A0A077ZI09_TRITR Loading...

RNA-directed DNA polymerase

AlphaFold DB , UniProt , Accession A0A077ZI09, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 354 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
1M39.7Very low64.5Low175 Ų17595.3 Ų95.386%0.86247%0.468SS*.  0105.30-79.3163.8135.800107.7I3 R42M1-I3 PolarHBondContact O-N 3.46Å; M1-R42 VanDerWaalsContact CE-CZ 3.46Å; M1-R42 VanDerWaalsContact CE-NE 3.29Å
2T41.4Very low65.9Low138 Ų13887.4 Ų87.485%0.84743%0.429SS*.  trans-79.7110.9173.330.30000108.5S4T2-S4 PolarHBondContact O-N 3.33Å
3I56.1Low67.1Low42 Ų4282.2 Ų82.222%0.21540%0.404CS..  trans-75.4114.5176.6-59.9179.1000107.1M1 N7 H8 F11 L283 A286M1-I3 PolarHBondContact O-N 3.46Å; I3-N7 HydrophobicContact CG2-CB 3.64Å; I3-H8 PolarHBondContact O-CE1 2.83Å; I3-H8 VanDerWaalsContact O-CE1 3.27Å; I3-F11 HydrophobicContact CG2-CD2 3.86Å; I3-F11 HydrophobicContact CG2-CE2 3.94Å; I3-L283 HydrophobicContact CD1-CD1 3.46Å; I3-L283 VanDerWaalsContact CD1-CD1 3.46Å; I3-A286 HydrophobicContact CD1-CB 4.04Å
4S57.7Low68.1Low63 Ų6380.4 Ų80.444%0.44140%0.4SS..  trans-57.2146.8172.9177.60000110.8T2 R6 N7 H8T2-S4 PolarHBondContact O-N 3.33Å; S4-R6 PolarHBondContact O-N 3.32Å; S4-R6 VanDerWaalsContact O-N 3.14Å; S4-N7 WeakPolarHBondContact O-CB 3.41Å; S4-N7 PolarHBondContact O-N 3.5Å; S4-H8 PolarHBondContact O-ND1 3.49Å; S4-H8 VanDerWaalsContact O-ND1 3.16Å
5S56.1Low69Low56 Ų5678.5 Ų78.539%0.39239%0.391SS..Hα-helixtrans-50.6-41.9-179.960.20000112N7 H8 Y301S5-N7 PolarHBondContact O-N 2.91Å; S5-N7 VanDerWaalsContact O-N 3.08Å; S5-H8 WeakPolarHBondContact CA-ND1 3.34Å; S5-H8 PolarHBondContact O-N 3.46Å; S5-H8 VanDerWaalsContact O-N 3.13Å; S5-H8 PolarHBondContact O-ND1 3.47Å; S5-Y301 PolarHBondContact O-OH 3.03Å
6R59.8Low69.5Low180 Ų18074.1 Ų74.168%0.67937%0.371SS*.Hα-helixtrans-58.8-21.8177.5-69-175.2176.7-175.2-2.1113.9S4S4-R6 PolarHBondContact O-N 3.32Å; S4-R6 VanDerWaalsContact O-N 3.14Å
7N74.8Confident69.9Low57 Ų5770.5 Ų70.531%0.30535%0.353SS..Hα-helixtrans-88.2-22.7-178.3-63.8-22.5000113I3 S4 S5 R9 K10 F11I3-N7 HydrophobicContact CG2-CB 3.64Å; S4-N7 WeakPolarHBondContact O-CB 3.41Å; S4-N7 PolarHBondContact O-N 3.5Å; S5-N7 PolarHBondContact O-N 2.91Å; S5-N7 VanDerWaalsContact O-N 3.08Å; N7-R9 PolarHBondContact O-N 3.29Å; N7-K10 PolarHBondContact O-N 3.48Å; N7-F11 HydrophobicContact CB-CD2 3.77Å; N7-F11 HydrophobicContact CB-CE2 3.66Å; N7-F11 WeakPolarHBondContact O-CD2 3.3Å; N7-F11 PolarHBondContact O-N 3Å
8H78.4Confident69.8Low9 Ų968 Ų684%0.04234%0.341CS..Hα-helixtrans-60.9-45.9-175.9-69.382.6000111.8I3 S4 S5 K10 F11 I12 I297 Y301I3-H8 PolarHBondContact O-CE1 2.83Å; I3-H8 VanDerWaalsContact O-CE1 3.27Å; S4-H8 PolarHBondContact O-ND1 3.49Å; S4-H8 VanDerWaalsContact O-ND1 3.16Å; S5-H8 WeakPolarHBondContact CA-ND1 3.34Å; S5-H8 PolarHBondContact O-N 3.46Å; S5-H8 VanDerWaalsContact O-N 3.13Å; S5-H8 PolarHBondContact O-ND1 3.47Å; H8-K10 PolarHBondContact O-N 3.17Å; H8-F11 PolarHBondContact O-N 3.46Å; H8-I12 WeakPolarHBondContact O-CB 3.3Å; H8-I12 WeakPolarHBondContact O-CD1 3.19Å; H8-I12 WeakPolarHBondContact O-CG1 3.41Å; H8-I12 PolarHBondContact O-N 2.96Å; H8-I297 HydrophobicContact CB-CG2 4.32Å; H8-Y301 HydrophobicContact CB-CD2 3.9Å; H8-Y301 HydrophobicContact CB-CE2 3.85Å
9R80.9Confident69.6Low109 Ų10965.7 Ų65.741%0.41133%0.334SS..Hα-helixtrans-57.9-47.4176.9-170.8179.3177.3-162.5-0.2111.8N7 I12 I13 I270 Y301N7-R9 PolarHBondContact O-N 3.29Å; R9-I12 PolarHBondContact O-N 3.47Å; R9-I13 HydrophobicContact CG-CD1 4.11Å; R9-I13 VanDerWaalsContact O-CG1 3.3Å; R9-I13 WeakPolarHBondContact O-CG1 3.24Å; R9-I13 PolarHBondContact O-N 3.39Å; R9-I270 HydrophobicContact CG-CD1 4.34Å; R9-Y301 HydrophobicContact CB-CD1 3.69Å; R9-Y301 HydrophobicContact CB-CE1 3.75Å; R9-Y301 HydrophobicContact CB-CG 4.35Å; R9-Y301 HydrophobicContact CG-CD1 4.06Å; R9-Y301 HydrophobicContact CG-CE1 4.4Å
10K81.6Confident69Low131 Ų13164.4 Ų64.457%0.5734%0.337SS*.Hα-helixtrans-61.1-47.6179-69.4-176.2177.7-177.70110.8N7 H8 I12 I13 V14N7-K10 PolarHBondContact O-N 3.48Å; H8-K10 PolarHBondContact O-N 3.17Å; K10-I12 PolarHBondContact O-N 3.49Å; K10-I13 PolarHBondContact O-N 2.92Å; K10-V14 VanDerWaalsContact O-CG2 3.26Å; K10-V14 WeakPolarHBondContact O-CG2 3.38Å; K10-V14 PolarHBondContact O-N 2.85Å
11F82.8Confident68Low88 Ų8865.2 Ų65.239%0.38634%0.338SS..Hα-helixtrans-62.7-41.8178.1-78.4-63000112.6I3 N7 H8 V14 L15 L283I3-F11 HydrophobicContact CG2-CD2 3.86Å; I3-F11 HydrophobicContact CG2-CE2 3.94Å; N7-F11 HydrophobicContact CB-CD2 3.77Å; N7-F11 HydrophobicContact CB-CE2 3.66Å; N7-F11 WeakPolarHBondContact O-CD2 3.3Å; N7-F11 PolarHBondContact O-N 3Å; H8-F11 PolarHBondContact O-N 3.46Å; F11-V14 PolarHBondContact O-N 2.68Å; F11-L15 WeakPolarHBondContact O-CB 3.44Å; F11-L15 VanDerWaalsContact O-CG 3.31Å; F11-L15 WeakPolarHBondContact O-CG 3.36Å; F11-L15 PolarHBondContact O-N 3.25Å; F11-L283 HydrophobicContact CB-CD1 4.31Å; F11-L283 HydrophobicContact CB-CD2 3.68Å
12I82.2Confident68.4Low1 Ų159.7 Ų59.71%0.00531%0.312CS..Hα-helixtrans-64.8-42.2177.8-66162000110.8H8 R9 K10 V14 L15 C16 I270 V272 V280 L283 I302H8-I12 WeakPolarHBondContact O-CB 3.3Å; H8-I12 WeakPolarHBondContact O-CD1 3.19Å; H8-I12 WeakPolarHBondContact O-CG1 3.41Å; H8-I12 PolarHBondContact O-N 2.96Å; R9-I12 PolarHBondContact O-N 3.47Å; K10-I12 PolarHBondContact O-N 3.49Å; I12-V14 VanDerWaalsContact C-N 3.34Å; I12-V14 PolarHBondContact O-N 2.87Å; I12-L15 PolarHBondContact O-N 2.86Å; I12-C16 WeakPolarHBondContact O-CB 3.41Å; I12-C16 PolarHBondContact O-N 3.02Å; I12-C16 PolarHBondContact O-SG 2.95Å; I12-C16 VanDerWaalsContact O-SG 3.33Å; I12-I270 HydrophobicContact CB-CD1 4.16Å; I12-I270 HydrophobicContact CG2-CB 4.42Å; I12-I270 HydrophobicContact CG2-CD1 3.73Å; I12-I270 HydrophobicContact CG2-CG2 4.47Å; I12-V272 HydrophobicContact CG2-CG2 4.21Å; I12-V280 HydrophobicContact CD1-CG1 4.45Å; I12-V280 HydrophobicContact CG1-CG1 4.31Å; I12-L283 HydrophobicContact CG1-CD2 3.88Å; I12-I302 HydrophobicContact CD1-CG2 3.82Å; I12-I302 HydrophobicContact CG2-CG2 4.35Å
13I81Confident68.8Low20 Ų2057.3 Ų57.310%0.10331%0.307CS..Hα-helixtrans-61-45.3174.3-67.2171.3000110.4R9 K10 L15 C16 T17 I261 I270R9-I13 HydrophobicContact CG-CD1 4.11Å; R9-I13 VanDerWaalsContact O-CG1 3.3Å; R9-I13 WeakPolarHBondContact O-CG1 3.24Å; R9-I13 PolarHBondContact O-N 3.39Å; K10-I13 PolarHBondContact O-N 2.92Å; I13-L15 PolarHBondContact O-N 3.34Å; I13-C16 PolarHBondContact O-N 3.41Å; I13-T17 HydrophobicContact CG2-CG2 4.2Å; I13-T17 WeakPolarHBondContact O-CB 3.34Å; I13-T17 WeakPolarHBondContact O-CG2 3.31Å; I13-T17 PolarHBondContact O-N 3.48Å; I13-T17 PolarHBondContact O-OG1 2.95Å; I13-I261 HydrophobicContact CG2-CD1 4.19Å; I13-I270 HydrophobicContact CD1-CD1 4.21Å; I13-I270 HydrophobicContact CG1-CD1 3.44Å; I13-I270 VanDerWaalsContact CG1-CD1 3.44Å; I13-I270 HydrophobicContact CG1-CG1 4.35Å
14V81.5Confident68.5Low57 Ų5763.8 Ų63.835%0.34533%0.328SS..Hα-helixtrans-60.3-46.9177.9172.30000110.8K10 F11 I12 C16 T17 D18K10-V14 VanDerWaalsContact O-CG2 3.26Å; K10-V14 WeakPolarHBondContact O-CG2 3.38Å; K10-V14 PolarHBondContact O-N 2.85Å; F11-V14 PolarHBondContact O-N 2.68Å; I12-V14 VanDerWaalsContact C-N 3.34Å; I12-V14 PolarHBondContact O-N 2.87Å; V14-C16 PolarHBondContact O-N 3.42Å; V14-T17 VanDerWaalsContact CA-OG1 3.32Å; V14-T17 WeakPolarHBondContact CA-OG1 2.9Å; V14-T17 PolarHBondContact O-N 3.25Å; V14-T17 PolarHBondContact O-OG1 3.01Å; V14-D18 WeakPolarHBondContact CG1-OD2 3.35Å; V14-D18 WeakPolarHBondContact O-CB 3.46Å; V14-D18 PolarHBondContact O-N 3.44Å
15L81.1Confident67.8Low51 Ų5166.6 Ų66.627%0.26733%0.333SS..Hα-helixtrans-60.4-45.4176.3-71.6174.1000112.3F11 I12 I13 T17 D18 A19 V280 L283F11-L15 WeakPolarHBondContact O-CB 3.44Å; F11-L15 VanDerWaalsContact O-CG 3.31Å; F11-L15 WeakPolarHBondContact O-CG 3.36Å; F11-L15 PolarHBondContact O-N 3.25Å; I12-L15 PolarHBondContact O-N 2.86Å; I13-L15 PolarHBondContact O-N 3.34Å; L15-T17 VanDerWaalsContact C-N 3.35Å; L15-T17 PolarHBondContact O-N 2.8Å; L15-D18 PolarHBondContact O-N 3.47Å; L15-A19 PolarHBondContact O-N 2.95Å; L15-V280 HydrophobicContact CD1-CG2 4.41Å; L15-L283 HydrophobicContact CD1-CD2 3.92Å
16C77.6Confident67.2Low9 Ų975 Ų756%0.06136%0.356CS..Hα-helixtrans-63.6-40.5178.6-73.20000112.6I12 I13 V14 G20 C263 L276I12-C16 WeakPolarHBondContact O-CB 3.41Å; I12-C16 PolarHBondContact O-N 3.02Å; I12-C16 PolarHBondContact O-SG 2.95Å; I12-C16 VanDerWaalsContact O-SG 3.33Å; I13-C16 PolarHBondContact O-N 3.41Å; V14-C16 PolarHBondContact O-N 3.42Å; C16-G20 PolarHBondContact O-N 3.04Å; C16-C263 WeakPolarHBondContact CB-SG 3.31Å; C16-L276 VanDerWaalsContact CA-CD1 3.46Å; C16-L276 HydrophobicContact CB-CD1 4.25Å
17T75Confident66.8Low12 Ų1273.3 Ų73.37%0.07436%0.356CS..Hα-helixtrans-70.7-41.1177.948.50000112.1I13 V14 L15 A19 G20 F21 R32 I261I13-T17 HydrophobicContact CG2-CG2 4.2Å; I13-T17 WeakPolarHBondContact O-CB 3.34Å; I13-T17 WeakPolarHBondContact O-CG2 3.31Å; I13-T17 PolarHBondContact O-N 3.48Å; I13-T17 PolarHBondContact O-OG1 2.95Å; V14-T17 VanDerWaalsContact CA-OG1 3.32Å; V14-T17 WeakPolarHBondContact CA-OG1 2.9Å; V14-T17 PolarHBondContact O-N 3.25Å; V14-T17 PolarHBondContact O-OG1 3.01Å; L15-T17 VanDerWaalsContact C-N 3.35Å; L15-T17 PolarHBondContact O-N 2.8Å; T17-A19 VanDerWaalsContact C-N 3.33Å; T17-A19 PolarHBondContact O-N 3.12Å; T17-G20 PolarHBondContact O-N 3.44Å; T17-F21 WeakPolarHBondContact O-CB 3.24Å; T17-F21 PolarHBondContact O-N 3.12Å; T17-R32 PolarHBondContact OG1-NH2 2.91Å; T17-I261 HydrophobicContact CG2-CB 3.73Å; T17-I261 HydrophobicContact CG2-CG2 3.31Å; T17-I261 WeakPolarHBondContact CG2-O 3.32Å
18D69.6Low65.9Low26 Ų2676.5 Ų76.514%0.13937%0.367CS..Hα-helixtrans-60.1-44.4174.7-72.2-21.6000110.7V14 L15 F21 N22 R32V14-D18 WeakPolarHBondContact CG1-OD2 3.35Å; V14-D18 WeakPolarHBondContact O-CB 3.46Å; V14-D18 PolarHBondContact O-N 3.44Å; L15-D18 PolarHBondContact O-N 3.47Å; D18-F21 PolarHBondContact O-N 2.95Å; D18-N22 WeakPolarHBondContact O-CB 3.25Å; D18-N22 PolarHBondContact O-N 3.09Å; D18-N22 PolarHBondContact O-ND2 2.89Å; D18-R32 IonicContact OD1-CZ 3.04Å; D18-R32 IonicContact OD1-NE 2.64Å; D18-R32 PolarHBondContact OD1-NE 3.37Å; D18-R32 IonicContact OD1-NH2 2.7Å; D18-R32 PolarHBondContact OD1-NH2 2.84Å
19A65.9Low65.4Low24 Ų2481.6 Ų81.620%0.19839%0.39CS..Hα-helixtrans-73-37.3179.300000113.7L15 T17 F21 N22 A23 L276L15-A19 PolarHBondContact O-N 2.95Å; T17-A19 VanDerWaalsContact C-N 3.33Å; T17-A19 PolarHBondContact O-N 3.12Å; A19-F21 PolarHBondContact O-N 3.05Å; A19-N22 PolarHBondContact O-N 3.4Å; A19-A23 VanDerWaalsContact O-CB 3.24Å; A19-A23 WeakPolarHBondContact O-CB 3.44Å; A19-A23 PolarHBondContact O-N 3.49Å; A19-L276 HydrophobicContact CB-CD1 3.33Å; A19-L276 HydrophobicContact CB-CD2 3.36Å; A19-L276 HydrophobicContact CB-CG 3.49Å; A19-L276 VanDerWaalsContact CB-CG 3.49Å
20G57.2Low65.4Low39 Ų3981.6 Ų81.640%0.40240%0.395SS..Hα-helixtrans-60.5-36.4173.500000111.8C16 T17C16-G20 PolarHBondContact O-N 3.04Å; T17-G20 PolarHBondContact O-N 3.44Å
21F46.8Very low65.4Low83 Ų8377.6 Ų77.636%0.36438%0.383SS..Hα-helixtrans-74.9-46.3173.7-164.2-95.6000112.1T17 D18 A19 A23 R24 K25 H29T17-F21 WeakPolarHBondContact O-CB 3.24Å; T17-F21 PolarHBondContact O-N 3.12Å; D18-F21 PolarHBondContact O-N 2.95Å; A19-F21 PolarHBondContact O-N 3.05Å; F21-A23 VanDerWaalsContact C-N 3.3Å; F21-A23 PolarHBondContact O-N 3.49Å; F21-R24 PolarHBondContact O-N 2.81Å; F21-R24 VanDerWaalsContact O-N 3.15Å; F21-K25 PolarHBondContact O-N 3.16Å; F21-H29 HydrophobicContact CE1-CB 4.01Å; F21-H29 HydrophobicContact CZ-CB 4.05Å
22N48.5Very low65.2Low59 Ų5977.3 Ų77.332%0.31638%0.38SS..Hα-helixtrans-65.9-29.1-178.6-73.3-26.2000112.9D18 A19D18-N22 WeakPolarHBondContact O-CB 3.25Å; D18-N22 PolarHBondContact O-N 3.09Å; D18-N22 PolarHBondContact O-ND2 2.89Å; A19-N22 PolarHBondContact O-N 3.4Å
23A51.2Low65.4Low88 Ų8879.5 Ų79.573%0.72739%0.391SS*.Hα-helixtrans-72.7-29175.500000112.7A19 F21A19-A23 VanDerWaalsContact O-CB 3.24Å; A19-A23 WeakPolarHBondContact O-CB 3.44Å; A19-A23 PolarHBondContact O-N 3.49Å; F21-A23 VanDerWaalsContact C-N 3.3Å; F21-A23 PolarHBondContact O-N 3.49Å
24R49Very low65.8Low178 Ų17881.9 Ų81.967%0.67240%0.399SS*.Hα-helixtrans-97.8-23.1-180-68-175.5-166.8-156.6-3.6113.6F21 E228F21-R24 PolarHBondContact O-N 2.81Å; F21-R24 VanDerWaalsContact O-N 3.15Å; R24-E228 IonicContact NH2-OE1 3.33Å; R24-E228 PolarHBondContact NH2-OE1 3.45Å; R24-E228 IonicContact NH2-OE2 3.54Å
25K42.2Very low66.1Low121 Ų12182.9 Ų82.953%0.52640%0.403SS..  trans-147.2109174.6-70.2-174.2178.9179.60109.6F21 Q27F21-K25 PolarHBondContact O-N 3.16Å; K25-Q27 HydrophobicContact CB-CB 4.46Å; K25-Q27 PolarHBondContact O-N 3.39Å
26R43.5Very low66.4Low234 Ų23485.6 Ų85.688%0.88341%0.414SS*.  trans-6617.9161.5-90.1-174.4179.3178.50.2113.4
27Q52.3Low66.9Low144 Ų14487.1 Ų87.167%0.67342%0.421SS*.  trans-95.293.8167.5-81.6157.5-20.300106.7K25 H29K25-Q27 HydrophobicContact CB-CB 4.46Å; K25-Q27 PolarHBondContact O-N 3.39Å; Q27-H29 PolarHBondContact O-N 2.95Å
28F54.8Low67.7Low124 Ų12487.1 Ų87.154%0.54442%0.421SS..  trans-52.9110.8166.3-66.9-82.5000107.8H30 L33F28-H30 PolarHBondContact O-N 2.89Å; F28-H30 VanDerWaalsContact O-N 3.08Å; F28-L33 HydrophobicContact CB-CD1 3.73Å; F28-L33 HydrophobicContact CB-CG 4.23Å; F28-L33 HydrophobicContact CD1-CD2 4.35Å; F28-L33 HydrophobicContact CG-CD1 4.39Å
29H69Low68.6Low115 Ų11594.1 Ų94.153%0.53245%0.447SS..  trans-70113.2-179.6-161.2-92.1000107.3F21 Q27 S31 R32 L33F21-H29 HydrophobicContact CE1-CB 4.01Å; F21-H29 HydrophobicContact CZ-CB 4.05Å; Q27-H29 PolarHBondContact O-N 2.95Å; H29-S31 PolarHBondContact CE1-OG 3.5Å; H29-S31 WeakPolarHBondContact ND1-CB 3.29Å; H29-S31 PolarHBondContact ND1-OG 3.3Å; H29-S31 PolarHBondContact O-N 2.8Å; H29-R32 PolarHBondContact O-N 2.89Å; H29-L33 PolarHBondContact O-N 2.93Å
30H80.2Confident69.6Low109 Ų10995.5 Ų95.551%0.50546%0.464SS..Hα-helixtrans-51.5-28.4-175.5-77.7-71.2000112.9F28 R32 R34 F58F28-H30 PolarHBondContact O-N 2.89Å; F28-H30 VanDerWaalsContact O-N 3.08Å; H30-R32 VanDerWaalsContact C-N 3.34Å; H30-R32 PolarHBondContact O-N 3.39Å; H30-R34 VanDerWaalsContact O-CB 3.28Å; H30-R34 WeakPolarHBondContact O-CB 3.38Å; H30-R34 PolarHBondContact O-N 3.2Å; H30-F58 HydrophobicContact CB-CB 4.04Å; H30-F58 AromaticContact ND1-CD1 3.76Å; H30-F58 WeakPolarHBondContact O-CB 3.27Å
31S81.4Confident71.2Confident47 Ų4795.5 Ų95.533%0.32945%0.454SS..Hα-helixtrans-62.9-37.7175.676.60000113.3H29 R34 D35H29-S31 PolarHBondContact CE1-OG 3.5Å; H29-S31 WeakPolarHBondContact ND1-CB 3.29Å; H29-S31 PolarHBondContact ND1-OG 3.3Å; H29-S31 PolarHBondContact O-N 2.8Å; S31-R34 WeakPolarHBondContact O-CB 3.41Å; S31-R34 PolarHBondContact O-N 2.92Å; S31-D35 PolarHBondContact O-N 3.45Å
32R79.4Confident73.2Confident82 Ų82101.2 Ų101.231%0.30947%0.473SS..Hα-helixtrans-77.7-39.9-177.2-171168.1176.3122.2-1.2111.4T17 D18 H29 H30 R34 D35 Q36T17-R32 PolarHBondContact OG1-NH2 2.91Å; D18-R32 IonicContact OD1-CZ 3.04Å; D18-R32 IonicContact OD1-NE 2.64Å; D18-R32 PolarHBondContact OD1-NE 3.37Å; D18-R32 IonicContact OD1-NH2 2.7Å; D18-R32 PolarHBondContact OD1-NH2 2.84Å; H29-R32 PolarHBondContact O-N 2.89Å; H30-R32 VanDerWaalsContact C-N 3.34Å; H30-R32 PolarHBondContact O-N 3.39Å; R32-R34 PolarHBondContact O-N 3.2Å; R32-D35 PolarHBondContact O-N 3.4Å; R32-Q36 WeakPolarHBondContact O-CB 3.5Å; R32-Q36 PolarHBondContact O-N 3.29Å
33L86.1Confident75.2Confident47 Ų47100.9 Ų100.925%0.24647%0.472CS..Hα-helixtrans-59.4-39.8170.4-69-179.4000111.1F28 H29 L37 F58F28-L33 HydrophobicContact CB-CD1 3.73Å; F28-L33 HydrophobicContact CB-CG 4.23Å; F28-L33 HydrophobicContact CD1-CD2 4.35Å; F28-L33 HydrophobicContact CG-CD1 4.39Å; H29-L33 PolarHBondContact O-N 2.93Å; L33-L37 VanDerWaalsContact O-CB 3.27Å; L33-L37 WeakPolarHBondContact O-CB 3.4Å; L33-L37 PolarHBondContact O-N 3.05Å; L33-F58 HydrophobicContact CB-CD2 3.49Å; L33-F58 VanDerWaalsContact CB-CD2 3.49Å; L33-F58 HydrophobicContact CB-CE2 3.64Å; L33-F58 HydrophobicContact CB-CG 4.01Å; L33-F58 HydrophobicContact CB-CZ 4.27Å; L33-F58 HydrophobicContact CD1-CE1 4.37Å; L33-F58 HydrophobicContact CD1-CZ 4.36Å
34R90Very high77.1Confident70 Ų70102.2 Ų102.226%0.26446%0.463SS..Hα-helixtrans-61-49.8173.1175.7-156.969.2165.31.1111.3H30 S31 R32 Q36 L37 V38 L56 F58 A61H30-R34 VanDerWaalsContact O-CB 3.28Å; H30-R34 WeakPolarHBondContact O-CB 3.38Å; H30-R34 PolarHBondContact O-N 3.2Å; S31-R34 WeakPolarHBondContact O-CB 3.41Å; S31-R34 PolarHBondContact O-N 2.92Å; R32-R34 PolarHBondContact O-N 3.2Å; R34-Q36 VanDerWaalsContact C-N 3.35Å; R34-Q36 PolarHBondContact O-N 3.23Å; R34-L37 WeakPolarHBondContact O-CB 3.49Å; R34-L37 PolarHBondContact O-N 3.47Å; R34-V38 VanDerWaalsContact O-CG2 3.3Å; R34-V38 WeakPolarHBondContact O-CG2 3.35Å; R34-V38 PolarHBondContact O-N 2.96Å; R34-L56 WeakPolarHBondContact CD-O 3.49Å; R34-L56 HydrophobicContact CG-CD2 3.92Å; R34-L56 HydrophobicContact CG-CG 4.11Å; R34-L56 PolarHBondContact NH1-O 2.88Å; R34-F58 HydrophobicContact CB-CB 4.21Å; R34-A61 HydrophobicContact CG-CB 4.47Å
35D87.9Confident79.2Confident79 Ų7998 Ų9842%0.42246%0.457SS..Hα-helixtrans-65.7-39.3-177.2-62.8-11.1000111.7S31 R32 V38 Y39S31-D35 PolarHBondContact O-N 3.45Å; R32-D35 PolarHBondContact O-N 3.4Å; D35-V38 PolarHBondContact O-N 3.42Å; D35-Y39 WeakPolarHBondContact O-CB 3.47Å; D35-Y39 PolarHBondContact O-N 3.4Å
36Q86.1Confident81.5Confident108 Ų10892.7 Ų92.751%0.50543%0.434SS..Hα-helixtrans-65.8-39.7175-174.3174.7-200112.1R32 R34 G40R32-Q36 WeakPolarHBondContact O-CB 3.5Å; R32-Q36 PolarHBondContact O-N 3.29Å; R34-Q36 VanDerWaalsContact C-N 3.35Å; R34-Q36 PolarHBondContact O-N 3.23Å; Q36-G40 WeakPolarHBondContact O-CA 3.28Å; Q36-G40 PolarHBondContact O-N 3.02Å
37L90.1Very high83.9Confident40 Ų4084 Ų8421%0.20940%0.403CS..Hα-helixtrans-60.9-53.7172.7-179.668.2000110.1L33 R34 Y39 G40 L41 F58 A61 L62L33-L37 VanDerWaalsContact O-CB 3.27Å; L33-L37 WeakPolarHBondContact O-CB 3.4Å; L33-L37 PolarHBondContact O-N 3.05Å; R34-L37 WeakPolarHBondContact O-CB 3.49Å; R34-L37 PolarHBondContact O-N 3.47Å; L37-Y39 PolarHBondContact O-N 3.08Å; L37-G40 PolarHBondContact O-N 2.97Å; L37-L41 WeakPolarHBondContact O-CG 3.48Å; L37-L41 PolarHBondContact O-N 3.42Å; L37-L41 VanDerWaalsContact O-N 3.12Å; L37-F58 HydrophobicContact CD2-CE2 4.33Å; L37-A61 HydrophobicContact CD2-CB 3.81Å; L37-L62 HydrophobicContact CD2-CB 4.35Å
38V90.9Very high85.9Confident13 Ų1384.5 Ų84.58%0.07940%0.399CS..Hα-helixtrans-60.2-44.8-177.8174.90000111.6R34 D35 Q47 L50 L51 L56R34-V38 VanDerWaalsContact O-CG2 3.3Å; R34-V38 WeakPolarHBondContact O-CG2 3.35Å; R34-V38 PolarHBondContact O-N 2.96Å; D35-V38 PolarHBondContact O-N 3.42Å; V38-Q47 HydrophobicContact CG1-CG 4.17Å; V38-Q47 PolarHBondContact O-NE2 3.23Å; V38-L50 HydrophobicContact CG2-CB 4.29Å; V38-L50 HydrophobicContact CG2-CD1 4.28Å; V38-L51 HydrophobicContact CG1-CD2 3.82Å; V38-L51 HydrophobicContact CG1-CG 3.98Å; V38-L56 HydrophobicContact CG2-CD2 3.68Å
39Y88.9Confident87.7Confident172 Ų17283.1 Ų83.168%0.67540%0.395SS*.Hα-helixtrans-71.8-30.2178.7-171.5-95000112.8D35 L37D35-Y39 WeakPolarHBondContact O-CB 3.47Å; D35-Y39 PolarHBondContact O-N 3.4Å; L37-Y39 PolarHBondContact O-N 3.08Å
40G87.3Confident88.8Confident54 Ų5477.7 Ų77.756%0.55737%0.369SS*.Hα-helixtrans-81.7-13.9-17800000115.4Q36 L37Q36-G40 WeakPolarHBondContact O-CA 3.28Å; Q36-G40 PolarHBondContact O-N 3.02Å; L37-G40 PolarHBondContact O-N 2.97Å
41L89.9Confident89.4Confident38 Ų3878.3 Ų78.320%0.19938%0.376CS..  trans-66.9130.6177.9-75.4169000111.4L37 L46 L50L37-L41 WeakPolarHBondContact O-CG 3.48Å; L37-L41 PolarHBondContact O-N 3.42Å; L37-L41 VanDerWaalsContact O-N 3.12Å; L41-L46 HydrophobicContact CD1-CD2 3.94Å; L41-L46 HydrophobicContact CD1-CG 4.08Å; L41-L46 HydrophobicContact CD2-CD2 4.08Å; L41-L50 HydrophobicContact CD1-CD1 3.24Å
42R88.8Confident89.9Confident203 Ų20386.7 Ų86.777%0.76640%0.4SS*.SBendtrans-79.4-28.1177.5-57.1-178.6-159.4173.35.7112.6M1 Q44M1-R42 VanDerWaalsContact CE-CZ 3.46Å; M1-R42 VanDerWaalsContact CE-NE 3.29Å; R42-Q44 PolarHBondContact O-N 3.44Å
43D90.3Very high90.5Very high53 Ų5386 Ų8628%0.28341%0.405SS..  trans-78.8108.2179.5-177.30.3000110.4T45 L46 Q47D43-T45 VanDerWaalsContact CG-OG1 3.28Å; D43-T45 PolarHBondContact O-N 3.37Å; D43-T45 WeakPolarHBondContact OD1-CB 3.3Å; D43-T45 PolarHBondContact OD1-N 2.73Å; D43-T45 PolarHBondContact OD1-OG1 2.96Å; D43-T45 PolarHBondContact OD2-OG1 2.93Å; D43-L46 HydrophobicContact CB-CB 4.1Å; D43-Q47 WeakPolarHBondContact O-CB 3.47Å; D43-Q47 PolarHBondContact O-N 2.91Å
44Q91.3Very high90.4Very high116 Ų11689.6 Ų89.654%0.54243%0.434SS..Hα-helixtrans-66.4-26.7179.8-64.9-177.47.800112.8R42 R48R42-Q44 PolarHBondContact O-N 3.44Å; Q44-R48 VanDerWaalsContact O-CG 3.29Å; Q44-R48 WeakPolarHBondContact O-CG 3.46Å; Q44-R48 PolarHBondContact O-N 3.24Å; Q44-R48 VanDerWaalsContact OE1-NH2 3.11Å
45T92.2Very high90.4Very high89 Ų8991.7 Ų91.755%0.54645%0.454SS..Hα-helixtrans-71.7-48.8179.761.30000110.4D43 Q47 R48 Q49D43-T45 VanDerWaalsContact CG-OG1 3.28Å; D43-T45 PolarHBondContact O-N 3.37Å; D43-T45 WeakPolarHBondContact OD1-CB 3.3Å; D43-T45 PolarHBondContact OD1-N 2.73Å; D43-T45 PolarHBondContact OD1-OG1 2.96Å; D43-T45 PolarHBondContact OD2-OG1 2.93Å; T45-Q47 VanDerWaalsContact C-N 3.33Å; T45-Q47 PolarHBondContact O-N 2.96Å; T45-R48 PolarHBondContact O-N 2.64Å; T45-Q49 PolarHBondContact O-N 3.29Å
46L92.4Very high90.5Very high9 Ų988.9 Ų88.95%0.04744%0.439CS..Hα-helixtrans-60.7-40.4172.8-179.260.4000112L41 D43 R48 Q49 L50 L64 A65 T68L41-L46 HydrophobicContact CD1-CD2 3.94Å; L41-L46 HydrophobicContact CD1-CG 4.08Å; L41-L46 HydrophobicContact CD2-CD2 4.08Å; D43-L46 HydrophobicContact CB-CB 4.1Å; L46-R48 PolarHBondContact O-N 3.27Å; L46-Q49 PolarHBondContact O-N 3.47Å; L46-L50 HydrophobicContact CD1-CD1 4.36Å; L46-L50 HydrophobicContact CD1-CG 4.34Å; L46-L50 HydrophobicContact CG-CD1 4.12Å; L46-L50 WeakPolarHBondContact O-CG 3.48Å; L46-L50 PolarHBondContact O-N 3.44Å; L46-L64 HydrophobicContact CD1-CD2 3.9Å; L46-L64 HydrophobicContact CD1-CG 4.35Å; L46-A65 HydrophobicContact CD2-CB 4.01Å; L46-T68 HydrophobicContact CD1-CG2 4.09Å; L46-T68 WeakPolarHBondContact CD1-OG1 3.32Å; L46-T68 HydrophobicContact CD2-CG2 4.43Å
47Q93.2Very high90.8Very high51 Ų5187.1 Ų87.124%0.23844%0.436CS..Hα-helixtrans-60.8-46176.5-172.9177.753.200111.9V38 D43 T45 Q49 L50 L51V38-Q47 HydrophobicContact CG1-CG 4.17Å; V38-Q47 PolarHBondContact O-NE2 3.23Å; D43-Q47 WeakPolarHBondContact O-CB 3.47Å; D43-Q47 PolarHBondContact O-N 2.91Å; T45-Q47 VanDerWaalsContact C-N 3.33Å; T45-Q47 PolarHBondContact O-N 2.96Å; Q47-Q49 VanDerWaalsContact C-N 3.33Å; Q47-Q49 PolarHBondContact O-N 3.05Å; Q47-L50 PolarHBondContact O-N 3Å; Q47-L51 HydrophobicContact CG-CD1 4.26Å; Q47-L51 VanDerWaalsContact O-CG 3.32Å; Q47-L51 WeakPolarHBondContact O-CG 3.48Å; Q47-L51 PolarHBondContact O-N 3.49Å
48R93Very high90.9Very high155 Ų15587.1 Ų87.159%0.58543%0.434SS*.Hα-helixtrans-63-38.9174.8-71.6177-162.7121.67.8111.9Q44 T45 L46 L51 R52Q44-R48 VanDerWaalsContact O-CG 3.29Å; Q44-R48 WeakPolarHBondContact O-CG 3.46Å; Q44-R48 PolarHBondContact O-N 3.24Å; Q44-R48 VanDerWaalsContact OE1-NH2 3.11Å; T45-R48 PolarHBondContact O-N 2.64Å; L46-R48 PolarHBondContact O-N 3.27Å; R48-L51 PolarHBondContact O-N 2.9Å; R48-R52 WeakPolarHBondContact O-CB 3.39Å; R48-R52 PolarHBondContact O-N 3.37Å
49Q92.6Very high91Very high96 Ų9690.8 Ų90.845%0.44945%0.453SS..Hα-helixtrans-64.6-43.4177.8-175.5178.2-15.400111.8T45 L46 Q47 R52 L64T45-Q49 PolarHBondContact O-N 3.29Å; L46-Q49 PolarHBondContact O-N 3.47Å; Q47-Q49 VanDerWaalsContact C-N 3.33Å; Q47-Q49 PolarHBondContact O-N 3.05Å; Q49-R52 WeakPolarHBondContact O-CB 3.39Å; Q49-R52 PolarHBondContact O-N 3.05Å; Q49-L64 HydrophobicContact CG-CD2 4.18Å
50L93.2Very high91.2Very high0 Ų085 Ų850%044%0.438CS..Hα-helixtrans-62.9-41.9175.6-74.7167.4000111.8V38 L41 L46 Q47 R52 V53 L56 A61 L64V38-L50 HydrophobicContact CG2-CB 4.29Å; V38-L50 HydrophobicContact CG2-CD1 4.28Å; L41-L50 HydrophobicContact CD1-CD1 3.24Å; L46-L50 HydrophobicContact CD1-CD1 4.36Å; L46-L50 HydrophobicContact CD1-CG 4.34Å; L46-L50 HydrophobicContact CG-CD1 4.12Å; L46-L50 WeakPolarHBondContact O-CG 3.48Å; L46-L50 PolarHBondContact O-N 3.44Å; Q47-L50 PolarHBondContact O-N 3Å; L50-R52 PolarHBondContact O-N 2.93Å; L50-V53 PolarHBondContact O-N 2.93Å; L50-L56 HydrophobicContact CB-CD2 4.07Å; L50-L56 HydrophobicContact CD2-CD1 3.74Å; L50-L56 HydrophobicContact CD2-CD2 4.15Å; L50-A61 HydrophobicContact CD2-CB 3.9Å; L50-L64 HydrophobicContact CD2-CB 4.1Å; L50-L64 HydrophobicContact CD2-CD2 3.42Å; L50-L64 VanDerWaalsContact CD2-CD2 3.42Å; L50-L64 HydrophobicContact CD2-CG 4.38Å; L50-L64 HydrophobicContact CG-CD2 3.85Å
51L91.7Very high91.5Very high122 Ų12282.4 Ų82.464%0.63941%0.411SS*.Hα-helixtrans-70.3-18.3177.4-69.9173.3000113.7V38 Q47 R48 V53V38-L51 HydrophobicContact CG1-CD2 3.82Å; V38-L51 HydrophobicContact CG1-CG 3.98Å; Q47-L51 HydrophobicContact CG-CD1 4.26Å; Q47-L51 VanDerWaalsContact O-CG 3.32Å; Q47-L51 WeakPolarHBondContact O-CG 3.48Å; Q47-L51 PolarHBondContact O-N 3.49Å; R48-L51 PolarHBondContact O-N 2.9Å; L51-V53 VanDerWaalsContact C-N 3.35Å
52R92.8Very high91.7Very high224 Ų22483.7 Ų83.785%0.84542%0.418SS*.Hα-helixtrans-75.3-24.1174.8-174.9177.5174179.4-1112.5R48 Q49 L50 S54R48-R52 WeakPolarHBondContact O-CB 3.39Å; R48-R52 PolarHBondContact O-N 3.37Å; Q49-R52 WeakPolarHBondContact O-CB 3.39Å; Q49-R52 PolarHBondContact O-N 3.05Å; L50-R52 PolarHBondContact O-N 2.93Å; R52-S54 PolarHBondContact O-N 2.93Å
53V91.2Very high91.9Very high68 Ų6878.9 Ų78.941%0.41241%0.408SS..  trans-75124.2-179-179.10000109.8L50 L51 V55 L56L50-V53 PolarHBondContact O-N 2.93Å; L51-V53 VanDerWaalsContact C-N 3.35Å; V53-V55 PolarHBondContact O-N 3.41Å; V53-L56 HydrophobicContact CB-CD1 4.31Å; V53-L56 HydrophobicContact CG1-CD1 4.43Å
54S85.5Confident92Very high122 Ų12278.5 Ų78.585%0.85341%0.405SS*.SBendtrans-64.8-40.3-175.654.40000113.8R52R52-S54 PolarHBondContact O-N 2.93Å
55V89.2Confident92.1Very high114 Ų11473.6 Ų73.669%0.69138%0.384SS*.SBendtrans-121.387.3177.6-172.70000109.3V53V53-V55 PolarHBondContact O-N 3.41Å
56L89.5Confident92.2Very high19 Ų1972.7 Ų72.710%0.09938%0.379CS..  trans-91.9120.1177.1-168.971.4000110.2R34 V38 L50 V53 A61R34-L56 WeakPolarHBondContact CD-O 3.49Å; R34-L56 HydrophobicContact CG-CD2 3.92Å; R34-L56 HydrophobicContact CG-CG 4.11Å; R34-L56 PolarHBondContact NH1-O 2.88Å; V38-L56 HydrophobicContact CG2-CD2 3.68Å; L50-L56 HydrophobicContact CB-CD2 4.07Å; L50-L56 HydrophobicContact CD2-CD1 3.74Å; L50-L56 HydrophobicContact CD2-CD2 4.15Å; V53-L56 HydrophobicContact CB-CD1 4.31Å; V53-L56 HydrophobicContact CG1-CD1 4.43Å; L56-A61 HydrophobicContact CD1-CB 3.84Å; L56-A61 HydrophobicContact CD2-CB 3.99Å; L56-A61 HydrophobicContact CG-CB 3.91Å
57T92.8Very high92.3Very high71 Ų7175.9 Ų75.944%0.43640%0.399SS..  trans-99.4162.9169.669.80000109.8N59 S60 A61T57-N59 PolarHBondContact O-N 3.12Å; T57-S60 PolarHBondContact N-OG 2.82Å; T57-S60 PolarHBondContact O-N 3.4Å; T57-S60 PolarHBondContact O-OG 3.32Å; T57-S60 VanDerWaalsContact O-OG 3.12Å; T57-S60 WeakPolarHBondContact OG1-CB 3.29Å; T57-S60 PolarHBondContact OG1-N 2.9Å; T57-S60 VanDerWaalsContact OG1-N 3.17Å; T57-S60 PolarHBondContact OG1-OG 3.22Å; T57-A61 VanDerWaalsContact O-CB 3.31Å; T57-A61 WeakPolarHBondContact O-CB 3.32Å; T57-A61 PolarHBondContact O-N 3.42Å
58F92.4Very high92.3Very high41 Ų4174.5 Ų74.518%0.1839%0.394CS..Hα-helixtrans-60-46.2176.6176.3-108.4000112.5H30 L33 R34 L37 S60 A61 L62H30-F58 HydrophobicContact CB-CB 4.04Å; H30-F58 AromaticContact ND1-CD1 3.76Å; H30-F58 WeakPolarHBondContact O-CB 3.27Å; L33-F58 HydrophobicContact CB-CD2 3.49Å; L33-F58 VanDerWaalsContact CB-CD2 3.49Å; L33-F58 HydrophobicContact CB-CE2 3.64Å; L33-F58 HydrophobicContact CB-CG 4.01Å; L33-F58 HydrophobicContact CB-CZ 4.27Å; L33-F58 HydrophobicContact CD1-CE1 4.37Å; L33-F58 HydrophobicContact CD1-CZ 4.36Å; R34-F58 HydrophobicContact CB-CB 4.21Å; L37-F58 HydrophobicContact CD2-CE2 4.33Å; F58-S60 PolarHBondContact O-N 2.9Å; F58-A61 PolarHBondContact O-N 2.87Å; F58-L62 HydrophobicContact CE1-CD2 4.13Å; F58-L62 HydrophobicContact CZ-CD2 4.24Å; F58-L62 VanDerWaalsContact O-CB 3.3Å; F58-L62 WeakPolarHBondContact O-CB 3.35Å; F58-L62 PolarHBondContact O-N 3.42Å
59N92.2Very high92.3Very high90 Ų9073.9 Ų73.948%0.48140%0.398SS..Hα-helixtrans-65.4-40.4-178.7-66.8-30.9000111.6T57 L62 N63T57-N59 PolarHBondContact O-N 3.12Å; N59-L62 PolarHBondContact O-N 3.18Å; N59-N63 VanDerWaalsContact O-CB 3.3Å; N59-N63 WeakPolarHBondContact O-CB 3.46Å; N59-N63 PolarHBondContact O-N 3.06Å; N59-N63 PolarHBondContact O-ND2 3.43Å
60S92.8Very high92.3Very high50 Ų5072.6 Ų72.635%0.3540%0.396SS..Hα-helixtrans-67.3-39.6175.864.70000112.1T57 F58 L64T57-S60 PolarHBondContact N-OG 2.82Å; T57-S60 PolarHBondContact O-N 3.4Å; T57-S60 PolarHBondContact O-OG 3.32Å; T57-S60 VanDerWaalsContact O-OG 3.12Å; T57-S60 WeakPolarHBondContact OG1-CB 3.29Å; T57-S60 PolarHBondContact OG1-N 2.9Å; T57-S60 VanDerWaalsContact OG1-N 3.17Å; T57-S60 PolarHBondContact OG1-OG 3.22Å; F58-S60 PolarHBondContact O-N 2.9Å; S60-L64 WeakPolarHBondContact O-CB 3.34Å; S60-L64 PolarHBondContact O-N 3.27Å
61A93.5Very high92.3Very high0 Ų075.5 Ų75.50%042%0.416CS..Hα-helixtrans-63.8-43.5174.800000112.5R34 L37 L50 L56 T57 F58 L64 A65R34-A61 HydrophobicContact CG-CB 4.47Å; L37-A61 HydrophobicContact CD2-CB 3.81Å; L50-A61 HydrophobicContact CD2-CB 3.9Å; L56-A61 HydrophobicContact CD1-CB 3.84Å; L56-A61 HydrophobicContact CD2-CB 3.99Å; L56-A61 HydrophobicContact CG-CB 3.91Å; T57-A61 VanDerWaalsContact O-CB 3.31Å; T57-A61 WeakPolarHBondContact O-CB 3.32Å; T57-A61 PolarHBondContact O-N 3.42Å; F58-A61 PolarHBondContact O-N 2.87Å; A61-L64 PolarHBondContact O-N 2.84Å; A61-A65 WeakPolarHBondContact O-CB 3.33Å; A61-A65 PolarHBondContact O-N 2.74Å
62L93.9Very high92.3Very high64 Ų6473.8 Ų73.834%0.33541%0.408SS..Hα-helixtrans-64.5-48.4178.1-178.563.6000111.1L37 F58 N59 L64 A65 V66L37-L62 HydrophobicContact CD2-CB 4.35Å; F58-L62 HydrophobicContact CE1-CD2 4.13Å; F58-L62 HydrophobicContact CZ-CD2 4.24Å; F58-L62 VanDerWaalsContact O-CB 3.3Å; F58-L62 WeakPolarHBondContact O-CB 3.35Å; F58-L62 PolarHBondContact O-N 3.42Å; N59-L62 PolarHBondContact O-N 3.18Å; L62-L64 VanDerWaalsContact C-N 3.33Å; L62-L64 PolarHBondContact O-N 3.35Å; L62-A65 PolarHBondContact O-N 2.88Å; L62-V66 HydrophobicContact CD1-CG2 4.36Å; L62-V66 WeakPolarHBondContact O-CG2 3.12Å; L62-V66 PolarHBondContact O-N 3.41Å
63N93.9Very high92.1Very high103 Ų10366 Ų6655%0.55139%0.387SS*.Hα-helixtrans-60.1-44.6177.1-72.8-17.6000111.1N59 A65 V66 T67N59-N63 VanDerWaalsContact O-CB 3.3Å; N59-N63 WeakPolarHBondContact O-CB 3.46Å; N59-N63 PolarHBondContact O-N 3.06Å; N59-N63 PolarHBondContact O-ND2 3.43Å; N63-A65 PolarHBondContact O-N 3.15Å; N63-V66 PolarHBondContact O-N 2.97Å; N63-T67 WeakPolarHBondContact O-CB 3.36Å; N63-T67 WeakPolarHBondContact O-CG2 3.46Å; N63-T67 PolarHBondContact O-N 2.64Å; N63-T67 PolarHBondContact O-OG1 3Å
64L93Very high92.2Very high45 Ų4568.6 Ų68.624%0.23639%0.393CS..Hα-helixtrans-59.7-48.7176.4-164.386.8000110.8L46 Q49 L50 S60 A61 L62 V66 T67 T68L46-L64 HydrophobicContact CD1-CD2 3.9Å; L46-L64 HydrophobicContact CD1-CG 4.35Å; Q49-L64 HydrophobicContact CG-CD2 4.18Å; L50-L64 HydrophobicContact CD2-CB 4.1Å; L50-L64 HydrophobicContact CD2-CD2 3.42Å; L50-L64 VanDerWaalsContact CD2-CD2 3.42Å; L50-L64 HydrophobicContact CD2-CG 4.38Å; L50-L64 HydrophobicContact CG-CD2 3.85Å; S60-L64 WeakPolarHBondContact O-CB 3.34Å; S60-L64 PolarHBondContact O-N 3.27Å; A61-L64 PolarHBondContact O-N 2.84Å; L62-L64 VanDerWaalsContact C-N 3.33Å; L62-L64 PolarHBondContact O-N 3.35Å; L64-V66 PolarHBondContact O-N 2.7Å; L64-T67 WeakPolarHBondContact CA-OG1 3.24Å; L64-T67 PolarHBondContact O-N 2.75Å; L64-T67 PolarHBondContact O-OG1 3.42Å; L64-T68 WeakPolarHBondContact O-CB 3.43Å; L64-T68 PolarHBondContact O-N 2.95Å; L64-T68 PolarHBondContact O-OG1 3.34Å
65A93.3Very high92.4Very high12 Ų1265.8 Ų65.810%0.09937%0.371CS..Hα-helixtrans-59.1-46.3179.800000112.7L46 A61 L62 N63 T68 E69L46-A65 HydrophobicContact CD2-CB 4.01Å; A61-A65 WeakPolarHBondContact O-CB 3.33Å; A61-A65 PolarHBondContact O-N 2.74Å; L62-A65 PolarHBondContact O-N 2.88Å; N63-A65 PolarHBondContact O-N 3.15Å; A65-T68 PolarHBondContact O-N 3.46Å; A65-E69 WeakPolarHBondContact O-CB 3.21Å; A65-E69 PolarHBondContact O-N 3.05Å
66V94.5Very high92.4Very high71 Ų7163.5 Ų63.543%0.4336%0.364SS..Hα-helixtrans-63.9-44177.1173.50000111L62 N63 L64 T68 E69 V70L62-V66 HydrophobicContact CD1-CG2 4.36Å; L62-V66 WeakPolarHBondContact O-CG2 3.12Å; L62-V66 PolarHBondContact O-N 3.41Å; N63-V66 PolarHBondContact O-N 2.97Å; L64-V66 PolarHBondContact O-N 2.7Å; V66-T68 PolarHBondContact O-N 3.01Å; V66-E69 PolarHBondContact O-N 2.75Å; V66-V70 HydrophobicContact CG1-CG2 4.47Å; V66-V70 VanDerWaalsContact O-CG2 3.31Å; V66-V70 WeakPolarHBondContact O-CG2 3.39Å; V66-V70 PolarHBondContact O-N 2.84Å
67T94.5Very high92.4Very high75 Ų7569.9 Ų69.946%0.4639%0.391SS..Hα-helixtrans-64.6-39.1178.158.20000112.2N63 L64 S71N63-T67 WeakPolarHBondContact O-CB 3.36Å; N63-T67 WeakPolarHBondContact O-CG2 3.46Å; N63-T67 PolarHBondContact O-N 2.64Å; N63-T67 PolarHBondContact O-OG1 3Å; L64-T67 WeakPolarHBondContact CA-OG1 3.24Å; L64-T67 PolarHBondContact O-N 2.75Å; L64-T67 PolarHBondContact O-OG1 3.42Å; T67-S71 VanDerWaalsContact O-CB 3.24Å; T67-S71 WeakPolarHBondContact O-CB 3.32Å; T67-S71 PolarHBondContact O-N 3.4Å; T67-S71 PolarHBondContact O-OG 2.94Å
68T93.4Very high92.1Very high22 Ų2273.1 Ų73.114%0.13540%0.402CS..Hα-helixtrans-66.6-42.5175.6-59.70000111.2L46 L64 A65 V66 S71 N72L46-T68 HydrophobicContact CD1-CG2 4.09Å; L46-T68 WeakPolarHBondContact CD1-OG1 3.32Å; L46-T68 HydrophobicContact CD2-CG2 4.43Å; L64-T68 WeakPolarHBondContact O-CB 3.43Å; L64-T68 PolarHBondContact O-N 2.95Å; L64-T68 PolarHBondContact O-OG1 3.34Å; A65-T68 PolarHBondContact O-N 3.46Å; V66-T68 PolarHBondContact O-N 3.01Å; T68-S71 PolarHBondContact O-N 2.89Å; T68-N72 VanDerWaalsContact O-CB 3.29Å; T68-N72 WeakPolarHBondContact O-CB 3.31Å; T68-N72 PolarHBondContact O-N 2.76Å; T68-N72 PolarHBondContact O-ND2 3.46Å
69E91.7Very high91.7Very high143 Ų14378.3 Ų78.367%0.66843%0.427SS*.Hα-helixtrans-60.5-48.2175.8-175.6178.7-177.400111.8A65 V66 S71 N72 S73A65-E69 WeakPolarHBondContact O-CB 3.21Å; A65-E69 PolarHBondContact O-N 3.05Å; V66-E69 PolarHBondContact O-N 2.75Å; E69-S71 VanDerWaalsContact C-N 3.33Å; E69-S71 PolarHBondContact O-N 3.07Å; E69-N72 PolarHBondContact O-N 3.14Å; E69-S73 WeakPolarHBondContact O-CB 3.4Å; E69-S73 PolarHBondContact O-N 2.78Å
70V93.5Very high90.8Very high69 Ų6977.3 Ų77.342%0.41843%0.427SS..Hα-helixtrans-62-41.6176.5172.80000111V66 S73 K74V66-V70 HydrophobicContact CG1-CG2 4.47Å; V66-V70 VanDerWaalsContact O-CG2 3.31Å; V66-V70 WeakPolarHBondContact O-CG2 3.39Å; V66-V70 PolarHBondContact O-N 2.84Å; V70-S73 PolarHBondContact O-N 3.49Å; V70-K74 HydrophobicContact CG1-CD 4.22Å; V70-K74 WeakPolarHBondContact O-CG 3.32Å; V70-K74 PolarHBondContact O-N 2.64Å
71S92.5Very high89.5Confident61 Ų6180 Ų8043%0.42744%0.443SS..Hα-helixtrans-65.4-46.7178.2-59.70000111.4T67 T68 E69 S73 K74 V75T67-S71 VanDerWaalsContact O-CB 3.24Å; T67-S71 WeakPolarHBondContact O-CB 3.32Å; T67-S71 PolarHBondContact O-N 3.4Å; T67-S71 PolarHBondContact O-OG 2.94Å; T68-S71 PolarHBondContact O-N 2.89Å; E69-S71 VanDerWaalsContact C-N 3.33Å; E69-S71 PolarHBondContact O-N 3.07Å; S71-S73 VanDerWaalsContact C-N 3.31Å; S71-S73 PolarHBondContact O-N 3.31Å; S71-K74 PolarHBondContact O-N 3.45Å; S71-K74 VanDerWaalsContact O-N 3.16Å; S71-V75 WeakPolarHBondContact O-CB 3.1Å; S71-V75 VanDerWaalsContact O-CG2 3.25Å; S71-V75 WeakPolarHBondContact O-CG2 3.26Å; S71-V75 PolarHBondContact O-N 3.49Å
72N91.1Very high87.8Confident85 Ų8587.6 Ų87.646%0.45548%0.479SS..Hα-helixtrans-61.7-39.4177.6-73.2-11.5000111.5T68 E69 A76T68-N72 VanDerWaalsContact O-CB 3.29Å; T68-N72 WeakPolarHBondContact O-CB 3.31Å; T68-N72 PolarHBondContact O-N 2.76Å; T68-N72 PolarHBondContact O-ND2 3.46Å; E69-N72 PolarHBondContact O-N 3.14Å; N72-A76 VanDerWaalsContact O-CB 3.24Å; N72-A76 WeakPolarHBondContact O-CB 3.49Å; N72-A76 PolarHBondContact O-N 2.83Å
73S89.5Confident85.8Confident60 Ų6093.7 Ų93.742%0.4251%0.505SS..Hα-helixtrans-63.4-44.2173.9-172.90000112.1E69 V70 S71 A76 K77E69-S73 WeakPolarHBondContact O-CB 3.4Å; E69-S73 PolarHBondContact O-N 2.78Å; V70-S73 PolarHBondContact O-N 3.49Å; S71-S73 VanDerWaalsContact C-N 3.31Å; S71-S73 PolarHBondContact O-N 3.31Å; S73-A76 PolarHBondContact O-N 2.88Å; S73-K77 WeakPolarHBondContact O-CG 3.41Å; S73-K77 PolarHBondContact O-N 3.37Å; S73-K77 VanDerWaalsContact O-N 3.09Å
74K92.5Very high83.6Confident124 Ų12492 Ų9254%0.53951%0.512SS..Hα-helixtrans-65.5-45.3177.1-73.6177.2-179.7-177.20112V70 S71 A76 K77 M78V70-K74 HydrophobicContact CG1-CD 4.22Å; V70-K74 WeakPolarHBondContact O-CG 3.32Å; V70-K74 PolarHBondContact O-N 2.64Å; S71-K74 PolarHBondContact O-N 3.45Å; S71-K74 VanDerWaalsContact O-N 3.16Å; K74-A76 VanDerWaalsContact C-N 3.34Å; K74-A76 PolarHBondContact O-N 3.32Å; K74-K77 WeakPolarHBondContact O-CB 3.45Å; K74-K77 PolarHBondContact O-N 2.85Å; K74-K77 VanDerWaalsContact O-N 3.12Å; K74-M78 WeakPolarHBondContact O-CG 3.48Å; K74-M78 PolarHBondContact O-N 2.89Å
75V91.5Very high81.4Confident63 Ų6397.3 Ų97.338%0.38254%0.536SS..Hα-helixtrans-62.9-40.8177.6169.60000110.9S71 K77 M78 H79S71-V75 WeakPolarHBondContact O-CB 3.1Å; S71-V75 VanDerWaalsContact O-CG2 3.25Å; S71-V75 WeakPolarHBondContact O-CG2 3.26Å; S71-V75 PolarHBondContact O-N 3.49Å; V75-K77 VanDerWaalsContact C-N 3.3Å; V75-K77 PolarHBondContact O-N 3.49Å; V75-M78 PolarHBondContact O-N 3.26Å; V75-H79 VanDerWaalsContact CG1-CD2 3.4Å; V75-H79 WeakPolarHBondContact CG1-CD2 3.05Å; V75-H79 PolarHBondContact O-CD2 2.8Å; V75-H79 PolarHBondContact O-N 3.29Å
76A89.2Confident79.1Confident65 Ų65102.4 Ų102.454%0.53757%0.571SS.*Hα-helixtrans-62.2-36.4173.300000112.6N72 S73 K74 S80N72-A76 VanDerWaalsContact O-CB 3.24Å; N72-A76 WeakPolarHBondContact O-CB 3.49Å; N72-A76 PolarHBondContact O-N 2.83Å; S73-A76 PolarHBondContact O-N 2.88Å; K74-A76 VanDerWaalsContact C-N 3.34Å; K74-A76 PolarHBondContact O-N 3.32Å; A76-S80 PolarHBondContact O-N 3.49Å
77K89.4Confident77Confident154 Ų154106.8 Ų106.867%0.6759%0.587SS**Hα-helixtrans-69.8-37.5173.4-69.4174.2-174.4-176.30112.4S73 K74 V75 S80S73-K77 WeakPolarHBondContact O-CG 3.41Å; S73-K77 PolarHBondContact O-N 3.37Å; S73-K77 VanDerWaalsContact O-N 3.09Å; K74-K77 WeakPolarHBondContact O-CB 3.45Å; K74-K77 PolarHBondContact O-N 2.85Å; K74-K77 VanDerWaalsContact O-N 3.12Å; V75-K77 VanDerWaalsContact C-N 3.3Å; V75-K77 PolarHBondContact O-N 3.49Å; K77-S80 WeakPolarHBondContact O-CB 3.32Å; K77-S80 PolarHBondContact O-N 2.94Å
78M86Confident74.5Confident138 Ų138111 Ų11168%0.6861%0.607SS**Hα-helixtrans-68.1-36.7176.5-69.2170-178.400112.7K74 V75K74-M78 WeakPolarHBondContact O-CG 3.48Å; K74-M78 PolarHBondContact O-N 2.89Å; V75-M78 PolarHBondContact O-N 3.26Å
79H84.1Confident72.5Confident150 Ų150115.8 Ų115.869%0.69464%0.635SS**Hα-helixtrans-88.3-4.6177.5-67.3-58.2000113.9V75 P81V75-H79 VanDerWaalsContact CG1-CD2 3.4Å; V75-H79 WeakPolarHBondContact CG1-CD2 3.05Å; V75-H79 PolarHBondContact O-CD2 2.8Å; V75-H79 PolarHBondContact O-N 3.29Å; H79-P81 WeakPolarHBondContact O-CD 3.27Å
80S73Confident70.4Confident70 Ų70117.4 Ų117.449%0.4964%0.643SS.*SBendtrans-61.6122.9164.7-175.20000106.6A76 K77 H82A76-S80 PolarHBondContact O-N 3.49Å; K77-S80 WeakPolarHBondContact O-CB 3.32Å; K77-S80 PolarHBondContact O-N 2.94Å; S80-H82 PolarHBondContact O-N 3.34Å
81P66.3Low68.4Low106 Ų106122.4 Ų122.469%0.68867%0.666SS**  trans-54.3116.2179.821-30.5000107.8H79 Q83H79-P81 WeakPolarHBondContact O-CD 3.27Å; P81-Q83 PolarHBondContact O-N 3.48Å
82H56.9Low66.4Low160 Ų160127.2 Ų127.274%0.74169%0.686SS**  trans-53.1105.5172.6-100.1-65.5000106.9S80 G84S80-H82 PolarHBondContact O-N 3.34Å; H82-G84 PolarHBondContact O-N 3.06Å
83Q51.6Low63.9Low191 Ų191133.4 Ų133.489%0.89370%0.703SS**SBendtrans-68.391.7163.5-73-176.3-20.900105.9P81P81-Q83 PolarHBondContact O-N 3.48Å
84G47.1Very low61.7Low68 Ų68142.5 Ų142.570%0.70173%0.728SS**SBendtrans6376.9159.700000116.7H82H82-G84 PolarHBondContact O-N 3.06Å
85E47.9Very low59.1Low156 Ų156142.9 Ų142.973%0.72974%0.736SS**  trans-156.978.1152-113.8171.3-165.900109
86S45.6Very low56.7Low120 Ų120147.4 Ų147.484%0.83976%0.758SS**  trans-88.397.4162.1-171.90000106.5
87Q49.2Very low54.6Low163 Ų163152.5 Ų152.576%0.76277%0.77SS**  trans-72.5129.2163.4-73.3178.1-11.600108.6V89Q87-V89 PolarHBondContact O-N 3Å
88D42.4Very low52Low163 Ų163153.5 Ų153.587%0.87278%0.775SS**  trans-52.4117.5180-78.9-53.2000113.1
89V52Low49.8Very low122 Ų122153.5 Ų153.574%0.73977%0.773SS**  trans-138.698.5155.9-169.30000109.5Q87Q87-V89 PolarHBondContact O-N 3Å
90Q47.6Very low47.6Very low177 Ų177154.7 Ų154.783%0.82778%0.779SS**  trans54.794147.8-61.4173.9-12.600118.3
91L50.4Low46Very low174 Ų174162.7 Ų162.791%0.91180%0.799SS**  trans-114.4112.5152.5-135.897.5000110.1R93L91-R93 PolarHBondContact O-N 3.07Å
92I50.2Low44.9Very low163 Ų163164.5 Ų164.584%0.83680%0.801SS**  trans-71.6120.1173.6-64171000108.3
93R40.4Very low44.4Very low214 Ų214164.4 Ų164.481%0.80880%0.801SS**  trans-72.3138.4177.2-70.3-179.1178.4173-0.2111.6L91L91-R93 PolarHBondContact O-N 3.07Å
94R43.3Very low44.2Very low251 Ų251163.8 Ų163.895%0.94780%0.798SS**  trans-134.3119.9145-92.3-173.3175.7140.4-0.3109
95D37.6Very low43.9Very low132 Ų132166.6 Ų166.671%0.70680%0.802SS**  trans-68.2148.1-179.2-59.1-64000112
96N41.2Very low43.6Very low159 Ų159166 Ų16685%0.8581%0.808SS**  trans-163.9106.1137-93-20000110
97H44.8Very low43.1Very low171 Ų171171.3 Ų171.379%0.79281%0.81SS**  trans31118.7140.1-93-94.7000119.4
98F34.4Very low42.6Very low176 Ų176172.5 Ų172.577%0.77282%0.816SS**  -172.1145.999.8-167.5-109000109.6
99Q40.3Very low42.6Very low138 Ų138173.8 Ų173.865%0.64582%0.816SS**  trans-62.8154.3-173.6-64.5143.3-75.700110.6
100E37.8Very low42.4Very low174 Ų174174.6 Ų174.681%0.81382%0.821SS**  -167.8110.164-75.5169.6157.400107.5
101R38Very low42.3Very low239 Ų239172.1 Ų172.190%0.90282%0.818SS**  17113.8107-108.6-177.7-91.2-149.5-3.5115.5
102I43.4Very low41.9Very low143 Ų143169.4 Ų169.473%0.73381%0.81SS**  -177.3112.8115.3-85.9152000110.5
103Q47.1Very low41.7Very low158 Ų158166.7 Ų166.774%0.73881%0.812SS**  trans59.1106.2145.1-64.216111.900119.2
104Q47Very low42.2Very low178 Ų178161.4 Ų161.483%0.83281%0.808SS**  52113.986.3-74.7179.8-23.700111.1
105T40.5Very low42.6Very low128 Ų128157.2 Ų157.279%0.78580%0.804SS**  -175.3158.567.5440000112.7
106V42.2Very low43.2Very low142 Ų142162 Ų16286%0.86181%0.812SS**  trans87.6111.5159.4-158.70000117.6
107R35.5Very low43.9Very low232 Ų232163.9 Ų163.988%0.87581%0.813SS**  trans-83.5132.7178-69.7169.4164.7164.1-6.2110.2
108E38.4Very low44.8Very low189 Ų189160.7 Ų160.788%0.88381%0.805SS**  trans-146.9121.2144.7-114.6170.8-174.200108.2
109Q42.4Very low46.9Very low190 Ų190156.9 Ų156.989%0.88880%0.796SS**  trans-83.9115.4-173.1-68.4175.1-19.200109.4
110V48.3Very low48.8Very low138 Ų138150.3 Ų150.384%0.83677%0.766SS**  trans-118.6121.6168.9-178.20000108.9
111V44.6Very low50.7Low125 Ų125148.6 Ų148.676%0.75875%0.753SS**  trans-57.6136.8179.8-1750000110.9A113V111-A113 PolarHBondContact O-N 3.29Å
112P41.7Very low52.6Low117 Ų117140.6 Ų140.676%0.7672%0.723SS**  trans-77.6123.1-178.421.1-15.6000111.5S114P112-S114 PolarHBondContact O-N 3Å
113A46.7Very low54.4Low106 Ų106135.5 Ų135.588%0.87670%0.699SS**  trans-6997.417300000110.8V111 L115V111-A113 PolarHBondContact O-N 3.29Å; A113-L115 PolarHBondContact O-N 3.06Å
114S50.2Low55.8Low103 Ų103129.5 Ų129.572%0.7268%0.679SS**  trans-68.6115.6172.761.30000111.3P112 R116P112-S114 PolarHBondContact O-N 3Å; S114-R116 PolarHBondContact O-N 2.99Å
115L52.2Low57.5Low163 Ų163121.7 Ų121.785%0.85365%0.647SS**  trans4861.7152.5-69.895.8000117.8A113A113-L115 PolarHBondContact O-N 3.06Å
116R49.9Very low59.5Low232 Ų232122 Ų12288%0.87565%0.651SS**  trans-85.5108.5142.5-69.9-172-176.9-176.22.7106.6S114 T118S114-R116 PolarHBondContact O-N 2.99Å; R116-T118 VanDerWaalsContact C-N 3.25Å; R116-T118 PolarHBondContact O-N 3.15Å
117K56.6Low61.5Low200 Ų200118 Ų11887%0.8762%0.623SS**  trans-54.494167.6-79.9177.9177.2176.50107.6T119K117-T119 PolarHBondContact O-N 3.05Å
118T63.2Low63.8Low104 Ų104109.7 Ų109.764%0.63860%0.601SS**  trans-71.9103.8179.9480000107.5R116R116-T118 VanDerWaalsContact C-N 3.25Å; R116-T118 PolarHBondContact O-N 3.15Å
119T78.1Confident65.7Low95 Ų95102.6 Ų102.658%0.58357%0.571SS**  trans-63.3141.8167.648.80000108.9K117 Y121 G125K117-T119 PolarHBondContact O-N 3.05Å; T119-Y121 PolarHBondContact O-N 2.97Å; T119-Y121 VanDerWaalsContact O-N 3.15Å; T119-G125 WeakPolarHBondContact CA-O 3.32Å
120C81.8Confident67.6Low0 Ų096.6 Ų96.60%055%0.554CS.*  trans-61.3116.7179.3178.10000109.6R122 C123 G124 G125 H127C120-R122 PolarHBondContact O-N 3.22Å; C120-C123 PolarHBondContact O-N 3.3Å; C120-C123 VanDerWaalsContact SG-SG 3.68Å; C120-G124 VanDerWaalsContact O-CA 3.27Å; C120-G124 WeakPolarHBondContact O-CA 3.38Å; C120-G124 PolarHBondContact O-N 3.27Å; C120-G125 WeakPolarHBondContact CB-O 3.43Å; C120-G125 PolarHBondContact N-O 3Å; C120-H127 WeakPolarHBondContact CB-O 3.49Å; C120-H127 PolarHBondContact SG-NE2 2.98Å
121Y77.2Confident69.3Low139 Ų13993.7 Ų93.755%0.54554%0.539SS..THydrogen-bonded Turntrans-65.4-10.3179.970.3-95.2000113.9T119 P129 V151T119-Y121 PolarHBondContact O-N 2.97Å; T119-Y121 VanDerWaalsContact O-N 3.15Å; Y121-P129 HydrophobicContact CD1-CB 3.9Å; Y121-P129 HydrophobicContact CD1-CG 3.5Å; Y121-P129 HydrophobicContact CE1-CB 3.32Å; Y121-P129 HydrophobicContact CE1-CG 3.4Å; Y121-P129 VanDerWaalsContact CE1-CG 3.4Å; Y121-V151 WeakPolarHBondContact O-CG1 3.34Å
122R76.9Confident71.1Confident71 Ų7188 Ų8827%0.26851%0.506SS..THydrogen-bonded Turntrans-85.8-33.7177.9-59.9178.5176.7-118.42.6112.8C120 F134 K135C120-R122 PolarHBondContact O-N 3.22Å; R122-F134 PolarHBondContact NH1-O 3.25Å; R122-F134 VanDerWaalsContact NH1-O 3.16Å; R122-K135 PolarHBondContact NH1-O 3.42Å
123C81.5Confident73.1Confident36 Ų3694 Ų9424%0.24351%0.513CS..THydrogen-bonded Turntrans-140.2-4.2-173.467.40000115.6C120 G125 H127 F134C120-C123 PolarHBondContact O-N 3.3Å; C120-C123 VanDerWaalsContact SG-SG 3.68Å; C123-G125 VanDerWaalsContact C-N 3.25Å; C123-G125 PolarHBondContact O-N 2.98Å; C123-H127 PolarHBondContact SG-CE1 3.15Å; C123-H127 PolarHBondContact SG-NE2 3.26Å; C123-H127 VanDerWaalsContact SG-NE2 3.37Å; C123-F134 HydrophobicContact CB-CD2 3.67Å; C123-F134 HydrophobicContact CB-CE2 3.78Å
124G77.2Confident74.4Confident31 Ų3193 Ų9332%0.3249%0.489SS..  trans77.62.8-179.200000114.7C120C120-G124 VanDerWaalsContact O-CA 3.27Å; C120-G124 WeakPolarHBondContact O-CA 3.38Å; C120-G124 PolarHBondContact O-N 3.27Å
125G81.6Confident75.7Confident15 Ų1593.3 Ų93.316%0.15548%0.477CS..  trans-77.9163.2-178.100000114.7T119 C120 C123 H127T119-G125 WeakPolarHBondContact CA-O 3.32Å; C120-G125 WeakPolarHBondContact CB-O 3.43Å; C120-G125 PolarHBondContact N-O 3Å; C123-G125 VanDerWaalsContact C-N 3.25Å; C123-G125 PolarHBondContact O-N 2.98Å; G125-H127 PolarHBondContact O-N 3.45Å
126P84.2Confident76.1Confident134 Ų13491 Ų9187%0.8747%0.474SS*.SBendtrans-83.757-17836.1-37000112.1
127H84.2Confident76.5Confident58 Ų5883 Ų8327%0.26945%0.453SS..SBendtrans-142161.6177.556.7-94.8000111.3C120 C123 G125 C132C120-H127 WeakPolarHBondContact CB-O 3.49Å; C120-H127 PolarHBondContact SG-NE2 2.98Å; C123-H127 PolarHBondContact SG-CE1 3.15Å; C123-H127 PolarHBondContact SG-NE2 3.26Å; C123-H127 VanDerWaalsContact SG-NE2 3.37Å; G125-H127 PolarHBondContact O-N 3.45Å; H127-C132 WeakPolarHBondContact NE2-CA 3.19Å; H127-C132 WeakPolarHBondContact NE2-CB 3.39Å; H127-C132 PolarHBondContact NE2-SG 3.48Å
128S82.7Confident76.3Confident58 Ų5879 Ų7941%0.40645%0.446SS..  trans-64.1142.8174.478.40000110.7A130 S131S128-A130 PolarHBondContact O-N 3.45Å; S128-S131 PolarHBondContact O-N 2.99Å; S128-S131 PolarHBondContact O-OG 3.44Å; S128-S131 VanDerWaalsContact O-OG 3.06Å; S128-S131 PolarHBondContact OG-N 3.12Å; S128-S131 PolarHBondContact OG-OG 3.14Å; S128-S131 VanDerWaalsContact OG-OG 3.07Å
129P79.2Confident75.9Confident40 Ų4082.7 Ų82.726%0.2645%0.453SS..G310 helixtrans-55.3-24174.9-26.835.2000114.3Y121 C132Y121-P129 HydrophobicContact CD1-CB 3.9Å; Y121-P129 HydrophobicContact CD1-CG 3.5Å; Y121-P129 HydrophobicContact CE1-CB 3.32Å; Y121-P129 HydrophobicContact CE1-CG 3.4Å; Y121-P129 VanDerWaalsContact CE1-CG 3.4Å; P129-C132 WeakPolarHBondContact O-CB 3.38Å
130A81.8Confident74.5Confident63 Ų6384.7 Ų84.752%0.52146%0.46SS..G310 helixtrans-73.9-23.4178.200000114.2S128 K135S128-A130 PolarHBondContact O-N 3.45Å; A130-K135 WeakPolarHBondContact O-CD 3.45Å; A130-K135 PolarHBondContact O-NZ 2.97Å; A130-K135 VanDerWaalsContact O-NZ 3.15Å
131S83Confident72.8Confident77 Ų7793.6 Ų93.654%0.53850%0.499SS..G310 helixtrans-103.312.2177.764.80000112.6S128S128-S131 PolarHBondContact O-N 2.99Å; S128-S131 PolarHBondContact O-OG 3.44Å; S128-S131 VanDerWaalsContact O-OG 3.06Å; S128-S131 PolarHBondContact OG-N 3.12Å; S128-S131 PolarHBondContact OG-OG 3.14Å; S128-S131 VanDerWaalsContact OG-OG 3.07Å
132C84Confident71.3Confident7 Ų792.1 Ų92.15%0.04751%0.508CS..  trans-74.7133-178.5-169.90000111.4H127 P129 F134 K135H127-C132 WeakPolarHBondContact NE2-CA 3.19Å; H127-C132 WeakPolarHBondContact NE2-CB 3.39Å; H127-C132 PolarHBondContact NE2-SG 3.48Å; P129-C132 WeakPolarHBondContact O-CB 3.38Å; C132-F134 PolarHBondContact O-N 3.15Å; C132-F134 VanDerWaalsContact O-N 3.11Å; C132-F134 PolarHBondContact SG-N 3.23Å; C132-F134 VanDerWaalsContact SG-N 3.42Å; C132-K135 WeakPolarHBondContact O-CB 3.29Å; C132-K135 PolarHBondContact O-N 3.45Å
133R83Confident70.2Confident241 Ų24197.1 Ų97.191%0.90953%0.532SS*.THydrogen-bonded Turntrans-57.7-24.7171.3-176.7176.2163.8139.5-1.3112.7K135R133-K135 VanDerWaalsContact C-N 3.35Å
134F74.1Confident68.5Low87 Ų87101.9 Ų101.938%0.38256%0.562SS.*THydrogen-bonded Turntrans-92.719.7175-50.7-75.6000113.5R122 C123 C132 C136R122-F134 PolarHBondContact NH1-O 3.25Å; R122-F134 VanDerWaalsContact NH1-O 3.16Å; C123-F134 HydrophobicContact CB-CD2 3.67Å; C123-F134 HydrophobicContact CB-CE2 3.78Å; C132-F134 PolarHBondContact O-N 3.15Å; C132-F134 VanDerWaalsContact O-N 3.11Å; C132-F134 PolarHBondContact SG-N 3.23Å; C132-F134 VanDerWaalsContact SG-N 3.42Å; F134-C136 VanDerWaalsContact C-N 3.28Å; F134-C136 PolarHBondContact O-N 3.33Å
135K76.2Confident66.6Low108 Ų108106.5 Ų106.547%0.4758%0.584SS.*SBendtrans-61.9-36.2178.2-178.9-175.2-171.71730112.4R122 A130 C132 R133R122-K135 PolarHBondContact NH1-O 3.42Å; A130-K135 WeakPolarHBondContact O-CD 3.45Å; A130-K135 PolarHBondContact O-NZ 2.97Å; A130-K135 VanDerWaalsContact O-NZ 3.15Å; C132-K135 WeakPolarHBondContact O-CB 3.29Å; C132-K135 PolarHBondContact O-N 3.45Å; R133-K135 VanDerWaalsContact C-N 3.35Å
136C60.6Low64.6Low115 Ų115116 Ų11678%0.77762%0.615SS**SBendtrans-117.313.8-171.3-56.60000114.6F134 T138F134-C136 VanDerWaalsContact C-N 3.28Å; F134-C136 PolarHBondContact O-N 3.33Å; C136-T138 PolarHBondContact O-N 3.05Å
137S60.1Low62.8Low63 Ų63118.3 Ų118.344%0.44161%0.614SS.*  trans-79.3115.3173.366.60000109.8F139S137-F139 PolarHBondContact O-N 2.99Å
138T52.2Low61.3Low117 Ų117119.9 Ų119.972%0.71862%0.624SS**  trans-58.4123.2168460000109.3C136 N140C136-T138 PolarHBondContact O-N 3.05Å; T138-N140 PolarHBondContact O-N 2.85Å
139F53.8Low59.9Low182 Ų182124.8 Ų124.880%0.79864%0.64SS**  trans-63.893-178.6-84.9-98.4000110.8S137 F141S137-F139 PolarHBondContact O-N 2.99Å; F139-F141 PolarHBondContact O-N 3.43Å
140N49.7Very low58.7Low137 Ų137134.1 Ų134.173%0.73367%0.67SS**  trans-89.2101.1166.6-72.4-20.8000108.5T138T138-N140 PolarHBondContact O-N 2.85Å
141F45.3Very low57.8Low186 Ų186133.3 Ų133.382%0.81666%0.659SS**  trans30.8117.3155.8-67.2-86.9000118.4F139 K143F139-F141 PolarHBondContact O-N 3.43Å; F141-K143 PolarHBondContact O-N 3.37Å
142C45.8Very low56.5Low109 Ų109132.1 Ų132.174%0.73665%0.65SS**  trans-47.591.9174.2-69.20000113.1
143K53Low55.4Low176 Ų176142.6 Ų142.677%0.76569%0.689SS**  trans-115.3135.7155.2-71.3-174.4-179.5-178.40108F141 V145F141-K143 PolarHBondContact O-N 3.37Å; K143-V145 PolarHBondContact O-N 3.29Å
144P45.9Very low54Low135 Ų135134.6 Ų134.688%0.87767%0.67SS**  trans-74.291.6-167.829.6-33.2000110.7
145V37.4Very low52.9Low128 Ų128135.2 Ų135.278%0.77668%0.677SS**  trans-107.283.6166.9-169.90000108.5K143 Q147K143-V145 PolarHBondContact O-N 3.29Å; V145-Q147 VanDerWaalsContact C-N 3.33Å; V145-Q147 PolarHBondContact O-N 2.9Å
146R40.8Very low51.5Low215 Ų215135.8 Ų135.881%0.81169%0.689SS**SBendtrans35.412.9150.7-78-173.1175.5-120-1.7123.7
147Q46Very low50.7Low183 Ų183134.8 Ų134.886%0.85568%0.683SS**SBendtrans-146.3-1.3179.2-122.2150.7-5.200119.3V145V145-Q147 VanDerWaalsContact C-N 3.33Å; V145-Q147 PolarHBondContact O-N 2.9Å
148I53Low50Low91 Ų91134.6 Ų134.647%0.46768%0.682SS.*  trans-119.48.2-176.4-55.6171.9000112.8R150 V151I148-R150 PolarHBondContact O-N 3.4Å; I148-V151 PolarHBondContact O-N 3.41Å
149E52.8Low49.6Very low161 Ų161133.7 Ų133.775%0.75268%0.68SS**THydrogen-bonded Turntrans-59.4-25.1-176-155.8170.6-155.200113.9V151E149-V151 PolarHBondContact O-N 3.22Å
150R55Low49.1Very low236 Ų236131 Ų13189%0.89168%0.679SS**THydrogen-bonded Turntrans-64.8-17.8-179-104.9-176-79.2-177.8-5.9115.7I148I148-R150 PolarHBondContact O-N 3.4Å
151V61.3Low48.7Very low46 Ų46127.6 Ų127.628%0.27967%0.67SS.*THydrogen-bonded Turntrans-134.5-0.1-170.1-137.80000113.6Y121 I148 E149 R153Y121-V151 WeakPolarHBondContact O-CG1 3.34Å; I148-V151 PolarHBondContact O-N 3.41Å; E149-V151 PolarHBondContact O-N 3.22Å; V151-R153 PolarHBondContact O-N 3.32Å
152C57.5Low48.5Very low52 Ų52128 Ų12835%0.35167%0.671SS.*  trans-78.8111.8-176.7-161.60000111.1S154C152-S154 PolarHBondContact O-N 2.98Å; C152-S154 PolarHBondContact SG-OG 3.16Å
153R59.3Low48.5Very low227 Ų227131.8 Ų131.886%0.85768%0.678SS**G310 helixtrans-67-13-177.5-67.4-175.1174.4-160.3-1.8114.1V151 N155V151-R153 PolarHBondContact O-N 3.32Å; R153-N155 VanDerWaalsContact C-N 3.28Å; R153-N155 PolarHBondContact O-N 3.14Å
154S54.1Low47.9Very low73 Ų73132.5 Ų132.551%0.5168%0.681SS.*G310 helixtrans-80.93.7-176.163.60000115.2C152C152-S154 PolarHBondContact O-N 2.98Å; C152-S154 PolarHBondContact SG-OG 3.16Å
155N50.5Low47.6Very low100 Ų100134.8 Ų134.854%0.53568%0.68SS.*G310 helixtrans-113.89.6175.4-111.91.2000114.2R153R153-N155 VanDerWaalsContact C-N 3.28Å; R153-N155 PolarHBondContact O-N 3.14Å
156V48.4Very low47.6Very low119 Ų119133.6 Ų133.672%0.72168%0.684SS**SBendtrans-98.5-0.4-176.4-168.90000112.6
157S43Very low47.3Very low94 Ų94128 Ų12866%0.65768%0.684SS**SBendtrans-121.80.6-179.149.80000115.5
158S45.4Very low46.9Very low59 Ų59129.4 Ų129.441%0.41369%0.687SS.*SBendtrans-106-10.3-173.344.50000115.3
159S43.2Very low46.1Very low98 Ų98137 Ų13769%0.68571%0.71SS**SBendtrans-84.4-15.1-17952.50000114.7
160T42.8Very low45.4Very low125 Ų125135.2 Ų135.277%0.76771%0.712SS**SBendtrans-99.50.8175.926.90000114.6
161A42.3Very low44.4Very low66 Ų66129.4 Ų129.455%0.54571%0.708SS.*SBendtrans-106.7-10.1-178.700000115
162K40.5Very low43.4Very low195 Ų195134 Ų13485%0.84874%0.736SS**SBendtrans-99.76.3-175.6-105.3177.2178.7179.70116.3
163Q45.3Very low42.5Very low188 Ų188139.4 Ų139.488%0.87976%0.756SS**SBendtrans-106.910.2173.2-82.7-178.6-3.200114.4
164K40.8Very low41.4Very low192 Ų192135 Ų13584%0.83575%0.75SS**SBendtrans-111.413.4179.2-84.9-175.8173.5-176.70115.3
165Q41.1Very low40.7Very low183 Ų183138.7 Ų138.786%0.85576%0.763SS**SBendtrans-129.262.9177.4-67.1-178.47.200110.9
166A35.8Very low40Very low102 Ų102141.4 Ų141.484%0.84378%0.776SS**  trans-159.453.717000000110.5
167A35.2Very low39.4Very low99 Ų99142.6 Ų142.682%0.81878%0.778SS**  trans-154.974.1173.100000110
168K37.8Very low39.1Very low212 Ų212145.9 Ų145.992%0.92278%0.783SS**  trans-150.7100.5163.3-104.9178.9-178.8-179.70107.5
169R36.3Very low39Very low249 Ų249148.1 Ų148.194%0.9480%0.799SS**  trans-107.1134.3159.6-92.3-175168.3-164.1-3.5107.2
170P38.2Very low38.7Very low125 Ų125152 Ų15281%0.81281%0.811SS**  trans-77.6138.9176.727.1-23.1000110.6
171S33.5Very low38.5Very low114 Ų114149.1 Ų149.180%0.79781%0.806SS**  trans-76.4127.8168.346.10000110.1
172T41Very low38.5Very low142 Ų142153 Ų15387%0.87182%0.823SS**  trans-119.1124.8159.336.10000108
173E38.3Very low38.2Very low166 Ų166149.8 Ų149.878%0.77682%0.823SS**  trans-72.6161.1-179-56.8175.9141.400112.3
174N36.5Very low37.9Very low135 Ų135146.1 Ų146.172%0.72282%0.818SS**  trans104.8127.5137-72.5-28000121
175L39.5Very low37.5Very low150 Ų150143.1 Ų143.179%0.78582%0.815SS**  trans8892.4156.3-84.981.4000120.8
176I36.2Very low37.4Very low156 Ų156141.4 Ų141.480%0.881%0.812SS**  20116.3118.4-41.3163.3000116.4
177D35Very low37.3Very low144 Ų144142.6 Ų142.677%0.7781%0.808SS**  -171.7153.7109.7-158.412.9000112.2
178Q35.8Very low37.5Very low163 Ų163145.7 Ų145.776%0.76281%0.809SS**  trans-78.5137.7-169.4-57.3165.917.700111.8
179S44.5Very low37.1Very low107 Ų107145.1 Ų145.175%0.74880%0.801SS**  158.6127.4126.455.40000112.9
180L37Very low37.4Very low179 Ų179138.5 Ų138.594%0.93779%0.792SS**  trans50.4118.1139.8-60.2164.6000119.9
181G37.3Very low37.4Very low65 Ų65138.5 Ų138.567%0.6778%0.781SS**  trans130.388.4136.600000118.6
182T43.2Very low37.4Very low146 Ų146138.4 Ų138.490%0.89678%0.776SS**  trans69.9147.8143.260.70000121.7
183P34.1Very low37.4Very low129 Ų129139 Ų13984%0.83877%0.773SS**  trans-100.6145.5-167.437.7-28.2000113.2
184S38.1Very low37.6Very low111 Ų111134.9 Ų134.978%0.77677%0.768SS**  trans-131131.116664.40000111.8
185V33.6Very low37.8Very low129 Ų129136.2 Ų136.278%0.78277%0.774SS**  trans-81.1126.5179.8176.40000108.5V187V185-V187 HydrophobicContact CG1-CG2 4.29Å
186N39Very low37.9Very low146 Ų146134.8 Ų134.878%0.78178%0.775SS**  trans-107.2106.4167.7-86-26000110.3
187V33.6Very low38.3Very low127 Ų127137.7 Ų137.777%0.7778%0.776SS**  trans-80.6127.2161.7173.70000107.5V185V185-V187 HydrophobicContact CG1-CG2 4.29Å
188I40Very low38.7Very low164 Ų164138.9 Ų138.984%0.84178%0.782SS**  trans-118.8116.7167.6-59.5177.2000108
189R28.9Very low38.6Very low201 Ų201136.4 Ų136.476%0.75878%0.78SS**  trans-130.9130.8164.2-173.1-176.3114162.22.5107.9
190C41.1Very low38.4Very low109 Ų109139.6 Ų139.674%0.73679%0.788SS**  trans-164.8109.3155.6-138.50000106.6
191Q38.4Very low38.1Very low125 Ų125137.1 Ų137.158%0.58479%0.786SS**  60.5138.693-96.2112.3-33.200113.3
192T34.9Very low38.1Very low112 Ų112138.2 Ų138.269%0.68779%0.788SS**  cis-173.9-175.8-14.40.20000105.5
193D41.4Very low37.6Very low154 Ų154140.7 Ų140.782%0.82479%0.79SS**  trans97.4132.6162.4-54.7-18.6000115.8
194A42.1Very low37.8Very low80 Ų80142.2 Ų142.266%0.66179%0.789SS**  cis-168.2141.6-6.700000107.8
195L39.8Very low37.3Very low163 Ų163143 Ų14385%0.85379%0.793SS**  trans62.1110.3148.7-55.8172000120.4
196C41.7Very low37.3Very low120 Ų120139.5 Ų139.581%0.81178%0.784SS**  173.9108.8118-93.20000112.6
197R45.7Very low37Very low217 Ų217139.4 Ų139.482%0.81978%0.783SS**  trans136.5119.7134.3-74.4-179.4179.2-158.5-2.5114.8
198L41.5Very low37.1Very low169 Ų169139.6 Ų139.689%0.88578%0.784SS**  trans-59.1164173.2-81.7162.9000114.1
199P35Very low37.1Very low112 Ų112139.9 Ų139.973%0.72778%0.782SS**  trans-90.3144.9-158.135.8-32.7000112.5
200L39.4Very low37.2Very low173 Ų173135.4 Ų135.491%0.90678%0.779SS**  trans-132.7127162.1-12196.8000109.7A202L200-A202 PolarHBondContact O-N 2.86Å
201S30.4Very low36.9Very low128 Ų128136.3 Ų136.390%0.89578%0.776SS**  trans-57.9119.1-178.9-44.40000111.9
202A38Very low36.5Very low88 Ų88139.3 Ų139.373%0.72779%0.79SS**  trans-148.2114.9163.600000109.4L200 I204L200-A202 PolarHBondContact O-N 2.86Å; A202-I204 PolarHBondContact O-N 3.13Å
203E33.7Very low36.3Very low198 Ų198140 Ų14093%0.92579%0.788SS**  trans-56.5115.6172.9-59.6174.715900110.5
204I37.1Very low35.8Very low160 Ų160142 Ų14282%0.82179%0.792SS**  trans-139111.5159.1-55.9-178.5000109.6A202A202-I204 PolarHBondContact O-N 3.13Å
205C27.7Very low35.3Very low127 Ų127145.4 Ų145.486%0.85880%0.796SS**  trans-54132165.7175.40000112
206G33.1Very low35.1Very low57 Ų57146.1 Ų146.159%0.58880%0.8SS**  trans170.784171.100000111.8V208G206-V208 PolarHBondContact O-N 3.08Å
207D32.9Very low35.2Very low144 Ų144145.6 Ų145.677%0.7779%0.785SS**  trans-56.2102.4172.8-54.9-44.4000110.1
208V35.8Very low34.9Very low131 Ų131139.2 Ų139.279%0.79477%0.774SS**  trans-110.2104.4160-179.90000105.6G206G206-V208 PolarHBondContact O-N 3.08Å
209E39.6Very low35.4Very low169 Ų169135.3 Ų135.379%0.7976%0.759SS**  trans-114.2113.4162.7-139.2-167.6-172.600108.3
210P32.8Very low36.1Very low107 Ų107136.4 Ų136.470%0.69575%0.754SS**  trans-96.6118.2170.533.1-22000108.6
211L34.7Very low36.7Very low128 Ų128129.4 Ų129.467%0.6772%0.719SS**  trans-132.1102.3166.2-86161.9000109.8I213L211-I213 PolarHBondContact O-N 3.15Å
212E28.8Very low37.7Very low188 Ų188124.9 Ų124.988%0.87969%0.687SS**  trans-53.1116.8153.2-69178.5139.100108.4
213I31.8Very low38.3Very low127 Ų127123.7 Ų123.765%0.65167%0.672SS**  trans-121.296.6162.3-59.2178.1000106.4L211 M215L211-I213 PolarHBondContact O-N 3.15Å; I213-M215 HydrophobicContact CG2-CB 4.09Å; I213-M215 HydrophobicContact CG2-CG 3.63Å; I213-M215 HydrophobicContact CG2-SD 4.19Å; I213-M215 PolarHBondContact O-N 3.04Å; I213-M215 VanDerWaalsContact O-N 3.14Å
214H30.1Very low39.1Very low195 Ų195118.1 Ų118.190%0.90365%0.646SS**  trans-59.6104.5153.2-99.865.2000107.2
215M32.6Very low39.6Very low152 Ų152118.4 Ų118.475%0.74965%0.647SS**  trans-125.9116163.5-96.6-169.16300108.4I213 E217I213-M215 HydrophobicContact CG2-CB 4.09Å; I213-M215 HydrophobicContact CG2-CG 3.63Å; I213-M215 HydrophobicContact CG2-SD 4.19Å; I213-M215 PolarHBondContact O-N 3.04Å; I213-M215 VanDerWaalsContact O-N 3.14Å; M215-E217 PolarHBondContact O-N 3.27Å
216L35.1Very low41.4Very low179 Ų179112.5 Ų112.594%0.93761%0.607SS**  trans-48.8113.3171.8-86.696.5000109.6S218L216-S218 PolarHBondContact O-N 2.8Å
217E43.4Very low43.1Very low108 Ų108111.1 Ų111.151%0.50559%0.59SS.*  trans-82.9103.5179.9-167.1144-159.500108.3M215 P219 R269M215-E217 PolarHBondContact O-N 3.27Å; E217-P219 VanDerWaalsContact O-CD 3.3Å; E217-P219 WeakPolarHBondContact O-CD 3.08Å; E217-R269 IonicContact OE1-CZ 3.57Å; E217-R269 IonicContact OE1-NH1 3.19Å; E217-R269 PolarHBondContact OE1-NH1 3.24Å; E217-R269 IonicContact OE1-NH2 3.61Å; E217-R269 PolarHBondContact OE1-NH2 2.72Å
218S40.3Very low45Very low84 Ų84109.7 Ų109.759%0.58758%0.579SS**  trans-82109.9162.9-176.50000108.3L216L216-S218 PolarHBondContact O-N 2.8Å
219P50.9Low47.1Very low86 Ų86110.6 Ų110.656%0.55857%0.568SS**  trans-105.584.5-171.235-20.8000109.6E217E217-P219 VanDerWaalsContact O-CD 3.3Å; E217-P219 WeakPolarHBondContact O-CD 3.08Å
220Q49.7Very low49Very low135 Ų135102.6 Ų102.663%0.63153%0.531SS*.  trans-124.685.5159.2-62.6-59.4-34.300109P249Q220-P249 HydrophobicContact CB-CB 4.43Å; Q220-P249 HydrophobicContact CB-CG 4.35Å
221P52.4Low51.3Low27 Ų2799.4 Ų99.418%0.17551%0.505CS..PPolyproline II helixtrans-70.5145.5172.422-25000110.7P305P221-P305 HydrophobicContact CB-CG 4Å; P221-P305 HydrophobicContact CG-CB 3.55Å; P221-P305 HydrophobicContact CG-CG 3.52Å
222P50.2Low53.6Low32 Ų3297 Ų9721%0.20849%0.493CS..PPolyproline II helixtrans-53.6137.2-179.93.4-14.1000112.7Q224 S226 L230 C250P222-Q224 PolarHBondContact O-N 3.37Å; P222-S226 WeakPolarHBondContact CB-OG 3.27Å; P222-L230 HydrophobicContact CB-CD1 3.71Å; P222-L230 HydrophobicContact CG-CD1 3.73Å; P222-C250 VanDerWaalsContact CB-SG 3.57Å; P222-C250 VanDerWaalsContact CG-SG 3.5Å
223P50.8Low56.3Low64 Ų6489.3 Ų89.342%0.41646%0.456SS..PPolyproline II helixtrans-59.6133.1169.123.7-30.3000109.2I225 S226 A246P223-I225 PolarHBondContact O-N 3.19Å; P223-S226 VanDerWaalsContact O-CB 3.32Å; P223-S226 WeakPolarHBondContact O-CB 3.43Å; P223-S226 PolarHBondContact O-N 3.38Å; P223-S226 PolarHBondContact O-OG 3.11Å; P223-A246 HydrophobicContact CG-CB 3.91Å
224Q50.5Low58.8Low80 Ų8084.9 Ų84.937%0.37443%0.434SS..G310 helixtrans-53.4-20.2-163.2-67.8144.8-2800116P222 S226 A227 Q274P222-Q224 PolarHBondContact O-N 3.37Å; Q224-S226 PolarHBondContact O-N 3.47Å; Q224-A227 PolarHBondContact O-N 3.3Å; Q224-Q274 VanDerWaalsContact CD-OE1 3.26Å; Q224-Q274 HydrophobicContact CG-CB 4.42Å; Q224-Q274 VanDerWaalsContact NE2-CB 3.3Å; Q224-Q274 VanDerWaalsContact NE2-CD 3.29Å; Q224-Q274 VanDerWaalsContact NE2-CG 3.33Å
225I48.9Very low61.4Low166 Ų16681.8 Ų81.885%0.85142%0.415SS*.G310 helixtrans-67.8-11.4177.3-49.2167.6000111.7P223P223-I225 PolarHBondContact O-N 3.19Å
226S65.3Low63.7Low3 Ų381.4 Ų81.42%0.02141%0.411CS..G310 helixtrans-92.6-16-178.359.40000115.3P222 P223 Q224 E228 R229 L230P222-S226 WeakPolarHBondContact CB-OG 3.27Å; P223-S226 VanDerWaalsContact O-CB 3.32Å; P223-S226 WeakPolarHBondContact O-CB 3.43Å; P223-S226 PolarHBondContact O-N 3.38Å; P223-S226 PolarHBondContact O-OG 3.11Å; Q224-S226 PolarHBondContact O-N 3.47Å; S226-E228 PolarHBondContact O-N 2.83Å; S226-R229 PolarHBondContact O-N 3.19Å; S226-L230 VanDerWaalsContact O-CB 3.32Å; S226-L230 WeakPolarHBondContact O-CB 3.3Å; S226-L230 WeakPolarHBondContact O-CG 3.34Å; S226-L230 PolarHBondContact O-N 2.92Å
227A68.6Low66Low28 Ų2876.1 Ų76.123%0.23139%0.393CS..Hα-helixtrans-65.4-37.5-165.200000113Q224 R231Q224-A227 PolarHBondContact O-N 3.3Å; A227-R231 VanDerWaalsContact O-CG 3.27Å; A227-R231 WeakPolarHBondContact O-CG 3.12Å; A227-R231 PolarHBondContact O-N 3.42Å
228E73.1Confident68Low115 Ų11573.4 Ų73.454%0.53738%0.378SS..Hα-helixtrans-67.4-45178.4-43.8-143.5110.400111.8R24 S226 R231 D232R24-E228 IonicContact NH2-OE1 3.33Å; R24-E228 PolarHBondContact NH2-OE1 3.45Å; R24-E228 IonicContact NH2-OE2 3.54Å; S226-E228 PolarHBondContact O-N 2.83Å; E228-R231 VanDerWaalsContact CG-NH2 3.29Å; E228-R231 WeakPolarHBondContact O-CB 3.42Å; E228-R231 PolarHBondContact O-N 3.27Å; E228-R231 IonicContact OE1-NH2 3.92Å; E228-R231 PolarHBondContact OE1-NH2 3.46Å; E228-D232 PolarHBondContact O-N 3.16Å
229R78.5Confident69.9Low150 Ų15071.7 Ų71.757%0.56637%0.365SS*.Hα-helixtrans-67.6-38.1179.7-163.6170.6-171.2166.4-1.6111.8S226 D232 W233 F247S226-R229 PolarHBondContact O-N 3.19Å; R229-D232 WeakPolarHBondContact O-CB 3.43Å; R229-D232 PolarHBondContact O-N 2.83Å; R229-W233 HydrophobicContact CG-CD2 4.11Å; R229-W233 HydrophobicContact CG-CE3 4.44Å; R229-W233 HydrophobicContact CG-CH2 3.95Å; R229-W233 HydrophobicContact CG-CZ2 3.65Å; R229-W233 HydrophobicContact CG-CZ3 4.35Å; R229-W233 VanDerWaalsContact O-CG 3.31Å; R229-W233 PolarHBondContact O-N 2.94Å; R229-F247 HydrophobicContact CB-CE1 4.49Å
230L79.7Confident71.1Confident0 Ų079.6 Ų79.60%038%0.384CS..Hα-helixtrans-63.4-42.8172.1-73.9169.7000111.5P222 S226 D232 W233 T234 W238 F247 C250 L264P222-L230 HydrophobicContact CB-CD1 3.71Å; P222-L230 HydrophobicContact CG-CD1 3.73Å; S226-L230 VanDerWaalsContact O-CB 3.32Å; S226-L230 WeakPolarHBondContact O-CB 3.3Å; S226-L230 WeakPolarHBondContact O-CG 3.34Å; S226-L230 PolarHBondContact O-N 2.92Å; L230-D232 VanDerWaalsContact C-N 3.28Å; L230-D232 PolarHBondContact O-N 2.98Å; L230-W233 HydrophobicContact CD2-CE3 4.13Å; L230-W233 HydrophobicContact CD2-CZ3 4.4Å; L230-W233 PolarHBondContact O-N 3.41Å; L230-T234 VanDerWaalsContact O-CB 3.29Å; L230-T234 WeakPolarHBondContact O-CB 3.44Å; L230-T234 PolarHBondContact O-N 2.64Å; L230-T234 PolarHBondContact O-OG1 3.29Å; L230-W238 HydrophobicContact CD2-CH2 3.67Å; L230-W238 HydrophobicContact CD2-CZ3 3.92Å; L230-F247 HydrophobicContact CD2-CD1 4.04Å; L230-F247 HydrophobicContact CG-CD1 4.18Å; L230-F247 HydrophobicContact CG-CE1 4.25Å; L230-C250 HydrophobicContact CD1-CB 4.42Å; L230-C250 HydrophobicContact CD2-CB 3.65Å; L230-L264 HydrophobicContact CB-CD2 3.99Å; L230-L264 HydrophobicContact CD1-CD2 4.12Å
231R82.1Confident72.5Confident40 Ų4079.3 Ų79.315%0.15139%0.386CS..Hα-helixtrans-60.1-41.9174.2-74.4-175.4-53.2-103.69.9111.4A227 E228 R235 V259 D262 L264A227-R231 VanDerWaalsContact O-CG 3.27Å; A227-R231 WeakPolarHBondContact O-CG 3.12Å; A227-R231 PolarHBondContact O-N 3.42Å; E228-R231 VanDerWaalsContact CG-NH2 3.29Å; E228-R231 WeakPolarHBondContact O-CB 3.42Å; E228-R231 PolarHBondContact O-N 3.27Å; E228-R231 IonicContact OE1-NH2 3.92Å; E228-R231 PolarHBondContact OE1-NH2 3.46Å; R231-R235 WeakPolarHBondContact O-CG 3.42Å; R231-R235 PolarHBondContact O-N 2.89Å; R231-R235 VanDerWaalsContact O-N 3.12Å; R231-V259 HydrophobicContact CB-CG2 4.35Å; R231-V259 HydrophobicContact CG-CG2 4.29Å; R231-D262 WeakPolarHBondContact CD-O 3.23Å; R231-L264 HydrophobicContact CG-CB 4.11Å
232D83Confident73.6Confident79 Ų7984.4 Ų84.442%0.42242%0.419SS..Hα-helixtrans-64.8-48.2178.9-168.845.8000112E228 R229 L230 T234 R235 H236E228-D232 PolarHBondContact O-N 3.16Å; R229-D232 WeakPolarHBondContact O-CB 3.43Å; R229-D232 PolarHBondContact O-N 2.83Å; L230-D232 VanDerWaalsContact C-N 3.28Å; L230-D232 PolarHBondContact O-N 2.98Å; D232-T234 PolarHBondContact O-N 3.28Å; D232-R235 PolarHBondContact O-N 2.83Å; D232-R235 VanDerWaalsContact O-N 3.15Å; D232-H236 PolarHBondContact O-N 3.22Å; D232-H236 PolarHBondContact O-ND1 3.33Å; D232-H236 VanDerWaalsContact O-ND1 3.14Å; D232-H236 IonicContact OD1-CE1 2.94Å; D232-H236 PolarHBondContact OD1-CE1 3.23Å; D232-H236 IonicContact OD1-ND1 3Å; D232-H236 PolarHBondContact OD1-ND1 3.08Å
233W85.4Confident74.9Confident26 Ų2684.3 Ų84.310%0.09842%0.419CS..Hα-helixtrans-62.8-39.6175.2-68.7-23000113.4R229 L230 R235 A237 W238 P239 V243 F247R229-W233 HydrophobicContact CG-CD2 4.11Å; R229-W233 HydrophobicContact CG-CE3 4.44Å; R229-W233 HydrophobicContact CG-CH2 3.95Å; R229-W233 HydrophobicContact CG-CZ2 3.65Å; R229-W233 HydrophobicContact CG-CZ3 4.35Å; R229-W233 VanDerWaalsContact O-CG 3.31Å; R229-W233 PolarHBondContact O-N 2.94Å; L230-W233 HydrophobicContact CD2-CE3 4.13Å; L230-W233 HydrophobicContact CD2-CZ3 4.4Å; L230-W233 PolarHBondContact O-N 3.41Å; W233-R235 PolarHBondContact O-N 2.87Å; W233-A237 WeakPolarHBondContact CA-O 3.21Å; W233-A237 CarbonylContact O-C 3.59Å; W233-A237 WeakPolarHBondContact O-CA 3.32Å; W233-A237 PolarHBondContact O-N 3.26Å; W233-A237 VanDerWaalsContact O-N 3.14Å; W233-W238 HydrophobicContact CB-CD2 4.33Å; W233-W238 HydrophobicContact CB-CE3 4.45Å; W233-W238 HydrophobicContact CE3-CE3 4.27Å; W233-W238 HydrophobicContact CE3-CZ3 4.17Å; W233-P239 HydrophobicContact CD2-CG 3.97Å; W233-P239 HydrophobicContact CE3-CG 4.27Å; W233-P239 HydrophobicContact CH2-CG 4.18Å; W233-P239 HydrophobicContact CZ2-CG 3.8Å; W233-P239 HydrophobicContact CZ3-CG 4.38Å; W233-V243 HydrophobicContact CH2-CG1 3.4Å; W233-V243 HydrophobicContact CH2-CG2 4.45Å; W233-V243 HydrophobicContact CZ2-CG1 4.36Å; W233-V243 HydrophobicContact CZ3-CG1 3.86Å; W233-F247 HydrophobicContact CH2-CD1 4.07Å; W233-F247 HydrophobicContact CH2-CD2 4.47Å; W233-F247 HydrophobicContact CH2-CE1 4.08Å; W233-F247 HydrophobicContact CH2-CG 4.24Å; W233-F247 HydrophobicContact CH2-CZ 4.36Å; W233-F247 HydrophobicContact CZ3-CB 4.34Å; W233-F247 AromaticContact CZ3-CD1 3.51Å; W233-F247 HydrophobicContact CZ3-CD1 3.51Å; W233-F247 AromaticContact CZ3-CE1 3.78Å; W233-F247 HydrophobicContact CZ3-CE1 3.78Å; W233-F247 AromaticContact CZ3-CG 3.94Å; W233-F247 HydrophobicContact CZ3-CG 3.94Å; W233-F247 HydrophobicContact CZ3-CZ 4.5Å
234T85.1Confident76.3Confident33 Ų3385 Ų8520%0.20243%0.425CS..Hα-helixtrans-67.5-24.7177.8-500000111.7L230 D232 L257 V259L230-T234 VanDerWaalsContact O-CB 3.29Å; L230-T234 WeakPolarHBondContact O-CB 3.44Å; L230-T234 PolarHBondContact O-N 2.64Å; L230-T234 PolarHBondContact O-OG1 3.29Å; D232-T234 PolarHBondContact O-N 3.28Å; T234-L257 HydrophobicContact CG2-CB 4.45Å; T234-L257 WeakPolarHBondContact CG2-O 3.32Å; T234-V259 HydrophobicContact CG2-CG2 3.76Å
235R83.6Confident77.6Confident131 Ų13187.9 Ų87.949%0.49444%0.438SS..Hα-helixtrans-85.4-46.3177.6-78.9177.9171.2172.30.1113.6R231 D232 W233 V259 D262R231-R235 WeakPolarHBondContact O-CG 3.42Å; R231-R235 PolarHBondContact O-N 2.89Å; R231-R235 VanDerWaalsContact O-N 3.12Å; D232-R235 PolarHBondContact O-N 2.83Å; D232-R235 VanDerWaalsContact O-N 3.15Å; W233-R235 PolarHBondContact O-N 2.87Å; R235-V259 HydrophobicContact CG-CB 4.45Å; R235-D262 IonicContact CZ-OD1 3.41Å; R235-D262 IonicContact NH1-OD1 2.66Å; R235-D262 PolarHBondContact NH1-OD1 3.09Å; R235-D262 IonicContact NH2-OD1 3.67Å; R235-D262 PolarHBondContact NH2-OD1 3.11Å
236H82Confident78.8Confident143 Ų14381.8 Ų81.866%0.66241%0.413SS*.Hα-helixtrans-99.8-53.7-167.6-60.7105.4000112.2D232D232-H236 PolarHBondContact O-N 3.22Å; D232-H236 PolarHBondContact O-ND1 3.33Å; D232-H236 VanDerWaalsContact O-ND1 3.14Å; D232-H236 IonicContact OD1-CE1 2.94Å; D232-H236 PolarHBondContact OD1-CE1 3.23Å; D232-H236 IonicContact OD1-ND1 3Å; D232-H236 PolarHBondContact OD1-ND1 3.08Å
237A83.1Confident79.2Confident68 Ų6882.8 Ų82.856%0.56242%0.417SS*.  trans176.5150.2171.900000109.4W233W233-A237 WeakPolarHBondContact CA-O 3.21Å; W233-A237 CarbonylContact O-C 3.59Å; W233-A237 WeakPolarHBondContact O-CA 3.32Å; W233-A237 PolarHBondContact O-N 3.26Å; W233-A237 VanDerWaalsContact O-N 3.14Å
238W84.1Confident79.5Confident52 Ų5286.6 Ų86.620%0.19743%0.428CS..  trans-72.2141.4170.3-72.984.7000111.2L230 W233 C250 V251 Q254 L257L230-W238 HydrophobicContact CD2-CH2 3.67Å; L230-W238 HydrophobicContact CD2-CZ3 3.92Å; W233-W238 HydrophobicContact CB-CD2 4.33Å; W233-W238 HydrophobicContact CB-CE3 4.45Å; W233-W238 HydrophobicContact CE3-CE3 4.27Å; W233-W238 HydrophobicContact CE3-CZ3 4.17Å; W238-C250 HydrophobicContact CH2-CB 4.29Å; W238-C250 HydrophobicContact CZ3-CB 4.48Å; W238-V251 HydrophobicContact CE3-CG2 4.26Å; W238-V251 HydrophobicContact CZ3-CG2 4.09Å; W238-Q254 HydrophobicContact CD2-CB 3.7Å; W238-Q254 VanDerWaalsContact CE2-CB 3.42Å; W238-Q254 HydrophobicContact CE3-CB 4.1Å; W238-Q254 HydrophobicContact CG-CB 4.23Å; W238-Q254 HydrophobicContact CH2-CB 3.99Å; W238-Q254 HydrophobicContact CZ2-CB 3.59Å; W238-Q254 HydrophobicContact CZ3-CB 4.23Å; W238-L257 HydrophobicContact CH2-CD1 3.5Å; W238-L257 VanDerWaalsContact CH2-CD1 3.5Å; W238-L257 HydrophobicContact CZ2-CB 4.24Å; W238-L257 HydrophobicContact CZ2-CD1 3.6Å
239P81.1Confident79.6Confident47 Ų4783.4 Ų83.431%0.30542%0.418SS..  trans-65.6136.2179.228.8-36.2000110.7W233 V243W233-P239 HydrophobicContact CD2-CG 3.97Å; W233-P239 HydrophobicContact CE3-CG 4.27Å; W233-P239 HydrophobicContact CH2-CG 4.18Å; W233-P239 HydrophobicContact CZ2-CG 3.8Å; W233-P239 HydrophobicContact CZ3-CG 4.38Å; P239-V243 HydrophobicContact CB-CG2 4.4Å; P239-V243 HydrophobicContact CG-CG2 3.51Å
240R76.5Confident79.3Confident253 Ų25376.7 Ų76.796%0.95539%0.393SS*.SBendtrans-77.9-23.9174.5-64.1-177.3-176.2178.20.7113
241N79.2Confident79.3Confident128 Ų12879 Ų7968%0.68441%0.407SS*.SBendtrans-78.9151.6-178.9-68.5-17.6000111.2V243N241-V243 PolarHBondContact O-N 3.05Å; N241-V243 VanDerWaalsContact O-N 3.14Å
242P74.9Confident79.1Confident134 Ų13481 Ų8187%0.8743%0.432SS*.PPolyproline II helixtrans-56122.7176.722-32.2000110.3
243V77Confident78.8Confident31 Ų3179.8 Ų79.819%0.18842%0.424CS..PPolyproline II helixtrans-86.8150.8179.2-162.60000109W233 P239 N241 F247 V251W233-V243 HydrophobicContact CH2-CG1 3.4Å; W233-V243 HydrophobicContact CH2-CG2 4.45Å; W233-V243 HydrophobicContact CZ2-CG1 4.36Å; W233-V243 HydrophobicContact CZ3-CG1 3.86Å; P239-V243 HydrophobicContact CB-CG2 4.4Å; P239-V243 HydrophobicContact CG-CG2 3.51Å; N241-V243 PolarHBondContact O-N 3.05Å; N241-V243 VanDerWaalsContact O-N 3.14Å; V243-F247 HydrophobicContact CB-CB 4.14Å; V243-F247 HydrophobicContact CG1-CB 3.45Å; V243-F247 VanDerWaalsContact CG1-CB 3.45Å; V243-F247 HydrophobicContact CG1-CD2 3.58Å; V243-F247 HydrophobicContact CG1-CE2 4.45Å; V243-F247 HydrophobicContact CG1-CG 3.66Å; V243-V251 HydrophobicContact CB-CG2 4.43Å; V243-V251 HydrophobicContact CG2-CG2 4Å
244S79.9Confident78.6Confident79 Ų7981.7 Ų81.755%0.55243%0.434SS*.  trans-45.4141.8171.8172.90000111.5A246 F247S244-A246 PolarHBondContact O-N 2.9Å; S244-F247 PolarHBondContact O-N 3.22Å
245E78.2Confident78.5Confident139 Ų13987.5 Ų87.565%0.6546%0.464SS*.G310 helixtrans-38.1-39.8177-72.6-83.4162.300113.1F247 K248E245-F247 PolarHBondContact O-N 3.4Å; E245-F247 VanDerWaalsContact O-N 3.12Å; E245-K248 PolarHBondContact O-N 2.94Å; E245-K248 IonicContact OE1-NZ 2.62Å; E245-K248 PolarHBondContact OE1-NZ 3.11Å; E245-K248 WeakPolarHBondContact OE2-CE 3.5Å; E245-K248 IonicContact OE2-NZ 2.91Å; E245-K248 PolarHBondContact OE2-NZ 3.14Å
246A73.7Confident78.5Confident39 Ų3985.3 Ų85.332%0.32246%0.459SS..G310 helixtrans-57.3-25.8179.900000115P223 S244P223-A246 HydrophobicContact CG-CB 3.91Å; S244-A246 PolarHBondContact O-N 2.9Å
247F74.2Confident78.7Confident23 Ų2379.7 Ų79.710%0.10143%0.434CS..G310 helixtrans-104.5-8.5-177.4-62.6-92.5000113.5R229 L230 W233 V243 S244 E245 P249 C250 V251R229-F247 HydrophobicContact CB-CE1 4.49Å; L230-F247 HydrophobicContact CD2-CD1 4.04Å; L230-F247 HydrophobicContact CG-CD1 4.18Å; L230-F247 HydrophobicContact CG-CE1 4.25Å; W233-F247 HydrophobicContact CH2-CD1 4.07Å; W233-F247 HydrophobicContact CH2-CD2 4.47Å; W233-F247 HydrophobicContact CH2-CE1 4.08Å; W233-F247 HydrophobicContact CH2-CG 4.24Å; W233-F247 HydrophobicContact CH2-CZ 4.36Å; W233-F247 HydrophobicContact CZ3-CB 4.34Å; W233-F247 AromaticContact CZ3-CD1 3.51Å; W233-F247 HydrophobicContact CZ3-CD1 3.51Å; W233-F247 AromaticContact CZ3-CE1 3.78Å; W233-F247 HydrophobicContact CZ3-CE1 3.78Å; W233-F247 AromaticContact CZ3-CG 3.94Å; W233-F247 HydrophobicContact CZ3-CG 3.94Å; W233-F247 HydrophobicContact CZ3-CZ 4.5Å; V243-F247 HydrophobicContact CB-CB 4.14Å; V243-F247 HydrophobicContact CG1-CB 3.45Å; V243-F247 VanDerWaalsContact CG1-CB 3.45Å; V243-F247 HydrophobicContact CG1-CD2 3.58Å; V243-F247 HydrophobicContact CG1-CE2 4.45Å; V243-F247 HydrophobicContact CG1-CG 3.66Å; S244-F247 PolarHBondContact O-N 3.22Å; E245-F247 PolarHBondContact O-N 3.4Å; E245-F247 VanDerWaalsContact O-N 3.12Å; F247-P249 VanDerWaalsContact C-CD 3.4Å; F247-P249 VanDerWaalsContact C-N 3.31Å; F247-C250 WeakPolarHBondContact O-CA 3.39Å; F247-C250 WeakPolarHBondContact O-CB 3.21Å; F247-C250 PolarHBondContact O-N 2.86Å; F247-V251 WeakPolarHBondContact O-CG2 3.39Å; F247-V251 PolarHBondContact O-N 2.84Å
248K76.4Confident78.9Confident108 Ų10879 Ų7947%0.4743%0.425SS..Hα-helixtrans-50.5-43.6180-71.3179.5176.7177.50113.2E245 C250 V251 A252E245-K248 PolarHBondContact O-N 2.94Å; E245-K248 IonicContact OE1-NZ 2.62Å; E245-K248 PolarHBondContact OE1-NZ 3.11Å; E245-K248 WeakPolarHBondContact OE2-CE 3.5Å; E245-K248 IonicContact OE2-NZ 2.91Å; E245-K248 PolarHBondContact OE2-NZ 3.14Å; K248-C250 VanDerWaalsContact C-N 3.25Å; K248-C250 PolarHBondContact O-N 2.83Å; K248-V251 PolarHBondContact O-N 2.79Å; K248-A252 PolarHBondContact O-N 3.35Å; K248-A252 VanDerWaalsContact O-N 3.11Å
249P73.4Confident78.9Confident49 Ų4978.3 Ų78.332%0.31843%0.427SS..Hα-helixtrans-63.4-31.4177.3-21.634.1000112.9Q220 F247 H253Q220-P249 HydrophobicContact CB-CB 4.43Å; Q220-P249 HydrophobicContact CB-CG 4.35Å; F247-P249 VanDerWaalsContact C-CD 3.4Å; F247-P249 VanDerWaalsContact C-N 3.31Å; P249-H253 PolarHBondContact O-ND1 2.85Å
250C73.3Confident79Confident8 Ų880.6 Ų80.65%0.05443%0.433CS..Hα-helixtrans-77.1-37.7179.2-57.20000112P222 L230 W238 F247 K248 A252 H253 Q254 L257P222-C250 VanDerWaalsContact CB-SG 3.57Å; P222-C250 VanDerWaalsContact CG-SG 3.5Å; L230-C250 HydrophobicContact CD1-CB 4.42Å; L230-C250 HydrophobicContact CD2-CB 3.65Å; W238-C250 HydrophobicContact CH2-CB 4.29Å; W238-C250 HydrophobicContact CZ3-CB 4.48Å; F247-C250 WeakPolarHBondContact O-CA 3.39Å; F247-C250 WeakPolarHBondContact O-CB 3.21Å; F247-C250 PolarHBondContact O-N 2.86Å; K248-C250 VanDerWaalsContact C-N 3.25Å; K248-C250 PolarHBondContact O-N 2.83Å; C250-A252 VanDerWaalsContact C-N 3.33Å; C250-H253 CarbonylContact O-C 3.57Å; C250-H253 PolarHBondContact O-N 2.8Å; C250-Q254 WeakPolarHBondContact O-CA 3.44Å; C250-Q254 PolarHBondContact O-N 2.87Å; C250-L257 HydrophobicContact CB-CD1 4.3Å
251V78.8Confident79.1Confident49 Ų4972.8 Ų72.830%0.29741%0.409SS..Hα-helixtrans-63-41.9175.7177.50000110.4W238 V243 F247 K248 H253 Q254W238-V251 HydrophobicContact CE3-CG2 4.26Å; W238-V251 HydrophobicContact CZ3-CG2 4.09Å; V243-V251 HydrophobicContact CB-CG2 4.43Å; V243-V251 HydrophobicContact CG2-CG2 4Å; F247-V251 WeakPolarHBondContact O-CG2 3.39Å; F247-V251 PolarHBondContact O-N 2.84Å; K248-V251 PolarHBondContact O-N 2.79Å; V251-H253 PolarHBondContact O-N 3.27Å; V251-Q254 WeakPolarHBondContact O-CB 3.4Å; V251-Q254 WeakPolarHBondContact O-CG 3.33Å; V251-Q254 PolarHBondContact O-N 2.86Å
252A78.3Confident79Confident81 Ų8170.9 Ų70.967%0.66940%0.399SS*.Hα-helixtrans-59.9-32.4176.100000113.2K248 C250K248-A252 PolarHBondContact O-N 3.35Å; K248-A252 VanDerWaalsContact O-N 3.11Å; C250-A252 VanDerWaalsContact C-N 3.33Å
253H76Confident79.4Confident55 Ų5564.8 Ų64.826%0.25536%0.36SS..THydrogen-bonded Turntrans-108.224.4-179.5-55.593.5000112.5P249 C250 V251 N255 E256 L257 R266P249-H253 PolarHBondContact O-ND1 2.85Å; C250-H253 CarbonylContact O-C 3.57Å; C250-H253 PolarHBondContact O-N 2.8Å; V251-H253 PolarHBondContact O-N 3.27Å; H253-N255 PolarHBondContact O-N 3.34Å; H253-E256 IonicContact CD2-OE1 3.91Å; H253-E256 IonicContact CD2-OE2 3.86Å; H253-E256 WeakPolarHBondContact O-CB 3.29Å; H253-E256 PolarHBondContact O-N 3.33Å; H253-L257 PolarHBondContact O-N 3.31Å; H253-R266 PolarHBondContact CD2-NH2 3.29Å; H253-R266 PolarHBondContact NE2-NH2 2.81Å
254Q81.5Confident79.7Confident65 Ų6563.8 Ų63.830%0.30435%0.353SS..G310 helixtrans-58.3-33.7-174.962.9-174.3500113.4W238 C250 V251 E256 L257W238-Q254 HydrophobicContact CD2-CB 3.7Å; W238-Q254 VanDerWaalsContact CE2-CB 3.42Å; W238-Q254 HydrophobicContact CE3-CB 4.1Å; W238-Q254 HydrophobicContact CG-CB 4.23Å; W238-Q254 HydrophobicContact CH2-CB 3.99Å; W238-Q254 HydrophobicContact CZ2-CB 3.59Å; W238-Q254 HydrophobicContact CZ3-CB 4.23Å; C250-Q254 WeakPolarHBondContact O-CA 3.44Å; C250-Q254 PolarHBondContact O-N 2.87Å; V251-Q254 WeakPolarHBondContact O-CB 3.4Å; V251-Q254 WeakPolarHBondContact O-CG 3.33Å; V251-Q254 PolarHBondContact O-N 2.86Å; Q254-E256 VanDerWaalsContact C-N 3.26Å; Q254-E256 PolarHBondContact O-N 3.16Å; Q254-L257 PolarHBondContact O-N 3.39Å
255N82.9Confident80.1Confident156 Ų15660.2 Ų60.283%0.83433%0.328SS*.G310 helixtrans-72.4-19.4178.9-63.1-12.9000112.9H253H253-N255 PolarHBondContact O-N 3.34Å
256E85.1Confident80.4Confident85 Ų8556.5 Ų56.540%0.39731%0.308SS..G310 helixtrans-87.8-11.2176.1-60.8176.4-172.600112.4H253 Q254 R266 A267H253-E256 IonicContact CD2-OE1 3.91Å; H253-E256 IonicContact CD2-OE2 3.86Å; H253-E256 WeakPolarHBondContact O-CB 3.29Å; H253-E256 PolarHBondContact O-N 3.33Å; Q254-E256 VanDerWaalsContact C-N 3.26Å; Q254-E256 PolarHBondContact O-N 3.16Å; E256-R266 HydrophobicContact CB-CG 4.07Å; E256-R266 WeakPolarHBondContact O-CA 3.48Å; E256-R266 IonicContact OE2-CZ 2.89Å; E256-R266 VanDerWaalsContact OE2-CZ 3.27Å; E256-R266 IonicContact OE2-NE 2.76Å; E256-R266 PolarHBondContact OE2-NE 2.98Å; E256-R266 IonicContact OE2-NH2 3.07Å; E256-R266 PolarHBondContact OE2-NH2 3.4Å; E256-A267 PolarHBondContact O-N 2.58Å
257L85.6Confident80.9Confident24 Ų2458.2 Ų58.213%0.12632%0.322CS..EExtended strand (participates in β ladder)trans-91.1129.1-177.2-68.8170.6000110.3T234 W238 C250 H253 Q254 L264 I265 R266T234-L257 HydrophobicContact CG2-CB 4.45Å; T234-L257 WeakPolarHBondContact CG2-O 3.32Å; W238-L257 HydrophobicContact CH2-CD1 3.5Å; W238-L257 VanDerWaalsContact CH2-CD1 3.5Å; W238-L257 HydrophobicContact CZ2-CB 4.24Å; W238-L257 HydrophobicContact CZ2-CD1 3.6Å; C250-L257 HydrophobicContact CB-CD1 4.3Å; H253-L257 PolarHBondContact O-N 3.31Å; Q254-L257 PolarHBondContact O-N 3.39Å; L257-L264 HydrophobicContact CB-CD1 4.5Å; L257-L264 HydrophobicContact CD2-CD1 4.21Å; L257-L264 HydrophobicContact CD2-CD2 4.37Å; L257-L264 HydrophobicContact CD2-CG 4.21Å; L257-I265 CarbonylContact C-O 3.55Å; L257-I265 WeakPolarHBondContact CA-O 3.33Å; L257-R266 HydrophobicContact CD2-CB 3.83Å; L257-R266 HydrophobicContact CD2-CG 4.08Å
258S86.7Confident81.4Confident55 Ų5560.8 Ų60.839%0.38534%0.343SS..EExtended strand (participates in β ladder)trans-134.7157.117558.60000109.7I265S258-I265 PolarHBondContact N-O 3.39Å; S258-I265 PolarHBondContact O-N 3.48Å
259V85.3Confident81.9Confident37 Ų3758.9 Ų58.922%0.22433%0.333CS..EExtended strand (participates in β ladder)trans-116.1123.3174177.10000108.8R231 T234 R235 C263 L264R231-V259 HydrophobicContact CB-CG2 4.35Å; R231-V259 HydrophobicContact CG-CG2 4.29Å; T234-V259 HydrophobicContact CG2-CG2 3.76Å; R235-V259 HydrophobicContact CG-CB 4.45Å; V259-C263 WeakPolarHBondContact CA-O 3.44Å; V259-L264 HydrophobicContact CG2-CD1 4.08Å
260H82Confident82.6Confident94 Ų9456.6 Ų56.644%0.43532%0.318SS..EExtended strand (participates in β ladder)trans-129.2119176.1178.4-91.8000109.2D262 C263 I265H260-D262 PolarHBondContact O-N 3.22Å; H260-C263 PolarHBondContact N-O 3.45Å; H260-C263 VanDerWaalsContact O-CB 3.29Å; H260-C263 WeakPolarHBondContact O-CB 3.14Å; H260-C263 PolarHBondContact O-N 3.1Å; H260-I265 HydrophobicContact CB-CD1 3.62Å
261I79.6Confident83.3Confident89 Ų8957.5 Ų57.546%0.45633%0.326SS..THydrogen-bonded Turntrans46.863.4-176.9-42.4169.1000110.8I13 T17 C263I13-I261 HydrophobicContact CG2-CD1 4.19Å; T17-I261 HydrophobicContact CG2-CB 3.73Å; T17-I261 HydrophobicContact CG2-CG2 3.31Å; T17-I261 WeakPolarHBondContact CG2-O 3.32Å; I261-C263 PolarHBondContact O-N 3.42Å; I261-C263 PolarHBondContact O-SG 3.41Å
262D76.6Confident83.6Confident88 Ų8855.5 Ų55.547%0.47131%0.314SS..THydrogen-bonded Turntrans55.76.2-178.9-66-57.3000116.5R231 R235 H260R231-D262 WeakPolarHBondContact CD-O 3.23Å; R235-D262 IonicContact CZ-OD1 3.41Å; R235-D262 IonicContact NH1-OD1 2.66Å; R235-D262 PolarHBondContact NH1-OD1 3.09Å; R235-D262 IonicContact NH2-OD1 3.67Å; R235-D262 PolarHBondContact NH2-OD1 3.11Å; H260-D262 PolarHBondContact O-N 3.22Å
263C82.3Confident83.9Confident7 Ų754.2 Ų54.25%0.04730%0.299CS..EExtended strand (participates in β ladder)trans-99.2131.1176.6-58.90000109.7C16 V259 H260 I261 I270C16-C263 WeakPolarHBondContact CB-SG 3.31Å; V259-C263 WeakPolarHBondContact CA-O 3.44Å; H260-C263 PolarHBondContact N-O 3.45Å; H260-C263 VanDerWaalsContact O-CB 3.29Å; H260-C263 WeakPolarHBondContact O-CB 3.14Å; H260-C263 PolarHBondContact O-N 3.1Å; I261-C263 PolarHBondContact O-N 3.42Å; I261-C263 PolarHBondContact O-SG 3.41Å; C263-I270 HydrophobicContact CB-CG2 4.21Å
264L84.9Confident84.3Confident9 Ų957.2 Ų57.25%0.04731%0.313CS..EExtended strand (participates in β ladder)trans-77.9124.5170.5-174.771.8000108.5L230 R231 L257 V259 A271L230-L264 HydrophobicContact CB-CD2 3.99Å; L230-L264 HydrophobicContact CD1-CD2 4.12Å; R231-L264 HydrophobicContact CG-CB 4.11Å; L257-L264 HydrophobicContact CB-CD1 4.5Å; L257-L264 HydrophobicContact CD2-CD1 4.21Å; L257-L264 HydrophobicContact CD2-CD2 4.37Å; L257-L264 HydrophobicContact CD2-CG 4.21Å; V259-L264 HydrophobicContact CG2-CD1 4.08Å; L264-A271 HydrophobicContact CB-CB 4.11Å; L264-A271 HydrophobicContact CD2-CB 4.27Å; L264-A271 HydrophobicContact CG-CB 4.41Å; L264-A271 WeakPolarHBondContact O-CB 3.4Å; L264-A271 PolarHBondContact O-N 3.38Å
265I86.6Confident84.4Confident5 Ų558.7 Ų58.73%0.02634%0.336CS..EExtended strand (participates in β ladder)trans-119.4134.5-179.1-60.3-176.2000108L257 S258 H260 A267 R269 I270L257-I265 CarbonylContact C-O 3.55Å; L257-I265 WeakPolarHBondContact CA-O 3.33Å; S258-I265 PolarHBondContact N-O 3.39Å; S258-I265 PolarHBondContact O-N 3.48Å; H260-I265 HydrophobicContact CB-CD1 3.62Å; I265-A267 WeakPolarHBondContact CG2-O 3.38Å; I265-R269 CarbonylContact C-O 3.04Å; I265-R269 WeakPolarHBondContact CA-O 3.29Å; I265-R269 WeakPolarHBondContact CG2-O 3.48Å; I265-I270 HydrophobicContact CG1-CG1 4.31Å
266R85.7Confident84.6Confident60 Ų6052.2 Ų52.223%0.22630%0.301CS..EExtended strand (participates in β ladder)trans-114.3118.3169.2-171.7-178170.3-163.7-4.9108.6H253 E256 L257 S268 R269 L303H253-R266 PolarHBondContact CD2-NH2 3.29Å; H253-R266 PolarHBondContact NE2-NH2 2.81Å; E256-R266 HydrophobicContact CB-CG 4.07Å; E256-R266 WeakPolarHBondContact O-CA 3.48Å; E256-R266 IonicContact OE2-CZ 2.89Å; E256-R266 VanDerWaalsContact OE2-CZ 3.27Å; E256-R266 IonicContact OE2-NE 2.76Å; E256-R266 PolarHBondContact OE2-NE 2.98Å; E256-R266 IonicContact OE2-NH2 3.07Å; E256-R266 PolarHBondContact OE2-NH2 3.4Å; L257-R266 HydrophobicContact CD2-CB 3.83Å; L257-R266 HydrophobicContact CD2-CG 4.08Å; R266-S268 PolarHBondContact O-N 3.14Å; R266-R269 PolarHBondContact N-O 3.27Å; R266-R269 PolarHBondContact O-N 3.28Å; R266-L303 HydrophobicContact CB-CD2 3.74Å; R266-L303 HydrophobicContact CG-CD2 4.47Å
267A83.4Confident84.9Confident75 Ų7549.4 Ų49.462%0.6229%0.287SS*.THydrogen-bonded Turntrans49.5-104.2-170.700000111.7E256 I265E256-A267 PolarHBondContact O-N 2.58Å; I265-A267 WeakPolarHBondContact CG2-O 3.38Å
268S84Confident85.1Confident77 Ų7752.6 Ų52.654%0.53831%0.307SS..THydrogen-bonded Turntrans-107.42.4178.7-68.30000115R266R266-S268 PolarHBondContact O-N 3.14Å
269R88.9Confident85.2Confident69 Ų6951.6 Ų51.626%0.2630%0.302SS..EExtended strand (participates in β ladder)trans-111.3141.7-172.7-58178.3-174.5-179-1.4111.8E217 I265 R266 R299 Y301 L303E217-R269 IonicContact OE1-CZ 3.57Å; E217-R269 IonicContact OE1-NH1 3.19Å; E217-R269 PolarHBondContact OE1-NH1 3.24Å; E217-R269 IonicContact OE1-NH2 3.61Å; E217-R269 PolarHBondContact OE1-NH2 2.72Å; I265-R269 CarbonylContact C-O 3.04Å; I265-R269 WeakPolarHBondContact CA-O 3.29Å; I265-R269 WeakPolarHBondContact CG2-O 3.48Å; R266-R269 PolarHBondContact N-O 3.27Å; R266-R269 PolarHBondContact O-N 3.28Å; R269-R299 PolarHBondContact NE-O 2.86Å; R269-R299 PolarHBondContact NH2-O 3.43Å; R269-Y301 WeakPolarHBondContact CA-O 3.32Å; R269-L303 HydrophobicContact CB-CB 3.97Å
270I87.6Confident85.5Confident0 Ų049.8 Ų49.80%029%0.292CS..EExtended strand (participates in β ladder)trans-95.8126.7-177.1-57.2157.7000108.9R9 I12 I13 C263 I265 V272 Y301 L303R9-I270 HydrophobicContact CG-CD1 4.34Å; I12-I270 HydrophobicContact CB-CD1 4.16Å; I12-I270 HydrophobicContact CG2-CB 4.42Å; I12-I270 HydrophobicContact CG2-CD1 3.73Å; I12-I270 HydrophobicContact CG2-CG2 4.47Å; I13-I270 HydrophobicContact CD1-CD1 4.21Å; I13-I270 HydrophobicContact CG1-CD1 3.44Å; I13-I270 VanDerWaalsContact CG1-CD1 3.44Å; I13-I270 HydrophobicContact CG1-CG1 4.35Å; C263-I270 HydrophobicContact CB-CG2 4.21Å; I265-I270 HydrophobicContact CG1-CG1 4.31Å; I270-V272 HydrophobicContact CG2-CG2 4.47Å; I270-V272 PolarHBondContact O-N 3.47Å; I270-Y301 PolarHBondContact N-O 3.33Å; I270-L303 PolarHBondContact O-N 2.98Å
271A87.5Confident85.9Confident28 Ų2846.1 Ų46.123%0.23128%0.275CS..EExtended strand (participates in β ladder)trans-74.9105.9172.800000109.9L264 L303L264-A271 HydrophobicContact CB-CB 4.11Å; L264-A271 HydrophobicContact CD2-CB 4.27Å; L264-A271 HydrophobicContact CG-CB 4.41Å; L264-A271 WeakPolarHBondContact O-CB 3.4Å; L264-A271 PolarHBondContact O-N 3.38Å; A271-L303 WeakPolarHBondContact CA-O 3.33Å
272V85.9Confident86.4Confident6 Ų647.3 Ų47.34%0.03628%0.279CS..  trans-90125.2-175-176.80000110.6I12 I270 L276 R277 V280 I302 L303 W304I12-V272 HydrophobicContact CG2-CG2 4.21Å; I270-V272 HydrophobicContact CG2-CG2 4.47Å; I270-V272 PolarHBondContact O-N 3.47Å; V272-L276 HydrophobicContact CG1-CB 3.68Å; V272-R277 HydrophobicContact CG1-CG 4.48Å; V272-V280 HydrophobicContact CG1-CG2 3.93Å; V272-I302 HydrophobicContact CG2-CB 4.37Å; V272-I302 HydrophobicContact CG2-CG2 4.05Å; V272-L303 PolarHBondContact N-O 3.01Å; V272-W304 HydrophobicContact CB-CE3 3.52Å; V272-W304 HydrophobicContact CB-CZ3 3.59Å; V272-W304 HydrophobicContact CG1-CE3 4.35Å; V272-W304 HydrophobicContact CG1-CZ3 4.05Å; V272-W304 HydrophobicContact CG2-CE3 3.8Å; V272-W304 HydrophobicContact CG2-CZ3 3.58Å
273P83.7Confident87Confident54 Ų5444.3 Ų44.335%0.35126%0.262SS..  trans-58.1150.6174-23.633.5000112.6A275 L276 R277P273-A275 VanDerWaalsContact C-N 3.26Å; P273-A275 PolarHBondContact O-N 3.21Å; P273-L276 HydrophobicContact CG-CD1 4.46Å; P273-L276 PolarHBondContact O-N 3Å; P273-R277 PolarHBondContact O-N 3.32Å
274Q85.1Confident87.3Confident119 Ų11944 Ų4456%0.55626%0.26SS*.G310 helixtrans-53.8-43.8-178.9-167.2173.8-2.400113Q224 L276 R277Q224-Q274 VanDerWaalsContact CD-OE1 3.26Å; Q224-Q274 HydrophobicContact CG-CB 4.42Å; Q224-Q274 VanDerWaalsContact NE2-CB 3.3Å; Q224-Q274 VanDerWaalsContact NE2-CD 3.29Å; Q224-Q274 VanDerWaalsContact NE2-CG 3.33Å; Q274-L276 PolarHBondContact O-N 3.22Å; Q274-R277 PolarHBondContact O-N 2.99Å; Q274-R277 VanDerWaalsContact O-N 3.16Å
275A83.8Confident87.5Confident95 Ų9544.2 Ų44.279%0.78526%0.261SS*.G310 helixtrans-57.8-22.6-179.400000113.7P273P273-A275 VanDerWaalsContact C-N 3.26Å; P273-A275 PolarHBondContact O-N 3.21Å
276L85.8Confident87.3Confident20 Ų2045.9 Ų45.911%0.10528%0.275CS..G310 helixtrans-102.8-8.3-177-73.4-176.5000115C16 A19 V272 P273 Q274 T278 A279 V280C16-L276 VanDerWaalsContact CA-CD1 3.46Å; C16-L276 HydrophobicContact CB-CD1 4.25Å; A19-L276 HydrophobicContact CB-CD1 3.33Å; A19-L276 HydrophobicContact CB-CD2 3.36Å; A19-L276 HydrophobicContact CB-CG 3.49Å; A19-L276 VanDerWaalsContact CB-CG 3.49Å; V272-L276 HydrophobicContact CG1-CB 3.68Å; P273-L276 HydrophobicContact CG-CD1 4.46Å; P273-L276 PolarHBondContact O-N 3Å; Q274-L276 PolarHBondContact O-N 3.22Å; L276-T278 VanDerWaalsContact C-N 3.26Å; L276-T278 PolarHBondContact O-N 2.84Å; L276-A279 PolarHBondContact O-N 3.25Å; L276-A279 VanDerWaalsContact O-N 3.15Å; L276-V280 WeakPolarHBondContact O-CG2 3.44Å; L276-V280 PolarHBondContact O-N 2.98Å
277R90.9Very high87.1Confident27 Ų2745.6 Ų45.610%0.10229%0.291CS..Hα-helixtrans-57.9-42.3-176.1-68.1-178.2-174173.86.2111.5V272 P273 Q274 A279 V280 L281 W304 D310V272-R277 HydrophobicContact CG1-CG 4.48Å; P273-R277 PolarHBondContact O-N 3.32Å; Q274-R277 PolarHBondContact O-N 2.99Å; Q274-R277 VanDerWaalsContact O-N 3.16Å; R277-A279 PolarHBondContact O-N 3.4Å; R277-V280 PolarHBondContact O-N 3.19Å; R277-L281 WeakPolarHBondContact O-CB 3.15Å; R277-L281 WeakPolarHBondContact O-CG 3.39Å; R277-L281 PolarHBondContact O-N 2.87Å; R277-W304 HydrophobicContact CB-CZ2 4.23Å; R277-W304 HydrophobicContact CG-CD2 4.08Å; R277-W304 HydrophobicContact CG-CE3 4.42Å; R277-W304 HydrophobicContact CG-CG 4.46Å; R277-W304 HydrophobicContact CG-CH2 4.38Å; R277-W304 HydrophobicContact CG-CZ2 4.12Å; R277-D310 IonicContact NH1-OD2 3.5Å
278T90.3Very high87Confident90 Ų9047.6 Ų47.655%0.55229%0.288SS*.Hα-helixtrans-60.2-45.5178-47.40000112.3L276 V280 L281 Q282L276-T278 VanDerWaalsContact C-N 3.26Å; L276-T278 PolarHBondContact O-N 2.84Å; T278-V280 PolarHBondContact O-N 3.46Å; T278-L281 PolarHBondContact O-N 3.34Å; T278-Q282 WeakPolarHBondContact O-CG 3.06Å; T278-Q282 PolarHBondContact O-N 3Å
279A89.6Confident87.1Confident34 Ų3445.3 Ų45.328%0.28127%0.271SS..Hα-helixtrans-64.6-40.4178.200000111.8L276 R277 Q282 L283L276-A279 PolarHBondContact O-N 3.25Å; L276-A279 VanDerWaalsContact O-N 3.15Å; R277-A279 PolarHBondContact O-N 3.4Å; A279-Q282 PolarHBondContact O-N 3.22Å; A279-L283 PolarHBondContact O-N 3.49Å
280V90.3Very high87Confident0 Ų049.5 Ų49.50%029%0.287CS..Hα-helixtrans-67.2-38.4175.71750000111.4I12 L15 V272 L276 R277 T278 L283 L284 I302 W304I12-V280 HydrophobicContact CD1-CG1 4.45Å; I12-V280 HydrophobicContact CG1-CG1 4.31Å; L15-V280 HydrophobicContact CD1-CG2 4.41Å; V272-V280 HydrophobicContact CG1-CG2 3.93Å; L276-V280 WeakPolarHBondContact O-CG2 3.44Å; L276-V280 PolarHBondContact O-N 2.98Å; R277-V280 PolarHBondContact O-N 3.19Å; T278-V280 PolarHBondContact O-N 3.46Å; V280-L283 WeakPolarHBondContact O-CB 3.29Å; V280-L283 PolarHBondContact O-N 3.29Å; V280-L284 HydrophobicContact CG1-CD1 4.24Å; V280-L284 HydrophobicContact CG1-CG 4.38Å; V280-L284 WeakPolarHBondContact O-CG 3.34Å; V280-L284 PolarHBondContact O-N 3.01Å; V280-I302 HydrophobicContact CG1-CG2 3.98Å; V280-W304 HydrophobicContact CB-CH2 4.18Å; V280-W304 HydrophobicContact CB-CZ3 4.49Å; V280-W304 HydrophobicContact CG1-CH2 3.81Å; V280-W304 HydrophobicContact CG1-CZ3 4.05Å
281L91.7Very high87.1Confident16 Ų1652.2 Ų52.28%0.08430%0.301CS..Hα-helixtrans-63.4-41.5175.4-72.7165.5000111.7R277 T278 L283 L284 H285 W304 D310 I311 A314R277-L281 WeakPolarHBondContact O-CB 3.15Å; R277-L281 WeakPolarHBondContact O-CG 3.39Å; R277-L281 PolarHBondContact O-N 2.87Å; T278-L281 PolarHBondContact O-N 3.34Å; L281-L283 VanDerWaalsContact C-N 3.34Å; L281-L284 PolarHBondContact O-N 2.79Å; L281-H285 WeakPolarHBondContact O-CB 3.48Å; L281-H285 PolarHBondContact O-N 3.44Å; L281-W304 HydrophobicContact CD2-CZ2 4.5Å; L281-D310 HydrophobicContact CD1-CB 4.27Å; L281-I311 HydrophobicContact CD2-CB 4.38Å; L281-I311 HydrophobicContact CD2-CG1 3.63Å; L281-A314 HydrophobicContact CB-CB 4.41Å; L281-A314 HydrophobicContact CD1-CB 4.22Å; L281-A314 HydrophobicContact CD2-CB 4.28Å
282Q89.2Confident87.3Confident114 Ų11456.4 Ų56.453%0.53332%0.323SS..Hα-helixtrans-62-41.9172.7-72.8173.8-10.900111.6T278 A279 H285 A286 Y318T278-Q282 WeakPolarHBondContact O-CG 3.06Å; T278-Q282 PolarHBondContact O-N 3Å; A279-Q282 PolarHBondContact O-N 3.22Å; Q282-H285 CarbonylContact O-C 3.32Å; Q282-H285 PolarHBondContact O-N 2.89Å; Q282-A286 PolarHBondContact O-N 3.24Å; Q282-Y318 WeakPolarHBondContact CG-OH 2.89Å
283L88.7Confident87.5Confident25 Ų2562.4 Ų62.413%0.13135%0.345CS..Hα-helixtrans-62.8-43.8175.5-177.272.3000111.9I3 F11 I12 L15 A279 V280 L281 H285 A286I3-L283 HydrophobicContact CD1-CD1 3.46Å; I3-L283 VanDerWaalsContact CD1-CD1 3.46Å; F11-L283 HydrophobicContact CB-CD1 4.31Å; F11-L283 HydrophobicContact CB-CD2 3.68Å; I12-L283 HydrophobicContact CG1-CD2 3.88Å; L15-L283 HydrophobicContact CD1-CD2 3.92Å; A279-L283 PolarHBondContact O-N 3.49Å; V280-L283 WeakPolarHBondContact O-CB 3.29Å; V280-L283 PolarHBondContact O-N 3.29Å; L281-L283 VanDerWaalsContact C-N 3.34Å; L283-H285 PolarHBondContact O-N 3.47Å; L283-A286 WeakPolarHBondContact O-CB 3.3Å; L283-A286 PolarHBondContact O-N 2.99Å; L283-A286 VanDerWaalsContact O-N 3.11Å
284L89.3Confident87.9Confident0 Ų059.9 Ų59.90%033%0.328CS..Hα-helixtrans-65-30.5175.9-71.5173.8000112.2V280 L281 A286 P289 M294 I297 A298 I302V280-L284 HydrophobicContact CG1-CD1 4.24Å; V280-L284 HydrophobicContact CG1-CG 4.38Å; V280-L284 WeakPolarHBondContact O-CG 3.34Å; V280-L284 PolarHBondContact O-N 3.01Å; L281-L284 PolarHBondContact O-N 2.79Å; L284-A286 VanDerWaalsContact C-N 3.29Å; L284-P289 VanDerWaalsContact O-CG 3.23Å; L284-P289 WeakPolarHBondContact O-CG 3.24Å; L284-M294 HydrophobicContact CB-CE 4.13Å; L284-I297 HydrophobicContact CD2-CB 4.04Å; L284-I297 HydrophobicContact CD2-CG2 3.43Å; L284-I297 VanDerWaalsContact CD2-CG2 3.43Å; L284-A298 HydrophobicContact CD1-CB 4.07Å; L284-I302 HydrophobicContact CD1-CD1 4.21Å
285H88.6Confident88.3Confident15 Ų1556 Ų567%0.06931%0.31CS..Hα-helixtrans-80.3-10.2175.7-164.167.9000112.9L281 Q282 L283 G287 H288 M294 Y318 C321L281-H285 WeakPolarHBondContact O-CB 3.48Å; L281-H285 PolarHBondContact O-N 3.44Å; Q282-H285 CarbonylContact O-C 3.32Å; Q282-H285 PolarHBondContact O-N 2.89Å; L283-H285 PolarHBondContact O-N 3.47Å; H285-G287 PolarHBondContact O-N 3.34Å; H285-G287 VanDerWaalsContact O-N 3.14Å; H285-H288 AromaticContact CD2-ND1 3.72Å; H285-H288 AromaticContact CE1-ND1 3.83Å; H285-H288 AromaticContact NE2-CE1 3.7Å; H285-H288 AromaticContact NE2-ND1 3.08Å; H285-H288 PolarHBondContact NE2-ND1 3.08Å; H285-H288 PolarHBondContact O-N 3.43Å; H285-M294 HydrophobicContact CB-CE 3.87Å; H285-Y318 HydrophobicContact CB-CE2 4.05Å; H285-Y318 AromaticContact CD2-CD2 3.79Å; H285-Y318 AromaticContact CD2-CE2 3.94Å; H285-Y318 AromaticContact CD2-CG 3.91Å; H285-Y318 AromaticContact CE1-CD2 3.69Å; H285-Y318 AromaticContact CE1-CG 3.96Å; H285-Y318 AromaticContact CG-CD2 3.79Å; H285-Y318 AromaticContact CG-CE2 3.74Å; H285-Y318 AromaticContact ND1-CD2 3.75Å; H285-Y318 AromaticContact NE2-CD2 3.75Å; H285-Y318 AromaticContact NE2-CG 3.65Å; H285-C321 PolarHBondContact CE1-SG 2.63Å; H285-C321 PolarHBondContact NE2-SG 3.38Å
286A83.8Confident88.6Confident39 Ų3954.4 Ų54.432%0.32229%0.293SS..THydrogen-bonded Turntrans-61119.5178.600000110.4I3 Q282 L283 L284I3-A286 HydrophobicContact CD1-CB 4.04Å; Q282-A286 PolarHBondContact O-N 3.24Å; L283-A286 WeakPolarHBondContact O-CB 3.3Å; L283-A286 PolarHBondContact O-N 2.99Å; L283-A286 VanDerWaalsContact O-N 3.11Å; L284-A286 VanDerWaalsContact C-N 3.29Å
287G80.2Confident88.8Confident54 Ų5454.1 Ų54.156%0.55729%0.291SS*.THydrogen-bonded Turntrans91.59.2-174.200000114.8H285H285-G287 PolarHBondContact O-N 3.34Å; H285-G287 VanDerWaalsContact O-N 3.14Å
288H82.6Confident88.9Confident118 Ų11853 Ų5355%0.54629%0.287SS..  trans49.547.1176.1-55-68.5000115.1H285 C321H285-H288 AromaticContact CD2-ND1 3.72Å; H285-H288 AromaticContact CE1-ND1 3.83Å; H285-H288 AromaticContact NE2-CE1 3.7Å; H285-H288 AromaticContact NE2-ND1 3.08Å; H285-H288 PolarHBondContact NE2-ND1 3.08Å; H285-H288 PolarHBondContact O-N 3.43Å; H288-C321 PolarHBondContact ND1-SG 3.24Å
289P85.4Confident88.9Confident29 Ų2954 Ų5419%0.18828%0.281CS..  trans-64.5146.9172.527.4-32.1000111L284 R293 M294L284-P289 VanDerWaalsContact O-CG 3.23Å; L284-P289 WeakPolarHBondContact O-CG 3.24Å; P289-R293 HydrophobicContact CB-CB 4.03Å; P289-R293 HydrophobicContact CB-CG 3.9Å; P289-M294 HydrophobicContact CB-CG 4.2Å; P289-M294 HydrophobicContact CG-CG 3.6Å; P289-M294 HydrophobicContact CG-SD 4.41Å
290R86.7Confident88.9Confident157 Ų15754.6 Ų54.659%0.59228%0.284SS*.  trans-61.2157.3171.8-67.9-173178-146.61.4111.3V292 R293 M294 H326R290-V292 VanDerWaalsContact C-N 3.27Å; R290-V292 PolarHBondContact O-N 3.32Å; R290-V292 VanDerWaalsContact O-N 3.15Å; R290-R293 WeakPolarHBondContact O-CA 3.38Å; R290-R293 WeakPolarHBondContact O-CB 3.45Å; R290-R293 PolarHBondContact O-N 2.75Å; R290-M294 PolarHBondContact O-N 3.27Å; R290-H326 PolarHBondContact NH1-CD2 3.34Å; R290-H326 PolarHBondContact NH2-CD2 2.91Å; R290-H326 PolarHBondContact NH2-NE2 2.94Å
291I90.2Very high88.8Confident57 Ų5756.8 Ų56.829%0.29229%0.292SS..Hα-helixtrans-52.9-40.5-176.5-168.6166.4000113.9R293 M294 K295 I311 E312 V315I291-R293 VanDerWaalsContact C-N 3.29Å; I291-R293 PolarHBondContact O-N 2.99Å; I291-M294 PolarHBondContact O-N 2.92Å; I291-K295 HydrophobicContact CG1-CD 4.43Å; I291-K295 HydrophobicContact CG1-CG 4.47Å; I291-K295 WeakPolarHBondContact O-CG 3.49Å; I291-K295 PolarHBondContact O-N 3.36Å; I291-I311 HydrophobicContact CG1-CG2 4.24Å; I291-E312 HydrophobicContact CD1-CB 4.3Å; I291-E312 HydrophobicContact CD1-CG 3.66Å; I291-V315 HydrophobicContact CB-CG2 4.47Å; I291-V315 HydrophobicContact CD1-CB 4.48Å; I291-V315 HydrophobicContact CG1-CG2 4.35Å
292V91.3Very high88.8Confident116 Ų11656.3 Ų56.370%0.70329%0.289SS*.Hα-helixtrans-60.4-42177.7179.40000110.9R290 S296R290-V292 VanDerWaalsContact C-N 3.27Å; R290-V292 PolarHBondContact O-N 3.32Å; R290-V292 VanDerWaalsContact O-N 3.15Å; V292-S296 WeakPolarHBondContact O-CB 3.5Å; V292-S296 PolarHBondContact O-N 2.91Å
293R90Very high88.7Confident132 Ų13252.5 Ų52.550%0.49827%0.273SS..Hα-helixtrans-70.5-40.7178.2-177.257.1172.2174.1-3.6111.4P289 R290 I291 S296 I297P289-R293 HydrophobicContact CB-CB 4.03Å; P289-R293 HydrophobicContact CB-CG 3.9Å; R290-R293 WeakPolarHBondContact O-CA 3.38Å; R290-R293 WeakPolarHBondContact O-CB 3.45Å; R290-R293 PolarHBondContact O-N 2.75Å; I291-R293 VanDerWaalsContact C-N 3.29Å; I291-R293 PolarHBondContact O-N 2.99Å; R293-S296 PolarHBondContact O-N 3.18Å; R293-I297 HydrophobicContact CG-CD1 4.08Å; R293-I297 WeakPolarHBondContact O-CG1 3.01Å; R293-I297 PolarHBondContact O-N 3.18Å
294M92Very high88.6Confident0 Ų051.9 Ų51.90%027%0.269CS..Hα-helixtrans-58.4-47.9174.1-70.6-179.568.900111.6L284 H285 P289 R290 I291 S296 I297 A298 I311 V315L284-M294 HydrophobicContact CB-CE 4.13Å; H285-M294 HydrophobicContact CB-CE 3.87Å; P289-M294 HydrophobicContact CB-CG 4.2Å; P289-M294 HydrophobicContact CG-CG 3.6Å; P289-M294 HydrophobicContact CG-SD 4.41Å; R290-M294 PolarHBondContact O-N 3.27Å; I291-M294 PolarHBondContact O-N 2.92Å; M294-S296 VanDerWaalsContact C-N 3.35Å; M294-S296 PolarHBondContact O-N 3.03Å; M294-I297 PolarHBondContact O-N 2.77Å; M294-A298 VanDerWaalsContact O-CB 3.28Å; M294-A298 WeakPolarHBondContact O-CB 3.45Å; M294-A298 PolarHBondContact O-N 3.31Å; M294-I311 HydrophobicContact CB-CG2 3.96Å; M294-I311 HydrophobicContact CE-CG2 4.34Å; M294-V315 HydrophobicContact CE-CG2 4.02Å; M294-V315 HydrophobicContact SD-CG2 3.54Å; M294-V315 VanDerWaalsContact SD-CG2 3.54Å
295K93.4Very high88.4Confident39 Ų3953.9 Ų53.917%0.1728%0.282CS..Hα-helixtrans-61.1-41.1176.4-72.4-177.7177.2-176.60112.4I291 A298 R299 I311 E312I291-K295 HydrophobicContact CG1-CD 4.43Å; I291-K295 HydrophobicContact CG1-CG 4.47Å; I291-K295 WeakPolarHBondContact O-CG 3.49Å; I291-K295 PolarHBondContact O-N 3.36Å; K295-A298 WeakPolarHBondContact O-CB 3.28Å; K295-A298 PolarHBondContact O-N 3.39Å; K295-R299 WeakPolarHBondContact O-CB 3.44Å; K295-R299 VanDerWaalsContact O-CG 3.24Å; K295-R299 WeakPolarHBondContact O-CG 3.19Å; K295-R299 PolarHBondContact O-N 3.2Å; K295-I311 HydrophobicContact CG-CD1 4.27Å; K295-I311 HydrophobicContact CG-CG2 4.06Å; K295-E312 IonicContact NZ-OE1 2.63Å; K295-E312 PolarHBondContact NZ-OE1 2.84Å
296S91.4Very high88.3Confident61 Ų6162.1 Ų62.143%0.42731%0.312SS..Hα-helixtrans-60.5-48.4176171.70000112.1V292 R293 M294 A298 R299 S300V292-S296 WeakPolarHBondContact O-CB 3.5Å; V292-S296 PolarHBondContact O-N 2.91Å; R293-S296 PolarHBondContact O-N 3.18Å; M294-S296 VanDerWaalsContact C-N 3.35Å; M294-S296 PolarHBondContact O-N 3.03Å; S296-A298 VanDerWaalsContact C-N 3.31Å; S296-A298 PolarHBondContact O-N 3.35Å; S296-R299 PolarHBondContact O-N 3.12Å; S296-S300 PolarHBondContact O-N 2.83Å
297I90.1Very high88.7Confident13 Ų1361 Ų617%0.06730%0.303CS..Hα-helixtrans-65.6-38.3177.6-63168000110.7H8 L284 R293 M294 S300 Y301H8-I297 HydrophobicContact CB-CG2 4.32Å; L284-I297 HydrophobicContact CD2-CB 4.04Å; L284-I297 HydrophobicContact CD2-CG2 3.43Å; L284-I297 VanDerWaalsContact CD2-CG2 3.43Å; R293-I297 HydrophobicContact CG-CD1 4.08Å; R293-I297 WeakPolarHBondContact O-CG1 3.01Å; R293-I297 PolarHBondContact O-N 3.18Å; M294-I297 PolarHBondContact O-N 2.77Å; I297-S300 PolarHBondContact O-N 2.93Å; I297-S300 PolarHBondContact O-OG 3.06Å; I297-Y301 HydrophobicContact CG2-CD2 3.92Å; I297-Y301 HydrophobicContact CG2-CE2 4.11Å; I297-Y301 VanDerWaalsContact O-CD2 3.29Å; I297-Y301 WeakPolarHBondContact O-CD2 3.35Å; I297-Y301 PolarHBondContact O-N 3.23Å
298A91.8Very high89.3Confident3 Ų360.9 Ų60.93%0.02529%0.29CS..Hα-helixtrans-59.7-54.617600000111.4L284 M294 K295 S296 S300 Y301 I302 I311L284-A298 HydrophobicContact CD1-CB 4.07Å; M294-A298 VanDerWaalsContact O-CB 3.28Å; M294-A298 WeakPolarHBondContact O-CB 3.45Å; M294-A298 PolarHBondContact O-N 3.31Å; K295-A298 WeakPolarHBondContact O-CB 3.28Å; K295-A298 PolarHBondContact O-N 3.39Å; S296-A298 VanDerWaalsContact C-N 3.31Å; S296-A298 PolarHBondContact O-N 3.35Å; A298-S300 PolarHBondContact O-N 3Å; A298-S300 VanDerWaalsContact O-N 3.08Å; A298-Y301 PolarHBondContact O-N 3.33Å; A298-I302 HydrophobicContact CB-CD1 3.58Å; A298-I302 HydrophobicContact CB-CG1 3.73Å; A298-I302 WeakPolarHBondContact O-CG1 3.36Å; A298-I302 PolarHBondContact O-N 3.41Å; A298-I311 HydrophobicContact CB-CD1 3.36Å
299R91.2Very high89.7Confident112 Ų11261 Ų6142%0.42329%0.288SS..Hα-helixtrans-61.6-21-178.8-69.2170-175.5-176.3-6.3113.3R269 K295 S296 D308R269-R299 PolarHBondContact NE-O 2.86Å; R269-R299 PolarHBondContact NH2-O 3.43Å; K295-R299 WeakPolarHBondContact O-CB 3.44Å; K295-R299 VanDerWaalsContact O-CG 3.24Å; K295-R299 WeakPolarHBondContact O-CG 3.19Å; K295-R299 PolarHBondContact O-N 3.2Å; S296-R299 PolarHBondContact O-N 3.12Å; R299-D308 IonicContact CZ-OD1 2.84Å; R299-D308 IonicContact CZ-OD2 3.49Å; R299-D308 IonicContact NE-OD1 3.27Å; R299-D308 PolarHBondContact NE-OD1 3.31Å; R299-D308 IonicContact NE-OD2 2.64Å; R299-D308 PolarHBondContact NE-OD2 3.42Å; R299-D308 IonicContact NH2-OD1 2.8Å; R299-D308 IonicContact NH2-OD2 2.72Å; R299-D308 PolarHBondContact NH2-OD2 2.89Å
300S88.9Confident90.1Very high47 Ų4761.2 Ų61.233%0.32929%0.288SS..Hα-helixtrans-79.6-27.5174.1600000114S296 I297 A298S296-S300 PolarHBondContact O-N 2.83Å; I297-S300 PolarHBondContact O-N 2.93Å; I297-S300 PolarHBondContact O-OG 3.06Å; A298-S300 PolarHBondContact O-N 3Å; A298-S300 VanDerWaalsContact O-N 3.08Å
301Y88.9Confident90.4Very high45 Ų4553.8 Ų53.818%0.17626%0.26CS..Hα-helixtrans-127.5-23.7-167-59.7-54.2000116S5 H8 R9 R269 I270 I297 A298S5-Y301 PolarHBondContact O-OH 3.03Å; H8-Y301 HydrophobicContact CB-CD2 3.9Å; H8-Y301 HydrophobicContact CB-CE2 3.85Å; R9-Y301 HydrophobicContact CB-CD1 3.69Å; R9-Y301 HydrophobicContact CB-CE1 3.75Å; R9-Y301 HydrophobicContact CB-CG 4.35Å; R9-Y301 HydrophobicContact CG-CD1 4.06Å; R9-Y301 HydrophobicContact CG-CE1 4.4Å; R269-Y301 WeakPolarHBondContact CA-O 3.32Å; I270-Y301 PolarHBondContact N-O 3.33Å; I297-Y301 HydrophobicContact CG2-CD2 3.92Å; I297-Y301 HydrophobicContact CG2-CE2 4.11Å; I297-Y301 VanDerWaalsContact O-CD2 3.29Å; I297-Y301 WeakPolarHBondContact O-CD2 3.35Å; I297-Y301 PolarHBondContact O-N 3.23Å; A298-Y301 PolarHBondContact O-N 3.33Å
302I90.3Very high90.5Very high6 Ų654.5 Ų54.53%0.03126%0.262CS..EExtended strand (participates in β ladder)trans-117.7150.6-172.460.1160000112.1I12 V272 V280 L284 A298 W304 A307I12-I302 HydrophobicContact CD1-CG2 3.82Å; I12-I302 HydrophobicContact CG2-CG2 4.35Å; V272-I302 HydrophobicContact CG2-CB 4.37Å; V272-I302 HydrophobicContact CG2-CG2 4.05Å; V280-I302 HydrophobicContact CG1-CG2 3.98Å; L284-I302 HydrophobicContact CD1-CD1 4.21Å; A298-I302 HydrophobicContact CB-CD1 3.58Å; A298-I302 HydrophobicContact CB-CG1 3.73Å; A298-I302 WeakPolarHBondContact O-CG1 3.36Å; A298-I302 PolarHBondContact O-N 3.41Å; I302-W304 HydrophobicContact CB-CE3 3.83Å; I302-W304 HydrophobicContact CB-CH2 4.34Å; I302-W304 HydrophobicContact CB-CZ3 3.52Å; I302-W304 HydrophobicContact CD1-CD2 4.23Å; I302-W304 HydrophobicContact CD1-CE3 3.74Å; I302-W304 HydrophobicContact CD1-CH2 3.12Å; I302-W304 HydrophobicContact CD1-CZ2 3.6Å; I302-W304 HydrophobicContact CD1-CZ3 3.19Å; I302-W304 HydrophobicContact CG1-CE3 4.26Å; I302-W304 HydrophobicContact CG1-CH2 4.29Å; I302-W304 HydrophobicContact CG1-CZ3 3.91Å; I302-W304 HydrophobicContact CG2-CE3 4.49Å; I302-W304 HydrophobicContact CG2-CH2 4.47Å; I302-W304 HydrophobicContact CG2-CZ3 3.76Å; I302-A307 HydrophobicContact CD1-CB 4.3Å
303L87.9Confident90.5Very high34 Ų3454.4 Ų54.418%0.17825%0.254CS..EExtended strand (participates in β ladder)trans-137.6114.5175.9178.867000109.7R266 R269 I270 A271 V272R266-L303 HydrophobicContact CB-CD2 3.74Å; R266-L303 HydrophobicContact CG-CD2 4.47Å; R269-L303 HydrophobicContact CB-CB 3.97Å; I270-L303 PolarHBondContact O-N 2.98Å; A271-L303 WeakPolarHBondContact CA-O 3.33Å; V272-L303 PolarHBondContact N-O 3.01Å
304W87.6Confident90.5Very high13 Ų1348.5 Ų48.55%0.04923%0.233CC..  trans-161.1161.4166.567.380000111.7V272 R277 V280 L281 I302 R306 A307 D310V272-W304 HydrophobicContact CB-CE3 3.52Å; V272-W304 HydrophobicContact CB-CZ3 3.59Å; V272-W304 HydrophobicContact CG1-CE3 4.35Å; V272-W304 HydrophobicContact CG1-CZ3 4.05Å; V272-W304 HydrophobicContact CG2-CE3 3.8Å; V272-W304 HydrophobicContact CG2-CZ3 3.58Å; R277-W304 HydrophobicContact CB-CZ2 4.23Å; R277-W304 HydrophobicContact CG-CD2 4.08Å; R277-W304 HydrophobicContact CG-CE3 4.42Å; R277-W304 HydrophobicContact CG-CG 4.46Å; R277-W304 HydrophobicContact CG-CH2 4.38Å; R277-W304 HydrophobicContact CG-CZ2 4.12Å; V280-W304 HydrophobicContact CB-CH2 4.18Å; V280-W304 HydrophobicContact CB-CZ3 4.49Å; V280-W304 HydrophobicContact CG1-CH2 3.81Å; V280-W304 HydrophobicContact CG1-CZ3 4.05Å; L281-W304 HydrophobicContact CD2-CZ2 4.5Å; I302-W304 HydrophobicContact CB-CE3 3.83Å; I302-W304 HydrophobicContact CB-CH2 4.34Å; I302-W304 HydrophobicContact CB-CZ3 3.52Å; I302-W304 HydrophobicContact CD1-CD2 4.23Å; I302-W304 HydrophobicContact CD1-CE3 3.74Å; I302-W304 HydrophobicContact CD1-CH2 3.12Å; I302-W304 HydrophobicContact CD1-CZ2 3.6Å; I302-W304 HydrophobicContact CD1-CZ3 3.19Å; I302-W304 HydrophobicContact CG1-CE3 4.26Å; I302-W304 HydrophobicContact CG1-CH2 4.29Å; I302-W304 HydrophobicContact CG1-CZ3 3.91Å; I302-W304 HydrophobicContact CG2-CE3 4.49Å; I302-W304 HydrophobicContact CG2-CH2 4.47Å; I302-W304 HydrophobicContact CG2-CZ3 3.76Å; W304-R306 PolarHBondContact O-N 3.18Å; W304-A307 HydrophobicContact CD2-CB 4.05Å; W304-A307 HydrophobicContact CG-CB 4.09Å; W304-A307 HydrophobicContact CZ2-CB 4.39Å; W304-A307 VanDerWaalsContact NE1-CA 3.33Å; W304-A307 PolarHBondContact O-N 3.43Å; W304-D310 PolarHBondContact NE1-OD2 3.33Å
305P84.3Confident90.3Very high42 Ų4250 Ų5027%0.27324%0.243SC..THydrogen-bonded Turntrans-58.4128.6179-9.415.2000112P221 A307P221-P305 HydrophobicContact CB-CG 4Å; P221-P305 HydrophobicContact CG-CB 3.55Å; P221-P305 HydrophobicContact CG-CG 3.52Å; P305-A307 VanDerWaalsContact C-N 3.27Å; P305-A307 PolarHBondContact O-N 2.93Å
306R87.2Confident90Very high188 Ų18854.5 Ų54.571%0.70926%0.264SS*.THydrogen-bonded Turntrans61.430.2174.7-53.4176.9176.5175.9-0.1114.1W304 D308 K309 D310W304-R306 PolarHBondContact O-N 3.18Å; R306-D308 PolarHBondContact O-N 3.34Å; R306-K309 HydrophobicContact CB-CB 4.24Å; R306-K309 HydrophobicContact CB-CD 4.42Å; R306-K309 HydrophobicContact CB-CG 4.45Å; R306-K309 WeakPolarHBondContact O-CB 3.5Å; R306-K309 PolarHBondContact O-N 2.76Å; R306-D310 PolarHBondContact O-N 3.38Å
307A90.7Very high89.7Confident16 Ų1659.3 Ų59.313%0.13228%0.28CS..Hα-helixtrans-51.8-40.6178.200000113.8I302 W304 P305 K309 D310 I311I302-A307 HydrophobicContact CD1-CB 4.3Å; W304-A307 HydrophobicContact CD2-CB 4.05Å; W304-A307 HydrophobicContact CG-CB 4.09Å; W304-A307 HydrophobicContact CZ2-CB 4.39Å; W304-A307 VanDerWaalsContact NE1-CA 3.33Å; W304-A307 PolarHBondContact O-N 3.43Å; P305-A307 VanDerWaalsContact C-N 3.27Å; P305-A307 PolarHBondContact O-N 2.93Å; A307-K309 VanDerWaalsContact C-N 3.32Å; A307-K309 PolarHBondContact O-N 3.11Å; A307-D310 PolarHBondContact O-N 3.25Å; A307-I311 WeakPolarHBondContact O-CD1 3.4Å; A307-I311 VanDerWaalsContact O-CG1 3.24Å; A307-I311 WeakPolarHBondContact O-CG1 3.37Å; A307-I311 PolarHBondContact O-N 3.41Å
308D92.6Very high89.3Confident51 Ų5161.5 Ų61.527%0.27329%0.288SS..Hα-helixtrans-63-36.4176.8-73.5-23.7000113R299 R306 I311 E312R299-D308 IonicContact CZ-OD1 2.84Å; R299-D308 IonicContact CZ-OD2 3.49Å; R299-D308 IonicContact NE-OD1 3.27Å; R299-D308 PolarHBondContact NE-OD1 3.31Å; R299-D308 IonicContact NE-OD2 2.64Å; R299-D308 PolarHBondContact NE-OD2 3.42Å; R299-D308 IonicContact NH2-OD1 2.8Å; R299-D308 IonicContact NH2-OD2 2.72Å; R299-D308 PolarHBondContact NH2-OD2 2.89Å; R306-D308 PolarHBondContact O-N 3.34Å; D308-I311 PolarHBondContact O-N 2.66Å; D308-E312 WeakPolarHBondContact O-CG 3.46Å; D308-E312 PolarHBondContact O-N 3.5Å
309K92.5Very high88.1Confident119 Ų11965 Ų6552%0.51731%0.312SS..Hα-helixtrans-71.9-40.3176.8-65-169174.7-169.60111.4R306 A307 I311 E312 Q313R306-K309 HydrophobicContact CB-CB 4.24Å; R306-K309 HydrophobicContact CB-CD 4.42Å; R306-K309 HydrophobicContact CB-CG 4.45Å; R306-K309 WeakPolarHBondContact O-CB 3.5Å; R306-K309 PolarHBondContact O-N 2.76Å; A307-K309 VanDerWaalsContact C-N 3.32Å; A307-K309 PolarHBondContact O-N 3.11Å; K309-I311 PolarHBondContact O-N 3.4Å; K309-E312 WeakPolarHBondContact O-CB 3.48Å; K309-E312 PolarHBondContact O-N 2.9Å; K309-Q313 WeakPolarHBondContact O-CG 3.42Å; K309-Q313 PolarHBondContact O-N 3.24Å
310D92.8Very high87.2Confident35 Ų3562.8 Ų62.819%0.18731%0.312CS..Hα-helixtrans-61.4-37.7175.5-66.2-4.4000110.6R277 L281 W304 R306 A307 A314R277-D310 IonicContact NH1-OD2 3.5Å; L281-D310 HydrophobicContact CD1-CB 4.27Å; W304-D310 PolarHBondContact NE1-OD2 3.33Å; R306-D310 PolarHBondContact O-N 3.38Å; A307-D310 PolarHBondContact O-N 3.25Å; D310-A314 VanDerWaalsContact O-CB 3.3Å; D310-A314 WeakPolarHBondContact O-CB 3.43Å; D310-A314 PolarHBondContact O-N 2.8Å
311I92.7Very high86.4Confident0 Ų062.1 Ų62.10%031%0.307CS..Hα-helixtrans-66.2-45.2174.7-67.7163.3000111.3L281 I291 M294 K295 A298 A307 D308 K309 A314 V315L281-I311 HydrophobicContact CD2-CB 4.38Å; L281-I311 HydrophobicContact CD2-CG1 3.63Å; I291-I311 HydrophobicContact CG1-CG2 4.24Å; M294-I311 HydrophobicContact CB-CG2 3.96Å; M294-I311 HydrophobicContact CE-CG2 4.34Å; K295-I311 HydrophobicContact CG-CD1 4.27Å; K295-I311 HydrophobicContact CG-CG2 4.06Å; A298-I311 HydrophobicContact CB-CD1 3.36Å; A307-I311 WeakPolarHBondContact O-CD1 3.4Å; A307-I311 VanDerWaalsContact O-CG1 3.24Å; A307-I311 WeakPolarHBondContact O-CG1 3.37Å; A307-I311 PolarHBondContact O-N 3.41Å; D308-I311 PolarHBondContact O-N 2.66Å; K309-I311 PolarHBondContact O-N 3.4Å; I311-A314 PolarHBondContact O-N 3.25Å; I311-V315 HydrophobicContact CG2-CG2 4.44Å; I311-V315 VanDerWaalsContact O-CG2 3.29Å; I311-V315 WeakPolarHBondContact O-CG2 3.46Å; I311-V315 PolarHBondContact O-N 3.15Å
312E92.5Very high85.6Confident72 Ų7265.7 Ų65.734%0.33633%0.325SS..Hα-helixtrans-58-49.3176.1-75.4165.3-17200111.8I291 K295 D308 K309 A314 V315 Q316I291-E312 HydrophobicContact CD1-CB 4.3Å; I291-E312 HydrophobicContact CD1-CG 3.66Å; K295-E312 IonicContact NZ-OE1 2.63Å; K295-E312 PolarHBondContact NZ-OE1 2.84Å; D308-E312 WeakPolarHBondContact O-CG 3.46Å; D308-E312 PolarHBondContact O-N 3.5Å; K309-E312 WeakPolarHBondContact O-CB 3.48Å; K309-E312 PolarHBondContact O-N 2.9Å; E312-A314 PolarHBondContact O-N 2.91Å; E312-V315 PolarHBondContact O-N 2.91Å; E312-Q316 WeakPolarHBondContact O-CG 3.44Å; E312-Q316 PolarHBondContact O-N 3Å
313Q92Very high84.8Confident114 Ų11473.4 Ų73.453%0.53336%0.361SS..Hα-helixtrans-61.8-43.4178.6-72.4-178.9-7.700111.9K309 Q316 Q317K309-Q313 WeakPolarHBondContact O-CG 3.42Å; K309-Q313 PolarHBondContact O-N 3.24Å; Q313-Q316 PolarHBondContact O-N 2.96Å; Q313-Q317 WeakPolarHBondContact O-CG 3.24Å; Q313-Q317 PolarHBondContact O-N 3.31Å; Q313-Q317 VanDerWaalsContact O-N 3.11Å
314A89.5Confident84.1Confident8 Ų878.3 Ų78.37%0.06639%0.386CS..Hα-helixtrans-61.8-46177.500000111.5L281 D310 I311 E312 Q316 Q317 Y318L281-A314 HydrophobicContact CB-CB 4.41Å; L281-A314 HydrophobicContact CD1-CB 4.22Å; L281-A314 HydrophobicContact CD2-CB 4.28Å; D310-A314 VanDerWaalsContact O-CB 3.3Å; D310-A314 WeakPolarHBondContact O-CB 3.43Å; D310-A314 PolarHBondContact O-N 2.8Å; I311-A314 PolarHBondContact O-N 3.25Å; E312-A314 PolarHBondContact O-N 2.91Å; A314-Q316 VanDerWaalsContact C-N 3.29Å; A314-Q316 PolarHBondContact O-N 3.09Å; A314-Q317 PolarHBondContact O-N 3.32Å; A314-Q317 VanDerWaalsContact O-N 3.1Å; A314-Y318 HydrophobicContact CB-CE2 4.01Å; A314-Y318 WeakPolarHBondContact O-CD2 3.43Å; A314-Y318 WeakPolarHBondContact O-CE2 3.44Å; A314-Y318 PolarHBondContact O-N 2.89Å
315V88.2Confident83.2Confident32 Ų3279.6 Ų79.619%0.19440%0.403CS..Hα-helixtrans-62.2-36.9177.7173.40000111.8I291 M294 I311 E312 Q317 Y318I291-V315 HydrophobicContact CB-CG2 4.47Å; I291-V315 HydrophobicContact CD1-CB 4.48Å; I291-V315 HydrophobicContact CG1-CG2 4.35Å; M294-V315 HydrophobicContact CE-CG2 4.02Å; M294-V315 HydrophobicContact SD-CG2 3.54Å; M294-V315 VanDerWaalsContact SD-CG2 3.54Å; I311-V315 HydrophobicContact CG2-CG2 4.44Å; I311-V315 VanDerWaalsContact O-CG2 3.29Å; I311-V315 WeakPolarHBondContact O-CG2 3.46Å; I311-V315 PolarHBondContact O-N 3.15Å; E312-V315 PolarHBondContact O-N 2.91Å; V315-Q317 VanDerWaalsContact C-N 3.29Å; V315-Q317 PolarHBondContact O-N 3.19Å; V315-Y318 PolarHBondContact O-N 2.91Å
316Q85.8Confident82.4Confident134 Ų13484.8 Ų84.863%0.62642%0.423SS*.Hα-helixtrans-66.8-28.4175.2-73.2173.9100113.2E312 Q313 A314 Q322E312-Q316 WeakPolarHBondContact O-CG 3.44Å; E312-Q316 PolarHBondContact O-N 3Å; Q313-Q316 PolarHBondContact O-N 2.96Å; A314-Q316 VanDerWaalsContact C-N 3.29Å; A314-Q316 PolarHBondContact O-N 3.09Å; Q316-Q322 PolarHBondContact O-NE2 3.04Å
317Q85.7Confident81.6Confident162 Ų16282.7 Ų82.776%0.75743%0.426SS*.Hα-helixtrans-81.7-22.7178-71174.5-1400113.3Q313 A314 V315 S319Q313-Q317 WeakPolarHBondContact O-CG 3.24Å; Q313-Q317 PolarHBondContact O-N 3.31Å; Q313-Q317 VanDerWaalsContact O-N 3.11Å; A314-Q317 PolarHBondContact O-N 3.32Å; A314-Q317 VanDerWaalsContact O-N 3.1Å; V315-Q317 VanDerWaalsContact C-N 3.29Å; V315-Q317 PolarHBondContact O-N 3.19Å; Q317-S319 PolarHBondContact O-N 3.44Å; Q317-S319 VanDerWaalsContact O-N 3.09Å
318Y81.4Confident80.8Confident59 Ų5986.9 Ų86.923%0.23145%0.453CS..  trans-79.292.4-179-69.4-60.7000112.2Q282 H285 A314 V315 P320 C321Q282-Y318 WeakPolarHBondContact CG-OH 2.89Å; H285-Y318 HydrophobicContact CB-CE2 4.05Å; H285-Y318 AromaticContact CD2-CD2 3.79Å; H285-Y318 AromaticContact CD2-CE2 3.94Å; H285-Y318 AromaticContact CD2-CG 3.91Å; H285-Y318 AromaticContact CE1-CD2 3.69Å; H285-Y318 AromaticContact CE1-CG 3.96Å; H285-Y318 AromaticContact CG-CD2 3.79Å; H285-Y318 AromaticContact CG-CE2 3.74Å; H285-Y318 AromaticContact ND1-CD2 3.75Å; H285-Y318 AromaticContact NE2-CD2 3.75Å; H285-Y318 AromaticContact NE2-CG 3.65Å; A314-Y318 HydrophobicContact CB-CE2 4.01Å; A314-Y318 WeakPolarHBondContact O-CD2 3.43Å; A314-Y318 WeakPolarHBondContact O-CE2 3.44Å; A314-Y318 PolarHBondContact O-N 2.89Å; V315-Y318 PolarHBondContact O-N 2.91Å; Y318-P320 VanDerWaalsContact C-CD 3.43Å; Y318-C321 PolarHBondContact O-N 2.91Å
319S66.2Low80Confident75 Ų7590.2 Ų90.252%0.52448%0.477SS..Hα-helixtrans-55.5-38.3-177.365.40000116.2Q317 C321 Q322Q317-S319 PolarHBondContact O-N 3.44Å; Q317-S319 VanDerWaalsContact O-N 3.09Å; S319-C321 VanDerWaalsContact C-N 3.25Å; S319-C321 PolarHBondContact O-N 2.62Å; S319-Q322 PolarHBondContact O-N 2.72Å
320P72.6Confident79.1Confident66 Ų6690.2 Ų90.243%0.42949%0.487SS..Hα-helixtrans-68.6-26.4-177.7-19.734.6000112.9Y318 I324Y318-P320 VanDerWaalsContact C-CD 3.43Å; P320-I324 WeakPolarHBondContact O-CG1 3.3Å
321C73.1Confident78.1Confident33 Ų3397.1 Ų97.122%0.22352%0.518CS..Hα-helixtrans-78-24.6-179.5-700000112.9H285 H288 Y318 S319H285-C321 PolarHBondContact CE1-SG 2.63Å; H285-C321 PolarHBondContact NE2-SG 3.38Å; H288-C321 PolarHBondContact ND1-SG 3.24Å; Y318-C321 PolarHBondContact O-N 2.91Å; S319-C321 VanDerWaalsContact C-N 3.25Å; S319-C321 PolarHBondContact O-N 2.62Å
322Q71.9Confident76.9Confident121 Ų121104.2 Ų104.257%0.56556%0.556SS**Hα-helixtrans-71-35176.5-65.7-174.2-22.100111.5Q316 S319 I324 G325Q316-Q322 PolarHBondContact O-NE2 3.04Å; S319-Q322 PolarHBondContact O-N 2.72Å; Q322-I324 VanDerWaalsContact C-N 3.31Å; Q322-I324 PolarHBondContact O-N 3.35Å; Q322-G325 PolarHBondContact O-N 3.44Å
323Q72.8Confident76Confident167 Ų167108.1 Ų108.178%0.7858%0.579SS**Hα-helixtrans-71.7-23.6-178.2-65.3178-8.300113.6
324I74Confident75.4Confident138 Ų138111.8 Ų111.871%0.70859%0.589SS**THydrogen-bonded Turntrans-97.3-0.6-177.1-53166.3000111.2P320 Q322P320-I324 WeakPolarHBondContact O-CG1 3.3Å; Q322-I324 VanDerWaalsContact C-N 3.31Å; Q322-I324 PolarHBondContact O-N 3.35Å
325G67.7Low75Confident39 Ų39122.1 Ų122.140%0.40263%0.626SS.*SBendtrans-56.9154.4177.400000112.2Q322 D327Q322-G325 PolarHBondContact O-N 3.44Å; G325-D327 PolarHBondContact O-N 3.14Å
326H68.7Low74.8Confident151 Ų151129.4 Ų129.470%0.69965%0.65SS**PPolyproline II helixtrans-64.9134.8164.7-73-54.5000108.3R290R290-H326 PolarHBondContact NH1-CD2 3.34Å; R290-H326 PolarHBondContact NH2-CD2 2.91Å; R290-H326 PolarHBondContact NH2-NE2 2.94Å
327D70.3Confident74.8Confident144 Ų144126.3 Ų126.377%0.7764%0.642SS**PPolyproline II helixtrans-53.2141.6164.4-61.4-47.5000108.9G325G325-D327 PolarHBondContact O-N 3.14Å
328P74.5Confident74.9Confident105 Ų105127.3 Ų127.368%0.68265%0.647SS**PPolyproline II helixtrans-53.1147171.524.8-33000108.9T330P328-T330 PolarHBondContact O-N 2.82Å; P328-T330 VanDerWaalsContact O-N 3.07Å
329P74.1Confident75.3Confident121 Ų121127.2 Ų127.279%0.78666%0.658SS**PPolyproline II helixtrans-51.6125.3175.922.8-32.3000108.3E331P329-E331 PolarHBondContact O-N 3.07Å
330T73.7Confident76.5Confident119 Ų119133.1 Ų133.173%0.7368%0.677SS**  trans-56.5107.3-178.9-48.70000108.6P328P328-T330 PolarHBondContact O-N 2.82Å; P328-T330 VanDerWaalsContact O-N 3.07Å
331E71.8Confident77.4Confident179 Ų179132.4 Ų132.484%0.83668%0.677SS**SBendtrans-80.6130.6-175.5-155.2161.8-151.700108.5P329P329-E331 PolarHBondContact O-N 3.07Å
332N67.5Low78.2Confident150 Ų150136.4 Ų136.480%0.80270%0.703SS**  trans57.983.9-172.5-70.6-32.2000115.6Y334N332-Y334 VanDerWaalsContact C-N 3.28Å; N332-Y334 PolarHBondContact O-N 3.29Å
333L74Confident79Confident154 Ų154141.5 Ų141.581%0.80672%0.717SS**  trans-62.896.6153.5-65.8178.9000107.9R335L333-R335 PolarHBondContact O-N 2.87Å; L333-R335 VanDerWaalsContact O-N 3.09Å
334Y79Confident79.8Confident191 Ų191136.8 Ų136.875%0.74970%0.702SS**PPolyproline II helixtrans-57.7117170.1-172.2-96.1000107.9N332 W336N332-Y334 VanDerWaalsContact C-N 3.28Å; N332-Y334 PolarHBondContact O-N 3.29Å; Y334-W336 PolarHBondContact O-N 2.87Å
335R82.4Confident80.7Confident224 Ų224135.1 Ų135.185%0.84569%0.687SS**PPolyproline II helixtrans-68.7122.4176-179.4179.1-72.8172-1.1107.3L333L333-R335 PolarHBondContact O-N 2.87Å; L333-R335 VanDerWaalsContact O-N 3.09Å
336W83Confident81.7Confident186 Ų186138.6 Ų138.671%0.70570%0.695SS**PPolyproline II helixtrans-53.3134170.7-7195.5000109.8Y334Y334-W336 PolarHBondContact O-N 2.87Å
337P87.1Confident82.8Confident69 Ų69138.4 Ų138.445%0.44869%0.694SS.*PPolyproline II helixtrans-61.2147.9177.521-28.3000110.3R345P337-R345 PolarHBondContact O-NH1 3.42Å
338E87.9Confident83.8Confident183 Ų183137.5 Ų137.586%0.85569%0.694SS**PPolyproline II helixtrans-65.5153179.4-164.5160.9-161.800111.1E340E338-E340 PolarHBondContact O-N 3.09Å
339A89.4Confident84.7Confident57 Ų57139.8 Ų139.847%0.47170%0.7SS.*PPolyproline II helixtrans-76.3121.9179.900000109.9S344A339-S344 WeakPolarHBondContact CB-OG 3.2Å
340E91.2Very high85.4Confident198 Ų198143.7 Ų143.793%0.92570%0.701SS**SBendtrans-75.2-25.4-173.4-64179.1177.500113.7E338E338-E340 PolarHBondContact O-N 3.09Å
341A91.3Very high86.1Confident51 Ų51147.7 Ų147.742%0.42171%0.708SS.*SBendtrans-147156.7-178.800000111.9W343 S344A341-W343 PolarHBondContact O-N 3.41Å; A341-S344 PolarHBondContact N-OG 3.23Å; A341-S344 WeakPolarHBondContact O-CB 3.45Å; A341-S344 PolarHBondContact O-N 2.64Å; A341-S344 VanDerWaalsContact O-N 3.08Å; A341-S344 PolarHBondContact O-OG 2.72Å
342P90Very high86.4Confident118 Ų118149.3 Ų149.377%0.76671%0.707SS**THydrogen-bonded Turntrans-51.9137.8169.1-2434000110.6S344P342-S344 PolarHBondContact O-N 3.08Å
343W88.8Confident87Confident228 Ų228147.9 Ų147.986%0.86471%0.706SS**THydrogen-bonded Turntrans65.67.9-176.9-51.594000116.5A341 I346A341-W343 PolarHBondContact O-N 3.41Å; W343-I346 HydrophobicContact CE3-CD1 3.86Å; W343-I346 HydrophobicContact CZ3-CD1 4.28Å
344S89.9Confident86.7Confident68 Ų68153.9 Ų153.948%0.47673%0.726SS.*SBendtrans-72.6-26.8177.761.20000114.6A339 A341 P342A339-S344 WeakPolarHBondContact CB-OG 3.2Å; A341-S344 PolarHBondContact N-OG 3.23Å; A341-S344 WeakPolarHBondContact O-CB 3.45Å; A341-S344 PolarHBondContact O-N 2.64Å; A341-S344 VanDerWaalsContact O-N 3.08Å; A341-S344 PolarHBondContact O-OG 2.72Å; P342-S344 PolarHBondContact O-N 3.08Å
345R91.5Very high87.1Confident102 Ų102152.1 Ų152.139%0.38573%0.725SS.*  trans-146.5129.7174.2-173.3175.7-62.5151.811.6110.6P337P337-R345 PolarHBondContact O-NH1 3.42Å
346I89.6Confident87.3Confident112 Ų112148.3 Ų148.357%0.57472%0.718SS**  trans-122.3122.4178.8-52.7173.8000107.9W343 V348W343-I346 HydrophobicContact CE3-CD1 3.86Å; W343-I346 HydrophobicContact CZ3-CD1 4.28Å; I346-V348 HydrophobicContact CG2-CG2 3.92Å
347H91.4Very high87.6Confident147 Ų147146.2 Ų146.268%0.68172%0.719SS**  trans-92.4122.7171-70.3-93.1000108.6
348V91.8Very high87.6Confident126 Ų126150.7 Ų150.776%0.76474%0.735SS**  trans-117.6129.5177.9-174.90000108.2I346I346-V348 HydrophobicContact CG2-CG2 3.92Å
349D93.5Very high87.6Confident152 Ų152148.7 Ų148.781%0.81373%0.728SS**  trans-133.2152.5176.1-1659.3000109.9
350Y87.9Confident87.5Confident204 Ų204154.8 Ų154.880%0.875%0.745SS**  trans-96115.7176.2-75.4-81.7000110.1R352Y350-R352 PolarHBondContact O-N 3.48Å
351F88.1Confident87.2Confident203 Ų203151.7 Ų151.789%0.8973%0.732SS**PPolyproline II helixtrans-73.1118165.2-162.9-101.2000109.2
352R79.4Confident86.9Confident212 Ų212159.5 Ų159.580%0.876%0.756SS**PPolyproline II helixtrans-78.5159.8-177.6-70.4-161.9-161.6-177.56.6111.8Y350Y350-R352 PolarHBondContact O-N 3.48Å
353P79.8Confident86.6Confident121 Ų121162.9 Ų162.979%0.78676%0.755SS**PPolyproline II helixtrans-76.9161.9-142.427.2-33.8000117.6
354F67.9Low86.4Confident280 Ų280157 Ų157100%1.22875%0.745SS**  trans-600-173.5-60.7-82.3000116.8

Retrieved 354 of 354 residues in 877.7 ms (Link to these results)