrophobicContact CB-CB 4.3Å; L68-D71 PolarHBondContact N-OD2 3.23Å; L68-D71 WeakPolarHBondContact O-CB 3.4Å; L68-D71 PolarHBondContact O-N 3.36Å; V69-D71 VanDerWaalsContact C-N 3.3Å; V69-D71 PolarHBondContact O-N 2.97Å; D71-S74 PolarHBondContact O-N 3.17Å; D71-L75 PolarHBondContact O-N 3.37Å; D71-L75 VanDerWaalsContact O-N 3.12Å
72F83.9Confident80.8Confident6 Ų659.2 Ų59.23%0.02630%0.295CS..Hα-helixtrans-62.2-43.9173.5-59.8-54.4000111.3L58 Q61 I62 A67 V69 S74 L75 I76 I100 L104L58-F72 HydrophobicContact CD1-CD1 3.69Å; L58-F72 HydrophobicContact CD1-CE1 4.12Å; Q61-F72 HydrophobicContact CB-CD1 4.45Å; Q61-F72 HydrophobicContact CB-CE1 3.81Å; I62-F72 HydrophobicContact CG1-CE1 3.66Å; I62-F72 HydrophobicContact CG1-CZ 4.04Å; A67-F72 HydrophobicContact CB-CE1 3.92Å; A67-F72 HydrophobicContact CB-CE2 4Å; A67-F72 HydrophobicContact CB-CZ 3.56Å; V69-F72 PolarHBondContact O-N 3.31Å; F72-S74 VanDerWaalsContact C-N 3.33Å; F72-S74 PolarHBondContact O-N 3.36Å; F72-L75 PolarHBondContact O-N 3.15Å; F72-I76 WeakPolarHBondContact O-CG1 3.21Å; F72-I76 PolarHBondContact O-N 2.78Å; F72-I76 VanDerWaalsContact O-N 3.07Å; F72-I100 HydrophobicContact CB-CD1 4.1Å; F72-L104 HydrophobicContact CD2-CD1 4.27Å; F72-L104 HydrophobicContact CE2-CD1 4.23Å; F72-L104 HydrophobicContact CE2-CD2 4.29Å
73L85.9Confident80.8Confident25 Ų2558.3 Ų58.313%0.13129%0.291CS..Hα-helixtrans-63.7-39.1177.7-65.9-176.9000112V69 D70 L75 I76 Y77 I112 F115V69-L73 HydrophobicContact CG1-CD1 4.12Å; V69-L73 HydrophobicContact CG1-CG 4.24Å; V69-L73 WeakPolarHBondContact O-CG 3.48Å; V69-L73 PolarHBondContact O-N 3.31Å; V69-L73 VanDerWaalsContact O-N 3.08Å; D70-L73 PolarHBondContact O-N 3.37Å; L73-L75 VanDerWaalsContact C-N 3.31Å; L73-L75 PolarHBondContact O-N 3.2Å; L73-I76 PolarHBondContact O-N 3.06Å; L73-I76 VanDerWaalsContact O-N 3.16Å; L73-Y77 VanDerWaalsContact O-CD2 3.28Å; L73-Y77 WeakPolarHBondContact O-CD2 3.27Å; L73-Y77 PolarHBondContact O-N 3.34Å; L73-I112 HydrophobicContact CD2-CG1 4.5Å; L73-I112 HydrophobicContact CD2-CG2 4.39Å; L73-F115 HydrophobicContact CD1-CB 4.12Å; L73-F115 HydrophobicContact CD1-CD2 4.32Å; L73-F115 HydrophobicContact CD1-CG 4.36Å; L73-F115 HydrophobicContact CD2-CB 3.74Å; L73-F115 HydrophobicContact CD2-CD1 3.64Å; L73-F115 HydrophobicContact CD2-CD2 3.84Å; L73-F115 HydrophobicContact CD2-CE1 4.2Å; L73-F115 HydrophobicContact CD2-CE2 4.34Å; L73-F115 HydrophobicContact CD2-CG 3.46Å; L73-F115 VanDerWaalsContact CD2-CG 3.46Å; L73-F115 HydrophobicContact CG-CD2 4.49Å; L73-F115 HydrophobicContact CG-CG 4.45Å
74S86.3Confident80.8Confident28 Ų2857.5 Ų57.520%0.19629%0.286CS..Hα-helixtrans-61.4-39.9176.3-60.70000111.7D70 D71 F72 Y77 L78D70-S74 WeakPolarHBondContact O-CB 3.5Å; D70-S74 PolarHBondContact O-N 3.07Å; D70-S74 PolarHBondContact O-OG 3.07Å; D71-S74 PolarHBondContact O-N 3.17Å; F72-S74 VanDerWaalsContact C-N 3.33Å; F72-S74 PolarHBondContact O-N 3.36Å; S74-Y77 PolarHBondContact O-N 3.02Å; S74-L78 PolarHBondContact O-N 3.24Å
75L87.4Confident81.1Confident0 Ų056.5 Ų56.50%028%0.281CS..Hα-helixtrans-65.4-39.3174.3-173.464.1000112.2T20 L24 L54 L58 D71 F72 L73 L78 S79T20-L75 HydrophobicContact CG2-CD1 3.9Å; L24-L75 HydrophobicContact CD1-CD1 4.24Å; L24-L75 HydrophobicContact CD2-CB 4.01Å; L24-L75 HydrophobicContact CD2-CD1 4.15Å; L24-L75 HydrophobicContact CG-CD1 4.42Å; L54-L75 HydrophobicContact CD2-CD1 3.8Å; L58-L75 HydrophobicContact CB-CD2 3.65Å; L58-L75 HydrophobicContact CD1-CD2 4.05Å; L58-L75 HydrophobicContact CG-CD2 4.41Å; D71-L75 PolarHBondContact O-N 3.37Å; D71-L75 VanDerWaalsContact O-N 3.12Å; F72-L75 PolarHBondContact O-N 3.15Å; L73-L75 VanDerWaalsContact C-N 3.31Å; L73-L75 PolarHBondContact O-N 3.2Å; L75-L78 WeakPolarHBondContact O-CB 3.25Å; L75-L78 PolarHBondContact O-N 3.3Å; L75-S79 PolarHBondContact O-N 3.25Å
76I89.1Confident82Confident0 Ų048.8 Ų48.80%026%0.258CS..Hα-helixtrans-65.3-44.1175-62.4-55.7000111.1F72 L73 L78 S79 I80 L96 L97 I100 F115F72-I76 WeakPolarHBondContact O-CG1 3.21Å; F72-I76 PolarHBondContact O-N 2.78Å; F72-I76 VanDerWaalsContact O-N 3.07Å; L73-I76 PolarHBondContact O-N 3.06Å; L73-I76 VanDerWaalsContact O-N 3.16Å; I76-L78 VanDerWaalsContact C-N 3.34Å; I76-L78 PolarHBondContact O-N 3.11Å; I76-S79 WeakPolarHBondContact O-CB 3.48Å; I76-S79 PolarHBondContact O-N 3.43Å; I76-S79 VanDerWaalsContact O-N 3.08Å; I76-S79 PolarHBondContact O-OG 3.12Å; I76-I80 HydrophobicContact CG2-CD1 4Å; I76-I80 HydrophobicContact CG2-CG1 4.43Å; I76-I80 WeakPolarHBondContact O-CG1 3.37Å; I76-I80 PolarHBondContact O-N 3.03Å; I76-L96 HydrophobicContact CD1-CB 3.33Å; I76-L96 HydrophobicContact CD1-CD1 4.17Å; I76-L96 HydrophobicContact CD1-CG 4.4Å; I76-L97 HydrophobicContact CD1-CD2 4.25Å; I76-L97 HydrophobicContact CD1-CG 3.95Å; I76-L97 HydrophobicContact CG1-CD2 3.93Å; I76-L97 HydrophobicContact CG1-CG 4.14Å; I76-L97 HydrophobicContact CG2-CD1 4.27Å; I76-L97 HydrophobicContact CG2-CD2 4.22Å; I76-L97 HydrophobicContact CG2-CG 4.11Å; I76-I100 HydrophobicContact CD1-CD1 3.76Å; I76-I100 HydrophobicContact CG1-CD1 3.84Å; I76-F115 HydrophobicContact CB-CE1 4.5Å; I76-F115 HydrophobicContact CB-CZ 4.34Å; I76-F115 HydrophobicContact CG2-CE1 3.81Å; I76-F115 HydrophobicContact CG2-CZ 3.75Å
77Y88.6Confident83.3Confident100 Ų10040.3 Ų40.339%0.39222%0.221SC..Hα-helixtrans-57-46.6174.1-84.3-63.8000111.9L73 S74 S79 I80 D81 F115L73-Y77 VanDerWaalsContact O-CD2 3.28Å; L73-Y77 WeakPolarHBondContact O-CD2 3.27Å; L73-Y77 PolarHBondContact O-N 3.34Å; S74-Y77 PolarHBondContact O-N 3.02Å; Y77-S79 VanDerWaalsContact C-N 3.26Å; Y77-S79 PolarHBondContact O-N 3.44Å; Y77-I80 WeakPolarHBondContact O-CB 3.42Å; Y77-I80 PolarHBondContact O-N 3.16Å; Y77-I80 VanDerWaalsContact O-N 3.08Å; Y77-D81 PolarHBondContact O-N 3.49Å; Y77-F115 HydrophobicContact CD1-CE2 4.38Å; Y77-F115 AromaticContact CD2-CE2 3.96Å; Y77-F115 HydrophobicContact CD2-CE2 3.96Å; Y77-F115 AromaticContact CE1-CE2 3.87Å; Y77-F115 HydrophobicContact CE1-CE2 3.87Å; Y77-F115 AromaticContact CE2-CD2 3.99Å; Y77-F115 HydrophobicContact CE2-CD2 3.99Å; Y77-F115 AromaticContact CE2-CE2 3.42Å; Y77-F115 HydrophobicContact CE2-CE2 3.42Å; Y77-F115 VanDerWaalsContact CE2-CE2 3.42Å; Y77-F115 HydrophobicContact CE2-CZ 4.46Å; Y77-F115 HydrophobicContact CG-CE2 4.42Å; Y77-F115 AromaticContact CZ-CE2 3.37Å
78L87.9Confident84.4Confident7 Ų739.6 Ų39.64%0.03722%0.215CC..Hα-helixtrans-57.1-39.2174.2-88.7155.7000112.7A23 L24 S74 L75 I76 G82A23-L78 HydrophobicContact CB-CD1 4.25Å; A23-L78 HydrophobicContact CB-CD2 3.72Å; L24-L78 HydrophobicContact CD2-CD1 3.66Å; L24-L78 HydrophobicContact CG-CD1 3.94Å; S74-L78 PolarHBondContact O-N 3.24Å; L75-L78 WeakPolarHBondContact O-CB 3.25Å; L75-L78 PolarHBondContact O-N 3.3Å; I76-L78 VanDerWaalsContact C-N 3.34Å; I76-L78 PolarHBondContact O-N 3.11Å; L78-G82 PolarHBondContact O-N 2.62Å
79S88.3Confident85.1Confident0 Ų035.4 Ų35.40%020%0.196CC..Hα-helixtrans-69.2-35.3176.778.10000112.6L75 I76 Y77 G82 V83 P93L75-S79 PolarHBondContact O-N 3.25Å; I76-S79 WeakPolarHBondContact O-CB 3.48Å; I76-S79 PolarHBondContact O-N 3.43Å; I76-S79 VanDerWaalsContact O-N 3.08Å; I76-S79 PolarHBondContact O-OG 3.12Å; Y77-S79 VanDerWaalsContact C-N 3.26Å; Y77-S79 PolarHBondContact O-N 3.44Å; S79-G82 PolarHBondContact O-N 2.95Å; S79-V83 WeakPolarHBondContact O-CG2 3.29Å; S79-V83 PolarHBondContact O-N 2.96Å; S79-V83 VanDerWaalsContact O-N 3.11Å; S79-P93 WeakPolarHBondContact OG-CA 3.4Å; S79-P93 WeakPolarHBondContact OG-CB 3.48Å; S79-P93 WeakPolarHBondContact OG-CG 3.5Å
80I88.4Confident85.6Confident11 Ų1136 Ų366%0.05620%0.202CC..Hα-helixtrans-67.2-48.2175.3-67.1167.4000109.7I76 Y77 G82 V83 T84 P93 F115 T122 W123 F128I76-I80 HydrophobicContact CG2-CD1 4Å; I76-I80 HydrophobicContact CG2-CG1 4.43Å; I76-I80 WeakPolarHBondContact O-CG1 3.37Å; I76-I80 PolarHBondContact O-N 3.03Å; Y77-I80 WeakPolarHBondContact O-CB 3.42Å; Y77-I80 PolarHBondContact O-N 3.16Å; Y77-I80 VanDerWaalsContact O-N 3.08Å; I80-G82 VanDerWaalsContact C-N 3.27Å; I80-G82 PolarHBondContact O-N 3.39Å; I80-V83 WeakPolarHBondContact O-CB 3.47Å; I80-V83 PolarHBondContact O-N 2.89Å; I80-T84 PolarHBondContact O-N 3.27Å; I80-P93 HydrophobicContact CG1-CB 4.12Å; I80-P93 HydrophobicContact CG1-CG 4.24Å; I80-F115 HydrophobicContact CD1-CZ 4.37Å; I80-T122 HydrophobicContact CG2-CG2 3.9Å; I80-W123 HydrophobicContact CD1-CH2 3.74Å; I80-W123 HydrophobicContact CD1-CZ2 4.31Å; I80-W123 HydrophobicContact CD1-CZ3 4.34Å; I80-W123 HydrophobicContact CG1-CH2 4.22Å; I80-W123 HydrophobicContact CG1-CZ3 4.46Å; I80-F128 HydrophobicContact CG2-CZ 4.05Å
81D86.4Confident86.1Confident67 Ų6733 Ų3336%0.35819%0.189SC..Hα-helixtrans-59.9-40.2176.6-71-9.6000111.1Y77 V83 T84 E85Y77-D81 PolarHBondContact O-N 3.49Å; D81-V83 VanDerWaalsContact C-N 3.26Å; D81-V83 PolarHBondContact O-N 3.4Å; D81-T84 VanDerWaalsContact CA-OG1 3.3Å; D81-T84 WeakPolarHBondContact CA-OG1 3.49Å; D81-T84 PolarHBondContact O-N 3.37Å; D81-T84 PolarHBondContact O-OG1 3.14Å; D81-E85 WeakPolarHBondContact O-CB 3.37Å; D81-E85 VanDerWaalsContact O-CG 3.31Å; D81-E85 WeakPolarHBondContact O-CG 3.39Å; D81-E85 PolarHBondContact O-N 3.05Å
82G84Confident86.5Confident0 Ų030 Ų300%017%0.172CC..Hα-helixtrans-62.7-31.9174.500000113.2L78 S79 I80 G86 I87 C88L78-G82 PolarHBondContact O-N 2.62Å; S79-G82 PolarHBondContact O-N 2.95Å; I80-G82 VanDerWaalsContact C-N 3.27Å; I80-G82 PolarHBondContact O-N 3.39Å; G82-G86 PolarHBondContact O-N 3.42Å; G82-I87 VanDerWaalsContact CA-CG1 3.43Å; G82-I87 WeakPolarHBondContact O-CG1 3.49Å; G82-I87 PolarHBondContact O-N 3.34Å; G82-C88 PolarHBondContact O-N 2.77Å
83V85.4Confident86.9Confident18 Ų1829.7 Ų29.711%0.10917%0.171CC..Hα-helixtrans-76-38.8174.2173.30000111.2S79 I80 D81 E85 G86 C88 S89 A90 P93 F128S79-V83 WeakPolarHBondContact O-CG2 3.29Å; S79-V83 PolarHBondContact O-N 2.96Å; S79-V83 VanDerWaalsContact O-N 3.11Å; I80-V83 WeakPolarHBondContact O-CB 3.47Å; I80-V83 PolarHBondContact O-N 2.89Å; D81-V83 VanDerWaalsContact C-N 3.26Å; D81-V83 PolarHBondContact O-N 3.4Å; V83-E85 VanDerWaalsContact C-N 3.3Å; V83-E85 PolarHBondContact O-N 3.35Å; V83-G86 PolarHBondContact O-N 2.87Å; V83-C88 HydrophobicContact CG2-CB 3.71Å; V83-S89 VanDerWaalsContact CG2-O 3.25Å; V83-S89 WeakPolarHBondContact CG2-O 3.37Å; V83-A90 HydrophobicContact CG1-CB 4.21Å; V83-P93 HydrophobicContact CG2-CG 4.04Å; V83-F128 HydrophobicContact CB-CE1 3.69Å; V83-F128 HydrophobicContact CB-CZ 3.57Å; V83-F128 HydrophobicContact CG1-CD1 4.29Å; V83-F128 HydrophobicContact CG1-CE1 3.42Å; V83-F128 VanDerWaalsContact CG1-CE1 3.42Å; V83-F128 HydrophobicContact CG1-CE2 4.17Å; V83-F128 HydrophobicContact CG1-CZ 3.37Å; V83-F128 HydrophobicContact CG2-CE1 4.08Å; V83-F128 HydrophobicContact CG2-CZ 4.43Å
84T84.9Confident87.2Confident89 Ų8928.5 Ų28.555%0.54617%0.165SC..Hα-helixtrans-65.1-35.5177.352.90000112.3I80 D81 G86 F128I80-T84 PolarHBondContact O-N 3.27Å; D81-T84 VanDerWaalsContact CA-OG1 3.3Å; D81-T84 WeakPolarHBondContact CA-OG1 3.49Å; D81-T84 PolarHBondContact O-N 3.37Å; D81-T84 PolarHBondContact O-OG1 3.14Å; T84-G86 PolarHBondContact O-N 3.46Å; T84-F128 HydrophobicContact CG2-CE2 4.28Å; T84-F128 HydrophobicContact CG2-CZ 4.49Å
85E84.2Confident87.5Confident121 Ų12128.9 Ų28.957%0.56516%0.164SC*.THydrogen-bonded Turntrans-79.9-4174-65-65.815300113I33 D81 V83 I87I33-E85 HydrophobicContact CD1-CB 4.44Å; I33-E85 HydrophobicContact CD1-CG 3.98Å; D81-E85 WeakPolarHBondContact O-CB 3.37Å; D81-E85 VanDerWaalsContact O-CG 3.31Å; D81-E85 WeakPolarHBondContact O-CG 3.39Å; D81-E85 PolarHBondContact O-N 3.05Å; V83-E85 VanDerWaalsContact C-N 3.3Å; V83-E85 PolarHBondContact O-N 3.35Å; E85-I87 VanDerWaalsContact C-N 3.32Å; E85-I87 HydrophobicContact CB-CG1 4.45Å; E85-I87 PolarHBondContact O-N 3.04Å
86G82.9Confident87.7Confident35 Ų3528.9 Ų28.936%0.36116%0.164SC..THydrogen-bonded Turntrans76.311.9175.600000115.5K47 G82 V83 T84K47-G86 WeakPolarHBondContact CE-O 3.2Å; K47-G86 PolarHBondContact NZ-O 2.77Å; G82-G86 PolarHBondContact O-N 3.42Å; V83-G86 PolarHBondContact O-N 2.87Å; T84-G86 PolarHBondContact O-N 3.46Å
87I83.4Confident87.8Confident9 Ų928.9 Ų28.95%0.04616%0.164CC..SBendtrans-89.4-22.4179.760171.2000113.6L32 I33 F36 K47 L50 G82 E85L32-I87 HydrophobicContact CB-CD1 4.35Å; L32-I87 HydrophobicContact CD2-CD1 3.55Å; I33-I87 HydrophobicContact CG1-CD1 3.85Å; F36-I87 HydrophobicContact CB-CG2 4.22Å; F36-I87 HydrophobicContact CD1-CB 4.29Å; F36-I87 HydrophobicContact CD1-CG2 3.74Å; F36-I87 HydrophobicContact CD2-CB 4.07Å; F36-I87 HydrophobicContact CD2-CG2 4.39Å; F36-I87 HydrophobicContact CE1-CG2 4.18Å; F36-I87 HydrophobicContact CE2-CB 4.32Å; F36-I87 WeakPolarHBondContact CE2-O 3.41Å; F36-I87 HydrophobicContact CG-CB 4.05Å; F36-I87 HydrophobicContact CG-CG2 3.86Å; K47-I87 WeakPolarHBondContact CG-O 3.42Å; L50-I87 HydrophobicContact CD2-CB 4.4Å; L50-I87 HydrophobicContact CD2-CD1 4.44Å; L50-I87 HydrophobicContact CD2-CG1 4.41Å; G82-I87 VanDerWaalsContact CA-CG1 3.43Å; G82-I87 WeakPolarHBondContact O-CG1 3.49Å; G82-I87 PolarHBondContact O-N 3.34Å; E85-I87 VanDerWaalsContact C-N 3.32Å; E85-I87 HydrophobicContact CB-CG1 4.45Å; E85-I87 PolarHBondContact O-N 3.04Å
88C84.1Confident88Confident6 Ų624.5 Ų24.54%0.04115%0.149CC..SBendtrans-110.6159.5178-72.40000112.3L50 G82 V83L50-C88 WeakPolarHBondContact CD2-SG 3.19Å; G82-C88 PolarHBondContact O-N 2.77Å; V83-C88 HydrophobicContact CG2-CB 3.71Å
89S87.4Confident88.1Confident30 Ų3026.9 Ų26.921%0.2116%0.162CC..  trans-73.1139.7171.5-57.40000111.1D51 V83 T91 T92D51-S89 PolarHBondContact OD1-N 3.3Å; D51-S89 WeakPolarHBondContact OD2-CB 3.36Å; D51-S89 PolarHBondContact OD2-OG 3.04Å; V83-S89 VanDerWaalsContact CG2-O 3.25Å; V83-S89 WeakPolarHBondContact CG2-O 3.37Å; S89-T91 PolarHBondContact O-N 2.96Å; S89-T92 WeakPolarHBondContact O-CB 2.93Å; S89-T92 PolarHBondContact O-N 3.33Å; S89-T92 PolarHBondContact O-OG1 2.87Å
90A86.8Confident88.2Confident31 Ų3127 Ų2726%0.25616%0.163SC..THydrogen-bonded Turntrans-60.9-17.4-179.400000114.3V83 F94 A131V83-A90 HydrophobicContact CG1-CB 4.21Å; A90-F94 WeakPolarHBondContact O-CD2 3.46Å; A90-F94 WeakPolarHBondContact O-CE2 3.38Å; A90-A131 HydrophobicContact CB-CB 3.9Å
91T90.5Very high88.4Confident44 Ų4426.7 Ų26.727%0.2716%0.161SC..THydrogen-bonded Turntrans-85.1-18.2177.552.90000113.7S89 F94 L95 A131 Y135S89-T91 PolarHBondContact O-N 2.96Å; T91-F94 PolarHBondContact O-N 3.33Å; T91-L95 WeakPolarHBondContact O-CG 3.35Å; T91-L95 PolarHBondContact O-N 3.16Å; T91-L95 VanDerWaalsContact O-N 3.15Å; T91-A131 HydrophobicContact CG2-CB 4.14Å; T91-Y135 HydrophobicContact CG2-CE2 3.83Å
92T90.4Very high88.6Confident2 Ų227.7 Ų27.71%0.01217%0.167CC..Hα-helixtrans-63.2-46.8-169.3-58.30000113.6D51 L54 S89 F94 L95 L96D51-T92 HydrophobicContact CB-CG2 4.19Å; D51-T92 WeakPolarHBondContact OD1-CB 3.44Å; D51-T92 WeakPolarHBondContact OD1-CG2 3.29Å; D51-T92 PolarHBondContact OD1-OG1 3.47Å; D51-T92 PolarHBondContact OD2-OG1 3.49Å; L54-T92 HydrophobicContact CD1-CG2 4.01Å; S89-T92 WeakPolarHBondContact O-CB 2.93Å; S89-T92 PolarHBondContact O-N 3.33Å; S89-T92 PolarHBondContact O-OG1 2.87Å; T92-F94 PolarHBondContact O-N 3.31Å; T92-L95 PolarHBondContact O-N 2.84Å; T92-L95 VanDerWaalsContact O-N 3.12Å; T92-L96 HydrophobicContact CG2-CD1 4.02Å; T92-L96 HydrophobicContact CG2-CG 4.29Å; T92-L96 WeakPolarHBondContact O-CG 3.49Å; T92-L96 PolarHBondContact O-N 3.49Å
93P91.9Very high88.8Confident0 Ų031.6 Ų31.60%019%0.193CC..Hα-helixtrans-59.2-36.2178.4-23.634.2000112.7S79 I80 V83 L97 W123 F128S79-P93 WeakPolarHBondContact OG-CA 3.4Å; S79-P93 WeakPolarHBondContact OG-CB 3.48Å; S79-P93 WeakPolarHBondContact OG-CG 3.5Å; I80-P93 HydrophobicContact CG1-CB 4.12Å; I80-P93 HydrophobicContact CG1-CG 4.24Å; V83-P93 HydrophobicContact CG2-CG 4.04Å; P93-L97 WeakPolarHBondContact O-CB 3.38Å; P93-L97 WeakPolarHBondContact O-CG 3.44Å; P93-L97 PolarHBondContact O-N 3.31Å; P93-W123 HydrophobicContact CB-CH2 4.48Å; P93-W123 HydrophobicContact CB-CZ3 4.38Å; P93-F128 HydrophobicContact CG-CE1 4.21Å
94F92.6Very high88.9Confident1 Ų131.5 Ų31.50%0.00419%0.192CC..Hα-helixtrans-71.2-34.9178.7-58-69.4000113.1A90 T91 T92 G98 W123 F128 G132 Y135 L136 M139A90-F94 WeakPolarHBondContact O-CD2 3.46Å; A90-F94 WeakPolarHBondContact O-CE2 3.38Å; T91-F94 PolarHBondContact O-N 3.33Å; T92-F94 PolarHBondContact O-N 3.31Å; F94-G98 PolarHBondContact O-N 3.14Å; F94-W123 HydrophobicContact CD1-CE3 4.33Å; F94-W123 HydrophobicContact CD1-CZ3 4.19Å; F94-W123 HydrophobicContact CE1-CD2 4.05Å; F94-W123 AromaticContact CE1-CE3 3.28Å; F94-W123 HydrophobicContact CE1-CE3 3.28Å; F94-W123 HydrophobicContact CE1-CH2 4.45Å; F94-W123 AromaticContact CE1-CZ3 3.51Å; F94-W123 HydrophobicContact CE1-CZ3 3.51Å; F94-W123 AromaticContact CZ-CE3 3.48Å; F94-W123 HydrophobicContact CZ-CE3 3.48Å; F94-W123 VanDerWaalsContact CZ-CE3 3.48Å; F94-W123 AromaticContact CZ-CZ3 3.76Å; F94-W123 HydrophobicContact CZ-CZ3 3.76Å; F94-F128 HydrophobicContact CE2-CB 4.36Å; F94-F128 HydrophobicContact CE2-CD1 4.01Å; F94-F128 HydrophobicContact CZ-CB 4.05Å; F94-F128 HydrophobicContact CZ-CD1 4.18Å; F94-G132 VanDerWaalsContact CD2-CA 3.43Å; F94-G132 VanDerWaalsContact CZ-CA 3.47Å; F94-Y135 HydrophobicContact CB-CD2 4.24Å; F94-Y135 HydrophobicContact CB-CG 4.07Å; F94-L136 HydrophobicContact CD1-CD1 4.38Å; F94-L136 HydrophobicContact CD1-CD2 4.1Å; F94-L136 HydrophobicContact CD1-CG 3.9Å; F94-L136 HydrophobicContact CE1-CD1 3.79Å; F94-L136 HydrophobicContact CE1-CD2 4.12Å; F94-L136 HydrophobicContact CE1-CG 3.83Å; F94-M139 HydrophobicContact CD1-CE 4.5Å
95L92.1Very high89Confident35 Ų3531.1 Ų31.118%0.18319%0.191CC..Hα-helixtrans-70.8-44.2177.1-69.2160.8000110.2T91 T92 L97 G98 D99 Y135T91-L95 WeakPolarHBondContact O-CG 3.35Å; T91-L95 PolarHBondContact O-N 3.16Å; T91-L95 VanDerWaalsContact O-N 3.15Å; T92-L95 PolarHBondContact O-N 2.84Å; T92-L95 VanDerWaalsContact O-N 3.12Å; L95-L97 PolarHBondContact O-N 3.44Å; L95-G98 PolarHBondContact O-N 3.31Å; L95-D99 WeakPolarHBondContact O-CB 3.48Å; L95-D99 PolarHBondContact O-N 3.46Å; L95-Y135 HydrophobicContact CD2-CD1 4Å; L95-Y135 HydrophobicContact CD2-CE1 3.55Å; L95-Y135 HydrophobicContact CG-CE1 4.26Å
96L91.7Very high89.1Confident0 Ų027.7 Ų27.70%018%0.176CC..Hα-helixtrans-60.7-45.1174.2-64.6173.4000111.6L54 R55 L58 I76 T92 G98 D99 I100L54-L96 HydrophobicContact CB-CD1 4.22Å; R55-L96 HydrophobicContact CB-CD2 4.31Å; R55-L96 HydrophobicContact CG-CD2 3.58Å; L58-L96 HydrophobicContact CB-CD2 4.25Å; L58-L96 HydrophobicContact CD2-CB 4.19Å; L58-L96 HydrophobicContact CD2-CD2 3.63Å; I76-L96 HydrophobicContact CD1-CB 3.33Å; I76-L96 HydrophobicContact CD1-CD1 4.17Å; I76-L96 HydrophobicContact CD1-CG 4.4Å; T92-L96 HydrophobicContact CG2-CD1 4.02Å; T92-L96 HydrophobicContact CG2-CG 4.29Å; T92-L96 WeakPolarHBondContact O-CG 3.49Å; T92-L96 PolarHBondContact O-N 3.49Å; L96-G98 VanDerWaalsContact C-N 3.3Å; L96-G98 PolarHBondContact O-N 2.99Å; L96-D99 PolarHBondContact O-N 3.01Å; L96-I100 WeakPolarHBondContact O-CB 3.16Å; L96-I100 WeakPolarHBondContact O-CD1 3.45Å; L96-I100 WeakPolarHBondContact O-CG1 3.29Å; L96-I100 PolarHBondContact O-N 3.15Å
97L92.4Very high89.2Confident0 Ų032.3 Ų32.30%019%0.193CC..Hα-helixtrans-60-40.1174.6-80.7169.9000112.3I76 P93 L95 L101 I112 F115 V116 W123 M139I76-L97 HydrophobicContact CD1-CD2 4.25Å; I76-L97 HydrophobicContact CD1-CG 3.95Å; I76-L97 HydrophobicContact CG1-CD2 3.93Å; I76-L97 HydrophobicContact CG1-CG 4.14Å; I76-L97 HydrophobicContact CG2-CD1 4.27Å; I76-L97 HydrophobicContact CG2-CD2 4.22Å; I76-L97 HydrophobicContact CG2-CG 4.11Å; P93-L97 WeakPolarHBondContact O-CB 3.38Å; P93-L97 WeakPolarHBondContact O-CG 3.44Å; P93-L97 PolarHBondContact O-N 3.31Å; L95-L97 PolarHBondContact O-N 3.44Å; L97-L101 WeakPolarHBondContact O-CB 3.44Å; L97-L101 VanDerWaalsContact O-CG 3.25Å; L97-L101 WeakPolarHBondContact O-CG 2.94Å; L97-L101 PolarHBondContact O-N 3.19Å; L97-I112 HydrophobicContact CD2-CG2 4.27Å; L97-F115 HydrophobicContact CD2-CE1 4.26Å; L97-V116 HydrophobicContact CD1-CG2 4.4Å; L97-V116 HydrophobicContact CD2-CG2 4.23Å; L97-W123 HydrophobicContact CD1-CH2 3.67Å; L97-W123 HydrophobicContact CD1-CZ2 3.79Å; L97-M139 HydrophobicContact CB-CE 4.4Å; L97-M139 HydrophobicContact CB-SD 3.92Å
98G91.8Very high89.4Confident8 Ų835.1 Ų35.18%0.08221%0.205CC..Hα-helixtrans-64.2-50.1177.100000111.7F94 L95 L96 I100 L101 D102 M139F94-G98 PolarHBondContact O-N 3.14Å; L95-G98 PolarHBondContact O-N 3.31Å; L96-G98 VanDerWaalsContact C-N 3.3Å; L96-G98 PolarHBondContact O-N 2.99Å; G98-I100 VanDerWaalsContact C-N 3.31Å; G98-I100 PolarHBondContact O-N 2.64Å; G98-L101 PolarHBondContact O-N 3.07Å; G98-D102 WeakPolarHBondContact O-CB 3.47Å; G98-D102 PolarHBondContact O-N 3.39Å; G98-M139 WeakPolarHBondContact CA-SD 3.37Å; G98-M139 PolarHBondContact N-SD 3.1Å
99D91Very high89.7Confident58 Ų5834.8 Ų34.831%0.3120%0.203SC..Hα-helixtrans-58.9-42.7178.6-63.5-19.1000110.6R55 L58 L95 L96 C103R55-D99 IonicContact NH1-OD2 2.89Å; R55-D99 PolarHBondContact NH1-OD2 3.24Å; L58-D99 HydrophobicContact CD2-CB 4.15Å; L95-D99 WeakPolarHBondContact O-CB 3.48Å; L95-D99 PolarHBondContact O-N 3.46Å; L96-D99 PolarHBondContact O-N 3.01Å; D99-C103 WeakPolarHBondContact O-CB 3.49Å; D99-C103 PolarHBondContact O-N 3.2Å; D99-C103 VanDerWaalsContact O-N 3.08Å; D99-C103 PolarHBondContact O-SG 3.38Å
100I90.6Very high89.7Confident2 Ų236 Ų361%0.0121%0.208CC..Hα-helixtrans-59.9-53.5174.4-71.8161.8000111.2L58 F72 I76 L96 G98 D102 C103 L104 I112L58-I100 HydrophobicContact CD1-CD1 3.88Å; L58-I100 HydrophobicContact CD1-CG1 3.51Å; L58-I100 HydrophobicContact CD2-CD1 4.33Å; L58-I100 HydrophobicContact CD2-CG1 3.84Å; L58-I100 HydrophobicContact CG-CG1 4.26Å; F72-I100 HydrophobicContact CB-CD1 4.1Å; I76-I100 HydrophobicContact CD1-CD1 3.76Å; I76-I100 HydrophobicContact CG1-CD1 3.84Å; L96-I100 WeakPolarHBondContact O-CB 3.16Å; L96-I100 WeakPolarHBondContact O-CD1 3.45Å; L96-I100 WeakPolarHBondContact O-CG1 3.29Å; L96-I100 PolarHBondContact O-N 3.15Å; G98-I100 VanDerWaalsContact C-N 3.31Å; G98-I100 PolarHBondContact O-N 2.64Å; I100-D102 VanDerWaalsContact C-N 3.27Å; I100-D102 PolarHBondContact O-N 3.09Å; I100-C103 PolarHBondContact O-N 3.08Å; I100-L104 HydrophobicContact CG2-CD1 3.51Å; I100-L104 HydrophobicContact CG2-CG 4.29Å; I100-L104 WeakPolarHBondContact O-CB 3.06Å; I100-L104 VanDerWaalsContact O-CG 3.25Å; I100-L104 WeakPolarHBondContact O-CG 3.45Å; I100-L104 PolarHBondContact O-N 3.15Å; I100-L104 VanDerWaalsContact O-N 3.1Å; I100-I112 HydrophobicContact CG2-CD1 3.56Å
101L91.1Very high89.8Confident5 Ų541 Ų413%0.02622%0.223CC..Hα-helixtrans-62.5-38-175.9-72.7170.5000111L97 G98 C109 I112 M139 L143 R146L97-L101 WeakPolarHBondContact O-CB 3.44Å; L97-L101 VanDerWaalsContact O-CG 3.25Å; L97-L101 WeakPolarHBondContact O-CG 2.94Å; L97-L101 PolarHBondContact O-N 3.19Å; G98-L101 PolarHBondContact O-N 3.07Å; L101-C109 HydrophobicContact CD2-CB 3.89Å; L101-C109 PolarHBondContact O-SG 3.38Å; L101-C109 VanDerWaalsContact O-SG 3.36Å; L101-I112 HydrophobicContact CD2-CB 4.34Å; L101-I112 HydrophobicContact CD2-CG2 4.05Å; L101-M139 HydrophobicContact CD1-CB 4.36Å; L101-M139 HydrophobicContact CD1-SD 4.23Å; L101-L143 HydrophobicContact CD1-CD1 4.1Å; L101-L143 HydrophobicContact CD2-CD1 4.39Å; L101-L143 HydrophobicContact CD2-CD2 4.49Å; L101-R146 PolarHBondContact O-NH1 3.5Å; L101-R146 PolarHBondContact O-NH2 2.9Å
102D90.5Very high89.8Confident88 Ų8839 Ų3947%0.47121%0.211SC..Hα-helixtrans-70-34.7179.3-75.4-19.6000113.4G98 I100 R146G98-D102 WeakPolarHBondContact O-CB 3.47Å; G98-D102 PolarHBondContact O-N 3.39Å; I100-D102 VanDerWaalsContact C-N 3.27Å; I100-D102 PolarHBondContact O-N 3.09Å; D102-R146 IonicContact OD1-NH1 3.72Å
103C89.1Confident89.9Confident81 Ų8139 Ų3955%0.54721%0.211SC..Hα-helixtrans-82.5-21.8179.7-68.90000114.4I62 D99 I100I62-C103 HydrophobicContact CD1-CB 4.05Å; I62-C103 HydrophobicContact CG2-CB 3.99Å; D99-C103 WeakPolarHBondContact O-CB 3.49Å; D99-C103 PolarHBondContact O-N 3.2Å; D99-C103 VanDerWaalsContact O-N 3.08Å; D99-C103 PolarHBondContact O-SG 3.38Å; I100-C103 PolarHBondContact O-N 3.08Å
104L87.4Confident89.8Confident17 Ų1740.7 Ų40.79%0.08922%0.223CC..SBendtrans-95.5152.8-172.4-66.9-179.2000114.5F72 I100 Q108 I112 R146F72-L104 HydrophobicContact CD2-CD1 4.27Å; F72-L104 HydrophobicContact CE2-CD1 4.23Å; F72-L104 HydrophobicContact CE2-CD2 4.29Å; I100-L104 HydrophobicContact CG2-CD1 3.51Å; I100-L104 HydrophobicContact CG2-CG 4.29Å; I100-L104 WeakPolarHBondContact O-CB 3.06Å; I100-L104 VanDerWaalsContact O-CG 3.25Å; I100-L104 WeakPolarHBondContact O-CG 3.45Å; I100-L104 PolarHBondContact O-N 3.15Å; I100-L104 VanDerWaalsContact O-N 3.1Å; L104-Q108 HydrophobicContact CB-CB 4.36Å; L104-Q108 HydrophobicContact CD1-CB 4.24Å; L104-I112 HydrophobicContact CD1-CD1 3.29Å; L104-R146 PolarHBondContact O-NH2 3.32Å
105P88.2Confident89.7Confident80 Ų8041 Ų4152%0.51922%0.224SC..  trans-66159.4169.3-1831.7000113D107 Q108 C109P105-D107 VanDerWaalsContact C-N 3.32Å; P105-D107 PolarHBondContact O-N 3.44Å; P105-Q108 PolarHBondContact O-N 3.1Å; P105-Q108 VanDerWaalsContact O-N 3.14Å; P105-C109 PolarHBondContact O-N 2.92Å; P105-C109 VanDerWaalsContact O-N 3.11Å; P105-C109 PolarHBondContact O-SG 2.99Å; P105-C109 VanDerWaalsContact O-SG 3.37Å
106L85.4Confident89.7Confident49 Ų4939.6 Ų39.626%0.25722%0.217SC..Hα-helixtrans-58.1-37.6-172.8-63.9177.5000114.1Q108 C109 D110 L147L106-Q108 VanDerWaalsContact C-N 3.29Å; L106-Q108 PolarHBondContact O-N 3.49Å; L106-C109 WeakPolarHBondContact O-CB 3.42Å; L106-C109 PolarHBondContact O-N 3.19Å; L106-D110 PolarHBondContact O-N 2.9Å; L106-L147 HydrophobicContact CD1-CD2 4.04Å; L106-L147 HydrophobicContact CD2-CD2 3.7Å; L106-L147 HydrophobicContact CD2-CG 4.43Å; L106-L147 HydrophobicContact CG-CD2 4.34Å
107D85.8Confident89.6Confident133 Ų13341.9 Ų41.971%0.71123%0.228SC*.Hα-helixtrans-64.8-33.6-178.9-54.6-38.5000112.7P105P105-D107 VanDerWaalsContact C-N 3.32Å; P105-D107 PolarHBondContact O-N 3.44Å
108Q87.1Confident89.5Confident67 Ų6748.9 Ų48.931%0.31326%0.26SS..Hα-helixtrans-80-36.3175.3-63.9-161.37.500111.3V69 L104 P105 L106 D110 K111 I112V69-Q108 HydrophobicContact CG2-CB 4.28Å; V69-Q108 HydrophobicContact CG2-CG 4.25Å; L104-Q108 HydrophobicContact CB-CB 4.36Å; L104-Q108 HydrophobicContact CD1-CB 4.24Å; P105-Q108 PolarHBondContact O-N 3.1Å; P105-Q108 VanDerWaalsContact O-N 3.14Å; L106-Q108 VanDerWaalsContact C-N 3.29Å; L106-Q108 PolarHBondContact O-N 3.49Å; Q108-D110 PolarHBondContact O-N 3.33Å; Q108-K111 PolarHBondContact O-N 2.97Å; Q108-I112 WeakPolarHBondContact O-CG1 3.4Å; Q108-I112 PolarHBondContact O-N 2.95Å
109C89.4Confident89.4Confident0 Ų049.5 Ų49.50%026%0.262CS..Hα-helixtrans-57.8-37.3173.7-65.80000112L101 P105 L106 I112 F113 L143L101-C109 HydrophobicContact CD2-CB 3.89Å; L101-C109 PolarHBondContact O-SG 3.38Å; L101-C109 VanDerWaalsContact O-SG 3.36Å; P105-C109 PolarHBondContact O-N 2.92Å; P105-C109 VanDerWaalsContact O-N 3.11Å; P105-C109 PolarHBondContact O-SG 2.99Å; P105-C109 VanDerWaalsContact O-SG 3.37Å; L106-C109 WeakPolarHBondContact O-CB 3.42Å; L106-C109 PolarHBondContact O-N 3.19Å; C109-I112 PolarHBondContact O-N 3.03Å; C109-F113 VanDerWaalsContact O-CB 3.26Å; C109-F113 WeakPolarHBondContact O-CB 3.28Å; C109-F113 PolarHBondContact O-N 3.14Å; C109-L143 HydrophobicContact CB-CD2 4.26Å
110D88.7Confident89.2Confident56 Ų5647 Ų4730%0.29925%0.249SC..Hα-helixtrans-63.9-40.5177.2-170.842.7000112.6L106 Q108 F113 S114 F155 R158L106-D110 PolarHBondContact O-N 2.9Å; Q108-D110 PolarHBondContact O-N 3.33Å; D110-F113 PolarHBondContact O-N 3.01Å; D110-S114 PolarHBondContact O-N 3.15Å; D110-S114 PolarHBondContact O-OG 3.29Å; D110-F155 HydrophobicContact CB-CE1 4.42Å; D110-F155 HydrophobicContact CB-CE2 4.4Å; D110-F155 HydrophobicContact CB-CZ 4.34Å; D110-F155 WeakPolarHBondContact OD1-CD2 3.39Å; D110-F155 WeakPolarHBondContact OD1-CE2 3.47Å; D110-R158 IonicContact OD1-CZ 3.67Å; D110-R158 IonicContact OD1-NH1 3.29Å; D110-R158 PolarHBondContact OD1-NH1 3.36Å; D110-R158 IonicContact OD2-NH1 2.78Å
111K88.6Confident89Confident135 Ų13551.2 Ų51.259%0.58728%0.278SS*.Hα-helixtrans-65-45.5174.1-65.1-178.4-177.3-178.10111.7V69 Q108 F113 S114 F115V69-K111 HydrophobicContact CG1-CB 4.29Å; V69-K111 HydrophobicContact CG2-CD 4.45Å; Q108-K111 PolarHBondContact O-N 2.97Å; K111-F113 VanDerWaalsContact C-N 3.3Å; K111-F113 PolarHBondContact O-N 3.29Å; K111-S114 VanDerWaalsContact O-CB 3.28Å; K111-S114 WeakPolarHBondContact O-CB 3.46Å; K111-S114 PolarHBondContact O-N 2.86Å; K111-F115 PolarHBondContact O-N 2.84Å
112I90.2Very high88.8Confident1 Ų152.8 Ų52.81%0.00529%0.288CS..Hα-helixtrans-66.7-35.2179.1-66.2161.2000111V69 L73 L97 I100 L101 L104 Q108 C109 S114 F115 V116V69-I112 HydrophobicContact CG1-CD1 4.36Å; V69-I112 HydrophobicContact CG1-CG1 3.65Å; L73-I112 HydrophobicContact CD2-CG1 4.5Å; L73-I112 HydrophobicContact CD2-CG2 4.39Å; L97-I112 HydrophobicContact CD2-CG2 4.27Å; I100-I112 HydrophobicContact CG2-CD1 3.56Å; L101-I112 HydrophobicContact CD2-CB 4.34Å; L101-I112 HydrophobicContact CD2-CG2 4.05Å; L104-I112 HydrophobicContact CD1-CD1 3.29Å; Q108-I112 WeakPolarHBondContact O-CG1 3.4Å; Q108-I112 PolarHBondContact O-N 2.95Å; C109-I112 PolarHBondContact O-N 3.03Å; I112-S114 VanDerWaalsContact C-N 3.27Å; I112-S114 PolarHBondContact O-N 2.93Å; I112-F115 WeakPolarHBondContact O-CB 3.49Å; I112-F115 PolarHBondContact O-N 3.45Å; I112-V116 PolarHBondContact O-N 3.28Å; I112-V116 VanDerWaalsContact O-N 3.16Å
113F92.1Very high88.7Confident3 Ų348.6 Ų48.61%0.01327%0.266CS..Hα-helixtrans-66.3-32.4176.6-162.3-97.5000112.1C109 D110 K111 F115 V116 E117 L143 F155 I159 F162C109-F113 VanDerWaalsContact O-CB 3.26Å; C109-F113 WeakPolarHBondContact O-CB 3.28Å; C109-F113 PolarHBondContact O-N 3.14Å; D110-F113 PolarHBondContact O-N 3.01Å; K111-F113 VanDerWaalsContact C-N 3.3Å; K111-F113 PolarHBondContact O-N 3.29Å; F113-F115 VanDerWaalsContact C-N 3.28Å; F113-F115 PolarHBondContact O-N 3.49Å; F113-V116 WeakPolarHBondContact O-CA 3.29Å; F113-V116 WeakPolarHBondContact O-CB 3.04Å; F113-V116 PolarHBondContact O-N 3.39Å; F113-E117 HydrophobicContact CD1-CG 3.9Å; F113-E117 HydrophobicContact CE1-CG 3.73Å; F113-E117 WeakPolarHBondContact CE1-OE1 3.39Å; F113-E117 WeakPolarHBondContact O-CG 3.49Å; F113-E117 PolarHBondContact O-N 3.37Å; F113-L143 HydrophobicContact CD2-CD1 4.06Å; F113-L143 HydrophobicContact CE2-CD1 4.4Å; F113-F155 HydrophobicContact CB-CE2 3.62Å; F113-F155 HydrophobicContact CB-CZ 3.93Å; F113-F155 AromaticContact CD1-CE2 3.8Å; F113-F155 HydrophobicContact CD1-CE2 3.8Å; F113-F155 HydrophobicContact CD2-CE2 4.45Å; F113-F155 AromaticContact CG-CE2 3.69Å; F113-F155 HydrophobicContact CG-CE2 3.69Å; F113-F155 HydrophobicContact CG-CZ 4.19Å; F113-I159 HydrophobicContact CD1-CG1 4.33Å; F113-I159 HydrophobicContact CD2-CG1 4.35Å; F113-I159 HydrophobicContact CE1-CB 4.43Å; F113-I159 HydrophobicContact CE1-CG1 3.87Å; F113-I159 HydrophobicContact CE2-CG1 3.9Å; F113-I159 HydrophobicContact CZ-CB 4.06Å; F113-I159 HydrophobicContact CZ-CG1 3.66Å; F113-I159 HydrophobicContact CZ-CG2 4.34Å; F113-F162 HydrophobicContact CE1-CB 3.96Å; F113-F162 HydrophobicContact CE1-CG 4.35Å; F113-F162 HydrophobicContact CE2-CD1 4.4Å; F113-F162 HydrophobicContact CZ-CB 3.7Å; F113-F162 AromaticContact CZ-CD1 3.85Å; F113-F162 HydrophobicContact CZ-CD1 3.85Å; F113-F162 AromaticContact CZ-CG 3.79Å; F113-F162 HydrophobicContact CZ-CG 3.79Å
114S91.1Very high88.5Confident35 Ų3549.4 Ų49.425%0.24526%0.26CS..Hα-helixtrans-58.5-41.8172.4-50.10000111.4D110 K111 I112 V116 E117 E118 R158D110-S114 PolarHBondContact O-N 3.15Å; D110-S114 PolarHBondContact O-OG 3.29Å; K111-S114 VanDerWaalsContact O-CB 3.28Å; K111-S114 WeakPolarHBondContact O-CB 3.46Å; K111-S114 PolarHBondContact O-N 2.86Å; I112-S114 VanDerWaalsContact C-N 3.27Å; I112-S114 PolarHBondContact O-N 2.93Å; S114-V116 VanDerWaalsContact C-N 3.34Å; S114-V116 PolarHBondContact O-N 2.58Å; S114-E117 WeakPolarHBondContact O-CB 3.4Å; S114-E117 PolarHBondContact O-N 3.27Å; S114-E118 WeakPolarHBondContact O-CG 3.47Å; S114-E118 PolarHBondContact O-N 3.02Å; S114-R158 PolarHBondContact OG-NH2 3.24Å
115F90Very high88.5Confident7 Ų750.6 Ų50.63%0.03127%0.27CS..Hα-helixtrans-62.3-38.9172159.5-86.8000112.7L73 I76 Y77 I80 L97 K111 I112 F113 E117 E118 N119 W123L73-F115 HydrophobicContact CD1-CB 4.12Å; L73-F115 HydrophobicContact CD1-CD2 4.32Å; L73-F115 HydrophobicContact CD1-CG 4.36Å; L73-F115 HydrophobicContact CD2-CB 3.74Å; L73-F115 HydrophobicContact CD2-CD1 3.64Å; L73-F115 HydrophobicContact CD2-CD2 3.84Å; L73-F115 HydrophobicContact CD2-CE1 4.2Å; L73-F115 HydrophobicContact CD2-CE2 4.34Å; L73-F115 HydrophobicContact CD2-CG 3.46Å; L73-F115 VanDerWaalsContact CD2-CG 3.46Å; L73-F115 HydrophobicContact CG-CD2 4.49Å; L73-F115 HydrophobicContact CG-CG 4.45Å; I76-F115 HydrophobicContact CB-CE1 4.5Å; I76-F115 HydrophobicContact CB-CZ 4.34Å; I76-F115 HydrophobicContact CG2-CE1 3.81Å; I76-F115 HydrophobicContact CG2-CZ 3.75Å; Y77-F115 HydrophobicContact CD1-CE2 4.38Å; Y77-F115 AromaticContact CD2-CE2 3.96Å; Y77-F115 HydrophobicContact CD2-CE2 3.96Å; Y77-F115 AromaticContact CE1-CE2 3.87Å; Y77-F115 HydrophobicContact CE1-CE2 3.87Å; Y77-F115 AromaticContact CE2-CD2 3.99Å; Y77-F115 HydrophobicContact CE2-CD2 3.99Å; Y77-F115 AromaticContact CE2-CE2 3.42Å; Y77-F115 HydrophobicContact CE2-CE2 3.42Å; Y77-F115 VanDerWaalsContact CE2-CE2 3.42Å; Y77-F115 HydrophobicContact CE2-CZ 4.46Å; Y77-F115 HydrophobicContact CG-CE2 4.42Å; Y77-F115 AromaticContact CZ-CE2 3.37Å; I80-F115 HydrophobicContact CD1-CZ 4.37Å; L97-F115 HydrophobicContact CD2-CE1 4.26Å; K111-F115 PolarHBondContact O-N 2.84Å; I112-F115 WeakPolarHBondContact O-CB 3.49Å; I112-F115 PolarHBondContact O-N 3.45Å; F113-F115 VanDerWaalsContact C-N 3.28Å; F113-F115 PolarHBondContact O-N 3.49Å; F115-E117 VanDerWaalsContact C-N 3.31Å; F115-E117 PolarHBondContact O-N 3.39Å; F115-E118 PolarHBondContact O-N 3.49Å; F115-N119 WeakPolarHBondContact CD2-ND2 3.5Å; F115-N119 WeakPolarHBondContact CE2-ND2 3.3Å; F115-N119 WeakPolarHBondContact CZ-ND2 3.46Å; F115-N119 PolarHBondContact O-N 2.97Å; F115-N119 PolarHBondContact O-ND2 3.23Å; F115-W123 HydrophobicContact CE1-CZ2 4.32Å
116V90.6Very high88.2Confident6 Ų653.9 Ų53.94%0.03628%0.283CS..Hα-helixtrans-64.8-37.7177176.90000110.9L97 I112 F113 S114 N119 W123 L136 F162L97-V116 HydrophobicContact CD1-CG2 4.4Å; L97-V116 HydrophobicContact CD2-CG2 4.23Å; I112-V116 PolarHBondContact O-N 3.28Å; I112-V116 VanDerWaalsContact O-N 3.16Å; F113-V116 WeakPolarHBondContact O-CA 3.29Å; F113-V116 WeakPolarHBondContact O-CB 3.04Å; F113-V116 PolarHBondContact O-N 3.39Å; S114-V116 VanDerWaalsContact C-N 3.34Å; S114-V116 PolarHBondContact O-N 2.58Å; V116-N119 PolarHBondContact O-N 2.98Å; V116-W123 PolarHBondContact O-NE1 2.74Å; V116-L136 HydrophobicContact CG1-CD2 4.41Å; V116-F162 HydrophobicContact CG1-CD2 4.48Å; V116-F162 HydrophobicContact CG1-CE1 4.08Å; V116-F162 HydrophobicContact CG1-CE2 3.69Å; V116-F162 HydrophobicContact CG1-CZ 3.47Å; V116-F162 VanDerWaalsContact CG1-CZ 3.47Å; V116-F162 WeakPolarHBondContact O-CE2 3.27Å
117E90.4Very high88Confident49 Ų4955.6 Ų55.623%0.22930%0.299CS..Hα-helixtrans-67.1-38.2176.3-71.2177153.600113.3F113 S114 F115 V120 R158 F162F113-E117 HydrophobicContact CD1-CG 3.9Å; F113-E117 HydrophobicContact CE1-CG 3.73Å; F113-E117 WeakPolarHBondContact CE1-OE1 3.39Å; F113-E117 WeakPolarHBondContact O-CG 3.49Å; F113-E117 PolarHBondContact O-N 3.37Å; S114-E117 WeakPolarHBondContact O-CB 3.4Å; S114-E117 PolarHBondContact O-N 3.27Å; F115-E117 VanDerWaalsContact C-N 3.31Å; F115-E117 PolarHBondContact O-N 3.39Å; E117-V120 WeakPolarHBondContact O-CG2 3.34Å; E117-R158 WeakPolarHBondContact OE1-CB 3.45Å; E117-R158 IonicContact OE1-NE 3.6Å; E117-R158 PolarHBondContact OE1-NE 2.93Å; E117-R158 IonicContact OE1-NH2 2.69Å; E117-R158 IonicContact OE2-CZ 3.92Å; E117-R158 IonicContact OE2-NE 2.76Å; E117-R158 PolarHBondContact OE2-NE 3.28Å; E117-R158 IonicContact OE2-NH2 3.4Å; E117-R158 PolarHBondContact OE2-NH2 3.3Å; E117-F162 HydrophobicContact CG-CB 4.48Å; E117-F162 HydrophobicContact CG-CD2 4.18Å
118E90.4Very high87.9Confident147 Ų14749.4 Ų49.469%0.68727%0.266SS*.Hα-helixtrans-67.3-37177.3-72.8175.3-175.500111.8S114 F115 V120S114-E118 WeakPolarHBondContact O-CG 3.47Å; S114-E118 PolarHBondContact O-N 3.02Å; F115-E118 PolarHBondContact O-N 3.49Å; E118-V120 VanDerWaalsContact C-N 3.32Å; E118-V120 PolarHBondContact O-N 3.45Å
119N88.7Confident87.9Confident21 Ų2148.2 Ų48.211%0.11226%0.259CS..THydrogen-bonded Turntrans-89.119.5-174.8-70.2-67.8000115F115 V116 S121 T122 W123F115-N119 WeakPolarHBondContact CD2-ND2 3.5Å; F115-N119 WeakPolarHBondContact CE2-ND2 3.3Å; F115-N119 WeakPolarHBondContact CZ-ND2 3.46Å; F115-N119 PolarHBondContact O-N 2.97Å; F115-N119 PolarHBondContact O-ND2 3.23Å; V116-N119 PolarHBondContact O-N 2.98Å; N119-S121 PolarHBondContact O-N 3.37Å; N119-T122 WeakPolarHBondContact O-CB 3.4Å; N119-T122 PolarHBondContact O-N 3.39Å; N119-W123 VanDerWaalsContact C-CD1 3.44Å; N119-W123 HydrophobicContact CB-CZ2 4.27Å; N119-W123 PolarHBondContact O-N 3.27Å; N119-W123 PolarHBondContact O-NE1 3.42Å
120V87.9Confident87.7Confident5 Ų553.4 Ų53.43%0.0329%0.29CS..Hα-helixtrans-54.5-36.3179.8170.30000113.4E117 E118 T122 W123 K124 F162 R165E117-V120 WeakPolarHBondContact O-CG2 3.34Å; E118-V120 VanDerWaalsContact C-N 3.32Å; E118-V120 PolarHBondContact O-N 3.45Å; V120-T122 VanDerWaalsContact C-N 3.34Å; V120-T122 PolarHBondContact O-N 3.19Å; V120-W123 PolarHBondContact O-N 3.01Å; V120-K124 HydrophobicContact CG1-CD 4.08Å; V120-K124 HydrophobicContact CG1-CG 4.29Å; V120-K124 WeakPolarHBondContact O-CB 3.37Å; V120-K124 WeakPolarHBondContact O-CG 3.49Å; V120-K124 PolarHBondContact O-N 3.46Å; V120-F162 HydrophobicContact CG2-CD2 3.82Å; V120-F162 HydrophobicContact CG2-CE2 3.51Å; V120-R165 HydrophobicContact CG1-CG 4.21Å
121S86.9Confident87.4Confident91 Ų9152.2 Ų52.264%0.63629%0.289SS*.Hα-helixtrans-61.1-42.4177.6480000111.9N119 K124 S125N119-S121 PolarHBondContact O-N 3.37Å; S121-K124 PolarHBondContact O-N 2.85Å; S121-S125 PolarHBondContact O-N 2.93Å
122T86.4Confident87.2Confident38 Ų3845.8 Ų45.823%0.23326%0.261CS..Hα-helixtrans-63.6-47.5176.6-50.70000110.7I80 N119 V120 K124 S125 F128I80-T122 HydrophobicContact CG2-CG2 3.9Å; N119-T122 WeakPolarHBondContact O-CB 3.4Å; N119-T122 PolarHBondContact O-N 3.39Å; V120-T122 VanDerWaalsContact C-N 3.34Å; V120-T122 PolarHBondContact O-N 3.19Å; T122-K124 VanDerWaalsContact C-N 3.28Å; T122-K124 PolarHBondContact O-N 2.88Å; T122-S125 WeakPolarHBondContact O-CB 3.46Å; T122-S125 PolarHBondContact O-N 3.49Å; T122-S125 VanDerWaalsContact O-N 3.15Å; T122-S125 PolarHBondContact O-OG 2.96Å; T122-F128 HydrophobicContact CG2-CD2 4.28Å; T122-F128 HydrophobicContact CG2-CE2 4.16Å
123W87.4Confident87Confident0 Ų048.4 Ų48.40%027%0.272CS..Hα-helixtrans-65.1-28.6179.8-50.7132.6000113.7I80 P93 F94 L97 F115 V116 N119 V120 Y129 L136 L166I80-W123 HydrophobicContact CD1-CH2 3.74Å; I80-W123 HydrophobicContact CD1-CZ2 4.31Å; I80-W123 HydrophobicContact CD1-CZ3 4.34Å; I80-W123 HydrophobicContact CG1-CH2 4.22Å; I80-W123 HydrophobicContact CG1-CZ3 4.46Å; P93-W123 HydrophobicContact CB-CH2 4.48Å; P93-W123 HydrophobicContact CB-CZ3 4.38Å; F94-W123 HydrophobicContact CD1-CE3 4.33Å; F94-W123 HydrophobicContact CD1-CZ3 4.19Å; F94-W123 HydrophobicContact CE1-CD2 4.05Å; F94-W123 AromaticContact CE1-CE3 3.28Å; F94-W123 HydrophobicContact CE1-CE3 3.28Å; F94-W123 HydrophobicContact CE1-CH2 4.45Å; F94-W123 AromaticContact CE1-CZ3 3.51Å; F94-W123 HydrophobicContact CE1-CZ3 3.51Å; F94-W123 AromaticContact CZ-CE3 3.48Å; F94-W123 HydrophobicContact CZ-CE3 3.48Å; F94-W123 VanDerWaalsContact CZ-CE3 3.48Å; F94-W123 AromaticContact CZ-CZ3 3.76Å; F94-W123 HydrophobicContact CZ-CZ3 3.76Å; L97-W123 HydrophobicContact CD1-CH2 3.67Å; L97-W123 HydrophobicContact CD1-CZ2 3.79Å; F115-W123 HydrophobicContact CE1-CZ2 4.32Å; V116-W123 PolarHBondContact O-NE1 2.74Å; N119-W123 VanDerWaalsContact C-CD1 3.44Å; N119-W123 HydrophobicContact CB-CZ2 4.27Å; N119-W123 PolarHBondContact O-N 3.27Å; N119-W123 PolarHBondContact O-NE1 3.42Å; V120-W123 PolarHBondContact O-N 3.01Å; W123-Y129 WeakPolarHBondContact O-CA 3.31Å; W123-Y129 PolarHBondContact O-N 3.14Å; W123-L136 HydrophobicContact CB-CD1 4.21Å; W123-L136 HydrophobicContact CG-CD1 4.46Å; W123-L166 HydrophobicContact CB-CD1 4.22Å
124K85.5Confident86.9Confident97 Ų9752 Ų5242%0.42229%0.292SS..Hα-helixtrans-81-12176.4-78.4-171.2174.3-167.30114.5V120 S121 T122 R165 L166V120-K124 HydrophobicContact CG1-CD 4.08Å; V120-K124 HydrophobicContact CG1-CG 4.29Å; V120-K124 WeakPolarHBondContact O-CB 3.37Å; V120-K124 WeakPolarHBondContact O-CG 3.49Å; V120-K124 PolarHBondContact O-N 3.46Å; S121-K124 PolarHBondContact O-N 2.85Å; T122-K124 VanDerWaalsContact C-N 3.28Å; T122-K124 PolarHBondContact O-N 2.88Å; K124-R165 WeakPolarHBondContact CE-O 3.32Å; K124-R165 PolarHBondContact NZ-O 2.91Å; K124-L166 HydrophobicContact CG-CD1 4.38Å
125S86.9Confident86.9Confident43 Ų4353.6 Ų53.630%0.30129%0.293SS..SBendtrans-66.7150.3177.971.40000111.2S121 T122 S127 F128 Y129S121-S125 PolarHBondContact O-N 2.93Å; T122-S125 WeakPolarHBondContact O-CB 3.46Å; T122-S125 PolarHBondContact O-N 3.49Å; T122-S125 VanDerWaalsContact O-N 3.15Å; T122-S125 PolarHBondContact O-OG 2.96Å; S125-S127 PolarHBondContact O-N 3.13Å; S125-S127 VanDerWaalsContact O-N 3.15Å; S125-F128 PolarHBondContact O-N 3.34Å; S125-F128 WeakPolarHBondContact OG-CD2 3.33Å; S125-Y129 WeakPolarHBondContact O-CB 3.49Å; S125-Y129 PolarHBondContact O-N 2.85Å
126N82.3Confident86.9Confident148 Ų14853.4 Ų53.479%0.79129%0.292SS*.Hα-helixtrans-58.2-33.4-172.7-75.9-18.3000113.7F128N126-F128 VanDerWaalsContact C-N 3.29Å; N126-F128 PolarHBondContact O-N 3.06Å
127S80.9Confident86.9Confident85 Ų8555 Ų5559%0.59430%0.3SS*.Hα-helixtrans-64.6-33.4179.4-52.90000112.6S125S125-S127 PolarHBondContact O-N 3.13Å; S125-S127 VanDerWaalsContact O-N 3.15Å
128F85.4Confident86.9Confident4 Ų459.4 Ų59.42%0.01831%0.314CS..Hα-helixtrans-104.6-33.7-173.7-71.1-77.7000113I80 V83 T84 P93 F94 T122 S125 N126 T130 A131 G132I80-F128 HydrophobicContact CG2-CZ 4.05Å; V83-F128 HydrophobicContact CB-CE1 3.69Å; V83-F128 HydrophobicContact CB-CZ 3.57Å; V83-F128 HydrophobicContact CG1-CD1 4.29Å; V83-F128 HydrophobicContact CG1-CE1 3.42Å; V83-F128 VanDerWaalsContact CG1-CE1 3.42Å; V83-F128 HydrophobicContact CG1-CE2 4.17Å; V83-F128 HydrophobicContact CG1-CZ 3.37Å; V83-F128 HydrophobicContact CG2-CE1 4.08Å; V83-F128 HydrophobicContact CG2-CZ 4.43Å; T84-F128 HydrophobicContact CG2-CE2 4.28Å; T84-F128 HydrophobicContact CG2-CZ 4.49Å; P93-F128 HydrophobicContact CG-CE1 4.21Å; F94-F128 HydrophobicContact CE2-CB 4.36Å; F94-F128 HydrophobicContact CE2-CD1 4.01Å; F94-F128 HydrophobicContact CZ-CB 4.05Å; F94-F128 HydrophobicContact CZ-CD1 4.18Å; T122-F128 HydrophobicContact CG2-CD2 4.28Å; T122-F128 HydrophobicContact CG2-CE2 4.16Å; S125-F128 PolarHBondContact O-N 3.34Å; S125-F128 WeakPolarHBondContact OG-CD2 3.33Å; N126-F128 VanDerWaalsContact C-N 3.29Å; N126-F128 PolarHBondContact O-N 3.06Å; F128-T130 PolarHBondContact O-N 2.86Å; F128-A131 PolarHBondContact O-N 3.04Å; F128-G132 WeakPolarHBondContact O-CA 3.42Å; F128-G132 PolarHBondContact O-N 3.13Å
129Y85.6Confident87Confident42 Ų4253.3 Ų53.317%0.16529%0.286CS..Hα-helixtrans-60.6-51.4-172.5-172.3-103.6000112.9W123 S125 A131 G132 K133 L166 P168 E171W123-Y129 WeakPolarHBondContact O-CA 3.31Å; W123-Y129 PolarHBondContact O-N 3.14Å; S125-Y129 WeakPolarHBondContact O-CB 3.49Å; S125-Y129 PolarHBondContact O-N 2.85Å; Y129-A131 VanDerWaalsContact C-N 3.35Å; Y129-A131 PolarHBondContact O-N 3.5Å; Y129-G132 PolarHBondContact O-N 3.1Å; Y129-K133 HydrophobicContact CD1-CD 4.48Å; Y129-K133 HydrophobicContact CE1-CD 4.06Å; Y129-K133 VanDerWaalsContact O-CB 3.24Å; Y129-K133 WeakPolarHBondContact O-CB 3.42Å; Y129-K133 WeakPolarHBondContact O-CG 3.45Å; Y129-K133 PolarHBondContact O-N 2.97Å; Y129-L166 HydrophobicContact CE2-CD1 4.44Å; Y129-P168 WeakPolarHBondContact OH-CD 3.35Å; Y129-E171 PolarHBondContact OH-OE2 3.12Å
130T84.8Confident87.1Confident108 Ų10852.5 Ų52.566%0.66328%0.282SS*.Hα-helixtrans-65.5-39.4-175.9-54.50000111.9F128F128-T130 PolarHBondContact O-N 2.86Å
131A83.8Confident87.3Confident32 Ų3255.3 Ų55.326%0.26430%0.297SS..Hα-helixtrans-78.4-34.4-179.700000112.7A90 T91 F128 Y129 Y135A90-A131 HydrophobicContact CB-CB 3.9Å; T91-A131 HydrophobicContact CG2-CB 4.14Å; F128-A131 PolarHBondContact O-N 3.04Å; Y129-A131 VanDerWaalsContact C-N 3.35Å; Y129-A131 PolarHBondContact O-N 3.5Å; A131-Y135 VanDerWaalsContact O-CD2 3.29Å; A131-Y135 WeakPolarHBondContact O-CD2 3.48Å; A131-Y135 WeakPolarHBondContact O-CE2 3.39Å
132G84.2Confident87.5Confident0 Ų053.5 Ų53.50%028%0.28CS..Hα-helixtrans-97.2-25.4-167.100000116.5F94 F128 Y129 N134 Y135 L136F94-G132 VanDerWaalsContact CD2-CA 3.43Å; F94-G132 VanDerWaalsContact CZ-CA 3.47Å; F128-G132 WeakPolarHBondContact O-CA 3.42Å; F128-G132 PolarHBondContact O-N 3.13Å; Y129-G132 PolarHBondContact O-N 3.1Å; G132-N134 VanDerWaalsContact C-N 3.29Å; G132-N134 PolarHBondContact O-N 3Å; G132-N134 VanDerWaalsContact O-N 3.14Å; G132-Y135 WeakPolarHBondContact O-CB 3.48Å; G132-Y135 PolarHBondContact O-N 3.14Å; G132-L136 PolarHBondContact O-N 3.42Å
133K86.4Confident87.7Confident55 Ų5551.8 Ų51.824%0.23927%0.269CS..Hα-helixtrans-56.7-37.8-168.967.1179.1-165.1157.90114.9Y129 L137 F167 E171Y129-K133 HydrophobicContact CD1-CD 4.48Å; Y129-K133 HydrophobicContact CE1-CD 4.06Å; Y129-K133 VanDerWaalsContact O-CB 3.24Å; Y129-K133 WeakPolarHBondContact O-CB 3.42Å; Y129-K133 WeakPolarHBondContact O-CG 3.45Å; Y129-K133 PolarHBondContact O-N 2.97Å; K133-L137 WeakPolarHBondContact O-CB 3.4Å; K133-L137 PolarHBondContact O-N 3.16Å; K133-F167 HydrophobicContact CB-CE1 4.02Å; K133-F167 HydrophobicContact CB-CZ 4.49Å; K133-E171 IonicContact NZ-OE1 3.81Å; K133-E171 PolarHBondContact NZ-OE1 2.99Å
134N89.1Confident87.8Confident80 Ų8053.3 Ų53.343%0.42828%0.278SS..Hα-helixtrans-73.4-32178.8-70.9-40.4000112G132 R138G132-N134 VanDerWaalsContact C-N 3.29Å; G132-N134 PolarHBondContact O-N 3Å; G132-N134 VanDerWaalsContact O-N 3.14Å; N134-R138 VanDerWaalsContact O-CG 3.31Å; N134-R138 WeakPolarHBondContact O-CG 3.31Å; N134-R138 PolarHBondContact O-N 3.28Å
135Y90.4Very high87.9Confident68 Ų6858.1 Ų58.127%0.26729%0.293SS..Hα-helixtrans-70-46175-65.9-74.2000110.5T91 F94 L95 A131 G132 L137 R138 M139T91-Y135 HydrophobicContact CG2-CE2 3.83Å; F94-Y135 HydrophobicContact CB-CD2 4.24Å; F94-Y135 HydrophobicContact CB-CG 4.07Å; L95-Y135 HydrophobicContact CD2-CD1 4Å; L95-Y135 HydrophobicContact CD2-CE1 3.55Å; L95-Y135 HydrophobicContact CG-CE1 4.26Å; A131-Y135 VanDerWaalsContact O-CD2 3.29Å; A131-Y135 WeakPolarHBondContact O-CD2 3.48Å; A131-Y135 WeakPolarHBondContact O-CE2 3.39Å; G132-Y135 WeakPolarHBondContact O-CB 3.48Å; G132-Y135 PolarHBondContact O-N 3.14Å; Y135-L137 VanDerWaalsContact C-N 3.29Å; Y135-L137 PolarHBondContact O-N 3.43Å; Y135-R138 PolarHBondContact O-N 3.25Å; Y135-R138 VanDerWaalsContact O-N 3.13Å; Y135-M139 WeakPolarHBondContact O-CG 3.23Å; Y135-M139 PolarHBondContact O-N 3.04Å
136L90.8Very high88Confident3 Ų360.5 Ų60.52%0.01630%0.296CS..Hα-helixtrans-55.9-44.5173.8-71.2168.2000111.5F94 V116 W123 G132 R138 M139 C140 F162 L166F94-L136 HydrophobicContact CD1-CD1 4.38Å; F94-L136 HydrophobicContact CD1-CD2 4.1Å; F94-L136 HydrophobicContact CD1-CG 3.9Å; F94-L136 HydrophobicContact CE1-CD1 3.79Å; F94-L136 HydrophobicContact CE1-CD2 4.12Å; F94-L136 HydrophobicContact CE1-CG 3.83Å; V116-L136 HydrophobicContact CG1-CD2 4.41Å; W123-L136 HydrophobicContact CB-CD1 4.21Å; W123-L136 HydrophobicContact CG-CD1 4.46Å; G132-L136 PolarHBondContact O-N 3.42Å; L136-R138 PolarHBondContact O-N 3.03Å; L136-M139 HydrophobicContact CB-CE 4.45Å; L136-M139 HydrophobicContact CD2-CE 3.62Å; L136-M139 HydrophobicContact CG-CE 4.16Å; L136-C140 WeakPolarHBondContact O-CB 3.5Å; L136-C140 PolarHBondContact O-N 3.3Å; L136-C140 PolarHBondContact O-SG 3.47Å; L136-F162 HydrophobicContact CD2-CE1 4.3Å; L136-F162 HydrophobicContact CD2-CZ 4.21Å; L136-L166 HydrophobicContact CB-CD2 3.88Å; L136-L166 HydrophobicContact CD1-CD1 4.05Å; L136-L166 HydrophobicContact CD1-CD2 3.55Å; L136-L166 HydrophobicContact CD1-CG 4.46Å; L136-L166 HydrophobicContact CG-CD2 4.34Å
137L90.4Very high88.2Confident39 Ų3953.9 Ų53.920%0.20426%0.26CS..Hα-helixtrans-62.1-43.1176.4-175.463.8000112.5K133 Y135 N141 L163 F167K133-L137 WeakPolarHBondContact O-CB 3.4Å; K133-L137 PolarHBondContact O-N 3.16Å; Y135-L137 VanDerWaalsContact C-N 3.29Å; Y135-L137 PolarHBondContact O-N 3.43Å; L137-N141 WeakPolarHBondContact O-CB 3.4Å; L137-N141 VanDerWaalsContact O-CG 3.24Å; L137-N141 PolarHBondContact O-N 2.86Å; L137-N141 PolarHBondContact O-ND2 2.88Å; L137-L163 HydrophobicContact CD1-CD2 4.12Å; L137-F167 HydrophobicContact CB-CE2 4.46Å; L137-F167 HydrophobicContact CB-CZ 4.17Å; L137-F167 HydrophobicContact CD1-CE2 4.03Å; L137-F167 HydrophobicContact CD1-CZ 4.45Å
138R90.7Very high88.1Confident141 Ų14152 Ų5253%0.53225%0.247SC..Hα-helixtrans-64.6-51.6177.4-74.5176.1-167.5145.70.7111.4N134 Y135 L136 C140 N141 D142N134-R138 VanDerWaalsContact O-CG 3.31Å; N134-R138 WeakPolarHBondContact O-CG 3.31Å; N134-R138 PolarHBondContact O-N 3.28Å; Y135-R138 PolarHBondContact O-N 3.25Å; Y135-R138 VanDerWaalsContact O-N 3.13Å; L136-R138 PolarHBondContact O-N 3.03Å; R138-C140 VanDerWaalsContact C-N 3.3Å; R138-C140 PolarHBondContact O-N 3.35Å; R138-N141 PolarHBondContact O-N 3.01Å; R138-D142 PolarHBondContact O-N 2.78Å
139M92Very high87.5Confident20 Ų2059.5 Ų59.510%0.09928%0.279CS..Hα-helixtrans-54.6-46.1178.3-68.8-175.2-64.100111.7F94 L97 G98 L101 Y135 L136 N141 D142 L143F94-M139 HydrophobicContact CD1-CE 4.5Å; L97-M139 HydrophobicContact CB-CE 4.4Å; L97-M139 HydrophobicContact CB-SD 3.92Å; G98-M139 WeakPolarHBondContact CA-SD 3.37Å; G98-M139 PolarHBondContact N-SD 3.1Å; L101-M139 HydrophobicContact CD1-CB 4.36Å; L101-M139 HydrophobicContact CD1-SD 4.23Å; Y135-M139 WeakPolarHBondContact O-CG 3.23Å; Y135-M139 PolarHBondContact O-N 3.04Å; L136-M139 HydrophobicContact CB-CE 4.45Å; L136-M139 HydrophobicContact CD2-CE 3.62Å; L136-M139 HydrophobicContact CG-CE 4.16Å; M139-N141 PolarHBondContact O-N 3.16Å; M139-D142 PolarHBondContact O-N 3.28Å; M139-L143 WeakPolarHBondContact O-CB 3.22Å; M139-L143 WeakPolarHBondContact O-CG 3.42Å; M139-L143 PolarHBondContact O-N 3.14Å
140C92Very high86.8Confident3 Ų362 Ų622%0.0230%0.303CS..Hα-helixtrans-64.5-41.4177.7-66.50000112.2L136 R138 L144 I159 L163L136-C140 WeakPolarHBondContact O-CB 3.5Å; L136-C140 PolarHBondContact O-N 3.3Å; L136-C140 PolarHBondContact O-SG 3.47Å; R138-C140 VanDerWaalsContact C-N 3.3Å; R138-C140 PolarHBondContact O-N 3.35Å; C140-L144 WeakPolarHBondContact O-CB 3.29Å; C140-L144 VanDerWaalsContact O-CG 3.25Å; C140-L144 WeakPolarHBondContact O-CG 3.48Å; C140-L144 PolarHBondContact O-N 3.21Å; C140-I159 HydrophobicContact CB-CG2 3.6Å; C140-L163 HydrophobicContact CB-CD1 3.76Å; C140-L163 HydrophobicContact CB-CD2 3.78Å; C140-L163 HydrophobicContact CB-CG 3.94Å
141N90.4Very high86.3Confident65 Ų6564.4 Ų64.435%0.34831%0.307SS..Hα-helixtrans-66.9-37.3177.2-76.4-38.4000112.6L137 R138 M139 L144 R145L137-N141 WeakPolarHBondContact O-CB 3.4Å; L137-N141 VanDerWaalsContact O-CG 3.24Å; L137-N141 PolarHBondContact O-N 2.86Å; L137-N141 PolarHBondContact O-ND2 2.88Å; R138-N141 PolarHBondContact O-N 3.01Å; M139-N141 PolarHBondContact O-N 3.16Å; N141-L144 PolarHBondContact O-N 2.8Å; N141-R145 VanDerWaalsContact O-CG 3.31Å; N141-R145 WeakPolarHBondContact O-CG 3.22Å; N141-R145 PolarHBondContact O-N 3.06Å
142D91.2Very high86.2Confident52 Ų5265.2 Ų65.228%0.27831%0.307SS..Hα-helixtrans-72.7-37.1178.9-66.1-32.7000111.1R138 M139 R145 R146R138-D142 PolarHBondContact O-N 2.78Å; M139-D142 PolarHBondContact O-N 3.28Å; D142-R145 PolarHBondContact O-N 3.39Å; D142-R145 IonicContact OD1-NH1 3.75Å; D142-R145 PolarHBondContact OD1-NH1 3.36Å; D142-R146 WeakPolarHBondContact O-CG 3.46Å; D142-R146 PolarHBondContact O-N 3.49Å
143L90.8Very high86.3Confident2 Ų268.3 Ų68.31%0.0133%0.326CS..Hα-helixtrans-59.3-49.4166.7-74.7176.4000111.5L101 C109 F113 M139 R145 R146 L147 F155 I159L101-L143 HydrophobicContact CD1-CD1 4.1Å; L101-L143 HydrophobicContact CD2-CD1 4.39Å; L101-L143 HydrophobicContact CD2-CD2 4.49Å; C109-L143 HydrophobicContact CB-CD2 4.26Å; F113-L143 HydrophobicContact CD2-CD1 4.06Å; F113-L143 HydrophobicContact CE2-CD1 4.4Å; M139-L143 WeakPolarHBondContact O-CB 3.22Å; M139-L143 WeakPolarHBondContact O-CG 3.42Å; M139-L143 PolarHBondContact O-N 3.14Å; L143-R145 PolarHBondContact O-N 3.2Å; L143-R146 PolarHBondContact O-N 3.36Å; L143-L147 WeakPolarHBondContact O-CB 3.27Å; L143-L147 WeakPolarHBondContact O-CG 3.32Å; L143-L147 PolarHBondContact O-N 3.35Å; L143-F155 HydrophobicContact CD1-CZ 4.46Å; L143-I159 HydrophobicContact CB-CD1 3.82Å; L143-I159 HydrophobicContact CD1-CD1 4.12Å
144L89.5Confident86.3Confident33 Ų3371.1 Ų71.117%0.17335%0.347CS..Hα-helixtrans-60.9-26.9178.3-73.5171.8000113.4C140 N141 C156 I159C140-L144 WeakPolarHBondContact O-CB 3.29Å; C140-L144 VanDerWaalsContact O-CG 3.25Å; C140-L144 WeakPolarHBondContact O-CG 3.48Å; C140-L144 PolarHBondContact O-N 3.21Å; N141-L144 PolarHBondContact O-N 2.8Å; L144-C156 HydrophobicContact CD2-CB 3.91Å; L144-I159 HydrophobicContact CD1-CG2 4.17Å; L144-I159 HydrophobicContact CD2-CB 4.35Å; L144-I159 HydrophobicContact CD2-CD1 4.39Å; L144-I159 HydrophobicContact CD2-CG2 4.29Å; L144-I159 HydrophobicContact CG-CG2 4Å
145R88.7Confident86.3Confident197 Ų19768 Ų6874%0.74333%0.33SS*.Hα-helixtrans-78-34.4173.6-74.7168.2178.7169.4-4.7112.9N141 D142 L143N141-R145 VanDerWaalsContact O-CG 3.31Å; N141-R145 WeakPolarHBondContact O-CG 3.22Å; N141-R145 PolarHBondContact O-N 3.06Å; D142-R145 PolarHBondContact O-N 3.39Å; D142-R145 IonicContact OD1-NH1 3.75Å; D142-R145 PolarHBondContact OD1-NH1 3.36Å; L143-R145 PolarHBondContact O-N 3.2Å
146R88.4Confident86.3Confident94 Ų9465.4 Ų65.436%0.35532%0.322SS..Hα-helixtrans-78.7-28.6178.7-73170.162.6-158.2-0.9112.7L101 D102 L104 D142 L143L101-R146 PolarHBondContact O-NH1 3.5Å; L101-R146 PolarHBondContact O-NH2 2.9Å; D102-R146 IonicContact OD1-NH1 3.72Å; L104-R146 PolarHBondContact O-NH2 3.32Å; D142-R146 WeakPolarHBondContact O-CG 3.46Å; D142-R146 PolarHBondContact O-N 3.49Å; L143-R146 PolarHBondContact O-N 3.36Å
147L86.6Confident86.3Confident9 Ų966.5 Ų66.55%0.04733%0.334CS..SBendtrans-73.8137.1-178.2-71.3168.9000112.4L106 L143 K149 N152 F155 I159L106-L147 HydrophobicContact CD1-CD2 4.04Å; L106-L147 HydrophobicContact CD2-CD2 3.7Å; L106-L147 HydrophobicContact CD2-CG 4.43Å; L106-L147 HydrophobicContact CG-CD2 4.34Å; L143-L147 WeakPolarHBondContact O-CB 3.27Å; L143-L147 WeakPolarHBondContact O-CG 3.32Å; L143-L147 PolarHBondContact O-N 3.35Å; L147-K149 PolarHBondContact O-N 2.93Å; L147-N152 HydrophobicContact CB-CB 4.46Å; L147-N152 HydrophobicContact CD2-CB 3.82Å; L147-F155 HydrophobicContact CD1-CD1 3.5Å; L147-F155 VanDerWaalsContact CD1-CD1 3.5Å; L147-F155 HydrophobicContact CD1-CE1 3.83Å; L147-F155 HydrophobicContact CD1-CG 4.16Å; L147-F155 HydrophobicContact CD2-CD1 3.44Å; L147-F155 VanDerWaalsContact CD2-CD1 3.44Å; L147-F155 HydrophobicContact CD2-CE1 3.85Å; L147-F155 HydrophobicContact CG-CD1 4.1Å; L147-F155 HydrophobicContact CG-CE1 4.36Å; L147-I159 HydrophobicContact CD1-CD1 3.52Å
148S79.4Confident86.4Confident46 Ų4667.4 Ų67.432%0.32233%0.334SS..  trans-69.8127167.8179.10000110.3S150 N152S148-S150 PolarHBondContact O-N 3.25Å; S148-S150 PolarHBondContact OG-N 3.02Å; S148-S150 PolarHBondContact OG-OG 3.36Å; S148-N152 PolarHBondContact O-N 3.37Å; S148-N152 VanDerWaalsContact O-N 3.16Å
149K72.3Confident86.5Confident160 Ų16060.7 Ų60.770%0.69631%0.309SS*.THydrogen-bonded Turntrans-75-1.3178.2-63-179-178.2175.30113.7L147 T153L147-K149 PolarHBondContact O-N 2.93Å; K149-T153 WeakPolarHBondContact O-CG2 3.47Å
150S70.4Confident86.4Confident94 Ų9465.3 Ų65.366%0.65733%0.33SS*.THydrogen-bonded Turntrans-103.5-41.6177.755.60000113.3S148S148-S150 PolarHBondContact O-N 3.25Å; S148-S150 PolarHBondContact OG-N 3.02Å; S148-S150 PolarHBondContact OG-OG 3.36Å
151Q75.1Confident86.4Confident160 Ų16071.2 Ų71.275%0.74836%0.361SS*.THydrogen-bonded Turntrans-96.2-38.2-175.9-69.2172-12.500112.5T153Q151-T153 PolarHBondContact O-N 3.39Å
152N82.1Confident86.5Confident48 Ų4868.4 Ų68.426%0.25735%0.346SS..  trans-103.940.8-172-60.1-27.1000112.1L147 S148 F155 C156L147-N152 HydrophobicContact CB-CB 4.46Å; L147-N152 HydrophobicContact CD2-CB 3.82Å; S148-N152 PolarHBondContact O-N 3.37Å; S148-N152 VanDerWaalsContact O-N 3.16Å; N152-F155 PolarHBondContact O-N 3.28Å; N152-C156 PolarHBondContact O-N 3.48Å; N152-C156 PolarHBondContact O-SG 3.4Å
153T85.3Confident86.4Confident66 Ų6667 Ų6741%0.40534%0.338SS..Hα-helixtrans-66-38.9-177.953.50000112K149 Q151 C156 G157K149-T153 WeakPolarHBondContact O-CG2 3.47Å; Q151-T153 PolarHBondContact O-N 3.39Å; T153-C156 PolarHBondContact O-N 3.26Å; T153-G157 PolarHBondContact O-N 2.91Å
154V87.6Confident86.2Confident113 Ų11370.4 Ų70.469%0.68537%0.367SS*.Hα-helixtrans-62-47.1176.8-1800000110.7G157 R158V154-G157 WeakPolarHBondContact O-CA 3.35Å; V154-G157 PolarHBondContact O-N 3.39Å; V154-G157 VanDerWaalsContact O-N 3.13Å; V154-R158 PolarHBondContact O-N 3.16Å
155F88.9Confident86.2Confident14 Ų1476.3 Ų76.36%0.06139%0.387CS..Hα-helixtrans-67.4-39.7179.2-174.3-146.4000112.1D110 F113 L143 L147 N152 G157 R158 I159D110-F155 HydrophobicContact CB-CE1 4.42Å; D110-F155 HydrophobicContact CB-CE2 4.4Å; D110-F155 HydrophobicContact CB-CZ 4.34Å; D110-F155 WeakPolarHBondContact OD1-CD2 3.39Å; D110-F155 WeakPolarHBondContact OD1-CE2 3.47Å; F113-F155 HydrophobicContact CB-CE2 3.62Å; F113-F155 HydrophobicContact CB-CZ 3.93Å; F113-F155 AromaticContact CD1-CE2 3.8Å; F113-F155 HydrophobicContact CD1-CE2 3.8Å; F113-F155 HydrophobicContact CD2-CE2 4.45Å; F113-F155 AromaticContact CG-CE2 3.69Å; F113-F155 HydrophobicContact CG-CE2 3.69Å; F113-F155 HydrophobicContact CG-CZ 4.19Å; L143-F155 HydrophobicContact CD1-CZ 4.46Å; L147-F155 HydrophobicContact CD1-CD1 3.5Å; L147-F155 VanDerWaalsContact CD1-CD1 3.5Å; L147-F155 HydrophobicContact CD1-CE1 3.83Å; L147-F155 HydrophobicContact CD1-CG 4.16Å; L147-F155 HydrophobicContact CD2-CD1 3.44Å; L147-F155 VanDerWaalsContact CD2-CD1 3.44Å; L147-F155 HydrophobicContact CD2-CE1 3.85Å; L147-F155 HydrophobicContact CG-CD1 4.1Å; L147-F155 HydrophobicContact CG-CE1 4.36Å; N152-F155 PolarHBondContact O-N 3.28Å; F155-G157 VanDerWaalsContact C-N 3.27Å; F155-G157 PolarHBondContact O-N 3.46Å; F155-R158 HydrophobicContact CD2-CB 4.49Å; F155-R158 WeakPolarHBondContact O-CB 3.5Å; F155-R158 PolarHBondContact O-N 2.85Å; F155-I159 HydrophobicContact CD1-CD1 4.49Å; F155-I159 HydrophobicContact CD2-CD1 4.3Å; F155-I159 HydrophobicContact CD2-CG1 4.29Å; F155-I159 HydrophobicContact CE1-CD1 4.25Å; F155-I159 HydrophobicContact CE2-CD1 4.05Å; F155-I159 HydrophobicContact CE2-CG1 4.03Å; F155-I159 HydrophobicContact CG-CD1 4.49Å; F155-I159 HydrophobicContact CZ-CD1 4.02Å; F155-I159 HydrophobicContact CZ-CG1 4.43Å; F155-I159 WeakPolarHBondContact O-CG1 3.48Å; F155-I159 PolarHBondContact O-N 2.84Å
156C89.9Confident86.1Confident15 Ų1567 Ų6710%0.10135%0.352CS..Hα-helixtrans-56.2-42.3169.4-69.50000112.1L144 N152 T153 I159 Q160L144-C156 HydrophobicContact CD2-CB 3.91Å; N152-C156 PolarHBondContact O-N 3.48Å; N152-C156 PolarHBondContact O-SG 3.4Å; T153-C156 PolarHBondContact O-N 3.26Å; C156-I159 PolarHBondContact O-N 2.73Å; C156-Q160 WeakPolarHBondContact O-CG 3.38Å; C156-Q160 PolarHBondContact O-N 3.14Å; C156-Q160 VanDerWaalsContact O-N 3.09Å
157G90.5Very high85.8Confident26 Ų2663.3 Ų63.327%0.26834%0.338SS..Hα-helixtrans-63.7-44.6177.500000112.7T153 V154 F155 I159 Q160 L161T153-G157 PolarHBondContact O-N 2.91Å; V154-G157 WeakPolarHBondContact O-CA 3.35Å; V154-G157 PolarHBondContact O-N 3.39Å; V154-G157 VanDerWaalsContact O-N 3.13Å; F155-G157 VanDerWaalsContact C-N 3.27Å; F155-G157 PolarHBondContact O-N 3.46Å; G157-I159 VanDerWaalsContact C-N 3.35Å; G157-I159 PolarHBondContact O-N 2.9Å; G157-Q160 PolarHBondContact O-N 2.95Å; G157-L161 WeakPolarHBondContact O-CG 3.49Å; G157-L161 PolarHBondContact O-N 3.4Å
158R93.1Very high85.6Confident57 Ų5766 Ų6622%0.21536%0.356CS..Hα-helixtrans-56-47173.6-75.1177.463.6-176.811.3112.1D110 S114 E117 V154 F155 Q160 L161 F162D110-R158 IonicContact OD1-CZ 3.67Å; D110-R158 IonicContact OD1-NH1 3.29Å; D110-R158 PolarHBondContact OD1-NH1 3.36Å; D110-R158 IonicContact OD2-NH1 2.78Å; S114-R158 PolarHBondContact OG-NH2 3.24Å; E117-R158 WeakPolarHBondContact OE1-CB 3.45Å; E117-R158 IonicContact OE1-NE 3.6Å; E117-R158 PolarHBondContact OE1-NE 2.93Å; E117-R158 IonicContact OE1-NH2 2.69Å; E117-R158 IonicContact OE2-CZ 3.92Å; E117-R158 IonicContact OE2-NE 2.76Å; E117-R158 PolarHBondContact OE2-NE 3.28Å; E117-R158 IonicContact OE2-NH2 3.4Å; E117-R158 PolarHBondContact OE2-NH2 3.3Å; V154-R158 PolarHBondContact O-N 3.16Å; F155-R158 HydrophobicContact CD2-CB 4.49Å; F155-R158 WeakPolarHBondContact O-CB 3.5Å; F155-R158 PolarHBondContact O-N 2.85Å; R158-Q160 VanDerWaalsContact C-N 3.34Å; R158-Q160 PolarHBondContact O-N 3.41Å; R158-L161 PolarHBondContact O-N 3.47Å; R158-F162 WeakPolarHBondContact O-CB 3.41Å; R158-F162 PolarHBondContact O-N 3.41Å
159I92.2Very high85.5Confident0 Ų069.5 Ų69.50%037%0.37CS..Hα-helixtrans-59.7-44.4176.9-65.4165000111.5F113 C140 L143 L144 L147 F155 C156 G157 F162 L163F113-I159 HydrophobicContact CD1-CG1 4.33Å; F113-I159 HydrophobicContact CD2-CG1 4.35Å; F113-I159 HydrophobicContact CE1-CB 4.43Å; F113-I159 HydrophobicContact CE1-CG1 3.87Å; F113-I159 HydrophobicContact CE2-CG1 3.9Å; F113-I159 HydrophobicContact CZ-CB 4.06Å; F113-I159 HydrophobicContact CZ-CG1 3.66Å; F113-I159 HydrophobicContact CZ-CG2 4.34Å; C140-I159 HydrophobicContact CB-CG2 3.6Å; L143-I159 HydrophobicContact CB-CD1 3.82Å; L143-I159 HydrophobicContact CD1-CD1 4.12Å; L144-I159 HydrophobicContact CD1-CG2 4.17Å; L144-I159 HydrophobicContact CD2-CB 4.35Å; L144-I159 HydrophobicContact CD2-CD1 4.39Å; L144-I159 HydrophobicContact CD2-CG2 4.29Å; L144-I159 HydrophobicContact CG-CG2 4Å; L147-I159 HydrophobicContact CD1-CD1 3.52Å; F155-I159 HydrophobicContact CD1-CD1 4.49Å; F155-I159 HydrophobicContact CD2-CD1 4.3Å; F155-I159 HydrophobicContact CD2-CG1 4.29Å; F155-I159 HydrophobicContact CE1-CD1 4.25Å; F155-I159 HydrophobicContact CE2-CD1 4.05Å; F155-I159 HydrophobicContact CE2-CG1 4.03Å; F155-I159 HydrophobicContact CG-CD1 4.49Å; F155-I159 HydrophobicContact CZ-CD1 4.02Å; F155-I159 HydrophobicContact CZ-CG1 4.43Å; F155-I159 WeakPolarHBondContact O-CG1 3.48Å; F155-I159 PolarHBondContact O-N 2.84Å; C156-I159 PolarHBondContact O-N 2.73Å; G157-I159 VanDerWaalsContact C-N 3.35Å; G157-I159 PolarHBondContact O-N 2.9Å; I159-F162 PolarHBondContact O-N 3.33Å; I159-L163 HydrophobicContact CG2-CD1 4.32Å; I159-L163 WeakPolarHBondContact O-CG 3.43Å; I159-L163 PolarHBondContact O-N 3.38Å
160Q90.2Very high85.6Confident118 Ų11864 Ų6455%0.55135%0.352SS*.Hα-helixtrans-66.2-40.3178.1-70.8177.81.300112.5C156 G157 R158 F162 L163 A164C156-Q160 WeakPolarHBondContact O-CG 3.38Å; C156-Q160 PolarHBondContact O-N 3.14Å; C156-Q160 VanDerWaalsContact O-N 3.09Å; G157-Q160 PolarHBondContact O-N 2.95Å; R158-Q160 VanDerWaalsContact C-N 3.34Å; R158-Q160 PolarHBondContact O-N 3.41Å; Q160-F162 VanDerWaalsContact C-N 3.34Å; Q160-L163 PolarHBondContact O-N 3.47Å; Q160-A164 WeakPolarHBondContact O-CB 3.44Å; Q160-A164 PolarHBondContact O-N 3.03Å
161L91.4Very high86.1Confident127 Ų12760.8 Ų60.867%0.66533%0.327SS*.Hα-helixtrans-63.7-40.4174.9-72.8173.3000111.6G157 R158 A164 R165G157-L161 WeakPolarHBondContact O-CG 3.49Å; G157-L161 PolarHBondContact O-N 3.4Å; R158-L161 PolarHBondContact O-N 3.47Å; L161-A164 PolarHBondContact O-N 3.19Å; L161-R165 WeakPolarHBondContact O-CB 3.42Å; L161-R165 PolarHBondContact O-N 2.93Å
162F92Very high86.2Confident6 Ų660.8 Ų60.83%0.02632%0.324CS..Hα-helixtrans-60.9-47.6173.6172.6-97000111.6F113 V116 E117 V120 L136 R158 I159 Q160 A164 R165 L166F113-F162 HydrophobicContact CE1-CB 3.96Å; F113-F162 HydrophobicContact CE1-CG 4.35Å; F113-F162 HydrophobicContact CE2-CD1 4.4Å; F113-F162 HydrophobicContact CZ-CB 3.7Å; F113-F162 AromaticContact CZ-CD1 3.85Å; F113-F162 HydrophobicContact CZ-CD1 3.85Å; F113-F162 AromaticContact CZ-CG 3.79Å; F113-F162 HydrophobicContact CZ-CG 3.79Å; V116-F162 HydrophobicContact CG1-CD2 4.48Å; V116-F162 HydrophobicContact CG1-CE1 4.08Å; V116-F162 HydrophobicContact CG1-CE2 3.69Å; V116-F162 HydrophobicContact CG1-CZ 3.47Å; V116-F162 VanDerWaalsContact CG1-CZ 3.47Å; V116-F162 WeakPolarHBondContact O-CE2 3.27Å; E117-F162 HydrophobicContact CG-CB 4.48Å; E117-F162 HydrophobicContact CG-CD2 4.18Å; V120-F162 HydrophobicContact CG2-CD2 3.82Å; V120-F162 HydrophobicContact CG2-CE2 3.51Å; L136-F162 HydrophobicContact CD2-CE1 4.3Å; L136-F162 HydrophobicContact CD2-CZ 4.21Å; R158-F162 WeakPolarHBondContact O-CB 3.41Å; R158-F162 PolarHBondContact O-N 3.41Å; I159-F162 PolarHBondContact O-N 3.33Å; Q160-F162 VanDerWaalsContact C-N 3.34Å; F162-A164 VanDerWaalsContact C-N 3.34Å; F162-A164 PolarHBondContact O-N 3Å; F162-R165 PolarHBondContact O-N 3.49Å; F162-R165 VanDerWaalsContact O-N 3.13Å; F162-L166 HydrophobicContact CE1-CD2 4.25Å; F162-L166 WeakPolarHBondContact O-CB 3.38Å; F162-L166 PolarHBondContact O-N 3.42Å
163L89.5Confident85.8Confident23 Ų2361.8 Ų61.812%0.1234%0.335CS..Hα-helixtrans-60.4-43.1176.7-72.5171.6000111.9L137 C140 I159 Q160 R165 L166 F167L137-L163 HydrophobicContact CD1-CD2 4.12Å; C140-L163 HydrophobicContact CB-CD1 3.76Å; C140-L163 HydrophobicContact CB-CD2 3.78Å; C140-L163 HydrophobicContact CB-CG 3.94Å; I159-L163 HydrophobicContact CG2-CD1 4.32Å; I159-L163 WeakPolarHBondContact O-CG 3.43Å; I159-L163 PolarHBondContact O-N 3.38Å; Q160-L163 PolarHBondContact O-N 3.47Å; L163-R165 VanDerWaalsContact C-N 3.29Å; L163-R165 PolarHBondContact O-N 2.75Å; L163-L166 PolarHBondContact O-N 3.17Å; L163-F167 HydrophobicContact CD2-CD2 4.38Å; L163-F167 HydrophobicContact CD2-CE2 3.8Å; L163-F167 VanDerWaalsContact O-CD2 3.31Å; L163-F167 WeakPolarHBondContact O-CD2 3.37Å; L163-F167 PolarHBondContact O-N 3.46Å
164A88.3Confident85.4Confident73 Ų7361.2 Ų61.260%0.60334%0.343SS*.Hα-helixtrans-65.2-3217600000112.5Q160 L161 F162Q160-A164 WeakPolarHBondContact O-CB 3.44Å; Q160-A164 PolarHBondContact O-N 3.03Å; L161-A164 PolarHBondContact O-N 3.19Å; F162-A164 VanDerWaalsContact C-N 3.34Å; F162-A164 PolarHBondContact O-N 3Å
165R88.4Confident85Confident157 Ų15757.5 Ų57.559%0.59232%0.319SS*.Hα-helixtrans-75-37174.7-173.7177.6179.6177.9-2111.9V120 K124 L161 F162 L163V120-R165 HydrophobicContact CG1-CG 4.21Å; K124-R165 WeakPolarHBondContact CE-O 3.32Å; K124-R165 PolarHBondContact NZ-O 2.91Å; L161-R165 WeakPolarHBondContact O-CB 3.42Å; L161-R165 PolarHBondContact O-N 2.93Å; F162-R165 PolarHBondContact O-N 3.49Å; F162-R165 VanDerWaalsContact O-N 3.13Å; L163-R165 VanDerWaalsContact C-N 3.29Å; L163-R165 PolarHBondContact O-N 2.75Å
166L85.9Confident84.8Confident2 Ų260.7 Ų60.71%0.0134%0.336CS..Hα-helixtrans-70-48.7-177.4-17869.5000111.5W123 K124 Y129 L136 F162 L163W123-L166 HydrophobicContact CB-CD1 4.22Å; K124-L166 HydrophobicContact CG-CD1 4.38Å; Y129-L166 HydrophobicContact CE2-CD1 4.44Å; L136-L166 HydrophobicContact CB-CD2 3.88Å; L136-L166 HydrophobicContact CD1-CD1 4.05Å; L136-L166 HydrophobicContact CD1-CD2 3.55Å; L136-L166 HydrophobicContact CD1-CG 4.46Å; L136-L166 HydrophobicContact CG-CD2 4.34Å; F162-L166 HydrophobicContact CE1-CD2 4.25Å; F162-L166 WeakPolarHBondContact O-CB 3.38Å; F162-L166 PolarHBondContact O-N 3.42Å; L163-L166 PolarHBondContact O-N 3.17Å
167F83.9Confident84.3Confident16 Ų1662.1 Ų62.17%0.0734%0.343CS..SBendtrans-88.5132-174.1-67.4-60.2000112.3K133 L137 L163 E171K133-F167 HydrophobicContact CB-CE1 4.02Å; K133-F167 HydrophobicContact CB-CZ 4.49Å; L137-F167 HydrophobicContact CB-CE2 4.46Å; L137-F167 HydrophobicContact CB-CZ 4.17Å; L137-F167 HydrophobicContact CD1-CE2 4.03Å; L137-F167 HydrophobicContact CD1-CZ 4.45Å; L163-F167 HydrophobicContact CD2-CD2 4.38Å; L163-F167 HydrophobicContact CD2-CE2 3.8Å; L163-F167 VanDerWaalsContact O-CD2 3.31Å; L163-F167 WeakPolarHBondContact O-CD2 3.37Å; L163-F167 PolarHBondContact O-N 3.46Å; F167-E171 HydrophobicContact CB-CB 4.33Å; F167-E171 HydrophobicContact CD1-CG 4.13Å; F167-E171 VanDerWaalsContact CD1-OE2 3.22Å; F167-E171 WeakPolarHBondContact CD1-OE2 3.46Å
168P81.4Confident83.7Confident66 Ų6666.6 Ų66.643%0.42936%0.357SS..  trans-57.4148.6167.6-22.832.9000111.5Y129 S170 E171Y129-P168 WeakPolarHBondContact OH-CD 3.35Å; P168-S170 PolarHBondContact O-N 2.84Å; P168-E171 WeakPolarHBondContact O-CB 3.41Å; P168-E171 PolarHBondContact O-N 3.21Å
169L76.6Confident83.2Confident118 Ų11865 Ų6562%0.61835%0.354SS*.THydrogen-bonded Turntrans-57.4-24.2178.8-71.5170000113.9L175L169-L175 WeakPolarHBondContact O-CD1 3.42Å
170S74.9Confident82.8Confident44 Ų4471 Ų7131%0.30838%0.382SS..THydrogen-bonded Turntrans-84.9-6.1177.452.10000113.7P168 K172P168-S170 PolarHBondContact O-N 2.84Å; S170-K172 PolarHBondContact O-N 2.87Å
171E80.4Confident82.6Confident27 Ų2768.9 Ų68.913%0.12637%0.371CS..  trans-74.4121.4179.7-174.3147.5-172.600110.9Y129 K133 F167 P168 S173 G174Y129-E171 PolarHBondContact OH-OE2 3.12Å; K133-E171 IonicContact NZ-OE1 3.81Å; K133-E171 PolarHBondContact NZ-OE1 2.99Å; F167-E171 HydrophobicContact CB-CB 4.33Å; F167-E171 HydrophobicContact CD1-CG 4.13Å; F167-E171 VanDerWaalsContact CD1-OE2 3.22Å; F167-E171 WeakPolarHBondContact CD1-OE2 3.46Å; P168-E171 WeakPolarHBondContact O-CB 3.41Å; P168-E171 PolarHBondContact O-N 3.21Å; E171-S173 PolarHBondContact O-N 3.45Å; E171-S173 VanDerWaalsContact O-N 3.1Å; E171-G174 PolarHBondContact O-N 3.08Å
172K77.4Confident82.3Confident160 Ų16067.9 Ų67.970%0.69637%0.367SS*.G310 helixtrans-57.3-30.7-175.4-59.5-175.9179.6175.90113.4S170 G174 L175 L177S170-K172 PolarHBondContact O-N 2.87Å; K172-G174 VanDerWaalsContact C-N 3.27Å; K172-G174 PolarHBondContact O-N 3.33Å; K172-L175 PolarHBondContact O-N 3.04Å; K172-L177 HydrophobicContact CB-CD1 3.95Å; K172-L177 HydrophobicContact CD-CD1 4.25Å; K172-L177 HydrophobicContact CG-CD1 3.95Å
173S74.4Confident82Confident69 Ų6971.1 Ų71.148%0.48338%0.384SS..G310 helixtrans-67.2-26.3179.8-50.80000113.2E171E171-S173 PolarHBondContact O-N 3.45Å; E171-S173 VanDerWaalsContact O-N 3.1Å
174G75.8Confident81.5Confident55 Ų5576.4 Ų76.457%0.56741%0.412SS*.G310 helixtrans-90.40.3176.900000113.8E171 K172E171-G174 PolarHBondContact O-N 3.08Å; K172-G174 VanDerWaalsContact C-N 3.27Å; K172-G174 PolarHBondContact O-N 3.33Å
175L79.8Confident81.1Confident35 Ų3576.8 Ų76.818%0.18340%0.404CS..SBendtrans-119.8129.2-173-65.4170.2000110.9L169 K172 L177 W394 C399L169-L175 WeakPolarHBondContact O-CD1 3.42Å; K172-L175 PolarHBondContact O-N 3.04Å; L175-L177 HydrophobicContact CB-CD2 4.22Å; L175-L177 HydrophobicContact CB-CG 4.09Å; L175-L177 HydrophobicContact CD1-CD2 4.35Å; L175-L177 PolarHBondContact O-N 3.04Å; L175-W394 HydrophobicContact CD1-CH2 4.44Å; L175-W394 HydrophobicContact CD2-CH2 4.32Å; L175-W394 HydrophobicContact CD2-CZ3 4.32Å; L175-C399 HydrophobicContact CD1-CB 3.58Å
176N84.8Confident80.7Confident81 Ų8173.7 Ų73.743%0.43340%0.398SS..  trans-75.566.2169.4-178.410.1000110.7Q178 S179 Q180 K395N176-Q178 VanDerWaalsContact C-N 3.31Å; N176-Q178 PolarHBondContact O-N 3.42Å; N176-S179 PolarHBondContact O-N 3.48Å; N176-S179 PolarHBondContact OD1-N 2.99Å; N176-S179 VanDerWaalsContact OD1-N 3.15Å; N176-Q180 PolarHBondContact ND2-N 3.4Å; N176-Q180 PolarHBondContact ND2-O 3.41Å; N176-Q180 PolarHBondContact OD1-N 3.49Å; N176-K395 WeakPolarHBondContact O-CE 3.38Å; N176-K395 PolarHBondContact O-NZ 2.97Å
177L79.8Confident80.6Confident44 Ų4475.2 Ų75.223%0.2341%0.408CS..THydrogen-bonded Turntrans-56.8-43.3-174.5-71.6173.5000112.4K172 L175 S179 F341K172-L177 HydrophobicContact CB-CD1 3.95Å; K172-L177 HydrophobicContact CD-CD1 4.25Å; K172-L177 HydrophobicContact CG-CD1 3.95Å; L175-L177 HydrophobicContact CB-CD2 4.22Å; L175-L177 HydrophobicContact CB-CG 4.09Å; L175-L177 HydrophobicContact CD1-CD2 4.35Å; L175-L177 PolarHBondContact O-N 3.04Å; L177-S179 PolarHBondContact O-N 3.36Å; L177-S179 VanDerWaalsContact O-N 3.15Å; L177-S179 PolarHBondContact O-OG 3.08Å; L177-F341 WeakPolarHBondContact O-CD2 3.33Å; L177-F341 WeakPolarHBondContact O-CE2 3.47Å
178Q77.6Confident80.5Confident121 Ų12179.9 Ų79.957%0.56544%0.437SS*.THydrogen-bonded Turntrans-69-9.3179.5-64.9-177.111.800113.3N176 Q180N176-Q178 VanDerWaalsContact C-N 3.31Å; N176-Q178 PolarHBondContact O-N 3.42Å; Q178-Q180 VanDerWaalsContact C-N 3.26Å; Q178-Q180 HydrophobicContact CB-CG 3.98Å; Q178-Q180 PolarHBondContact O-N 3.28Å
179S82.3Confident80.6Confident23 Ų2378.1 Ų78.116%0.16142%0.423CS..  trans56.340.7-178.7-49.80000112.4N176 L177 K395N176-S179 PolarHBondContact O-N 3.48Å; N176-S179 PolarHBondContact OD1-N 2.99Å; N176-S179 VanDerWaalsContact OD1-N 3.15Å; L177-S179 PolarHBondContact O-N 3.36Å; L177-S179 VanDerWaalsContact O-N 3.15Å; L177-S179 PolarHBondContact O-OG 3.08Å; S179-K395 WeakPolarHBondContact OG-CE 3.38Å; S179-K395 PolarHBondContact OG-NZ 3.05Å
180Q83.7Confident80.7Confident126 Ų12674.2 Ų74.259%0.58940%0.403SS*.  trans-70139.8176.5-67-177-8.200110.3N176 Q178N176-Q180 PolarHBondContact ND2-N 3.4Å; N176-Q180 PolarHBondContact ND2-O 3.41Å; N176-Q180 PolarHBondContact OD1-N 3.49Å; Q178-Q180 VanDerWaalsContact C-N 3.26Å; Q178-Q180 HydrophobicContact CB-CG 3.98Å; Q178-Q180 PolarHBondContact O-N 3.28Å
181F86.9Confident80.7Confident74 Ų7478.7 Ų78.733%0.32542%0.417SS..  trans-82.9141.7175-63.8-71.5000110.7L183 P250 V251 Y334F181-L183 VanDerWaalsContact C-N 3.34Å; F181-L183 HydrophobicContact CB-CD2 4.17Å; F181-L183 PolarHBondContact O-N 2.68Å; F181-P250 HydrophobicContact CD1-CG 4.02Å; F181-P250 HydrophobicContact CD2-CG 4.22Å; F181-P250 HydrophobicContact CE1-CG 3.44Å; F181-P250 VanDerWaalsContact CE1-CG 3.44Å; F181-P250 HydrophobicContact CE2-CG 3.66Å; F181-P250 HydrophobicContact CG-CG 4.39Å; F181-P250 HydrophobicContact CZ-CG 3.25Å; F181-V251 HydrophobicContact CD2-CG2 4.26Å; F181-V251 HydrophobicContact CE2-CG2 3.92Å; F181-Y334 HydrophobicContact CE1-CE2 4.49Å; F181-Y334 HydrophobicContact CE2-CE1 4.48Å; F181-Y334 HydrophobicContact CZ-CD1 4.49Å; F181-Y334 HydrophobicContact CZ-CD2 4.32Å; F181-Y334 AromaticContact CZ-CE1 3.87Å; F181-Y334 HydrophobicContact CZ-CE1 3.87Å; F181-Y334 AromaticContact CZ-CE2 3.67Å; F181-Y334 HydrophobicContact CZ-CE2 3.67Å; F181-Y334 AromaticContact CZ-CZ 3.42Å; F181-Y334 VanDerWaalsContact CZ-CZ 3.42Å; F181-Y334 WeakPolarHBondContact CZ-OH 3.07Å
182N84.6Confident80.3Confident106 Ų10681.5 Ų81.557%0.56743%0.432SS*.  trans-76.988172.1-178.811.3000109.8D184N182-D184 PolarHBondContact O-N 2.93Å; N182-D184 PolarHBondContact OD1-N 2.8Å; N182-D184 VanDerWaalsContact OD1-N 3.17Å
183L85.4Confident79.5Confident74 Ų7480.7 Ų80.739%0.38743%0.431SS..THydrogen-bonded Turntrans-73.5-13178.1-59.2179.6000112F181 N185 R248 N249F181-L183 VanDerWaalsContact C-N 3.34Å; F181-L183 HydrophobicContact CB-CD2 4.17Å; F181-L183 PolarHBondContact O-N 2.68Å; L183-N185 VanDerWaalsContact C-N 3.25Å; L183-N185 PolarHBondContact O-N 3.49Å; L183-R248 HydrophobicContact CD2-CG 4.49Å; L183-R248 PolarHBondContact O-NE 3.05Å; L183-R248 PolarHBondContact O-NH2 2.96Å; L183-N249 HydrophobicContact CD2-CB 3.94Å
184D78.7Confident78.8Confident134 Ų13486.1 Ų86.172%0.71745%0.449SS*.THydrogen-bonded Turntrans-74.8-15.7-177-63.1-24.6000113.5N182 I186N182-D184 PolarHBondContact O-N 2.93Å; N182-D184 PolarHBondContact OD1-N 2.8Å; N182-D184 VanDerWaalsContact OD1-N 3.17Å; D184-I186 VanDerWaalsContact C-N 3.31Å; D184-I186 PolarHBondContact O-N 3.25Å
185N80.4Confident78Confident80 Ų8089.5 Ų89.543%0.42845%0.45SS..  trans-82.372.3-179.5-167.924.7000112.3L183 R248 K303L183-N185 VanDerWaalsContact C-N 3.25Å; L183-N185 PolarHBondContact O-N 3.49Å; N185-R248 WeakPolarHBondContact O-CD 3.26Å; N185-K303 WeakPolarHBondContact OD1-CE 3.44Å; N185-K303 PolarHBondContact OD1-NZ 3.18Å
186I80.5Confident77.2Confident92 Ų9288.3 Ų88.347%0.47244%0.444SS..  trans-78.2131.5-179.8-42.1-163000110.4D184 V188D184-I186 VanDerWaalsContact C-N 3.31Å; D184-I186 PolarHBondContact O-N 3.25Å; I186-V188 PolarHBondContact O-N 3.16Å
187T82.9Confident76.2Confident35 Ų3587.2 Ų87.222%0.21544%0.441CS..  trans-83.5108.5167.6-58.40000107.9F189 W241 Q244 T306T187-F189 WeakPolarHBondContact O-CD1 3.48Å; T187-W241 HydrophobicContact CG2-CE3 3.74Å; T187-W241 HydrophobicContact CG2-CZ3 4.01Å; T187-Q244 HydrophobicContact CG2-CG 4.13Å; T187-Q244 VanDerWaalsContact OG1-CG 3.25Å; T187-Q244 WeakPolarHBondContact OG1-CG 3.48Å; T187-T306 HydrophobicContact CG2-CG2 3.46Å; T187-T306 VanDerWaalsContact CG2-CG2 3.46Å
188V81.3Confident75.3Confident113 Ų11387.5 Ų87.569%0.68544%0.442SS*.  trans-86.3122.7-179.6-178.50000108.1I186 T306I186-V188 PolarHBondContact O-N 3.16Å; V188-T306 WeakPolarHBondContact O-CB 3.23Å; V188-T306 WeakPolarHBondContact O-CG2 3.28Å; V188-T306 PolarHBondContact O-OG1 2.94Å
189F83.4Confident74.2Confident29 Ų2985.8 Ų85.813%0.12746%0.458CS..  trans-141.7159.5179.366.3-87.9000109.6T187 K191 Y237 W241 T306T187-F189 WeakPolarHBondContact O-CD1 3.48Å; F189-K191 HydrophobicContact CD2-CG 4.12Å; F189-K191 HydrophobicContact CE2-CG 3.71Å; F189-K191 HydrophobicContact CZ-CD 4.46Å; F189-K191 HydrophobicContact CZ-CG 4.09Å; F189-K191 PolarHBondContact O-N 3.31Å; F189-Y237 HydrophobicContact CD2-CE1 4.38Å; F189-W241 HydrophobicContact CB-CB 3.98Å; F189-W241 HydrophobicContact CB-CG 4.03Å; F189-W241 HydrophobicContact CD1-CB 3.63Å; F189-W241 HydrophobicContact CD1-CG 4.5Å; F189-W241 HydrophobicContact CD2-CB 3.68Å; F189-W241 HydrophobicContact CD2-CG 4.41Å; F189-W241 HydrophobicContact CE1-CB 3.92Å; F189-W241 HydrophobicContact CE2-CB 3.98Å; F189-W241 HydrophobicContact CG-CB 3.49Å; F189-W241 VanDerWaalsContact CG-CB 3.49Å; F189-W241 HydrophobicContact CG-CG 4.1Å; F189-W241 HydrophobicContact CZ-CB 4.09Å; F189-T306 HydrophobicContact CB-CG2 4.29Å
190N79.4Confident72.3Confident37 Ų3791 Ų9120%0.19848%0.479CS..  trans-66.3123.8178.8-167.9-0.1000111.2N192 E195 Y237 E308N190-N192 PolarHBondContact OD1-N 3.41Å; N190-N192 PolarHBondContact OD1-O 2.8Å; N190-E195 PolarHBondContact ND2-O 2.82Å; N190-Y237 HydrophobicContact CB-CE1 4.27Å; N190-Y237 PolarHBondContact N-OH 3.06Å; N190-E308 VanDerWaalsContact CB-OE1 3.23Å; N190-E308 WeakPolarHBondContact CB-OE1 3.38Å; N190-E308 PolarHBondContact ND2-OE1 3.24Å
191K74.8Confident70Confident137 Ų13795.6 Ų95.660%0.59649%0.491SS*.  trans-108-8.9177.5-66179.7-177.8-1800112.5F189 Y234F189-K191 HydrophobicContact CD2-CG 4.12Å; F189-K191 HydrophobicContact CE2-CG 3.71Å; F189-K191 HydrophobicContact CZ-CD 4.46Å; F189-K191 HydrophobicContact CZ-CG 4.09Å; F189-K191 PolarHBondContact O-N 3.31Å; K191-Y234 PolarHBondContact O-OH 3.27Å
192N71.6Confident67.5Low86 Ų8698.1 Ų98.146%0.4652%0.515SS..  trans-95.6112.9-175.7-65.4-18.8000110.3N190 Q194 E195 Y234N190-N192 PolarHBondContact OD1-N 3.41Å; N190-N192 PolarHBondContact OD1-O 2.8Å; N192-Q194 PolarHBondContact O-N 3.04Å; N192-E195 HydrophobicContact CB-CB 4.2Å; N192-E195 HydrophobicContact CB-CG 4.3Å; N192-E195 PolarHBondContact ND2-OE2 3.4Å; N192-E195 PolarHBondContact O-N 2.76Å; N192-Y234 PolarHBondContact N-OH 3.44Å; N192-Y234 PolarHBondContact O-OH 2.87Å
193E62Low64.9Low143 Ų14398.9 Ų98.967%0.66852%0.524SS*.G310 helixtrans-64-27.1177.7-169172.8-171.700112.4S196 Y234E193-S196 WeakPolarHBondContact O-CB 3.43Å; E193-S196 PolarHBondContact O-N 3.04Å; E193-Y234 HydrophobicContact CB-CD1 4.23Å; E193-Y234 HydrophobicContact CB-CE1 3.65Å; E193-Y234 HydrophobicContact CG-CD1 3.88Å; E193-Y234 HydrophobicContact CG-CE1 3.84Å; E193-Y234 PolarHBondContact N-OH 3.07Å
194Q58.4Low62.6Low184 Ų184104.5 Ų104.586%0.8655%0.548SS*.G310 helixtrans-75.5-23.3180-65.5180-11.800113.7N192N192-Q194 PolarHBondContact O-N 3.04Å
195E60.3Low60.4Low126 Ų126106.8 Ų106.859%0.58956%0.555SS**G310 helixtrans-98.810.8177.4-66.9174.7156.900111.6N190 N192 T197N190-E195 PolarHBondContact ND2-O 2.82Å; N192-E195 HydrophobicContact CB-CB 4.2Å; N192-E195 HydrophobicContact CB-CG 4.3Å; N192-E195 PolarHBondContact ND2-OE2 3.4Å; N192-E195 PolarHBondContact O-N 2.76Å; E195-T197 PolarHBondContact O-N 2.69Å
196S63Low58.6Low9 Ų9113 Ų1136%0.06358%0.577CS.*  trans-68.4132.1-177.7-173.50000111.3E193 L198 Q200 Y234 E308E193-S196 WeakPolarHBondContact O-CB 3.43Å; E193-S196 PolarHBondContact O-N 3.04Å; S196-L198 VanDerWaalsContact C-N 3.32Å; S196-L198 PolarHBondContact OG-N 3.34Å; S196-Q200 PolarHBondContact O-NE2 3.07Å; S196-Q200 VanDerWaalsContact O-NE2 3.13Å; S196-Y234 WeakPolarHBondContact OG-CD2 3.45Å; S196-E308 WeakPolarHBondContact CA-OE2 3.5Å; S196-E308 PolarHBondContact OG-OE2 3.4Å
197T63.1Low56.2Low59 Ų59117.9 Ų117.936%0.36260%0.599SS.*  trans-85.6-8175.359.10000112.6E195 E308E195-T197 PolarHBondContact O-N 2.69Å; T197-E308 PolarHBondContact N-OE2 3.3Å; T197-E308 PolarHBondContact OG1-OE2 2.98Å; T197-E308 VanDerWaalsContact OG1-OE2 3.05Å
198L61.1Low54.1Low49 Ų49124.8 Ų124.826%0.25763%0.634SS.*THydrogen-bonded Turntrans-81.7115.4178.5-68.8164000110.1S196 I232 E308S196-L198 VanDerWaalsContact C-N 3.32Å; S196-L198 PolarHBondContact OG-N 3.34Å; L198-I232 HydrophobicContact CD1-CG2 4.35Å; L198-E308 HydrophobicContact CD1-CB 3.87Å; L198-E308 HydrophobicContact CD1-CG 4.21Å; L198-E308 HydrophobicContact CG-CB 3.9Å
199G53.4Low51.6Low86 Ų86122.8 Ų122.889%0.88764%0.636SS**THydrogen-bonded Turntrans91.40.4175.700000116.1
200Q44.3Very low49Very low131 Ų131130.2 Ų130.261%0.61267%0.674SS**  trans-80.4119.5169.5-64.3-171.32.400109.9S196S196-Q200 PolarHBondContact O-NE2 3.07Å; S196-Q200 VanDerWaalsContact O-NE2 3.13Å
201R33.6Very low46.5Very low223 Ų223138 Ų13884%0.84271%0.709SS**  trans-60.4139.1162.2-84-179.9-97.9172.9-5.7107.5T203R201-T203 PolarHBondContact O-N 3.01Å; R201-T203 PolarHBondContact O-OG1 3.26Å
202P36.1Very low44.5Very low127 Ų127137.6 Ų137.683%0.82572%0.718SS**  trans-60.7109.8-179.725.5-30.7000107.5
203T30.2Very low42.5Very low123 Ų123142.9 Ų142.976%0.75574%0.74SS**  trans-93.3115.4165.7-350000104.1R201 E205R201-T203 PolarHBondContact O-N 3.01Å; R201-T203 PolarHBondContact O-OG1 3.26Å; T203-E205 PolarHBondContact O-N 2.92Å
204E36.8Very low41.1Very low192 Ų192145 Ų14590%0.89775%0.75SS**  trans-59.395.6176.7-64.7177156.300109.7
205E32.8Very low39.8Very low182 Ų182139.8 Ų139.885%0.8575%0.745SS**  trans-129.2104.3157.9-70.8-167.7169.500108.1T203 E207T203-E205 PolarHBondContact O-N 2.92Å; E205-E207 PolarHBondContact O-N 3.43Å
206K41.6Very low38.5Very low209 Ų209143.1 Ų143.191%0.90976%0.76SS**  trans-63.3122.6170-73.3176.8172-179.50108.9
207E31.1Very low37Very low196 Ų196151 Ų15192%0.91680%0.799SS**  trans-137.2131.1152.3-102-171.816400110.7E205E205-E207 PolarHBondContact O-N 3.43Å
208D37Very low35.5Very low180 Ų180151.8 Ų151.896%0.96382%0.818SS**  trans-54.5130.7-170.2-88.3-41.4000114.7
209G28.8Very low34.1Very low71 Ų71157.7 Ų157.773%0.73285%0.85SS**  trans-174.883.4170.600000113.6
210M28.9Very low33.1Very low184 Ų184162.7 Ų162.791%0.90685%0.85SS**  trans46.6102.9158.6-122.3165.7-173.800117.7V212M210-V212 PolarHBondContact O-N 2.93Å
211E27.1Very low32.4Very low200 Ų200165.2 Ų165.294%0.93586%0.862SS**  trans-51.7114.2171.7-64.7173.7168.500111.5
212V33.5Very low32.5Very low130 Ų130161.2 Ų161.279%0.78887%0.865SS**  trans-96.1117.5158.4-167.60000105.1M210 E214M210-V212 PolarHBondContact O-N 2.93Å; V212-E214 PolarHBondContact O-N 3.43Å
213E29.3Very low32.4Very low197 Ų197158.7 Ų158.792%0.92186%0.862SS**  trans-50.2100.7176.9-114179.1158.900110.3G215E213-G215 PolarHBondContact O-N 2.83Å
214E33.5Very low32.3Very low187 Ų187157.1 Ų157.187%0.87486%0.861SS**  trans-72.4112.7164.1-77.1-172.1154.700107.6V212 E216V212-E214 PolarHBondContact O-N 3.43Å; E214-E216 PolarHBondContact O-N 3.27Å
215G30Very low32.2Very low74 Ų74153.7 Ų153.776%0.76386%0.856SS**  trans-63.6121.3169.500000110.3E213 M217E213-G215 PolarHBondContact O-N 2.83Å; G215-M217 PolarHBondContact O-N 3.47Å
216E33.1Very low32.2Very low196 Ų196148.8 Ų148.892%0.91685%0.846SS**  trans-47117174.9-70.6176.5143.300112E214E214-E216 PolarHBondContact O-N 3.27Å
217M31.9Very low32Very low176 Ų176145 Ų14587%0.86784%0.843SS**  trans-107.6125.2152.3-83.4-119-103.500107.4G215G215-M217 PolarHBondContact O-N 3.47Å
218G31Very low32.4Very low74 Ų74139.6 Ų139.676%0.76383%0.826SS**  trans-57.9154.4-166.200000115.8E220G218-E220 PolarHBondContact O-N 3.48Å
219D33.1Very low32.9Very low174 Ų174135.8 Ų135.893%0.9381%0.813SS**  trans-44.9115.7174.3-70.8-43.3000113.4
220E31.7Very low34.1Very low191 Ų191134 Ų13489%0.89379%0.787SS**  trans-123.4133.1150.4-74.3-168.8169.300109G218G218-E220 PolarHBondContact O-N 3.48Å
221E28.8Very low35.6Very low183 Ų183131 Ų13186%0.85578%0.781SS**  trans-53.9147-167.9-71.6-175.5144.200115.6G223E221-G223 PolarHBondContact O-N 3.39Å
222P37Very low37.4Very low139 Ų139122.6 Ų122.690%0.90374%0.742SS**THydrogen-bonded Turntrans-79.189.2179.632-32.1000110.9
223G34.1Very low39.3Very low75 Ų75120.5 Ų120.577%0.77373%0.727SS**THydrogen-bonded Turntrans-174.5-7.9177.500000119.1E221E221-G223 PolarHBondContact O-N 3.39Å
224A27.5Very low41.7Very low89 Ų89111.9 Ų111.974%0.73669%0.686SS**  trans-107.4122.6176.800000110.5A226A224-A226 PolarHBondContact O-N 3.02Å
225P34.3Very low44.1Very low120 Ų120106.3 Ų106.378%0.77966%0.662SS**  trans-66.1119.9173.826.8-30.6000108.7
226A33.3Very low46.7Very low79 Ų79104.1 Ų104.165%0.65363%0.633SS**  trans-51.3129.2168.800000108.9A224 C228A224-A226 PolarHBondContact O-N 3.02Å; A226-C228 PolarHBondContact O-N 2.72Å
227P36.6Very low49.3Very low129 Ų12994.9 Ų94.984%0.83859%0.59SS**THydrogen-bonded Turntrans-79.274.6-177.432.3-32.7000108.7
228C39.7Very low51.9Low83 Ų8391.6 Ų91.656%0.56157%0.567SS**THydrogen-bonded Turntrans17149.9162.2-95.90000112.8A226 I230A226-C228 PolarHBondContact O-N 2.72Å; C228-I230 PolarHBondContact O-N 3.08Å
229S46.6Very low54.7Low100 Ų10090 Ų9070%0.69954%0.54SS*.  trans-87.594.8167.165.50000109.7P231S229-P231 WeakPolarHBondContact O-CD 3.31Å
230I55.7Low57.4Low35 Ų3582.1 Ų82.118%0.17950%0.497CS..  trans-59.3126.5162.1-58.1171.5000105.9C228 I232 F276 L315C228-I230 PolarHBondContact O-N 3.08Å; I230-I232 VanDerWaalsContact C-N 3.27Å; I230-I232 HydrophobicContact CB-CG1 4.03Å; I230-I232 HydrophobicContact CG2-CG1 3.85Å; I230-I232 PolarHBondContact O-N 2.68Å; I230-F276 HydrophobicContact CD1-CD2 3.66Å; I230-F276 HydrophobicContact CD1-CE1 4.49Å; I230-F276 HydrophobicContact CD1-CE2 3.59Å; I230-F276 HydrophobicContact CD1-CG 4.17Å; I230-F276 HydrophobicContact CD1-CZ 3.99Å; I230-F276 HydrophobicContact CG1-CD2 3.83Å; I230-F276 HydrophobicContact CG1-CE2 3.58Å; I230-F276 HydrophobicContact CG1-CZ 4.33Å; I230-L315 HydrophobicContact CD1-CB 4.17Å; I230-L315 HydrophobicContact CD1-CD1 4.19Å
231P59.2Low60.3Low121 Ų12173 Ų7379%0.78646%0.455SS*.  trans-70.491.9171.228.2-31000107.7S229 D233S229-P231 WeakPolarHBondContact O-CD 3.31Å; P231-D233 PolarHBondContact O-N 3.46Å
232I65.6Low63.2Low22 Ų2265.9 Ų65.911%0.11342%0.423CS..  trans-82.6108.5179.7-62.5178.4000108L198 I230 M311 D312 L315L198-I232 HydrophobicContact CD1-CG2 4.35Å; I230-I232 VanDerWaalsContact C-N 3.27Å; I230-I232 HydrophobicContact CB-CG1 4.03Å; I230-I232 HydrophobicContact CG2-CG1 3.85Å; I230-I232 PolarHBondContact O-N 2.68Å; I232-M311 VanDerWaalsContact CD1-C 3.47Å; I232-M311 HydrophobicContact CD1-CB 3.74Å; I232-M311 HydrophobicContact CD1-CG 3.8Å; I232-M311 HydrophobicContact CG2-CB 4.22Å; I232-M311 HydrophobicContact CG2-CG 3.97Å; I232-D312 HydrophobicContact CD1-CB 3.54Å; I232-L315 HydrophobicContact CD1-CD1 4.02Å; I232-L315 HydrophobicContact CG1-CD1 4.5Å
233D73.9Confident65.9Low87 Ų8759.4 Ų59.447%0.46538%0.381SS..  trans-76.3140.8170.3-174.51.3000109.6P231 N235 L236 Y237P231-D233 PolarHBondContact O-N 3.46Å; D233-N235 PolarHBondContact O-N 3.12Å; D233-N235 VanDerWaalsContact O-N 3.13Å; D233-N235 PolarHBondContact OD1-N 3.08Å; D233-N235 PolarHBondContact OD1-ND2 3.07Å; D233-N235 WeakPolarHBondContact OD2-CB 3.3Å; D233-N235 PolarHBondContact OD2-ND2 3.16Å; D233-L236 WeakPolarHBondContact O-CB 3.43Å; D233-L236 PolarHBondContact O-N 3.43Å; D233-Y237 PolarHBondContact O-N 3.31Å
234Y79.1Confident68.6Low16 Ų1656.7 Ų56.76%0.06335%0.349CS..Hα-helixtrans-51.2-33.3170.8176.5-103.6000111.7K191 N192 E193 S196 L236 Y237 R238K191-Y234 PolarHBondContact O-OH 3.27Å; N192-Y234 PolarHBondContact N-OH 3.44Å; N192-Y234 PolarHBondContact O-OH 2.87Å; E193-Y234 HydrophobicContact CB-CD1 4.23Å; E193-Y234 HydrophobicContact CB-CE1 3.65Å; E193-Y234 HydrophobicContact CG-CD1 3.88Å; E193-Y234 HydrophobicContact CG-CE1 3.84Å; E193-Y234 PolarHBondContact N-OH 3.07Å; S196-Y234 WeakPolarHBondContact OG-CD2 3.45Å; Y234-L236 PolarHBondContact O-N 2.69Å; Y234-Y237 HydrophobicContact CD2-CD1 4.27Å; Y234-Y237 HydrophobicContact CE2-CD1 4.29Å; Y234-Y237 HydrophobicContact CE2-CE1 4.49Å; Y234-Y237 PolarHBondContact O-N 2.82Å; Y234-R238 WeakPolarHBondContact O-CB 3.47Å; Y234-R238 PolarHBondContact O-N 3.21Å
235N83.8Confident71.6Confident70 Ų7055.1 Ų55.137%0.37433%0.328SS..Hα-helixtrans-60.8-41.1174.2-70.9-56000113.3D233 K239D233-N235 PolarHBondContact O-N 3.12Å; D233-N235 VanDerWaalsContact O-N 3.13Å; D233-N235 PolarHBondContact OD1-N 3.08Å; D233-N235 PolarHBondContact OD1-ND2 3.07Å; D233-N235 WeakPolarHBondContact OD2-CB 3.3Å; D233-N235 PolarHBondContact OD2-ND2 3.16Å; N235-K239 WeakPolarHBondContact O-CB 3.49Å; N235-K239 WeakPolarHBondContact O-CG 3.04Å; N235-K239 PolarHBondContact O-N 3.48Å
236L84.4Confident74.4Confident28 Ų2850.4 Ų50.415%0.14729%0.294CS..Hα-helixtrans-66.9-47.2177.8177.463.8000110.1D233 Y234 R238 K239 F240 V272D233-L236 WeakPolarHBondContact O-CB 3.43Å; D233-L236 PolarHBondContact O-N 3.43Å; Y234-L236 PolarHBondContact O-N 2.69Å; L236-R238 PolarHBondContact O-N 3.32Å; L236-K239 PolarHBondContact O-N 3.26Å; L236-F240 WeakPolarHBondContact O-CB 3.25Å; L236-F240 PolarHBondContact O-N 3.12Å; L236-V272 HydrophobicContact CD1-CG2 3.92Å; L236-V272 HydrophobicContact CD2-CG1 4.46Å; L236-V272 HydrophobicContact CD2-CG2 4.11Å
237Y87.4Confident77.2Confident2 Ų248.1 Ų48.11%0.00827%0.27CS..Hα-helixtrans-56.5-48.2177.1166.6-90.6000111.7F189 N190 D233 Y234 F240 W241 T306 E308 M311F189-Y237 HydrophobicContact CD2-CE1 4.38Å; N190-Y237 HydrophobicContact CB-CE1 4.27Å; N190-Y237 PolarHBondContact N-OH 3.06Å; D233-Y237 PolarHBondContact O-N 3.31Å; Y234-Y237 HydrophobicContact CD2-CD1 4.27Å; Y234-Y237 HydrophobicContact CE2-CD1 4.29Å; Y234-Y237 HydrophobicContact CE2-CE1 4.49Å; Y234-Y237 PolarHBondContact O-N 2.82Å; Y237-F240 PolarHBondContact O-N 2.89Å; Y237-W241 AromaticContact CD2-CD1 3.38Å; Y237-W241 AromaticContact CD2-NE1 3.25Å; Y237-W241 VanDerWaalsContact CD2-NE1 3.25Å; Y237-W241 AromaticContact CE2-CD1 3.2Å; Y237-W241 HydrophobicContact CE2-CG 4.46Å; Y237-W241 AromaticContact CE2-NE1 3Å; Y237-W241 AromaticContact CG-CD1 3.87Å; Y237-W241 AromaticContact CZ-CD1 3.54Å; Y237-W241 AromaticContact CZ-NE1 3.78Å; Y237-W241 PolarHBondContact O-N 3.49Å; Y237-T306 PolarHBondContact OH-O 2.65Å; Y237-E308 HydrophobicContact CD1-CG 4.01Å; Y237-E308 HydrophobicContact CD2-CG 4.12Å; Y237-E308 HydrophobicContact CE1-CG 3.64Å; Y237-E308 HydrophobicContact CE2-CB 4.32Å; Y237-E308 HydrophobicContact CE2-CG 3.74Å; Y237-E308 HydrophobicContact CG-CG 4.24Å; Y237-E308 VanDerWaalsContact CZ-CG 3.49Å; Y237-M311 HydrophobicContact CD2-SD 4.41Å
238R87.8Confident79.8Confident106 Ų10644.8 Ų44.840%0.424%0.241SC..Hα-helixtrans-63.4-45.4179.1-177178.2179.5-94.20.4112.1Y234 L236 T242Y234-R238 WeakPolarHBondContact O-CB 3.47Å; Y234-R238 PolarHBondContact O-N 3.21Å; L236-R238 PolarHBondContact O-N 3.32Å; R238-T242 WeakPolarHBondContact O-CB 3.35Å; R238-T242 PolarHBondContact O-N 3.23Å; R238-T242 PolarHBondContact O-OG1 3Å
239K89.3Confident82.2Confident41 Ų4142.4 Ų42.418%0.17822%0.222CC..Hα-helixtrans-63.2-43.8178.3-71.9176.7-169.7178.60111.1N235 L236 T242 L243 Y265 E268N235-K239 WeakPolarHBondContact O-CB 3.49Å; N235-K239 WeakPolarHBondContact O-CG 3.04Å; N235-K239 PolarHBondContact O-N 3.48Å; L236-K239 PolarHBondContact O-N 3.26Å; K239-T242 PolarHBondContact O-N 3.41Å; K239-L243 PolarHBondContact O-N 3.43Å; K239-Y265 HydrophobicContact CB-CD1 4.06Å; K239-Y265 HydrophobicContact CB-CD2 4.37Å; K239-Y265 HydrophobicContact CB-CE1 4.43Å; K239-Y265 HydrophobicContact CB-CG 4.04Å; K239-Y265 HydrophobicContact CD-CD1 3.82Å; K239-Y265 HydrophobicContact CD-CE1 3.95Å; K239-Y265 HydrophobicContact CG-CD1 3.69Å; K239-Y265 HydrophobicContact CG-CE1 3.66Å; K239-Y265 HydrophobicContact CG-CE2 4.47Å; K239-Y265 HydrophobicContact CG-CG 4.15Å; K239-E268 WeakPolarHBondContact CD-OE2 3.5Å; K239-E268 WeakPolarHBondContact CE-OE2 3.41Å; K239-E268 IonicContact NZ-OE1 2.81Å; K239-E268 PolarHBondContact NZ-OE1 3.37Å; K239-E268 IonicContact NZ-OE2 2.58Å; K239-E268 PolarHBondContact NZ-OE2 3.14Å
240F90.6Very high84.3Confident8 Ų837.9 Ų37.94%0.03519%0.191CC..Hα-helixtrans-58.9-53.8178-179.4-90.7000112.1L236 Y237 T242 L243 T269 F273 M311 F320 I324L236-F240 WeakPolarHBondContact O-CB 3.25Å; L236-F240 PolarHBondContact O-N 3.12Å; Y237-F240 PolarHBondContact O-N 2.89Å; F240-T242 VanDerWaalsContact C-N 3.28Å; F240-T242 PolarHBondContact O-N 3.01Å; F240-L243 VanDerWaalsContact O-CB 3.26Å; F240-L243 WeakPolarHBondContact O-CB 3.34Å; F240-L243 PolarHBondContact O-N 2.88Å; F240-T269 HydrophobicContact CD2-CG2 3.67Å; F240-T269 HydrophobicContact CE2-CG2 3.96Å; F240-F273 HydrophobicContact CE2-CZ 4.18Å; F240-M311 HydrophobicContact CB-CE 4.06Å; F240-M311 HydrophobicContact CD1-CE 3.64Å; F240-M311 HydrophobicContact CD1-SD 4.34Å; F240-M311 HydrophobicContact CD2-CE 3.95Å; F240-M311 HydrophobicContact CE1-CE 4.04Å; F240-M311 HydrophobicContact CE2-CE 4.31Å; F240-M311 HydrophobicContact CG-CE 3.59Å; F240-M311 HydrophobicContact CZ-CE 4.34Å; F240-F320 HydrophobicContact CE1-CE1 4.17Å; F240-F320 AromaticContact CE1-CZ 3.65Å; F240-F320 HydrophobicContact CE1-CZ 3.65Å; F240-F320 HydrophobicContact CE2-CE1 4.44Å; F240-F320 AromaticContact CZ-CE1 3.62Å; F240-F320 HydrophobicContact CZ-CE1 3.62Å; F240-F320 AromaticContact CZ-CZ 3.48Å; F240-F320 HydrophobicContact CZ-CZ 3.48Å; F240-F320 VanDerWaalsContact CZ-CZ 3.48Å; F240-I324 HydrophobicContact CE1-CD1 4.42Å; F240-I324 HydrophobicContact CE2-CD1 4.41Å; F240-I324 HydrophobicContact CE2-CG1 4.26Å; F240-I324 HydrophobicContact CE2-CG2 4.36Å; F240-I324 HydrophobicContact CZ-CD1 3.67Å; F240-I324 HydrophobicContact CZ-CG1 3.8Å
241W91.2Very high85.8Confident1 Ų139.2 Ų39.20%0.00420%0.2CC..Hα-helixtrans-72.1-22.4-179.3-68114.4000113.6T187 F189 Y237 L243 Q244 F304 T306 F320T187-W241 HydrophobicContact CG2-CE3 3.74Å; T187-W241 HydrophobicContact CG2-CZ3 4.01Å; F189-W241 HydrophobicContact CB-CB 3.98Å; F189-W241 HydrophobicContact CB-CG 4.03Å; F189-W241 HydrophobicContact CD1-CB 3.63Å; F189-W241 HydrophobicContact CD1-CG 4.5Å; F189-W241 HydrophobicContact CD2-CB 3.68Å; F189-W241 HydrophobicContact CD2-CG 4.41Å; F189-W241 HydrophobicContact CE1-CB 3.92Å; F189-W241 HydrophobicContact CE2-CB 3.98Å; F189-W241 HydrophobicContact CG-CB 3.49Å; F189-W241 VanDerWaalsContact CG-CB 3.49Å; F189-W241 HydrophobicContact CG-CG 4.1Å; F189-W241 HydrophobicContact CZ-CB 4.09Å; Y237-W241 AromaticContact CD2-CD1 3.38Å; Y237-W241 AromaticContact CD2-NE1 3.25Å; Y237-W241 VanDerWaalsContact CD2-NE1 3.25Å; Y237-W241 AromaticContact CE2-CD1 3.2Å; Y237-W241 HydrophobicContact CE2-CG 4.46Å; Y237-W241 AromaticContact CE2-NE1 3Å; Y237-W241 AromaticContact CG-CD1 3.87Å; Y237-W241 AromaticContact CZ-CD1 3.54Å; Y237-W241 AromaticContact CZ-NE1 3.78Å; Y237-W241 PolarHBondContact O-N 3.49Å; W241-L243 VanDerWaalsContact C-N 3.28Å; W241-L243 PolarHBondContact O-N 3.08Å; W241-Q244 HydrophobicContact CE3-CB 4.47Å; W241-Q244 VanDerWaalsContact O-CB 3.32Å; W241-Q244 WeakPolarHBondContact O-CB 3.33Å; W241-Q244 PolarHBondContact O-N 2.89Å; W241-F304 HydrophobicContact CH2-CB 3.72Å; W241-F304 HydrophobicContact CH2-CG 4.2Å; W241-F304 HydrophobicContact CZ3-CB 3.81Å; W241-F304 HydrophobicContact CZ3-CD2 4.07Å; W241-F304 HydrophobicContact CZ3-CG 4.09Å; W241-T306 HydrophobicContact CD2-CG2 4.07Å; W241-T306 HydrophobicContact CE3-CG2 3.97Å; W241-T306 HydrophobicContact CH2-CG2 4.02Å; W241-T306 HydrophobicContact CZ2-CG2 4.09Å; W241-T306 HydrophobicContact CZ3-CG2 3.96Å; W241-F320 HydrophobicContact CH2-CE2 4.22Å; W241-F320 HydrophobicContact CH2-CZ 4.16Å; W241-F320 HydrophobicContact CZ2-CZ 4.5Å
242T90.5Very high87.3Confident32 Ų3235.6 Ų35.620%0.19617%0.173CC..Hα-helixtrans-65.8-32.5169.7-560000111.4R238 K239 F240 Q244 D245 Y246 Y265R238-T242 WeakPolarHBondContact O-CB 3.35Å; R238-T242 PolarHBondContact O-N 3.23Å; R238-T242 PolarHBondContact O-OG1 3Å; K239-T242 PolarHBondContact O-N 3.41Å; F240-T242 VanDerWaalsContact C-N 3.28Å; F240-T242 PolarHBondContact O-N 3.01Å; T242-Q244 PolarHBondContact O-N 3.3Å; T242-D245 PolarHBondContact O-N 3.08Å; T242-Y246 HydrophobicContact CG2-CE2 4.31Å; T242-Y265 HydrophobicContact CG2-CD2 4.26Å; T242-Y265 HydrophobicContact CG2-CE2 3.9Å
243L92.6Very high88.4Confident4 Ų434.5 Ų34.52%0.02117%0.167CC..Hα-helixtrans-59.3-32173.1-69.8167.4000112.7K239 F240 W241 D245 Y246 F247 F262 S266 T269 Y328K239-L243 PolarHBondContact O-N 3.43Å; F240-L243 VanDerWaalsContact O-CB 3.26Å; F240-L243 WeakPolarHBondContact O-CB 3.34Å; F240-L243 PolarHBondContact O-N 2.88Å; W241-L243 VanDerWaalsContact C-N 3.28Å; W241-L243 PolarHBondContact O-N 3.08Å; L243-D245 PolarHBondContact O-N 2.9Å; L243-Y246 HydrophobicContact CD2-CD2 4.36Å; L243-Y246 WeakPolarHBondContact O-CB 3.13Å; L243-Y246 PolarHBondContact O-N 3.27Å; L243-F247 HydrophobicContact CB-CE2 4.07Å; L243-F247 VanDerWaalsContact O-CD2 3.28Å; L243-F247 WeakPolarHBondContact O-CD2 3.43Å; L243-F247 PolarHBondContact O-N 3.28Å; L243-F247 VanDerWaalsContact O-N 3.08Å; L243-F262 HydrophobicContact CD2-CD2 3.67Å; L243-F262 HydrophobicContact CD2-CE2 3.95Å; L243-S266 WeakPolarHBondContact CD2-OG 3.43Å; L243-T269 HydrophobicContact CD1-CG2 4.39Å; L243-T269 VanDerWaalsContact CD1-OG1 3.31Å; L243-T269 WeakPolarHBondContact CD1-OG1 3.5Å; L243-Y328 WeakPolarHBondContact CD1-OH 3.16Å
244Q92.4Very high89Confident18 Ų1832.1 Ų32.18%0.08415%0.152CC..Hα-helixtrans-62.3-28.9179.5-162.560.263.500113.2T187 W241 T242 F247 R248T187-Q244 HydrophobicContact CG2-CG 4.13Å; T187-Q244 VanDerWaalsContact OG1-CG 3.25Å; T187-Q244 WeakPolarHBondContact OG1-CG 3.48Å; W241-Q244 HydrophobicContact CE3-CB 4.47Å; W241-Q244 VanDerWaalsContact O-CB 3.32Å; W241-Q244 WeakPolarHBondContact O-CB 3.33Å; W241-Q244 PolarHBondContact O-N 2.89Å; T242-Q244 PolarHBondContact O-N 3.3Å; Q244-F247 PolarHBondContact O-N 3.4Å; Q244-R248 WeakPolarHBondContact O-CB 3.22Å; Q244-R248 PolarHBondContact O-N 2.99Å
245D90.3Very high89.5Confident56 Ų5636.9 Ų36.930%0.29918%0.175SC..Hα-helixtrans-71.2-35.7175-160.354.6000111.9T242 L243 R248 N249 Q252T242-D245 PolarHBondContact O-N 3.08Å; L243-D245 PolarHBondContact O-N 2.9Å; D245-R248 WeakPolarHBondContact O-CB 3.28Å; D245-R248 PolarHBondContact O-N 3.4Å; D245-R248 IonicContact OD1-CZ 3.61Å; D245-R248 IonicContact OD1-NH1 3.62Å; D245-R248 PolarHBondContact OD1-NH1 3.08Å; D245-N249 PolarHBondContact O-N 3.39Å; D245-Q252 PolarHBondContact OD2-NE2 2.99Å
246Y91.9Very high89.7Confident20 Ų2041.9 Ų41.98%0.07819%0.193CC..Hα-helixtrans-66.4-37.4172.6-65.3-63.3000112T242 L243 R248 N249 Q252 F262T242-Y246 HydrophobicContact CG2-CE2 4.31Å; L243-Y246 HydrophobicContact CD2-CD2 4.36Å; L243-Y246 WeakPolarHBondContact O-CB 3.13Å; L243-Y246 PolarHBondContact O-N 3.27Å; Y246-R248 VanDerWaalsContact C-N 3.32Å; Y246-N249 CarbonylContact O-C 3.59Å; Y246-N249 VanDerWaalsContact O-C 3.24Å; Y246-N249 PolarHBondContact O-N 3.16Å; Y246-Q252 HydrophobicContact CD1-CB 4.06Å; Y246-Q252 HydrophobicContact CE1-CB 4.25Å; Y246-F262 HydrophobicContact CD2-CB 4.23Å; Y246-F262 AromaticContact CD2-CD2 3.9Å; Y246-F262 HydrophobicContact CD2-CD2 3.9Å; Y246-F262 HydrophobicContact CE2-CB 4.29Å; Y246-F262 HydrophobicContact CG-CB 4.41Å; Y246-F262 AromaticContact CG-CD2 3.93Å; Y246-F262 HydrophobicContact CG-CD2 3.93Å
247F92.6Very high90Very high32 Ų3248.3 Ų48.314%0.1422%0.22CC..Hα-helixtrans-66.5-34172.7-66-53.1000112.6L243 Q244 Q327 Y328 L331L243-F247 HydrophobicContact CB-CE2 4.07Å; L243-F247 VanDerWaalsContact O-CD2 3.28Å; L243-F247 WeakPolarHBondContact O-CD2 3.43Å; L243-F247 PolarHBondContact O-N 3.28Å; L243-F247 VanDerWaalsContact O-N 3.08Å; Q244-F247 PolarHBondContact O-N 3.4Å; F247-Q327 HydrophobicContact CD1-CB 4Å; F247-Q327 HydrophobicContact CD2-CB 4.35Å; F247-Q327 VanDerWaalsContact CD2-OE1 3.26Å; F247-Q327 HydrophobicContact CE1-CB 4.14Å; F247-Q327 HydrophobicContact CE2-CB 4.48Å; F247-Q327 HydrophobicContact CG-CB 4.15Å; F247-Q327 HydrophobicContact CZ-CB 4.39Å; F247-Y328 AromaticContact CE1-CD1 3.97Å; F247-Y328 HydrophobicContact CE1-CD1 3.97Å; F247-Y328 HydrophobicContact CE1-CD2 4.42Å; F247-Y328 HydrophobicContact CE1-CE1 4.21Å; F247-Y328 HydrophobicContact CE1-CG 4.09Å; F247-Y328 HydrophobicContact CE2-CE2 4.42Å; F247-Y328 AromaticContact CZ-CD1 3.87Å; F247-Y328 HydrophobicContact CZ-CD1 3.87Å; F247-Y328 AromaticContact CZ-CD2 3.79Å; F247-Y328 HydrophobicContact CZ-CD2 3.79Å; F247-Y328 AromaticContact CZ-CE1 3.77Å; F247-Y328 HydrophobicContact CZ-CE1 3.77Å; F247-Y328 AromaticContact CZ-CE2 3.68Å; F247-Y328 HydrophobicContact CZ-CE2 3.68Å; F247-Y328 AromaticContact CZ-CG 3.88Å; F247-Y328 HydrophobicContact CZ-CG 3.88Å; F247-Y328 AromaticContact CZ-CZ 3.67Å; F247-L331 HydrophobicContact CD1-CB 4.11Å; F247-L331 HydrophobicContact CD1-CD2 3.71Å; F247-L331 HydrophobicContact CD1-CG 4.45Å; F247-L331 HydrophobicContact CE1-CB 4.26Å; F247-L331 HydrophobicContact CE1-CD2 3.68Å
248R90.6Very high90.2Very high58 Ų5848.9 Ų48.922%0.21923%0.225CC..Hα-helixtrans-71.4-39.3176170.9-179.1161.5-132.6-1.9112.3L183 N185 Q244 D245 Y246L183-R248 HydrophobicContact CD2-CG 4.49Å; L183-R248 PolarHBondContact O-NE 3.05Å; L183-R248 PolarHBondContact O-NH2 2.96Å; N185-R248 WeakPolarHBondContact O-CD 3.26Å; Q244-R248 WeakPolarHBondContact O-CB 3.22Å; Q244-R248 PolarHBondContact O-N 2.99Å; D245-R248 WeakPolarHBondContact O-CB 3.28Å; D245-R248 PolarHBondContact O-N 3.4Å; D245-R248 IonicContact OD1-CZ 3.61Å; D245-R248 IonicContact OD1-NH1 3.62Å; D245-R248 PolarHBondContact OD1-NH1 3.08Å; Y246-R248 VanDerWaalsContact C-N 3.32Å
249N90.3Very high90.3Very high34 Ų3444.4 Ų44.418%0.18221%0.208CC..  trans-125.284.6-180-172.41.5000111.5L183 D245 Y246 V251 Q252L183-N249 HydrophobicContact CD2-CB 3.94Å; D245-N249 PolarHBondContact O-N 3.39Å; Y246-N249 CarbonylContact O-C 3.59Å; Y246-N249 VanDerWaalsContact O-C 3.24Å; Y246-N249 PolarHBondContact O-N 3.16Å; N249-V251 PolarHBondContact O-N 2.87Å; N249-V251 VanDerWaalsContact O-N 3.1Å; N249-V251 WeakPolarHBondContact OD1-CB 3.39Å; N249-V251 PolarHBondContact OD1-N 3.49Å; N249-Q252 HydrophobicContact CB-CG 4.23Å; N249-Q252 PolarHBondContact ND2-NE2 2.95Å; N249-Q252 PolarHBondContact O-N 3.38Å
250P90.4Very high90.5Very high5 Ų547.7 Ų47.73%0.03223%0.226CC..G310 helixtrans-67.5-13.7-176.929.2-37.3000113.4F181 Q252 C253 L331 Y334F181-P250 HydrophobicContact CD1-CG 4.02Å; F181-P250 HydrophobicContact CD2-CG 4.22Å; F181-P250 HydrophobicContact CE1-CG 3.44Å; F181-P250 VanDerWaalsContact CE1-CG 3.44Å; F181-P250 HydrophobicContact CE2-CG 3.66Å; F181-P250 HydrophobicContact CG-CG 4.39Å; F181-P250 HydrophobicContact CZ-CG 3.25Å; P250-Q252 PolarHBondContact O-N 3.35Å; P250-C253 WeakPolarHBondContact O-CB 3.18Å; P250-C253 PolarHBondContact O-N 3Å; P250-L331 HydrophobicContact CB-CD1 3.46Å; P250-L331 VanDerWaalsContact CB-CD1 3.46Å; P250-Y334 HydrophobicContact CB-CD1 3.68Å; P250-Y334 HydrophobicContact CB-CE1 3.74Å; P250-Y334 HydrophobicContact CG-CD1 3.84Å; P250-Y334 HydrophobicContact CG-CE1 3.64Å
251V88.5Confident90.6Very high63 Ų6348.4 Ų48.438%0.38223%0.231SC..G310 helixtrans-66.8-29178.1-175.20000111.3F181 N249 C253 Y254F181-V251 HydrophobicContact CD2-CG2 4.26Å; F181-V251 HydrophobicContact CE2-CG2 3.92Å; N249-V251 PolarHBondContact O-N 2.87Å; N249-V251 VanDerWaalsContact O-N 3.1Å; N249-V251 WeakPolarHBondContact OD1-CB 3.39Å; N249-V251 PolarHBondContact OD1-N 3.49Å; V251-C253 PolarHBondContact O-N 2.96Å; V251-Y254 WeakPolarHBondContact O-CD2 3.45Å; V251-Y254 PolarHBondContact O-N 3.31Å; V251-Y254 VanDerWaalsContact O-N 3.16Å
252Q89.1Confident90.7Very high44 Ų4448.3 Ų48.321%0.20623%0.231CC..G310 helixtrans-61.6-26.2176.5-65.4178.98.700112.5D245 Y246 N249 P250 Y254 E255 S258D245-Q252 PolarHBondContact OD2-NE2 2.99Å; Y246-Q252 HydrophobicContact CD1-CB 4.06Å; Y246-Q252 HydrophobicContact CE1-CB 4.25Å; N249-Q252 HydrophobicContact CB-CG 4.23Å; N249-Q252 PolarHBondContact ND2-NE2 2.95Å; N249-Q252 PolarHBondContact O-N 3.38Å; P250-Q252 PolarHBondContact O-N 3.35Å; Q252-Y254 PolarHBondContact O-N 3.23Å; Q252-Y254 VanDerWaalsContact O-N 3.16Å; Q252-E255 PolarHBondContact O-N 2.81Å; Q252-E255 VanDerWaalsContact O-N 3.09Å; Q252-S258 WeakPolarHBondContact O-CB 3.38Å
253C89.4Confident90.9Very high0 Ų048.6 Ų48.60%023%0.231CC..G310 helixtrans-67.7-11.6179.3-64.30000113.5P250 V251 W259 L335P250-C253 WeakPolarHBondContact O-CB 3.18Å; P250-C253 PolarHBondContact O-N 3Å; V251-C253 PolarHBondContact O-N 2.96Å; C253-W259 HydrophobicContact CB-CE3 3.87Å; C253-W259 HydrophobicContact CB-CZ3 4.04Å; C253-W259 VanDerWaalsContact O-CE3 3.23Å; C253-L335 HydrophobicContact CB-CD1 4.18Å; C253-L335 HydrophobicContact CB-CD2 4.03Å
254Y87.4Confident90.9Very high37 Ų3754.1 Ų54.115%0.14526%0.255CS..G310 helixtrans-84.5-12.2173.4-66.6-72.2000113.5V251 Q252 L335 K342 C346 L348V251-Y254 WeakPolarHBondContact O-CD2 3.45Å; V251-Y254 PolarHBondContact O-N 3.31Å; V251-Y254 VanDerWaalsContact O-N 3.16Å; Q252-Y254 PolarHBondContact O-N 3.23Å; Q252-Y254 VanDerWaalsContact O-N 3.16Å; Y254-L335 HydrophobicContact CE1-CD2 4.39Å; Y254-L335 HydrophobicContact CE2-CD2 3.71Å; Y254-L335 WeakPolarHBondContact OH-CA 3.35Å; Y254-L335 VanDerWaalsContact OH-CD2 3.29Å; Y254-L335 WeakPolarHBondContact OH-CD2 3.4Å; Y254-L335 PolarHBondContact OH-O 3.45Å; Y254-K342 WeakPolarHBondContact OH-CE 3.49Å; Y254-K342 PolarHBondContact OH-NZ 2.94Å; Y254-C346 VanDerWaalsContact CD1-C 3.49Å; Y254-C346 VanDerWaalsContact CD1-CA 3.5Å; Y254-C346 HydrophobicContact CD1-CB 3.9Å; Y254-C346 HydrophobicContact CD2-CB 3.84Å; Y254-C346 HydrophobicContact CE1-CB 3.82Å; Y254-C346 WeakPolarHBondContact CE1-O 3.4Å; Y254-C346 HydrophobicContact CE2-CB 3.76Å; Y254-C346 HydrophobicContact CG-CB 3.93Å; Y254-L348 HydrophobicContact CD1-CD2 4.06Å; Y254-L348 HydrophobicContact CE1-CD2 3.72Å; Y254-L348 HydrophobicContact CE1-CG 3.96Å
255E89.4Confident90.9Very high115 Ų11555 Ų5554%0.53726%0.258SS..SBendtrans-85.8136.1177-61.3176.7171.600110.9Q252 F257 S258 W259Q252-E255 PolarHBondContact O-N 2.81Å; Q252-E255 VanDerWaalsContact O-N 3.09Å; E255-F257 PolarHBondContact O-N 3.45Å; E255-S258 PolarHBondContact O-N 3.05Å; E255-S258 PolarHBondContact OE2-OG 2.9Å; E255-W259 VanDerWaalsContact O-CB 3.27Å; E255-W259 WeakPolarHBondContact O-CB 3.39Å; E255-W259 PolarHBondContact O-N 2.94Å
256K87.6Confident91.1Very high176 Ų17652.4 Ų52.477%0.76524%0.243SC*.Hα-helixtrans-58.2-46.6-173.9-66.4-174.5-180-176.60113.8I260K256-I260 VanDerWaalsContact O-CG1 3.31Å; K256-I260 WeakPolarHBondContact O-CG1 3.09Å; K256-I260 PolarHBondContact O-N 3.5Å; K256-I260 VanDerWaalsContact O-N 3.15Å
257F89.9Confident91.2Very high163 Ų16355.2 Ų55.272%0.71526%0.26SS*.Hα-helixtrans-70.1-44.3-177.1-178.8-95.9000111.9E255 W259 I260 T261E255-F257 PolarHBondContact O-N 3.45Å; F257-W259 VanDerWaalsContact C-N 3.33Å; F257-W259 PolarHBondContact O-N 3.02Å; F257-I260 PolarHBondContact O-N 3.3Å; F257-T261 PolarHBondContact O-N 3.35Å; F257-T261 VanDerWaalsContact O-N 3.09Å; F257-T261 PolarHBondContact O-OG1 3.31Å
258S91.5Very high91.1Very high14 Ų1456.6 Ų56.610%0.09827%0.267CS..Hα-helixtrans-60.9-42.3176.3-580000111.1Q252 E255 T261 F262Q252-S258 WeakPolarHBondContact O-CB 3.38Å; E255-S258 PolarHBondContact O-N 3.05Å; E255-S258 PolarHBondContact OE2-OG 2.9Å; S258-T261 PolarHBondContact O-N 3.14Å; S258-F262 WeakPolarHBondContact O-CB 3.45Å; S258-F262 PolarHBondContact O-N 3.24Å
259W91.9Very high91.1Very high11 Ų1154 Ų544%0.04226%0.257CS..Hα-helixtrans-62-47.5175.3-177.7-101.9000113.1C253 E255 F257 T261 F262 L263 L335 Q352 W355 M356C253-W259 HydrophobicContact CB-CE3 3.87Å; C253-W259 HydrophobicContact CB-CZ3 4.04Å; C253-W259 VanDerWaalsContact O-CE3 3.23Å; E255-W259 VanDerWaalsContact O-CB 3.27Å; E255-W259 WeakPolarHBondContact O-CB 3.39Å; E255-W259 PolarHBondContact O-N 2.94Å; F257-W259 VanDerWaalsContact C-N 3.33Å; F257-W259 PolarHBondContact O-N 3.02Å; W259-T261 PolarHBondContact O-N 2.97Å; W259-F262 HydrophobicContact CE3-CD1 4.07Å; W259-F262 HydrophobicContact CH2-CD1 4.47Å; W259-F262 HydrophobicContact CH2-CE1 4.45Å; W259-F262 AromaticContact CZ3-CD1 3.92Å; W259-F262 HydrophobicContact CZ3-CD1 3.92Å; W259-F262 HydrophobicContact CZ3-CE1 4.11Å; W259-F262 WeakPolarHBondContact O-CB 3.29Å; W259-F262 PolarHBondContact O-N 3.38Å; W259-L263 HydrophobicContact CZ2-CD2 3.89Å; W259-L263 HydrophobicContact CZ2-CG 4.45Å; W259-L263 WeakPolarHBondContact O-CG 3.46Å; W259-L263 PolarHBondContact O-N 2.94Å; W259-L335 HydrophobicContact CZ3-CD1 4.12Å; W259-Q352 VanDerWaalsContact CG-NE2 3.28Å; W259-Q352 HydrophobicContact CZ2-CB 3.81Å; W259-Q352 HydrophobicContact CZ2-CG 4.06Å; W259-W355 HydrophobicContact CH2-CE3 4.15Å; W259-W355 HydrophobicContact CH2-CZ3 4.06Å; W259-W355 AromaticContact CZ2-CE3 3.92Å; W259-W355 HydrophobicContact CZ2-CE3 3.92Å; W259-W355 HydrophobicContact CZ2-CZ3 4.2Å; W259-M356 HydrophobicContact CH2-CG 3.98Å; W259-M356 HydrophobicContact CH2-SD 4.01Å; W259-M356 HydrophobicContact CZ2-CG 4.49Å
260I91.9Very high91.1Very high110 Ų11052.5 Ų52.556%0.56425%0.249SC*.Hα-helixtrans-60.2-39.4178.1-68165.7000111K256 F257 K264K256-I260 VanDerWaalsContact O-CG1 3.31Å; K256-I260 WeakPolarHBondContact O-CG1 3.09Å; K256-I260 PolarHBondContact O-N 3.5Å; K256-I260 VanDerWaalsContact O-N 3.15Å; F257-I260 PolarHBondContact O-N 3.3Å; I260-K264 PolarHBondContact O-N 3.48Å; I260-K264 VanDerWaalsContact O-N 3.14Å
261T92.7Very high91.1Very high23 Ų2354.9 Ų54.914%0.14127%0.269CS..Hα-helixtrans-66.2-44.8176.9-55.40000111.2F257 S258 W259 K264 Y265F257-T261 PolarHBondContact O-N 3.35Å; F257-T261 VanDerWaalsContact O-N 3.09Å; F257-T261 PolarHBondContact O-OG1 3.31Å; S258-T261 PolarHBondContact O-N 3.14Å; W259-T261 PolarHBondContact O-N 2.97Å; T261-K264 PolarHBondContact O-N 3.26Å; T261-Y265 HydrophobicContact CG2-CD2 3.88Å; T261-Y265 HydrophobicContact CG2-CE1 4.17Å; T261-Y265 HydrophobicContact CG2-CE2 3.36Å; T261-Y265 HydrophobicContact CG2-CG 4.47Å; T261-Y265 PolarHBondContact O-N 2.94Å
262F94.2Very high91.2Very high0 Ų053.4 Ų53.40%026%0.26CS..Hα-helixtrans-59.8-44.6175.8173.5-101.1000112.5L243 Y246 S258 W259 Y265 S266 Y328 L331 F332 W355L243-F262 HydrophobicContact CD2-CD2 3.67Å; L243-F262 HydrophobicContact CD2-CE2 3.95Å; Y246-F262 HydrophobicContact CD2-CB 4.23Å; Y246-F262 AromaticContact CD2-CD2 3.9Å; Y246-F262 HydrophobicContact CD2-CD2 3.9Å; Y246-F262 HydrophobicContact CE2-CB 4.29Å; Y246-F262 HydrophobicContact CG-CB 4.41Å; Y246-F262 AromaticContact CG-CD2 3.93Å; Y246-F262 HydrophobicContact CG-CD2 3.93Å; S258-F262 WeakPolarHBondContact O-CB 3.45Å; S258-F262 PolarHBondContact O-N 3.24Å; W259-F262 HydrophobicContact CE3-CD1 4.07Å; W259-F262 HydrophobicContact CH2-CD1 4.47Å; W259-F262 HydrophobicContact CH2-CE1 4.45Å; W259-F262 AromaticContact CZ3-CD1 3.92Å; W259-F262 HydrophobicContact CZ3-CD1 3.92Å; W259-F262 HydrophobicContact CZ3-CE1 4.11Å; W259-F262 WeakPolarHBondContact O-CB 3.29Å; W259-F262 PolarHBondContact O-N 3.38Å; F262-Y265 PolarHBondContact O-N 3.42Å; F262-S266 WeakPolarHBondContact CE2-OG 3.48Å; F262-S266 WeakPolarHBondContact O-CB 3.45Å; F262-S266 PolarHBondContact O-N 3.06Å; F262-S266 PolarHBondContact O-OG 3.36Å; F262-Y328 HydrophobicContact CE2-CE1 4.22Å; F262-Y328 HydrophobicContact CZ-CD1 4.32Å; F262-Y328 AromaticContact CZ-CE1 3.85Å; F262-Y328 HydrophobicContact CZ-CE1 3.85Å; F262-L331 HydrophobicContact CE1-CD2 4.49Å; F262-L331 HydrophobicContact CE2-CD2 3.9Å; F262-L331 HydrophobicContact CZ-CD2 3.62Å; F262-F332 HydrophobicContact CE1-CE1 4.35Å; F262-F332 HydrophobicContact CZ-CE1 4.33Å; F262-W355 AromaticContact CE1-CH2 3.95Å; F262-W355 HydrophobicContact CE1-CH2 3.95Å; F262-W355 HydrophobicContact CE1-CZ3 4.02Å
263L93.3Very high91.2Very high38 Ų3851.6 Ų51.620%0.19925%0.252CS..Hα-helixtrans-55.7-55.2175.1-73177.8000110.7W259 Y265 S266 D267 W355W259-L263 HydrophobicContact CZ2-CD2 3.89Å; W259-L263 HydrophobicContact CZ2-CG 4.45Å; W259-L263 WeakPolarHBondContact O-CG 3.46Å; W259-L263 PolarHBondContact O-N 2.94Å; L263-Y265 PolarHBondContact O-N 3.21Å; L263-S266 PolarHBondContact O-N 3.49Å; L263-D267 PolarHBondContact O-N 2.95Å; L263-W355 HydrophobicContact CD2-CD2 3.21Å; L263-W355 HydrophobicContact CD2-CE3 3.42Å; L263-W355 VanDerWaalsContact CD2-CE3 3.42Å; L263-W355 HydrophobicContact CD2-CG 3.83Å; L263-W355 HydrophobicContact CD2-CH2 3.67Å; L263-W355 HydrophobicContact CD2-CZ2 3.45Å; L263-W355 VanDerWaalsContact CD2-CZ2 3.45Å; L263-W355 HydrophobicContact CD2-CZ3 3.65Å
264K93.1Very high91.1Very high120 Ų12057.3 Ų57.352%0.52228%0.277SS..Hα-helixtrans-57.9-47.4-177.8-176.3179.9178.8179.90112I260 T261 S266 E268I260-K264 PolarHBondContact O-N 3.48Å; I260-K264 VanDerWaalsContact O-N 3.14Å; T261-K264 PolarHBondContact O-N 3.26Å; K264-S266 VanDerWaalsContact C-N 3.34Å; K264-E268 WeakPolarHBondContact CE-OE1 3.37Å; K264-E268 WeakPolarHBondContact O-CG 3.42Å; K264-E268 PolarHBondContact O-N 2.99Å
265Y93.7Very high91.1Very high37 Ų3760.2 Ų60.215%0.14530%0.303CS..Hα-helixtrans-70.6-33.3-178.2-65.2-6.8000112K239 T242 T261 F262 L263 T269K239-Y265 HydrophobicContact CB-CD1 4.06Å; K239-Y265 HydrophobicContact CB-CD2 4.37Å; K239-Y265 HydrophobicContact CB-CE1 4.43Å; K239-Y265 HydrophobicContact CB-CG 4.04Å; K239-Y265 HydrophobicContact CD-CD1 3.82Å; K239-Y265 HydrophobicContact CD-CE1 3.95Å; K239-Y265 HydrophobicContact CG-CD1 3.69Å; K239-Y265 HydrophobicContact CG-CE1 3.66Å; K239-Y265 HydrophobicContact CG-CE2 4.47Å; K239-Y265 HydrophobicContact CG-CG 4.15Å; T242-Y265 HydrophobicContact CG2-CD2 4.26Å; T242-Y265 HydrophobicContact CG2-CE2 3.9Å; T261-Y265 HydrophobicContact CG2-CD2 3.88Å; T261-Y265 HydrophobicContact CG2-CE1 4.17Å; T261-Y265 HydrophobicContact CG2-CE2 3.36Å; T261-Y265 HydrophobicContact CG2-CG 4.47Å; T261-Y265 PolarHBondContact O-N 2.94Å; F262-Y265 PolarHBondContact O-N 3.42Å; L263-Y265 PolarHBondContact O-N 3.21Å; Y265-T269 WeakPolarHBondContact O-CB 3.37Å; Y265-T269 PolarHBondContact O-N 3.23Å; Y265-T269 PolarHBondContact O-OG1 3.42Å
266S93.8Very high90.7Very high0 Ų057 Ų570%029%0.287CS..Hα-helixtrans-69-45.6176.4-62.70000112.1L243 F262 L263 K264 E268 T269 L270 Y328L243-S266 WeakPolarHBondContact CD2-OG 3.43Å; F262-S266 WeakPolarHBondContact CE2-OG 3.48Å; F262-S266 WeakPolarHBondContact O-CB 3.45Å; F262-S266 PolarHBondContact O-N 3.06Å; F262-S266 PolarHBondContact O-OG 3.36Å; L263-S266 PolarHBondContact O-N 3.49Å; K264-S266 VanDerWaalsContact C-N 3.34Å; S266-E268 VanDerWaalsContact C-N 3.32Å; S266-E268 PolarHBondContact O-N 3.21Å; S266-T269 PolarHBondContact O-N 3.23Å; S266-L270 WeakPolarHBondContact O-CB 3.46Å; S266-L270 VanDerWaalsContact O-CG 3.31Å; S266-L270 WeakPolarHBondContact O-CG 3.3Å; S266-L270 PolarHBondContact O-N 3.3Å; S266-Y328 WeakPolarHBondContact CA-OH 3.45Å; S266-Y328 VanDerWaalsContact CB-OH 3.28Å; S266-Y328 WeakPolarHBondContact CB-OH 3.44Å; S266-Y328 WeakPolarHBondContact OG-CE1 3.43Å; S266-Y328 PolarHBondContact OG-OH 2.89Å
267D92.9Very high90.4Very high80 Ų8055.2 Ų55.243%0.42828%0.279SS..Hα-helixtrans-60.5-43177.9-72.1-21.7000111.2L263 A271 W355L263-D267 PolarHBondContact O-N 2.95Å; D267-A271 WeakPolarHBondContact O-CB 3.39Å; D267-A271 PolarHBondContact O-N 3.03Å; D267-W355 PolarHBondContact OD1-NE1 3.47Å
268E90.8Very high89.8Confident61 Ų6148.8 Ų48.829%0.28525%0.252SS..Hα-helixtrans-63.4-44.4175.5-71.4-177.3-150.800112K239 K264 S266 A271 V272K239-E268 WeakPolarHBondContact CD-OE2 3.5Å; K239-E268 WeakPolarHBondContact CE-OE2 3.41Å; K239-E268 IonicContact NZ-OE1 2.81Å; K239-E268 PolarHBondContact NZ-OE1 3.37Å; K239-E268 IonicContact NZ-OE2 2.58Å; K239-E268 PolarHBondContact NZ-OE2 3.14Å; K264-E268 WeakPolarHBondContact CE-OE1 3.37Å; K264-E268 WeakPolarHBondContact O-CG 3.42Å; K264-E268 PolarHBondContact O-N 2.99Å; S266-E268 VanDerWaalsContact C-N 3.32Å; S266-E268 PolarHBondContact O-N 3.21Å; E268-A271 PolarHBondContact O-N 3.11Å; E268-V272 WeakPolarHBondContact O-CG2 3.46Å; E268-V272 PolarHBondContact O-N 3.24Å; E268-V272 VanDerWaalsContact O-N 3.11Å
269T90.6Very high88.6Confident2 Ų255.3 Ų55.31%0.01229%0.286CS..Hα-helixtrans-66.5-45.3-179.9-59.60000112F240 L243 Y265 S266 A271 V272 F273F240-T269 HydrophobicContact CD2-CG2 3.67Å; F240-T269 HydrophobicContact CE2-CG2 3.96Å; L243-T269 HydrophobicContact CD1-CG2 4.39Å; L243-T269 VanDerWaalsContact CD1-OG1 3.31Å; L243-T269 WeakPolarHBondContact CD1-OG1 3.5Å; Y265-T269 WeakPolarHBondContact O-CB 3.37Å; Y265-T269 PolarHBondContact O-N 3.23Å; Y265-T269 PolarHBondContact O-OG1 3.42Å; S266-T269 PolarHBondContact O-N 3.23Å; T269-A271 VanDerWaalsContact C-N 3.32Å; T269-A271 PolarHBondContact O-N 2.86Å; T269-V272 WeakPolarHBondContact O-CB 2.97Å; T269-V272 PolarHBondContact O-N 3.44Å; T269-F273 HydrophobicContact CG2-CE2 4.13Å; T269-F273 HydrophobicContact CG2-CZ 4.23Å; T269-F273 PolarHBondContact O-N 3.33Å
270L91.6Very high86.9Confident3 Ų358.9 Ų58.92%0.01631%0.306CS..Hα-helixtrans-68.5-31.9178-67174.2000111.8S266 V272 F273 K274 L325 Y328 T359 L362 V363 L366S266-L270 WeakPolarHBondContact O-CB 3.46Å; S266-L270 VanDerWaalsContact O-CG 3.31Å; S266-L270 WeakPolarHBondContact O-CG 3.3Å; S266-L270 PolarHBondContact O-N 3.3Å; L270-V272 VanDerWaalsContact C-N 3.34Å; L270-F273 HydrophobicContact CD2-CD2 4.29Å; L270-F273 PolarHBondContact O-N 2.9Å; L270-K274 WeakPolarHBondContact O-CB 3.21Å; L270-K274 PolarHBondContact O-N 3.17Å; L270-L325 HydrophobicContact CD2-CD2 3.81Å; L270-Y328 HydrophobicContact CD2-CE2 4.28Å; L270-T359 HydrophobicContact CD1-CG2 3.5Å; L270-T359 VanDerWaalsContact CD1-CG2 3.5Å; L270-L362 HydrophobicContact CB-CD2 4.33Å; L270-L362 HydrophobicContact CD1-CD2 4.37Å; L270-V363 HydrophobicContact CD2-CG2 4.24Å; L270-L366 HydrophobicContact CD2-CD1 4.11Å
271A90.9Very high85.4Confident55 Ų5557.2 Ų57.246%0.45530%0.297SS..Hα-helixtrans-63.8-38.1171.200000112.1D267 E268 T269 K274 S275D267-A271 WeakPolarHBondContact O-CB 3.39Å; D267-A271 PolarHBondContact O-N 3.03Å; E268-A271 PolarHBondContact O-N 3.11Å; T269-A271 VanDerWaalsContact C-N 3.32Å; T269-A271 PolarHBondContact O-N 2.86Å; A271-K274 PolarHBondContact O-N 3.46Å; A271-S275 WeakPolarHBondContact O-CB 3.48Å; A271-S275 PolarHBondContact O-N 3.02Å; A271-S275 PolarHBondContact O-OG 3.39Å
272V88.9Confident83.5Confident32 Ų3262.6 Ų62.619%0.19432%0.32CS..Hα-helixtrans-63.4-46.3172.51730000110.9L236 E268 T269 L270 K274 S275 F276L236-V272 HydrophobicContact CD1-CG2 3.92Å; L236-V272 HydrophobicContact CD2-CG1 4.46Å; L236-V272 HydrophobicContact CD2-CG2 4.11Å; E268-V272 WeakPolarHBondContact O-CG2 3.46Å; E268-V272 PolarHBondContact O-N 3.24Å; E268-V272 VanDerWaalsContact O-N 3.11Å; T269-V272 WeakPolarHBondContact O-CB 2.97Å; T269-V272 PolarHBondContact O-N 3.44Å; L270-V272 VanDerWaalsContact C-N 3.34Å; V272-K274 VanDerWaalsContact C-N 3.3Å; V272-K274 PolarHBondContact O-N 2.68Å; V272-S275 WeakPolarHBondContact CA-OG 3.13Å; V272-S275 PolarHBondContact O-N 2.88Å; V272-S275 PolarHBondContact O-OG 3.08Å; V272-F276 PolarHBondContact O-N 2.73Å
273F88.9Confident81.4Confident7 Ų766.6 Ų66.63%0.03135%0.353CS..Hα-helixtrans-63.9-33.3176.7-68.9-18.1000113.7F240 T269 L270 F276 L315 R321 I324 L325 L366F240-F273 HydrophobicContact CE2-CZ 4.18Å; T269-F273 HydrophobicContact CG2-CE2 4.13Å; T269-F273 HydrophobicContact CG2-CZ 4.23Å; T269-F273 PolarHBondContact O-N 3.33Å; L270-F273 HydrophobicContact CD2-CD2 4.29Å; L270-F273 PolarHBondContact O-N 2.9Å; F273-F276 VanDerWaalsContact O-O 3.06Å; F273-L315 HydrophobicContact CD1-CD2 4.35Å; F273-L315 HydrophobicContact CE1-CD2 3.59Å; F273-R321 HydrophobicContact CD1-CG 4.42Å; F273-R321 HydrophobicContact CE1-CG 4.12Å; F273-R321 HydrophobicContact CZ-CG 4.41Å; F273-R321 PolarHBondContact O-NH1 2.9Å; F273-I324 HydrophobicContact CE2-CB 4.28Å; F273-I324 HydrophobicContact CE2-CG2 3.94Å; F273-I324 HydrophobicContact CZ-CB 4.39Å; F273-I324 HydrophobicContact CZ-CG2 4.25Å; F273-L325 HydrophobicContact CD2-CD2 4.06Å; F273-L325 HydrophobicContact CD2-CG 4.49Å; F273-L325 HydrophobicContact CE2-CD2 4.37Å; F273-L366 HydrophobicContact CB-CD1 4.15Å
274K88.8Confident79.5Confident120 Ų12067.6 Ų67.652%0.52236%0.363SS..Hα-helixtrans-74.4-37.4177.1-173.2177.3-178176.50112.8L270 A271 V272 L362 L366L270-K274 WeakPolarHBondContact O-CB 3.21Å; L270-K274 PolarHBondContact O-N 3.17Å; A271-K274 PolarHBondContact O-N 3.46Å; V272-K274 VanDerWaalsContact C-N 3.3Å; V272-K274 PolarHBondContact O-N 2.68Å; K274-L362 HydrophobicContact CD-CD1 4.43Å; K274-L366 HydrophobicContact CB-CD2 4.23Å
275S87.1Confident77.7Confident98 Ų9868.3 Ų68.369%0.68537%0.366SS*.Hα-helixtrans-76-35.4-179.154.60000112.4A271 V272A271-S275 WeakPolarHBondContact O-CB 3.48Å; A271-S275 PolarHBondContact O-N 3.02Å; A271-S275 PolarHBondContact O-OG 3.39Å; V272-S275 WeakPolarHBondContact CA-OG 3.13Å; V272-S275 PolarHBondContact O-N 2.88Å; V272-S275 PolarHBondContact O-OG 3.08Å
276F81.6Confident75.8Confident47 Ų4776 Ų7621%0.20640%0.395CS..SBendtrans-96.6102.2176.2-167-83.7000110.6I230 V272 F273 L278 R321I230-F276 HydrophobicContact CD1-CD2 3.66Å; I230-F276 HydrophobicContact CD1-CE1 4.49Å; I230-F276 HydrophobicContact CD1-CE2 3.59Å; I230-F276 HydrophobicContact CD1-CG 4.17Å; I230-F276 HydrophobicContact CD1-CZ 3.99Å; I230-F276 HydrophobicContact CG1-CD2 3.83Å; I230-F276 HydrophobicContact CG1-CE2 3.58Å; I230-F276 HydrophobicContact CG1-CZ 4.33Å; V272-F276 PolarHBondContact O-N 2.73Å; F273-F276 VanDerWaalsContact O-O 3.06Å; F276-L278 HydrophobicContact CD1-CD2 4.16Å; F276-L278 HydrophobicContact CE1-CD2 3.83Å; F276-R321 PolarHBondContact O-NH1 3.25Å
277K79.6Confident73.9Confident138 Ų13882.2 Ų82.260%0.642%0.422SS*.PPolyproline II helixtrans-86.6133.6172.7-63-165.2179.7-132.40110.1E369K277-E369 IonicContact NZ-OE1 3.04Å; K277-E369 IonicContact NZ-OE2 2.78Å; K277-E369 PolarHBondContact NZ-OE2 3.05Å
278L78.6Confident72Confident28 Ų2882.9 Ų82.915%0.14743%0.425CS..PPolyproline II helixtrans-73.9131.3173.6-64178.7000108.9F276 S316 I370F276-L278 HydrophobicContact CD1-CD2 4.16Å; F276-L278 HydrophobicContact CE1-CD2 3.83Å; L278-S316 VanDerWaalsContact CD2-O 3.27Å; L278-S316 WeakPolarHBondContact CD2-O 3.42Å; L278-I370 HydrophobicContact CD1-CG2 4.29Å
279D65.1Low70.3Confident152 Ų15286.4 Ų86.481%0.81344%0.442SS*.PPolyproline II helixtrans-79.8154.1171.7-151.2-1.1000110.3M281D279-M281 PolarHBondContact O-N 3.07Å
280D56.9Low68.5Low86 Ų8692.5 Ų92.546%0.4647%0.47SS..  trans-62.4110.3-170.4-163.713.8000110.6Q282 P371D280-Q282 HydrophobicContact CB-CG 4.5Å; D280-Q282 PolarHBondContact O-N 2.89Å; D280-Q282 PolarHBondContact OD2-NE2 2.67Å; D280-P371 WeakPolarHBondContact OD1-CB 3.49Å
281M60.6Low66.7Low75 Ų7597.5 Ų97.537%0.36950%0.496SS..THydrogen-bonded Turntrans-79.338.3-165.8-153.9153.16300112.5D279 A283 S284 K285 S318D279-M281 PolarHBondContact O-N 3.07Å; M281-A283 PolarHBondContact O-N 3.21Å; M281-S284 PolarHBondContact O-N 3.48Å; M281-S284 VanDerWaalsContact O-N 3.09Å; M281-K285 PolarHBondContact O-N 3.44Å; M281-S318 VanDerWaalsContact CE-OG 3.27Å; M281-S318 WeakPolarHBondContact CE-OG 3.37Å
282Q52.2Low65.1Low136 Ų136103.1 Ų103.164%0.63651%0.505SS*.Hα-helixtrans-60.1-27.8177.5-63.4-170.16.200112.1D280D280-Q282 HydrophobicContact CB-CG 4.5Å; D280-Q282 PolarHBondContact O-N 2.89Å; D280-Q282 PolarHBondContact OD2-NE2 2.67Å
283A49.5Very low63.4Low84 Ų84107.2 Ų107.269%0.69453%0.531SS*.Hα-helixtrans-66.8-34.2174.800000113.2M281M281-A283 PolarHBondContact O-N 3.21Å
284S54.2Low61.5Low58 Ų58110 Ų11041%0.40656%0.555SS.*Hα-helixtrans-78.1-29.4-179.2-164.20000112.3M281 R286 K287 L288M281-S284 PolarHBondContact O-N 3.48Å; M281-S284 VanDerWaalsContact O-N 3.09Å; S284-R286 VanDerWaalsContact C-N 3.34Å; S284-R286 PolarHBondContact O-N 2.94Å; S284-K287 PolarHBondContact O-N 3.44Å; S284-L288 WeakPolarHBondContact O-CB 3.25Å; S284-L288 PolarHBondContact O-N 3.32Å
285K55.1Low59.3Low135 Ų135108.5 Ų108.559%0.58757%0.574SS**Hα-helixtrans-62.2-39.5176.6-122.7-177.8-177.6-178.70112.5M281 E289M281-K285 PolarHBondContact O-N 3.44Å; K285-E289 PolarHBondContact O-N 3.18Å; K285-E289 VanDerWaalsContact O-N 3.11Å
286R54.4Low57.4Low199 Ų199106.3 Ų106.375%0.75157%0.566SS**Hα-helixtrans-66.3-45.4174.8-76.6-177.6177.2175.2-0.2111.8S284 L288 E289 E290S284-R286 VanDerWaalsContact C-N 3.34Å; S284-R286 PolarHBondContact O-N 2.94Å; R286-L288 PolarHBondContact O-N 2.8Å; R286-E289 PolarHBondContact O-N 3.17Å; R286-E290 WeakPolarHBondContact O-CG 3.34Å; R286-E290 PolarHBondContact O-N 3.37Å
287K53.4Low55.9Low130 Ų130111.8 Ų111.857%0.56560%0.598SS**Hα-helixtrans-68.3-33.7179.8-151.2172.3-174.3179.50112.7S284 E290 L291S284-K287 PolarHBondContact O-N 3.44Å; K287-E290 PolarHBondContact O-N 3Å; K287-L291 WeakPolarHBondContact O-CD1 3.38Å; K287-L291 PolarHBondContact O-N 2.92Å
288L52.9Low54.7Low94 Ų94111.2 Ų111.249%0.49260%0.597SS.*Hα-helixtrans-74.1-32.5176.8-172.365.6000112.8S284 R286 R292S284-L288 WeakPolarHBondContact O-CB 3.25Å; S284-L288 PolarHBondContact O-N 3.32Å; R286-L288 PolarHBondContact O-N 2.8Å; L288-R292 PolarHBondContact O-N 3.12Å; L288-R292 VanDerWaalsContact O-N 3.12Å
289E56.1Low54.1Low136 Ų136115.2 Ų115.264%0.63662%0.623SS**Hα-helixtrans-71.9-34.7170.2-79.3-154.2159.500112.7K285 R286 R292 T293K285-E289 PolarHBondContact O-N 3.18Å; K285-E289 VanDerWaalsContact O-N 3.11Å; R286-E289 PolarHBondContact O-N 3.17Å; E289-R292 PolarHBondContact O-N 3.31Å; E289-T293 PolarHBondContact O-N 3.48Å; E289-T293 PolarHBondContact O-OG1 3.38Å
290E53.2Low54.6Low129 Ų129117.5 Ų117.560%0.60362%0.621SS**Hα-helixtrans-64.7-38.8171.5-75.6171172.600111.9R286 K287 R292 T293 A294R286-E290 WeakPolarHBondContact O-CG 3.34Å; R286-E290 PolarHBondContact O-N 3.37Å; K287-E290 PolarHBondContact O-N 3Å; E290-R292 VanDerWaalsContact C-N 3.33Å; E290-R292 PolarHBondContact O-N 2.83Å; E290-T293 WeakPolarHBondContact CA-OG1 2.97Å; E290-T293 PolarHBondContact O-N 3.3Å; E290-T293 PolarHBondContact O-OG1 3.33Å; E290-A294 PolarHBondContact O-N 2.83Å
291L53.6Low55.6Low108 Ų108119.9 Ų119.957%0.56563%0.628SS**Hα-helixtrans-71-23.5173.5-86.2153.3000113.9K287 A294K287-L291 WeakPolarHBondContact O-CD1 3.38Å; K287-L291 PolarHBondContact O-N 2.92Å; L291-A294 VanDerWaalsContact O-O 3.06Å
292R55.7Low56.3Low173 Ų173119.6 Ų119.665%0.65364%0.637SS**Hα-helixtrans-76.8-24172.9-91.6177.9161.4177.6-4.1113.2L288 E289 E290 H298L288-R292 PolarHBondContact O-N 3.12Å; L288-R292 VanDerWaalsContact O-N 3.12Å; E289-R292 PolarHBondContact O-N 3.31Å; E290-R292 VanDerWaalsContact C-N 3.33Å; E290-R292 PolarHBondContact O-N 2.83Å; R292-H298 WeakPolarHBondContact CG-NE2 3.39Å
293T53.8Low57.8Low119 Ų119119.5 Ų119.573%0.7364%0.635SS**Hα-helixtrans-90.9-24.6-179.229.80000112.6E289 E290 G295E289-T293 PolarHBondContact O-N 3.48Å; E289-T293 PolarHBondContact O-OG1 3.38Å; E290-T293 WeakPolarHBondContact CA-OG1 2.97Å; E290-T293 PolarHBondContact O-N 3.3Å; E290-T293 PolarHBondContact O-OG1 3.33Å; T293-G295 PolarHBondContact O-N 2.7Å
294A48.5Very low59.5Low64 Ų64118.4 Ų118.453%0.52961%0.614SS.*SBendtrans-80.7108.5163.700000108.7E290 L291 G296E290-A294 PolarHBondContact O-N 2.83Å; L291-A294 VanDerWaalsContact O-O 3.06Å; A294-G296 PolarHBondContact O-N 3.41Å
295G44.1Very low61Low89 Ų89119 Ų11992%0.91861%0.613SS**  trans-64.848.4-173.400000116.9T293T293-G295 PolarHBondContact O-N 2.7Å
296G45.5Very low62.5Low52 Ų52114.3 Ų114.354%0.53660%0.596SS.*  trans-76.9142.3167.700000110.9A294 H298A294-G296 PolarHBondContact O-N 3.41Å; G296-H298 PolarHBondContact O-N 2.94Å; G296-H298 VanDerWaalsContact O-N 3.08Å
297D51.2Low63.9Low163 Ų163107.3 Ų107.387%0.87258%0.577SS**  trans-54.2116.4170.3-92.4-25.4000109.2V299D297-V299 PolarHBondContact O-N 3.02Å
298H54.9Low65.3Low126 Ų126101.4 Ų101.458%0.58355%0.551SS**  trans-63.2100.1172.5-84.4-59.2000109.1R292 G296 Y300R292-H298 WeakPolarHBondContact CG-NE2 3.39Å; G296-H298 PolarHBondContact O-N 2.94Å; G296-H298 VanDerWaalsContact O-N 3.08Å; H298-Y300 PolarHBondContact O-N 3.39Å
299V66.3Low66.7Low112 Ų112103.6 Ų103.668%0.67956%0.557SS**  trans-69.2105.6173.8-177.10000108.8D297 F301D297-V299 PolarHBondContact O-N 3.02Å; V299-F301 HydrophobicContact CG1-CE1 4.26Å; V299-F301 HydrophobicContact CG1-CZ 4.21Å
300Y74.3Confident68Low199 Ų199100.2 Ų100.278%0.7854%0.543SS*.  trans-88.4121.5177.9179.5-98.4000111.1H298 A302H298-Y300 PolarHBondContact O-N 3.39Å; Y300-A302 HydrophobicContact CD1-CB 4.34Å; Y300-A302 HydrophobicContact CE1-CB 4.13Å; Y300-A302 PolarHBondContact O-N 3.16Å
301F77.4Confident69.5Low136 Ų13694.1 Ų94.160%0.59651%0.514SS*.  trans-85.5103.7176.1-60.2-75.6000110.8V299 K303 L305V299-F301 HydrophobicContact CG1-CE1 4.26Å; V299-F301 HydrophobicContact CG1-CZ 4.21Å; F301-K303 VanDerWaalsContact C-N 3.35Å; F301-K303 PolarHBondContact O-N 3.45Å; F301-L305 HydrophobicContact CD1-CD1 4.35Å; F301-L305 HydrophobicContact CD1-CD2 4.14Å
302A77Confident70.8Confident69 Ų6991.4 Ų91.457%0.5750%0.5SS*.  trans-75.3-19.5-17800000114.5Y300Y300-A302 HydrophobicContact CD1-CB 4.34Å; Y300-A302 HydrophobicContact CE1-CB 4.13Å; Y300-A302 PolarHBondContact O-N 3.16Å
303K82.8Confident72.2Confident135 Ų13588.5 Ų88.559%0.58750%0.497SS*.SBendtrans-127.5159.1-179.6-71.5-165.3175.8-162.30111N185 F301N185-K303 WeakPolarHBondContact OD1-CE 3.44Å; N185-K303 PolarHBondContact OD1-NZ 3.18Å; F301-K303 VanDerWaalsContact C-N 3.35Å; F301-K303 PolarHBondContact O-N 3.45Å
304F86.3Confident73.7Confident60 Ų6083.7 Ų83.726%0.26347%0.467SS..  trans-61.5137.7171.4-64.4-48000111.5W241 F320 H323 I324W241-F304 HydrophobicContact CH2-CB 3.72Å; W241-F304 HydrophobicContact CH2-CG 4.2Å; W241-F304 HydrophobicContact CZ3-CB 3.81Å; W241-F304 HydrophobicContact CZ3-CD2 4.07Å; W241-F304 HydrophobicContact CZ3-CG 4.09Å; F304-F320 HydrophobicContact CD1-CD2 4.31Å; F304-F320 AromaticContact CD1-CE2 3.97Å; F304-F320 HydrophobicContact CD1-CE2 3.97Å; F304-F320 HydrophobicContact CE1-CD2 4.36Å; F304-F320 HydrophobicContact CE1-CE2 4.23Å; F304-H323 HydrophobicContact CE1-CB 4.29Å; F304-H323 HydrophobicContact CZ-CB 4.36Å; F304-I324 HydrophobicContact CZ-CD1 4.38Å
305L85.7Confident75.4Confident72 Ų7280.8 Ų80.838%0.37744%0.442SS..  trans-87.3108.7173.4-55.3169.5000107.6F301 S307 L310 Q314F301-L305 HydrophobicContact CD1-CD1 4.35Å; F301-L305 HydrophobicContact CD1-CD2 4.14Å; L305-S307 VanDerWaalsContact C-N 3.25Å; L305-S307 PolarHBondContact O-N 2.62Å; L305-L310 HydrophobicContact CD1-CD2 4.46Å; L305-Q314 PolarHBondContact O-NE2 3.33Å; L305-Q314 PolarHBondContact O-OE1 3.11Å
306T86.1Confident77.3Confident36 Ų3678.3 Ų78.322%0.22141%0.411CS..  trans-92.427.1-173.750.60000112.4T187 V188 F189 Y237 W241T187-T306 HydrophobicContact CG2-CG2 3.46Å; T187-T306 VanDerWaalsContact CG2-CG2 3.46Å; V188-T306 WeakPolarHBondContact O-CB 3.23Å; V188-T306 WeakPolarHBondContact O-CG2 3.28Å; V188-T306 PolarHBondContact O-OG1 2.94Å; F189-T306 HydrophobicContact CB-CG2 4.29Å; Y237-T306 PolarHBondContact OH-O 2.65Å; W241-T306 HydrophobicContact CD2-CG2 4.07Å; W241-T306 HydrophobicContact CE3-CG2 3.97Å; W241-T306 HydrophobicContact CH2-CG2 4.02Å; W241-T306 HydrophobicContact CZ2-CG2 4.09Å; W241-T306 HydrophobicContact CZ3-CG2 3.96Å
307S84.3Confident79.3Confident51 Ų5178.6 Ų78.636%0.35740%0.4SS..  trans-79.8133.8178.5178.80000110.5L305 K309 L310L305-S307 VanDerWaalsContact C-N 3.25Å; L305-S307 PolarHBondContact O-N 2.62Å; S307-K309 VanDerWaalsContact C-N 3.27Å; S307-K309 PolarHBondContact O-N 3.47Å; S307-L310 VanDerWaalsContact CB-CD1 3.41Å; S307-L310 PolarHBondContact O-N 3.06Å
308E82.4Confident81Confident7 Ų771 Ų713%0.03336%0.36CS..G310 helixtrans-59-38.8179.2-68.4175.3-168.300112.5N190 S196 T197 L198 Y237 L310 M311N190-E308 VanDerWaalsContact CB-OE1 3.23Å; N190-E308 WeakPolarHBondContact CB-OE1 3.38Å; N190-E308 PolarHBondContact ND2-OE1 3.24Å; S196-E308 WeakPolarHBondContact CA-OE2 3.5Å; S196-E308 PolarHBondContact OG-OE2 3.4Å; T197-E308 PolarHBondContact N-OE2 3.3Å; T197-E308 PolarHBondContact OG1-OE2 2.98Å; T197-E308 VanDerWaalsContact OG1-OE2 3.05Å; L198-E308 HydrophobicContact CD1-CB 3.87Å; L198-E308 HydrophobicContact CD1-CG 4.21Å; L198-E308 HydrophobicContact CG-CB 3.9Å; Y237-E308 HydrophobicContact CD1-CG 4.01Å; Y237-E308 HydrophobicContact CD2-CG 4.12Å; Y237-E308 HydrophobicContact CE1-CG 3.64Å; Y237-E308 HydrophobicContact CE2-CB 4.32Å; Y237-E308 HydrophobicContact CE2-CG 3.74Å; Y237-E308 HydrophobicContact CG-CG 4.24Å; Y237-E308 VanDerWaalsContact CZ-CG 3.49Å; E308-L310 PolarHBondContact O-N 3.43Å; E308-M311 WeakPolarHBondContact O-CB 3.4Å; E308-M311 PolarHBondContact O-N 3.11Å
309K81.5Confident82.6Confident140 Ų14069 Ų6961%0.60935%0.353SS*.G310 helixtrans-70.4-16.1-178.2-61.8-175.9-179.2179.70114S307 D312S307-K309 VanDerWaalsContact C-N 3.27Å; S307-K309 PolarHBondContact O-N 3.47Å; K309-D312 VanDerWaalsContact O-OD1 3.13Å
310L84.1Confident83.7Confident65 Ų6564.1 Ų64.134%0.3432%0.323SS..G310 helixtrans-99-3.7-179.4-79.6110.6000112.9L305 S307 E308 D312 L313 Q314L305-L310 HydrophobicContact CD1-CD2 4.46Å; S307-L310 VanDerWaalsContact CB-CD1 3.41Å; S307-L310 PolarHBondContact O-N 3.06Å; E308-L310 PolarHBondContact O-N 3.43Å; L310-D312 VanDerWaalsContact C-N 3.25Å; L310-D312 PolarHBondContact O-N 3.25Å; L310-L313 PolarHBondContact O-N 3.47Å; L310-Q314 WeakPolarHBondContact O-CB 3.33Å; L310-Q314 WeakPolarHBondContact O-CG 3.42Å; L310-Q314 PolarHBondContact O-N 3.5Å
311M83.4Confident84.4Confident1 Ų155 Ų551%0.00529%0.287CS..Hα-helixtrans-62.7-33.6-172.1-172.366.8-173.100112.1I232 Y237 F240 E308 L315I232-M311 VanDerWaalsContact CD1-C 3.47Å; I232-M311 HydrophobicContact CD1-CB 3.74Å; I232-M311 HydrophobicContact CD1-CG 3.8Å; I232-M311 HydrophobicContact CG2-CB 4.22Å; I232-M311 HydrophobicContact CG2-CG 3.97Å; Y237-M311 HydrophobicContact CD2-SD 4.41Å; F240-M311 HydrophobicContact CB-CE 4.06Å; F240-M311 HydrophobicContact CD1-CE 3.64Å; F240-M311 HydrophobicContact CD1-SD 4.34Å; F240-M311 HydrophobicContact CD2-CE 3.95Å; F240-M311 HydrophobicContact CE1-CE 4.04Å; F240-M311 HydrophobicContact CE2-CE 4.31Å; F240-M311 HydrophobicContact CG-CE 3.59Å; F240-M311 HydrophobicContact CZ-CE 4.34Å; E308-M311 WeakPolarHBondContact O-CB 3.4Å; E308-M311 PolarHBondContact O-N 3.11Å; M311-L315 HydrophobicContact CE-CD1 4.1Å; M311-L315 HydrophobicContact CE-CD2 3.91Å; M311-L315 HydrophobicContact CE-CG 3.96Å; M311-L315 HydrophobicContact CG-CD1 4.25Å; M311-L315 HydrophobicContact CG-CG 4.44Å; M311-L315 VanDerWaalsContact O-CB 3.32Å; M311-L315 WeakPolarHBondContact O-CB 3.27Å; M311-L315 WeakPolarHBondContact O-CG 3.46Å; M311-L315 PolarHBondContact O-N 3.21Å
312D82.8Confident85.1Confident50 Ų5049.7 Ų49.727%0.26726%0.263SS..Hα-helixtrans-68-46.2175.756-20.9000112.6I232 K309 L310 Q314 L315 S316I232-D312 HydrophobicContact CD1-CB 3.54Å; K309-D312 VanDerWaalsContact O-OD1 3.13Å; L310-D312 VanDerWaalsContact C-N 3.25Å; L310-D312 PolarHBondContact O-N 3.25Å; D312-Q314 VanDerWaalsContact C-N 3.32Å; D312-Q314 PolarHBondContact O-N 3.24Å; D312-L315 PolarHBondContact O-N 3.4Å; D312-S316 WeakPolarHBondContact O-CB 3.25Å; D312-S316 PolarHBondContact O-N 3.4Å; D312-S316 PolarHBondContact O-OG 3.18Å
313L84.1Confident85.9Confident112 Ų11251.1 Ų51.159%0.58626%0.258SS*.Hα-helixtrans-61.4-43173.6-79.385.6000110.8L310 S316 D317L310-L313 PolarHBondContact O-N 3.47Å; L313-S316 WeakPolarHBondContact O-CB 3.43Å; L313-S316 PolarHBondContact O-N 3.25Å; L313-D317 PolarHBondContact O-N 3.01Å; L313-D317 VanDerWaalsContact O-N 3.15Å
314Q85.2Confident86.4Confident19 Ų1944.9 Ų44.99%0.08923%0.231CC..Hα-helixtrans-66.6-43178.9-74.3-177.3-22.400112.8L305 L310 D312 S316 D317 F320L305-Q314 PolarHBondContact O-NE2 3.33Å; L305-Q314 PolarHBondContact O-OE1 3.11Å; L310-Q314 WeakPolarHBondContact O-CB 3.33Å; L310-Q314 WeakPolarHBondContact O-CG 3.42Å; L310-Q314 PolarHBondContact O-N 3.5Å; D312-Q314 VanDerWaalsContact C-N 3.32Å; D312-Q314 PolarHBondContact O-N 3.24Å; Q314-S316 PolarHBondContact O-N 2.84Å; Q314-D317 PolarHBondContact O-N 3.37Å; Q314-F320 HydrophobicContact CB-CD1 3.91Å; Q314-F320 HydrophobicContact CB-CD2 4.36Å; Q314-F320 HydrophobicContact CB-CE1 3.94Å; Q314-F320 HydrophobicContact CB-CE2 4.4Å; Q314-F320 HydrophobicContact CB-CG 4.1Å; Q314-F320 HydrophobicContact CB-CZ 4.18Å; Q314-F320 WeakPolarHBondContact O-CB 3.46Å; Q314-F320 WeakPolarHBondContact O-CD1 3.42Å
315L84.5Confident86.8Confident3 Ų342.1 Ų42.12%0.01622%0.218CC..Hα-helixtrans-63.6-26174.8-73.7176.5000111.9I230 I232 F273 M311 D312 R321I230-L315 HydrophobicContact CD1-CB 4.17Å; I230-L315 HydrophobicContact CD1-CD1 4.19Å; I232-L315 HydrophobicContact CD1-CD1 4.02Å; I232-L315 HydrophobicContact CG1-CD1 4.5Å; F273-L315 HydrophobicContact CD1-CD2 4.35Å; F273-L315 HydrophobicContact CE1-CD2 3.59Å; M311-L315 HydrophobicContact CE-CD1 4.1Å; M311-L315 HydrophobicContact CE-CD2 3.91Å; M311-L315 HydrophobicContact CE-CG 3.96Å; M311-L315 HydrophobicContact CG-CD1 4.25Å; M311-L315 HydrophobicContact CG-CG 4.44Å; M311-L315 VanDerWaalsContact O-CB 3.32Å; M311-L315 WeakPolarHBondContact O-CB 3.27Å; M311-L315 WeakPolarHBondContact O-CG 3.46Å; M311-L315 PolarHBondContact O-N 3.21Å; D312-L315 PolarHBondContact O-N 3.4Å; L315-R321 PolarHBondContact O-NE 2.98Å; L315-R321 PolarHBondContact O-NH2 2.88Å
316S84.6Confident87.3Confident37 Ų3741.8 Ų41.826%0.25922%0.217SC..Hα-helixtrans-82-14.2175.1-55.60000113.1L278 D312 L313 Q314L278-S316 VanDerWaalsContact CD2-O 3.27Å; L278-S316 WeakPolarHBondContact CD2-O 3.42Å; D312-S316 WeakPolarHBondContact O-CB 3.25Å; D312-S316 PolarHBondContact O-N 3.4Å; D312-S316 PolarHBondContact O-OG 3.18Å; L313-S316 WeakPolarHBondContact O-CB 3.43Å; L313-S316 PolarHBondContact O-N 3.25Å; Q314-S316 PolarHBondContact O-N 2.84Å
317D86.1Confident87.7Confident58 Ų5842.1 Ų42.131%0.3122%0.216SC..  trans-81.7121.8177.9179.319.8000112.4L313 Q314 N319 F320 R321L313-D317 PolarHBondContact O-N 3.01Å; L313-D317 VanDerWaalsContact O-N 3.15Å; Q314-D317 PolarHBondContact O-N 3.37Å; D317-N319 VanDerWaalsContact C-N 3.31Å; D317-N319 PolarHBondContact O-N 3.31Å; D317-N319 PolarHBondContact OD1-N 3.49Å; D317-F320 HydrophobicContact CB-CB 3.97Å; D317-F320 PolarHBondContact O-N 3.06Å; D317-F320 PolarHBondContact OD2-N 3.19Å; D317-R321 PolarHBondContact O-N 2.79Å
318S87.1Confident88.2Confident4 Ų439.7 Ų39.73%0.02820%0.199CC..Hα-helixtrans-54.4-41.317262.40000113.7M281 R322 P371M281-S318 VanDerWaalsContact CE-OG 3.27Å; M281-S318 WeakPolarHBondContact CE-OG 3.37Å; S318-R322 WeakPolarHBondContact O-CG 3.25Å; S318-R322 PolarHBondContact O-N 3.01Å; S318-R322 VanDerWaalsContact O-N 3.11Å; S318-P371 VanDerWaalsContact CB-O 3.3Å; S318-P371 WeakPolarHBondContact CB-O 3.47Å
319N88Confident88.9Confident82 Ų8239.6 Ų39.644%0.43920%0.199SC..Hα-helixtrans-70.5-47.2-177.7-69.6-46.9000110D317 R321 R322 H323D317-N319 VanDerWaalsContact C-N 3.31Å; D317-N319 PolarHBondContact O-N 3.31Å; D317-N319 PolarHBondContact OD1-N 3.49Å; N319-R321 VanDerWaalsContact C-N 3.31Å; N319-R321 PolarHBondContact O-N 2.83Å; N319-R322 WeakPolarHBondContact O-CA 3.39Å; N319-R322 WeakPolarHBondContact O-CB 3.43Å; N319-R322 PolarHBondContact O-N 3.15Å; N319-H323 VanDerWaalsContact C-ND1 3.29Å; N319-H323 PolarHBondContact O-CE1 3.1Å; N319-H323 PolarHBondContact O-N 2.7Å; N319-H323 PolarHBondContact O-ND1 2.85Å
320F89.8Confident89.5Confident10 Ų1035.6 Ų35.64%0.04419%0.186CC..Hα-helixtrans-51.1-48.4175-175.4-105.6000112.5F240 W241 F304 Q314 D317 R322 H323 I324F240-F320 HydrophobicContact CE1-CE1 4.17Å; F240-F320 AromaticContact CE1-CZ 3.65Å; F240-F320 HydrophobicContact CE1-CZ 3.65Å; F240-F320 HydrophobicContact CE2-CE1 4.44Å; F240-F320 AromaticContact CZ-CE1 3.62Å; F240-F320 HydrophobicContact CZ-CE1 3.62Å; F240-F320 AromaticContact CZ-CZ 3.48Å; F240-F320 HydrophobicContact CZ-CZ 3.48Å; F240-F320 VanDerWaalsContact CZ-CZ 3.48Å; W241-F320 HydrophobicContact CH2-CE2 4.22Å; W241-F320 HydrophobicContact CH2-CZ 4.16Å; W241-F320 HydrophobicContact CZ2-CZ 4.5Å; F304-F320 HydrophobicContact CD1-CD2 4.31Å; F304-F320 AromaticContact CD1-CE2 3.97Å; F304-F320 HydrophobicContact CD1-CE2 3.97Å; F304-F320 HydrophobicContact CE1-CD2 4.36Å; F304-F320 HydrophobicContact CE1-CE2 4.23Å; Q314-F320 HydrophobicContact CB-CD1 3.91Å; Q314-F320 HydrophobicContact CB-CD2 4.36Å; Q314-F320 HydrophobicContact CB-CE1 3.94Å; Q314-F320 HydrophobicContact CB-CE2 4.4Å; Q314-F320 HydrophobicContact CB-CG 4.1Å; Q314-F320 HydrophobicContact CB-CZ 4.18Å; Q314-F320 WeakPolarHBondContact O-CB 3.46Å; Q314-F320 WeakPolarHBondContact O-CD1 3.42Å; D317-F320 HydrophobicContact CB-CB 3.97Å; D317-F320 PolarHBondContact O-N 3.06Å; D317-F320 PolarHBondContact OD2-N 3.19Å; F320-R322 PolarHBondContact O-N 3.05Å; F320-H323 WeakPolarHBondContact O-CB 3.47Å; F320-H323 PolarHBondContact O-N 3.34Å; F320-I324 HydrophobicContact CE1-CG1 4.35Å; F320-I324 HydrophobicContact CZ-CD1 4.45Å; F320-I324 HydrophobicContact CZ-CG1 4.4Å; F320-I324 WeakPolarHBondContact O-CG1 3.43Å; F320-I324 PolarHBondContact O-N 2.77Å
321R90.3Very high90Very high8 Ų833 Ų333%0.0317%0.172CC..Hα-helixtrans-60-42.9175.4-67.5-171.9-173.4-145.8-10.9113F273 F276 L315 D317 N319 H323 I324 L325 I370F273-R321 HydrophobicContact CD1-CG 4.42Å; F273-R321 HydrophobicContact CE1-CG 4.12Å; F273-R321 HydrophobicContact CZ-CG 4.41Å; F273-R321 PolarHBondContact O-NH1 2.9Å; F276-R321 PolarHBondContact O-NH1 3.25Å; L315-R321 PolarHBondContact O-NE 2.98Å; L315-R321 PolarHBondContact O-NH2 2.88Å; D317-R321 PolarHBondContact O-N 2.79Å; N319-R321 VanDerWaalsContact C-N 3.31Å; N319-R321 PolarHBondContact O-N 2.83Å; R321-H323 VanDerWaalsContact C-N 3.32Å; R321-H323 PolarHBondContact O-N 3.36Å; R321-I324 PolarHBondContact O-N 3.36Å; R321-L325 WeakPolarHBondContact O-CB 3.49Å; R321-L325 VanDerWaalsContact O-CG 3.3Å; R321-L325 WeakPolarHBondContact O-CG 3.38Å; R321-L325 PolarHBondContact O-N 2.98Å; R321-I370 HydrophobicContact CB-CD1 3.81Å
322R91.9Very high90.5Very high24 Ų2433.1 Ų33.19%0.09117%0.173CC..Hα-helixtrans-59.5-42.4176.1-73.5171.4179.2-172.7-5111.7S318 N319 F320 I324 L325 L326 L367 I370 P371 P372 F377S318-R322 WeakPolarHBondContact O-CG 3.25Å; S318-R322 PolarHBondContact O-N 3.01Å; S318-R322 VanDerWaalsContact O-N 3.11Å; N319-R322 WeakPolarHBondContact O-CA 3.39Å; N319-R322 WeakPolarHBondContact O-CB 3.43Å; N319-R322 PolarHBondContact O-N 3.15Å; F320-R322 PolarHBondContact O-N 3.05Å; R322-I324 PolarHBondContact O-N 2.68Å; R322-L325 PolarHBondContact O-N 3.29Å; R322-L326 WeakPolarHBondContact O-CB 3.49Å; R322-L326 PolarHBondContact O-N 3.35Å; R322-L367 HydrophobicContact CG-CD2 4.18Å; R322-I370 HydrophobicContact CG-CD1 4.46Å; R322-I370 HydrophobicContact CG-CG2 4.21Å; R322-I370 PolarHBondContact NH2-O 3.37Å; R322-P371 PolarHBondContact NH2-O 2.6Å; R322-P372 PolarHBondContact NH2-O 2.99Å; R322-F377 HydrophobicContact CB-CE1 4.15Å; R322-F377 HydrophobicContact CB-CZ 4.23Å; R322-F377 HydrophobicContact CG-CD1 4.39Å; R322-F377 HydrophobicContact CG-CE1 3.98Å; R322-F377 HydrophobicContact CG-CZ 4.37Å
323H92.9Very high90.9Very high100 Ų10032.5 Ų32.546%0.46317%0.168SC..Hα-helixtrans-59.3-46.9177.4-63.4113000111.7F304 N319 F320 R321 L326 Q327F304-H323 HydrophobicContact CE1-CB 4.29Å; F304-H323 HydrophobicContact CZ-CB 4.36Å; N319-H323 VanDerWaalsContact C-ND1 3.29Å; N319-H323 PolarHBondContact O-CE1 3.1Å; N319-H323 PolarHBondContact O-N 2.7Å; N319-H323 PolarHBondContact O-ND1 2.85Å; F320-H323 WeakPolarHBondContact O-CB 3.47Å; F320-H323 PolarHBondContact O-N 3.34Å; R321-H323 VanDerWaalsContact C-N 3.32Å; R321-H323 PolarHBondContact O-N 3.36Å; H323-L326 PolarHBondContact O-N 2.93Å; H323-Q327 WeakPolarHBondContact O-CG 3.32Å; H323-Q327 PolarHBondContact O-N 3.44Å
324I93.3Very high91.2Very high4 Ų429.6 Ų29.62%0.02115%0.15CC..Hα-helixtrans-67.3-46.8-179.4-57.8-61.1000111.5F240 F273 F304 F320 R321 R322 L326 Q327 Y328F240-I324 HydrophobicContact CE1-CD1 4.42Å; F240-I324 HydrophobicContact CE2-CD1 4.41Å; F240-I324 HydrophobicContact CE2-CG1 4.26Å; F240-I324 HydrophobicContact CE2-CG2 4.36Å; F240-I324 HydrophobicContact CZ-CD1 3.67Å; F240-I324 HydrophobicContact CZ-CG1 3.8Å; F273-I324 HydrophobicContact CE2-CB 4.28Å; F273-I324 HydrophobicContact CE2-CG2 3.94Å; F273-I324 HydrophobicContact CZ-CB 4.39Å; F273-I324 HydrophobicContact CZ-CG2 4.25Å; F304-I324 HydrophobicContact CZ-CD1 4.38Å; F320-I324 HydrophobicContact CE1-CG1 4.35Å; F320-I324 HydrophobicContact CZ-CD1 4.45Å; F320-I324 HydrophobicContact CZ-CG1 4.4Å; F320-I324 WeakPolarHBondContact O-CG1 3.43Å; F320-I324 PolarHBondContact O-N 2.77Å; R321-I324 PolarHBondContact O-N 3.36Å; R322-I324 PolarHBondContact O-N 2.68Å; I324-L326 VanDerWaalsContact C-N 3.29Å; I324-L326 PolarHBondContact O-N 3.37Å; I324-Q327 WeakPolarHBondContact O-CB 3.35Å; I324-Q327 PolarHBondContact O-N 2.97Å; I324-Q327 VanDerWaalsContact O-N 3.17Å; I324-Y328 HydrophobicContact CG2-CD2 4.18Å; I324-Y328 HydrophobicContact CG2-CE2 3.95Å; I324-Y328 WeakPolarHBondContact O-CD2 3.38Å; I324-Y328 PolarHBondContact O-N 3.38Å; I324-Y328 VanDerWaalsContact O-N 3.08Å
325L94.6Very high91.4Very high1 Ų128.9 Ų28.91%0.00515%0.147CC..Hα-helixtrans-63.1-36.9178.2-69.2176.2000111.9L270 F273 R321 R322 Y328 L329 V363 L366 L367 I370L270-L325 HydrophobicContact CD2-CD2 3.81Å; F273-L325 HydrophobicContact CD2-CD2 4.06Å; F273-L325 HydrophobicContact CD2-CG 4.49Å; F273-L325 HydrophobicContact CE2-CD2 4.37Å; R321-L325 WeakPolarHBondContact O-CB 3.49Å; R321-L325 VanDerWaalsContact O-CG 3.3Å; R321-L325 WeakPolarHBondContact O-CG 3.38Å; R321-L325 PolarHBondContact O-N 2.98Å; R322-L325 PolarHBondContact O-N 3.29Å; L325-Y328 WeakPolarHBondContact O-CB 3.45Å; L325-Y328 PolarHBondContact O-N 3.29Å; L325-L329 PolarHBondContact O-N 3.08Å; L325-V363 HydrophobicContact CB-CG1 3.97Å; L325-V363 HydrophobicContact CD2-CB 4.46Å; L325-V363 HydrophobicContact CD2-CG1 4.02Å; L325-V363 HydrophobicContact CD2-CG2 4.14Å; L325-L366 HydrophobicContact CD1-CB 3.89Å; L325-L366 HydrophobicContact CD2-CB 4.48Å; L325-L366 HydrophobicContact CD2-CD1 4.22Å; L325-L367 HydrophobicContact CB-CD1 4.45Å; L325-L367 HydrophobicContact CB-CD2 3.73Å; L325-L367 HydrophobicContact CB-CG 3.99Å; L325-L367 HydrophobicContact CD1-CD2 3.78Å; L325-L367 HydrophobicContact CD1-CG 3.95Å; L325-L367 HydrophobicContact CG-CD2 4.43Å; L325-I370 HydrophobicContact CD1-CD1 3.58Å
326L95.6Very high91.5Very high65 Ų6533.4 Ų33.434%0.3417%0.166SC..Hα-helixtrans-67.1-38.3174.2-171.7141.1000111.8R322 H323 I324 Y328 L329 V330 F377 V381R322-L326 WeakPolarHBondContact O-CB 3.49Å; R322-L326 PolarHBondContact O-N 3.35Å; H323-L326 PolarHBondContact O-N 2.93Å; I324-L326 VanDerWaalsContact C-N 3.29Å; I324-L326 PolarHBondContact O-N 3.37Å; L326-Y328 VanDerWaalsContact C-N 3.3Å; L326-Y328 PolarHBondContact O-N 3.42Å; L326-L329 PolarHBondContact O-N 3.34Å; L326-V330 HydrophobicContact CD2-CG2 3.98Å; L326-V330 WeakPolarHBondContact O-CG2 3.43Å; L326-V330 PolarHBondContact O-N 3.26Å; L326-F377 HydrophobicContact CD1-CZ 4.35Å; L326-V381 HydrophobicContact CD1-CG2 4.03Å
327Q95Very high91.4Very high43 Ų4332.5 Ų32.520%0.20116%0.163CC..Hα-helixtrans-60.3-38.6172.5-74.7177.910.600112.4F247 H323 I324 L331F247-Q327 HydrophobicContact CD1-CB 4Å; F247-Q327 HydrophobicContact CD2-CB 4.35Å; F247-Q327 VanDerWaalsContact CD2-OE1 3.26Å; F247-Q327 HydrophobicContact CE1-CB 4.14Å; F247-Q327 HydrophobicContact CE2-CB 4.48Å; F247-Q327 HydrophobicContact CG-CB 4.15Å; F247-Q327 HydrophobicContact CZ-CB 4.39Å; H323-Q327 WeakPolarHBondContact O-CG 3.32Å; H323-Q327 PolarHBondContact O-N 3.44Å; I324-Q327 WeakPolarHBondContact O-CB 3.35Å; I324-Q327 PolarHBondContact O-N 2.97Å; I324-Q327 VanDerWaalsContact O-N 3.17Å; Q327-L331 VanDerWaalsContact O-CB 3.25Å; Q327-L331 WeakPolarHBondContact O-CB 3.46Å; Q327-L331 PolarHBondContact O-N 3.21Å
328Y95.6Very high91.1Very high0 Ų037.7 Ų37.70%019%0.185CC..Hα-helixtrans-59.2-48.1171.8-85-74.1000112.2L243 F247 F262 S266 L270 I324 L325 L326 L331 F332L243-Y328 WeakPolarHBondContact CD1-OH 3.16Å; F247-Y328 AromaticContact CE1-CD1 3.97Å; F247-Y328 HydrophobicContact CE1-CD1 3.97Å; F247-Y328 HydrophobicContact CE1-CD2 4.42Å; F247-Y328 HydrophobicContact CE1-CE1 4.21Å; F247-Y328 HydrophobicContact CE1-CG 4.09Å; F247-Y328 HydrophobicContact CE2-CE2 4.42Å; F247-Y328 AromaticContact CZ-CD1 3.87Å; F247-Y328 HydrophobicContact CZ-CD1 3.87Å; F247-Y328 AromaticContact CZ-CD2 3.79Å; F247-Y328 HydrophobicContact CZ-CD2 3.79Å; F247-Y328 AromaticContact CZ-CE1 3.77Å; F247-Y328 HydrophobicContact CZ-CE1 3.77Å; F247-Y328 AromaticContact CZ-CE2 3.68Å; F247-Y328 HydrophobicContact CZ-CE2 3.68Å; F247-Y328 AromaticContact CZ-CG 3.88Å; F247-Y328 HydrophobicContact CZ-CG 3.88Å; F247-Y328 AromaticContact CZ-CZ 3.67Å; F262-Y328 HydrophobicContact CE2-CE1 4.22Å; F262-Y328 HydrophobicContact CZ-CD1 4.32Å; F262-Y328 AromaticContact CZ-CE1 3.85Å; F262-Y328 HydrophobicContact CZ-CE1 3.85Å; S266-Y328 WeakPolarHBondContact CA-OH 3.45Å; S266-Y328 VanDerWaalsContact CB-OH 3.28Å; S266-Y328 WeakPolarHBondContact CB-OH 3.44Å; S266-Y328 WeakPolarHBondContact OG-CE1 3.43Å; S266-Y328 PolarHBondContact OG-OH 2.89Å; L270-Y328 HydrophobicContact CD2-CE2 4.28Å; I324-Y328 HydrophobicContact CG2-CD2 4.18Å; I324-Y328 HydrophobicContact CG2-CE2 3.95Å; I324-Y328 WeakPolarHBondContact O-CD2 3.38Å; I324-Y328 PolarHBondContact O-N 3.38Å; I324-Y328 VanDerWaalsContact O-N 3.08Å; L325-Y328 WeakPolarHBondContact O-CB 3.45Å; L325-Y328 PolarHBondContact O-N 3.29Å; L326-Y328 VanDerWaalsContact C-N 3.3Å; L326-Y328 PolarHBondContact O-N 3.42Å; Y328-L331 PolarHBondContact O-N 2.92Å; Y328-F332 HydrophobicContact CD1-CE1 4.15Å; Y328-F332 HydrophobicContact CD1-CE2 4.24Å; Y328-F332 AromaticContact CD1-CZ 3.68Å; Y328-F332 HydrophobicContact CD1-CZ 3.68Å; Y328-F332 HydrophobicContact CE1-CZ 4.44Å; Y328-F332 WeakPolarHBondContact O-CB 3.36Å; Y328-F332 WeakPolarHBondContact O-CD2 3.48Å; Y328-F332 WeakPolarHBondContact O-CG 3.41Å; Y328-F332 PolarHBondContact O-N 3.38Å
329L95.8Very high90.8Very high6 Ų638.5 Ų38.53%0.03119%0.19CC..Hα-helixtrans-63-45.5-179.7-65.6177.8000112.2L325 L326 L331 F332 Q333 T360 V363 Y364 L367 V381 L385L325-L329 PolarHBondContact O-N 3.08Å; L326-L329 PolarHBondContact O-N 3.34Å; L329-L331 PolarHBondContact O-N 3.42Å; L329-F332 PolarHBondContact O-N 3.24Å; L329-Q333 PolarHBondContact O-N 2.97Å; L329-T360 HydrophobicContact CD2-CG2 3.98Å; L329-V363 HydrophobicContact CD1-CG1 4.17Å; L329-V363 HydrophobicContact CD2-CB 4.23Å; L329-V363 HydrophobicContact CD2-CG1 3.71Å; L329-V363 HydrophobicContact CG-CG1 3.71Å; L329-Y364 HydrophobicContact CD1-CE1 4.02Å; L329-Y364 HydrophobicContact CD1-CE2 4.39Å; L329-Y364 HydrophobicContact CD2-CD2 4.11Å; L329-Y364 HydrophobicContact CD2-CE2 3.76Å; L329-L367 HydrophobicContact CD1-CD1 3.67Å; L329-V381 HydrophobicContact CD1-CG1 3.65Å; L329-L385 HydrophobicContact CB-CD1 3.91Å; L329-L385 HydrophobicContact CD1-CD1 4.22Å
330V95Very high90.3Very high56 Ų5641 Ų4134%0.33920%0.197SC..Hα-helixtrans-62.3-43.4177.2173.20000110.9L326 Q333 Y334 L385L326-V330 HydrophobicContact CD2-CG2 3.98Å; L326-V330 WeakPolarHBondContact O-CG2 3.43Å; L326-V330 PolarHBondContact O-N 3.26Å; V330-Q333 PolarHBondContact O-N 3.25Å; V330-Y334 PolarHBondContact O-N 2.99Å; V330-L385 HydrophobicContact CG2-CD2 4.19Å
331L94.4Very high89.5Confident9 Ų945.8 Ų45.85%0.04722%0.218CC..Hα-helixtrans-60.1-47.7175.417663.9000111.1F247 P250 F262 Q327 Y328 L329 Q333 Y334 L335F247-L331 HydrophobicContact CD1-CB 4.11Å; F247-L331 HydrophobicContact CD1-CD2 3.71Å; F247-L331 HydrophobicContact CD1-CG 4.45Å; F247-L331 HydrophobicContact CE1-CB 4.26Å; F247-L331 HydrophobicContact CE1-CD2 3.68Å; P250-L331 HydrophobicContact CB-CD1 3.46Å; P250-L331 VanDerWaalsContact CB-CD1 3.46Å; F262-L331 HydrophobicContact CE1-CD2 4.49Å; F262-L331 HydrophobicContact CE2-CD2 3.9Å; F262-L331 HydrophobicContact CZ-CD2 3.62Å; Q327-L331 VanDerWaalsContact O-CB 3.25Å; Q327-L331 WeakPolarHBondContact O-CB 3.46Å; Q327-L331 PolarHBondContact O-N 3.21Å; Y328-L331 PolarHBondContact O-N 2.92Å; L329-L331 PolarHBondContact O-N 3.42Å; L331-Q333 PolarHBondContact O-N 2.89Å; L331-Y334 PolarHBondContact O-N 3.12Å; L331-L335 HydrophobicContact CD1-CD1 4.07Å; L331-L335 HydrophobicContact CD1-CG 4.04Å; L331-L335 HydrophobicContact CG-CD1 3.98Å; L331-L335 HydrophobicContact CG-CG 4.33Å; L331-L335 WeakPolarHBondContact O-CB 3.47Å; L331-L335 VanDerWaalsContact O-CG 3.3Å; L331-L335 WeakPolarHBondContact O-CG 3.33Å; L331-L335 PolarHBondContact O-N 3.19Å
332F93.4Very high89Confident5 Ų547.6 Ų47.62%0.02223%0.226CC..Hα-helixtrans-64.7-39.4-178.7-64.9-19.8000112.5F262 Y328 L329 L335 K336 W355 M356 T359 T360F262-F332 HydrophobicContact CE1-CE1 4.35Å; F262-F332 HydrophobicContact CZ-CE1 4.33Å; Y328-F332 HydrophobicContact CD1-CE1 4.15Å; Y328-F332 HydrophobicContact CD1-CE2 4.24Å; Y328-F332 AromaticContact CD1-CZ 3.68Å; Y328-F332 HydrophobicContact CD1-CZ 3.68Å; Y328-F332 HydrophobicContact CE1-CZ 4.44Å; Y328-F332 WeakPolarHBondContact O-CB 3.36Å; Y328-F332 WeakPolarHBondContact O-CD2 3.48Å; Y328-F332 WeakPolarHBondContact O-CG 3.41Å; Y328-F332 PolarHBondContact O-N 3.38Å; L329-F332 PolarHBondContact O-N 3.24Å; F332-L335 PolarHBondContact O-N 3.5Å; F332-K336 PolarHBondContact O-N 2.94Å; F332-W355 HydrophobicContact CE1-CZ3 4.04Å; F332-W355 HydrophobicContact CZ-CH2 4.27Å; F332-W355 HydrophobicContact CZ-CZ3 4.04Å; F332-M356 HydrophobicContact CB-CE 3.79Å; F332-M356 HydrophobicContact CD1-CE 3.82Å; F332-M356 HydrophobicContact CD1-CG 4.28Å; F332-M356 HydrophobicContact CE1-CG 4.39Å; F332-M356 HydrophobicContact CG-CE 4.04Å; F332-M356 WeakPolarHBondContact O-CE 3.47Å; F332-T359 HydrophobicContact CE2-CG2 3.82Å; F332-T359 HydrophobicContact CZ-CG2 3.77Å; F332-T360 VanDerWaalsContact CD2-OG1 3.31Å; F332-T360 WeakPolarHBondContact CD2-OG1 3.43Å
333Q91.6Very high88.2Confident37 Ų3750 Ų5017%0.17325%0.247CC..Hα-helixtrans-62.8-43.7174.1-174.2175-0.400111.6L329 V330 L331 K336 G337 L385L329-Q333 PolarHBondContact O-N 2.97Å; V330-Q333 PolarHBondContact O-N 3.25Å; L331-Q333 PolarHBondContact O-N 2.89Å; Q333-K336 PolarHBondContact O-N 3.3Å; Q333-G337 WeakPolarHBondContact O-CA 3.25Å; Q333-G337 PolarHBondContact O-N 2.7Å; Q333-L385 PolarHBondContact NE2-O 2.99Å; Q333-L385 VanDerWaalsContact OE1-CB 3.29Å
334Y91.1Very high87.1Confident50 Ų5051 Ų5120%0.19627%0.265CS..Hα-helixtrans-62.7-43.2175.7171.6-98.3000112.7F181 P250 V330 L331 K336 G337 V339 K342F181-Y334 HydrophobicContact CE1-CE2 4.49Å; F181-Y334 HydrophobicContact CE2-CE1 4.48Å; F181-Y334 HydrophobicContact CZ-CD1 4.49Å; F181-Y334 HydrophobicContact CZ-CD2 4.32Å; F181-Y334 AromaticContact CZ-CE1 3.87Å; F181-Y334 HydrophobicContact CZ-CE1 3.87Å; F181-Y334 AromaticContact CZ-CE2 3.67Å; F181-Y334 HydrophobicContact CZ-CE2 3.67Å; F181-Y334 AromaticContact CZ-CZ 3.42Å; F181-Y334 VanDerWaalsContact CZ-CZ 3.42Å; F181-Y334 WeakPolarHBondContact CZ-OH 3.07Å; P250-Y334 HydrophobicContact CB-CD1 3.68Å; P250-Y334 HydrophobicContact CB-CE1 3.74Å; P250-Y334 HydrophobicContact CG-CD1 3.84Å; P250-Y334 HydrophobicContact CG-CE1 3.64Å; V330-Y334 PolarHBondContact O-N 2.99Å; L331-Y334 PolarHBondContact O-N 3.12Å; Y334-K336 VanDerWaalsContact C-N 3.35Å; Y334-K336 PolarHBondContact O-N 3.26Å; Y334-G337 PolarHBondContact O-N 2.85Å; Y334-V339 HydrophobicContact CD2-CG2 4.49Å; Y334-V339 HydrophobicContact CE2-CG2 4.19Å; Y334-K342 PolarHBondContact O-NZ 2.95Å
335L89Confident86.1Confident5 Ų555.3 Ų55.33%0.02630%0.295CS..Hα-helixtrans-64.3-40.1-178.2-74.6180000111.6C253 Y254 W259 L331 F332 K342 L348 M356C253-L335 HydrophobicContact CB-CD1 4.18Å; C253-L335 HydrophobicContact CB-CD2 4.03Å; Y254-L335 HydrophobicContact CE1-CD2 4.39Å; Y254-L335 HydrophobicContact CE2-CD2 3.71Å; Y254-L335 WeakPolarHBondContact OH-CA 3.35Å; Y254-L335 VanDerWaalsContact OH-CD2 3.29Å; Y254-L335 WeakPolarHBondContact OH-CD2 3.4Å; Y254-L335 PolarHBondContact OH-O 3.45Å; W259-L335 HydrophobicContact CZ3-CD1 4.12Å; L331-L335 HydrophobicContact CD1-CD1 4.07Å; L331-L335 HydrophobicContact CD1-CG 4.04Å; L331-L335 HydrophobicContact CG-CD1 3.98Å; L331-L335 HydrophobicContact CG-CG 4.33Å; L331-L335 WeakPolarHBondContact O-CB 3.47Å; L331-L335 VanDerWaalsContact O-CG 3.3Å; L331-L335 WeakPolarHBondContact O-CG 3.33Å; L331-L335 PolarHBondContact O-N 3.19Å; F332-L335 PolarHBondContact O-N 3.5Å; L335-K342 PolarHBondContact O-NZ 3.04Å; L335-K342 VanDerWaalsContact O-NZ 3.1Å; L335-L348 HydrophobicContact CB-CD1 4.19Å; L335-M356 HydrophobicContact CB-CE 3.72Å; L335-M356 HydrophobicContact CB-SD 4.44Å; L335-M356 HydrophobicContact CD1-CE 4.14Å; L335-M356 HydrophobicContact CD1-SD 4.36Å
336K86.1Confident85.3Confident97 Ų9756.1 Ų56.142%0.42230%0.301SS..Hα-helixtrans-75.4-32.2173.9-71.6-169.6172.7-160.40113.7F332 Q333 Y334 M356 E357F332-K336 PolarHBondContact O-N 2.94Å; Q333-K336 PolarHBondContact O-N 3.3Å; Y334-K336 VanDerWaalsContact C-N 3.35Å; Y334-K336 PolarHBondContact O-N 3.26Å; K336-M356 HydrophobicContact CG-CE 3.9Å; K336-E357 IonicContact NZ-OE1 2.67Å; K336-E357 PolarHBondContact NZ-OE1 2.86Å
337G84.1Confident84.7Confident19 Ų1959.1 Ų59.120%0.19632%0.316CS..SBendtrans-65.6143.4-174.900000113.5Q333 Y334 K342Q333-G337 WeakPolarHBondContact O-CA 3.25Å; Q333-G337 PolarHBondContact O-N 2.7Å; Y334-G337 PolarHBondContact O-N 2.85Å; G337-K342 PolarHBondContact O-NZ 3.42Å; G337-K342 VanDerWaalsContact O-NZ 3.14Å
338Q78.8Confident84.2Confident167 Ų16758.2 Ų58.278%0.7831%0.312SS*.  trans-85.7125167.2-64.8-169.6-5.300109.4N392 N396Q338-N392 PolarHBondContact O-ND2 3.47Å; Q338-N392 VanDerWaalsContact O-ND2 3.13Å; Q338-N396 PolarHBondContact O-ND2 3.48Å
339V80.9Confident83.8Confident21 Ų2163 Ų6313%0.12734%0.338CS..  trans-126.4128.9178.3179.50000107.8Y334 F341 K342Y334-V339 HydrophobicContact CD2-CG2 4.49Å; Y334-V339 HydrophobicContact CE2-CG2 4.19Å; V339-F341 PolarHBondContact O-N 3.18Å; V339-F341 VanDerWaalsContact O-N 3.08Å; V339-K342 HydrophobicContact CB-CB 4.22Å; V339-K342 WeakPolarHBondContact O-CB 3.47Å; V339-K342 PolarHBondContact O-N 3.28Å
340K76.5Confident83.5Confident133 Ų13369 Ų6958%0.57837%0.37SS*.THydrogen-bonded Turntrans-54-32-173.1-177.5173-173.5169.20115.1N396K340-N396 WeakPolarHBondContact CB-OD1 3.27Å; K340-N396 WeakPolarHBondContact CD-O 3.43Å; K340-N396 PolarHBondContact N-OD1 2.97Å; K340-N396 PolarHBondContact NZ-O 2.95Å
341F73.6Confident83.2Confident112 Ų11272.6 Ų72.649%0.49139%0.387SS..THydrogen-bonded Turntrans-100.68.9-177.8-62.6-80.7000113.7L177 V339L177-F341 WeakPolarHBondContact O-CD2 3.33Å; L177-F341 WeakPolarHBondContact O-CE2 3.47Å; V339-F341 PolarHBondContact O-N 3.18Å; V339-F341 VanDerWaalsContact O-N 3.08Å
342K79.3Confident83Confident45 Ų4573.4 Ų73.420%0.19639%0.391CS..SBendtrans-72.5136175.5-165.6171-177.9170.90109.7Y254 Y334 L335 G337 V339 C346Y254-K342 WeakPolarHBondContact OH-CE 3.49Å; Y254-K342 PolarHBondContact OH-NZ 2.94Å; Y334-K342 PolarHBondContact O-NZ 2.95Å; L335-K342 PolarHBondContact O-NZ 3.04Å; L335-K342 VanDerWaalsContact O-NZ 3.1Å; G337-K342 PolarHBondContact O-NZ 3.42Å; G337-K342 VanDerWaalsContact O-NZ 3.14Å; V339-K342 HydrophobicContact CB-CB 4.22Å; V339-K342 WeakPolarHBondContact O-CB 3.47Å; V339-K342 PolarHBondContact O-N 3.28Å; K342-C346 HydrophobicContact CD-CB 4.23Å; K342-C346 HydrophobicContact CG-CB 3.76Å
343S75.2Confident82.8Confident76 Ų7674.9 Ų74.953%0.53140%0.402SS..  trans-66.2143.8179.5-55.60000111.2S345 C346S343-S345 PolarHBondContact O-N 3.44Å; S343-C346 WeakPolarHBondContact O-CB 3.35Å; S343-C346 PolarHBondContact O-N 3.35Å
344S71.4Confident82.9Confident119 Ų11977.7 Ų77.783%0.83242%0.417SS*.THydrogen-bonded Turntrans-60.9-12.9179.7-43.40000114.4
345S71.2Confident83Confident95 Ų9577.2 Ų77.266%0.66442%0.415SS*.THydrogen-bonded Turntrans-81.7-11.6174.8510000114.2S343 I347S343-S345 PolarHBondContact O-N 3.44Å; S345-I347 VanDerWaalsContact C-N 3.3Å; S345-I347 PolarHBondContact O-N 3.27Å
346C78.9Confident83.2Confident18 Ų1877 Ų7712%0.12241%0.414CS..  trans-8764.6-175.7-62.40000111.6Y254 K342 S343Y254-C346 VanDerWaalsContact CD1-C 3.49Å; Y254-C346 VanDerWaalsContact CD1-CA 3.5Å; Y254-C346 HydrophobicContact CD1-CB 3.9Å; Y254-C346 HydrophobicContact CD2-CB 3.84Å; Y254-C346 HydrophobicContact CE1-CB 3.82Å; Y254-C346 WeakPolarHBondContact CE1-O 3.4Å; Y254-C346 HydrophobicContact CE2-CB 3.76Å; Y254-C346 HydrophobicContact CG-CB 3.93Å; K342-C346 HydrophobicContact CD-CB 4.23Å; K342-C346 HydrophobicContact CG-CB 3.76Å; S343-C346 WeakPolarHBondContact O-CB 3.35Å; S343-C346 PolarHBondContact O-N 3.35Å
347I82.6Confident83.6Confident128 Ų12876.3 Ų76.366%0.65641%0.412SS*.  trans-110.6139.4-180-56.9172.4000108.8S345S345-I347 VanDerWaalsContact C-N 3.3Å; S345-I347 PolarHBondContact O-N 3.27Å
348L84.3Confident84.1Confident24 Ų2481.7 Ų81.713%0.12643%0.432CS..  trans-97.6145.6174.3-62172.1000110.3Y254 L335 Q352 M356Y254-L348 HydrophobicContact CD1-CD2 4.06Å; Y254-L348 HydrophobicContact CE1-CD2 3.72Å; Y254-L348 HydrophobicContact CE1-CG 3.96Å; L335-L348 HydrophobicContact CB-CD1 4.19Å; L348-Q352 HydrophobicContact CB-CB 4.48Å; L348-M356 HydrophobicContact CD1-CE 4.45Å; L348-M356 HydrophobicContact CD1-SD 3.76Å
349N87.8Confident84.8Confident100 Ų10074.1 Ų74.154%0.53540%0.397SS..  trans-79.8158.6172-60.1-13.8000110.9D351 Q352 C353N349-D351 VanDerWaalsContact C-N 3.31Å; N349-D351 PolarHBondContact O-N 3.13Å; N349-Q352 HydrophobicContact CB-CG 4.17Å; N349-Q352 WeakPolarHBondContact O-CB 2.98Å; N349-Q352 PolarHBondContact O-N 2.92Å; N349-C353 PolarHBondContact O-N 3.23Å
350D89.2Confident85.5Confident134 Ų13474.6 Ų74.672%0.71740%0.4SS*.Hα-helixtrans-56.8-41.7179.7-63.4-26.2000112.7Q352 C353 L354D350-Q352 VanDerWaalsContact C-N 3.29Å; D350-Q352 PolarHBondContact O-N 3.12Å; D350-C353 WeakPolarHBondContact O-CB 3.4Å; D350-C353 PolarHBondContact O-N 3.3Å; D350-L354 WeakPolarHBondContact O-CG 3.41Å; D350-L354 PolarHBondContact O-N 3.22Å
351D88.9Confident86.4Confident130 Ų13075.3 Ų75.370%0.69540%0.403SS*.Hα-helixtrans-61.3-36.7176.1-64.5-24.5000112.5N349 W355N349-D351 VanDerWaalsContact C-N 3.31Å; N349-D351 PolarHBondContact O-N 3.13Å; D351-W355 PolarHBondContact O-N 3.32Å
352Q89Confident87.5Confident26 Ų2672.1 Ų72.112%0.12139%0.392CS..Hα-helixtrans-70.1-40.9177.8-59.4179-5500110.4W259 L348 N349 D350 W355 M356W259-Q352 VanDerWaalsContact CG-NE2 3.28Å; W259-Q352 HydrophobicContact CZ2-CB 3.81Å; W259-Q352 HydrophobicContact CZ2-CG 4.06Å; L348-Q352 HydrophobicContact CB-CB 4.48Å; N349-Q352 HydrophobicContact CB-CG 4.17Å; N349-Q352 WeakPolarHBondContact O-CB 2.98Å; N349-Q352 PolarHBondContact O-N 2.92Å; D350-Q352 VanDerWaalsContact C-N 3.29Å; D350-Q352 PolarHBondContact O-N 3.12Å; Q352-W355 PolarHBondContact O-N 3.15Å; Q352-M356 WeakPolarHBondContact O-CB 3.2Å; Q352-M356 VanDerWaalsContact O-CG 3.24Å; Q352-M356 WeakPolarHBondContact O-CG 3.46Å; Q352-M356 PolarHBondContact O-N 2.62Å
353C90Very high88.2Confident37 Ų3770 Ų7025%0.2538%0.382CS..Hα-helixtrans-61.7-44.2175.4-69.30000111.8N349 D350 M356 E357N349-C353 PolarHBondContact O-N 3.23Å; D350-C353 WeakPolarHBondContact O-CB 3.4Å; D350-C353 PolarHBondContact O-N 3.3Å; C353-M356 PolarHBondContact O-N 3.34Å; C353-E357 WeakPolarHBondContact O-CG 3.43Å; C353-E357 PolarHBondContact O-N 2.9Å
354L93.1Very high89.2Confident96 Ų9668.6 Ų68.650%0.50337%0.366SS..Hα-helixtrans-62.3-49.1176.9-72.4172000111.7D350 M356 E357 E358D350-L354 WeakPolarHBondContact O-CG 3.41Å; D350-L354 PolarHBondContact O-N 3.22Å; L354-M356 VanDerWaalsContact C-N 3.28Å; L354-M356 PolarHBondContact O-N 3.04Å; L354-E357 PolarHBondContact O-N 3.1Å; L354-E357 VanDerWaalsContact O-N 3.09Å; L354-E358 PolarHBondContact O-N 2.8Å
355W93.9Very high90.3Very high39 Ų3967.5 Ų67.515%0.14835%0.347CS..Hα-helixtrans-58.7-40.9176.7177.887.8000111.9W259 F262 L263 D267 F332 D351 Q352 E357 E358 T359W259-W355 HydrophobicContact CH2-CE3 4.15Å; W259-W355 HydrophobicContact CH2-CZ3 4.06Å; W259-W355 AromaticContact CZ2-CE3 3.92Å; W259-W355 HydrophobicContact CZ2-CE3 3.92Å; W259-W355 HydrophobicContact CZ2-CZ3 4.2Å; F262-W355 AromaticContact CE1-CH2 3.95Å; F262-W355 HydrophobicContact CE1-CH2 3.95Å; F262-W355 HydrophobicContact CE1-CZ3 4.02Å; L263-W355 HydrophobicContact CD2-CD2 3.21Å; L263-W355 HydrophobicContact CD2-CE3 3.42Å; L263-W355 VanDerWaalsContact CD2-CE3 3.42Å; L263-W355 HydrophobicContact CD2-CG 3.83Å; L263-W355 HydrophobicContact CD2-CH2 3.67Å; L263-W355 HydrophobicContact CD2-CZ2 3.45Å; L263-W355 VanDerWaalsContact CD2-CZ2 3.45Å; L263-W355 HydrophobicContact CD2-CZ3 3.65Å; D267-W355 PolarHBondContact OD1-NE1 3.47Å; F332-W355 HydrophobicContact CE1-CZ3 4.04Å; F332-W355 HydrophobicContact CZ-CH2 4.27Å; F332-W355 HydrophobicContact CZ-CZ3 4.04Å; D351-W355 PolarHBondContact O-N 3.32Å; Q352-W355 PolarHBondContact O-N 3.15Å; W355-E357 VanDerWaalsContact C-N 3.33Å; W355-E357 PolarHBondContact O-N 2.59Å; W355-E358 PolarHBondContact O-N 3Å; W355-T359 VanDerWaalsContact CE2-OG1 3.25Å; W355-T359 HydrophobicContact CH2-CG2 4.16Å; W355-T359 HydrophobicContact CZ2-CG2 4.21Å; W355-T359 WeakPolarHBondContact CZ2-OG1 3.33Å; W355-T359 VanDerWaalsContact O-CB 3.29Å; W355-T359 WeakPolarHBondContact O-CB 3.38Å; W355-T359 PolarHBondContact O-N 3.06Å; W355-T359 PolarHBondContact O-OG1 3.47Å
356M93.2Very high91.2Very high0 Ų063.4 Ų63.40%032%0.318CS..Hα-helixtrans-63.5-37.5176.5-74.5174.563.700112.3W259 F332 L335 K336 L348 Q352 C353 L354 T360W259-M356 HydrophobicContact CH2-CG 3.98Å; W259-M356 HydrophobicContact CH2-SD 4.01Å; W259-M356 HydrophobicContact CZ2-CG 4.49Å; F332-M356 HydrophobicContact CB-CE 3.79Å; F332-M356 HydrophobicContact CD1-CE 3.82Å; F332-M356 HydrophobicContact CD1-CG 4.28Å; F332-M356 HydrophobicContact CE1-CG 4.39Å; F332-M356 HydrophobicContact CG-CE 4.04Å; F332-M356 WeakPolarHBondContact O-CE 3.47Å; L335-M356 HydrophobicContact CB-CE 3.72Å; L335-M356 HydrophobicContact CB-SD 4.44Å; L335-M356 HydrophobicContact CD1-CE 4.14Å; L335-M356 HydrophobicContact CD1-SD 4.36Å; K336-M356 HydrophobicContact CG-CE 3.9Å; L348-M356 HydrophobicContact CD1-CE 4.45Å; L348-M356 HydrophobicContact CD1-SD 3.76Å; Q352-M356 WeakPolarHBondContact O-CB 3.2Å; Q352-M356 VanDerWaalsContact O-CG 3.24Å; Q352-M356 WeakPolarHBondContact O-CG 3.46Å; Q352-M356 PolarHBondContact O-N 2.62Å; C353-M356 PolarHBondContact O-N 3.34Å; L354-M356 VanDerWaalsContact C-N 3.28Å; L354-M356 PolarHBondContact O-N 3.04Å; M356-T360 VanDerWaalsContact O-CB 3.24Å; M356-T360 WeakPolarHBondContact O-CB 3.36Å; M356-T360 PolarHBondContact O-N 3.23Å; M356-T360 PolarHBondContact O-OG1 3.24Å
357E93.4Very high91.9Very high84 Ų8462.6 Ų62.639%0.39331%0.312SS..Hα-helixtrans-67.6-43.6177.2-74.6179.4-176.400112.7K336 C353 L354 W355 T360 K361K336-E357 IonicContact NZ-OE1 2.67Å; K336-E357 PolarHBondContact NZ-OE1 2.86Å; C353-E357 WeakPolarHBondContact O-CG 3.43Å; C353-E357 PolarHBondContact O-N 2.9Å; L354-E357 PolarHBondContact O-N 3.1Å; L354-E357 VanDerWaalsContact O-N 3.09Å; W355-E357 VanDerWaalsContact C-N 3.33Å; W355-E357 PolarHBondContact O-N 2.59Å; E357-T360 PolarHBondContact O-N 3.11Å; E357-K361 WeakPolarHBondContact O-CG 3.25Å; E357-K361 PolarHBondContact O-N 3.25Å; E357-K361 VanDerWaalsContact O-N 3.1Å
358E95.4Very high92.3Very high132 Ų13261.4 Ų61.462%0.61730%0.303SS*.Hα-helixtrans-62.5-45.5175-68.2-178.4169.800111L354 W355 T360 K361 L362L354-E358 PolarHBondContact O-N 2.8Å; W355-E358 PolarHBondContact O-N 3Å; E358-T360 PolarHBondContact O-N 3.09Å; E358-K361 WeakPolarHBondContact O-CB 3.4Å; E358-K361 PolarHBondContact O-N 3.4Å; E358-L362 PolarHBondContact O-N 2.87Å
359T94Very high92.6Very high7 Ų763.9 Ų63.94%0.04331%0.313CS..Hα-helixtrans-67-37.6178.7-52.70000111.7L270 F332 W355 K361 L362 V363L270-T359 HydrophobicContact CD1-CG2 3.5Å; L270-T359 VanDerWaalsContact CD1-CG2 3.5Å; F332-T359 HydrophobicContact CE2-CG2 3.82Å; F332-T359 HydrophobicContact CZ-CG2 3.77Å; W355-T359 VanDerWaalsContact CE2-OG1 3.25Å; W355-T359 HydrophobicContact CH2-CG2 4.16Å; W355-T359 HydrophobicContact CZ2-CG2 4.21Å; W355-T359 WeakPolarHBondContact CZ2-OG1 3.33Å; W355-T359 VanDerWaalsContact O-CB 3.29Å; W355-T359 WeakPolarHBondContact O-CB 3.38Å; W355-T359 PolarHBondContact O-N 3.06Å; W355-T359 PolarHBondContact O-OG1 3.47Å; T359-K361 VanDerWaalsContact C-N 3.35Å; T359-K361 PolarHBondContact O-N 3.39Å; T359-L362 WeakPolarHBondContact O-CB 3.45Å; T359-L362 PolarHBondContact O-N 3.1Å; T359-V363 HydrophobicContact CG2-CG2 4.41Å; T359-V363 VanDerWaalsContact O-CG2 3.29Å; T359-V363 WeakPolarHBondContact O-CG2 3.33Å; T359-V363 PolarHBondContact O-N 3.38Å
360T95.6Very high92.5Very high31 Ų3159.5 Ų59.519%0.1929%0.29CS..Hα-helixtrans-60.3-44.9174.4-61.50000111L329 F332 M356 E357 E358 L362 V363 Y364L329-T360 HydrophobicContact CD2-CG2 3.98Å; F332-T360 VanDerWaalsContact CD2-OG1 3.31Å; F332-T360 WeakPolarHBondContact CD2-OG1 3.43Å; M356-T360 VanDerWaalsContact O-CB 3.24Å; M356-T360 WeakPolarHBondContact O-CB 3.36Å; M356-T360 PolarHBondContact O-N 3.23Å; M356-T360 PolarHBondContact O-OG1 3.24Å; E357-T360 PolarHBondContact O-N 3.11Å; E358-T360 PolarHBondContact O-N 3.09Å; T360-L362 VanDerWaalsContact C-N 3.33Å; T360-L362 PolarHBondContact O-N 2.88Å; T360-V363 PolarHBondContact O-N 3Å; T360-Y364 HydrophobicContact CG2-CD2 3.81Å; T360-Y364 HydrophobicContact CG2-CE2 3.71Å; T360-Y364 VanDerWaalsContact O-CD2 3.29Å; T360-Y364 WeakPolarHBondContact O-CD2 3.45Å; T360-Y364 PolarHBondContact O-N 2.79Å
361K95.5Very high92.1Very high148 Ų14854.4 Ų54.464%0.64326%0.264SS*.Hα-helixtrans-61-42.7175.5-70.1168.8-175.21690111.5E357 E358 T359 Y364 Q365E357-K361 WeakPolarHBondContact O-CG 3.25Å; E357-K361 PolarHBondContact O-N 3.25Å; E357-K361 VanDerWaalsContact O-N 3.1Å; E358-K361 WeakPolarHBondContact O-CB 3.4Å; E358-K361 PolarHBondContact O-N 3.4Å; T359-K361 VanDerWaalsContact C-N 3.35Å; T359-K361 PolarHBondContact O-N 3.39Å; K361-Y364 PolarHBondContact O-N 3.13Å; K361-Q365 PolarHBondContact O-N 2.88Å
362L94.8Very high91.8Very high46 Ų4650.9 Ų50.924%0.24125%0.248CC..Hα-helixtrans-61.8-44.8176179.163.5000111.8L270 K274 E358 T359 T360 Q365 L366L270-L362 HydrophobicContact CB-CD2 4.33Å; L270-L362 HydrophobicContact CD1-CD2 4.37Å; K274-L362 HydrophobicContact CD-CD1 4.43Å; E358-L362 PolarHBondContact O-N 2.87Å; T359-L362 WeakPolarHBondContact O-CB 3.45Å; T359-L362 PolarHBondContact O-N 3.1Å; T360-L362 VanDerWaalsContact C-N 3.33Å; T360-L362 PolarHBondContact O-N 2.88Å; L362-Q365 WeakPolarHBondContact O-CB 3.38Å; L362-Q365 PolarHBondContact O-N 3.2Å; L362-L366 HydrophobicContact CD1-CG 4.44Å; L362-L366 HydrophobicContact CG-CD1 4.31Å; L362-L366 WeakPolarHBondContact O-CG 3.27Å; L362-L366 PolarHBondContact O-N 3.44Å
363V95.6Very high91.6Very high0 Ų054.1 Ų54.10%027%0.266CS..Hα-helixtrans-62-44.3178.6168.90000111.3L270 L325 L329 T359 T360 Q365 L366 L367L270-V363 HydrophobicContact CD2-CG2 4.24Å; L325-V363 HydrophobicContact CB-CG1 3.97Å; L325-V363 HydrophobicContact CD2-CB 4.46Å; L325-V363 HydrophobicContact CD2-CG1 4.02Å; L325-V363 HydrophobicContact CD2-CG2 4.14Å; L329-V363 HydrophobicContact CD1-CG1 4.17Å; L329-V363 HydrophobicContact CD2-CB 4.23Å; L329-V363 HydrophobicContact CD2-CG1 3.71Å; L329-V363 HydrophobicContact CG-CG1 3.71Å; T359-V363 HydrophobicContact CG2-CG2 4.41Å; T359-V363 VanDerWaalsContact O-CG2 3.29Å; T359-V363 WeakPolarHBondContact O-CG2 3.33Å; T359-V363 PolarHBondContact O-N 3.38Å; T360-V363 PolarHBondContact O-N 3Å; V363-Q365 VanDerWaalsContact C-N 3.33Å; V363-Q365 PolarHBondContact O-N 2.8Å; V363-L366 PolarHBondContact O-N 3.44Å; V363-L367 HydrophobicContact CG1-CD1 4.29Å; V363-L367 WeakPolarHBondContact O-CG 3.4Å; V363-L367 PolarHBondContact O-N 2.84Å
364Y95.2Very high91.4Very high47 Ų4752.7 Ų52.718%0.18426%0.258CS..Hα-helixtrans-63.2-38.2174.1-84.6-67.9000112.6L329 T360 K361 L367 K368 A378 E382 L385L329-Y364 HydrophobicContact CD1-CE1 4.02Å; L329-Y364 HydrophobicContact CD1-CE2 4.39Å; L329-Y364 HydrophobicContact CD2-CD2 4.11Å; L329-Y364 HydrophobicContact CD2-CE2 3.76Å; T360-Y364 HydrophobicContact CG2-CD2 3.81Å; T360-Y364 HydrophobicContact CG2-CE2 3.71Å; T360-Y364 VanDerWaalsContact O-CD2 3.29Å; T360-Y364 WeakPolarHBondContact O-CD2 3.45Å; T360-Y364 PolarHBondContact O-N 2.79Å; K361-Y364 PolarHBondContact O-N 3.13Å; Y364-L367 PolarHBondContact O-N 3.39Å; Y364-K368 VanDerWaalsContact O-CG 3.31Å; Y364-K368 WeakPolarHBondContact O-CG 3.42Å; Y364-K368 PolarHBondContact O-N 3.41Å; Y364-K368 VanDerWaalsContact O-N 3.1Å; Y364-A378 HydrophobicContact CD1-CB 4.42Å; Y364-E382 HydrophobicContact CE1-CB 4.28Å; Y364-L385 WeakPolarHBondContact OH-CD1 3.3Å
365Q93.9Very high91.3Very high96 Ų9653 Ų5345%0.44926%0.26SS..Hα-helixtrans-60.7-48.7173.6-177.9-176-12.300110.9K361 L362 V363 L367 K368 E369K361-Q365 PolarHBondContact O-N 2.88Å; L362-Q365 WeakPolarHBondContact O-CB 3.38Å; L362-Q365 PolarHBondContact O-N 3.2Å; V363-Q365 VanDerWaalsContact C-N 3.33Å; V363-Q365 PolarHBondContact O-N 2.8Å; Q365-L367 VanDerWaalsContact C-N 3.33Å; Q365-L367 PolarHBondContact O-N 3.3Å; Q365-K368 PolarHBondContact O-N 3.42Å; Q365-E369 WeakPolarHBondContact CG-OE1 3.41Å; Q365-E369 PolarHBondContact NE2-OE1 3.43Å; Q365-E369 WeakPolarHBondContact O-CG 3.43Å; Q365-E369 PolarHBondContact O-N 2.79Å; Q365-E369 VanDerWaalsContact O-N 3.09Å
366L91.9Very high91.2Very high9 Ų957.9 Ų57.95%0.04728%0.282CS..Hα-helixtrans-62.4-38.8178.8-68.2174.7000112.1L270 F273 K274 L325 L362 V363 K368 E369 I370L270-L366 HydrophobicContact CD2-CD1 4.11Å; F273-L366 HydrophobicContact CB-CD1 4.15Å; K274-L366 HydrophobicContact CB-CD2 4.23Å; L325-L366 HydrophobicContact CD1-CB 3.89Å; L325-L366 HydrophobicContact CD2-CB 4.48Å; L325-L366 HydrophobicContact CD2-CD1 4.22Å; L362-L366 HydrophobicContact CD1-CG 4.44Å; L362-L366 HydrophobicContact CG-CD1 4.31Å; L362-L366 WeakPolarHBondContact O-CG 3.27Å; L362-L366 PolarHBondContact O-N 3.44Å; V363-L366 PolarHBondContact O-N 3.44Å; L366-K368 VanDerWaalsContact C-N 3.35Å; L366-K368 PolarHBondContact O-N 2.86Å; L366-E369 PolarHBondContact O-N 3.44Å; L366-I370 WeakPolarHBondContact O-CD1 3.37Å; L366-I370 VanDerWaalsContact O-CG1 3.28Å; L366-I370 WeakPolarHBondContact O-CG1 3.29Å; L366-I370 PolarHBondContact O-N 2.68Å
367L92.6Very high91.2Very high0 Ų060 Ų600%029%0.291CS..Hα-helixtrans-62-40.7175.6-78.3174.5000112.7R322 L325 L329 V363 Y364 Q365 E369 I370 G374 F377 A378R322-L367 HydrophobicContact CG-CD2 4.18Å; L325-L367 HydrophobicContact CB-CD1 4.45Å; L325-L367 HydrophobicContact CB-CD2 3.73Å; L325-L367 HydrophobicContact CB-CG 3.99Å; L325-L367 HydrophobicContact CD1-CD2 3.78Å; L325-L367 HydrophobicContact CD1-CG 3.95Å; L325-L367 HydrophobicContact CG-CD2 4.43Å; L329-L367 HydrophobicContact CD1-CD1 3.67Å; V363-L367 HydrophobicContact CG1-CD1 4.29Å; V363-L367 WeakPolarHBondContact O-CG 3.4Å; V363-L367 PolarHBondContact O-N 2.84Å; Y364-L367 PolarHBondContact O-N 3.39Å; Q365-L367 VanDerWaalsContact C-N 3.33Å; Q365-L367 PolarHBondContact O-N 3.3Å; L367-E369 VanDerWaalsContact C-N 3.3Å; L367-E369 PolarHBondContact O-N 3.46Å; L367-I370 PolarHBondContact O-N 3.15Å; L367-G374 WeakPolarHBondContact O-CA 3.31Å; L367-F377 HydrophobicContact CD2-CD1 4.21Å; L367-F377 HydrophobicContact CD2-CE1 3.95Å; L367-A378 HydrophobicContact CB-CB 4.41Å
368K92Very high91.2Very high104 Ų10456.1 Ų56.145%0.45227%0.273SS..Hα-helixtrans-65.7-34.9176.2-69.7176.5-179.6-174.30112.2Y364 Q365 L366 I370 D375 A378Y364-K368 VanDerWaalsContact O-CG 3.31Å; Y364-K368 WeakPolarHBondContact O-CG 3.42Å; Y364-K368 PolarHBondContact O-N 3.41Å; Y364-K368 VanDerWaalsContact O-N 3.1Å; Q365-K368 PolarHBondContact O-N 3.42Å; L366-K368 VanDerWaalsContact C-N 3.35Å; L366-K368 PolarHBondContact O-N 2.86Å; K368-I370 VanDerWaalsContact C-N 3.27Å; K368-I370 PolarHBondContact O-N 2.78Å; K368-D375 WeakPolarHBondContact CD-OD1 3.24Å; K368-D375 WeakPolarHBondContact CG-OD1 3.42Å; K368-A378 HydrophobicContact CG-CB 3.71Å
369E89.3Confident91.2Very high76 Ų7654 Ų5436%0.35527%0.269SS..Hα-helixtrans-73.7-10.9177.7-68.9-177.5-15900113.7K277 Q365 L366 L367 P371K277-E369 IonicContact NZ-OE1 3.04Å; K277-E369 IonicContact NZ-OE2 2.78Å; K277-E369 PolarHBondContact NZ-OE2 3.05Å; Q365-E369 WeakPolarHBondContact CG-OE1 3.41Å; Q365-E369 PolarHBondContact NE2-OE1 3.43Å; Q365-E369 WeakPolarHBondContact O-CG 3.43Å; Q365-E369 PolarHBondContact O-N 2.79Å; Q365-E369 VanDerWaalsContact O-N 3.09Å; L366-E369 PolarHBondContact O-N 3.44Å; L367-E369 VanDerWaalsContact C-N 3.3Å; L367-E369 PolarHBondContact O-N 3.46Å; E369-P371 WeakPolarHBondContact O-CD 3.33Å
370I86.6Confident91.2Very high8 Ų859 Ų594%0.04129%0.294CS..SBendtrans-89.7114.8-178.4-67.8161.8000111.8L278 R321 R322 L325 L366 L367 K368 G374L278-I370 HydrophobicContact CD1-CG2 4.29Å; R321-I370 HydrophobicContact CB-CD1 3.81Å; R322-I370 HydrophobicContact CG-CD1 4.46Å; R322-I370 HydrophobicContact CG-CG2 4.21Å; R322-I370 PolarHBondContact NH2-O 3.37Å; L325-I370 HydrophobicContact CD1-CD1 3.58Å; L366-I370 WeakPolarHBondContact O-CD1 3.37Å; L366-I370 VanDerWaalsContact O-CG1 3.28Å; L366-I370 WeakPolarHBondContact O-CG1 3.29Å; L366-I370 PolarHBondContact O-N 2.68Å; L367-I370 PolarHBondContact O-N 3.15Å; K368-I370 VanDerWaalsContact C-N 3.27Å; K368-I370 PolarHBondContact O-N 2.78Å; I370-G374 VanDerWaalsContact O-CA 3.25Å; I370-G374 WeakPolarHBondContact O-CA 3.22Å; I370-G374 PolarHBondContact O-N 2.97Å
371P80.4Confident91.2Very high26 Ų2657.9 Ų57.917%0.16929%0.287CS..SBendtrans-68.8155.1169.9-1531.1000111.8D280 S318 R322 E369D280-P371 WeakPolarHBondContact OD1-CB 3.49Å; S318-P371 VanDerWaalsContact CB-O 3.3Å; S318-P371 WeakPolarHBondContact CB-O 3.47Å; R322-P371 PolarHBondContact NH2-O 2.6Å; E369-P371 WeakPolarHBondContact O-CD 3.33Å
372P82.8Confident91.1Very high56 Ų5655.6 Ų55.636%0.36428%0.279SS..SBendcis-87.8145.8-5.333.4-34000113R322 G374R322-P372 PolarHBondContact NH2-O 2.99Å; P372-G374 PolarHBondContact O-N 3.41Å
373D84.3Confident91.2Very high95 Ų9559.3 Ų59.351%0.50829%0.294SS..SBendtrans54.244.3175.8-71.5-61.2000114.3D375 K376 F377D373-D375 VanDerWaalsContact C-N 3.31Å; D373-D375 PolarHBondContact O-N 2.68Å; D373-K376 HydrophobicContact CB-CB 4.31Å; D373-K376 HydrophobicContact CB-CD 4.13Å; D373-K376 HydrophobicContact CB-CG 4.46Å; D373-K376 PolarHBondContact O-N 3.18Å; D373-K376 IonicContact OD1-NZ 3.05Å; D373-K376 PolarHBondContact OD1-NZ 3.19Å; D373-K376 IonicContact OD2-NZ 3.77Å; D373-F377 PolarHBondContact O-N 3.03Å
374G86.4Confident91.2Very high6 Ų662.4 Ų62.46%0.06231%0.313CS..Hα-helixtrans-54.3-41.1-177.300000114.2L367 I370 P372 F377 A378L367-G374 WeakPolarHBondContact O-CA 3.31Å; I370-G374 VanDerWaalsContact O-CA 3.25Å; I370-G374 WeakPolarHBondContact O-CA 3.22Å; I370-G374 PolarHBondContact O-N 2.97Å; P372-G374 PolarHBondContact O-N 3.41Å; G374-F377 PolarHBondContact O-N 3.27Å; G374-A378 WeakPolarHBondContact O-CB 3.47Å; G374-A378 PolarHBondContact O-N 2.99Å
375D89.9Confident91.1Very high102 Ų10260.9 Ų60.955%0.54531%0.308SS..Hα-helixtrans-61.4-46.3177.2-74-57.9000113K368 D373 F377 A378 T379K368-D375 WeakPolarHBondContact CD-OD1 3.24Å; K368-D375 WeakPolarHBondContact CG-OD1 3.42Å; D373-D375 VanDerWaalsContact C-N 3.31Å; D373-D375 PolarHBondContact O-N 2.68Å; D375-F377 VanDerWaalsContact C-N 3.32Å; D375-F377 PolarHBondContact O-N 3.19Å; D375-A378 PolarHBondContact O-N 3.45Å; D375-T379 PolarHBondContact O-N 2.89Å; D375-T379 PolarHBondContact O-OG1 2.93Å
376K92.4Very high91.1Very high142 Ų14260 Ų6062%0.61731%0.307SS*.Hα-helixtrans-64.2-41.6178.1-63.4179.2-171.9145.10110.8D373 T379 M380D373-K376 HydrophobicContact CB-CB 4.31Å; D373-K376 HydrophobicContact CB-CD 4.13Å; D373-K376 HydrophobicContact CB-CG 4.46Å; D373-K376 PolarHBondContact O-N 3.18Å; D373-K376 IonicContact OD1-NZ 3.05Å; D373-K376 PolarHBondContact OD1-NZ 3.19Å; D373-K376 IonicContact OD2-NZ 3.77Å; K376-T379 PolarHBondContact O-N 3.37Å; K376-M380 WeakPolarHBondContact O-CB 3.25Å; K376-M380 PolarHBondContact O-N 3.16Å
377F93.1Very high91.2Very high45 Ų4562.6 Ų62.620%0.19732%0.323CS..Hα-helixtrans-61.2-46.6176.7-175.4-98000111.1R322 L326 L367 D373 G374 D375 T379 M380 V381R322-F377 HydrophobicContact CB-CE1 4.15Å; R322-F377 HydrophobicContact CB-CZ 4.23Å; R322-F377 HydrophobicContact CG-CD1 4.39Å; R322-F377 HydrophobicContact CG-CE1 3.98Å; R322-F377 HydrophobicContact CG-CZ 4.37Å; L326-F377 HydrophobicContact CD1-CZ 4.35Å; L367-F377 HydrophobicContact CD2-CD1 4.21Å; L367-F377 HydrophobicContact CD2-CE1 3.95Å; D373-F377 PolarHBondContact O-N 3.03Å; G374-F377 PolarHBondContact O-N 3.27Å; D375-F377 VanDerWaalsContact C-N 3.32Å; D375-F377 PolarHBondContact O-N 3.19Å; F377-T379 PolarHBondContact O-N 3.38Å; F377-M380 HydrophobicContact CD2-CE 4.21Å; F377-M380 PolarHBondContact O-N 3.05Å; F377-V381 HydrophobicContact CD1-CG2 4.04Å; F377-V381 HydrophobicContact CE1-CG2 3.65Å; F377-V381 HydrophobicContact CE2-CG2 4.41Å; F377-V381 HydrophobicContact CZ-CG2 3.86Å; F377-V381 WeakPolarHBondContact O-CG2 3.4Å; F377-V381 PolarHBondContact O-N 3.29Å
378A93.4Very high91.2Very high2 Ų266.5 Ų66.52%0.01734%0.341CS..Hα-helixtrans-60.6-44.6178.100000112.5Y364 L367 K368 G374 D375 M380 V381 E382Y364-A378 HydrophobicContact CD1-CB 4.42Å; L367-A378 HydrophobicContact CB-CB 4.41Å; K368-A378 HydrophobicContact CG-CB 3.71Å; G374-A378 WeakPolarHBondContact O-CB 3.47Å; G374-A378 PolarHBondContact O-N 2.99Å; D375-A378 PolarHBondContact O-N 3.45Å; A378-M380 VanDerWaalsContact C-N 3.33Å; A378-M380 PolarHBondContact O-N 3.19Å; A378-V381 PolarHBondContact O-N 3.24Å; A378-E382 PolarHBondContact O-N 3.41Å
379T94.7Very high91.1Very high87 Ų8766.8 Ų66.853%0.53434%0.344SS..Hα-helixtrans-63.9-38175.7-58.20000112.2D375 K376 F377 E382 H383D375-T379 PolarHBondContact O-N 2.89Å; D375-T379 PolarHBondContact O-OG1 2.93Å; K376-T379 PolarHBondContact O-N 3.37Å; F377-T379 PolarHBondContact O-N 3.38Å; T379-E382 PolarHBondContact O-N 3.09Å; T379-H383 PolarHBondContact O-N 2.93Å
380M95Very high91.2Very high112 Ų11268.6 Ų68.655%0.55236%0.356SS*.Hα-helixtrans-66.6-42.1176.5-172.2170.467.700111.6K376 F377 A378 H383 V384K376-M380 WeakPolarHBondContact O-CB 3.25Å; K376-M380 PolarHBondContact O-N 3.16Å; F377-M380 HydrophobicContact CD2-CE 4.21Å; F377-M380 PolarHBondContact O-N 3.05Å; A378-M380 VanDerWaalsContact C-N 3.33Å; A378-M380 PolarHBondContact O-N 3.19Å; M380-H383 PolarHBondContact O-N 2.92Å; M380-V384 WeakPolarHBondContact O-CG2 3.33Å; M380-V384 PolarHBondContact O-N 3.49Å
381V95.3Very high91.3Very high8 Ų874.2 Ų74.25%0.04838%0.377CS..Hα-helixtrans-60.8-45.8174.9171.20000110.6L326 L329 F377 A378 H383 V384 L385L326-V381 HydrophobicContact CD1-CG2 4.03Å; L329-V381 HydrophobicContact CD1-CG1 3.65Å; F377-V381 HydrophobicContact CD1-CG2 4.04Å; F377-V381 HydrophobicContact CE1-CG2 3.65Å; F377-V381 HydrophobicContact CE2-CG2 4.41Å; F377-V381 HydrophobicContact CZ-CG2 3.86Å; F377-V381 WeakPolarHBondContact O-CG2 3.4Å; F377-V381 PolarHBondContact O-N 3.29Å; A378-V381 PolarHBondContact O-N 3.24Å; V381-H383 VanDerWaalsContact C-N 3.32Å; V381-H383 PolarHBondContact O-N 3.49Å; V381-V384 PolarHBondContact O-N 2.88Å; V381-L385 HydrophobicContact CG1-CD1 3.78Å; V381-L385 HydrophobicContact CG1-CG 4.21Å; V381-L385 VanDerWaalsContact O-CG 3.29Å; V381-L385 WeakPolarHBondContact O-CG 3.15Å; V381-L385 PolarHBondContact O-N 2.92Å
382E94.1Very high91.7Very high101 Ų10175 Ų7547%0.47238%0.38SS..Hα-helixtrans-57.9-43.8175.9-174.9176-162.600111.9Y364 A378 T379 L385 N386Y364-E382 HydrophobicContact CE1-CB 4.28Å; A378-E382 PolarHBondContact O-N 3.41Å; T379-E382 PolarHBondContact O-N 3.09Å; E382-L385 PolarHBondContact O-N 3.33Å; E382-N386 PolarHBondContact O-N 3.11Å; E382-N386 PolarHBondContact O-ND2 3.04Å; E382-N386 VanDerWaalsContact O-ND2 3.16Å
383H95.6Very high92.1Very high123 Ų12375.2 Ų75.257%0.56938%0.382SS*.Hα-helixtrans-61.9-44.7175-177.371000112.6T379 M380 V381 N386 T387T379-H383 PolarHBondContact O-N 2.93Å; M380-H383 PolarHBondContact O-N 2.92Å; V381-H383 VanDerWaalsContact C-N 3.32Å; V381-H383 PolarHBondContact O-N 3.49Å; H383-N386 WeakPolarHBondContact O-CB 3.49Å; H383-N386 PolarHBondContact O-N 3.29Å; H383-T387 WeakPolarHBondContact O-CG2 3.41Å; H383-T387 PolarHBondContact O-N 2.99Å
384V96.1Very high92.3Very high65 Ų6571.5 Ų71.539%0.39436%0.361SS..Hα-helixtrans-62.3-47.3178.6170.90000110.7M380 V381 N386 T387 E388M380-V384 WeakPolarHBondContact O-CG2 3.33Å; M380-V384 PolarHBondContact O-N 3.49Å; V381-V384 PolarHBondContact O-N 2.88Å; V384-N386 VanDerWaalsContact C-N 3.28Å; V384-N386 PolarHBondContact O-N 3.13Å; V384-T387 WeakPolarHBondContact CA-OG1 3.42Å; V384-T387 CarbonylContact O-C 3.56Å; V384-T387 WeakPolarHBondContact O-CA 3.36Å; V384-T387 PolarHBondContact O-N 3.35Å; V384-T387 PolarHBondContact O-OG1 3.14Å; V384-E388 PolarHBondContact O-N 2.92Å
385L93.9Very high92.3Very high15 Ų1573 Ų738%0.07937%0.366CS..Hα-helixtrans-61.1-38.2178.2-64172.1000111.3L329 V330 Q333 Y364 V381 E382 T387 E388 E389L329-L385 HydrophobicContact CB-CD1 3.91Å; L329-L385 HydrophobicContact CD1-CD1 4.22Å; V330-L385 HydrophobicContact CG2-CD2 4.19Å; Q333-L385 PolarHBondContact NE2-O 2.99Å; Q333-L385 VanDerWaalsContact OE1-CB 3.29Å; Y364-L385 WeakPolarHBondContact OH-CD1 3.3Å; V381-L385 HydrophobicContact CG1-CD1 3.78Å; V381-L385 HydrophobicContact CG1-CG 4.21Å; V381-L385 VanDerWaalsContact O-CG 3.29Å; V381-L385 WeakPolarHBondContact O-CG 3.15Å; V381-L385 PolarHBondContact O-N 2.92Å; E382-L385 PolarHBondContact O-N 3.33Å; L385-T387 VanDerWaalsContact C-N 3.34Å; L385-T387 PolarHBondContact O-N 2.92Å; L385-E388 WeakPolarHBondContact O-CB 3.48Å; L385-E388 PolarHBondContact O-N 2.99Å; L385-E389 PolarHBondContact O-N 3.04Å
386N93.6Very high92.2Very high79 Ų7970.2 Ų70.242%0.42235%0.351SS..Hα-helixtrans-62.6-38.4172.3-69.9-27.5000112.4E382 H383 V384 E388 E389E382-N386 PolarHBondContact O-N 3.11Å; E382-N386 PolarHBondContact O-ND2 3.04Å; E382-N386 VanDerWaalsContact O-ND2 3.16Å; H383-N386 WeakPolarHBondContact O-CB 3.49Å; H383-N386 PolarHBondContact O-N 3.29Å; V384-N386 VanDerWaalsContact C-N 3.28Å; V384-N386 PolarHBondContact O-N 3.13Å; N386-E388 VanDerWaalsContact C-N 3.33Å; N386-E389 PolarHBondContact O-N 3.44Å
387T93.6Very high91.9Very high63 Ų6369.8 Ų69.839%0.38735%0.351SS..Hα-helixtrans-69.6-30.2174.262.10000113H383 V384 L385 E389 N390 W391H383-T387 WeakPolarHBondContact O-CG2 3.41Å; H383-T387 PolarHBondContact O-N 2.99Å; V384-T387 WeakPolarHBondContact CA-OG1 3.42Å; V384-T387 CarbonylContact O-C 3.56Å; V384-T387 WeakPolarHBondContact O-CA 3.36Å; V384-T387 PolarHBondContact O-N 3.35Å; V384-T387 PolarHBondContact O-OG1 3.14Å; L385-T387 VanDerWaalsContact C-N 3.34Å; L385-T387 PolarHBondContact O-N 2.92Å; T387-E389 VanDerWaalsContact C-N 3.31Å; T387-E389 PolarHBondContact O-N 3.42Å; T387-N390 WeakPolarHBondContact O-CB 3.46Å; T387-N390 PolarHBondContact O-N 2.98Å; T387-W391 PolarHBondContact O-N 2.95Å; T387-W391 VanDerWaalsContact O-N 3.12Å
388E91.9Very high91.4Very high82 Ų8269.7 Ų69.738%0.38336%0.364SS..Hα-helixtrans-65.9-32.6173.7-70.8-173.2179.500112.3V384 L385 N386 N390 W391 N392V384-E388 PolarHBondContact O-N 2.92Å; L385-E388 WeakPolarHBondContact O-CB 3.48Å; L385-E388 PolarHBondContact O-N 2.99Å; N386-E388 VanDerWaalsContact C-N 3.33Å; E388-N390 VanDerWaalsContact C-N 3.32Å; E388-N390 PolarHBondContact O-N 3.5Å; E388-W391 WeakPolarHBondContact O-CB 3.5Å; E388-W391 PolarHBondContact O-N 3.06Å; E388-N392 WeakPolarHBondContact O-CB 3.31Å; E388-N392 PolarHBondContact O-N 2.69Å
389E90.3Very high91Very high110 Ų11070 Ų7051%0.51437%0.365SS..Hα-helixtrans-61.2-42.7173.3-62.5-169.8162.600111.6L385 N386 T387 W391 N392 S393L385-E389 PolarHBondContact O-N 3.04Å; N386-E389 PolarHBondContact O-N 3.44Å; T387-E389 VanDerWaalsContact C-N 3.31Å; T387-E389 PolarHBondContact O-N 3.42Å; E389-W391 VanDerWaalsContact C-N 3.33Å; E389-W391 PolarHBondContact O-N 3.18Å; E389-N392 PolarHBondContact O-N 2.99Å; E389-S393 PolarHBondContact O-N 3.46Å
390N90.9Very high90.5Very high114 Ų11468.7 Ų68.761%0.6136%0.359SS*.Hα-helixtrans-61.9-43.1175.4-62-37.5000111.1T387 E388 S393 W394T387-N390 WeakPolarHBondContact O-CB 3.46Å; T387-N390 PolarHBondContact O-N 2.98Å; E388-N390 VanDerWaalsContact C-N 3.32Å; E388-N390 PolarHBondContact O-N 3.5Å; N390-S393 PolarHBondContact O-N 3.38Å; N390-W394 PolarHBondContact O-N 3.05Å
391W89.5Confident89.8Confident126 Ų12666 Ų6648%0.47735%0.351SS..Hα-helixtrans-63.2-42176.7-174.3-101.9000112.1T387 E388 E389 W394 K395T387-W391 PolarHBondContact O-N 2.95Å; T387-W391 VanDerWaalsContact O-N 3.12Å; E388-W391 WeakPolarHBondContact O-CB 3.5Å; E388-W391 PolarHBondContact O-N 3.06Å; E389-W391 VanDerWaalsContact C-N 3.33Å; E389-W391 PolarHBondContact O-N 3.18Å; W391-W394 HydrophobicContact CD2-CE3 4.14Å; W391-W394 HydrophobicContact CD2-CZ3 4.41Å; W391-W394 AromaticContact CE3-CE3 3.99Å; W391-W394 HydrophobicContact CE3-CE3 3.99Å; W391-W394 HydrophobicContact CE3-CZ3 4.27Å; W391-W394 HydrophobicContact CH2-CE3 4.03Å; W391-W394 HydrophobicContact CH2-CH2 4.06Å; W391-W394 AromaticContact CH2-CZ3 3.44Å; W391-W394 HydrophobicContact CH2-CZ3 3.44Å; W391-W394 VanDerWaalsContact CH2-CZ3 3.44Å; W391-W394 HydrophobicContact CZ2-CE3 4.17Å; W391-W394 AromaticContact CZ2-CZ3 3.6Å; W391-W394 HydrophobicContact CZ2-CZ3 3.6Å; W391-W394 AromaticContact CZ3-CE3 3.94Å; W391-W394 HydrophobicContact CZ3-CE3 3.94Å; W391-W394 HydrophobicContact CZ3-CH2 4.45Å; W391-W394 AromaticContact CZ3-CZ3 3.8Å; W391-W394 HydrophobicContact CZ3-CZ3 3.8Å; W391-W394 PolarHBondContact O-N 3.27Å; W391-K395 WeakPolarHBondContact O-CB 3.45Å; W391-K395 PolarHBondContact O-N 2.97Å
392N89.4Confident88.9Confident42 Ų4272.2 Ų72.223%0.22538%0.377CS..Hα-helixtrans-63.3-42.3176.1-172.626.8000111.4Q338 E388 E389 K395 N396Q338-N392 PolarHBondContact O-ND2 3.47Å; Q338-N392 VanDerWaalsContact O-ND2 3.13Å; E388-N392 WeakPolarHBondContact O-CB 3.31Å; E388-N392 PolarHBondContact O-N 2.69Å; E389-N392 PolarHBondContact O-N 2.99Å; N392-K395 PolarHBondContact O-N 3.49Å; N392-N396 WeakPolarHBondContact O-CB 3.14Å; N392-N396 VanDerWaalsContact O-CG 3.28Å; N392-N396 PolarHBondContact O-N 2.82Å; N392-N396 PolarHBondContact O-ND2 2.66Å
393S89.6Confident87.9Confident60 Ų6071.9 Ų71.942%0.4238%0.382SS..Hα-helixtrans-60.2-50.5174.8-167.20000111.8E389 N390 K395 N396 E397E389-S393 PolarHBondContact O-N 3.46Å; N390-S393 PolarHBondContact O-N 3.38Å; S393-K395 VanDerWaalsContact C-N 3.25Å; S393-K395 PolarHBondContact O-N 3.19Å; S393-N396 WeakPolarHBondContact O-CB 3.31Å; S393-N396 PolarHBondContact O-N 2.7Å; S393-N396 VanDerWaalsContact O-N 3.11Å; S393-E397 WeakPolarHBondContact O-CG 3.48Å; S393-E397 PolarHBondContact O-N 3.34Å
394W89.1Confident86.4Confident17 Ų1775.4 Ų75.46%0.06440%0.396CS..Hα-helixtrans-57.6-39177174.577.3000112.4L175 N390 W391 E397 C399 P400 F402L175-W394 HydrophobicContact CD1-CH2 4.44Å; L175-W394 HydrophobicContact CD2-CH2 4.32Å; L175-W394 HydrophobicContact CD2-CZ3 4.32Å; N390-W394 PolarHBondContact O-N 3.05Å; W391-W394 HydrophobicContact CD2-CE3 4.14Å; W391-W394 HydrophobicContact CD2-CZ3 4.41Å; W391-W394 AromaticContact CE3-CE3 3.99Å; W391-W394 HydrophobicContact CE3-CE3 3.99Å; W391-W394 HydrophobicContact CE3-CZ3 4.27Å; W391-W394 HydrophobicContact CH2-CE3 4.03Å; W391-W394 HydrophobicContact CH2-CH2 4.06Å; W391-W394 AromaticContact CH2-CZ3 3.44Å; W391-W394 HydrophobicContact CH2-CZ3 3.44Å; W391-W394 VanDerWaalsContact CH2-CZ3 3.44Å; W391-W394 HydrophobicContact CZ2-CE3 4.17Å; W391-W394 AromaticContact CZ2-CZ3 3.6Å; W391-W394 HydrophobicContact CZ2-CZ3 3.6Å; W391-W394 AromaticContact CZ3-CE3 3.94Å; W391-W394 HydrophobicContact CZ3-CE3 3.94Å; W391-W394 HydrophobicContact CZ3-CH2 4.45Å; W391-W394 AromaticContact CZ3-CZ3 3.8Å; W391-W394 HydrophobicContact CZ3-CZ3 3.8Å; W391-W394 PolarHBondContact O-N 3.27Å; W394-E397 PolarHBondContact O-N 3.45Å; W394-C399 HydrophobicContact CD2-CB 4.42Å; W394-C399 HydrophobicContact CE3-CB 4.33Å; W394-C399 HydrophobicContact CH2-CB 3.48Å; W394-C399 VanDerWaalsContact CH2-CB 3.48Å; W394-C399 HydrophobicContact CZ2-CB 3.56Å; W394-C399 HydrophobicContact CZ3-CB 3.88Å; W394-C399 PolarHBondContact O-N 3.48Å; W394-P400 PolarHBondContact NE1-O 2.84Å; W394-F402 AromaticContact CD1-CZ 3.43Å; W394-F402 VanDerWaalsContact CD1-CZ 3.43Å; W394-F402 HydrophobicContact CD2-CE2 4.06Å; W394-F402 HydrophobicContact CD2-CZ 4.03Å; W394-F402 AromaticContact CE2-CE2 3.39Å; W394-F402 AromaticContact CE2-CZ 3.64Å; W394-F402 HydrophobicContact CG-CE2 4.42Å; W394-F402 AromaticContact CG-CZ 3.91Å; W394-F402 HydrophobicContact CG-CZ 3.91Å; W394-F402 HydrophobicContact CH2-CE2 4.42Å; W394-F402 HydrophobicContact CZ2-CD2 4.21Å; W394-F402 AromaticContact CZ2-CE2 3.61Å; W394-F402 HydrophobicContact CZ2-CE2 3.61Å; W394-F402 HydrophobicContact CZ2-CZ 4.33Å; W394-F402 AromaticContact NE1-CE1 3.91Å; W394-F402 AromaticContact NE1-CE2 3.39Å; W394-F402 AromaticContact NE1-CZ 3.23Å
395K87.6Confident84.6Confident38 Ų3878.5 Ų78.517%0.16541%0.41CS..Hα-helixtrans-67.3-41.8176.1-169.3-176.1-177-173.20112.4N176 S179 W391 N392 S393 E397 G398N176-K395 WeakPolarHBondContact O-CE 3.38Å; N176-K395 PolarHBondContact O-NZ 2.97Å; S179-K395 WeakPolarHBondContact OG-CE 3.38Å; S179-K395 PolarHBondContact OG-NZ 3.05Å; W391-K395 WeakPolarHBondContact O-CB 3.45Å; W391-K395 PolarHBondContact O-N 2.97Å; N392-K395 PolarHBondContact O-N 3.49Å; S393-K395 VanDerWaalsContact C-N 3.25Å; S393-K395 PolarHBondContact O-N 3.19Å; K395-E397 PolarHBondContact O-N 3.14Å; K395-G398 PolarHBondContact O-N 3.32Å
396N86.9Confident82.7Confident44 Ų4488.6 Ų88.624%0.23545%0.447CS..Hα-helixtrans-61.6-33.5176.1-75.1-27.9000112Q338 K340 N392 S393 G398Q338-N396 PolarHBondContact O-ND2 3.48Å; K340-N396 WeakPolarHBondContact CB-OD1 3.27Å; K340-N396 WeakPolarHBondContact CD-O 3.43Å; K340-N396 PolarHBondContact N-OD1 2.97Å; K340-N396 PolarHBondContact NZ-O 2.95Å; N392-N396 WeakPolarHBondContact O-CB 3.14Å; N392-N396 VanDerWaalsContact O-CG 3.28Å; N392-N396 PolarHBondContact O-N 2.82Å; N392-N396 PolarHBondContact O-ND2 2.66Å; S393-N396 WeakPolarHBondContact O-CB 3.31Å; S393-N396 PolarHBondContact O-N 2.7Å; S393-N396 VanDerWaalsContact O-N 3.11Å; N396-G398 PolarHBondContact O-N 2.98Å
397E87.2Confident80.6Confident132 Ų13290.5 Ų90.562%0.61746%0.464SS*.THydrogen-bonded Turntrans-69.7-7.8172.9-69173.4-167.100113.7S393 W394 K395S393-E397 WeakPolarHBondContact O-CG 3.48Å; S393-E397 PolarHBondContact O-N 3.34Å; W394-E397 PolarHBondContact O-N 3.45Å; K395-E397 PolarHBondContact O-N 3.14Å
398G82.3Confident78.7Confident44 Ų4493.5 Ų93.545%0.45448%0.482SS..THydrogen-bonded Turntrans92.423.4179.900000113.9K395 N396K395-G398 PolarHBondContact O-N 3.32Å; N396-G398 PolarHBondContact O-N 2.98Å
399C85.4Confident76.8Confident7 Ų795.1 Ų95.15%0.04749%0.493CS..  trans58.458.8173.9-540000113.2L175 W394L175-C399 HydrophobicContact CD1-CB 3.58Å; W394-C399 HydrophobicContact CD2-CB 4.42Å; W394-C399 HydrophobicContact CE3-CB 4.33Å; W394-C399 HydrophobicContact CH2-CB 3.48Å; W394-C399 VanDerWaalsContact CH2-CB 3.48Å; W394-C399 HydrophobicContact CZ2-CB 3.56Å; W394-C399 HydrophobicContact CZ3-CB 3.88Å; W394-C399 PolarHBondContact O-N 3.48Å
400P84.1Confident74.9Confident61 Ų6197.3 Ų97.340%0.39651%0.508SS..  trans-58.2143.1177.825.1-34.3000111.3W394 F402W394-P400 PolarHBondContact NE1-O 2.84Å; P400-F402 PolarHBondContact O-N 3.33Å
401S79.4Confident73.3Confident56 Ų5699 Ų9939%0.39251%0.51SS..  trans-62.3126.4177.8-1730000110.8V403S401-V403 PolarHBondContact O-N 3.27Å; S401-V403 WeakPolarHBondContact OG-CB 3.39Å; S401-V403 PolarHBondContact OG-N 2.89Å; S401-V403 PolarHBondContact OG-O 2.74Å
402F76.6Confident71.5Confident138 Ų13898 Ų9861%0.60552%0.52SS*.SBendtrans-72.2-19168.8-66.2-69.4000112.2W394 P400 K404W394-F402 AromaticContact CD1-CZ 3.43Å; W394-F402 VanDerWaalsContact CD1-CZ 3.43Å; W394-F402 HydrophobicContact CD2-CE2 4.06Å; W394-F402 HydrophobicContact CD2-CZ 4.03Å; W394-F402 AromaticContact CE2-CE2 3.39Å; W394-F402 AromaticContact CE2-CZ 3.64Å; W394-F402 HydrophobicContact CG-CE2 4.42Å; W394-F402 AromaticContact CG-CZ 3.91Å; W394-F402 HydrophobicContact CG-CZ 3.91Å; W394-F402 HydrophobicContact CH2-CE2 4.42Å; W394-F402 HydrophobicContact CZ2-CD2 4.21Å; W394-F402 AromaticContact CZ2-CE2 3.61Å; W394-F402 HydrophobicContact CZ2-CE2 3.61Å; W394-F402 HydrophobicContact CZ2-CZ 4.33Å; W394-F402 AromaticContact NE1-CE1 3.91Å; W394-F402 AromaticContact NE1-CE2 3.39Å; W394-F402 AromaticContact NE1-CZ 3.23Å; P400-F402 PolarHBondContact O-N 3.33Å; F402-K404 PolarHBondContact O-N 3.24Å; F402-K404 VanDerWaalsContact O-N 3.14Å
403V73.6Confident69.8Low94 Ų94106 Ų10657%0.5755%0.553SS**SBendtrans-75104.3172.9-174.70000107.3S401 D405S401-V403 PolarHBondContact O-N 3.27Å; S401-V403 WeakPolarHBondContact OG-CB 3.39Å; S401-V403 PolarHBondContact OG-N 2.89Å; S401-V403 PolarHBondContact OG-O 2.74Å; V403-D405 VanDerWaalsContact C-N 3.28Å; V403-D405 PolarHBondContact O-N 3.44Å
404K62.8Low68.2Low196 Ų196113.3 Ų113.385%0.85257%0.571SS**  trans-67.995163.7-69.2180-178.5176.20106.7F402 R406F402-K404 PolarHBondContact O-N 3.24Å; F402-K404 VanDerWaalsContact O-N 3.14Å; K404-R406 PolarHBondContact O-N 3.02Å
405D58.2Low66.4Low131 Ų131118.3 Ų118.370%0.70161%0.606SS**  trans-52.7120.2167.2-69.3-34.7000106.7V403 P407V403-D405 VanDerWaalsContact C-N 3.28Å; V403-D405 PolarHBondContact O-N 3.44Å; D405-P407 WeakPolarHBondContact O-CD 3.49Å
406R53.7Low64.6Low227 Ų227122.5 Ų122.586%0.85764%0.635SS**  trans-55122.2165.4-73.7-176.8-177.8-175.11.2104.1K404 V408K404-R406 PolarHBondContact O-N 3.02Å; R406-V408 PolarHBondContact O-N 3.27Å
407P50.2Low63.2Low119 Ų119131.9 Ų131.977%0.77367%0.667SS**  trans-54113.6-179.720.4-30.4000106.4D405 D409D405-P407 WeakPolarHBondContact O-CD 3.49Å; P407-D409 VanDerWaalsContact C-N 3.34Å; P407-D409 PolarHBondContact O-N 3.05Å
408V54.3Low61.5Low125 Ų125134.5 Ų134.576%0.75868%0.676SS**  trans-60.1111.1166.4-177.30000102.5R406 D410R406-V408 PolarHBondContact O-N 3.27Å; V408-D410 PolarHBondContact O-N 3.01Å
409D51.3Low60.1Low117 Ų117143.9 Ų143.963%0.62670%0.698SS**  trans-65.985.7179.6-1550.8000105.7P407 K411P407-D409 VanDerWaalsContact C-N 3.34Å; P407-D409 PolarHBondContact O-N 3.05Å; D409-K411 PolarHBondContact O-N 2.83Å; D409-K411 WeakPolarHBondContact OD1-CD 3.48Å; D409-K411 IonicContact OD1-NZ 2.73Å
410D51Low58.5Low155 Ų155151.6 Ų151.683%0.82973%0.734SS**  trans-73.314.2-177.1-136.66.8000111.2V408V408-D410 PolarHBondContact O-N 3.01Å
411K56.8Low56.8Low149 Ų149151.5 Ų151.565%0.64874%0.737SS**SBendtrans-67.3126.3160.6-67.1175.5-169.7154.80105.4D409 K413D409-K411 PolarHBondContact O-N 2.83Å; D409-K411 WeakPolarHBondContact OD1-CD 3.48Å; D409-K411 IonicContact OD1-NZ 2.73Å; K411-K413 PolarHBondContact O-N 3.37Å
412P52.5Low55.6Low107 Ų107153.5 Ų153.570%0.69575%0.749SS**  trans-49.7126.316222.5-31000105.3R414P412-R414 PolarHBondContact O-N 2.82Å
413K53.6Low54.5Low210 Ų210153 Ų15391%0.91375%0.749SS**  trans-55.789.1167.7-83.7-179.1178.5174.30105.1K411K411-K413 PolarHBondContact O-N 3.37Å
414R56.3Low53.6Low213 Ų213153.3 Ų153.380%0.80475%0.747SS**  trans-50.3129.3164.8-78.1-176.6175.4-176.8-1.2102.6P412 T416P412-R414 PolarHBondContact O-N 2.82Å; R414-T416 PolarHBondContact O-N 3.04Å
415P50.8Low53.1Low122 Ų122149.6 Ų149.679%0.79273%0.731SS**  trans-48.9116.1173.620.9-30.9000104.7R417P415-R417 PolarHBondContact O-N 3.15Å
416T49Very low53.1Low126 Ų126149 Ų14977%0.77373%0.727SS**  trans-58.299.1-177.936.30000104.7R414 K418R414-T416 PolarHBondContact O-N 3.04Å; T416-K418 PolarHBondContact O-N 3.2Å
417R58.8Low53.3Low241 Ų241138.6 Ų138.691%0.90969%0.691SS**  trans-59.896.1156.2-95.1-175.3168.1177.9-3.3102P415 R419P415-R417 PolarHBondContact O-N 3.15Å; R417-R419 VanDerWaalsContact C-N 3.32Å; R417-R419 PolarHBondContact O-N 3.06Å
418K51Low53.6Low187 Ų187140.2 Ų140.281%0.81369%0.686SS**  trans-45.2109.8166-71.6-177.6177.7-178.50103.6T416 Q420T416-K418 PolarHBondContact O-N 3.2Å; K418-Q420 PolarHBondContact O-N 3.27Å
419R52Low53.9Low240 Ų240135 Ų13591%0.90666%0.658SS**PPolyproline II helixtrans-52.2118.2160.8-79.7-179.5174.2173.7-2.6102.7R417 A421R417-R419 VanDerWaalsContact C-N 3.32Å; R417-R419 PolarHBondContact O-N 3.06Å; R419-A421 PolarHBondContact O-N 3.49Å
420Q52.4Low54.2Low170 Ų170136.3 Ų136.379%0.79467%0.672SS**PPolyproline II helixtrans-50.9122.7169.7-84.4174.5-5.800104.9K418K418-Q420 PolarHBondContact O-N 3.27Å
421A48.3Very low54.6Low58 Ų58134 Ų13448%0.47966%0.66SS.*PPolyproline II helixtrans-49.8140173.500000107R419 E423R419-A421 PolarHBondContact O-N 3.49Å; A421-E423 PolarHBondContact O-N 3.04Å
422P53.7Low54.9Low98 Ų98134.9 Ų134.964%0.63666%0.659SS**  trans-45.8123175.5-23.931.9000108.3D424 F425P422-D424 PolarHBondContact O-N 3.45Å; P422-F425 PolarHBondContact O-N 2.96Å
423E53.9Low55.5Low129 Ų129134.4 Ų134.460%0.60365%0.646SS**G310 helixtrans-57.2-19.7-172.5-71.8-166.5141.500112.5A421 F425 K428A421-E423 PolarHBondContact O-N 3.04Å; E423-F425 PolarHBondContact O-N 3.03Å; E423-K428 HydrophobicContact CB-CB 4.41Å; E423-K428 WeakPolarHBondContact O-CB 3.32Å; E423-K428 PolarHBondContact O-N 3.5Å; E423-K428 VanDerWaalsContact O-N 3.16Å
424D54Low56.2Low100 Ų100125.8 Ų125.854%0.53561%0.611SS.*G310 helixtrans-71.5-20.7175.2-68-28.5000114.7P422 L426P422-D424 PolarHBondContact O-N 3.45Å; D424-L426 VanDerWaalsContact C-N 3.29Å; D424-L426 PolarHBondContact O-N 3.03Å
425F54Low56.9Low118 Ų118120.8 Ų120.852%0.51860%0.596SS.*G310 helixtrans-76.2-18.9-177.2-158.2-97.5000113.1P422 E423 M436P422-F425 PolarHBondContact O-N 2.96Å; E423-F425 PolarHBondContact O-N 3.03Å; F425-M436 HydrophobicContact CZ-SD 4.25Å
426L57Low57.7Low117 Ų117117.7 Ų117.761%0.61357%0.571SS**G310 helixtrans-116.519.8-178.6-68.4172.1000112.5D424 K428D424-L426 VanDerWaalsContact C-N 3.29Å; D424-L426 PolarHBondContact O-N 3.03Å; L426-K428 HydrophobicContact CB-CG 4.42Å; L426-K428 PolarHBondContact O-N 2.76Å
427G58.3Low58.9Low10 Ų10116 Ų11610%0.10358%0.579CS.*THydrogen-bonded Turntrans61.131.3179.200000113.2R432G427-R432 WeakPolarHBondContact O-CA 3.28Å
428K56.8Low59.9Low153 Ų153108.8 Ų108.867%0.66556%0.558SS**  trans-91.60.8176.1-63.3-167.1177.6-171.80113.5E423 L426E423-K428 HydrophobicContact CB-CB 4.41Å; E423-K428 WeakPolarHBondContact O-CB 3.32Å; E423-K428 PolarHBondContact O-N 3.5Å; E423-K428 VanDerWaalsContact O-N 3.16Å; L426-K428 HydrophobicContact CB-CG 4.42Å; L426-K428 PolarHBondContact O-N 2.76Å
429G60Low61.2Low15 Ų15106.6 Ų106.616%0.15556%0.555CS.*SBendtrans-73.8168.8168.200000112.7D431 R432G429-D431 PolarHBondContact O-N 2.76Å; G429-R432 PolarHBondContact O-N 3.32Å
430P56.8Low62.5Low144 Ų144100.2 Ų100.294%0.93554%0.536SS*.THydrogen-bonded Turntrans-58.2-22.9-175.921-31.6000114.2
431D59.7Low63.7Low107 Ų10796.1 Ų96.157%0.57252%0.519SS*.THydrogen-bonded Turntrans-95.6-1.6-177.6-125.531.4000114.1G429 K433G429-D431 PolarHBondContact O-N 2.76Å; D431-K433 HydrophobicContact CB-CD 4.45Å; D431-K433 WeakPolarHBondContact O-CG 3.34Å; D431-K433 PolarHBondContact O-N 3.2Å; D431-K433 WeakPolarHBondContact OD2-CE 3.33Å; D431-K433 IonicContact OD2-NZ 3.12Å; D431-K433 PolarHBondContact OD2-NZ 3.43Å
432R63.4Low65.2Low168 Ų16894.3 Ų94.363%0.63450%0.502SS*.  trans40.630.7-177.8-62.9-167.9-176.6179.41.8116.4G427 G429 H449G427-R432 WeakPolarHBondContact O-CA 3.28Å; G429-R432 PolarHBondContact O-N 3.32Å; R432-H449 WeakPolarHBondContact CD-NE2 3.47Å
433K65.2Low66.5Low96 Ų9697.2 Ų97.242%0.41750%0.5SS..  trans-93.4131.9176.9-75.3163.3-170.9161.80110D431 F435 N446D431-K433 HydrophobicContact CB-CD 4.45Å; D431-K433 WeakPolarHBondContact O-CG 3.34Å; D431-K433 PolarHBondContact O-N 3.2Å; D431-K433 WeakPolarHBondContact OD2-CE 3.33Å; D431-K433 IonicContact OD2-NZ 3.12Å; D431-K433 PolarHBondContact OD2-NZ 3.43Å; K433-F435 HydrophobicContact CB-CE2 4.08Å; K433-F435 HydrophobicContact CB-CZ 4.22Å; K433-F435 WeakPolarHBondContact O-CD2 3.4Å; K433-N446 WeakPolarHBondContact CA-OD1 3.46Å
434V69.4Low67.5Low29 Ų2995.5 Ų95.518%0.17650%0.495CS..  trans-85.1111.1171.3-177.80000108M436 W445 N446V434-M436 HydrophobicContact CG1-CE 3.84Å; V434-M436 HydrophobicContact CG1-SD 4.26Å; V434-W445 HydrophobicContact CG1-CG 4.37Å; V434-N446 PolarHBondContact N-ND2 3.38Å; V434-N446 PolarHBondContact N-OD1 3.47Å; V434-N446 PolarHBondContact O-ND2 2.77Å
435F71.1Confident68.5Low109 Ų10998.3 Ų98.348%0.47850%0.498SS..  trans-86.2115.7178.8-70.2-83.4000110.3K433 T442K433-F435 HydrophobicContact CB-CE2 4.08Å; K433-F435 HydrophobicContact CB-CZ 4.22Å; K433-F435 WeakPolarHBondContact O-CD2 3.4Å; F435-T442 HydrophobicContact CD1-CG2 4.09Å
436M66.6Low69.6Low57 Ų5795.1 Ų95.128%0.28149%0.487SS..  trans-114.644.6-173.7-140.464.4109.100111.7F425 V434 N438 L441 T442 W445F425-M436 HydrophobicContact CZ-SD 4.25Å; V434-M436 HydrophobicContact CG1-CE 3.84Å; V434-M436 HydrophobicContact CG1-SD 4.26Å; M436-N438 PolarHBondContact O-N 3.04Å; M436-L441 HydrophobicContact CB-CB 3.96Å; M436-L441 HydrophobicContact CG-CB 4.39Å; M436-T442 PolarHBondContact N-OG1 2.92Å; M436-W445 HydrophobicContact CE-CD2 3.93Å; M436-W445 HydrophobicContact CE-CG 3.92Å; M436-W445 HydrophobicContact CE-CZ2 4.4Å
437G73.6Confident70.4Confident91 Ų9194.9 Ų94.994%0.93849%0.485SS*.SBendtrans64.1-34.6170.400000117.5
438N80.5Confident70.8Confident88 Ų8898.5 Ų98.547%0.47150%0.502SS..SBendtrans-115.6140.9176.5-178.3-15.9000108.3M436 E440 L441 T442M436-N438 PolarHBondContact O-N 3.04Å; N438-E440 VanDerWaalsContact C-N 3.34Å; N438-E440 PolarHBondContact O-N 3.03Å; N438-E440 PolarHBondContact OD1-N 3.4Å; N438-L441 HydrophobicContact CB-CB 4.32Å; N438-L441 HydrophobicContact CB-CD1 4.17Å; N438-L441 HydrophobicContact CB-CG 4.4Å; N438-L441 PolarHBondContact O-N 3.25Å; N438-T442 WeakPolarHBondContact O-CB 3.47Å; N438-T442 PolarHBondContact O-N 3.11Å; N438-T442 PolarHBondContact O-OG1 3.45Å
439D79Confident71.2Confident141 Ų14197.9 Ų97.975%0.75450%0.502SS*.Hα-helixtrans-62.6-37.8-176.4-67.6-20.6000112.5T442 R443D439-T442 PolarHBondContact O-N 3.42Å; D439-R443 WeakPolarHBondContact O-CB 3.41Å; D439-R443 PolarHBondContact O-N 3.1Å
440E78.3Confident71.6Confident106 Ų106101.5 Ų101.550%0.49552%0.517SS..Hα-helixtrans-70.7-39.4177.9-74.7-60.9157.600112.4N438 T442 R443 L444N438-E440 VanDerWaalsContact C-N 3.34Å; N438-E440 PolarHBondContact O-N 3.03Å; N438-E440 PolarHBondContact OD1-N 3.4Å; E440-T442 VanDerWaalsContact C-N 3.35Å; E440-R443 WeakPolarHBondContact O-CB 3.34Å; E440-R443 PolarHBondContact O-N 3.28Å; E440-R443 IonicContact OE2-CZ 3.8Å; E440-R443 IonicContact OE2-NE 3.91Å; E440-R443 PolarHBondContact OE2-NE 3.49Å; E440-L444 WeakPolarHBondContact O-CG 3.49Å; E440-L444 PolarHBondContact O-N 3.31Å
441L77.1Confident72.1Confident84 Ų84101 Ų10144%0.4451%0.507SS..Hα-helixtrans-68.2-39.2175.2-73.7172.6000110.9M436 N438 R443 L444 W445M436-L441 HydrophobicContact CB-CB 3.96Å; M436-L441 HydrophobicContact CG-CB 4.39Å; N438-L441 HydrophobicContact CB-CB 4.32Å; N438-L441 HydrophobicContact CB-CD1 4.17Å; N438-L441 HydrophobicContact CB-CG 4.4Å; N438-L441 PolarHBondContact O-N 3.25Å; L441-R443 VanDerWaalsContact C-N 3.31Å; L441-R443 PolarHBondContact O-N 3.09Å; L441-L444 PolarHBondContact O-N 3.48Å; L441-W445 VanDerWaalsContact O-CB 3.31Å; L441-W445 WeakPolarHBondContact O-CB 3.29Å; L441-W445 PolarHBondContact O-N 2.89Å
442T80.4Confident72.5Confident21 Ų21101.8 Ų101.813%0.12951%0.508CS..Hα-helixtrans-62.5-39173.3-57.10000110.8F435 M436 N438 D439 E440 N446F435-T442 HydrophobicContact CD1-CG2 4.09Å; M436-T442 PolarHBondContact N-OG1 2.92Å; N438-T442 WeakPolarHBondContact O-CB 3.47Å; N438-T442 PolarHBondContact O-N 3.11Å; N438-T442 PolarHBondContact O-OG1 3.45Å; D439-T442 PolarHBondContact O-N 3.42Å; E440-T442 VanDerWaalsContact C-N 3.35Å; T442-N446 WeakPolarHBondContact O-CB 3.31Å; T442-N446 PolarHBondContact O-N 3.47Å; T442-N446 PolarHBondContact O-ND2 3.23Å
443R80.5Confident72.8Confident158 Ų15896 Ų9660%0.59650%0.497SS*.Hα-helixtrans-63.5-51.9174.6-169.9179.585.6137.88.1111.7D439 E440 L441 W445 N446 L447D439-R443 WeakPolarHBondContact O-CB 3.41Å; D439-R443 PolarHBondContact O-N 3.1Å; E440-R443 WeakPolarHBondContact O-CB 3.34Å; E440-R443 PolarHBondContact O-N 3.28Å; E440-R443 IonicContact OE2-CZ 3.8Å; E440-R443 IonicContact OE2-NE 3.91Å; E440-R443 PolarHBondContact OE2-NE 3.49Å; L441-R443 VanDerWaalsContact C-N 3.31Å; L441-R443 PolarHBondContact O-N 3.09Å; R443-W445 VanDerWaalsContact C-N 3.32Å; R443-W445 PolarHBondContact O-N 3.02Å; R443-N446 PolarHBondContact O-N 3.32Å; R443-L447 PolarHBondContact O-N 2.88Å
444L76.6Confident73Confident93 Ų9391.9 Ų91.949%0.48748%0.48SS..Hα-helixtrans-60.3-41.7-178.3-72173.4000112E440 L441 N446 L447E440-L444 WeakPolarHBondContact O-CG 3.49Å; E440-L444 PolarHBondContact O-N 3.31Å; L441-L444 PolarHBondContact O-N 3.48Å; L444-N446 PolarHBondContact O-N 2.89Å; L444-L447 HydrophobicContact CD2-CD1 3.9Å; L444-L447 PolarHBondContact O-N 3.05Å
445W74.7Confident72.9Confident159 Ų15994.3 Ų94.360%0.60250%0.498SS*.Hα-helixtrans-75.2-14.1-177.3-140.2-98.3000114.1V434 M436 L441 R443V434-W445 HydrophobicContact CG1-CG 4.37Å; M436-W445 HydrophobicContact CE-CD2 3.93Å; M436-W445 HydrophobicContact CE-CG 3.92Å; M436-W445 HydrophobicContact CE-CZ2 4.4Å; L441-W445 VanDerWaalsContact O-CB 3.31Å; L441-W445 WeakPolarHBondContact O-CB 3.29Å; L441-W445 PolarHBondContact O-N 2.89Å; R443-W445 VanDerWaalsContact C-N 3.32Å; R443-W445 PolarHBondContact O-N 3.02Å
446N76.7Confident72.9Confident52 Ų5296.2 Ų96.228%0.27851%0.508SS..THydrogen-bonded Turntrans-108.611.2177-65.7-54.7000113K433 V434 T442 R443 L444 N448K433-N446 WeakPolarHBondContact CA-OD1 3.46Å; V434-N446 PolarHBondContact N-ND2 3.38Å; V434-N446 PolarHBondContact N-OD1 3.47Å; V434-N446 PolarHBondContact O-ND2 2.77Å; T442-N446 WeakPolarHBondContact O-CB 3.31Å; T442-N446 PolarHBondContact O-N 3.47Å; T442-N446 PolarHBondContact O-ND2 3.23Å; R443-N446 PolarHBondContact O-N 3.32Å; L444-N446 PolarHBondContact O-N 2.89Å; N446-N448 VanDerWaalsContact C-N 3.32Å; N446-N448 PolarHBondContact O-N 3.18Å
447L72.9Confident73.1Confident112 Ų11295.1 Ų95.159%0.58651%0.506SS*.SBendtrans-62.1-39.3175.8-78.8170.2000112.3R443 L444R443-L447 PolarHBondContact O-N 2.88Å; L444-L447 HydrophobicContact CD2-CD1 3.9Å; L444-L447 PolarHBondContact O-N 3.05Å
448N67.9Low72.8Confident85 Ų8599 Ų9946%0.45550%0.5SS..  trans-144.1141.1173.3-75.9-50.1000108.7N446 D450 A454N446-N448 VanDerWaalsContact C-N 3.32Å; N446-N448 PolarHBondContact O-N 3.18Å; N448-D450 VanDerWaalsContact C-N 3.27Å; N448-D450 PolarHBondContact O-N 2.98Å; N448-A454 HydrophobicContact CB-CB 3.82Å; N448-A454 WeakPolarHBondContact ND2-CB 3.45Å
449H65.1Low72.2Confident141 Ų14199.5 Ų99.565%0.65351%0.51SS*.SBendtrans-71.1-21.9-176.1-169.2-68.4000113.1R432R432-H449 WeakPolarHBondContact CD-NE2 3.47Å
450D67.4Low71.7Confident90 Ų9098.8 Ų98.848%0.48150%0.497SS..  trans-145.4145.2178.4-165.9-2.3000110.6N448 M452 A453 A454N448-D450 VanDerWaalsContact C-N 3.27Å; N448-D450 PolarHBondContact O-N 2.98Å; D450-M452 PolarHBondContact O-N 3.48Å; D450-M452 PolarHBondContact OD1-N 3.22Å; D450-A453 HydrophobicContact CB-CB 4.26Å; D450-A453 PolarHBondContact O-N 3.44Å; D450-A454 PolarHBondContact O-N 3.17Å
451N68.5Low71.2Confident135 Ų135100.8 Ų100.872%0.72251%0.506SS*.Hα-helixtrans-63-34176.9-72.3-24.6000111.3A454 C455N451-A454 WeakPolarHBondContact O-CB 3.48Å; N451-A454 PolarHBondContact O-N 3.35Å; N451-C455 PolarHBondContact O-N 2.9Å; N451-C455 PolarHBondContact O-SG 3.38Å
452M68.4Low70.9Confident122 Ų122105.1 Ų105.160%0.60152%0.522SS*.Hα-helixtrans-67.1-42.1176.2-69.5-59.3-64.900111.8D450 A454 C455 Q456D450-M452 PolarHBondContact O-N 3.48Å; D450-M452 PolarHBondContact OD1-N 3.22Å; M452-A454 VanDerWaalsContact C-N 3.33Å; M452-C455 PolarHBondContact O-N 2.92Å; M452-Q456 WeakPolarHBondContact O-CG 3.46Å; M452-Q456 PolarHBondContact O-N 3.27Å
453A69.4Low70.6Confident47 Ų47107.5 Ų107.539%0.38853%0.533SS..Hα-helixtrans-65.7-37.617400000111.5D450 C455 Q456D450-A453 HydrophobicContact CB-CB 4.26Å; D450-A453 PolarHBondContact O-N 3.44Å; A453-C455 VanDerWaalsContact C-N 3.26Å; A453-C455 PolarHBondContact O-N 2.91Å; A453-Q456 PolarHBondContact O-N 2.65Å; A453-Q456 VanDerWaalsContact O-N 3.14Å
454A69.2Low70.5Confident9 Ų9102.6 Ų102.67%0.07452%0.521CS..Hα-helixtrans-62.9-31.7173.900000112.9N448 D450 N451 M452 Q456 R460N448-A454 HydrophobicContact CB-CB 3.82Å; N448-A454 WeakPolarHBondContact ND2-CB 3.45Å; D450-A454 PolarHBondContact O-N 3.17Å; N451-A454 WeakPolarHBondContact O-CB 3.48Å; N451-A454 PolarHBondContact O-N 3.35Å; M452-A454 VanDerWaalsContact C-N 3.33Å; A454-Q456 VanDerWaalsContact C-N 3.35Å; A454-R460 VanDerWaalsContact O-CD 3.27Å; A454-R460 WeakPolarHBondContact O-CD 3.32Å; A454-R460 PolarHBondContact O-NE 3.02Å
455C67.2Low70.6Confident80 Ų80100.2 Ų100.254%0.54151%0.512SS..Hα-helixtrans-80.3-14176-700000113.8N451 M452 A453N451-C455 PolarHBondContact O-N 2.9Å; N451-C455 PolarHBondContact O-SG 3.38Å; M452-C455 PolarHBondContact O-N 2.92Å; A453-C455 VanDerWaalsContact C-N 3.26Å; A453-C455 PolarHBondContact O-N 2.91Å
456Q70.6Confident70.6Confident150 Ų15094.3 Ų94.370%0.70149%0.492SS*.THydrogen-bonded Turntrans-93.42.1177-72.7174.6-3.700113.2M452 A453 A454 E458M452-Q456 WeakPolarHBondContact O-CG 3.46Å; M452-Q456 PolarHBondContact O-N 3.27Å; A453-Q456 PolarHBondContact O-N 2.65Å; A453-Q456 VanDerWaalsContact O-N 3.14Å; A454-Q456 VanDerWaalsContact C-N 3.35Å; Q456-E458 PolarHBondContact O-N 2.91Å
457S70.2Confident70.5Confident34 Ų3496.9 Ų96.924%0.23850%0.503CS..  trans-68.9137.2-179.579.20000111S459 R460S457-S459 PolarHBondContact O-N 2.99Å; S457-S459 VanDerWaalsContact O-N 3.12Å; S457-S459 PolarHBondContact OG-OG 3.34Å; S457-R460 WeakPolarHBondContact O-CB 3.15Å; S457-R460 PolarHBondContact O-N 3.01Å
458E68.5Low70.8Confident171 Ų17197 Ų9780%0.79950%0.504SS*.G310 helixtrans-56.4-29.6177.1-66174.7178.100112Q456 R460 E461Q456-E458 PolarHBondContact O-N 2.91Å; E458-R460 PolarHBondContact O-N 3.31Å; E458-R460 VanDerWaalsContact O-N 3.13Å; E458-E461 WeakPolarHBondContact O-CB 3.48Å; E458-E461 PolarHBondContact O-N 3.31Å
459S67.9Low71.4Confident99 Ų9994.3 Ų94.369%0.69249%0.488SS*.G310 helixtrans-65.1-11.9173.559.90000115.1S457S457-S459 PolarHBondContact O-N 2.99Å; S457-S459 VanDerWaalsContact O-N 3.12Å; S457-S459 PolarHBondContact OG-OG 3.34Å
460R67.8Low72.1Confident127 Ų12787.7 Ų87.748%0.47946%0.457SS..G310 helixtrans-103.92.9173.8-68.4-170.5178.2-165.6-2113A454 S457 E458 F462A454-R460 VanDerWaalsContact O-CD 3.27Å; A454-R460 WeakPolarHBondContact O-CD 3.32Å; A454-R460 PolarHBondContact O-NE 3.02Å; S457-R460 WeakPolarHBondContact O-CB 3.15Å; S457-R460 PolarHBondContact O-N 3.01Å; E458-R460 PolarHBondContact O-N 3.31Å; E458-R460 VanDerWaalsContact O-N 3.13Å; R460-F462 VanDerWaalsContact C-N 3.29Å; R460-F462 HydrophobicContact CB-CE2 4.02Å; R460-F462 HydrophobicContact CB-CZ 4.25Å; R460-F462 HydrophobicContact CG-CE2 4.36Å; R460-F462 HydrophobicContact CG-CZ 4.22Å; R460-F462 WeakPolarHBondContact O-CD2 3.34Å; R460-F462 VanDerWaalsContact O-CE2 3.29Å; R460-F462 WeakPolarHBondContact O-CE2 3.3Å; R460-F462 PolarHBondContact O-N 2.94Å
461E69.2Low72.6Confident147 Ų14788.6 Ų88.669%0.68746%0.459SS*.  trans-76.884.6165.1-66.9-163168.600109.3E458 M463E458-E461 WeakPolarHBondContact O-CB 3.48Å; E458-E461 PolarHBondContact O-N 3.31Å; E461-M463 PolarHBondContact O-N 2.94Å
462F70.7Confident73Confident176 Ų17687.4 Ų87.477%0.77245%0.449SS*.  trans-78.22.5-179-55.8-72000113.9R460R460-F462 VanDerWaalsContact C-N 3.29Å; R460-F462 HydrophobicContact CB-CE2 4.02Å; R460-F462 HydrophobicContact CB-CZ 4.25Å; R460-F462 HydrophobicContact CG-CE2 4.36Å; R460-F462 HydrophobicContact CG-CZ 4.22Å; R460-F462 WeakPolarHBondContact O-CD2 3.34Å; R460-F462 VanDerWaalsContact O-CE2 3.29Å; R460-F462 WeakPolarHBondContact O-CE2 3.3Å; R460-F462 PolarHBondContact O-N 2.94Å
463M72.7Confident73.3Confident71 Ų7181.7 Ų81.735%0.3542%0.421SS..  trans-98.4113.5-176.1-170.7176.7-63.400109.7E461 L502 R506E461-M463 PolarHBondContact O-N 2.94Å; M463-L502 HydrophobicContact CG-CD1 3.6Å; M463-L502 HydrophobicContact SD-CD1 4.08Å; M463-R506 HydrophobicContact SD-CG 4.09Å
464P78.2Confident73.7Confident54 Ų5481.5 Ų81.535%0.35141%0.413SS..  trans-67.5160.4177.629.5-34.4000111.2F469 L502P464-F469 HydrophobicContact CB-CB 4.37Å; P464-F469 HydrophobicContact CG-CB 4.18Å; P464-F469 HydrophobicContact CG-CD2 4.05Å; P464-F469 HydrophobicContact CG-CG 4.4Å; P464-L502 HydrophobicContact CG-CD2 4.29Å
465S79.1Confident73.9Confident44 Ų4486.5 Ų86.531%0.30844%0.435SS..  trans-69.2160.217179.50000110.6E467 D468 F469S465-E467 VanDerWaalsContact C-N 3.26Å; S465-E467 PolarHBondContact O-N 2.9Å; S465-D468 WeakPolarHBondContact CB-OD2 3.42Å; S465-D468 WeakPolarHBondContact OG-CB 3.14Å; S465-D468 PolarHBondContact OG-N 3.3Å; S465-D468 VanDerWaalsContact OG-N 3.11Å; S465-D468 PolarHBondContact OG-OD2 3.36Å; S465-F469 WeakPolarHBondContact O-CB 3.4Å; S465-F469 PolarHBondContact O-N 3.05Å
466L75.1Confident74.2Confident35 Ų3584.4 Ų84.418%0.18342%0.417CS..Hα-helixtrans-65.5-34.1175.9-74.6172000111.3F470 L502 L503 R506L466-F470 HydrophobicContact CD2-CD2 4.11Å; L466-F470 HydrophobicContact CD2-CE2 3.81Å; L466-F470 WeakPolarHBondContact O-CB 3.38Å; L466-F470 WeakPolarHBondContact O-CD2 3.48Å; L466-F470 PolarHBondContact O-N 3.35Å; L466-F470 VanDerWaalsContact O-N 3.16Å; L466-L502 HydrophobicContact CD2-CD2 3.99Å; L466-L502 HydrophobicContact CD2-CG 3.81Å; L466-L503 HydrophobicContact CD2-CD2 4.12Å; L466-R506 HydrophobicContact CD1-CB 3.71Å; L466-R506 HydrophobicContact CD2-CB 4.17Å; L466-R506 HydrophobicContact CG-CB 3.8Å
467E74.7Confident74Confident106 Ų10678.8 Ų78.850%0.49540%0.396SS..Hα-helixtrans-66.4-53.7-179.3-60.1176.7-178.100110.1S465 F469 F470 E471 L536S465-E467 VanDerWaalsContact C-N 3.26Å; S465-E467 PolarHBondContact O-N 2.9Å; E467-F469 VanDerWaalsContact C-N 3.31Å; E467-F469 PolarHBondContact O-N 3.22Å; E467-F470 PolarHBondContact O-N 3.31Å; E467-E471 PolarHBondContact O-N 2.61Å; E467-L536 HydrophobicContact CG-CD1 4.1Å; E467-L536 HydrophobicContact CG-CD2 4.07Å; E467-L536 HydrophobicContact CG-CG 4.18Å
468D78.4Confident73.9Confident113 Ų11379.1 Ų79.160%0.60440%0.396SS*.Hα-helixtrans-64.6-32.9-178.3-55.6-41.3000112.8S465S465-D468 WeakPolarHBondContact CB-OD2 3.42Å; S465-D468 WeakPolarHBondContact OG-CB 3.14Å; S465-D468 PolarHBondContact OG-N 3.3Å; S465-D468 VanDerWaalsContact OG-N 3.11Å; S465-D468 PolarHBondContact OG-OD2 3.36Å
469F80.5Confident73.6Confident30 Ų3075.6 Ų75.613%0.13239%0.387CS..Hα-helixtrans-81.9-31.9-176.3-174.7-94.3000113.3P464 S465 E467 Y495 R498 A499 L502P464-F469 HydrophobicContact CB-CB 4.37Å; P464-F469 HydrophobicContact CG-CB 4.18Å; P464-F469 HydrophobicContact CG-CD2 4.05Å; P464-F469 HydrophobicContact CG-CG 4.4Å; S465-F469 WeakPolarHBondContact O-CB 3.4Å; S465-F469 PolarHBondContact O-N 3.05Å; E467-F469 VanDerWaalsContact C-N 3.31Å; E467-F469 PolarHBondContact O-N 3.22Å; F469-Y495 HydrophobicContact CD1-CE2 4.3Å; F469-Y495 HydrophobicContact CE1-CD2 4.18Å; F469-Y495 HydrophobicContact CE1-CE1 4.38Å; F469-Y495 AromaticContact CE1-CE2 3.55Å; F469-Y495 HydrophobicContact CE1-CE2 3.55Å; F469-Y495 AromaticContact CE1-CZ 3.66Å; F469-Y495 HydrophobicContact CE2-CD2 4.45Å; F469-Y495 HydrophobicContact CE2-CE2 4.09Å; F469-Y495 AromaticContact CZ-CD2 3.72Å; F469-Y495 HydrophobicContact CZ-CD2 3.72Å; F469-Y495 AromaticContact CZ-CE2 3.43Å; F469-Y495 HydrophobicContact CZ-CE2 3.43Å; F469-Y495 VanDerWaalsContact CZ-CE2 3.43Å; F469-Y495 PolarHBondContact O-OH 3.49Å; F469-R498 HydrophobicContact CE2-CB 4.5Å; F469-R498 HydrophobicContact CZ-CB 3.88Å; F469-A499 HydrophobicContact CE1-CB 3.89Å; F469-L502 HydrophobicContact CB-CD2 3.58Å; F469-L502 HydrophobicContact CD1-CD2 3.7Å; F469-L502 HydrophobicContact CD2-CD2 4.47Å; F469-L502 HydrophobicContact CG-CD2 3.64Å
470F79.7Confident73.2Confident2 Ų274.4 Ų74.41%0.00938%0.384CS..Hα-helixtrans-99.7-3.5-177.7-74.2-80.1000113.9L466 E467 E472 A473 I474 A499 L502 L503 V529 L532L466-F470 HydrophobicContact CD2-CD2 4.11Å; L466-F470 HydrophobicContact CD2-CE2 3.81Å; L466-F470 WeakPolarHBondContact O-CB 3.38Å; L466-F470 WeakPolarHBondContact O-CD2 3.48Å; L466-F470 PolarHBondContact O-N 3.35Å; L466-F470 VanDerWaalsContact O-N 3.16Å; E467-F470 PolarHBondContact O-N 3.31Å; F470-E472 PolarHBondContact O-N 2.7Å; F470-A473 HydrophobicContact CD1-CB 4.25Å; F470-A473 CarbonylContact O-C 3.58Å; F470-A473 WeakPolarHBondContact O-CA 3.43Å; F470-A473 PolarHBondContact O-N 2.85Å; F470-I474 HydrophobicContact CB-CD1 4.16Å; F470-I474 HydrophobicContact CB-CG1 4.4Å; F470-I474 VanDerWaalsContact O-CG1 3.29Å; F470-I474 WeakPolarHBondContact O-CG1 3.37Å; F470-I474 PolarHBondContact O-N 3.32Å; F470-A499 HydrophobicContact CE1-CB 3.68Å; F470-A499 HydrophobicContact CZ-CB 3.54Å; F470-L502 HydrophobicContact CE2-CD2 4.25Å; F470-L503 HydrophobicContact CE1-CD1 4.48Å; F470-L503 HydrophobicContact CE2-CD2 3.83Å; F470-L503 HydrophobicContact CE2-CG 3.93Å; F470-L503 HydrophobicContact CZ-CD1 3.78Å; F470-L503 HydrophobicContact CZ-CD2 3.87Å; F470-L503 HydrophobicContact CZ-CG 3.64Å; F470-V529 HydrophobicContact CD1-CG2 3.75Å; F470-V529 HydrophobicContact CE1-CG2 4.1Å; F470-L532 HydrophobicContact CD2-CD1 4.22Å; F470-L532 HydrophobicContact CE2-CD1 4.43Å; F470-L532 HydrophobicContact CG-CD1 4.46Å
471E78.3Confident72.9Confident108 Ų10872.8 Ų72.851%0.50539%0.385SS..Hα-helixtrans-46.7-55.1176.6-172.1176.2-159.400112.4E467 A473 I474 E475E467-E471 PolarHBondContact O-N 2.61Å; E471-A473 VanDerWaalsContact C-N 3.29Å; E471-A473 PolarHBondContact O-N 2.88Å; E471-I474 PolarHBondContact O-N 3.04Å; E471-I474 VanDerWaalsContact O-N 3.17Å; E471-E475 WeakPolarHBondContact O-CG 3.42Å; E471-E475 PolarHBondContact O-N 2.71Å
472E77.4Confident72.4Confident110 Ų11074.1 Ų74.151%0.51439%0.393SS..Hα-helixtrans-62-34.7178.9-173.5-178.517700112.8F470 Q476 V489F470-E472 PolarHBondContact O-N 2.7Å; E472-Q476 WeakPolarHBondContact O-CB 3.45Å; E472-Q476 WeakPolarHBondContact O-CG 3.42Å; E472-Q476 PolarHBondContact O-N 3Å; E472-Q476 PolarHBondContact OE1-NE2 3.41Å; E472-V489 HydrophobicContact CG-CG2 3.95Å; E472-V489 WeakPolarHBondContact OE1-CG2 3.23Å
473A75.5Confident71.9Confident2 Ų268.4 Ų68.42%0.01737%0.372CS..Hα-helixtrans-76.2-32.1178.500000112.4F470 E471 A477 V490 Y495 V529F470-A473 HydrophobicContact CD1-CB 4.25Å; F470-A473 CarbonylContact O-C 3.58Å; F470-A473 WeakPolarHBondContact O-CA 3.43Å; F470-A473 PolarHBondContact O-N 2.85Å; E471-A473 VanDerWaalsContact C-N 3.29Å; E471-A473 PolarHBondContact O-N 2.88Å; A473-A477 WeakPolarHBondContact O-CB 3.49Å; A473-A477 PolarHBondContact O-N 3.2Å; A473-A477 VanDerWaalsContact O-N 3.16Å; A473-V490 HydrophobicContact CB-CG2 4.11Å; A473-Y495 HydrophobicContact CB-CE1 4.22Å; A473-Y495 WeakPolarHBondContact CB-OH 3.46Å; A473-V529 HydrophobicContact CB-CG2 4.15Å
474I75.9Confident71.4Confident44 Ų4471.6 Ų71.623%0.22639%0.386CS..Hα-helixtrans-70.3-45.4174.9-67.7166.1000109.6F470 E471 Q476 A477 D478 V529 A533F470-I474 HydrophobicContact CB-CD1 4.16Å; F470-I474 HydrophobicContact CB-CG1 4.4Å; F470-I474 VanDerWaalsContact O-CG1 3.29Å; F470-I474 WeakPolarHBondContact O-CG1 3.37Å; F470-I474 PolarHBondContact O-N 3.32Å; E471-I474 PolarHBondContact O-N 3.04Å; E471-I474 VanDerWaalsContact O-N 3.17Å; I474-Q476 VanDerWaalsContact C-N 3.31Å; I474-Q476 PolarHBondContact O-N 3.46Å; I474-A477 PolarHBondContact O-N 3.2Å; I474-A477 VanDerWaalsContact O-N 3.11Å; I474-D478 PolarHBondContact O-N 3.47Å; I474-V529 HydrophobicContact CB-CG1 4.38Å; I474-V529 HydrophobicContact CG1-CG1 3.72Å; I474-A533 HydrophobicContact CG1-CB 4.44Å; I474-A533 HydrophobicContact CG2-CB 4Å
475E74.4Confident70.7Confident113 Ų11373.6 Ų73.653%0.52839%0.394SS..Hα-helixtrans-60.4-38.9176.2-72.5-173.5164.400112.4E471 A477 D478 N481E471-E475 WeakPolarHBondContact O-CG 3.42Å; E471-E475 PolarHBondContact O-N 2.71Å; E475-A477 VanDerWaalsContact C-N 3.31Å; E475-D478 PolarHBondContact O-N 3.31Å; E475-N481 PolarHBondContact O-ND2 3.47Å
476Q72.5Confident69.9Low36 Ų3679.3 Ų79.317%0.16842%0.416CS..Hα-helixtrans-76-16.9177.2-70.7174.714.800113.9E472 I474 V489E472-Q476 WeakPolarHBondContact O-CB 3.45Å; E472-Q476 WeakPolarHBondContact O-CG 3.42Å; E472-Q476 PolarHBondContact O-N 3Å; E472-Q476 PolarHBondContact OE1-NE2 3.41Å; I474-Q476 VanDerWaalsContact C-N 3.31Å; I474-Q476 PolarHBondContact O-N 3.46Å; Q476-V489 VanDerWaalsContact NE2-CG2 3.32Å
477A66.4Low69.5Low32 Ų3285.9 Ų85.926%0.26444%0.439SS..Hα-helixtrans-82.5-16.2175.900000112.7A473 I474 E475 P479 V529A473-A477 WeakPolarHBondContact O-CB 3.49Å; A473-A477 PolarHBondContact O-N 3.2Å; A473-A477 VanDerWaalsContact O-N 3.16Å; I474-A477 PolarHBondContact O-N 3.2Å; I474-A477 VanDerWaalsContact O-N 3.11Å; E475-A477 VanDerWaalsContact C-N 3.31Å; A477-P479 WeakPolarHBondContact O-CD 3.44Å; A477-V529 HydrophobicContact CB-CG1 4.06Å
478D70.1Confident69.4Low42 Ų4282.3 Ų82.323%0.22542%0.422CS..SBendtrans-69.3119174.9-170.4-20.8000111I474 E475 A480 N481I474-D478 PolarHBondContact O-N 3.47Å; E475-D478 PolarHBondContact O-N 3.31Å; D478-A480 PolarHBondContact O-N 2.95Å; D478-A480 WeakPolarHBondContact OD1-CB 3.38Å; D478-A480 PolarHBondContact OD1-N 2.99Å; D478-N481 PolarHBondContact O-N 3.17Å; D478-N481 VanDerWaalsContact O-N 3.16Å
479P61.6Low69.2Low96 Ų9678 Ų7862%0.62340%0.4SS*.G310 helixtrans-57-19178.2-24.234.4000115.1A477A477-P479 WeakPolarHBondContact O-CD 3.44Å
480A59Low68.8Low75 Ų7577.1 Ų77.162%0.6240%0.397SS*.G310 helixtrans-71.8-25.3178.900000113.8D478 M482D478-A480 PolarHBondContact O-N 2.95Å; D478-A480 WeakPolarHBondContact OD1-CB 3.38Å; D478-A480 PolarHBondContact OD1-N 2.99Å; A480-M482 VanDerWaalsContact C-N 3.32Å; A480-M482 PolarHBondContact O-N 2.87Å
481N61.8Low68.4Low93 Ų9380.9 Ų80.950%0.49742%0.415SS..G310 helixtrans-83.8-2.4-176.1-76.1-30.5000114.2E475 D478 V483E475-N481 PolarHBondContact O-ND2 3.47Å; D478-N481 PolarHBondContact O-N 3.17Å; D478-N481 VanDerWaalsContact O-N 3.16Å; N481-V483 VanDerWaalsContact C-N 3.26Å; N481-V483 HydrophobicContact CB-CG2 4.38Å; N481-V483 PolarHBondContact O-N 3.4Å; N481-V483 VanDerWaalsContact O-N 3.09Å
482M57.8Low68.4Low174 Ų17479.9 Ų79.986%0.85741%0.413SS*.  trans44.541.4174.3-61.8-156.5-17600115.2A480A480-M482 VanDerWaalsContact C-N 3.32Å; A480-M482 PolarHBondContact O-N 2.87Å
483V60.4Low68.3Low56 Ų5678.1 Ų78.134%0.33941%0.413SS..  trans-85.3125.9176.2-176.20000110.1N481 K488N481-V483 VanDerWaalsContact C-N 3.26Å; N481-V483 HydrophobicContact CB-CG2 4.38Å; N481-V483 PolarHBondContact O-N 3.4Å; N481-V483 VanDerWaalsContact O-N 3.09Å; V483-K488 HydrophobicContact CG1-CG 4.43Å
484E63.4Low68.5Low138 Ų13883.9 Ų83.965%0.64544%0.443SS*.  trans-65.4141.9177-70.9178.5177.400111.7E486 Y487E484-E486 PolarHBondContact O-N 3.41Å; E484-E486 VanDerWaalsContact O-N 3.09Å; E484-Y487 HydrophobicContact CB-CD2 4.18Å; E484-Y487 PolarHBondContact O-N 3.31Å
485N63.3Low68.9Low97 Ų9783 Ų8352%0.51944%0.437SS..G310 helixtrans-56.7-31.7-171.8-73.8-21.2000114.2Y487 K488 H491N485-Y487 PolarHBondContact O-N 3.17Å; N485-K488 PolarHBondContact O-N 3.5Å; N485-K488 WeakPolarHBondContact OD1-CE 3.42Å; N485-K488 PolarHBondContact OD1-NZ 2.84Å; N485-H491 PolarHBondContact O-ND1 2.96Å
486E61.5Low69.1Low164 Ų16477.6 Ų77.677%0.76641%0.412SS*.G310 helixtrans-67.6-24.3179.8-66.3-173.9172.700113.3E484E484-E486 PolarHBondContact O-N 3.41Å; E484-E486 VanDerWaalsContact O-N 3.09Å
487Y67.6Low69.5Low172 Ų17282 Ų8268%0.67543%0.427SS*.G310 helixtrans-98.7-1.6-177.4-66.2-75.1000113.6E484 N485E484-Y487 HydrophobicContact CB-CD2 4.18Å; E484-Y487 PolarHBondContact O-N 3.31Å; N485-Y487 PolarHBondContact O-N 3.17Å
488K72.3Confident70.3Confident32 Ų3287.8 Ų87.814%0.13944%0.442CS..  trans-67134.5176.1-70.7178.8173171.50111V483 N485 V490 H491 E526V483-K488 HydrophobicContact CG1-CG 4.43Å; N485-K488 PolarHBondContact O-N 3.5Å; N485-K488 WeakPolarHBondContact OD1-CE 3.42Å; N485-K488 PolarHBondContact OD1-NZ 2.84Å; K488-V490 PolarHBondContact O-N 3.18Å; K488-H491 PolarHBondContact O-N 3.1Å; K488-E526 WeakPolarHBondContact CD-OE1 3.36Å; K488-E526 IonicContact NZ-OE1 2.89Å; K488-E526 PolarHBondContact NZ-OE1 3.25Å
489V73.1Confident70.9Confident23 Ų2385.8 Ų85.814%0.13943%0.431CS..G310 helixtrans-60.4-26.8-178.5-156.40000111.9E472 Q476 H491 N492 Y495E472-V489 HydrophobicContact CG-CG2 3.95Å; E472-V489 WeakPolarHBondContact OE1-CG2 3.23Å; Q476-V489 VanDerWaalsContact NE2-CG2 3.32Å; V489-H491 PolarHBondContact O-N 2.73Å; V489-N492 VanDerWaalsContact O-CB 3.3Å; V489-N492 WeakPolarHBondContact O-CB 3.33Å; V489-N492 PolarHBondContact O-N 3.42Å; V489-Y495 HydrophobicContact CB-CD1 4.09Å; V489-Y495 HydrophobicContact CB-CD2 4.49Å; V489-Y495 HydrophobicContact CB-CE1 4.24Å; V489-Y495 HydrophobicContact CB-CG 4.23Å; V489-Y495 HydrophobicContact CG1-CD1 3.71Å; V489-Y495 HydrophobicContact CG1-CD2 3.46Å; V489-Y495 VanDerWaalsContact CG1-CD2 3.46Å; V489-Y495 HydrophobicContact CG1-CE1 4.16Å; V489-Y495 HydrophobicContact CG1-CE2 3.94Å; V489-Y495 HydrophobicContact CG1-CG 3.34Å; V489-Y495 WeakPolarHBondContact O-CD1 3.37Å
490V72.8Confident71.8Confident10 Ų1082.8 Ų82.86%0.06141%0.41CS..G310 helixtrans-61.1-28.8176.8-1790000113.2A473 K488 N492 A522 L525 E526A473-V490 HydrophobicContact CB-CG2 4.11Å; K488-V490 PolarHBondContact O-N 3.18Å; V490-N492 VanDerWaalsContact C-N 3.34Å; V490-A522 HydrophobicContact CG1-CB 4.21Å; V490-A522 VanDerWaalsContact CG1-O 3.24Å; V490-A522 WeakPolarHBondContact CG1-O 3.25Å; V490-L525 HydrophobicContact CG1-CB 3.37Å; V490-L525 HydrophobicContact CG1-CD1 4.23Å; V490-L525 HydrophobicContact CG1-CG 4.46Å; V490-E526 HydrophobicContact CB-CG 4.32Å; V490-E526 HydrophobicContact CG1-CG 3.87Å
491H71.8Confident73Confident82 Ų8286.9 Ų86.938%0.3841%0.41SS..G310 helixtrans-82.3-11.9176.1-7278.9000112.9N485 K488 V489 S493 E526N485-H491 PolarHBondContact O-ND1 2.96Å; K488-H491 PolarHBondContact O-N 3.1Å; V489-H491 PolarHBondContact O-N 2.73Å; H491-S493 PolarHBondContact O-N 2.93Å; H491-E526 IonicContact CE1-OE1 3.59Å
492N79Confident74Confident87 Ų8783.1 Ų83.147%0.46539%0.389SS..  trans-76.4113.6173.5-173-22.4000110.2V489 V490 N494 Y495 G496V489-N492 VanDerWaalsContact O-CB 3.3Å; V489-N492 WeakPolarHBondContact O-CB 3.33Å; V489-N492 PolarHBondContact O-N 3.42Å; V490-N492 VanDerWaalsContact C-N 3.34Å; N492-N494 VanDerWaalsContact C-N 3.26Å; N492-N494 PolarHBondContact O-N 3.43Å; N492-N494 VanDerWaalsContact O-N 3.14Å; N492-N494 PolarHBondContact OD1-N 3.28Å; N492-Y495 PolarHBondContact O-N 2.9Å; N492-G496 PolarHBondContact O-N 2.91Å
493S74.1Confident75.1Confident73 Ų7374.8 Ų74.851%0.5135%0.348SS..Hα-helixtrans-51.4-40.9-177.5-173.50000113.5H491 G496 W497H491-S493 PolarHBondContact O-N 2.93Å; S493-G496 PolarHBondContact O-N 3.47Å; S493-W497 PolarHBondContact O-N 3.36Å
494N80.4Confident76Confident123 Ų12374 Ų7466%0.65835%0.345SS*.Hα-helixtrans-69.4-38.7-179.8-77.6-35.1000112.8N492 R498N492-N494 VanDerWaalsContact C-N 3.26Å; N492-N494 PolarHBondContact O-N 3.43Å; N492-N494 VanDerWaalsContact O-N 3.14Å; N492-N494 PolarHBondContact OD1-N 3.28Å; N494-R498 VanDerWaalsContact O-CG 3.27Å; N494-R498 WeakPolarHBondContact O-CG 3.19Å; N494-R498 PolarHBondContact O-N 2.98Å
495Y83.1Confident76.7Confident24 Ų2476.4 Ų76.49%0.09435%0.348CS..Hα-helixtrans-67.3-45173.7-179.1-95.4000109.9F469 A473 V489 N492 W497 R498 A499F469-Y495 HydrophobicContact CD1-CE2 4.3Å; F469-Y495 HydrophobicContact CE1-CD2 4.18Å; F469-Y495 HydrophobicContact CE1-CE1 4.38Å; F469-Y495 AromaticContact CE1-CE2 3.55Å; F469-Y495 HydrophobicContact CE1-CE2 3.55Å; F469-Y495 AromaticContact CE1-CZ 3.66Å; F469-Y495 HydrophobicContact CE2-CD2 4.45Å; F469-Y495 HydrophobicContact CE2-CE2 4.09Å; F469-Y495 AromaticContact CZ-CD2 3.72Å; F469-Y495 HydrophobicContact CZ-CD2 3.72Å; F469-Y495 AromaticContact CZ-CE2 3.43Å; F469-Y495 HydrophobicContact CZ-CE2 3.43Å; F469-Y495 VanDerWaalsContact CZ-CE2 3.43Å; F469-Y495 PolarHBondContact O-OH 3.49Å; A473-Y495 HydrophobicContact CB-CE1 4.22Å; A473-Y495 WeakPolarHBondContact CB-OH 3.46Å; V489-Y495 HydrophobicContact CB-CD1 4.09Å; V489-Y495 HydrophobicContact CB-CD2 4.49Å; V489-Y495 HydrophobicContact CB-CE1 4.24Å; V489-Y495 HydrophobicContact CB-CG 4.23Å; V489-Y495 HydrophobicContact CG1-CD1 3.71Å; V489-Y495 HydrophobicContact CG1-CD2 3.46Å; V489-Y495 VanDerWaalsContact CG1-CD2 3.46Å; V489-Y495 HydrophobicContact CG1-CE1 4.16Å; V489-Y495 HydrophobicContact CG1-CE2 3.94Å; V489-Y495 HydrophobicContact CG1-CG 3.34Å; V489-Y495 WeakPolarHBondContact O-CD1 3.37Å; N492-Y495 PolarHBondContact O-N 2.9Å; Y495-W497 PolarHBondContact O-N 3.38Å; Y495-R498 PolarHBondContact O-N 2.84Å; Y495-A499 HydrophobicContact CD1-CB 4.45Å; Y495-A499 HydrophobicContact CE1-CB 4.31Å; Y495-A499 VanDerWaalsContact O-CB 3.26Å; Y495-A499 WeakPolarHBondContact O-CB 3.26Å; Y495-A499 PolarHBondContact O-N 3.45Å
496G80.1Confident77.4Confident1 Ų178.6 Ų78.61%0.0135%0.349CS..Hα-helixtrans-58.6-42.6179.500000113.6N492 S493 A499 L500N492-G496 PolarHBondContact O-N 2.91Å; S493-G496 PolarHBondContact O-N 3.47Å; G496-A499 PolarHBondContact O-N 3.18Å; G496-L500 WeakPolarHBondContact O-CB 3.46Å; G496-L500 PolarHBondContact O-N 3.48Å
497W80.9Confident78Confident129 Ų12971.1 Ų71.149%0.48932%0.315SS..Hα-helixtrans-69.1-32.1175.3-76.6114.4000113.8S493 Y495 L500 R501 L521S493-W497 PolarHBondContact O-N 3.36Å; Y495-W497 PolarHBondContact O-N 3.38Å; W497-L500 HydrophobicContact CE3-CD2 4.03Å; W497-L500 HydrophobicContact CZ3-CD2 3.86Å; W497-R501 WeakPolarHBondContact O-CG 3.21Å; W497-R501 PolarHBondContact O-N 3.17Å; W497-R501 PolarHBondContact O-NE 3.07Å; W497-L521 HydrophobicContact CD2-CD2 4.41Å
498R81.7Confident78.1Confident152 Ų15267.8 Ų67.857%0.57431%0.314SS*.Hα-helixtrans-71.8-44.1174.4-72.3173.368.6-175.40.2111F469 N494 Y495 R501 L502F469-R498 HydrophobicContact CE2-CB 4.5Å; F469-R498 HydrophobicContact CZ-CB 3.88Å; N494-R498 VanDerWaalsContact O-CG 3.27Å; N494-R498 WeakPolarHBondContact O-CG 3.19Å; N494-R498 PolarHBondContact O-N 2.98Å; Y495-R498 PolarHBondContact O-N 2.84Å; R498-R501 PolarHBondContact O-N 3.3Å; R498-L502 PolarHBondContact O-N 3.16Å
499A82.9Confident77.8Confident0 Ų067.8 Ų67.80%032%0.315CS..Hα-helixtrans-56-50.917400000111.1F469 F470 Y495 G496 R501 L502 L503 L525F469-A499 HydrophobicContact CE1-CB 3.89Å; F470-A499 HydrophobicContact CE1-CB 3.68Å; F470-A499 HydrophobicContact CZ-CB 3.54Å; Y495-A499 HydrophobicContact CD1-CB 4.45Å; Y495-A499 HydrophobicContact CE1-CB 4.31Å; Y495-A499 VanDerWaalsContact O-CB 3.26Å; Y495-A499 WeakPolarHBondContact O-CB 3.26Å; Y495-A499 PolarHBondContact O-N 3.45Å; G496-A499 PolarHBondContact O-N 3.18Å; A499-R501 VanDerWaalsContact C-N 3.35Å; A499-R501 PolarHBondContact O-N 3.28Å; A499-L502 PolarHBondContact O-N 2.84Å; A499-L502 VanDerWaalsContact O-N 3.11Å; A499-L503 WeakPolarHBondContact O-CB 3.25Å; A499-L503 VanDerWaalsContact O-CG 3.26Å; A499-L503 WeakPolarHBondContact O-CG 3.36Å; A499-L503 PolarHBondContact O-N 3.29Å; A499-L525 HydrophobicContact CB-CD1 4.16Å; A499-L525 HydrophobicContact CB-CD2 3.85Å
500L80.7Confident77.8Confident34 Ų3468.7 Ų68.718%0.17832%0.317CS..Hα-helixtrans-58.8-44179.8-163.978.7000112.3G496 W497 L502 L503 S504 F510 L521 Y524G496-L500 WeakPolarHBondContact O-CB 3.46Å; G496-L500 PolarHBondContact O-N 3.48Å; W497-L500 HydrophobicContact CE3-CD2 4.03Å; W497-L500 HydrophobicContact CZ3-CD2 3.86Å; L500-L502 VanDerWaalsContact C-N 3.32Å; L500-L502 PolarHBondContact O-N 3.22Å; L500-L503 PolarHBondContact O-N 3.46Å; L500-S504 WeakPolarHBondContact O-CB 3.32Å; L500-S504 PolarHBondContact O-N 2.94Å; L500-F510 HydrophobicContact CD1-CE2 3.49Å; L500-F510 VanDerWaalsContact CD1-CE2 3.49Å; L500-F510 HydrophobicContact CD1-CZ 3.94Å; L500-F510 HydrophobicContact CG-CE2 3.89Å; L500-F510 HydrophobicContact CG-CZ 4.03Å; L500-L521 HydrophobicContact CD1-CD1 3.83Å; L500-L521 HydrophobicContact CD2-CD1 4.28Å; L500-L521 HydrophobicContact CG-CD1 4.45Å; L500-Y524 HydrophobicContact CD1-CD1 3.91Å; L500-Y524 HydrophobicContact CD1-CE1 3.64Å
501R83.3Confident77.6Confident161 Ų16175.6 Ų75.661%0.60835%0.347SS*.Hα-helixtrans-66.7-32.1177.1-75.1-179.3-122.7159.5-3.6113.2W497 R498 A499 S504 R505W497-R501 WeakPolarHBondContact O-CG 3.21Å; W497-R501 PolarHBondContact O-N 3.17Å; W497-R501 PolarHBondContact O-NE 3.07Å; R498-R501 PolarHBondContact O-N 3.3Å; A499-R501 VanDerWaalsContact C-N 3.35Å; A499-R501 PolarHBondContact O-N 3.28Å; R501-S504 PolarHBondContact O-OG 3.42Å; R501-R505 WeakPolarHBondContact O-CG 3.39Å
502L83.3Confident77.5Confident13 Ų1376.1 Ų76.17%0.06835%0.349CS..Hα-helixtrans-74.1-46.7177.2-171.864.7000110.3M463 P464 L466 F469 F470 R498 A499 L500 S504 R505 R506M463-L502 HydrophobicContact CG-CD1 3.6Å; M463-L502 HydrophobicContact SD-CD1 4.08Å; P464-L502 HydrophobicContact CG-CD2 4.29Å; L466-L502 HydrophobicContact CD2-CD2 3.99Å; L466-L502 HydrophobicContact CD2-CG 3.81Å; F469-L502 HydrophobicContact CB-CD2 3.58Å; F469-L502 HydrophobicContact CD1-CD2 3.7Å; F469-L502 HydrophobicContact CD2-CD2 4.47Å; F469-L502 HydrophobicContact CG-CD2 3.64Å; F470-L502 HydrophobicContact CE2-CD2 4.25Å; R498-L502 PolarHBondContact O-N 3.16Å; A499-L502 PolarHBondContact O-N 2.84Å; A499-L502 VanDerWaalsContact O-N 3.11Å; L500-L502 VanDerWaalsContact C-N 3.32Å; L500-L502 PolarHBondContact O-N 3.22Å; L502-S504 VanDerWaalsContact C-N 3.33Å; L502-S504 PolarHBondContact O-N 3.47Å; L502-R505 PolarHBondContact O-N 3.34Å; L502-R505 VanDerWaalsContact O-N 3.15Å; L502-R506 HydrophobicContact CD1-CG 4.33Å; L502-R506 PolarHBondContact O-N 2.98Å
503L80.9Confident76.5Confident0 Ų078.1 Ų78.10%037%0.367CS..Hα-helixtrans-57.1-45.5176-69.7166.9000111.5L466 F470 A499 L500 R505 R506 S507 F510 L525 M528 L532L466-L503 HydrophobicContact CD2-CD2 4.12Å; F470-L503 HydrophobicContact CE1-CD1 4.48Å; F470-L503 HydrophobicContact CE2-CD2 3.83Å; F470-L503 HydrophobicContact CE2-CG 3.93Å; F470-L503 HydrophobicContact CZ-CD1 3.78Å; F470-L503 HydrophobicContact CZ-CD2 3.87Å; F470-L503 HydrophobicContact CZ-CG 3.64Å; A499-L503 WeakPolarHBondContact O-CB 3.25Å; A499-L503 VanDerWaalsContact O-CG 3.26Å; A499-L503 WeakPolarHBondContact O-CG 3.36Å; A499-L503 PolarHBondContact O-N 3.29Å; L500-L503 PolarHBondContact O-N 3.46Å; L503-R505 PolarHBondContact O-N 3.04Å; L503-R505 VanDerWaalsContact O-N 3.08Å; L503-R506 PolarHBondContact O-N 3.12Å; L503-S507 WeakPolarHBondContact O-CA 3.49Å; L503-S507 VanDerWaalsContact O-CB 3.28Å; L503-S507 WeakPolarHBondContact O-CB 3.44Å; L503-S507 PolarHBondContact O-N 3.27Å; L503-F510 HydrophobicContact CB-CD2 3.67Å; L503-F510 HydrophobicContact CB-CE2 4.25Å; L503-F510 HydrophobicContact CB-CG 4.48Å; L503-L525 HydrophobicContact CD1-CD2 3.55Å; L503-M528 HydrophobicContact CD1-CB 4.45Å; L503-M528 HydrophobicContact CD1-CG 3.87Å; L503-M528 HydrophobicContact CD2-CE 4.21Å; L503-M528 HydrophobicContact CD2-CG 3.91Å; L503-L532 HydrophobicContact CD2-CD1 3.59Å
504S80.1Confident75.8Confident38 Ų3877.1 Ų77.127%0.26636%0.358SS..Hα-helixtrans-63-18.7-17979.40000114.4L500 R501 L502 F510 F511L500-S504 WeakPolarHBondContact O-CB 3.32Å; L500-S504 PolarHBondContact O-N 2.94Å; R501-S504 PolarHBondContact O-OG 3.42Å; L502-S504 VanDerWaalsContact C-N 3.33Å; L502-S504 PolarHBondContact O-N 3.47Å; S504-F510 VanDerWaalsContact CA-CG 3.5Å; S504-F510 VanDerWaalsContact CB-CE1 3.42Å; S504-F511 WeakPolarHBondContact O-CE2 3.43Å
505R78.4Confident74.7Confident190 Ų19079.5 Ų79.572%0.71737%0.37SS*.Hα-helixtrans-105.7-31.3-177.6-62.6-176.594.9140.16.9113.3R501 L502 L503R501-R505 WeakPolarHBondContact O-CG 3.39Å; L502-R505 PolarHBondContact O-N 3.34Å; L502-R505 VanDerWaalsContact O-N 3.15Å; L503-R505 PolarHBondContact O-N 3.04Å; L503-R505 VanDerWaalsContact O-N 3.08Å
506R76.7Confident73.8Confident143 Ų14384.2 Ų84.254%0.5439%0.393SS..Hα-helixtrans-112.8-29-173.2-68.7-71.2-168.7155.13.7113.5M463 L466 L502 L503M463-R506 HydrophobicContact SD-CG 4.09Å; L466-R506 HydrophobicContact CD1-CB 3.71Å; L466-R506 HydrophobicContact CD2-CB 4.17Å; L466-R506 HydrophobicContact CG-CB 3.8Å; L502-R506 HydrophobicContact CD1-CG 4.33Å; L502-R506 PolarHBondContact O-N 2.98Å; L503-R506 PolarHBondContact O-N 3.12Å
507S74.6Confident72.9Confident7 Ų793.5 Ų93.55%0.04944%0.436CS..  trans-88.3122.5-178.1-178.20000110.5L503 H509 F510 M528L503-S507 WeakPolarHBondContact O-CA 3.49Å; L503-S507 VanDerWaalsContact O-CB 3.28Å; L503-S507 WeakPolarHBondContact O-CB 3.44Å; L503-S507 PolarHBondContact O-N 3.27Å; S507-H509 PolarHBondContact O-N 2.93Å; S507-H509 PolarHBondContact OG-N 3.38Å; S507-F510 PolarHBondContact O-N 3.27Å; S507-M528 WeakPolarHBondContact OG-CE 3.49Å
508P69.9Low72.1Confident101 Ų10190.6 Ų90.666%0.65643%0.427SS*.THydrogen-bonded Turntrans-68-16.7174.126.2-30000112.5
509H66.6Low71.2Confident33 Ų3393.1 Ų93.115%0.15344%0.442CS..THydrogen-bonded Turntrans-83.7-11.5-178.1-60.3-75.3000113.6S507 F511 Q512 M528 E535S507-H509 PolarHBondContact O-N 2.93Å; S507-H509 PolarHBondContact OG-N 3.38Å; H509-F511 VanDerWaalsContact C-N 3.33Å; H509-F511 PolarHBondContact O-N 2.79Å; H509-Q512 PolarHBondContact ND1-NE2 3.39Å; H509-Q512 VanDerWaalsContact ND1-NE2 3.16Å; H509-Q512 PolarHBondContact ND1-OE1 2.78Å; H509-Q512 VanDerWaalsContact ND1-OE1 3.16Å; H509-Q512 PolarHBondContact O-N 3.42Å; H509-M528 HydrophobicContact CB-CE 3.73Å; H509-M528 HydrophobicContact CB-SD 4.32Å; H509-E535 IonicContact CD2-OE1 2.7Å; H509-E535 IonicContact CD2-OE2 3.9Å; H509-E535 PolarHBondContact CD2-OE2 3.43Å; H509-E535 IonicContact CE1-OE1 3.38Å; H509-E535 PolarHBondContact CE1-OE1 3.36Å; H509-E535 IonicContact CE1-OE2 3.05Å; H509-E535 IonicContact ND1-OE1 3.33Å; H509-E535 IonicContact NE2-OE1 3.48Å; H509-E535 PolarHBondContact NE2-OE1 3.15Å; H509-E535 VanDerWaalsContact NE2-OE1 3.11Å; H509-E535 IonicContact NE2-OE2 3.11Å; H509-E535 PolarHBondContact NE2-OE2 3.13Å
510F73.1Confident70.9Confident42 Ų4295.5 Ų95.518%0.18446%0.459CS..THydrogen-bonded Turntrans-63.6-38.4-175.6-173.9-95.6000112.9L500 L503 S504 S507 Y524 M528L500-F510 HydrophobicContact CD1-CE2 3.49Å; L500-F510 VanDerWaalsContact CD1-CE2 3.49Å; L500-F510 HydrophobicContact CD1-CZ 3.94Å; L500-F510 HydrophobicContact CG-CE2 3.89Å; L500-F510 HydrophobicContact CG-CZ 4.03Å; L503-F510 HydrophobicContact CB-CD2 3.67Å; L503-F510 HydrophobicContact CB-CE2 4.25Å; L503-F510 HydrophobicContact CB-CG 4.48Å; S504-F510 VanDerWaalsContact CA-CG 3.5Å; S504-F510 VanDerWaalsContact CB-CE1 3.42Å; S507-F510 PolarHBondContact O-N 3.27Å; F510-Y524 HydrophobicContact CD2-CE1 4.39Å; F510-Y524 VanDerWaalsContact CD2-OH 3.29Å; F510-Y524 WeakPolarHBondContact CD2-OH 3.45Å; F510-Y524 HydrophobicContact CE2-CE1 4.07Å; F510-M528 HydrophobicContact CB-CE 4.29Å
511F68.7Low70.7Confident155 Ų15596.3 Ų96.368%0.6846%0.463SS*.THydrogen-bonded Turntrans-97.912.6-178.1-64.3-71.5000113.6S504 H509S504-F511 WeakPolarHBondContact O-CE2 3.43Å; H509-F511 VanDerWaalsContact C-N 3.33Å; H509-F511 PolarHBondContact O-N 2.79Å
512Q68.1Low70.3Confident93 Ų9389.2 Ų89.244%0.43544%0.439SS..SBendtrans-70130.4173.8-72-177.2-14.500109.3H509 T514H509-Q512 PolarHBondContact ND1-NE2 3.39Å; H509-Q512 VanDerWaalsContact ND1-NE2 3.16Å; H509-Q512 PolarHBondContact ND1-OE1 2.78Å; H509-Q512 VanDerWaalsContact ND1-OE1 3.16Å; H509-Q512 PolarHBondContact O-N 3.42Å; Q512-T514 VanDerWaalsContact C-N 3.32Å; Q512-T514 PolarHBondContact O-N 3.2Å; Q512-T514 PolarHBondContact O-OG1 2.79Å; Q512-T514 VanDerWaalsContact O-OG1 3.09Å
513P58.7Low70.1Confident128 Ų12891.9 Ų91.983%0.83145%0.453SS*.  trans-63.896.7177.724.2-30.2000108.3
514T59.5Low69.9Low53 Ų5393.4 Ų93.433%0.32546%0.459SS..  trans-91.4113.2178-420000106.2Q512 Q516 F518Q512-T514 VanDerWaalsContact C-N 3.32Å; Q512-T514 PolarHBondContact O-N 3.2Å; Q512-T514 PolarHBondContact O-OG1 2.79Å; Q512-T514 VanDerWaalsContact O-OG1 3.09Å; T514-Q516 HydrophobicContact CG2-CB 4.04Å; T514-Q516 HydrophobicContact CG2-CG 4.33Å; T514-Q516 PolarHBondContact O-N 3.34Å; T514-F518 HydrophobicContact CG2-CE2 4.2Å; T514-F518 HydrophobicContact CG2-CZ 4.18Å
515N58Low69.8Low172 Ų17291.7 Ų91.792%0.9245%0.447SS*.  trans-66.59.3176.7-79.4-21.6000113.7
516Q63.2Low69.7Low123 Ų12384.9 Ų84.958%0.57542%0.423SS*.  trans-95.9119.6178.2-68.7177-11.100110T514 F518T514-Q516 HydrophobicContact CG2-CB 4.04Å; T514-Q516 HydrophobicContact CG2-CG 4.33Å; T514-Q516 PolarHBondContact O-N 3.34Å; Q516-F518 HydrophobicContact CB-CE2 4.27Å; Q516-F518 HydrophobicContact CB-CZ 4.13Å; Q516-F518 WeakPolarHBondContact O-CD2 3.44Å; Q516-F518 WeakPolarHBondContact O-CE2 3.28Å; Q516-F518 PolarHBondContact O-N 3.32Å
517Q60.9Low69.6Low197 Ų19779.3 Ų79.392%0.92141%0.407SS*.  trans-76.4105.9168.1-71.1-1760.500109.3
518F64.8Low69.6Low67 Ų6779.2 Ų79.229%0.29441%0.405SS..  trans-74128.9172.9-60.6-81.1000109.9T514 Q516 Y524 S527T514-F518 HydrophobicContact CG2-CE2 4.2Å; T514-F518 HydrophobicContact CG2-CZ 4.18Å; Q516-F518 HydrophobicContact CB-CE2 4.27Å; Q516-F518 HydrophobicContact CB-CZ 4.13Å; Q516-F518 WeakPolarHBondContact O-CD2 3.44Å; Q516-F518 WeakPolarHBondContact O-CE2 3.28Å; Q516-F518 PolarHBondContact O-N 3.32Å; F518-Y524 HydrophobicContact CD1-CD2 4.11Å; F518-Y524 AromaticContact CD2-CD2 3.49Å; F518-Y524 HydrophobicContact CD2-CD2 3.49Å; F518-Y524 VanDerWaalsContact CD2-CD2 3.49Å; F518-Y524 HydrophobicContact CD2-CE2 4.25Å; F518-Y524 HydrophobicContact CD2-CG 4.33Å; F518-Y524 HydrophobicContact CE1-CD2 4.04Å; F518-Y524 AromaticContact CE2-CD2 3.43Å; F518-Y524 HydrophobicContact CE2-CD2 3.43Å; F518-Y524 VanDerWaalsContact CE2-CD2 3.43Å; F518-Y524 AromaticContact CE2-CE2 3.88Å; F518-Y524 HydrophobicContact CE2-CE2 3.88Å; F518-Y524 AromaticContact CG-CD2 3.84Å; F518-Y524 HydrophobicContact CG-CD2 3.84Å; F518-Y524 HydrophobicContact CG-CG 4.32Å; F518-Y524 AromaticContact CZ-CD2 3.71Å; F518-Y524 HydrophobicContact CZ-CD2 3.71Å; F518-Y524 HydrophobicContact CZ-CE2 4.26Å; F518-S527 WeakPolarHBondContact CE1-OG 3.33Å
519K62.5Low69.9Low205 Ų20574.5 Ų74.589%0.89138%0.375SS*.SBendtrans-78-32.6-179.8-67.2-179.2-178.1174.30112.2
520S76.5Confident70.3Confident50 Ų5076 Ų7635%0.3538%0.383SS..SBendtrans-139.6159177.280.90000112.6A522 D523 Y524S520-A522 PolarHBondContact O-N 3.38Å; S520-D523 WeakPolarHBondContact CB-OD2 3.42Å; S520-D523 PolarHBondContact N-OD2 3.26Å; S520-D523 PolarHBondContact O-N 3Å; S520-D523 PolarHBondContact OG-N 3.45Å; S520-D523 PolarHBondContact OG-OD2 3.06Å; S520-Y524 PolarHBondContact O-N 3.34Å
521L76.8Confident70.3Confident52 Ų5277.8 Ų77.827%0.27239%0.391SS..Hα-helixtrans-61.1-34.2175.8176.961.9000111.9W497 L500 Y524 L525W497-L521 HydrophobicContact CD2-CD2 4.41Å; L500-L521 HydrophobicContact CD1-CD1 3.83Å; L500-L521 HydrophobicContact CD2-CD1 4.28Å; L500-L521 HydrophobicContact CG-CD1 4.45Å; L521-Y524 PolarHBondContact O-N 3.45Å; L521-L525 HydrophobicContact CD1-CD1 4.03Å; L521-L525 HydrophobicContact CD1-CG 4.12Å; L521-L525 HydrophobicContact CG-CD1 3.93Å; L521-L525 HydrophobicContact CG-CG 4.43Å; L521-L525 WeakPolarHBondContact O-CB 3.34Å; L521-L525 VanDerWaalsContact O-CG 3.28Å; L521-L525 WeakPolarHBondContact O-CG 3.42Å; L521-L525 PolarHBondContact O-N 2.97Å
522A76Confident70.5Confident11 Ų1171.1 Ų71.19%0.09136%0.362CS..Hα-helixtrans-65.8-44.5178.500000110.9V490 S520 Y524 L525 E526V490-A522 HydrophobicContact CG1-CB 4.21Å; V490-A522 VanDerWaalsContact CG1-O 3.24Å; V490-A522 WeakPolarHBondContact CG1-O 3.25Å; S520-A522 PolarHBondContact O-N 3.38Å; A522-Y524 VanDerWaalsContact C-N 3.31Å; A522-Y524 PolarHBondContact O-N 3.03Å; A522-L525 PolarHBondContact O-N 2.8Å; A522-E526 WeakPolarHBondContact O-CG 3.39Å; A522-E526 PolarHBondContact O-N 3.17Å
523D77.2Confident70.6Confident70 Ų7068.9 Ų68.937%0.37436%0.36SS..Hα-helixtrans-61.9-40.3177.5-53.7-41000111.8S520 S527S520-D523 WeakPolarHBondContact CB-OD2 3.42Å; S520-D523 PolarHBondContact N-OD2 3.26Å; S520-D523 PolarHBondContact O-N 3Å; S520-D523 PolarHBondContact OG-N 3.45Å; S520-D523 PolarHBondContact OG-OD2 3.06Å; D523-S527 PolarHBondContact O-N 3.2Å; D523-S527 VanDerWaalsContact O-N 3.13Å
524Y78.4Confident71.1Confident32 Ų3268.8 Ų68.813%0.12535%0.346CS..Hα-helixtrans-61.6-49.2175.4174.9-108.1000111.4L500 F510 F518 S520 L521 A522 S527 M528L500-Y524 HydrophobicContact CD1-CD1 3.91Å; L500-Y524 HydrophobicContact CD1-CE1 3.64Å; F510-Y524 HydrophobicContact CD2-CE1 4.39Å; F510-Y524 VanDerWaalsContact CD2-OH 3.29Å; F510-Y524 WeakPolarHBondContact CD2-OH 3.45Å; F510-Y524 HydrophobicContact CE2-CE1 4.07Å; F518-Y524 HydrophobicContact CD1-CD2 4.11Å; F518-Y524 AromaticContact CD2-CD2 3.49Å; F518-Y524 HydrophobicContact CD2-CD2 3.49Å; F518-Y524 VanDerWaalsContact CD2-CD2 3.49Å; F518-Y524 HydrophobicContact CD2-CE2 4.25Å; F518-Y524 HydrophobicContact CD2-CG 4.33Å; F518-Y524 HydrophobicContact CE1-CD2 4.04Å; F518-Y524 AromaticContact CE2-CD2 3.43Å; F518-Y524 HydrophobicContact CE2-CD2 3.43Å; F518-Y524 VanDerWaalsContact CE2-CD2 3.43Å; F518-Y524 AromaticContact CE2-CE2 3.88Å; F518-Y524 HydrophobicContact CE2-CE2 3.88Å; F518-Y524 AromaticContact CG-CD2 3.84Å; F518-Y524 HydrophobicContact CG-CD2 3.84Å; F518-Y524 HydrophobicContact CG-CG 4.32Å; F518-Y524 AromaticContact CZ-CD2 3.71Å; F518-Y524 HydrophobicContact CZ-CD2 3.71Å; F518-Y524 HydrophobicContact CZ-CE2 4.26Å; S520-Y524 PolarHBondContact O-N 3.34Å; L521-Y524 PolarHBondContact O-N 3.45Å; A522-Y524 VanDerWaalsContact C-N 3.31Å; A522-Y524 PolarHBondContact O-N 3.03Å; Y524-S527 PolarHBondContact O-N 2.57Å; Y524-S527 PolarHBondContact O-OG 2.87Å; Y524-M528 WeakPolarHBondContact O-CB 3.45Å; Y524-M528 PolarHBondContact O-N 3.34Å
525L76.6Confident71.4Confident1 Ų171.4 Ų71.41%0.00536%0.355CS..Hα-helixtrans-67.4-37.5-178.4-72.6173.8000112.2V490 A499 L503 L521 A522 S527 M528 V529V490-L525 HydrophobicContact CG1-CB 3.37Å; V490-L525 HydrophobicContact CG1-CD1 4.23Å; V490-L525 HydrophobicContact CG1-CG 4.46Å; A499-L525 HydrophobicContact CB-CD1 4.16Å; A499-L525 HydrophobicContact CB-CD2 3.85Å; L503-L525 HydrophobicContact CD1-CD2 3.55Å; L521-L525 HydrophobicContact CD1-CD1 4.03Å; L521-L525 HydrophobicContact CD1-CG 4.12Å; L521-L525 HydrophobicContact CG-CD1 3.93Å; L521-L525 HydrophobicContact CG-CG 4.43Å; L521-L525 WeakPolarHBondContact O-CB 3.34Å; L521-L525 VanDerWaalsContact O-CG 3.28Å; L521-L525 WeakPolarHBondContact O-CG 3.42Å; L521-L525 PolarHBondContact O-N 2.97Å; A522-L525 PolarHBondContact O-N 2.8Å; L525-S527 VanDerWaalsContact C-N 3.35Å; L525-S527 PolarHBondContact O-N 3Å; L525-M528 PolarHBondContact O-N 3.36Å; L525-V529 WeakPolarHBondContact O-CB 3.29Å; L525-V529 WeakPolarHBondContact O-CG2 3.36Å; L525-V529 PolarHBondContact O-N 3.25Å
526E76.8Confident71.6Confident47 Ų4766.3 Ų66.322%0.2233%0.327CS..Hα-helixtrans-60.5-44.8172.6-74.4-167.2159.700111K488 V490 H491 A522 M528 V529 I530K488-E526 WeakPolarHBondContact CD-OE1 3.36Å; K488-E526 IonicContact NZ-OE1 2.89Å; K488-E526 PolarHBondContact NZ-OE1 3.25Å; V490-E526 HydrophobicContact CB-CG 4.32Å; V490-E526 HydrophobicContact CG1-CG 3.87Å; H491-E526 IonicContact CE1-OE1 3.59Å; A522-E526 WeakPolarHBondContact O-CG 3.39Å; A522-E526 PolarHBondContact O-N 3.17Å; E526-M528 VanDerWaalsContact C-N 3.28Å; E526-M528 PolarHBondContact O-N 2.92Å; E526-V529 PolarHBondContact O-N 3.4Å; E526-I530 WeakPolarHBondContact O-CD1 3.29Å; E526-I530 VanDerWaalsContact O-CG1 3.27Å; E526-I530 WeakPolarHBondContact O-CG1 2.98Å; E526-I530 PolarHBondContact O-N 3.39Å
527S74.7Confident70.8Confident27 Ų2765.1 Ų65.119%0.18933%0.33CS..Hα-helixtrans-62.4-36.2176.482.30000112.8F518 D523 Y524 L525 K531F518-S527 WeakPolarHBondContact CE1-OG 3.33Å; D523-S527 PolarHBondContact O-N 3.2Å; D523-S527 VanDerWaalsContact O-N 3.13Å; Y524-S527 PolarHBondContact O-N 2.57Å; Y524-S527 PolarHBondContact O-OG 2.87Å; L525-S527 VanDerWaalsContact C-N 3.35Å; L525-S527 PolarHBondContact O-N 3Å; S527-K531 WeakPolarHBondContact O-CG 3.13Å; S527-K531 PolarHBondContact O-N 3.01Å; S527-K531 VanDerWaalsContact O-N 3.15Å
528M73.9Confident70.2Confident5 Ų565.3 Ų65.33%0.02533%0.328CS..Hα-helixtrans-76.5-37.7-178.8-164.365.4153.100111.8L503 S507 H509 F510 Y524 L525 E526 I530 K531 L532L503-M528 HydrophobicContact CD1-CB 4.45Å; L503-M528 HydrophobicContact CD1-CG 3.87Å; L503-M528 HydrophobicContact CD2-CE 4.21Å; L503-M528 HydrophobicContact CD2-CG 3.91Å; S507-M528 WeakPolarHBondContact OG-CE 3.49Å; H509-M528 HydrophobicContact CB-CE 3.73Å; H509-M528 HydrophobicContact CB-SD 4.32Å; F510-M528 HydrophobicContact CB-CE 4.29Å; Y524-M528 WeakPolarHBondContact O-CB 3.45Å; Y524-M528 PolarHBondContact O-N 3.34Å; L525-M528 PolarHBondContact O-N 3.36Å; E526-M528 VanDerWaalsContact C-N 3.28Å; E526-M528 PolarHBondContact O-N 2.92Å; M528-I530 VanDerWaalsContact C-N 3.32Å; M528-K531 PolarHBondContact O-N 3.33Å; M528-L532 WeakPolarHBondContact O-CB 3.38Å; M528-L532 WeakPolarHBondContact O-CG 3.24Å; M528-L532 PolarHBondContact O-N 3.24Å
529V76.7Confident69.1Low1 Ų169.2 Ų69.21%0.00635%0.352CS..Hα-helixtrans-61-42.3172.61670000110.2F470 A473 I474 A477 L525 E526 K531 L532 A533F470-V529 HydrophobicContact CD1-CG2 3.75Å; F470-V529 HydrophobicContact CE1-CG2 4.1Å; A473-V529 HydrophobicContact CB-CG2 4.15Å; I474-V529 HydrophobicContact CB-CG1 4.38Å; I474-V529 HydrophobicContact CG1-CG1 3.72Å; A477-V529 HydrophobicContact CB-CG1 4.06Å; L525-V529 WeakPolarHBondContact O-CB 3.29Å; L525-V529 WeakPolarHBondContact O-CG2 3.36Å; L525-V529 PolarHBondContact O-N 3.25Å; E526-V529 PolarHBondContact O-N 3.4Å; V529-K531 PolarHBondContact O-N 3.19Å; V529-L532 PolarHBondContact O-N 2.89Å; V529-A533 VanDerWaalsContact O-CB 3.3Å; V529-A533 WeakPolarHBondContact O-CB 2.96Å; V529-A533 PolarHBondContact O-N 3.01Å
530I75Confident67.7Low66 Ų6666.8 Ų66.834%0.33835%0.348SS..Hα-helixtrans-64-39.4175.5-66.6163.5000111.7E526 M528 K534E526-I530 WeakPolarHBondContact O-CD1 3.29Å; E526-I530 VanDerWaalsContact O-CG1 3.27Å; E526-I530 WeakPolarHBondContact O-CG1 2.98Å; E526-I530 PolarHBondContact O-N 3.39Å; M528-I530 VanDerWaalsContact C-N 3.32Å; I530-K534 WeakPolarHBondContact O-CG 3.06Å; I530-K534 PolarHBondContact O-N 3.06Å
531K73.6Confident65.6Low78 Ų7870.1 Ų70.134%0.33937%0.368SS..Hα-helixtrans-67.4-44.6176-73.8176.7-178.2178.50111.7S527 M528 V529 A533 K534 E535S527-K531 WeakPolarHBondContact O-CG 3.13Å; S527-K531 PolarHBondContact O-N 3.01Å; S527-K531 VanDerWaalsContact O-N 3.15Å; M528-K531 PolarHBondContact O-N 3.33Å; V529-K531 PolarHBondContact O-N 3.19Å; K531-A533 VanDerWaalsContact C-N 3.35Å; K531-A533 PolarHBondContact O-N 3.37Å; K531-K534 WeakPolarHBondContact O-CB 3.47Å; K531-K534 PolarHBondContact O-N 3.11Å; K531-K534 VanDerWaalsContact O-N 3.12Å; K531-E535 PolarHBondContact O-N 3.47Å
532L73.6Confident63.6Low15 Ų1572.2 Ų72.28%0.07939%0.387CS..Hα-helixtrans-61.8-41.6175.7-75.4173.8000112F470 L503 M528 V529 K534 E535 L536F470-L532 HydrophobicContact CD2-CD1 4.22Å; F470-L532 HydrophobicContact CE2-CD1 4.43Å; F470-L532 HydrophobicContact CG-CD1 4.46Å; L503-L532 HydrophobicContact CD2-CD1 3.59Å; M528-L532 WeakPolarHBondContact O-CB 3.38Å; M528-L532 WeakPolarHBondContact O-CG 3.24Å; M528-L532 PolarHBondContact O-N 3.24Å; V529-L532 PolarHBondContact O-N 2.89Å; L532-K534 PolarHBondContact O-N 3.08Å; L532-E535 PolarHBondContact O-N 2.93Å; L532-E535 VanDerWaalsContact O-N 3.13Å; L532-L536 WeakPolarHBondContact O-CD1 3.5Å; L532-L536 PolarHBondContact O-N 2.85Å; L532-L536 VanDerWaalsContact O-N 3.09Å
533A69.7Low61.6Low47 Ų4780.5 Ų80.539%0.38842%0.424SS..Hα-helixtrans-61.9-27175.500000112.9I474 V529 K531I474-A533 HydrophobicContact CG1-CB 4.44Å; I474-A533 HydrophobicContact CG2-CB 4Å; V529-A533 VanDerWaalsContact O-CB 3.3Å; V529-A533 WeakPolarHBondContact O-CB 2.96Å; V529-A533 PolarHBondContact O-N 3.01Å; K531-A533 VanDerWaalsContact C-N 3.35Å; K531-A533 PolarHBondContact O-N 3.37Å
534K69.6Low59.6Low125 Ų12585.8 Ų85.854%0.54345%0.446SS..Hα-helixtrans-80.8-24.9175.4-74.4178.2179.6-177.40113.9I530 K531 L532I530-K534 WeakPolarHBondContact O-CG 3.06Å; I530-K534 PolarHBondContact O-N 3.06Å; K531-K534 WeakPolarHBondContact O-CB 3.47Å; K531-K534 PolarHBondContact O-N 3.11Å; K531-K534 VanDerWaalsContact O-N 3.12Å; L532-K534 PolarHBondContact O-N 3.08Å
535E65Low57.6Low108 Ų10888.6 Ų88.651%0.50546%0.463SS..Hα-helixtrans-98.2-14.1-176-73.4-176.516300114.2H509 K531 L532H509-E535 IonicContact CD2-OE1 2.7Å; H509-E535 IonicContact CD2-OE2 3.9Å; H509-E535 PolarHBondContact CD2-OE2 3.43Å; H509-E535 IonicContact CE1-OE1 3.38Å; H509-E535 PolarHBondContact CE1-OE1 3.36Å; H509-E535 IonicContact CE1-OE2 3.05Å; H509-E535 IonicContact ND1-OE1 3.33Å; H509-E535 IonicContact NE2-OE1 3.48Å; H509-E535 PolarHBondContact NE2-OE1 3.15Å; H509-E535 VanDerWaalsContact NE2-OE1 3.11Å; H509-E535 IonicContact NE2-OE2 3.11Å; H509-E535 PolarHBondContact NE2-OE2 3.13Å; K531-E535 PolarHBondContact O-N 3.47Å; L532-E535 PolarHBondContact O-N 2.93Å; L532-E535 VanDerWaalsContact O-N 3.13Å
536L61.5Low55.5Low65 Ų6597.6 Ų97.634%0.3450%0.502SS..SBendtrans-60.9136.2170.7-109.482.1000110.4E467 L532 K538E467-L536 HydrophobicContact CG-CD1 4.1Å; E467-L536 HydrophobicContact CG-CD2 4.07Å; E467-L536 HydrophobicContact CG-CG 4.18Å; L532-L536 WeakPolarHBondContact O-CD1 3.5Å; L532-L536 PolarHBondContact O-N 2.85Å; L532-L536 VanDerWaalsContact O-N 3.09Å; L536-K538 PolarHBondContact O-N 2.98Å
537P46.8Very low53.5Low98 Ų98100.3 Ų100.364%0.63652%0.522SS*.  trans-53.2126.8166.5-20.831.3000109.7D539P537-D539 VanDerWaalsContact C-N 3.28Å; P537-D539 PolarHBondContact O-N 3.15Å
538K49.3Very low51.3Low202 Ų202102.9 Ų102.988%0.87855%0.552SS**SBendtrans-63.784.4177.4-72.2-178.7177.1-178.90110.8L536L536-K538 PolarHBondContact O-N 2.98Å
539D40.8Very low49.2Very low148 Ų148111 Ų11179%0.79159%0.59SS**  trans-135.354.8164.7-83.2-38.6000109.9P537P537-D539 VanDerWaalsContact C-N 3.28Å; P537-D539 PolarHBondContact O-N 3.15Å
540L33.9Very low46.9Very low154 Ų154120.1 Ų120.181%0.80663%0.633SS**SBendtrans-166.3139.8146.4-92.5141.2000107.9S542L540-S542 PolarHBondContact O-N 3.2Å
541P32.5Very low44.6Very low121 Ų121124.3 Ų124.379%0.78666%0.656SS**  trans-86.4115.1-166.632.7-30.3000111.4
542S33.3Very low42.5Very low95 Ų95127.7 Ų127.766%0.66468%0.678SS**  trans-152.7141.1158.4-26.20000110L540L540-S542 PolarHBondContact O-N 3.2Å
543E34.8Very low40.4Very low186 Ų186135.6 Ų135.687%0.86972%0.715SS**  trans-78.1161.2-158.3-66.5179.5141.600114.7
544E34.4Very low38.4Very low180 Ų180140.2 Ų140.284%0.84173%0.732SS**  trans-40.6121.1-175.1-61.4173.8162.200116.9
545I38.1Very low36.3Very low91 Ų91141.5 Ų141.547%0.46775%0.745SS.*  trans-92.9102.8156.9-58.7174.9000108.7
546K31.3Very low34.4Very low191 Ų191141 Ų14183%0.8375%0.754SS**  trans-62.8131.2176.4-117.3171.8-179.6169.10112
547T34.3Very low32.7Very low103 Ų103144.6 Ų144.663%0.63277%0.774SS**  trans-77.7151.9175.241.70000112.8
548G29.6Very low31.8Very low81 Ų81145.7 Ų145.784%0.83578%0.779SS**  trans-122.1121.4156.800000108.4
549E28.6Very low30.8Very low175 Ų175144 Ų14482%0.81878%0.778SS**  trans-74.1152.5-174.1-63.4161.3155.700112.1
550E28.7Very low30.2Very low193 Ų193144.8 Ų144.890%0.90278%0.781SS**  trans-159.9143.1133.6-108.8173.3-15400111.1
551D27.8Very low30Very low154 Ų154146 Ų14682%0.82478%0.78SS**  trans-75165.8-150.5-69.8-55.3000119.1
552D28.9Very low29.8Very low150 Ų150148.1 Ų148.180%0.80278%0.78SS**  trans-56.7153.5167.5-69.2-56.6000114.9
553E28.7Very low29.5Very low181 Ų181148.7 Ų148.785%0.84678%0.784SS**  172.9130.3114.7-93.5179.8-179.500113.7
554D28.1Very low29.2Very low143 Ų143147.8 Ų147.877%0.76579%0.785SS**  trans62.8102142.6-75.4-15.5000124.4
555N25.5Very low28.8Very low152 Ų152145.8 Ų145.881%0.81378%0.78SS**  85.2135.8106.8-141.87.6000122.2
556S24.6Very low28.3Very low98 Ų98146.5 Ų146.569%0.68579%0.793SS**  trans85.686.9156.2-1560000119
557D27.8Very low28.6Very low141 Ų141143.3 Ų143.375%0.75479%0.792SS**  44.8103.1109.9-153.118.2000116.6
558T26.5Very low28.3Very low121 Ų121143.6 Ų143.674%0.74280%0.798SS**  175.7142.812428.20000112
559L27.9Very low28.4Very low166 Ų166149 Ų14987%0.86980%0.804SS**  trans85.879.2157.1-66.2152.4000117.6
560L28Very low29Very low164 Ų164146.5 Ų146.586%0.85979%0.792SS**  trans-60.3151.7149.1-73.5162.4000112.2
561K30.4Very low29.8Very low179 Ų179142.7 Ų142.778%0.77878%0.778SS**  trans90.2128.1165.1-61.2-176.8170.1-1610114.5
562E28.2Very low31.3Very low166 Ų166139.4 Ų139.478%0.77676%0.756SS**  cis-163.3145.911.5-110.2159.4-15300106.4
563S26.4Very low33.1Very low108 Ų108136.9 Ų136.976%0.75574%0.742SS**  trans-154.8113.8158.153.90000108.3
564N29.2Very low35.1Very low167 Ų167128.4 Ų128.489%0.89370%0.703SS**  -165114.3120.6-109.3-8.3000110.7
565D26.9Very low37.4Very low138 Ų138123.9 Ų123.974%0.73868%0.683SS**  trans-108.7157.6163.9-151.4-6.1000108.4
566S26.6Very low39.7Very low105 Ų105121.8 Ų121.873%0.73467%0.672SS**  trans109.1147.1163.7-48.30000117.7
567P38.8Very low42.2Very low124 Ų124124.4 Ų124.481%0.80567%0.673SS**  cis-137129.6-41.734.1-16.9000111.3
568S26.4Very low44.5Very low110 Ų110119 Ų11977%0.76964%0.643SS**SBendtrans-139.8139.1162.150.40000108Q570S568-Q570 PolarHBondContact O-N 3.46Å
569M33.1Very low46.9Very low193 Ų193113.3 Ų113.395%0.95161%0.608SS**  trans-44.2117.3-171.2-69-141.5-62.300111.7N571M569-N571 PolarHBondContact O-N 3.01Å
570Q40.8Very low49.3Very low123 Ų123108.5 Ų108.558%0.57558%0.583SS**  trans-71.795.1-167.2-75.7171.9-19.600111.2S568 K572S568-Q570 PolarHBondContact O-N 3.46Å; Q570-K572 HydrophobicContact CB-CG 4.21Å; Q570-K572 HydrophobicContact CG-CG 4.31Å; Q570-K572 PolarHBondContact O-N 2.85Å
571N45.1Very low51.8Low113 Ų113105.5 Ų105.560%0.60457%0.565SS**  trans-86.377.4143.5-77.2-9.9000106.4M569 L573 T634M569-N571 PolarHBondContact O-N 3.01Å; N571-L573 PolarHBondContact O-N 3.29Å; N571-L573 VanDerWaalsContact O-N 3.09Å; N571-T634 HydrophobicContact CB-CG2 3.96Å
572K59.8Low54.1Low85 Ų8597 Ų9737%0.3753%0.528SS..  trans-60.6115.1172.9-84.5179.8178.3178.90107Q570 V635 T657Q570-K572 HydrophobicContact CB-CG 4.21Å; Q570-K572 HydrophobicContact CG-CG 4.31Å; Q570-K572 PolarHBondContact O-N 2.85Å; K572-V635 HydrophobicContact CB-CG2 4.03Å; K572-V635 WeakPolarHBondContact O-CG2 3.48Å; K572-V635 PolarHBondContact O-N 3.01Å; K572-T657 PolarHBondContact NZ-O 2.99Å; K572-T657 PolarHBondContact NZ-OXT 3.35Å
573L65.4Low56.7Low97 Ų9789.2 Ų89.251%0.50849%0.492SS..BIsolated β-bridgetrans-68.1144.2167.7-70.3167.4000108.2N571 S575N571-L573 PolarHBondContact O-N 3.29Å; N571-L573 VanDerWaalsContact O-N 3.09Å; L573-S575 PolarHBondContact O-N 2.9Å
574V71.9Confident59.3Low3 Ų387.1 Ų87.12%0.01848%0.481CS..PPolyproline II helixtrans-64.3120177-172.90000108.9Q578 M579 W625 Q626 A633 V635 L638V574-Q578 HydrophobicContact CG1-CB 4.18Å; V574-M579 HydrophobicContact CG1-CG 3.61Å; V574-W625 HydrophobicContact CG2-CH2 4.13Å; V574-W625 HydrophobicContact CG2-CZ3 3.93Å; V574-Q626 PolarHBondContact O-NE2 3.46Å; V574-Q626 VanDerWaalsContact O-NE2 3.07Å; V574-A633 PolarHBondContact N-O 3.21Å; V574-V635 HydrophobicContact CG2-CG2 4.03Å; V574-L638 HydrophobicContact CB-CD2 4.49Å; V574-L638 HydrophobicContact CG1-CD2 3.88Å; V574-L638 HydrophobicContact CG2-CB 4.22Å; V574-L638 HydrophobicContact CG2-CD2 3.85Å
575S77.1Confident61.7Low49 Ų4985.2 Ų85.234%0.34347%0.465SS..PPolyproline II helixtrans-76.3155.6179680000111.8L573 Q577 Q578 M579L573-S575 PolarHBondContact O-N 2.9Å; S575-Q577 PolarHBondContact O-N 3.36Å; S575-Q578 PolarHBondContact O-N 3.47Å; S575-Q578 VanDerWaalsContact O-N 3.14Å; S575-Q578 WeakPolarHBondContact OG-CB 3.48Å; S575-Q578 VanDerWaalsContact OG-CD 3.28Å; S575-Q578 VanDerWaalsContact OG-CG 3.25Å; S575-Q578 WeakPolarHBondContact OG-CG 3.43Å; S575-Q578 PolarHBondContact OG-N 3.49Å; S575-Q578 PolarHBondContact OG-OE1 3.01Å; S575-M579 PolarHBondContact O-N 3.28Å
576N73.6Confident64.1Low108 Ų10878.8 Ų78.858%0.57843%0.431SS*.Hα-helixtrans-59.1-32.5176.4-71.6-33.6000113M579 D580N576-M579 HydrophobicContact CB-CE 4.39Å; N576-M579 PolarHBondContact O-N 3.26Å; N576-M579 WeakPolarHBondContact OD1-CE 3.38Å; N576-D580 VanDerWaalsContact O-CG 3.3Å; N576-D580 PolarHBondContact O-N 2.8Å; N576-D580 VanDerWaalsContact O-N 3.1Å
577Q75.9Confident66.4Low152 Ų15274.4 Ų74.471%0.7140%0.402SS*.Hα-helixtrans-68.9-42.1176.5-71.2177.3-600111.6S575 M579 D580 E581S575-Q577 PolarHBondContact O-N 3.36Å; Q577-M579 VanDerWaalsContact C-N 3.32Å; Q577-M579 PolarHBondContact O-N 3.44Å; Q577-D580 PolarHBondContact O-N 2.93Å; Q577-E581 WeakPolarHBondContact O-CG 3.4Å; Q577-E581 PolarHBondContact O-N 2.69Å
578Q76.6Confident68.1Low27 Ų2772.3 Ų72.313%0.12640%0.395CS..Hα-helixtrans-65.2-35.8175-72.4165.8-40.500112V574 S575 D580 E581 I582 L654 T657V574-Q578 HydrophobicContact CG1-CB 4.18Å; S575-Q578 PolarHBondContact O-N 3.47Å; S575-Q578 VanDerWaalsContact O-N 3.14Å; S575-Q578 WeakPolarHBondContact OG-CB 3.48Å; S575-Q578 VanDerWaalsContact OG-CD 3.28Å; S575-Q578 VanDerWaalsContact OG-CG 3.25Å; S575-Q578 WeakPolarHBondContact OG-CG 3.43Å; S575-Q578 PolarHBondContact OG-N 3.49Å; S575-Q578 PolarHBondContact OG-OE1 3.01Å; Q578-D580 VanDerWaalsContact C-N 3.35Å; Q578-E581 PolarHBondContact O-N 3.46Å; Q578-I582 WeakPolarHBondContact O-CB 3.46Å; Q578-I582 WeakPolarHBondContact O-CD1 3.43Å; Q578-I582 WeakPolarHBondContact O-CG1 3.49Å; Q578-I582 PolarHBondContact O-N 3.32Å; Q578-L654 HydrophobicContact CB-CD2 4.04Å; Q578-L654 HydrophobicContact CG-CD2 4.26Å; Q578-T657 PolarHBondContact NE2-OG1 3.29Å
579M76.7Confident70.5Confident2 Ų272.1 Ų72.11%0.0138%0.382CS..Hα-helixtrans-65-38.8173.9-68.8-168.1-73.100112.2V574 S575 N576 Q577 I582 A583 L622V574-M579 HydrophobicContact CG1-CG 3.61Å; S575-M579 PolarHBondContact O-N 3.28Å; N576-M579 HydrophobicContact CB-CE 4.39Å; N576-M579 PolarHBondContact O-N 3.26Å; N576-M579 WeakPolarHBondContact OD1-CE 3.38Å; Q577-M579 VanDerWaalsContact C-N 3.32Å; Q577-M579 PolarHBondContact O-N 3.44Å; M579-I582 PolarHBondContact O-N 3.46Å; M579-A583 WeakPolarHBondContact O-CB 3.34Å; M579-A583 PolarHBondContact O-N 3.28Å; M579-L622 HydrophobicContact CB-CB 4.4Å; M579-L622 HydrophobicContact CB-CD1 4.09Å; M579-L622 HydrophobicContact CG-CB 4.16Å; M579-L622 HydrophobicContact CG-CD1 4.33Å; M579-L622 WeakPolarHBondContact O-CD1 3.41Å; M579-L622 HydrophobicContact SD-CB 3.86Å
580D78.2Confident72.9Confident65 Ų6563 Ų6335%0.34834%0.337SS..Hα-helixtrans-67.3-40.2178.1-72.8-14.7000111.9N576 Q577 Q578 A583 A584 K619N576-D580 VanDerWaalsContact O-CG 3.3Å; N576-D580 PolarHBondContact O-N 2.8Å; N576-D580 VanDerWaalsContact O-N 3.1Å; Q577-D580 PolarHBondContact O-N 2.93Å; Q578-D580 VanDerWaalsContact C-N 3.35Å; D580-A583 PolarHBondContact O-N 3.1Å; D580-A584 WeakPolarHBondContact O-CB 3.17Å; D580-A584 PolarHBondContact O-N 3.13Å; D580-K619 VanDerWaalsContact CG-NZ 3.29Å; D580-K619 WeakPolarHBondContact OD1-CD 3.45Å; D580-K619 WeakPolarHBondContact OD1-CE 3.19Å; D580-K619 IonicContact OD1-NZ 2.94Å; D580-K619 PolarHBondContact OD1-NZ 2.82Å; D580-K619 IonicContact OD2-NZ 3.86Å; D580-K619 PolarHBondContact OD2-NZ 2.74Å; D580-K619 VanDerWaalsContact OD2-NZ 3.15Å
581E80Confident74.8Confident101 Ų10162.1 Ų62.147%0.47233%0.331SS..Hα-helixtrans-68.6-36.9176.4-71.5-178.1-173.600113Q577 Q578 K585Q577-E581 WeakPolarHBondContact O-CG 3.4Å; Q577-E581 PolarHBondContact O-N 2.69Å; Q578-E581 PolarHBondContact O-N 3.46Å; E581-K585 PolarHBondContact O-N 2.92Å
582I80.1Confident76.5Confident0 Ų060.3 Ų60.30%032%0.324CS..Hα-helixtrans-70-46.3174.4-67.8165.6000109.9Q578 M579 A584 K585 L586 L622 L638 L642 I650 L654Q578-I582 WeakPolarHBondContact O-CB 3.46Å; Q578-I582 WeakPolarHBondContact O-CD1 3.43Å; Q578-I582 WeakPolarHBondContact O-CG1 3.49Å; Q578-I582 PolarHBondContact O-N 3.32Å; M579-I582 PolarHBondContact O-N 3.46Å; I582-A584 VanDerWaalsContact C-N 3.28Å; I582-A584 PolarHBondContact O-N 3.02Å; I582-K585 CarbonylContact O-C 3.24Å; I582-K585 PolarHBondContact O-N 3.11Å; I582-L586 WeakPolarHBondContact O-CB 3.33Å; I582-L586 PolarHBondContact O-N 2.96Å; I582-L622 HydrophobicContact CB-CD1 4.08Å; I582-L622 HydrophobicContact CG2-CD1 3.89Å; I582-L638 HydrophobicContact CD1-CD2 3.74Å; I582-L642 HydrophobicContact CD1-CD1 4.4Å; I582-I650 HydrophobicContact CG1-CG2 4.29Å; I582-I650 HydrophobicContact CG2-CG2 4.06Å; I582-L654 HydrophobicContact CD1-CD1 3.65Å; I582-L654 HydrophobicContact CD1-CD2 3.74Å; I582-L654 HydrophobicContact CD1-CG 3.74Å
583A82.1Confident77.5Confident4 Ų456.2 Ų56.23%0.03331%0.307CS..Hα-helixtrans-55.7-45.417900000111.3M579 D580 K585 L586 G587 A618 K619M579-A583 WeakPolarHBondContact O-CB 3.34Å; M579-A583 PolarHBondContact O-N 3.28Å; D580-A583 PolarHBondContact O-N 3.1Å; A583-K585 VanDerWaalsContact C-N 3.26Å; A583-K585 PolarHBondContact O-N 3.33Å; A583-L586 PolarHBondContact O-N 3.37Å; A583-G587 PolarHBondContact O-N 3.23Å; A583-G587 VanDerWaalsContact O-N 3.14Å; A583-A618 HydrophobicContact CB-CB 3.97Å; A583-K619 HydrophobicContact CB-CB 3.96Å
584A81.3Confident78.2Confident63 Ų6351.6 Ų51.652%0.52128%0.283SS..Hα-helixtrans-63.7-25.6177.600000114.3D580 I582D580-A584 WeakPolarHBondContact O-CB 3.17Å; D580-A584 PolarHBondContact O-N 3.13Å; I582-A584 VanDerWaalsContact C-N 3.28Å; I582-A584 PolarHBondContact O-N 3.02Å
585K79.3Confident78.5Confident128 Ų12854 Ų5456%0.55731%0.308SS*.Hα-helixtrans-97.2-24.9177.6-75.1-177.7-178.5179.90113.7E581 I582 A583 I650 I653E581-K585 PolarHBondContact O-N 2.92Å; I582-K585 CarbonylContact O-C 3.24Å; I582-K585 PolarHBondContact O-N 3.11Å; A583-K585 VanDerWaalsContact C-N 3.26Å; A583-K585 PolarHBondContact O-N 3.33Å; K585-I650 HydrophobicContact CB-CD1 4.19Å; K585-I650 HydrophobicContact CB-CG1 4.36Å; K585-I653 HydrophobicContact CD-CD1 3.27Å
586L77.4Confident78.6Confident2 Ų256.6 Ų56.61%0.0131%0.314CS..Hα-helixtrans-75.2-38.4179.7-160.675.8000110.6I582 A583 A588 Q589 W590 L593 A618 L642 F647 I650I582-L586 WeakPolarHBondContact O-CB 3.33Å; I582-L586 PolarHBondContact O-N 2.96Å; A583-L586 PolarHBondContact O-N 3.37Å; L586-A588 PolarHBondContact O-N 3.45Å; L586-Q589 PolarHBondContact O-N 3.04Å; L586-W590 HydrophobicContact CD2-CB 3.71Å; L586-W590 HydrophobicContact CG-CB 4.28Å; L586-L593 HydrophobicContact CD1-CB 4.41Å; L586-L593 HydrophobicContact CD1-CD2 4.04Å; L586-L593 HydrophobicContact CD2-CB 4.22Å; L586-L593 HydrophobicContact CD2-CD2 3.56Å; L586-L593 HydrophobicContact CG-CD2 4.48Å; L586-A618 HydrophobicContact CB-CB 4.4Å; L586-A618 HydrophobicContact CD2-CB 4.24Å; L586-L642 HydrophobicContact CD1-CD2 4.06Å; L586-F647 HydrophobicContact CD1-CD2 4.16Å; L586-F647 HydrophobicContact CD1-CE2 4.32Å; L586-I650 HydrophobicContact CD1-CD1 4.26Å
587G74.6Confident78.8Confident13 Ų1352.1 Ų52.113%0.13429%0.29CS..G310 helixtrans43.7-131.7174.900000112.4A583 Q589 W590 V614A583-G587 PolarHBondContact O-N 3.23Å; A583-G587 VanDerWaalsContact O-N 3.14Å; G587-Q589 PolarHBondContact O-N 3.28Å; G587-W590 VanDerWaalsContact O-CD1 3.26Å; G587-W590 PolarHBondContact O-N 3.28Å; G587-V614 WeakPolarHBondContact O-CG1 3.39Å
588A74.4Confident78.8Confident80 Ų8051.8 Ų51.866%0.66129%0.289SS*.G310 helixtrans-66.3-7.4-174.200000115L586 V614L586-A588 PolarHBondContact O-N 3.45Å; A588-V614 HydrophobicContact CB-CG1 3.91Å
589Q77.8Confident79Confident107 Ų10751.1 Ų51.150%0.529%0.286SS..G310 helixtrans-95.29.3-177.1-52.2-169.4-73.100113.1L586 G587 K591 T592 F647L586-Q589 PolarHBondContact O-N 3.04Å; G587-Q589 PolarHBondContact O-N 3.28Å; Q589-K591 PolarHBondContact O-N 3.49Å; Q589-K591 VanDerWaalsContact O-N 3.15Å; Q589-T592 WeakPolarHBondContact O-CB 3.31Å; Q589-T592 PolarHBondContact O-N 3.2Å; Q589-T592 VanDerWaalsContact O-N 3.08Å; Q589-F647 HydrophobicContact CB-CE1 4.18Å; Q589-F647 HydrophobicContact CB-CE2 4.47Å; Q589-F647 HydrophobicContact CB-CZ 3.65Å; Q589-F647 HydrophobicContact CG-CZ 4.42Å; Q589-F647 VanDerWaalsContact OE1-CE1 3.25Å
590W82Confident79.2Confident1 Ų157.5 Ų57.50%0.00431%0.314CS..Hα-helixtrans-57.1-29.4178.470.8-103.2000113.8L586 G587 T592 L593 A594 I604 I607 E608 Q617 A618 L621L586-W590 HydrophobicContact CD2-CB 3.71Å; L586-W590 HydrophobicContact CG-CB 4.28Å; G587-W590 VanDerWaalsContact O-CD1 3.26Å; G587-W590 PolarHBondContact O-N 3.28Å; W590-T592 VanDerWaalsContact C-N 3.3Å; W590-T592 PolarHBondContact O-N 3.42Å; W590-L593 PolarHBondContact O-N 3.2Å; W590-A594 HydrophobicContact CE3-CB 4.38Å; W590-A594 HydrophobicContact CZ3-CB 4.5Å; W590-A594 PolarHBondContact O-N 3.28Å; W590-I604 HydrophobicContact CH2-CG2 3.87Å; W590-I604 HydrophobicContact CZ3-CG2 3.93Å; W590-I607 HydrophobicContact CH2-CB 4.28Å; W590-I607 HydrophobicContact CH2-CG2 3.95Å; W590-I607 HydrophobicContact CZ2-CG2 4.39Å; W590-I607 HydrophobicContact CZ3-CG2 4.29Å; W590-E608 HydrophobicContact CH2-CG 3.95Å; W590-E608 HydrophobicContact CZ2-CG 3.86Å; W590-Q617 HydrophobicContact CD2-CB 4.41Å; W590-Q617 HydrophobicContact CZ2-CB 3.98Å; W590-Q617 HydrophobicContact CZ2-CG 4.33Å; W590-A618 HydrophobicContact CB-CB 3.87Å; W590-A618 HydrophobicContact CG-CB 4.44Å; W590-L621 HydrophobicContact CB-CD2 4.33Å; W590-L621 HydrophobicContact CE3-CB 4.36Å; W590-L621 HydrophobicContact CE3-CD1 4Å; W590-L621 HydrophobicContact CE3-CD2 4.09Å; W590-L621 HydrophobicContact CE3-CG 4.38Å; W590-L621 HydrophobicContact CZ3-CD1 4.06Å; W590-L621 WeakPolarHBondContact O-CD2 3.48Å
591K80.9Confident79.1Confident104 Ų10457.5 Ų57.545%0.45232%0.323SS..Hα-helixtrans-65.8-31.3177.9-57.8-174.8-168.6-174.10113.3Q589 L593 A594 G595 E608Q589-K591 PolarHBondContact O-N 3.49Å; Q589-K591 VanDerWaalsContact O-N 3.15Å; K591-L593 VanDerWaalsContact C-N 3.33Å; K591-A594 PolarHBondContact O-N 3.39Å; K591-G595 PolarHBondContact O-N 2.85Å; K591-E608 WeakPolarHBondContact CE-OE1 3.28Å; K591-E608 IonicContact NZ-OE1 3.7Å; K591-E608 PolarHBondContact NZ-OE1 2.92Å
592T80.7Confident79.1Confident75 Ų7556 Ų5646%0.4633%0.328SS..Hα-helixtrans-70.3-35.8176.7-52.10000110.7Q589 W590 F647Q589-T592 WeakPolarHBondContact O-CB 3.31Å; Q589-T592 PolarHBondContact O-N 3.2Å; Q589-T592 VanDerWaalsContact O-N 3.08Å; W590-T592 VanDerWaalsContact C-N 3.3Å; W590-T592 PolarHBondContact O-N 3.42Å; T592-F647 HydrophobicContact CG2-CE2 4.4Å
593L81Confident79Confident0 Ų059 Ų590%034%0.342CS..Hα-helixtrans-71.6-40.4173.2-173.363.4000111.6L586 W590 K591 G595 Q596 L597 L621 L622 A641 L642 A645L586-L593 HydrophobicContact CD1-CB 4.41Å; L586-L593 HydrophobicContact CD1-CD2 4.04Å; L586-L593 HydrophobicContact CD2-CB 4.22Å; L586-L593 HydrophobicContact CD2-CD2 3.56Å; L586-L593 HydrophobicContact CG-CD2 4.48Å; W590-L593 PolarHBondContact O-N 3.2Å; K591-L593 VanDerWaalsContact C-N 3.33Å; L593-G595 PolarHBondContact O-N 2.9Å; L593-Q596 PolarHBondContact O-N 2.92Å; L593-L597 HydrophobicContact CD1-CD1 4.38Å; L593-L597 HydrophobicContact CD1-CG 4.33Å; L593-L597 HydrophobicContact CD2-CD1 4.18Å; L593-L597 HydrophobicContact CG-CD1 3.8Å; L593-L597 HydrophobicContact CG-CG 4.17Å; L593-L597 WeakPolarHBondContact O-CG 3.39Å; L593-L597 PolarHBondContact O-N 3.13Å; L593-L621 HydrophobicContact CB-CD2 4.39Å; L593-L621 HydrophobicContact CD2-CD2 4.47Å; L593-L622 HydrophobicContact CD2-CD2 4.22Å; L593-A641 HydrophobicContact CD1-CB 4.22Å; L593-L642 HydrophobicContact CD1-CD2 3.83Å; L593-L642 HydrophobicContact CD1-CG 4.15Å; L593-L642 HydrophobicContact CD2-CD2 3.81Å; L593-L642 HydrophobicContact CG-CD2 4.43Å; L593-A645 HydrophobicContact CD1-CB 4.03Å
594A81.4Confident79Confident0 Ų060.3 Ų60.30%035%0.348CS..Hα-helixtrans-55.2-38.7177.600000112.9W590 K591 Q596 L597 E598 I599 I604 L621W590-A594 HydrophobicContact CE3-CB 4.38Å; W590-A594 HydrophobicContact CZ3-CB 4.5Å; W590-A594 PolarHBondContact O-N 3.28Å; K591-A594 PolarHBondContact O-N 3.39Å; A594-Q596 VanDerWaalsContact C-N 3.34Å; A594-L597 PolarHBondContact O-N 3.24Å; A594-E598 PolarHBondContact O-N 3.04Å; A594-I599 PolarHBondContact O-N 3Å; A594-I604 HydrophobicContact CB-CD1 3.76Å; A594-I604 HydrophobicContact CB-CG1 4.05Å; A594-L621 HydrophobicContact CB-CD1 3.51Å; A594-L621 HydrophobicContact CB-CD2 3.99Å; A594-L621 HydrophobicContact CB-CG 4.37Å
595G76.9Confident79Confident53 Ų5365.7 Ų65.755%0.54636%0.355SS..Hα-helixtrans-67.5-29.9176.100000114.2K591 L593K591-G595 PolarHBondContact O-N 2.85Å; L593-G595 PolarHBondContact O-N 2.9Å
596Q79.8Confident79.1Confident103 Ų10365.2 Ų65.248%0.48136%0.355SS..Hα-helixtrans-85.2-24.9177.1-63.2-59.5-27.500112.7L593 A594 E598 A645L593-Q596 PolarHBondContact O-N 2.92Å; A594-Q596 VanDerWaalsContact C-N 3.34Å; Q596-E598 PolarHBondContact O-N 3.45Å; Q596-A645 HydrophobicContact CG-CB 3.96Å
597L78.3Confident79.3Confident14 Ų1465.7 Ų65.77%0.07336%0.357CS..THydrogen-bonded Turntrans-82.89.1173.4-64.1176.3000113L593 A594 I599 W625 A641L593-L597 HydrophobicContact CD1-CD1 4.38Å; L593-L597 HydrophobicContact CD1-CG 4.33Å; L593-L597 HydrophobicContact CD2-CD1 4.18Å; L593-L597 HydrophobicContact CG-CD1 3.8Å; L593-L597 HydrophobicContact CG-CG 4.17Å; L593-L597 WeakPolarHBondContact O-CG 3.39Å; L593-L597 PolarHBondContact O-N 3.13Å; A594-L597 PolarHBondContact O-N 3.24Å; L597-I599 HydrophobicContact CB-CD1 4.09Å; L597-I599 HydrophobicContact CB-CG1 4.1Å; L597-I599 HydrophobicContact CD1-CD1 4.44Å; L597-I599 PolarHBondContact O-N 3.34Å; L597-I599 VanDerWaalsContact O-N 3.1Å; L597-W625 HydrophobicContact CD1-CB 4.24Å; L597-W625 HydrophobicContact CD1-CG 4.04Å; L597-W625 HydrophobicContact CD2-CD2 4.47Å; L597-W625 HydrophobicContact CD2-CG 4.29Å; L597-A641 HydrophobicContact CD2-CB 3.39Å; L597-A641 HydrophobicContact CG-CB 4.28Å
598E76.5Confident79.5Confident146 Ų14668.7 Ų68.768%0.68237%0.367SS*.THydrogen-bonded Turntrans51.131.8-178.4-58.4-171.7164.400114.1A594 Q596 R628A594-E598 PolarHBondContact O-N 3.04Å; Q596-E598 PolarHBondContact O-N 3.45Å; E598-R628 PolarHBondContact O-NH1 2.98Å
599I79Confident79.8Confident12 Ų1270.4 Ų70.46%0.06237%0.37CS..  trans-73.3133.4177.6-67.8175.9000108.6A594 L597 E603 I604 L621 W625A594-I599 PolarHBondContact O-N 3Å; L597-I599 HydrophobicContact CB-CD1 4.09Å; L597-I599 HydrophobicContact CB-CG1 4.1Å; L597-I599 HydrophobicContact CD1-CD1 4.44Å; L597-I599 PolarHBondContact O-N 3.34Å; L597-I599 VanDerWaalsContact O-N 3.1Å; I599-E603 HydrophobicContact CG2-CB 3.77Å; I599-E603 WeakPolarHBondContact CG2-OE2 3.49Å; I599-I604 HydrophobicContact CG2-CG1 3.91Å; I599-L621 HydrophobicContact CD1-CD1 3.36Å; I599-L621 HydrophobicContact CD1-CG 3.88Å; I599-L621 HydrophobicContact CG2-CD1 4.41Å; I599-W625 HydrophobicContact CD1-CB 4.25Å
600K81.2Confident79.8Confident136 Ų13670.6 Ų70.659%0.59137%0.374SS*.  trans-66.3145.8-174.1-69.1175-174.4160.20110.2A602 E603 I604K600-A602 PolarHBondContact O-N 2.89Å; K600-E603 PolarHBondContact O-N 3.44Å; K600-I604 PolarHBondContact O-N 3.38Å; K600-I604 VanDerWaalsContact O-N 3.14Å
601A77.1Confident79.4Confident66 Ų6671.8 Ų71.855%0.54538%0.383SS..Hα-helixtrans-58.2-20.8176.900000114.1R605A601-R605 WeakPolarHBondContact O-CG 3.45Å; A601-R605 PolarHBondContact O-N 3.48Å
602A79.8Confident79Confident70 Ų7076.1 Ų76.158%0.57941%0.405SS*.Hα-helixtrans-73.1-43.4173.300000112.4K600 R605 E606K600-A602 PolarHBondContact O-N 2.89Å; A602-R605 PolarHBondContact O-N 3.18Å; A602-E606 PolarHBondContact O-N 3.24Å
603E78.3Confident78.9Confident62 Ų6277 Ų7729%0.2941%0.406SS..Hα-helixtrans-68.4-35.6178.6-69.9159.9-15800110.9I599 K600 R605 E606 I607I599-E603 HydrophobicContact CG2-CB 3.77Å; I599-E603 WeakPolarHBondContact CG2-OE2 3.49Å; K600-E603 PolarHBondContact O-N 3.44Å; E603-R605 VanDerWaalsContact C-N 3.32Å; E603-R605 PolarHBondContact O-N 3.34Å; E603-E606 PolarHBondContact O-N 2.65Å; E603-I607 VanDerWaalsContact O-CG1 3.3Å; E603-I607 WeakPolarHBondContact O-CG1 3.45Å; E603-I607 PolarHBondContact O-N 3.02Å
604I80.9Confident78.8Confident31 Ų3179.5 Ų79.516%0.15942%0.422CS..Hα-helixtrans-61.4-41.1173.3-62.9174.6000111.2W590 A594 I599 K600 E608W590-I604 HydrophobicContact CH2-CG2 3.87Å; W590-I604 HydrophobicContact CZ3-CG2 3.93Å; A594-I604 HydrophobicContact CB-CD1 3.76Å; A594-I604 HydrophobicContact CB-CG1 4.05Å; I599-I604 HydrophobicContact CG2-CG1 3.91Å; K600-I604 PolarHBondContact O-N 3.38Å; K600-I604 VanDerWaalsContact O-N 3.14Å; I604-E608 WeakPolarHBondContact O-CG 3.42Å; I604-E608 PolarHBondContact O-N 2.87Å; I604-E608 VanDerWaalsContact O-N 3.16Å
605R81Confident78.5Confident177 Ų17783 Ų8367%0.66844%0.441SS*.Hα-helixtrans-70.2-35.2177.8-71.9177.2-164.3-177.14.2112.1A601 A602 E603 E608 T609A601-R605 WeakPolarHBondContact O-CG 3.45Å; A601-R605 PolarHBondContact O-N 3.48Å; A602-R605 PolarHBondContact O-N 3.18Å; E603-R605 VanDerWaalsContact C-N 3.32Å; E603-R605 PolarHBondContact O-N 3.34Å; R605-E608 WeakPolarHBondContact O-CB 3.31Å; R605-E608 PolarHBondContact O-N 3.22Å; R605-T609 PolarHBondContact O-N 3.41Å; R605-T609 VanDerWaalsContact O-N 3.16Å; R605-T609 PolarHBondContact O-OG1 3.18Å
606E82.7Confident78.6Confident117 Ų11784.6 Ų84.655%0.54744%0.435SS..Hα-helixtrans-63.3-47.8176.5-168.6169.2-169.400110.7A602 E603 E608 T609 D610A602-E606 PolarHBondContact O-N 3.24Å; E603-E606 PolarHBondContact O-N 2.65Å; E606-E608 VanDerWaalsContact C-N 3.28Å; E606-E608 PolarHBondContact O-N 3.04Å; E606-T609 WeakPolarHBondContact CA-OG1 3.38Å; E606-T609 PolarHBondContact O-N 3.2Å; E606-T609 PolarHBondContact O-OG1 2.78Å; E606-D610 PolarHBondContact O-N 3.48Å
607I81.1Confident78.7Confident12 Ų1280.7 Ų80.76%0.06242%0.417CS..Hα-helixtrans-60.6-35175.7-64.9164.8000112W590 E603 D610 Q617 L620 L621 A624W590-I607 HydrophobicContact CH2-CB 4.28Å; W590-I607 HydrophobicContact CH2-CG2 3.95Å; W590-I607 HydrophobicContact CZ2-CG2 4.39Å; W590-I607 HydrophobicContact CZ3-CG2 4.29Å; E603-I607 VanDerWaalsContact O-CG1 3.3Å; E603-I607 WeakPolarHBondContact O-CG1 3.45Å; E603-I607 PolarHBondContact O-N 3.02Å; I607-D610 PolarHBondContact O-N 2.85Å; I607-Q617 HydrophobicContact CG2-CB 4.09Å; I607-Q617 HydrophobicContact CG2-CG 4.32Å; I607-L620 HydrophobicContact CG1-CB 4.4Å; I607-L620 HydrophobicContact CG2-CB 3.94Å; I607-L620 HydrophobicContact CG2-CD1 4.46Å; I607-L621 HydrophobicContact CD1-CD1 4.13Å; I607-A624 HydrophobicContact CD1-CB 4.45Å
608E79.4Confident79Confident76 Ų7680 Ų8036%0.35541%0.413SS..Hα-helixtrans-66.6-35174.4-76.6176.7162.700113.2W590 K591 I604 R605 E606W590-E608 HydrophobicContact CH2-CG 3.95Å; W590-E608 HydrophobicContact CZ2-CG 3.86Å; K591-E608 WeakPolarHBondContact CE-OE1 3.28Å; K591-E608 IonicContact NZ-OE1 3.7Å; K591-E608 PolarHBondContact NZ-OE1 2.92Å; I604-E608 WeakPolarHBondContact O-CG 3.42Å; I604-E608 PolarHBondContact O-N 2.87Å; I604-E608 VanDerWaalsContact O-N 3.16Å; R605-E608 WeakPolarHBondContact O-CB 3.31Å; R605-E608 PolarHBondContact O-N 3.22Å; E606-E608 VanDerWaalsContact C-N 3.28Å; E606-E608 PolarHBondContact O-N 3.04Å
609T80.1Confident79.3Confident117 Ų11776.3 Ų76.372%0.71840%0.395SS*.Hα-helixtrans-77.8-27.3176.119.60000113.6R605 E606R605-T609 PolarHBondContact O-N 3.41Å; R605-T609 VanDerWaalsContact O-N 3.16Å; R605-T609 PolarHBondContact O-OG1 3.18Å; E606-T609 WeakPolarHBondContact CA-OG1 3.38Å; E606-T609 PolarHBondContact O-N 3.2Å; E606-T609 PolarHBondContact O-OG1 2.78Å
610D77.2Confident79.5Confident110 Ų11078.2 Ų78.259%0.58841%0.405SS*.Hα-helixtrans-79.7-21.2-172.3-78.6-9.7000114E606 I607 L620E606-D610 PolarHBondContact O-N 3.48Å; I607-D610 PolarHBondContact O-N 2.85Å; D610-L620 HydrophobicContact CB-CD1 4.33Å
611S73.6Confident79.7Confident26 Ų2671.7 Ų71.718%0.18238%0.376CS..  trans-152.4139.6176.1-163.60000112.7D613 Q617S611-D613 PolarHBondContact OG-N 3.42Å; S611-Q617 PolarHBondContact O-NE2 2.9Å
612E72.4Confident79.9Confident196 Ų19668.6 Ų68.692%0.91635%0.351SS*.SBendtrans-84-12.5169.9-64.6-176.3174.500112.4
613D78.9Confident80.1Confident92 Ų9267.4 Ų67.449%0.49234%0.336SS..  trans-85.9120.6-179.8-170.5-14000110.6S611 D615 M616 Q617S611-D613 PolarHBondContact OG-N 3.42Å; D613-D615 VanDerWaalsContact C-N 3.3Å; D613-D615 PolarHBondContact O-N 2.97Å; D613-D615 PolarHBondContact OD1-N 2.82Å; D613-D615 VanDerWaalsContact OD1-N 3.14Å; D613-M616 HydrophobicContact CB-CB 3.9Å; D613-M616 WeakPolarHBondContact O-CB 3.46Å; D613-M616 PolarHBondContact O-N 2.9Å; D613-Q617 WeakPolarHBondContact O-CG 3.47Å; D613-Q617 PolarHBondContact O-N 3.08Å
614V78.9Confident80.3Confident53 Ų5366.1 Ų66.132%0.32134%0.336SS..Hα-helixtrans-65.2-34.3-173.8-179.80000111.9G587 A588 Q617 A618G587-V614 WeakPolarHBondContact O-CG1 3.39Å; A588-V614 HydrophobicContact CB-CG1 3.91Å; V614-Q617 PolarHBondContact O-N 3.47Å; V614-A618 PolarHBondContact O-N 3.33Å; V614-A618 VanDerWaalsContact O-N 3.1Å
615D75.4Confident80.5Confident75 Ų7565 Ų6540%0.40133%0.33SS..Hα-helixtrans-75-33.3178.6-65-21.7000110.5D613 A618 K619D613-D615 VanDerWaalsContact C-N 3.3Å; D613-D615 PolarHBondContact O-N 2.97Å; D613-D615 PolarHBondContact OD1-N 2.82Å; D613-D615 VanDerWaalsContact OD1-N 3.14Å; D615-A618 PolarHBondContact O-N 2.93Å; D615-K619 PolarHBondContact O-N 3.2Å
616M79.4Confident80.5Confident86 Ų8658.6 Ų58.642%0.42431%0.308SS..Hα-helixtrans-70.1-37.7173.8-166.865.6-177.600111.8D613 K619 L620D613-M616 HydrophobicContact CB-CB 3.9Å; D613-M616 WeakPolarHBondContact O-CB 3.46Å; D613-M616 PolarHBondContact O-N 2.9Å; M616-K619 PolarHBondContact O-N 2.89Å; M616-K619 HydrophobicContact SD-CD 4.4Å; M616-L620 HydrophobicContact CG-CD1 4.39Å; M616-L620 WeakPolarHBondContact O-CB 3.29Å; M616-L620 VanDerWaalsContact O-CG 3.29Å; M616-L620 WeakPolarHBondContact O-CG 3.31Å; M616-L620 PolarHBondContact O-N 2.89Å
617Q82.2Confident80.4Confident21 Ų2159.2 Ų59.210%0.09831%0.314CS..Hα-helixtrans-61.9-43172.6-70.9176.1-10.800111.7W590 I607 S611 D613 V614 K619 L620 L621W590-Q617 HydrophobicContact CD2-CB 4.41Å; W590-Q617 HydrophobicContact CZ2-CB 3.98Å; W590-Q617 HydrophobicContact CZ2-CG 4.33Å; I607-Q617 HydrophobicContact CG2-CB 4.09Å; I607-Q617 HydrophobicContact CG2-CG 4.32Å; S611-Q617 PolarHBondContact O-NE2 2.9Å; D613-Q617 WeakPolarHBondContact O-CG 3.47Å; D613-Q617 PolarHBondContact O-N 3.08Å; V614-Q617 PolarHBondContact O-N 3.47Å; Q617-K619 VanDerWaalsContact C-N 3.32Å; Q617-K619 PolarHBondContact O-N 3.06Å; Q617-L620 PolarHBondContact O-N 3.22Å; Q617-L621 PolarHBondContact O-N 3.1Å
618A83.2Confident80.3Confident0 Ų063.9 Ų63.90%033%0.331CS..Hα-helixtrans-63.1-38.5175.700000112A583 L586 W590 V614 D615 L621 L622A583-A618 HydrophobicContact CB-CB 3.97Å; L586-A618 HydrophobicContact CB-CB 4.4Å; L586-A618 HydrophobicContact CD2-CB 4.24Å; W590-A618 HydrophobicContact CB-CB 3.87Å; W590-A618 HydrophobicContact CG-CB 4.44Å; V614-A618 PolarHBondContact O-N 3.33Å; V614-A618 VanDerWaalsContact O-N 3.1Å; D615-A618 PolarHBondContact O-N 2.93Å; A618-L621 WeakPolarHBondContact O-CB 3.47Å; A618-L622 WeakPolarHBondContact O-CG 3.45Å; A618-L622 PolarHBondContact O-N 3.32Å
619K83.1Confident80.1Confident68 Ų6863.4 Ų63.430%0.29633%0.329SS..Hα-helixtrans-67.1-45.5174.5-175.7174.8180156.60112.4D580 A583 D615 M616 Q617 L621 L622 V623D580-K619 VanDerWaalsContact CG-NZ 3.29Å; D580-K619 WeakPolarHBondContact OD1-CD 3.45Å; D580-K619 WeakPolarHBondContact OD1-CE 3.19Å; D580-K619 IonicContact OD1-NZ 2.94Å; D580-K619 PolarHBondContact OD1-NZ 2.82Å; D580-K619 IonicContact OD2-NZ 3.86Å; D580-K619 PolarHBondContact OD2-NZ 2.74Å; D580-K619 VanDerWaalsContact OD2-NZ 3.15Å; A583-K619 HydrophobicContact CB-CB 3.96Å; D615-K619 PolarHBondContact O-N 3.2Å; M616-K619 PolarHBondContact O-N 2.89Å; M616-K619 HydrophobicContact SD-CD 4.4Å; Q617-K619 VanDerWaalsContact C-N 3.32Å; Q617-K619 PolarHBondContact O-N 3.06Å; K619-L621 VanDerWaalsContact C-N 3.26Å; K619-L621 PolarHBondContact O-N 3.49Å; K619-L622 PolarHBondContact O-N 3.48Å; K619-L622 VanDerWaalsContact O-N 3.15Å; K619-V623 WeakPolarHBondContact O-CG2 3.3Å; K619-V623 PolarHBondContact O-N 3.43Å
620L83.4Confident79.7Confident51 Ų5159.7 Ų59.727%0.26731%0.314SS..Hα-helixtrans-60.7-36177.6-74.4171000111.9I607 D610 M616 Q617 V623 A624I607-L620 HydrophobicContact CG1-CB 4.4Å; I607-L620 HydrophobicContact CG2-CB 3.94Å; I607-L620 HydrophobicContact CG2-CD1 4.46Å; D610-L620 HydrophobicContact CB-CD1 4.33Å; M616-L620 HydrophobicContact CG-CD1 4.39Å; M616-L620 WeakPolarHBondContact O-CB 3.29Å; M616-L620 VanDerWaalsContact O-CG 3.29Å; M616-L620 WeakPolarHBondContact O-CG 3.31Å; M616-L620 PolarHBondContact O-N 2.89Å; Q617-L620 PolarHBondContact O-N 3.22Å; L620-V623 PolarHBondContact O-N 3.05Å; L620-A624 VanDerWaalsContact O-CB 3.28Å; L620-A624 WeakPolarHBondContact O-CB 3.38Å; L620-A624 PolarHBondContact O-N 3.38Å
621L84.7Confident79.2Confident0 Ų059.9 Ų59.90%032%0.319CS..Hα-helixtrans-60.7-47.7172.8-173.779.6000112.4W590 L593 A594 I599 I607 Q617 A618 K619 V623 A624 W625W590-L621 HydrophobicContact CB-CD2 4.33Å; W590-L621 HydrophobicContact CE3-CB 4.36Å; W590-L621 HydrophobicContact CE3-CD1 4Å; W590-L621 HydrophobicContact CE3-CD2 4.09Å; W590-L621 HydrophobicContact CE3-CG 4.38Å; W590-L621 HydrophobicContact CZ3-CD1 4.06Å; W590-L621 WeakPolarHBondContact O-CD2 3.48Å; L593-L621 HydrophobicContact CB-CD2 4.39Å; L593-L621 HydrophobicContact CD2-CD2 4.47Å; A594-L621 HydrophobicContact CB-CD1 3.51Å; A594-L621 HydrophobicContact CB-CD2 3.99Å; A594-L621 HydrophobicContact CB-CG 4.37Å; I599-L621 HydrophobicContact CD1-CD1 3.36Å; I599-L621 HydrophobicContact CD1-CG 3.88Å; I599-L621 HydrophobicContact CG2-CD1 4.41Å; I607-L621 HydrophobicContact CD1-CD1 4.13Å; Q617-L621 PolarHBondContact O-N 3.1Å; A618-L621 WeakPolarHBondContact O-CB 3.47Å; K619-L621 VanDerWaalsContact C-N 3.26Å; K619-L621 PolarHBondContact O-N 3.49Å; L621-V623 VanDerWaalsContact C-N 3.34Å; L621-A624 PolarHBondContact O-N 2.91Å; L621-W625 WeakPolarHBondContact O-CB 3.38Å; L621-W625 PolarHBondContact O-N 3.27Å
622L82.4Confident78.8Confident0 Ų064.5 Ų64.50%034%0.338CS..Hα-helixtrans-67.7-36.2-178.7-66.9173000111.7M579 I582 L593 A618 K619 W625 Q626 L638M579-L622 HydrophobicContact CB-CB 4.4Å; M579-L622 HydrophobicContact CB-CD1 4.09Å; M579-L622 HydrophobicContact CG-CB 4.16Å; M579-L622 HydrophobicContact CG-CD1 4.33Å; M579-L622 WeakPolarHBondContact O-CD1 3.41Å; M579-L622 HydrophobicContact SD-CB 3.86Å; I582-L622 HydrophobicContact CB-CD1 4.08Å; I582-L622 HydrophobicContact CG2-CD1 3.89Å; L593-L622 HydrophobicContact CD2-CD2 4.22Å; A618-L622 WeakPolarHBondContact O-CG 3.45Å; A618-L622 PolarHBondContact O-N 3.32Å; K619-L622 PolarHBondContact O-N 3.48Å; K619-L622 VanDerWaalsContact O-N 3.15Å; L622-W625 PolarHBondContact O-N 3.08Å; L622-Q626 WeakPolarHBondContact O-CB 3.36Å; L622-Q626 PolarHBondContact O-N 3.04Å; L622-L638 HydrophobicContact CD2-CD1 3.89Å; L622-L638 HydrophobicContact CD2-CD2 4.34Å
623V83.9Confident78.8Confident46 Ų4655.1 Ų55.128%0.27929%0.294SS..Hα-helixtrans-66.5-46.8173.41740000110.8K619 L620 L621 W625 Q626 D627K619-V623 WeakPolarHBondContact O-CG2 3.3Å; K619-V623 PolarHBondContact O-N 3.43Å; L620-V623 PolarHBondContact O-N 3.05Å; L621-V623 VanDerWaalsContact C-N 3.34Å; V623-W625 VanDerWaalsContact C-N 3.27Å; V623-W625 PolarHBondContact O-N 2.64Å; V623-Q626 PolarHBondContact O-N 3.04Å; V623-Q626 VanDerWaalsContact O-N 3.13Å; V623-D627 WeakPolarHBondContact O-CB 3.33Å; V623-D627 PolarHBondContact O-N 3.09Å
624A82.7Confident78.9Confident35 Ų3551.5 Ų51.529%0.28928%0.276SS..Hα-helixtrans-61.1-37.217700000112.3I607 L620 L621 R628I607-A624 HydrophobicContact CD1-CB 4.45Å; L620-A624 VanDerWaalsContact O-CB 3.28Å; L620-A624 WeakPolarHBondContact O-CB 3.38Å; L620-A624 PolarHBondContact O-N 3.38Å; L621-A624 PolarHBondContact O-N 2.91Å; A624-R628 WeakPolarHBondContact O-CB 3.02Å; A624-R628 PolarHBondContact O-N 3.04Å; A624-R628 VanDerWaalsContact O-N 3.14Å
625W84.8Confident78.8Confident7 Ų749.7 Ų49.73%0.02727%0.265CS..Hα-helixtrans-65.1-45.9172.4172.471.9000112.3V574 L597 I599 L621 L622 V623 R628 E629 A633 L638V574-W625 HydrophobicContact CG2-CH2 4.13Å; V574-W625 HydrophobicContact CG2-CZ3 3.93Å; L597-W625 HydrophobicContact CD1-CB 4.24Å; L597-W625 HydrophobicContact CD1-CG 4.04Å; L597-W625 HydrophobicContact CD2-CD2 4.47Å; L597-W625 HydrophobicContact CD2-CG 4.29Å; I599-W625 HydrophobicContact CD1-CB 4.25Å; L621-W625 WeakPolarHBondContact O-CB 3.38Å; L621-W625 PolarHBondContact O-N 3.27Å; L622-W625 PolarHBondContact O-N 3.08Å; V623-W625 VanDerWaalsContact C-N 3.27Å; V623-W625 PolarHBondContact O-N 2.64Å; W625-R628 PolarHBondContact O-N 2.81Å; W625-E629 PolarHBondContact O-N 2.9Å; W625-A633 HydrophobicContact CE3-CB 4.36Å; W625-A633 HydrophobicContact CH2-CB 3.76Å; W625-A633 HydrophobicContact CZ2-CB 4.18Å; W625-A633 HydrophobicContact CZ3-CB 3.86Å; W625-L638 HydrophobicContact CH2-CB 3.8Å; W625-L638 HydrophobicContact CH2-CD1 4.43Å; W625-L638 HydrophobicContact CZ2-CB 4.42Å; W625-L638 HydrophobicContact CZ3-CB 4.24Å; W625-L638 HydrophobicContact CZ3-CD1 4.3Å; W625-L638 HydrophobicContact CZ3-CD2 4.28Å
626Q81.6Confident79Confident43 Ų4352.5 Ų52.520%0.20128%0.275CS..Hα-helixtrans-63.8-41178.2-177.6174.459.300112.1V574 L622 V623 R628 G630 A633V574-Q626 PolarHBondContact O-NE2 3.46Å; V574-Q626 VanDerWaalsContact O-NE2 3.07Å; L622-Q626 WeakPolarHBondContact O-CB 3.36Å; L622-Q626 PolarHBondContact O-N 3.04Å; V623-Q626 PolarHBondContact O-N 3.04Å; V623-Q626 VanDerWaalsContact O-N 3.13Å; Q626-R628 VanDerWaalsContact C-N 3.28Å; Q626-R628 PolarHBondContact O-N 3.49Å; Q626-G630 WeakPolarHBondContact O-CA 3.19Å; Q626-G630 PolarHBondContact O-N 3.28Å; Q626-A633 HydrophobicContact CB-CB 4.48Å; Q626-A633 HydrophobicContact CG-CB 4.23Å
627D79.9Confident79Confident129 Ų12950.7 Ų50.769%0.6927%0.271SS*.Hα-helixtrans-64.6-33.7177-76.8-20.1000112V623V623-D627 WeakPolarHBondContact O-CB 3.33Å; V623-D627 PolarHBondContact O-N 3.09Å
628R79.8Confident78.9Confident110 Ų11049.7 Ų49.742%0.41527%0.266SS..Hα-helixtrans-75.2-48.5177.5177.1178162.3177.3-5.7112.8E598 A624 W625 Q626E598-R628 PolarHBondContact O-NH1 2.98Å; A624-R628 WeakPolarHBondContact O-CB 3.02Å; A624-R628 PolarHBondContact O-N 3.04Å; A624-R628 VanDerWaalsContact O-N 3.14Å; W625-R628 PolarHBondContact O-N 2.81Å; Q626-R628 VanDerWaalsContact C-N 3.28Å; Q626-R628 PolarHBondContact O-N 3.49Å
629E74.7Confident78.8Confident67 Ų6750.4 Ų50.431%0.31327%0.27SS..Hα-helixtrans-87.7-18-172.6-64.8-59.2140.600112.9W625 T631 Q632 A633W625-E629 PolarHBondContact O-N 2.9Å; E629-T631 PolarHBondContact O-N 2.58Å; E629-Q632 HydrophobicContact CB-CB 4.49Å; E629-Q632 WeakPolarHBondContact O-CB 3.39Å; E629-Q632 PolarHBondContact O-N 2.81Å; E629-A633 HydrophobicContact CB-CB 4.08Å
630G72.2Confident78.8Confident38 Ų3851.7 Ų51.739%0.39228%0.284SS..G310 helixtrans54.2-111.5173.300000113Q626 Q632 A633Q626-G630 WeakPolarHBondContact O-CA 3.19Å; Q626-G630 PolarHBondContact O-N 3.28Å; G630-Q632 PolarHBondContact O-N 3.48Å; G630-A633 WeakPolarHBondContact O-CB 3.48Å; G630-A633 PolarHBondContact O-N 3.48Å
631T65.4Low78.7Confident115 Ų11549.9 Ų49.971%0.70628%0.276SS*.G310 helixtrans-75.4-9.5-179.858.20000114.3E629E629-T631 PolarHBondContact O-N 2.58Å
632Q65.1Low78.5Confident122 Ų12249.9 Ų49.957%0.5728%0.276SS*.G310 helixtrans-95.4-3.1175.9-59-62.5-50.600112.9E629 G630 T634E629-Q632 HydrophobicContact CB-CB 4.49Å; E629-Q632 WeakPolarHBondContact O-CB 3.39Å; E629-Q632 PolarHBondContact O-N 2.81Å; G630-Q632 PolarHBondContact O-N 3.48Å; Q632-T634 PolarHBondContact O-N 3.37Å
633A72.8Confident78.5Confident0 Ų053.6 Ų53.60%030%0.297CS..  trans-74.861.9174.500000111.7V574 W625 Q626 E629 G630V574-A633 PolarHBondContact N-O 3.21Å; W625-A633 HydrophobicContact CE3-CB 4.36Å; W625-A633 HydrophobicContact CH2-CB 3.76Å; W625-A633 HydrophobicContact CZ2-CB 4.18Å; W625-A633 HydrophobicContact CZ3-CB 3.86Å; Q626-A633 HydrophobicContact CB-CB 4.48Å; Q626-A633 HydrophobicContact CG-CB 4.23Å; E629-A633 HydrophobicContact CB-CB 4.08Å; G630-A633 WeakPolarHBondContact O-CB 3.48Å; G630-A633 PolarHBondContact O-N 3.48Å
634T80.5Confident78.4Confident16 Ų1654.4 Ų54.410%0.09831%0.308CS..BIsolated β-bridgetrans-84.4155.9-17963.90000111.7N571 Q632 E636 S637 L638N571-T634 HydrophobicContact CB-CG2 3.96Å; Q632-T634 PolarHBondContact O-N 3.37Å; T634-E636 PolarHBondContact O-N 3.14Å; T634-S637 WeakPolarHBondContact O-CB 3.16Å; T634-S637 PolarHBondContact O-N 2.76Å; T634-S637 VanDerWaalsContact O-N 3.14Å; T634-S637 PolarHBondContact OG1-N 2.88Å; T634-L638 PolarHBondContact O-N 3.09Å; T634-L638 VanDerWaalsContact O-N 3.16Å
635V78.3Confident78.2Confident15 Ų1553.4 Ų53.49%0.09130%0.299CS..Hα-helixtrans-55.1-39.7173.21720000111.4K572 V574 S637 L638 V639 L654K572-V635 HydrophobicContact CB-CG2 4.03Å; K572-V635 WeakPolarHBondContact O-CG2 3.48Å; K572-V635 PolarHBondContact O-N 3.01Å; V574-V635 HydrophobicContact CG2-CG2 4.03Å; V635-S637 PolarHBondContact O-N 3.19Å; V635-L638 PolarHBondContact O-N 3.16Å; V635-V639 HydrophobicContact CG1-CG2 4.19Å; V635-V639 WeakPolarHBondContact O-CB 3.36Å; V635-V639 VanDerWaalsContact O-CG2 3.27Å; V635-V639 WeakPolarHBondContact O-CG2 3.37Å; V635-V639 PolarHBondContact O-N 3.44Å; V635-L654 HydrophobicContact CG1-CB 3.87Å; V635-L654 HydrophobicContact CG1-CD2 4.19Å; V635-L654 HydrophobicContact CG1-CG 4.44Å
636E78.2Confident77.8Confident134 Ų13455.6 Ų55.663%0.62633%0.325SS*.Hα-helixtrans-63.3-38.3177.6-64.8-176.2168.600113.2T634 V639 T640T634-E636 PolarHBondContact O-N 3.14Å; E636-V639 PolarHBondContact O-N 3.38Å; E636-T640 WeakPolarHBondContact O-CB 3.47Å; E636-T640 PolarHBondContact O-N 2.87Å; E636-T640 PolarHBondContact O-OG1 3.43Å
637S80.2Confident77.9Confident48 Ų4854.8 Ų54.834%0.33632%0.32SS..Hα-helixtrans-64.6-44.7176.6-175.70000110.9T634 V635 T640 A641T634-S637 WeakPolarHBondContact O-CB 3.16Å; T634-S637 PolarHBondContact O-N 2.76Å; T634-S637 VanDerWaalsContact O-N 3.14Å; T634-S637 PolarHBondContact OG1-N 2.88Å; V635-S637 PolarHBondContact O-N 3.19Å; S637-T640 PolarHBondContact O-N 3.16Å; S637-A641 PolarHBondContact O-N 3.44Å
638L80.6Confident77.7Confident0 Ų051.8 Ų51.80%031%0.308CS..Hα-helixtrans-68.2-39.7177.6-171.458.9000112.4V574 I582 L622 W625 T634 V635 T640 A641 L642 L654V574-L638 HydrophobicContact CB-CD2 4.49Å; V574-L638 HydrophobicContact CG1-CD2 3.88Å; V574-L638 HydrophobicContact CG2-CB 4.22Å; V574-L638 HydrophobicContact CG2-CD2 3.85Å; I582-L638 HydrophobicContact CD1-CD2 3.74Å; L622-L638 HydrophobicContact CD2-CD1 3.89Å; L622-L638 HydrophobicContact CD2-CD2 4.34Å; W625-L638 HydrophobicContact CH2-CB 3.8Å; W625-L638 HydrophobicContact CH2-CD1 4.43Å; W625-L638 HydrophobicContact CZ2-CB 4.42Å; W625-L638 HydrophobicContact CZ3-CB 4.24Å; W625-L638 HydrophobicContact CZ3-CD1 4.3Å; W625-L638 HydrophobicContact CZ3-CD2 4.28Å; T634-L638 PolarHBondContact O-N 3.09Å; T634-L638 VanDerWaalsContact O-N 3.16Å; V635-L638 PolarHBondContact O-N 3.16Å; L638-T640 VanDerWaalsContact C-N 3.32Å; L638-T640 PolarHBondContact O-N 3.2Å; L638-A641 PolarHBondContact O-N 3.39Å; L638-L642 HydrophobicContact CD1-CD1 4.48Å; L638-L642 HydrophobicContact CD1-CG 4.48Å; L638-L642 HydrophobicContact CG-CD1 4.02Å; L638-L642 HydrophobicContact CG-CG 4.49Å; L638-L642 WeakPolarHBondContact O-CB 3.46Å; L638-L642 VanDerWaalsContact O-CG 3.29Å; L638-L642 WeakPolarHBondContact O-CG 3.38Å; L638-L642 PolarHBondContact O-N 2.98Å; L638-L654 HydrophobicContact CB-CD1 4.24Å; L638-L654 HydrophobicContact CD2-CD1 3.9Å; L638-L654 HydrophobicContact CG-CD1 3.95Å
639V81Confident77.4Confident14 Ų1455.1 Ų55.19%0.08533%0.325CS..Hα-helixtrans-60.5-42.3173.7164.30000110.9V635 E636 L642 N643 A651 L654V635-V639 HydrophobicContact CG1-CG2 4.19Å; V635-V639 WeakPolarHBondContact O-CB 3.36Å; V635-V639 VanDerWaalsContact O-CG2 3.27Å; V635-V639 WeakPolarHBondContact O-CG2 3.37Å; V635-V639 PolarHBondContact O-N 3.44Å; E636-V639 PolarHBondContact O-N 3.38Å; V639-L642 PolarHBondContact O-N 3.35Å; V639-N643 WeakPolarHBondContact CG1-ND2 2.98Å; V639-N643 WeakPolarHBondContact O-CB 3.29Å; V639-N643 PolarHBondContact O-N 3.33Å; V639-N643 PolarHBondContact O-ND2 3.1Å; V639-A651 HydrophobicContact CG1-CB 4.27Å; V639-L654 HydrophobicContact CG2-CB 3.62Å; V639-L654 HydrophobicContact CG2-CD1 3.71Å; V639-L654 HydrophobicContact CG2-CG 4.34Å
640T82.8Confident77.6Confident96 Ų9652.8 Ų52.859%0.58932%0.315SS*.Hα-helixtrans-64.3-44.9177.8-56.80000111.1E636 S637 L638 N643 A644E636-T640 WeakPolarHBondContact O-CB 3.47Å; E636-T640 PolarHBondContact O-N 2.87Å; E636-T640 PolarHBondContact O-OG1 3.43Å; S637-T640 PolarHBondContact O-N 3.16Å; L638-T640 VanDerWaalsContact C-N 3.32Å; L638-T640 PolarHBondContact O-N 3.2Å; T640-N643 PolarHBondContact O-N 3.23Å; T640-A644 WeakPolarHBondContact O-CB 3.24Å; T640-A644 PolarHBondContact O-N 3.14Å
641A80.7Confident77.8Confident12 Ų1251 Ų5110%0.09930%0.296CS..Hα-helixtrans-65.2-40.7177.300000112.8L593 L597 S637 L638 A644 A645L593-A641 HydrophobicContact CD1-CB 4.22Å; L597-A641 HydrophobicContact CD2-CB 3.39Å; L597-A641 HydrophobicContact CG-CB 4.28Å; S637-A641 PolarHBondContact O-N 3.44Å; L638-A641 PolarHBondContact O-N 3.39Å; A641-A644 PolarHBondContact O-N 3.15Å; A641-A645 VanDerWaalsContact O-CB 3.29Å; A641-A645 WeakPolarHBondContact O-CB 3.2Å; A641-A645 PolarHBondContact O-N 3Å
642L81.7Confident78.3Confident0 Ų049.4 Ų49.40%028%0.284CS..Hα-helixtrans-65.8-40176.4-76.4166.8000112.2I582 L586 L593 L638 V639 A645 G646 F647 I650 A651 L654I582-L642 HydrophobicContact CD1-CD1 4.4Å; L586-L642 HydrophobicContact CD1-CD2 4.06Å; L593-L642 HydrophobicContact CD1-CD2 3.83Å; L593-L642 HydrophobicContact CD1-CG 4.15Å; L593-L642 HydrophobicContact CD2-CD2 3.81Å; L593-L642 HydrophobicContact CG-CD2 4.43Å; L638-L642 HydrophobicContact CD1-CD1 4.48Å; L638-L642 HydrophobicContact CD1-CG 4.48Å; L638-L642 HydrophobicContact CG-CD1 4.02Å; L638-L642 HydrophobicContact CG-CG 4.49Å; L638-L642 WeakPolarHBondContact O-CB 3.46Å; L638-L642 VanDerWaalsContact O-CG 3.29Å; L638-L642 WeakPolarHBondContact O-CG 3.38Å; L638-L642 PolarHBondContact O-N 2.98Å; V639-L642 PolarHBondContact O-N 3.35Å; L642-A645 PolarHBondContact O-N 3.04Å; L642-G646 PolarHBondContact O-N 2.92Å; L642-F647 HydrophobicContact CD2-CB 4.43Å; L642-F647 PolarHBondContact O-N 3.02Å; L642-I650 HydrophobicContact CD1-CG2 4.35Å; L642-I650 HydrophobicContact CD2-CG2 4.24Å; L642-A651 HydrophobicContact CB-CB 4.01Å; L642-L654 HydrophobicContact CD1-CD1 3.77Å
643N81.1Confident78.6Confident79 Ų7944.7 Ų44.742%0.42226%0.262SS..Hα-helixtrans-65.8-43.3174.4-79-44.5000111.8V639 T640 A645 G646 P648V639-N643 WeakPolarHBondContact CG1-ND2 2.98Å; V639-N643 WeakPolarHBondContact O-CB 3.29Å; V639-N643 PolarHBondContact O-N 3.33Å; V639-N643 PolarHBondContact O-ND2 3.1Å; T640-N643 PolarHBondContact O-N 3.23Å; N643-A645 VanDerWaalsContact C-N 3.29Å; N643-A645 PolarHBondContact O-N 3.47Å; N643-G646 PolarHBondContact O-N 2.78Å; N643-G646 VanDerWaalsContact O-N 3.12Å; N643-P648 WeakPolarHBondContact OD1-CA 3.38Å
644A81.4Confident78.3Confident63 Ų6344.8 Ų44.852%0.52126%0.263SS..Hα-helixtrans-64.1-33.2175.500000112.6T640 A641 G646T640-A644 WeakPolarHBondContact O-CB 3.24Å; T640-A644 PolarHBondContact O-N 3.14Å; A641-A644 PolarHBondContact O-N 3.15Å; A644-G646 PolarHBondContact O-N 3.2Å
645A79.2Confident77.4Confident13 Ų1349.3 Ų49.311%0.10729%0.286CS..THydrogen-bonded Turntrans-77-4.7175.400000114L593 Q596 A641 L642 N643 F647L593-A645 HydrophobicContact CD1-CB 4.03Å; Q596-A645 HydrophobicContact CG-CB 3.96Å; A641-A645 VanDerWaalsContact O-CB 3.29Å; A641-A645 WeakPolarHBondContact O-CB 3.2Å; A641-A645 PolarHBondContact O-N 3Å; L642-A645 PolarHBondContact O-N 3.04Å; N643-A645 VanDerWaalsContact C-N 3.29Å; N643-A645 PolarHBondContact O-N 3.47Å; A645-F647 HydrophobicContact CB-CD2 3.75Å; A645-F647 HydrophobicContact CB-CE2 3.92Å; A645-F647 WeakPolarHBondContact O-CE2 3.42Å
646G77.4Confident76.2Confident54 Ų5456.7 Ų56.756%0.55732%0.32SS*.THydrogen-bonded Turntrans8820.5177.500000115.1L642 N643 A644 P648L642-G646 PolarHBondContact O-N 2.92Å; N643-G646 PolarHBondContact O-N 2.78Å; N643-G646 VanDerWaalsContact O-N 3.12Å; A644-G646 PolarHBondContact O-N 3.2Å; G646-P648 WeakPolarHBondContact O-CD 3.43Å
647F82.4Confident74.6Confident25 Ų2555 Ų5511%0.1132%0.319CS..  trans-114.157.6-179.3-55.7-64.5000114L586 Q589 T592 L642 A645 K649 I650 A651L586-F647 HydrophobicContact CD1-CD2 4.16Å; L586-F647 HydrophobicContact CD1-CE2 4.32Å; Q589-F647 HydrophobicContact CB-CE1 4.18Å; Q589-F647 HydrophobicContact CB-CE2 4.47Å; Q589-F647 HydrophobicContact CB-CZ 3.65Å; Q589-F647 HydrophobicContact CG-CZ 4.42Å; Q589-F647 VanDerWaalsContact OE1-CE1 3.25Å; T592-F647 HydrophobicContact CG2-CE2 4.4Å; L642-F647 HydrophobicContact CD2-CB 4.43Å; L642-F647 PolarHBondContact O-N 3.02Å; A645-F647 HydrophobicContact CB-CD2 3.75Å; A645-F647 HydrophobicContact CB-CE2 3.92Å; A645-F647 WeakPolarHBondContact O-CE2 3.42Å; F647-K649 VanDerWaalsContact C-N 3.29Å; F647-K649 PolarHBondContact O-N 3.09Å; F647-I650 HydrophobicContact CB-CB 4.11Å; F647-I650 HydrophobicContact CB-CD1 4Å; F647-I650 HydrophobicContact CB-CG1 4.15Å; F647-I650 HydrophobicContact CD1-CD1 4.17Å; F647-I650 HydrophobicContact CG-CD1 4.18Å; F647-I650 PolarHBondContact O-N 2.95Å; F647-A651 PolarHBondContact O-N 3.37Å; F647-A651 VanDerWaalsContact O-N 3.11Å
648P76.4Confident74.3Confident67 Ų6755.4 Ų55.444%0.43532%0.318SS..Hα-helixtrans-62.7-34.6-176.926.1-34000112.8N643 G646 I650 A651 D652N643-P648 WeakPolarHBondContact OD1-CA 3.38Å; G646-P648 WeakPolarHBondContact O-CD 3.43Å; P648-I650 PolarHBondContact O-N 3.33Å; P648-A651 WeakPolarHBondContact O-CB 3.27Å; P648-A651 PolarHBondContact O-N 3.15Å; P648-A651 VanDerWaalsContact O-N 3.14Å; P648-D652 VanDerWaalsContact O-CG 3.26Å; P648-D652 PolarHBondContact O-N 2.85Å
649K74.4Confident74Confident179 Ų17958.3 Ų58.378%0.77834%0.335SS*.Hα-helixtrans-66.4-22.9176.8-62.8-176.5-179.9179.90114.1F647F647-K649 VanDerWaalsContact C-N 3.29Å; F647-K649 PolarHBondContact O-N 3.09Å
650I78.6Confident73.6Confident18 Ų1860.8 Ų60.89%0.09235%0.349CS..Hα-helixtrans-86.3-35.8174.9-57.5-178.4000109I582 K585 L586 L642 F647 P648 D652 I653I582-I650 HydrophobicContact CG1-CG2 4.29Å; I582-I650 HydrophobicContact CG2-CG2 4.06Å; K585-I650 HydrophobicContact CB-CD1 4.19Å; K585-I650 HydrophobicContact CB-CG1 4.36Å; L586-I650 HydrophobicContact CD1-CD1 4.26Å; L642-I650 HydrophobicContact CD1-CG2 4.35Å; L642-I650 HydrophobicContact CD2-CG2 4.24Å; F647-I650 HydrophobicContact CB-CB 4.11Å; F647-I650 HydrophobicContact CB-CD1 4Å; F647-I650 HydrophobicContact CB-CG1 4.15Å; F647-I650 HydrophobicContact CD1-CD1 4.17Å; F647-I650 HydrophobicContact CG-CD1 4.18Å; F647-I650 PolarHBondContact O-N 2.95Å; P648-I650 PolarHBondContact O-N 3.33Å; I650-D652 VanDerWaalsContact C-N 3.3Å; I650-D652 PolarHBondContact O-N 3Å; I650-I653 HydrophobicContact CG2-CD1 4.27Å; I650-I653 WeakPolarHBondContact O-CB 3.31Å; I650-I653 WeakPolarHBondContact O-CD1 3.38Å; I650-I653 PolarHBondContact O-N 3.33Å
651A75.7Confident73.1Confident0 Ų058.7 Ų58.70%034%0.335CS..Hα-helixtrans-64-32.5173.800000113V639 L642 F647 P648 I653 L654V639-A651 HydrophobicContact CG1-CB 4.27Å; L642-A651 HydrophobicContact CB-CB 4.01Å; F647-A651 PolarHBondContact O-N 3.37Å; F647-A651 VanDerWaalsContact O-N 3.11Å; P648-A651 WeakPolarHBondContact O-CB 3.27Å; P648-A651 PolarHBondContact O-N 3.15Å; P648-A651 VanDerWaalsContact O-N 3.14Å; A651-I653 PolarHBondContact O-N 2.98Å; A651-L654 WeakPolarHBondContact O-CB 3.41Å; A651-L654 PolarHBondContact O-N 3.49Å; A651-L654 VanDerWaalsContact O-N 3.11Å
652D74.9Confident72.6Confident82 Ų8261.6 Ų61.644%0.43935%0.349SS..Hα-helixtrans-60.5-29.5177.1-67.9-29.7000112.9P648 I650 L654 N655 E656P648-D652 VanDerWaalsContact O-CG 3.26Å; P648-D652 PolarHBondContact O-N 2.85Å; I650-D652 VanDerWaalsContact C-N 3.3Å; I650-D652 PolarHBondContact O-N 3Å; D652-L654 PolarHBondContact O-N 3.41Å; D652-N655 PolarHBondContact O-N 3.35Å; D652-E656 PolarHBondContact O-N 3.06Å
653I72.9Confident72Confident23 Ų2365.7 Ų65.712%0.11837%0.373CS..Hα-helixtrans-64.1-33.9178.1-55.6162.2000111.1K585 I650 A651 N655 T657K585-I653 HydrophobicContact CD-CD1 3.27Å; I650-I653 HydrophobicContact CG2-CD1 4.27Å; I650-I653 WeakPolarHBondContact O-CB 3.31Å; I650-I653 WeakPolarHBondContact O-CD1 3.38Å; I650-I653 PolarHBondContact O-N 3.33Å; A651-I653 PolarHBondContact O-N 2.98Å; I653-N655 VanDerWaalsContact C-N 3.31Å; I653-T657 PolarHBondContact O-OG1 2.98Å
654L65.7Low71.3Confident3 Ų364.8 Ų64.82%0.01637%0.369CS..Hα-helixtrans-76.4-20.3177-75.4172.3000112.8Q578 I582 V635 L638 V639 L642 A651 D652Q578-L654 HydrophobicContact CB-CD2 4.04Å; Q578-L654 HydrophobicContact CG-CD2 4.26Å; I582-L654 HydrophobicContact CD1-CD1 3.65Å; I582-L654 HydrophobicContact CD1-CD2 3.74Å; I582-L654 HydrophobicContact CD1-CG 3.74Å; V635-L654 HydrophobicContact CG1-CB 3.87Å; V635-L654 HydrophobicContact CG1-CD2 4.19Å; V635-L654 HydrophobicContact CG1-CG 4.44Å; L638-L654 HydrophobicContact CB-CD1 4.24Å; L638-L654 HydrophobicContact CD2-CD1 3.9Å; L638-L654 HydrophobicContact CG-CD1 3.95Å; V639-L654 HydrophobicContact CG2-CB 3.62Å; V639-L654 HydrophobicContact CG2-CD1 3.71Å; V639-L654 HydrophobicContact CG2-CG 4.34Å; L642-L654 HydrophobicContact CD1-CD1 3.77Å; A651-L654 WeakPolarHBondContact O-CB 3.41Å; A651-L654 PolarHBondContact O-N 3.49Å; A651-L654 VanDerWaalsContact O-N 3.11Å; D652-L654 PolarHBondContact O-N 3.41Å
655N62.5Low70.6Confident110 Ų11064.9 Ų64.959%0.58836%0.358SS*.Hα-helixtrans-91.9-18.8177.2-75.5-25000113.1D652 I653 T657D652-N655 PolarHBondContact O-N 3.35Å; I653-N655 VanDerWaalsContact C-N 3.31Å; N655-T657 VanDerWaalsContact C-N 3.34Å
656E52.7Low69.8Low170 Ų17069.3 Ų69.379%0.79438%0.378SS*.  trans-84.1-2.3178.8-75.4-176.1167.600114D652D652-E656 PolarHBondContact O-N 3.06Å
657T44.4Very low69.2Low100 Ų10070.6 Ų70.661%0.61336%0.362SS*.  trans-128.50178.751.20000112.7K572 Q578 I653 N655K572-T657 PolarHBondContact NZ-O 2.99Å; K572-T657 PolarHBondContact NZ-OXT 3.35Å; Q578-T657 PolarHBondContact NE2-OG1 3.29Å; I653-T657 PolarHBondContact O-OG1 2.98Å; N655-T657 VanDerWaalsContact C-N 3.34Å

Retrieved 657 of 657 residues in 1548.9 ms (Link to these results)

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