A0A096MX42_PAPAN Loading...

Protein SDA1

Required for 60S pre-ribosomal subunits export to the cytoplasm.

AlphaFold DB , UniProt , Accession A0A096MX42, Species PAPAN (Papio anubis, Olive baboon), Gene SDAD1, Length 688 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
1M37.1Very low51.5Low253 Ų253130.6 Ų130.6100%1.24669%0.694SS**  0104.50-66.1-160.8-16300108.3
2S35.9Very low54.3Low121 Ų121125 Ų12585%0.84667%0.665SS**  trans-112.6114.1173.9-169.60000107R4S2-R4 PolarHBondContact O-N 3.1Å
3S33.8Very low56.7Low110 Ų110116.9 Ų116.977%0.76962%0.622SS**  trans-61.7108.8-179.8-174.80000109.1N5S3-N5 PolarHBondContact O-N 2.89Å; S3-N5 VanDerWaalsContact O-N 3.14Å
4R40Very low58.8Low210 Ų210114.7 Ų114.779%0.79262%0.617SS**  trans-49112.1167.1-99.8177175173.2-1.8109.1S2 N6S2-R4 PolarHBondContact O-N 3.1Å; R4-N6 HydrophobicContact CB-CB 3.47Å; R4-N6 VanDerWaalsContact CB-CB 3.47Å; R4-N6 HydrophobicContact CG-CB 3.71Å; R4-N6 PolarHBondContact O-N 3.08Å
5N45.5Very low60.7Low169 Ų169113.7 Ų113.790%0.90461%0.607SS**  trans-64.130.9163.4-92-17.8000112.8S3S3-N5 PolarHBondContact O-N 2.89Å; S3-N5 VanDerWaalsContact O-N 3.14Å
6N50.4Low62.4Low94 Ų94106.6 Ų106.650%0.50357%0.569SS.*  trans-120.137.1-140-137.342.9000114.6R4R4-N6 HydrophobicContact CB-CB 3.47Å; R4-N6 VanDerWaalsContact CB-CB 3.47Å; R4-N6 HydrophobicContact CG-CB 3.71Å; R4-N6 PolarHBondContact O-N 3.08Å
7N57.3Low63.9Low144 Ų144102.1 Ų102.177%0.7754%0.544SS*.SBendtrans-151.222174.7-110.10.8000116.1
8K60.8Low65.3Low165 Ų165101 Ų10172%0.71754%0.538SS*.  trans-94.5-0.5170.3-69-173.1-179.7-178.40113.8S11 N12K8-S11 WeakPolarHBondContact CA-OG 3.5Å; K8-S11 PolarHBondContact O-N 2.88Å; K8-S11 PolarHBondContact O-OG 2.95Å; K8-N12 WeakPolarHBondContact O-CB 3.32Å; K8-N12 PolarHBondContact O-N 3.47Å; K8-N12 VanDerWaalsContact O-N 3.07Å
9L67.4Low66.5Low51 Ų5197.8 Ų97.827%0.26752%0.521SS..THydrogen-bonded Turntrans-59-46.4178.7-92.4143.3000112.8S11 N12 L19L9-S11 VanDerWaalsContact C-N 3.27Å; L9-S11 PolarHBondContact O-N 3.04Å; L9-N12 PolarHBondContact O-N 2.81Å; L9-L19 HydrophobicContact CD2-CD1 3.4Å; L9-L19 VanDerWaalsContact CD2-CD1 3.4Å
10P67.1Low67.7Low30 Ų3092.9 Ų92.920%0.19550%0.495CS..THydrogen-bonded Turntrans-65-28.9176.3-22.834.4000113.5Q34P10-Q34 PolarHBondContact O-NE2 3.45Å
11S71.1Confident68.6Low90 Ų9093.2 Ų93.263%0.62949%0.492SS*.THydrogen-bonded Turntrans-83.3-15.5178.653.50000114.2K8 L9K8-S11 WeakPolarHBondContact CA-OG 3.5Å; K8-S11 PolarHBondContact O-N 2.88Å; K8-S11 PolarHBondContact O-OG 2.95Å; L9-S11 VanDerWaalsContact C-N 3.27Å; L9-S11 PolarHBondContact O-N 3.04Å
12N85.4Confident71.1Confident63 Ų6390.2 Ų90.234%0.33747%0.467SS..  trans-108.479.5-177.6-169.8-3.5000110.7K8 L9 P14 Q15 L16K8-N12 WeakPolarHBondContact O-CB 3.32Å; K8-N12 PolarHBondContact O-N 3.47Å; K8-N12 VanDerWaalsContact O-N 3.07Å; L9-N12 PolarHBondContact O-N 2.81Å; N12-P14 WeakPolarHBondContact OD1-CD 3.46Å; N12-Q15 HydrophobicContact CB-CB 4.2Å; N12-Q15 WeakPolarHBondContact ND2-CB 3.43Å; N12-Q15 PolarHBondContact ND2-OE1 3.25Å; N12-Q15 PolarHBondContact O-N 3.34Å; N12-Q15 VanDerWaalsContact O-N 3.13Å; N12-L16 PolarHBondContact O-N 2.92Å
13L84.9Confident73.6Confident20 Ų2088.1 Ų88.111%0.10545%0.446CS..Hα-helixtrans-54.3-42.3-176.7-60.8176000113.8Q15 L16 Q17 Q34 E58 L59 F62L13-Q15 PolarHBondContact O-N 2.95Å; L13-L16 PolarHBondContact O-N 2.97Å; L13-Q17 VanDerWaalsContact O-CB 3.26Å; L13-Q17 WeakPolarHBondContact O-CB 3.44Å; L13-Q17 PolarHBondContact O-N 2.88Å; L13-Q34 HydrophobicContact CD2-CG 4.13Å; L13-E58 HydrophobicContact CD1-CB 3.9Å; L13-L59 HydrophobicContact CD1-CD2 4.24Å; L13-L59 HydrophobicContact CD2-CD2 4.47Å; L13-F62 HydrophobicContact CB-CD2 3.86Å; L13-F62 HydrophobicContact CB-CE2 4.38Å; L13-F62 HydrophobicContact CB-CG 4.39Å; L13-F62 HydrophobicContact CD1-CB 4.4Å; L13-F62 HydrophobicContact CD2-CD1 4.36Å; L13-F62 HydrophobicContact CD2-CD2 4.07Å; L13-F62 HydrophobicContact CD2-CE2 4.2Å; L13-F62 HydrophobicContact CD2-CG 4.13Å; L13-F62 HydrophobicContact CD2-CZ 4.42Å; L13-F62 HydrophobicContact CG-CD2 4.49Å; L13-F62 WeakPolarHBondContact O-CE2 3.42Å
14P86.9Confident76.2Confident86 Ų8684.8 Ų84.856%0.55842%0.422SS*.Hα-helixtrans-61.8-38.9176.5-25.934.4000114.4N12 N18N12-P14 WeakPolarHBondContact OD1-CD 3.46Å; P14-N18 PolarHBondContact O-N 3.29Å
15Q86.4Confident78.5Confident99 Ų9979 Ų7946%0.46341%0.412SS..Hα-helixtrans-70.6-44.8178.8-175.7174.17.900110.7N12 L13 Q17 N18 L19N12-Q15 HydrophobicContact CB-CB 4.2Å; N12-Q15 WeakPolarHBondContact ND2-CB 3.43Å; N12-Q15 PolarHBondContact ND2-OE1 3.25Å; N12-Q15 PolarHBondContact O-N 3.34Å; N12-Q15 VanDerWaalsContact O-N 3.13Å; L13-Q15 PolarHBondContact O-N 2.95Å; Q15-Q17 VanDerWaalsContact C-N 3.29Å; Q15-Q17 PolarHBondContact O-N 3.25Å; Q15-N18 PolarHBondContact O-N 3.25Å; Q15-L19 HydrophobicContact CG-CD1 4.44Å; Q15-L19 WeakPolarHBondContact O-CG 3.48Å; Q15-L19 PolarHBondContact O-N 3.49Å
16L87.9Confident80.5Confident0 Ų073.7 Ų73.70%039%0.391CS..Hα-helixtrans-60.2-40.7175.8-178.658.9000111.4N12 L13 N18 L19 I20 Y27 E30 Q34 F62N12-L16 PolarHBondContact O-N 2.92Å; L13-L16 PolarHBondContact O-N 2.97Å; L16-N18 PolarHBondContact O-N 3.34Å; L16-L19 PolarHBondContact O-N 3.28Å; L16-I20 HydrophobicContact CD1-CD1 3.94Å; L16-I20 HydrophobicContact CD1-CG1 4.16Å; L16-I20 HydrophobicContact CD2-CD1 4.39Å; L16-I20 HydrophobicContact CG-CD1 3.72Å; L16-I20 HydrophobicContact CG-CG1 4.37Å; L16-I20 WeakPolarHBondContact O-CB 3.24Å; L16-I20 VanDerWaalsContact O-CG1 3.32Å; L16-I20 WeakPolarHBondContact O-CG1 3.47Å; L16-I20 PolarHBondContact O-N 2.9Å; L16-Y27 HydrophobicContact CD1-CD1 4.39Å; L16-E30 HydrophobicContact CD1-CB 3.91Å; L16-E30 HydrophobicContact CD2-CB 4.27Å; L16-Q34 HydrophobicContact CD2-CG 4.1Å; L16-F62 HydrophobicContact CB-CE2 4.19Å; L16-F62 HydrophobicContact CD2-CE2 4.12Å; L16-F62 HydrophobicContact CD2-CZ 3.67Å; L16-F62 HydrophobicContact CG-CE2 4.08Å; L16-F62 HydrophobicContact CG-CZ 3.93Å
17Q88.7Confident82.3Confident30 Ų3072 Ų7214%0.1438%0.378CS..Hα-helixtrans-59.4-43.3176.6-176-150.9-4.600112.7L13 Q15 L19 K21 F62 Q65 I66L13-Q17 VanDerWaalsContact O-CB 3.26Å; L13-Q17 WeakPolarHBondContact O-CB 3.44Å; L13-Q17 PolarHBondContact O-N 2.88Å; Q15-Q17 VanDerWaalsContact C-N 3.29Å; Q15-Q17 PolarHBondContact O-N 3.25Å; Q17-L19 VanDerWaalsContact C-N 3.35Å; Q17-K21 HydrophobicContact CG-CD 4.41Å; Q17-K21 WeakPolarHBondContact O-CB 3.45Å; Q17-K21 WeakPolarHBondContact O-CG 3.47Å; Q17-K21 PolarHBondContact O-N 2.75Å; Q17-K21 VanDerWaalsContact O-N 3.08Å; Q17-F62 HydrophobicContact CB-CD2 4.13Å; Q17-F62 HydrophobicContact CB-CE2 4.06Å; Q17-Q65 HydrophobicContact CG-CB 4.34Å; Q17-I66 HydrophobicContact CB-CD1 4.44Å; Q17-I66 HydrophobicContact CG-CD1 4.37Å; Q17-I66 HydrophobicContact CG-CG1 4.22Å
18N89.6Confident83.8Confident83 Ų8367.8 Ų67.844%0.44436%0.355SS..Hα-helixtrans-66-40.4178.9-168.4-10.3000111.1P14 Q15 L16 K21 R22P14-N18 PolarHBondContact O-N 3.29Å; Q15-N18 PolarHBondContact O-N 3.25Å; L16-N18 PolarHBondContact O-N 3.34Å; N18-K21 PolarHBondContact O-N 2.93Å; N18-R22 WeakPolarHBondContact O-CG 3.44Å; N18-R22 PolarHBondContact O-N 3.19Å; N18-R22 PolarHBondContact OD1-NE 3.38Å
19L87.8Confident85.1Confident40 Ų4067.6 Ų67.621%0.20936%0.356CS..Hα-helixtrans-65.6-47.5177.7-68.1173.8000112L9 Q15 L16 Q17 K21 R22 D23 Y27L9-L19 HydrophobicContact CD2-CD1 3.4Å; L9-L19 VanDerWaalsContact CD2-CD1 3.4Å; Q15-L19 HydrophobicContact CG-CD1 4.44Å; Q15-L19 WeakPolarHBondContact O-CG 3.48Å; Q15-L19 PolarHBondContact O-N 3.49Å; L16-L19 PolarHBondContact O-N 3.28Å; Q17-L19 VanDerWaalsContact C-N 3.35Å; L19-K21 VanDerWaalsContact C-N 3.27Å; L19-K21 PolarHBondContact O-N 2.88Å; L19-R22 PolarHBondContact O-N 3.42Å; L19-D23 PolarHBondContact O-N 3.37Å; L19-Y27 HydrophobicContact CB-CD2 4.07Å; L19-Y27 HydrophobicContact CB-CE1 4.25Å; L19-Y27 HydrophobicContact CB-CE2 3.64Å; L19-Y27 HydrophobicContact CD1-CE1 4.2Å
20I89.3Confident86.1Confident0 Ų067.9 Ų67.90%036%0.356CS..Hα-helixtrans-58.4-39.3175.5-70.4167.8000111.4L16 R22 D23 P24 Y27 F31 F62 I66 C69 Y70L16-I20 HydrophobicContact CD1-CD1 3.94Å; L16-I20 HydrophobicContact CD1-CG1 4.16Å; L16-I20 HydrophobicContact CD2-CD1 4.39Å; L16-I20 HydrophobicContact CG-CD1 3.72Å; L16-I20 HydrophobicContact CG-CG1 4.37Å; L16-I20 WeakPolarHBondContact O-CB 3.24Å; L16-I20 VanDerWaalsContact O-CG1 3.32Å; L16-I20 WeakPolarHBondContact O-CG1 3.47Å; L16-I20 PolarHBondContact O-N 2.9Å; I20-R22 VanDerWaalsContact C-N 3.26Å; I20-R22 PolarHBondContact O-N 3.43Å; I20-D23 CarbonylContact O-C 3.13Å; I20-P24 WeakPolarHBondContact O-CA 3.24Å; I20-P24 VanDerWaalsContact O-CD 3.31Å; I20-P24 WeakPolarHBondContact O-CD 3.47Å; I20-P24 VanDerWaalsContact O-CG 3.31Å; I20-P24 WeakPolarHBondContact O-CG 3.27Å; I20-P24 VanDerWaalsContact O-N 3.16Å; I20-Y27 HydrophobicContact CG1-CG 4.32Å; I20-F31 HydrophobicContact CD1-CB 4.37Å; I20-F62 HydrophobicContact CD1-CE2 4.43Å; I20-F62 HydrophobicContact CD1-CZ 3.84Å; I20-I66 HydrophobicContact CD1-CD1 3.68Å; I20-I66 HydrophobicContact CG2-CD1 4.39Å; I20-I66 HydrophobicContact CG2-CG1 4.17Å; I20-I66 HydrophobicContact CG2-CG2 3.7Å; I20-C69 HydrophobicContact CG2-CB 4.3Å; I20-Y70 HydrophobicContact CG2-CE2 3.6Å
21K88.2Confident87.1Confident100 Ų10066.4 Ų66.444%0.43535%0.347SS..Hα-helixtrans-68.5-23.7177.9-78.3175170.5178.80113.8Q17 N18 L19Q17-K21 HydrophobicContact CG-CD 4.41Å; Q17-K21 WeakPolarHBondContact O-CB 3.45Å; Q17-K21 WeakPolarHBondContact O-CG 3.47Å; Q17-K21 PolarHBondContact O-N 2.75Å; Q17-K21 VanDerWaalsContact O-N 3.08Å; N18-K21 PolarHBondContact O-N 2.93Å; L19-K21 VanDerWaalsContact C-N 3.27Å; L19-K21 PolarHBondContact O-N 2.88Å
22R88.6Confident88Confident189 Ų18964.7 Ų64.771%0.71333%0.33SS*.Hα-helixtrans-85.1-42.6178-71173.1-175.8-152.9-6.3111.5N18 L19 I20N18-R22 WeakPolarHBondContact O-CG 3.44Å; N18-R22 PolarHBondContact O-N 3.19Å; N18-R22 PolarHBondContact OD1-NE 3.38Å; L19-R22 PolarHBondContact O-N 3.42Å; I20-R22 VanDerWaalsContact C-N 3.26Å; I20-R22 PolarHBondContact O-N 3.43Å
23D89.4Confident88.2Confident78 Ų7866.8 Ų66.842%0.41734%0.338SS..  trans-143.882.8-178-167.810.1000111.3L19 I20 P25 A26 Y27L19-D23 PolarHBondContact O-N 3.37Å; I20-D23 CarbonylContact O-C 3.13Å; D23-P25 VanDerWaalsContact OD1-CD 3.25Å; D23-P25 WeakPolarHBondContact OD1-CD 3.42Å; D23-P25 VanDerWaalsContact OD1-CG 3.31Å; D23-P25 WeakPolarHBondContact OD1-CG 3.47Å; D23-A26 HydrophobicContact CB-CB 4.41Å; D23-A26 PolarHBondContact O-N 3.08Å; D23-A26 WeakPolarHBondContact OD2-CB 3.28Å; D23-Y27 VanDerWaalsContact O-CD2 3.32Å; D23-Y27 WeakPolarHBondContact O-CD2 3.32Å
24P88.5Confident88.4Confident39 Ų3966.6 Ų66.625%0.25334%0.336SS..THydrogen-bonded Turntrans-54.9-46.8-179.5-23.531.8000115.4I20 A26 Y27 C69 Y70I20-P24 WeakPolarHBondContact O-CA 3.24Å; I20-P24 VanDerWaalsContact O-CD 3.31Å; I20-P24 WeakPolarHBondContact O-CD 3.47Å; I20-P24 VanDerWaalsContact O-CG 3.31Å; I20-P24 WeakPolarHBondContact O-CG 3.27Å; I20-P24 VanDerWaalsContact O-N 3.16Å; P24-A26 VanDerWaalsContact C-N 3.26Å; P24-A26 PolarHBondContact O-N 2.98Å; P24-Y27 PolarHBondContact O-N 3.32Å; P24-C69 HydrophobicContact CB-CB 4.25Å; P24-C69 HydrophobicContact CG-CB 4.2Å; P24-Y70 HydrophobicContact CB-CE1 4.01Å; P24-Y70 WeakPolarHBondContact O-CE1 3.45Å; P24-Y70 PolarHBondContact O-OH 3.46Å
25P86.6Confident88.6Confident90 Ų9063.3 Ų63.358%0.58431%0.313SS*.G310 helixtrans-64.6-28.3-17424.7-34.9000113.9D23 Y27D23-P25 VanDerWaalsContact OD1-CD 3.25Å; D23-P25 WeakPolarHBondContact OD1-CD 3.42Å; D23-P25 VanDerWaalsContact OD1-CG 3.31Å; D23-P25 WeakPolarHBondContact OD1-CG 3.47Å; P25-Y27 VanDerWaalsContact C-N 3.34Å; P25-Y27 PolarHBondContact O-N 3.17Å
26A88.3Confident88.9Confident56 Ų5663 Ų6346%0.46332%0.315SS..G310 helixtrans-73.1-22.8-177.500000114.2D23 P24D23-A26 HydrophobicContact CB-CB 4.41Å; D23-A26 PolarHBondContact O-N 3.08Å; D23-A26 WeakPolarHBondContact OD2-CB 3.28Å; P24-A26 VanDerWaalsContact C-N 3.26Å; P24-A26 PolarHBondContact O-N 2.98Å
27Y88.1Confident89Confident58 Ų5866.9 Ų66.923%0.22733%0.333CS..G310 helixtrans-11629.1-172-64.1-74.4000113.2L16 L19 I20 D23 P24 P25 E30 F31 Y70L16-Y27 HydrophobicContact CD1-CD1 4.39Å; L19-Y27 HydrophobicContact CB-CD2 4.07Å; L19-Y27 HydrophobicContact CB-CE1 4.25Å; L19-Y27 HydrophobicContact CB-CE2 3.64Å; L19-Y27 HydrophobicContact CD1-CE1 4.2Å; I20-Y27 HydrophobicContact CG1-CG 4.32Å; D23-Y27 VanDerWaalsContact O-CD2 3.32Å; D23-Y27 WeakPolarHBondContact O-CD2 3.32Å; P24-Y27 PolarHBondContact O-N 3.32Å; P25-Y27 VanDerWaalsContact C-N 3.34Å; P25-Y27 PolarHBondContact O-N 3.17Å; Y27-E30 WeakPolarHBondContact CA-OE2 3.48Å; Y27-F31 WeakPolarHBondContact O-CB 3.49Å; Y27-F31 PolarHBondContact O-N 3.37Å; Y27-F31 VanDerWaalsContact O-N 3.16Å; Y27-Y70 PolarHBondContact O-OH 2.91Å
28I88.4Confident89.1Confident56 Ų5665.5 Ų65.529%0.28733%0.326SS..Hα-helixtrans-67.9-40.8179.9-68.3172.3000111F31 L32 Y70I28-F31 WeakPolarHBondContact O-CB 3.47Å; I28-F31 PolarHBondContact O-N 3.1Å; I28-L32 HydrophobicContact CG2-CD1 3.94Å; I28-L32 HydrophobicContact CG2-CG 4.25Å; I28-L32 WeakPolarHBondContact O-CG 3.27Å; I28-L32 PolarHBondContact O-N 3.49Å; I28-Y70 HydrophobicContact CG1-CE1 3.75Å
29E87.6Confident89.2Confident161 Ų16165.4 Ų65.475%0.75232%0.322SS*.Hα-helixtrans-65.7-44.9-177.2-65.4-173.6176.100111.7F31 L32 Q33E29-F31 VanDerWaalsContact C-N 3.3Å; E29-F31 PolarHBondContact O-N 3.2Å; E29-L32 PolarHBondContact O-N 2.96Å; E29-Q33 PolarHBondContact O-N 3.33Å
30E88.3Confident89.4Confident57 Ų5766.5 Ų66.527%0.26633%0.333SS..Hα-helixtrans-65.5-35.9175.7-63.486.5165.300111.5L16 Y27 Q34L16-E30 HydrophobicContact CD1-CB 3.91Å; L16-E30 HydrophobicContact CD2-CB 4.27Å; Y27-E30 WeakPolarHBondContact CA-OE2 3.48Å; E30-Q34 WeakPolarHBondContact O-CG 3.31Å; E30-Q34 PolarHBondContact O-N 3.22Å
31F89.5Confident89.4Confident0 Ų067.2 Ų67.20%034%0.337CS..Hα-helixtrans-63-48.1172.2165-102.4000111.7I20 Y27 I28 E29 Q33 Q34 Y35 M63 I66 Y70 Y73 L74I20-F31 HydrophobicContact CD1-CB 4.37Å; Y27-F31 WeakPolarHBondContact O-CB 3.49Å; Y27-F31 PolarHBondContact O-N 3.37Å; Y27-F31 VanDerWaalsContact O-N 3.16Å; I28-F31 WeakPolarHBondContact O-CB 3.47Å; I28-F31 PolarHBondContact O-N 3.1Å; E29-F31 VanDerWaalsContact C-N 3.3Å; E29-F31 PolarHBondContact O-N 3.2Å; F31-Q33 VanDerWaalsContact C-N 3.28Å; F31-Q33 PolarHBondContact O-N 3.43Å; F31-Q34 PolarHBondContact O-N 2.91Å; F31-Q34 VanDerWaalsContact O-N 3.13Å; F31-Y35 HydrophobicContact CZ-CD2 4.42Å; F31-Y35 HydrophobicContact CZ-CG 4.36Å; F31-Y35 WeakPolarHBondContact O-CB 3.21Å; F31-Y35 PolarHBondContact O-N 3.44Å; F31-M63 HydrophobicContact CD2-SD 4.39Å; F31-M63 HydrophobicContact CE2-CE 4.47Å; F31-M63 HydrophobicContact CE2-SD 3.67Å; F31-M63 HydrophobicContact CZ-SD 4.5Å; F31-I66 HydrophobicContact CD2-CG2 4.33Å; F31-I66 HydrophobicContact CE2-CG2 4.45Å; F31-Y70 HydrophobicContact CB-CD2 4.33Å; F31-Y70 HydrophobicContact CB-CE2 3.67Å; F31-Y70 AromaticContact CD1-CD2 3.73Å; F31-Y70 HydrophobicContact CD1-CD2 3.73Å; F31-Y70 AromaticContact CD1-CE2 3.88Å; F31-Y70 HydrophobicContact CD1-CE2 3.88Å; F31-Y70 HydrophobicContact CD1-CG 4.25Å; F31-Y70 AromaticContact CD2-CD2 3.67Å; F31-Y70 HydrophobicContact CD2-CD2 3.67Å; F31-Y70 AromaticContact CD2-CE2 3.75Å; F31-Y70 HydrophobicContact CD2-CE2 3.75Å; F31-Y70 AromaticContact CE1-CD2 3.93Å; F31-Y70 HydrophobicContact CE1-CD2 3.93Å; F31-Y70 HydrophobicContact CE1-CG 4.23Å; F31-Y70 AromaticContact CE2-CD2 3.87Å; F31-Y70 HydrophobicContact CE2-CD2 3.87Å; F31-Y70 HydrophobicContact CE2-CE2 4.41Å; F31-Y70 AromaticContact CG-CD2 3.6Å; F31-Y70 HydrophobicContact CG-CD2 3.6Å; F31-Y70 AromaticContact CG-CE2 3.45Å; F31-Y70 HydrophobicContact CG-CE2 3.45Å; F31-Y70 VanDerWaalsContact CG-CE2 3.45Å; F31-Y70 HydrophobicContact CZ-CD2 4Å; F31-Y73 HydrophobicContact CE1-CD2 4.24Å; F31-Y73 HydrophobicContact CE1-CG 4.14Å; F31-L74 HydrophobicContact CE2-CD1 3.85Å; F31-L74 HydrophobicContact CE2-CD2 4.36Å; F31-L74 HydrophobicContact CE2-CG 4.29Å; F31-L74 HydrophobicContact CZ-CD1 3.82Å; F31-L74 HydrophobicContact CZ-CD2 3.98Å; F31-L74 HydrophobicContact CZ-CG 3.8Å
32L90.1Very high89.4Confident53 Ų5362.7 Ų62.728%0.27732%0.318SS..Hα-helixtrans-61.7-37.2179.1-73.7173.7000111.7I28 E29 Q34 Y35 N36 Y73I28-L32 HydrophobicContact CG2-CD1 3.94Å; I28-L32 HydrophobicContact CG2-CG 4.25Å; I28-L32 WeakPolarHBondContact O-CG 3.27Å; I28-L32 PolarHBondContact O-N 3.49Å; E29-L32 PolarHBondContact O-N 2.96Å; L32-Q34 PolarHBondContact O-N 2.91Å; L32-Y35 PolarHBondContact O-N 3.36Å; L32-N36 WeakPolarHBondContact O-CB 3.34Å; L32-N36 VanDerWaalsContact O-CG 3.3Å; L32-N36 PolarHBondContact O-N 2.96Å; L32-N36 PolarHBondContact O-ND2 2.9Å; L32-Y73 HydrophobicContact CD2-CD1 4.15Å; L32-Y73 HydrophobicContact CD2-CE1 4.11Å
33Q90Very high89.4Confident107 Ų10759.8 Ų59.850%0.531%0.312SS..Hα-helixtrans-58.6-47.4173.3-170.8-178.418.200111.6E29 F31 H37E29-Q33 PolarHBondContact O-N 3.33Å; F31-Q33 VanDerWaalsContact C-N 3.28Å; F31-Q33 PolarHBondContact O-N 3.43Å; Q33-H37 PolarHBondContact O-N 3.07Å; Q33-H37 VanDerWaalsContact O-N 3.08Å
34Q89.3Confident89.3Confident16 Ų1661.4 Ų61.48%0.07532%0.32CS..Hα-helixtrans-69.3-33.5177.1-64.2-55.4-38.600112.6P10 L13 L16 E30 F31 L32 H37 Y38 F62 M63P10-Q34 PolarHBondContact O-NE2 3.45Å; L13-Q34 HydrophobicContact CD2-CG 4.13Å; L16-Q34 HydrophobicContact CD2-CG 4.1Å; E30-Q34 WeakPolarHBondContact O-CG 3.31Å; E30-Q34 PolarHBondContact O-N 3.22Å; F31-Q34 PolarHBondContact O-N 2.91Å; F31-Q34 VanDerWaalsContact O-N 3.13Å; L32-Q34 PolarHBondContact O-N 2.91Å; Q34-H37 PolarHBondContact O-N 3.25Å; Q34-Y38 WeakPolarHBondContact O-CB 3.46Å; Q34-Y38 PolarHBondContact O-N 3.4Å; Q34-F62 HydrophobicContact CB-CE1 3.97Å; Q34-F62 HydrophobicContact CG-CE1 4.2Å; Q34-M63 VanDerWaalsContact C-CE 3.4Å; Q34-M63 HydrophobicContact CB-CE 3.82Å; Q34-M63 WeakPolarHBondContact O-CE 3.36Å
35Y90.6Very high89.2Confident17 Ų1760 Ų607%0.06731%0.31CS..Hα-helixtrans-68.7-40.2178.3-176.8-114.8000112F31 L32 Y38 K39 M63 Y73 L74F31-Y35 HydrophobicContact CZ-CD2 4.42Å; F31-Y35 HydrophobicContact CZ-CG 4.36Å; F31-Y35 WeakPolarHBondContact O-CB 3.21Å; F31-Y35 PolarHBondContact O-N 3.44Å; L32-Y35 PolarHBondContact O-N 3.36Å; Y35-Y38 HydrophobicContact CD2-CD1 4.31Å; Y35-Y38 HydrophobicContact CE2-CD1 4.36Å; Y35-Y38 WeakPolarHBondContact O-CB 3.48Å; Y35-Y38 PolarHBondContact O-N 3.01Å; Y35-K39 HydrophobicContact CE1-CD 4.15Å; Y35-K39 PolarHBondContact O-N 2.93Å; Y35-K39 WeakPolarHBondContact OH-CE 3.36Å; Y35-K39 PolarHBondContact OH-NZ 3.28Å; Y35-M63 VanDerWaalsContact CA-CE 3.49Å; Y35-M63 HydrophobicContact CD2-CE 4.45Å; Y35-M63 HydrophobicContact CD2-SD 4.3Å; Y35-Y73 PolarHBondContact OH-O 3.2Å; Y35-L74 HydrophobicContact CD2-CD2 3.88Å; Y35-L74 HydrophobicContact CE2-CD2 3.71Å
36N91.1Very high89.2Confident94 Ų9462 Ų6250%0.50331%0.309SS..Hα-helixtrans-65-42.6172.2-70.3-26000111.3L32 Y38 K39 S40L32-N36 WeakPolarHBondContact O-CB 3.34Å; L32-N36 VanDerWaalsContact O-CG 3.3Å; L32-N36 PolarHBondContact O-N 2.96Å; L32-N36 PolarHBondContact O-ND2 2.9Å; N36-Y38 VanDerWaalsContact C-N 3.32Å; N36-Y38 PolarHBondContact O-N 3.18Å; N36-K39 PolarHBondContact O-N 3.39Å; N36-S40 PolarHBondContact O-N 3.36Å; N36-S40 PolarHBondContact O-OG 3.44Å
37H91.1Very high89Confident81 Ų8166.3 Ų66.338%0.37532%0.324SS..Hα-helixtrans-60.8-41.1174.8-17740.4000112.3Q33 Q34 T41Q33-H37 PolarHBondContact O-N 3.07Å; Q33-H37 VanDerWaalsContact O-N 3.08Å; Q34-H37 PolarHBondContact O-N 3.25Å; H37-T41 WeakPolarHBondContact O-CB 3.3Å; H37-T41 PolarHBondContact O-N 2.94Å; H37-T41 PolarHBondContact O-OG1 2.86Å
38Y91.5Very high88.8Confident0 Ų068.4 Ų68.40%034%0.336CS..Hα-helixtrans-58.1-49.7172.2165.6-104.9000111.9Q34 Y35 N36 S40 T41 V42 L56 L59 V60 F77Q34-Y38 WeakPolarHBondContact O-CB 3.46Å; Q34-Y38 PolarHBondContact O-N 3.4Å; Y35-Y38 HydrophobicContact CD2-CD1 4.31Å; Y35-Y38 HydrophobicContact CE2-CD1 4.36Å; Y35-Y38 WeakPolarHBondContact O-CB 3.48Å; Y35-Y38 PolarHBondContact O-N 3.01Å; N36-Y38 VanDerWaalsContact C-N 3.32Å; N36-Y38 PolarHBondContact O-N 3.18Å; Y38-S40 PolarHBondContact O-N 3.18Å; Y38-T41 PolarHBondContact O-N 3.17Å; Y38-V42 HydrophobicContact CD2-CG2 3.86Å; Y38-V42 HydrophobicContact CE1-CG2 4.11Å; Y38-V42 HydrophobicContact CE2-CG2 3.31Å; Y38-V42 HydrophobicContact CG-CG2 4.44Å; Y38-V42 VanDerWaalsContact CZ-CG2 3.48Å; Y38-V42 WeakPolarHBondContact O-CG2 3.4Å; Y38-V42 PolarHBondContact O-N 3.22Å; Y38-L56 HydrophobicContact CD2-CD1 4.05Å; Y38-L56 HydrophobicContact CE2-CD1 4Å; Y38-L59 HydrophobicContact CD2-CB 4.32Å; Y38-V60 HydrophobicContact CD2-CG2 4.19Å; Y38-V60 HydrophobicContact CE2-CG2 3.54Å; Y38-F77 AromaticContact CE1-CD2 3.78Å; Y38-F77 HydrophobicContact CE1-CD2 3.78Å; Y38-F77 HydrophobicContact CE1-CE2 4Å; Y38-F77 HydrophobicContact CE2-CE2 4.04Å; Y38-F77 AromaticContact CZ-CD2 3.74Å; Y38-F77 AromaticContact CZ-CE2 3.57Å; Y38-F77 WeakPolarHBondContact OH-CE2 3.36Å
39K91.3Very high88.3Confident82 Ų8266.9 Ų66.936%0.35733%0.33SS..Hα-helixtrans-58.3-48.8179.3-77.4-173.3171.9175.50112.6Y35 N36 T41 V42 E43Y35-K39 HydrophobicContact CE1-CD 4.15Å; Y35-K39 PolarHBondContact O-N 2.93Å; Y35-K39 WeakPolarHBondContact OH-CE 3.36Å; Y35-K39 PolarHBondContact OH-NZ 3.28Å; N36-K39 PolarHBondContact O-N 3.39Å; K39-T41 VanDerWaalsContact C-N 3.31Å; K39-T41 PolarHBondContact O-N 2.93Å; K39-V42 PolarHBondContact O-N 3.47Å; K39-E43 PolarHBondContact O-N 3.14Å
40S91.5Very high87.8Confident63 Ų6365 Ų6544%0.44132%0.324SS..Hα-helixtrans-60.3-42.4177.8-570000111.7N36 Y38 V42 E43 I44N36-S40 PolarHBondContact O-N 3.36Å; N36-S40 PolarHBondContact O-OG 3.44Å; Y38-S40 PolarHBondContact O-N 3.18Å; S40-V42 PolarHBondContact O-N 3.03Å; S40-E43 PolarHBondContact O-N 2.95Å; S40-I44 VanDerWaalsContact O-CG1 3.29Å; S40-I44 WeakPolarHBondContact O-CG1 3.35Å; S40-I44 PolarHBondContact O-N 2.86Å
41T88.6Confident87.5Confident14 Ų1468.2 Ų68.29%0.08634%0.338CS..Hα-helixtrans-67-36.1178.1-56.70000112.1H37 Y38 K39 I44 F45 L56H37-T41 WeakPolarHBondContact O-CB 3.3Å; H37-T41 PolarHBondContact O-N 2.94Å; H37-T41 PolarHBondContact O-OG1 2.86Å; Y38-T41 PolarHBondContact O-N 3.17Å; K39-T41 VanDerWaalsContact C-N 3.31Å; K39-T41 PolarHBondContact O-N 2.93Å; T41-I44 PolarHBondContact O-N 2.61Å; T41-F45 VanDerWaalsContact O-CB 3.28Å; T41-F45 WeakPolarHBondContact O-CB 3.19Å; T41-F45 PolarHBondContact O-N 2.77Å; T41-L56 HydrophobicContact CG2-CB 3.87Å; T41-L56 HydrophobicContact CG2-CD1 4.03Å; T41-L56 HydrophobicContact CG2-CG 4.41Å
42V89.2Confident86.9Confident6 Ų672.5 Ų72.54%0.03637%0.366CS..Hα-helixtrans-65.2-42.2173.91670000111.5Y38 K39 S40 F45 K46 L56 L84Y38-V42 HydrophobicContact CD2-CG2 3.86Å; Y38-V42 HydrophobicContact CE1-CG2 4.11Å; Y38-V42 HydrophobicContact CE2-CG2 3.31Å; Y38-V42 HydrophobicContact CG-CG2 4.44Å; Y38-V42 VanDerWaalsContact CZ-CG2 3.48Å; Y38-V42 WeakPolarHBondContact O-CG2 3.4Å; Y38-V42 PolarHBondContact O-N 3.22Å; K39-V42 PolarHBondContact O-N 3.47Å; S40-V42 PolarHBondContact O-N 3.03Å; V42-F45 WeakPolarHBondContact O-CB 3.3Å; V42-F45 PolarHBondContact O-N 2.94Å; V42-K46 HydrophobicContact CG1-CD 4.37Å; V42-K46 WeakPolarHBondContact O-CG 3.22Å; V42-K46 PolarHBondContact O-N 3.36Å; V42-L56 HydrophobicContact CG2-CD1 3.8Å; V42-L84 HydrophobicContact CG1-CD1 3.98Å; V42-L84 HydrophobicContact CG1-CD2 4.26Å; V42-L84 HydrophobicContact CG2-CD1 4.24Å
43E88.5Confident86.6Confident127 Ų12771.3 Ų71.359%0.59336%0.362SS*.Hα-helixtrans-62.7-44.1176.4-72.9177.1-178.900111.6K39 S40 F45 K46 L47K39-E43 PolarHBondContact O-N 3.14Å; S40-E43 PolarHBondContact O-N 2.95Å; E43-F45 VanDerWaalsContact C-N 3.3Å; E43-F45 PolarHBondContact O-N 2.65Å; E43-K46 PolarHBondContact O-N 3.09Å; E43-L47 PolarHBondContact O-N 3.33Å
44I87.5Confident86.4Confident112 Ų11274.5 Ų74.557%0.57437%0.374SS*.Hα-helixtrans-60.1-43.1173.3-65.9165000110.5S40 T41 K46 L47 Q48S40-I44 VanDerWaalsContact O-CG1 3.29Å; S40-I44 WeakPolarHBondContact O-CG1 3.35Å; S40-I44 PolarHBondContact O-N 2.86Å; T41-I44 PolarHBondContact O-N 2.61Å; I44-K46 PolarHBondContact O-N 3.37Å; I44-L47 WeakPolarHBondContact O-CB 3.34Å; I44-L47 PolarHBondContact O-N 3.49Å; I44-Q48 PolarHBondContact O-N 3.39Å
45F86.3Confident86.3Confident9 Ų979.5 Ų79.54%0.03940%0.397CS..Hα-helixtrans-64.8-38.7179.5-177.4-97.5000112.6T41 V42 E43 L47 Q48 P49 L56 L84 L92 L96T41-F45 VanDerWaalsContact O-CB 3.28Å; T41-F45 WeakPolarHBondContact O-CB 3.19Å; T41-F45 PolarHBondContact O-N 2.77Å; V42-F45 WeakPolarHBondContact O-CB 3.3Å; V42-F45 PolarHBondContact O-N 2.94Å; E43-F45 VanDerWaalsContact C-N 3.3Å; E43-F45 PolarHBondContact O-N 2.65Å; F45-L47 PolarHBondContact O-N 3.15Å; F45-Q48 CarbonylContact O-C 3.55Å; F45-Q48 PolarHBondContact O-N 2.9Å; F45-Q48 VanDerWaalsContact O-N 3.07Å; F45-P49 HydrophobicContact CE1-CB 4.17Å; F45-P49 HydrophobicContact CZ-CB 4.06Å; F45-P49 WeakPolarHBondContact CZ-O 3.44Å; F45-P49 WeakPolarHBondContact O-CA 3.46Å; F45-P49 VanDerWaalsContact O-N 3.11Å; F45-L56 HydrophobicContact CB-CD2 3.85Å; F45-L56 HydrophobicContact CD1-CD2 4.15Å; F45-L56 HydrophobicContact CD2-CD2 3.83Å; F45-L56 HydrophobicContact CE2-CD2 4.47Å; F45-L56 HydrophobicContact CG-CD2 3.64Å; F45-L84 HydrophobicContact CD1-CD2 4.31Å; F45-L92 HydrophobicContact CE1-CD1 3.76Å; F45-L92 HydrophobicContact CZ-CD1 3.49Å; F45-L92 VanDerWaalsContact CZ-CD1 3.49Å; F45-L92 HydrophobicContact CZ-CG 3.96Å; F45-L96 HydrophobicContact CE2-CD1 3.94Å
46K85.6Confident86.2Confident132 Ų13278.7 Ų78.757%0.57439%0.394SS*.Hα-helixtrans-59-31.2175.1-76175.5179.21790112.2V42 E43 I44 L84V42-K46 HydrophobicContact CG1-CD 4.37Å; V42-K46 WeakPolarHBondContact O-CG 3.22Å; V42-K46 PolarHBondContact O-N 3.36Å; E43-K46 PolarHBondContact O-N 3.09Å; I44-K46 PolarHBondContact O-N 3.37Å; K46-L84 HydrophobicContact CG-CD2 3.97Å
47L85.4Confident86.1Confident147 Ų14775 Ų7577%0.7738%0.377SS*.Hα-helixtrans-76.5-33.8175.4-61.6172.2000112.7E43 I44 F45E43-L47 PolarHBondContact O-N 3.33Å; I44-L47 WeakPolarHBondContact O-CB 3.34Å; I44-L47 PolarHBondContact O-N 3.49Å; F45-L47 PolarHBondContact O-N 3.15Å
48Q82.5Confident86.1Confident102 Ų10277 Ų7748%0.47739%0.386SS..  trans-136.274.5-177.8-66.4-170.2-12.500112.7I44 F45 N50 K51I44-Q48 PolarHBondContact O-N 3.39Å; F45-Q48 CarbonylContact O-C 3.55Å; F45-Q48 PolarHBondContact O-N 2.9Å; F45-Q48 VanDerWaalsContact O-N 3.07Å; Q48-N50 PolarHBondContact O-N 3.1Å; Q48-K51 PolarHBondContact O-N 3.1Å; Q48-K51 VanDerWaalsContact OE1-CE 3.27Å
49P79.6Confident86Confident25 Ų2577.1 Ų77.116%0.16239%0.387CS..THydrogen-bonded Turntrans-73.9-10.2-172.528.3-36.1000114.9F45 N88 V91F45-P49 HydrophobicContact CE1-CB 4.17Å; F45-P49 HydrophobicContact CZ-CB 4.06Å; F45-P49 WeakPolarHBondContact CZ-O 3.44Å; F45-P49 WeakPolarHBondContact O-CA 3.46Å; F45-P49 VanDerWaalsContact O-N 3.11Å; P49-N88 HydrophobicContact CB-CB 4.36Å; P49-N88 WeakPolarHBondContact CB-ND2 3.34Å; P49-V91 HydrophobicContact CG-CG1 4.5Å
50N77.4Confident86.1Confident120 Ų12073.2 Ų73.264%0.64237%0.37SS*.THydrogen-bonded Turntrans-84.6-14.5-178.5-167.317.8000113.1Q48 V91Q48-N50 PolarHBondContact O-N 3.1Å; N50-V91 HydrophobicContact CB-CG1 3.99Å
51K80.9Confident86.1Confident126 Ų12672.5 Ų72.555%0.54836%0.36SS..SBendtrans-84.7130.7-178.3-75.4-177.5178170.60110.7Q48 S53Q48-K51 PolarHBondContact O-N 3.1Å; Q48-K51 VanDerWaalsContact OE1-CE 3.27Å; K51-S53 PolarHBondContact O-N 3.24Å
52P77.6Confident86.2Confident90 Ų9072 Ų7258%0.58436%0.357SS*.  trans-66.6129.7171.728.2-33000109.3D93P52-D93 HydrophobicContact CB-CB 4.25Å
53S83.3Confident86.3Confident28 Ų2871.8 Ų71.820%0.19636%0.355CS..  trans-123.9103177178.20000109.7K51 E55 L56 A57 L96K51-S53 PolarHBondContact O-N 3.24Å; S53-E55 VanDerWaalsContact C-N 3.33Å; S53-L56 WeakPolarHBondContact OG-CB 3.43Å; S53-L56 PolarHBondContact OG-N 3.47Å; S53-A57 PolarHBondContact O-N 2.67Å; S53-L96 VanDerWaalsContact O-CD2 3.23Å; S53-L96 WeakPolarHBondContact O-CD2 3.35Å
54K85.5Confident86.4Confident173 Ų17365.7 Ų65.775%0.75233%0.327SS*.Hα-helixtrans-66.1-39.4176.8-68.5-177179.61790111.4L56 A57 E58K54-L56 VanDerWaalsContact C-N 3.35Å; K54-L56 PolarHBondContact O-N 3.32Å; K54-A57 WeakPolarHBondContact O-CB 3.37Å; K54-A57 PolarHBondContact O-N 2.72Å; K54-A57 VanDerWaalsContact O-N 3.12Å; K54-E58 PolarHBondContact O-N 3.05Å
55E86.6Confident86.6Confident122 Ų12262.8 Ų62.857%0.5731%0.311SS*.Hα-helixtrans-58.6-45.9178.3-64.7173.1-175.700111.2S53 A57 E58 L59S53-E55 VanDerWaalsContact C-N 3.33Å; E55-A57 VanDerWaalsContact C-N 3.31Å; E55-A57 PolarHBondContact O-N 2.86Å; E55-E58 PolarHBondContact O-N 2.99Å; E55-L59 WeakPolarHBondContact O-CB 3.34Å; E55-L59 VanDerWaalsContact O-CG 3.26Å; E55-L59 WeakPolarHBondContact O-CG 3.31Å; E55-L59 PolarHBondContact O-N 3.3Å
56L88.9Confident86.7Confident0 Ų062.3 Ų62.30%031%0.309CS..Hα-helixtrans-62.6-38.6176.7-176.359000112.1Y38 T41 V42 F45 S53 K54 V60 F100Y38-L56 HydrophobicContact CD2-CD1 4.05Å; Y38-L56 HydrophobicContact CE2-CD1 4Å; T41-L56 HydrophobicContact CG2-CB 3.87Å; T41-L56 HydrophobicContact CG2-CD1 4.03Å; T41-L56 HydrophobicContact CG2-CG 4.41Å; V42-L56 HydrophobicContact CG2-CD1 3.8Å; F45-L56 HydrophobicContact CB-CD2 3.85Å; F45-L56 HydrophobicContact CD1-CD2 4.15Å; F45-L56 HydrophobicContact CD2-CD2 3.83Å; F45-L56 HydrophobicContact CE2-CD2 4.47Å; F45-L56 HydrophobicContact CG-CD2 3.64Å; S53-L56 WeakPolarHBondContact OG-CB 3.43Å; S53-L56 PolarHBondContact OG-N 3.47Å; K54-L56 VanDerWaalsContact C-N 3.35Å; K54-L56 PolarHBondContact O-N 3.32Å; L56-V60 HydrophobicContact CD1-CG2 4.07Å; L56-V60 HydrophobicContact CG-CG2 4.4Å; L56-V60 WeakPolarHBondContact O-CB 3.41Å; L56-V60 VanDerWaalsContact O-CG2 3.26Å; L56-V60 WeakPolarHBondContact O-CG2 3.45Å; L56-V60 PolarHBondContact O-N 3.12Å; L56-F100 HydrophobicContact CD2-CZ 3.89Å; L56-F100 HydrophobicContact CG-CE1 4.31Å; L56-F100 HydrophobicContact CG-CZ 4.09Å
57A89.1Confident86.8Confident16 Ų1656.3 Ų56.313%0.13228%0.283CS..Hα-helixtrans-61.9-45.9176.800000111.9S53 K54 E55 M61 L96 T99S53-A57 PolarHBondContact O-N 2.67Å; K54-A57 WeakPolarHBondContact O-CB 3.37Å; K54-A57 PolarHBondContact O-N 2.72Å; K54-A57 VanDerWaalsContact O-N 3.12Å; E55-A57 VanDerWaalsContact C-N 3.31Å; E55-A57 PolarHBondContact O-N 2.86Å; A57-M61 WeakPolarHBondContact O-CB 3.5Å; A57-M61 PolarHBondContact O-N 3.05Å; A57-M61 VanDerWaalsContact O-N 3.08Å; A57-L96 HydrophobicContact CB-CD2 3.69Å; A57-T99 HydrophobicContact CB-CG2 3.88Å
58E90.8Very high86.8Confident122 Ų12253.8 Ų53.857%0.5727%0.267SS*.Hα-helixtrans-65.1-44.5178.8-69.3179-171.600111.5L13 K54 E55 M61 F62L13-E58 HydrophobicContact CD1-CB 3.9Å; K54-E58 PolarHBondContact O-N 3.05Å; E55-E58 PolarHBondContact O-N 2.99Å; E58-M61 PolarHBondContact O-N 2.88Å; E58-F62 WeakPolarHBondContact O-CB 3.17Å; E58-F62 PolarHBondContact O-N 3.32Å
59L90.7Very high87Confident4 Ų450.2 Ų50.22%0.02125%0.253CS..Hα-helixtrans-62.7-46.4176.9-69.1169.9000111.9L13 Y38 E55 M61 F62 M63L13-L59 HydrophobicContact CD1-CD2 4.24Å; L13-L59 HydrophobicContact CD2-CD2 4.47Å; Y38-L59 HydrophobicContact CD2-CB 4.32Å; E55-L59 WeakPolarHBondContact O-CB 3.34Å; E55-L59 VanDerWaalsContact O-CG 3.26Å; E55-L59 WeakPolarHBondContact O-CG 3.31Å; E55-L59 PolarHBondContact O-N 3.3Å; L59-M61 VanDerWaalsContact C-N 3.31Å; L59-M61 PolarHBondContact O-N 3.24Å; L59-F62 WeakPolarHBondContact O-CB 3.45Å; L59-F62 PolarHBondContact O-N 2.87Å; L59-M63 VanDerWaalsContact O-CG 3.26Å; L59-M63 WeakPolarHBondContact O-CG 3.27Å; L59-M63 PolarHBondContact O-N 2.91Å
60V91.9Very high87.3Confident0 Ų049.6 Ų49.60%025%0.248CC..Hα-helixtrans-61.4-411781680000111.3Y38 L56 A64 F77 V81 F100 A103Y38-V60 HydrophobicContact CD2-CG2 4.19Å; Y38-V60 HydrophobicContact CE2-CG2 3.54Å; L56-V60 HydrophobicContact CD1-CG2 4.07Å; L56-V60 HydrophobicContact CG-CG2 4.4Å; L56-V60 WeakPolarHBondContact O-CB 3.41Å; L56-V60 VanDerWaalsContact O-CG2 3.26Å; L56-V60 WeakPolarHBondContact O-CG2 3.45Å; L56-V60 PolarHBondContact O-N 3.12Å; V60-A64 WeakPolarHBondContact O-CB 3.49Å; V60-A64 PolarHBondContact O-N 3.36Å; V60-F77 HydrophobicContact CG1-CZ 4.17Å; V60-V81 HydrophobicContact CG1-CG2 4.35Å; V60-F100 HydrophobicContact CB-CD1 4.17Å; V60-F100 HydrophobicContact CB-CE1 4.05Å; V60-F100 HydrophobicContact CG1-CD1 3.75Å; V60-F100 HydrophobicContact CG1-CE1 4.12Å; V60-F100 HydrophobicContact CG2-CD1 4.17Å; V60-F100 HydrophobicContact CG2-CE1 3.67Å; V60-F100 HydrophobicContact CG2-CZ 4.46Å; V60-A103 HydrophobicContact CG1-CB 3.68Å
61M91.6Very high87.6Confident47 Ų4748 Ų4823%0.23224%0.244CC..Hα-helixtrans-66.6-42177.1-170.657.858.400111.9A57 E58 L59 A64 Q65 T99 K102 A103A57-M61 WeakPolarHBondContact O-CB 3.5Å; A57-M61 PolarHBondContact O-N 3.05Å; A57-M61 VanDerWaalsContact O-N 3.08Å; E58-M61 PolarHBondContact O-N 2.88Å; L59-M61 VanDerWaalsContact C-N 3.31Å; L59-M61 PolarHBondContact O-N 3.24Å; M61-A64 PolarHBondContact O-N 2.99Å; M61-Q65 WeakPolarHBondContact O-CB 3.48Å; M61-Q65 VanDerWaalsContact O-CG 3.25Å; M61-Q65 WeakPolarHBondContact O-CG 3.45Å; M61-Q65 PolarHBondContact O-N 2.73Å; M61-T99 HydrophobicContact CE-CG2 3.89Å; M61-K102 HydrophobicContact CE-CB 3.94Å; M61-A103 HydrophobicContact CE-CB 4.43Å
62F91.8Very high87.8Confident5 Ų549.6 Ų49.62%0.02225%0.253CS..Hα-helixtrans-59.4-50175.2173.9-98000111.4L13 L16 Q17 I20 Q34 E58 L59 A64 Q65 I66L13-F62 HydrophobicContact CB-CD2 3.86Å; L13-F62 HydrophobicContact CB-CE2 4.38Å; L13-F62 HydrophobicContact CB-CG 4.39Å; L13-F62 HydrophobicContact CD1-CB 4.4Å; L13-F62 HydrophobicContact CD2-CD1 4.36Å; L13-F62 HydrophobicContact CD2-CD2 4.07Å; L13-F62 HydrophobicContact CD2-CE2 4.2Å; L13-F62 HydrophobicContact CD2-CG 4.13Å; L13-F62 HydrophobicContact CD2-CZ 4.42Å; L13-F62 HydrophobicContact CG-CD2 4.49Å; L13-F62 WeakPolarHBondContact O-CE2 3.42Å; L16-F62 HydrophobicContact CB-CE2 4.19Å; L16-F62 HydrophobicContact CD2-CE2 4.12Å; L16-F62 HydrophobicContact CD2-CZ 3.67Å; L16-F62 HydrophobicContact CG-CE2 4.08Å; L16-F62 HydrophobicContact CG-CZ 3.93Å; Q17-F62 HydrophobicContact CB-CD2 4.13Å; Q17-F62 HydrophobicContact CB-CE2 4.06Å; I20-F62 HydrophobicContact CD1-CE2 4.43Å; I20-F62 HydrophobicContact CD1-CZ 3.84Å; Q34-F62 HydrophobicContact CB-CE1 3.97Å; Q34-F62 HydrophobicContact CG-CE1 4.2Å; E58-F62 WeakPolarHBondContact O-CB 3.17Å; E58-F62 PolarHBondContact O-N 3.32Å; L59-F62 WeakPolarHBondContact O-CB 3.45Å; L59-F62 PolarHBondContact O-N 2.87Å; F62-A64 PolarHBondContact O-N 3.17Å; F62-Q65 PolarHBondContact O-N 3.46Å; F62-Q65 VanDerWaalsContact O-N 3.16Å; F62-I66 HydrophobicContact CD1-CD1 3.87Å; F62-I66 HydrophobicContact CD2-CD1 3.57Å; F62-I66 HydrophobicContact CE1-CD1 3.48Å; F62-I66 VanDerWaalsContact CE1-CD1 3.48Å; F62-I66 HydrophobicContact CE2-CD1 3.16Å; F62-I66 HydrophobicContact CG-CD1 3.92Å; F62-I66 HydrophobicContact CZ-CD1 3.11Å; F62-I66 PolarHBondContact O-N 3.36Å; F62-I66 VanDerWaalsContact O-N 3.08Å
63M91.2Very high88.1Confident0 Ų049.9 Ų49.90%024%0.243CC..Hα-helixtrans-60.6-43.2177.3-65.3-56.3164.900111.9F31 Q34 Y35 L59 Q65 I66 S67 L74 F77F31-M63 HydrophobicContact CD2-SD 4.39Å; F31-M63 HydrophobicContact CE2-CE 4.47Å; F31-M63 HydrophobicContact CE2-SD 3.67Å; F31-M63 HydrophobicContact CZ-SD 4.5Å; Q34-M63 VanDerWaalsContact C-CE 3.4Å; Q34-M63 HydrophobicContact CB-CE 3.82Å; Q34-M63 WeakPolarHBondContact O-CE 3.36Å; Y35-M63 VanDerWaalsContact CA-CE 3.49Å; Y35-M63 HydrophobicContact CD2-CE 4.45Å; Y35-M63 HydrophobicContact CD2-SD 4.3Å; L59-M63 VanDerWaalsContact O-CG 3.26Å; L59-M63 WeakPolarHBondContact O-CG 3.27Å; L59-M63 PolarHBondContact O-N 2.91Å; M63-Q65 VanDerWaalsContact C-N 3.28Å; M63-Q65 PolarHBondContact O-N 3.4Å; M63-I66 PolarHBondContact O-N 2.87Å; M63-S67 PolarHBondContact O-N 3.3Å; M63-L74 HydrophobicContact SD-CD2 4.24Å; M63-F77 HydrophobicContact CB-CD1 4.46Å; M63-F77 HydrophobicContact CB-CD2 4.24Å; M63-F77 HydrophobicContact CB-CE1 3.9Å; M63-F77 HydrophobicContact CB-CE2 3.64Å; M63-F77 HydrophobicContact CB-CZ 3.46Å; M63-F77 VanDerWaalsContact CB-CZ 3.46Å; M63-F77 HydrophobicContact CG-CE2 4.24Å; M63-F77 HydrophobicContact CG-CZ 4.49Å
64A90.8Very high88.3Confident0 Ų048.9 Ų48.90%024%0.236CC..Hα-helixtrans-62.4-35.617700000112.8V60 M61 F62 S67 F77 A103 L106 L107 K110V60-A64 WeakPolarHBondContact O-CB 3.49Å; V60-A64 PolarHBondContact O-N 3.36Å; M61-A64 PolarHBondContact O-N 2.99Å; F62-A64 PolarHBondContact O-N 3.17Å; A64-S67 PolarHBondContact O-OG 2.99Å; A64-F77 HydrophobicContact CB-CE1 4.2Å; A64-A103 HydrophobicContact CB-CB 3.78Å; A64-L106 HydrophobicContact CB-CD2 4.21Å; A64-L107 HydrophobicContact CB-CD2 4.36Å; A64-L107 HydrophobicContact CB-CG 4.16Å; A64-K110 PolarHBondContact O-NZ 3.47Å; A64-K110 VanDerWaalsContact O-NZ 3.15Å
65Q90.3Very high88.2Confident50 Ų5044.3 Ų44.323%0.23423%0.225CC..Hα-helixtrans-74.2-27.8178.2-73.6170.7-6.800113.5Q17 M61 F62 M63 H68 L106 K110Q17-Q65 HydrophobicContact CG-CB 4.34Å; M61-Q65 WeakPolarHBondContact O-CB 3.48Å; M61-Q65 VanDerWaalsContact O-CG 3.25Å; M61-Q65 WeakPolarHBondContact O-CG 3.45Å; M61-Q65 PolarHBondContact O-N 2.73Å; F62-Q65 PolarHBondContact O-N 3.46Å; F62-Q65 VanDerWaalsContact O-N 3.16Å; M63-Q65 VanDerWaalsContact C-N 3.28Å; M63-Q65 PolarHBondContact O-N 3.4Å; Q65-H68 PolarHBondContact O-CE1 3.5Å; Q65-H68 PolarHBondContact O-ND1 3.3Å; Q65-L106 HydrophobicContact CB-CD2 4.29Å; Q65-L106 HydrophobicContact CG-CD2 3.47Å; Q65-L106 VanDerWaalsContact CG-CD2 3.47Å; Q65-K110 VanDerWaalsContact C-NZ 3.28Å; Q65-K110 PolarHBondContact O-NZ 3.1Å
66I90Very high88.2Confident0 Ų043.5 Ų43.50%023%0.225CC..Hα-helixtrans-97.2-21.5-177.8-69.3161.1000112.7Q17 I20 F31 F62 M63 H68 C69 Y70Q17-I66 HydrophobicContact CB-CD1 4.44Å; Q17-I66 HydrophobicContact CG-CD1 4.37Å; Q17-I66 HydrophobicContact CG-CG1 4.22Å; I20-I66 HydrophobicContact CD1-CD1 3.68Å; I20-I66 HydrophobicContact CG2-CD1 4.39Å; I20-I66 HydrophobicContact CG2-CG1 4.17Å; I20-I66 HydrophobicContact CG2-CG2 3.7Å; F31-I66 HydrophobicContact CD2-CG2 4.33Å; F31-I66 HydrophobicContact CE2-CG2 4.45Å; F62-I66 HydrophobicContact CD1-CD1 3.87Å; F62-I66 HydrophobicContact CD2-CD1 3.57Å; F62-I66 HydrophobicContact CE1-CD1 3.48Å; F62-I66 VanDerWaalsContact CE1-CD1 3.48Å; F62-I66 HydrophobicContact CE2-CD1 3.16Å; F62-I66 HydrophobicContact CG-CD1 3.92Å; F62-I66 HydrophobicContact CZ-CD1 3.11Å; F62-I66 PolarHBondContact O-N 3.36Å; F62-I66 VanDerWaalsContact O-N 3.08Å; M63-I66 PolarHBondContact O-N 2.87Å; I66-H68 VanDerWaalsContact C-N 3.27Å; I66-H68 PolarHBondContact O-N 2.93Å; I66-H68 PolarHBondContact O-ND1 3.47Å; I66-C69 HydrophobicContact CG2-CB 4.17Å; I66-C69 WeakPolarHBondContact O-CB 3.27Å; I66-C69 PolarHBondContact O-N 2.93Å; I66-Y70 HydrophobicContact CG2-CD2 3.42Å; I66-Y70 VanDerWaalsContact CG2-CD2 3.42Å; I66-Y70 HydrophobicContact CG2-CE2 3.67Å
67S86.4Confident88.2Confident5 Ų543.5 Ų43.54%0.03523%0.225CC..G310 helixtrans-24.6-52.5175.855.50000117.7M63 A64 C69 Y70 L107 K110 L112M63-S67 PolarHBondContact O-N 3.3Å; A64-S67 PolarHBondContact O-OG 2.99Å; S67-C69 VanDerWaalsContact C-N 3.34Å; S67-C69 PolarHBondContact O-N 3.34Å; S67-Y70 CarbonylContact O-C 3.47Å; S67-Y70 PolarHBondContact O-N 3.38Å; S67-L107 VanDerWaalsContact CB-CD2 3.4Å; S67-L107 VanDerWaalsContact OG-CD2 3.24Å; S67-L107 WeakPolarHBondContact OG-CD2 3.49Å; S67-K110 PolarHBondContact OG-NZ 2.96Å; S67-L112 WeakPolarHBondContact OG-CD1 3.08Å
68H85.5Confident88.2Confident94 Ų9443.8 Ų43.844%0.43523%0.225SC..G310 helixtrans-64.2-25177.966.5-40000116.4Q65 I66 K110Q65-H68 PolarHBondContact O-CE1 3.5Å; Q65-H68 PolarHBondContact O-ND1 3.3Å; I66-H68 VanDerWaalsContact C-N 3.27Å; I66-H68 PolarHBondContact O-N 2.93Å; I66-H68 PolarHBondContact O-ND1 3.47Å; H68-K110 HydrophobicContact CB-CD 4.44Å; H68-K110 PolarHBondContact ND1-NZ 3.41Å
69C86.3Confident88.1Confident27 Ų2742.5 Ų42.518%0.18222%0.22CC..G310 helixtrans-79.4-29.9179.9-60.80000111.9I20 P24 I66 S67I20-C69 HydrophobicContact CG2-CB 4.3Å; P24-C69 HydrophobicContact CB-CB 4.25Å; P24-C69 HydrophobicContact CG-CB 4.2Å; I66-C69 HydrophobicContact CG2-CB 4.17Å; I66-C69 WeakPolarHBondContact O-CB 3.27Å; I66-C69 PolarHBondContact O-N 2.93Å; S67-C69 VanDerWaalsContact C-N 3.34Å; S67-C69 PolarHBondContact O-N 3.34Å
70Y87.6Confident88Confident13 Ų1344.9 Ų44.95%0.05123%0.23CC..  trans-13068.6-176.4-57.5-56.1000111.4I20 P24 Y27 I28 F31 I66 S67 E72 L74I20-Y70 HydrophobicContact CG2-CE2 3.6Å; P24-Y70 HydrophobicContact CB-CE1 4.01Å; P24-Y70 WeakPolarHBondContact O-CE1 3.45Å; P24-Y70 PolarHBondContact O-OH 3.46Å; Y27-Y70 PolarHBondContact O-OH 2.91Å; I28-Y70 HydrophobicContact CG1-CE1 3.75Å; F31-Y70 HydrophobicContact CB-CD2 4.33Å; F31-Y70 HydrophobicContact CB-CE2 3.67Å; F31-Y70 AromaticContact CD1-CD2 3.73Å; F31-Y70 HydrophobicContact CD1-CD2 3.73Å; F31-Y70 AromaticContact CD1-CE2 3.88Å; F31-Y70 HydrophobicContact CD1-CE2 3.88Å; F31-Y70 HydrophobicContact CD1-CG 4.25Å; F31-Y70 AromaticContact CD2-CD2 3.67Å; F31-Y70 HydrophobicContact CD2-CD2 3.67Å; F31-Y70 AromaticContact CD2-CE2 3.75Å; F31-Y70 HydrophobicContact CD2-CE2 3.75Å; F31-Y70 AromaticContact CE1-CD2 3.93Å; F31-Y70 HydrophobicContact CE1-CD2 3.93Å; F31-Y70 HydrophobicContact CE1-CG 4.23Å; F31-Y70 AromaticContact CE2-CD2 3.87Å; F31-Y70 HydrophobicContact CE2-CD2 3.87Å; F31-Y70 HydrophobicContact CE2-CE2 4.41Å; F31-Y70 AromaticContact CG-CD2 3.6Å; F31-Y70 HydrophobicContact CG-CD2 3.6Å; F31-Y70 AromaticContact CG-CE2 3.45Å; F31-Y70 HydrophobicContact CG-CE2 3.45Å; F31-Y70 VanDerWaalsContact CG-CE2 3.45Å; F31-Y70 HydrophobicContact CZ-CD2 4Å; I66-Y70 HydrophobicContact CG2-CD2 3.42Å; I66-Y70 VanDerWaalsContact CG2-CD2 3.42Å; I66-Y70 HydrophobicContact CG2-CE2 3.67Å; S67-Y70 CarbonylContact O-C 3.47Å; S67-Y70 PolarHBondContact O-N 3.38Å; Y70-E72 VanDerWaalsContact C-N 3.3Å; Y70-E72 PolarHBondContact O-N 3.2Å; Y70-L74 PolarHBondContact O-N 3.28Å
71P83.4Confident87.8Confident85 Ų8545 Ų4555%0.55223%0.231SC*.THydrogen-bonded Turntrans-65-31.1-175.925.9-34.1000113.3S75P71-S75 PolarHBondContact O-N 3.5Å
72E85.1Confident87.6Confident160 Ų16044.8 Ų44.875%0.74823%0.229SC*.THydrogen-bonded Turntrans-63.9-47.5-178.5-63.2-177171.900112Y70 S75Y70-E72 VanDerWaalsContact C-N 3.3Å; Y70-E72 PolarHBondContact O-N 3.2Å; E72-S75 PolarHBondContact O-OG 3.34Å
73Y84.1Confident87.4Confident97 Ų9747.9 Ų47.938%0.3825%0.246SC..THydrogen-bonded Turntrans-79.9-29.5-176.9-60.8-77.5000113.5F31 L32 Y35F31-Y73 HydrophobicContact CE1-CD2 4.24Å; F31-Y73 HydrophobicContact CE1-CG 4.14Å; L32-Y73 HydrophobicContact CD2-CD1 4.15Å; L32-Y73 HydrophobicContact CD2-CE1 4.11Å; Y35-Y73 PolarHBondContact OH-O 3.2Å
74L85.7Confident87.1Confident7 Ų748.2 Ų48.24%0.03725%0.247CC..SBendtrans-104.915.2-172.1-65.9173.3000114F31 Y35 M63 Y70 N76 F77 P78F31-L74 HydrophobicContact CE2-CD1 3.85Å; F31-L74 HydrophobicContact CE2-CD2 4.36Å; F31-L74 HydrophobicContact CE2-CG 4.29Å; F31-L74 HydrophobicContact CZ-CD1 3.82Å; F31-L74 HydrophobicContact CZ-CD2 3.98Å; F31-L74 HydrophobicContact CZ-CG 3.8Å; Y35-L74 HydrophobicContact CD2-CD2 3.88Å; Y35-L74 HydrophobicContact CE2-CD2 3.71Å; M63-L74 HydrophobicContact SD-CD2 4.24Å; Y70-L74 PolarHBondContact O-N 3.28Å; L74-N76 VanDerWaalsContact C-N 3.34Å; L74-N76 PolarHBondContact O-N 2.97Å; L74-F77 HydrophobicContact CB-CB 4.32Å; L74-F77 HydrophobicContact CD2-CB 3.97Å; L74-F77 HydrophobicContact CD2-CG 4.26Å; L74-F77 PolarHBondContact O-N 2.71Å; L74-P78 VanDerWaalsContact O-CD 3.3Å; L74-P78 WeakPolarHBondContact O-CD 3.35Å
75S84.2Confident86.9Confident76 Ų7648.2 Ų48.253%0.53125%0.247SC..SBendtrans-59.5-40.2176.953.20000113.2P71 E72 P78P71-S75 PolarHBondContact O-N 3.5Å; E72-S75 PolarHBondContact O-OG 3.34Å; S75-P78 WeakPolarHBondContact O-CD 3.43Å
76N87.4Confident86.6Confident106 Ų10647.9 Ų47.957%0.56725%0.251SS*.SBendtrans-85.4-17.9-179.5-70.3-15.7000114.2L74 Q79 E80L74-N76 VanDerWaalsContact C-N 3.34Å; L74-N76 PolarHBondContact O-N 2.97Å; N76-Q79 PolarHBondContact O-N 3.11Å; N76-E80 PolarHBondContact O-N 3.28Å
77F89.1Confident86.1Confident0 Ų052.5 Ų52.50%028%0.282CS..Hα-helixtrans-55.9-43.9-175.3169.5-104.4000114.1Y38 V60 M63 A64 L74 Q79 E80 V81 L107Y38-F77 AromaticContact CE1-CD2 3.78Å; Y38-F77 HydrophobicContact CE1-CD2 3.78Å; Y38-F77 HydrophobicContact CE1-CE2 4Å; Y38-F77 HydrophobicContact CE2-CE2 4.04Å; Y38-F77 AromaticContact CZ-CD2 3.74Å; Y38-F77 AromaticContact CZ-CE2 3.57Å; Y38-F77 WeakPolarHBondContact OH-CE2 3.36Å; V60-F77 HydrophobicContact CG1-CZ 4.17Å; M63-F77 HydrophobicContact CB-CD1 4.46Å; M63-F77 HydrophobicContact CB-CD2 4.24Å; M63-F77 HydrophobicContact CB-CE1 3.9Å; M63-F77 HydrophobicContact CB-CE2 3.64Å; M63-F77 HydrophobicContact CB-CZ 3.46Å; M63-F77 VanDerWaalsContact CB-CZ 3.46Å; M63-F77 HydrophobicContact CG-CE2 4.24Å; M63-F77 HydrophobicContact CG-CZ 4.49Å; A64-F77 HydrophobicContact CB-CE1 4.2Å; L74-F77 HydrophobicContact CB-CB 4.32Å; L74-F77 HydrophobicContact CD2-CB 3.97Å; L74-F77 HydrophobicContact CD2-CG 4.26Å; L74-F77 PolarHBondContact O-N 2.71Å; F77-Q79 VanDerWaalsContact C-N 3.28Å; F77-Q79 PolarHBondContact O-N 3.39Å; F77-E80 PolarHBondContact O-N 2.89Å; F77-V81 HydrophobicContact CD2-CG2 4.11Å; F77-V81 HydrophobicContact CE1-CG2 4.3Å; F77-V81 HydrophobicContact CE2-CG2 3.64Å; F77-V81 HydrophobicContact CZ-CG2 3.75Å; F77-V81 WeakPolarHBondContact O-CG2 3.46Å; F77-V81 PolarHBondContact O-N 3.06Å; F77-L107 HydrophobicContact CD1-CD1 4.11Å; F77-L107 HydrophobicContact CE1-CD1 3.89Å
78P88Confident85.6Confident21 Ų2153.8 Ų53.814%0.13629%0.288CS..Hα-helixtrans-59.1-37.9176.2-23.733.2000113.6L74 S75 K82 L107 I113L74-P78 VanDerWaalsContact O-CD 3.3Å; L74-P78 WeakPolarHBondContact O-CD 3.35Å; S75-P78 WeakPolarHBondContact O-CD 3.43Å; P78-K82 WeakPolarHBondContact O-CB 3.3Å; P78-K82 PolarHBondContact O-N 3.14Å; P78-L107 HydrophobicContact CB-CD1 4.23Å; P78-L107 HydrophobicContact CG-CD1 4.14Å; P78-I113 HydrophobicContact CB-CD1 3.82Å; P78-I113 HydrophobicContact CB-CG1 3.83Å; P78-I113 HydrophobicContact CG-CG1 4.32Å
79Q88.6Confident85Confident96 Ų9651 Ų5145%0.44928%0.276SS..Hα-helixtrans-71.4-41.7178.9-173.562.135.300110.8N76 F77 V81 K82 D83N76-Q79 PolarHBondContact O-N 3.11Å; F77-Q79 VanDerWaalsContact C-N 3.28Å; F77-Q79 PolarHBondContact O-N 3.39Å; Q79-V81 PolarHBondContact O-N 3.08Å; Q79-K82 WeakPolarHBondContact O-CA 3.4Å; Q79-K82 VanDerWaalsContact O-CB 3.3Å; Q79-K82 WeakPolarHBondContact O-CB 3.32Å; Q79-K82 PolarHBondContact O-N 3.19Å; Q79-K82 VanDerWaalsContact O-N 3.1Å; Q79-D83 PolarHBondContact NE2-OD1 3.23Å; Q79-D83 VanDerWaalsContact O-CG 3.23Å; Q79-D83 PolarHBondContact O-N 3.49Å
80E88Confident84.6Confident53 Ų5354.8 Ų54.825%0.24830%0.298CS..Hα-helixtrans-58.2-45.7175.4-69.7173-160.300111.9N76 F77 K82 D83 L84N76-E80 PolarHBondContact O-N 3.28Å; F77-E80 PolarHBondContact O-N 2.89Å; E80-K82 VanDerWaalsContact C-N 3.31Å; E80-K82 PolarHBondContact O-N 3.26Å; E80-D83 PolarHBondContact O-N 3.4Å; E80-L84 WeakPolarHBondContact O-CB 3.42Å; E80-L84 VanDerWaalsContact O-CG 3.23Å; E80-L84 WeakPolarHBondContact O-CG 3.31Å; E80-L84 PolarHBondContact O-N 2.85Å
81V88.5Confident84.3Confident2 Ų257.3 Ų57.31%0.01231%0.314CS..Hα-helixtrans-66-35.7176.5178.20000111.3V60 F77 Q79 L85 F100 L104V60-V81 HydrophobicContact CG1-CG2 4.35Å; F77-V81 HydrophobicContact CD2-CG2 4.11Å; F77-V81 HydrophobicContact CE1-CG2 4.3Å; F77-V81 HydrophobicContact CE2-CG2 3.64Å; F77-V81 HydrophobicContact CZ-CG2 3.75Å; F77-V81 WeakPolarHBondContact O-CG2 3.46Å; F77-V81 PolarHBondContact O-N 3.06Å; Q79-V81 PolarHBondContact O-N 3.08Å; V81-L85 PolarHBondContact O-N 2.85Å; V81-L85 VanDerWaalsContact O-N 3.14Å; V81-F100 HydrophobicContact CG1-CB 4.08Å; V81-F100 HydrophobicContact CG1-CG 4.38Å; V81-L104 HydrophobicContact CB-CD2 4.13Å; V81-L104 HydrophobicContact CG1-CD1 4.24Å; V81-L104 HydrophobicContact CG1-CD2 3.92Å; V81-L104 HydrophobicContact CG1-CG 3.88Å
82K87Confident84.2Confident44 Ų4453.4 Ų53.419%0.19129%0.289CS..Hα-helixtrans-61.4-49.4174.7-164.4-167.4173.9-177.50110.8P78 Q79 E80 L85 S86 S117 L121P78-K82 WeakPolarHBondContact O-CB 3.3Å; P78-K82 PolarHBondContact O-N 3.14Å; Q79-K82 WeakPolarHBondContact O-CA 3.4Å; Q79-K82 VanDerWaalsContact O-CB 3.3Å; Q79-K82 WeakPolarHBondContact O-CB 3.32Å; Q79-K82 PolarHBondContact O-N 3.19Å; Q79-K82 VanDerWaalsContact O-N 3.1Å; E80-K82 VanDerWaalsContact C-N 3.31Å; E80-K82 PolarHBondContact O-N 3.26Å; K82-L85 PolarHBondContact O-N 3.08Å; K82-S86 PolarHBondContact O-N 2.91Å; K82-S86 PolarHBondContact O-OG 3.03Å; K82-S117 WeakPolarHBondContact CE-O 3.45Å; K82-S117 PolarHBondContact NZ-O 3.06Å; K82-S117 VanDerWaalsContact NZ-O 3.15Å; K82-S117 PolarHBondContact NZ-OG 3.41Å; K82-L121 HydrophobicContact CB-CD2 4.48Å; K82-L121 HydrophobicContact CG-CD2 3.66Å
83D87.6Confident84.2Confident70 Ų7047.8 Ų47.837%0.37426%0.264SS..Hα-helixtrans-66.8-39.6-177.2-64.7-19.1000111.7Q79 E80 L85 S86 C87Q79-D83 PolarHBondContact NE2-OD1 3.23Å; Q79-D83 VanDerWaalsContact O-CG 3.23Å; Q79-D83 PolarHBondContact O-N 3.49Å; E80-D83 PolarHBondContact O-N 3.4Å; D83-L85 VanDerWaalsContact C-N 3.28Å; D83-L85 PolarHBondContact O-N 3.11Å; D83-S86 WeakPolarHBondContact CA-OG 3.01Å; D83-S86 PolarHBondContact O-N 2.9Å; D83-S86 PolarHBondContact O-OG 2.84Å; D83-C87 VanDerWaalsContact O-CB 3.31Å; D83-C87 WeakPolarHBondContact O-CB 3.46Å; D83-C87 PolarHBondContact O-N 3.09Å; D83-C87 PolarHBondContact O-SG 2.75Å
84L85.9Confident84.3Confident6 Ų646.1 Ų46.13%0.03127%0.265CS..Hα-helixtrans-61.1-37.5173.6-72.7171.6000112V42 F45 K46 E80 N88V42-L84 HydrophobicContact CG1-CD1 3.98Å; V42-L84 HydrophobicContact CG1-CD2 4.26Å; V42-L84 HydrophobicContact CG2-CD1 4.24Å; F45-L84 HydrophobicContact CD1-CD2 4.31Å; K46-L84 HydrophobicContact CG-CD2 3.97Å; E80-L84 WeakPolarHBondContact O-CB 3.42Å; E80-L84 VanDerWaalsContact O-CG 3.23Å; E80-L84 WeakPolarHBondContact O-CG 3.31Å; E80-L84 PolarHBondContact O-N 2.85Å; L84-N88 PolarHBondContact O-N 2.88Å
85L86.1Confident84.3Confident0 Ų051.7 Ų51.70%030%0.295CS..Hα-helixtrans-71.9-47.6174.9-81.8173.2000111.8V81 K82 D83 C87 N88 H89 L92 R97 F100 L104 L121 L125V81-L85 PolarHBondContact O-N 2.85Å; V81-L85 VanDerWaalsContact O-N 3.14Å; K82-L85 PolarHBondContact O-N 3.08Å; D83-L85 VanDerWaalsContact C-N 3.28Å; D83-L85 PolarHBondContact O-N 3.11Å; L85-C87 PolarHBondContact O-N 3.39Å; L85-N88 PolarHBondContact O-N 3.29Å; L85-H89 WeakPolarHBondContact O-CA 3.45Å; L85-H89 WeakPolarHBondContact O-CB 3.15Å; L85-H89 PolarHBondContact O-N 3.31Å; L85-L92 HydrophobicContact CD2-CD2 4.4Å; L85-R97 HydrophobicContact CD2-CG 4.05Å; L85-F100 HydrophobicContact CD1-CB 3.75Å; L85-F100 HydrophobicContact CD2-CB 3.91Å; L85-F100 HydrophobicContact CD2-CD2 3.95Å; L85-F100 HydrophobicContact CD2-CG 4.46Å; L85-F100 HydrophobicContact CG-CB 3.9Å; L85-F100 HydrophobicContact CG-CD2 4.04Å; L85-L104 HydrophobicContact CD1-CD1 3.57Å; L85-L121 HydrophobicContact CB-CD1 4.48Å; L85-L121 HydrophobicContact CB-CD2 4.14Å; L85-L121 HydrophobicContact CD1-CD2 4.16Å; L85-L125 HydrophobicContact CD1-CD1 4.43Å
86S83.1Confident84.5Confident43 Ų4348.2 Ų48.230%0.30127%0.27SS..Hα-helixtrans-66.5-35.5-176.957.10000113.2K82 D83 H89K82-S86 PolarHBondContact O-N 2.91Å; K82-S86 PolarHBondContact O-OG 3.03Å; D83-S86 WeakPolarHBondContact CA-OG 3.01Å; D83-S86 PolarHBondContact O-N 2.9Å; D83-S86 PolarHBondContact O-OG 2.84Å; S86-H89 PolarHBondContact O-CD2 3.08Å; S86-H89 VanDerWaalsContact O-CD2 3.22Å
87C80.5Confident84.6Confident97 Ų9743.9 Ų43.966%0.65525%0.246SC*.Hα-helixtrans-77.2-28.8-178.7-68.30000113.2D83 L85D83-C87 VanDerWaalsContact O-CB 3.31Å; D83-C87 WeakPolarHBondContact O-CB 3.46Å; D83-C87 PolarHBondContact O-N 3.09Å; D83-C87 PolarHBondContact O-SG 2.75Å; L85-C87 PolarHBondContact O-N 3.39Å
88N75.4Confident84.6Confident33 Ų3344.6 Ų44.618%0.17625%0.25CC..Hα-helixtrans-126.514.3-168.4-59.494.9000114.2P49 L84 L85 T90 V91 L92P49-N88 HydrophobicContact CB-CB 4.36Å; P49-N88 WeakPolarHBondContact CB-ND2 3.34Å; L84-N88 PolarHBondContact O-N 2.88Å; L85-N88 PolarHBondContact O-N 3.29Å; N88-T90 PolarHBondContact O-N 3.46Å; N88-V91 PolarHBondContact O-N 2.95Å; N88-V91 VanDerWaalsContact O-N 3.08Å; N88-L92 HydrophobicContact CB-CD1 3.56Å; N88-L92 PolarHBondContact O-N 3.24Å
89H74.1Confident84.7Confident36 Ų3645 Ų4517%0.16725%0.251CS..THydrogen-bonded Turntrans-56.9-29-17160.482.3000115L85 S86 R97 L125 C128L85-H89 WeakPolarHBondContact O-CA 3.45Å; L85-H89 WeakPolarHBondContact O-CB 3.15Å; L85-H89 PolarHBondContact O-N 3.31Å; S86-H89 PolarHBondContact O-CD2 3.08Å; S86-H89 VanDerWaalsContact O-CD2 3.22Å; H89-R97 PolarHBondContact O-NE 2.96Å; H89-R97 PolarHBondContact O-NH2 2.9Å; H89-L125 HydrophobicContact CB-CD2 3.43Å; H89-L125 VanDerWaalsContact CB-CD2 3.43Å; H89-C128 PolarHBondContact O-SG 2.98Å; H89-C128 VanDerWaalsContact O-SG 3.4Å
90T76.7Confident84.8Confident105 Ų10540.4 Ų40.464%0.64423%0.23SC*.THydrogen-bonded Turntrans-81.5-33.6177.550.40000113.6N88N88-T90 PolarHBondContact O-N 3.46Å
91V80.9Confident84.9Confident66 Ų6638 Ų3840%0.422%0.219SC..THydrogen-bonded Turntrans-90.4-24.3-173.1-177.30000112P49 N50 N88P49-V91 HydrophobicContact CG-CG1 4.5Å; N50-V91 HydrophobicContact CB-CG1 3.99Å; N88-V91 PolarHBondContact O-N 2.95Å; N88-V91 VanDerWaalsContact O-N 3.08Å
92L82.4Confident85.1Confident4 Ų443.1 Ų43.12%0.02124%0.241CC..SBendtrans-58.2144-178.8-127.594.1000112.6F45 L85 N88 L96 R97 F100F45-L92 HydrophobicContact CE1-CD1 3.76Å; F45-L92 HydrophobicContact CZ-CD1 3.49Å; F45-L92 VanDerWaalsContact CZ-CD1 3.49Å; F45-L92 HydrophobicContact CZ-CG 3.96Å; L85-L92 HydrophobicContact CD2-CD2 4.4Å; N88-L92 HydrophobicContact CB-CD1 3.56Å; N88-L92 PolarHBondContact O-N 3.24Å; L92-L96 HydrophobicContact CD2-CB 3.95Å; L92-R97 HydrophobicContact CB-CB 4.43Å; L92-R97 HydrophobicContact CD2-CB 3.94Å; L92-R97 PolarHBondContact O-NH2 3.27Å; L92-F100 HydrophobicContact CD2-CD2 3.85Å; L92-F100 HydrophobicContact CD2-CE2 3.84Å
93D84.8Confident85.3Confident42 Ų4241 Ų4123%0.22523%0.232CC..  trans-58.5137.8168.6178.882.8000111.2P52 D95 L96 R97P52-D93 HydrophobicContact CB-CB 4.25Å; D93-D95 VanDerWaalsContact C-N 3.33Å; D93-D95 PolarHBondContact O-N 2.96Å; D93-D95 WeakPolarHBondContact OD2-CB 3.26Å; D93-D95 PolarHBondContact OD2-N 3.4Å; D93-L96 HydrophobicContact CB-CB 4.25Å; D93-L96 HydrophobicContact CB-CD1 4.34Å; D93-L96 PolarHBondContact O-N 2.79Å; D93-L96 PolarHBondContact OD2-N 2.88Å; D93-R97 WeakPolarHBondContact O-CB 3.34Å; D93-R97 PolarHBondContact O-N 3.45Å
94P86.1Confident85.5Confident62 Ų6237.8 Ų37.840%0.40322%0.215SC..Hα-helixtrans-56.4-38.6-178.4-26.835.7000114.9R97 M98P94-R97 PolarHBondContact O-N 3.27Å; P94-M98 WeakPolarHBondContact O-CB 3.4Å; P94-M98 PolarHBondContact O-N 3.37Å
95D86.9Confident85.7Confident123 Ų12338.7 Ų38.766%0.65822%0.219SC*.Hα-helixtrans-73.8-40.2-177.2-71-26.7000111.2D93 M98 T99D93-D95 VanDerWaalsContact C-N 3.33Å; D93-D95 PolarHBondContact O-N 2.96Å; D93-D95 WeakPolarHBondContact OD2-CB 3.26Å; D93-D95 PolarHBondContact OD2-N 3.4Å; D95-M98 PolarHBondContact O-N 2.91Å; D95-T99 WeakPolarHBondContact O-CB 3.3Å; D95-T99 PolarHBondContact O-N 2.95Å; D95-T99 PolarHBondContact O-OG1 3.17Å
96L87.5Confident85.9Confident4 Ų441.1 Ų41.12%0.02123%0.232CC..Hα-helixtrans-60.2-46.7170.7-87.2-179.8000111.3F45 S53 A57 L92 D93 M98 T99 F100F45-L96 HydrophobicContact CE2-CD1 3.94Å; S53-L96 VanDerWaalsContact O-CD2 3.23Å; S53-L96 WeakPolarHBondContact O-CD2 3.35Å; A57-L96 HydrophobicContact CB-CD2 3.69Å; L92-L96 HydrophobicContact CD2-CB 3.95Å; D93-L96 HydrophobicContact CB-CB 4.25Å; D93-L96 HydrophobicContact CB-CD1 4.34Å; D93-L96 PolarHBondContact O-N 2.79Å; D93-L96 PolarHBondContact OD2-N 2.88Å; L96-M98 VanDerWaalsContact C-N 3.32Å; L96-M98 PolarHBondContact O-N 3.05Å; L96-T99 PolarHBondContact O-N 3.13Å; L96-T99 VanDerWaalsContact O-N 3.08Å; L96-F100 HydrophobicContact CD2-CE1 4.13Å; L96-F100 HydrophobicContact CD2-CZ 4.21Å; L96-F100 WeakPolarHBondContact O-CG 3.34Å; L96-F100 PolarHBondContact O-N 2.96Å
97R88.8Confident86.2Confident15 Ų1539.1 Ų39.16%0.05722%0.218CC..Hα-helixtrans-59.9-44.6-179.5-168.1-170-67117.70.9110.9L85 H89 L92 D93 P94 T99 C101 L133L85-R97 HydrophobicContact CD2-CG 4.05Å; H89-R97 PolarHBondContact O-NE 2.96Å; H89-R97 PolarHBondContact O-NH2 2.9Å; L92-R97 HydrophobicContact CB-CB 4.43Å; L92-R97 HydrophobicContact CD2-CB 3.94Å; L92-R97 PolarHBondContact O-NH2 3.27Å; D93-R97 WeakPolarHBondContact O-CB 3.34Å; D93-R97 PolarHBondContact O-N 3.45Å; P94-R97 PolarHBondContact O-N 3.27Å; R97-T99 VanDerWaalsContact C-N 3.34Å; R97-C101 PolarHBondContact O-N 2.9Å; R97-C101 PolarHBondContact O-SG 3.4Å; R97-L133 HydrophobicContact CG-CD2 3.76Å
98M89.5Confident86.7Confident15 Ų1535.7 Ų35.77%0.07419%0.191CC..Hα-helixtrans-61.9-42.1175.1179.163.471.700111.8P94 D95 L96 C101 K102 L132 L133 T136P94-M98 WeakPolarHBondContact O-CB 3.4Å; P94-M98 PolarHBondContact O-N 3.37Å; D95-M98 PolarHBondContact O-N 2.91Å; L96-M98 VanDerWaalsContact C-N 3.32Å; L96-M98 PolarHBondContact O-N 3.05Å; M98-C101 PolarHBondContact O-N 2.75Å; M98-K102 HydrophobicContact CG-CD 4.22Å; M98-K102 WeakPolarHBondContact O-CG 3.47Å; M98-K102 PolarHBondContact O-N 2.7Å; M98-K102 HydrophobicContact SD-CG 4.43Å; M98-L132 HydrophobicContact CE-CB 4.48Å; M98-L132 HydrophobicContact CE-CD2 4.21Å; M98-L132 HydrophobicContact CE-CG 3.94Å; M98-L133 VanDerWaalsContact CE-CA 3.49Å; M98-L133 HydrophobicContact CE-CB 4.05Å; M98-L133 HydrophobicContact CE-CD1 4.07Å; M98-L133 HydrophobicContact SD-CD1 4.2Å; M98-T136 HydrophobicContact SD-CG2 4.2Å
99T90.3Very high87.2Confident28 Ų2838.8 Ų38.817%0.17221%0.208CC..Hα-helixtrans-65-43.6-179.6-58.10000111.6A57 M61 D95 L96 R97 C101 K102 A103A57-T99 HydrophobicContact CB-CG2 3.88Å; M61-T99 HydrophobicContact CE-CG2 3.89Å; D95-T99 WeakPolarHBondContact O-CB 3.3Å; D95-T99 PolarHBondContact O-N 2.95Å; D95-T99 PolarHBondContact O-OG1 3.17Å; L96-T99 PolarHBondContact O-N 3.13Å; L96-T99 VanDerWaalsContact O-N 3.08Å; R97-T99 VanDerWaalsContact C-N 3.34Å; T99-C101 PolarHBondContact O-N 2.79Å; T99-K102 PolarHBondContact O-N 3.05Å; T99-A103 WeakPolarHBondContact O-CB 3.48Å; T99-A103 PolarHBondContact O-N 3.21Å
100F90.7Very high87.8Confident1 Ų140 Ų400%0.00421%0.213CC..Hα-helixtrans-63.9-40.9175.6-65.3-5.8000111.6L56 V60 V81 L85 L92 L96 K102 A103 L104L56-F100 HydrophobicContact CD2-CZ 3.89Å; L56-F100 HydrophobicContact CG-CE1 4.31Å; L56-F100 HydrophobicContact CG-CZ 4.09Å; V60-F100 HydrophobicContact CB-CD1 4.17Å; V60-F100 HydrophobicContact CB-CE1 4.05Å; V60-F100 HydrophobicContact CG1-CD1 3.75Å; V60-F100 HydrophobicContact CG1-CE1 4.12Å; V60-F100 HydrophobicContact CG2-CD1 4.17Å; V60-F100 HydrophobicContact CG2-CE1 3.67Å; V60-F100 HydrophobicContact CG2-CZ 4.46Å; V81-F100 HydrophobicContact CG1-CB 4.08Å; V81-F100 HydrophobicContact CG1-CG 4.38Å; L85-F100 HydrophobicContact CD1-CB 3.75Å; L85-F100 HydrophobicContact CD2-CB 3.91Å; L85-F100 HydrophobicContact CD2-CD2 3.95Å; L85-F100 HydrophobicContact CD2-CG 4.46Å; L85-F100 HydrophobicContact CG-CB 3.9Å; L85-F100 HydrophobicContact CG-CD2 4.04Å; L92-F100 HydrophobicContact CD2-CD2 3.85Å; L92-F100 HydrophobicContact CD2-CE2 3.84Å; L96-F100 HydrophobicContact CD2-CE1 4.13Å; L96-F100 HydrophobicContact CD2-CZ 4.21Å; L96-F100 WeakPolarHBondContact O-CG 3.34Å; L96-F100 PolarHBondContact O-N 2.96Å; F100-K102 PolarHBondContact O-N 2.89Å; F100-A103 WeakPolarHBondContact O-CB 3.48Å; F100-A103 PolarHBondContact O-N 3.05Å; F100-L104 WeakPolarHBondContact O-CG 3.28Å; F100-L104 PolarHBondContact O-N 3.31Å
101C91.4Very high88.1Confident2 Ų240.8 Ų40.81%0.01421%0.213CC..Hα-helixtrans-61.3-45.1174.1-66.80000111.6R97 M98 T99 A103 L104 I105 L133 L137R97-C101 PolarHBondContact O-N 2.9Å; R97-C101 PolarHBondContact O-SG 3.4Å; M98-C101 PolarHBondContact O-N 2.75Å; T99-C101 PolarHBondContact O-N 2.79Å; C101-A103 VanDerWaalsContact C-N 3.33Å; C101-A103 PolarHBondContact O-N 2.71Å; C101-L104 PolarHBondContact O-N 2.91Å; C101-I105 WeakPolarHBondContact O-CB 3.42Å; C101-I105 WeakPolarHBondContact O-CG1 3.25Å; C101-I105 PolarHBondContact O-N 3.07Å; C101-L133 HydrophobicContact CB-CD1 4.11Å; C101-L137 HydrophobicContact CB-CD2 4.34Å
102K91.2Very high88.3Confident109 Ų10941.4 Ų41.447%0.47421%0.214SC..Hα-helixtrans-61.6-39.7175.7-74173.4179.5174.30112.3M61 M98 T99 F100 I105 L106M61-K102 HydrophobicContact CE-CB 3.94Å; M98-K102 HydrophobicContact CG-CD 4.22Å; M98-K102 WeakPolarHBondContact O-CG 3.47Å; M98-K102 PolarHBondContact O-N 2.7Å; M98-K102 HydrophobicContact SD-CG 4.43Å; T99-K102 PolarHBondContact O-N 3.05Å; F100-K102 PolarHBondContact O-N 2.89Å; K102-I105 PolarHBondContact O-N 3.42Å; K102-L106 WeakPolarHBondContact O-CB 3.45Å; K102-L106 PolarHBondContact O-N 3.32Å
103A91.7Very high88.5Confident1 Ų142.3 Ų42.31%0.00822%0.218CC..Hα-helixtrans-62.6-46.4176.300000111.5V60 M61 A64 T99 F100 C101 L106 L107V60-A103 HydrophobicContact CG1-CB 3.68Å; M61-A103 HydrophobicContact CE-CB 4.43Å; A64-A103 HydrophobicContact CB-CB 3.78Å; T99-A103 WeakPolarHBondContact O-CB 3.48Å; T99-A103 PolarHBondContact O-N 3.21Å; F100-A103 WeakPolarHBondContact O-CB 3.48Å; F100-A103 PolarHBondContact O-N 3.05Å; C101-A103 VanDerWaalsContact C-N 3.33Å; C101-A103 PolarHBondContact O-N 2.71Å; A103-L106 WeakPolarHBondContact O-CB 3.48Å; A103-L106 PolarHBondContact O-N 2.95Å; A103-L107 WeakPolarHBondContact O-CG 3.41Å; A103-L107 PolarHBondContact O-N 2.71Å
104L91.4Very high88.5Confident2 Ų246.3 Ų46.31%0.0124%0.24CC..Hα-helixtrans-64-40175.5-69.2177000112.7V81 L85 F100 C101 L106 L107 R108 I113 L118 L121 F122V81-L104 HydrophobicContact CB-CD2 4.13Å; V81-L104 HydrophobicContact CG1-CD1 4.24Å; V81-L104 HydrophobicContact CG1-CD2 3.92Å; V81-L104 HydrophobicContact CG1-CG 3.88Å; L85-L104 HydrophobicContact CD1-CD1 3.57Å; F100-L104 WeakPolarHBondContact O-CG 3.28Å; F100-L104 PolarHBondContact O-N 3.31Å; C101-L104 PolarHBondContact O-N 2.91Å; L104-L106 VanDerWaalsContact C-N 3.31Å; L104-L106 PolarHBondContact O-N 2.68Å; L104-L107 HydrophobicContact CD2-CD1 4.34Å; L104-L107 PolarHBondContact O-N 3.27Å; L104-R108 WeakPolarHBondContact O-CB 3.45Å; L104-R108 PolarHBondContact O-N 3.47Å; L104-I113 HydrophobicContact CD2-CD1 3.8Å; L104-L118 HydrophobicContact CB-CD1 3.81Å; L104-L118 HydrophobicContact CD1-CD1 3.91Å; L104-L118 HydrophobicContact CG-CD1 4.34Å; L104-L121 HydrophobicContact CD1-CD2 3.92Å; L104-F122 HydrophobicContact CB-CE1 4.47Å; L104-F122 HydrophobicContact CB-CZ 4.31Å; L104-F122 HydrophobicContact CD1-CE1 4.39Å
105I91Very high88.5Confident24 Ų2444.3 Ų44.312%0.12323%0.227CC..Hα-helixtrans-58.9-43.8173.1-71.4169000110.8C101 K102 R108 N109 F122 H140C101-I105 WeakPolarHBondContact O-CB 3.42Å; C101-I105 WeakPolarHBondContact O-CG1 3.25Å; C101-I105 PolarHBondContact O-N 3.07Å; K102-I105 PolarHBondContact O-N 3.42Å; I105-R108 WeakPolarHBondContact O-CB 3.3Å; I105-R108 PolarHBondContact O-N 3.5Å; I105-N109 VanDerWaalsContact O-CG 3.3Å; I105-N109 PolarHBondContact O-N 3.34Å; I105-N109 PolarHBondContact O-ND2 3.38Å; I105-F122 HydrophobicContact CD1-CZ 4.45Å; I105-F122 HydrophobicContact CG1-CE2 3.95Å; I105-F122 HydrophobicContact CG1-CZ 3.74Å; I105-H140 HydrophobicContact CD1-CB 4.03Å; I105-H140 WeakPolarHBondContact CG2-CD2 3.42Å; I105-H140 WeakPolarHBondContact CG2-NE2 3.28Å
106L90.6Very high88.4Confident51 Ų5139.8 Ų39.827%0.26721%0.205SC..Hα-helixtrans-64.2-44.3178.5-174.872.4000111.9A64 Q65 K102 A103 L104 R108 N109 K110A64-L106 HydrophobicContact CB-CD2 4.21Å; Q65-L106 HydrophobicContact CB-CD2 4.29Å; Q65-L106 HydrophobicContact CG-CD2 3.47Å; Q65-L106 VanDerWaalsContact CG-CD2 3.47Å; K102-L106 WeakPolarHBondContact O-CB 3.45Å; K102-L106 PolarHBondContact O-N 3.32Å; A103-L106 WeakPolarHBondContact O-CB 3.48Å; A103-L106 PolarHBondContact O-N 2.95Å; L104-L106 VanDerWaalsContact C-N 3.31Å; L104-L106 PolarHBondContact O-N 2.68Å; L106-R108 VanDerWaalsContact C-N 3.26Å; L106-R108 PolarHBondContact O-N 3.22Å; L106-N109 PolarHBondContact O-N 2.9Å; L106-K110 WeakPolarHBondContact O-CG 3.32Å; L106-K110 PolarHBondContact O-N 3.43Å
107L89.6Confident88.4Confident1 Ų141.5 Ų41.51%0.00522%0.217CC..Hα-helixtrans-61.5-37175.5-70.1171000111.6A64 S67 F77 P78 A103 L104 K110 N111 L112 I113A64-L107 HydrophobicContact CB-CD2 4.36Å; A64-L107 HydrophobicContact CB-CG 4.16Å; S67-L107 VanDerWaalsContact CB-CD2 3.4Å; S67-L107 VanDerWaalsContact OG-CD2 3.24Å; S67-L107 WeakPolarHBondContact OG-CD2 3.49Å; F77-L107 HydrophobicContact CD1-CD1 4.11Å; F77-L107 HydrophobicContact CE1-CD1 3.89Å; P78-L107 HydrophobicContact CB-CD1 4.23Å; P78-L107 HydrophobicContact CG-CD1 4.14Å; A103-L107 WeakPolarHBondContact O-CG 3.41Å; A103-L107 PolarHBondContact O-N 2.71Å; L104-L107 HydrophobicContact CD2-CD1 4.34Å; L104-L107 PolarHBondContact O-N 3.27Å; L107-K110 PolarHBondContact O-N 2.9Å; L107-N111 PolarHBondContact O-N 3.18Å; L107-L112 HydrophobicContact CD2-CD1 3.94Å; L107-L112 PolarHBondContact O-N 2.92Å; L107-L112 VanDerWaalsContact O-N 3.1Å; L107-I113 HydrophobicContact CB-CD1 3.48Å; L107-I113 VanDerWaalsContact CB-CD1 3.48Å; L107-I113 HydrophobicContact CB-CG1 3.93Å; L107-I113 HydrophobicContact CD1-CD1 3.93Å; L107-I113 HydrophobicContact CG-CD1 4.37Å
108R89Confident88.4Confident25 Ų2540.9 Ų40.99%0.09422%0.215CC..Hα-helixtrans-65.8-44.7175.1179.563.3-166.612617.4112.6L104 I105 L106 K110 N111 I113 L118 D144L104-R108 WeakPolarHBondContact O-CB 3.45Å; L104-R108 PolarHBondContact O-N 3.47Å; I105-R108 WeakPolarHBondContact O-CB 3.3Å; I105-R108 PolarHBondContact O-N 3.5Å; L106-R108 VanDerWaalsContact C-N 3.26Å; L106-R108 PolarHBondContact O-N 3.22Å; R108-K110 PolarHBondContact O-N 3.43Å; R108-K110 VanDerWaalsContact O-N 3.15Å; R108-N111 WeakPolarHBondContact O-CA 3.45Å; R108-N111 PolarHBondContact O-N 2.99Å; R108-I113 PolarHBondContact NH1-O 3.02Å; R108-L118 HydrophobicContact CB-CD2 3.56Å; R108-L118 HydrophobicContact CG-CD2 3.78Å; R108-D144 IonicContact NE-OD1 2.99Å; R108-D144 IonicContact NE-OD2 2.82Å; R108-D144 PolarHBondContact NE-OD2 2.96Å; R108-D144 IonicContact NH2-OD1 3.34Å
109N87.4Confident88.3Confident99 Ų9940.2 Ų40.253%0.52921%0.211SC..Hα-helixtrans-60.1-25.2176.4-70.1-22.5000112.5I105 L106 N111I105-N109 VanDerWaalsContact O-CG 3.3Å; I105-N109 PolarHBondContact O-N 3.34Å; I105-N109 PolarHBondContact O-ND2 3.38Å; L106-N109 PolarHBondContact O-N 2.9Å; N109-N111 VanDerWaalsContact C-N 3.34Å
110K85.8Confident88.3Confident60 Ų6041.6 Ų41.626%0.26122%0.216SC..THydrogen-bonded Turntrans-88.14.1173.2-64.6176.9176.6-1740114.1A64 Q65 S67 H68 L106 L107 R108 L112A64-K110 PolarHBondContact O-NZ 3.47Å; A64-K110 VanDerWaalsContact O-NZ 3.15Å; Q65-K110 VanDerWaalsContact C-NZ 3.28Å; Q65-K110 PolarHBondContact O-NZ 3.1Å; S67-K110 PolarHBondContact OG-NZ 2.96Å; H68-K110 HydrophobicContact CB-CD 4.44Å; H68-K110 PolarHBondContact ND1-NZ 3.41Å; L106-K110 WeakPolarHBondContact O-CG 3.32Å; L106-K110 PolarHBondContact O-N 3.43Å; L107-K110 PolarHBondContact O-N 2.9Å; R108-K110 PolarHBondContact O-N 3.43Å; R108-K110 VanDerWaalsContact O-N 3.15Å; K110-L112 VanDerWaalsContact C-N 3.25Å; K110-L112 HydrophobicContact CB-CD1 4.24Å; K110-L112 HydrophobicContact CB-CG 4.1Å; K110-L112 HydrophobicContact CD-CD1 4.44Å; K110-L112 PolarHBondContact O-N 3.32Å
111N84.3Confident88.2Confident123 Ų12341.7 Ų41.766%0.65822%0.216SC*.THydrogen-bonded Turntrans58.826.6-176.9-61.3-57.1000115.4L107 R108 N109 I113L107-N111 PolarHBondContact O-N 3.18Å; R108-N111 WeakPolarHBondContact O-CA 3.45Å; R108-N111 PolarHBondContact O-N 2.99Å; N109-N111 VanDerWaalsContact C-N 3.34Å; N111-I113 VanDerWaalsContact C-N 3.35Å
112L83.9Confident88.1Confident79 Ų7941.6 Ų41.641%0.41422%0.216SC..  trans-85.3-8.6177.6-61.5176.2000113.3S67 L107 K110S67-L112 WeakPolarHBondContact OG-CD1 3.08Å; L107-L112 HydrophobicContact CD2-CD1 3.94Å; L107-L112 PolarHBondContact O-N 2.92Å; L107-L112 VanDerWaalsContact O-N 3.1Å; K110-L112 VanDerWaalsContact C-N 3.25Å; K110-L112 HydrophobicContact CB-CD1 4.24Å; K110-L112 HydrophobicContact CB-CG 4.1Å; K110-L112 HydrophobicContact CD-CD1 4.44Å; K110-L112 PolarHBondContact O-N 3.32Å
113I86.4Confident87.9Confident22 Ų2236.4 Ų36.411%0.11319%0.193CC..SBendtrans-127.9139-177.7-55178.7000110.2P78 L104 L107 R108 N111 L118P78-I113 HydrophobicContact CB-CD1 3.82Å; P78-I113 HydrophobicContact CB-CG1 3.83Å; P78-I113 HydrophobicContact CG-CG1 4.32Å; L104-I113 HydrophobicContact CD2-CD1 3.8Å; L107-I113 HydrophobicContact CB-CD1 3.48Å; L107-I113 VanDerWaalsContact CB-CD1 3.48Å; L107-I113 HydrophobicContact CB-CG1 3.93Å; L107-I113 HydrophobicContact CD1-CD1 3.93Å; L107-I113 HydrophobicContact CG-CD1 4.37Å; R108-I113 PolarHBondContact NH1-O 3.02Å; N111-I113 VanDerWaalsContact C-N 3.35Å; I113-L118 HydrophobicContact CG2-CB 4.07Å
114N85.2Confident87.6Confident127 Ų12739.4 Ų39.468%0.67921%0.207SC*.  trans-64.6125.4171.3-75.7-29.8000111.4S116 L118N114-S116 PolarHBondContact O-N 3.21Å; N114-L118 PolarHBondContact O-N 3.18Å
115P85.3Confident87.4Confident19 Ų1939.3 Ų39.312%0.12321%0.207CC..Hα-helixtrans-60.8-40.7-174.69.8-16000113.6S117 L118 L119 I148P115-S117 PolarHBondContact O-N 2.8Å; P115-L118 PolarHBondContact O-N 2.94Å; P115-L119 WeakPolarHBondContact O-CB 3.29Å; P115-L119 VanDerWaalsContact O-CG 3.27Å; P115-L119 WeakPolarHBondContact O-CG 3.33Å; P115-L119 PolarHBondContact O-N 3.14Å; P115-I148 HydrophobicContact CB-CD1 3.66Å; P115-I148 HydrophobicContact CG-CD1 4.18Å
116S86.3Confident87.1Confident29 Ų2938.2 Ų38.220%0.20320%0.201CC..Hα-helixtrans-59.4-51.1-176.7-460000112N114 L118 L119 E120N114-S116 PolarHBondContact O-N 3.21Å; S116-L118 VanDerWaalsContact C-N 3.28Å; S116-L118 PolarHBondContact O-N 2.79Å; S116-L119 PolarHBondContact O-N 2.94Å; S116-E120 VanDerWaalsContact O-CG 3.29Å; S116-E120 WeakPolarHBondContact O-CG 3.32Å; S116-E120 PolarHBondContact O-N 2.79Å
117S86.8Confident86.9Confident39 Ų3940 Ų4027%0.27320%0.204SC..Hα-helixtrans-62-34-179.3178.30000112.9K82 P115K82-S117 WeakPolarHBondContact CE-O 3.45Å; K82-S117 PolarHBondContact NZ-O 3.06Å; K82-S117 VanDerWaalsContact NZ-O 3.15Å; K82-S117 PolarHBondContact NZ-OG 3.41Å; P115-S117 PolarHBondContact O-N 2.8Å
118L88.6Confident86.5Confident3 Ų340.1 Ų40.12%0.01621%0.205CC..Hα-helixtrans-76.5-44.4178-179.562.3000112.2L104 R108 I113 N114 P115 S116 E120 L121 F122L104-L118 HydrophobicContact CB-CD1 3.81Å; L104-L118 HydrophobicContact CD1-CD1 3.91Å; L104-L118 HydrophobicContact CG-CD1 4.34Å; R108-L118 HydrophobicContact CB-CD2 3.56Å; R108-L118 HydrophobicContact CG-CD2 3.78Å; I113-L118 HydrophobicContact CG2-CB 4.07Å; N114-L118 PolarHBondContact O-N 3.18Å; P115-L118 PolarHBondContact O-N 2.94Å; S116-L118 VanDerWaalsContact C-N 3.28Å; S116-L118 PolarHBondContact O-N 2.79Å; L118-E120 VanDerWaalsContact C-N 3.34Å; L118-L121 PolarHBondContact O-N 3.35Å; L118-F122 HydrophobicContact CD1-CD1 4.21Å; L118-F122 HydrophobicContact CD1-CE1 3.59Å; L118-F122 HydrophobicContact CD1-CE2 3.99Å; L118-F122 HydrophobicContact CD1-CZ 3.47Å; L118-F122 VanDerWaalsContact CD1-CZ 3.47Å; L118-F122 HydrophobicContact CD2-CE2 3.87Å; L118-F122 HydrophobicContact CD2-CZ 3.95Å; L118-F122 HydrophobicContact CG-CD2 4.17Å; L118-F122 HydrophobicContact CG-CE1 4.2Å; L118-F122 HydrophobicContact CG-CE2 3.68Å; L118-F122 HydrophobicContact CG-CZ 3.71Å; L118-F122 WeakPolarHBondContact O-CG 3.45Å; L118-F122 PolarHBondContact O-N 3.13Å
119L88.7Confident86Confident0 Ų047.1 Ų47.10%024%0.239CC..Hα-helixtrans-64.3-41.1-179.9-71.5171.9000110.7P115 S116 L121 F122 F123 I141 I145 L161P115-L119 WeakPolarHBondContact O-CB 3.29Å; P115-L119 VanDerWaalsContact O-CG 3.27Å; P115-L119 WeakPolarHBondContact O-CG 3.33Å; P115-L119 PolarHBondContact O-N 3.14Å; S116-L119 PolarHBondContact O-N 2.94Å; L119-L121 VanDerWaalsContact C-N 3.34Å; L119-L121 PolarHBondContact O-N 3.42Å; L119-F122 HydrophobicContact CD2-CD2 4.44Å; L119-F122 PolarHBondContact O-N 2.88Å; L119-F123 HydrophobicContact CB-CE2 4.37Å; L119-F123 WeakPolarHBondContact O-CD2 3.36Å; L119-F123 PolarHBondContact O-N 3.13Å; L119-I141 HydrophobicContact CD2-CB 4.34Å; L119-I141 HydrophobicContact CD2-CG1 3.98Å; L119-I141 HydrophobicContact CD2-CG2 4.27Å; L119-I145 HydrophobicContact CD1-CD1 4.48Å; L119-I145 HydrophobicContact CD1-CG1 4.03Å; L119-L161 HydrophobicContact CB-CD2 3.71Å; L119-L161 HydrophobicContact CD1-CD1 3.6Å; L119-L161 HydrophobicContact CD1-CD2 3.82Å; L119-L161 HydrophobicContact CD1-CG 4.34Å; L119-L161 HydrophobicContact CG-CD2 4.43Å
120E88.8Confident85.9Confident58 Ų5844 Ų4427%0.27122%0.222SC..Hα-helixtrans-51.6-50.7172.3-74.7168.6-167.500111.6S116 L118 F122 F123 E124 F164S116-E120 VanDerWaalsContact O-CG 3.29Å; S116-E120 WeakPolarHBondContact O-CG 3.32Å; S116-E120 PolarHBondContact O-N 2.79Å; L118-E120 VanDerWaalsContact C-N 3.34Å; E120-F122 PolarHBondContact O-N 3.1Å; E120-F123 PolarHBondContact O-N 3.1Å; E120-E124 PolarHBondContact O-N 3.13Å; E120-E124 VanDerWaalsContact O-N 3.08Å; E120-F164 HydrophobicContact CB-CE2 4.17Å; E120-F164 HydrophobicContact CB-CZ 4.28Å; E120-F164 HydrophobicContact CG-CD2 3.82Å; E120-F164 HydrophobicContact CG-CE2 3.95Å; E120-F164 HydrophobicContact CG-CG 4.13Å; E120-F164 HydrophobicContact CG-CZ 4.38Å
121L88.7Confident86Confident2 Ų249.4 Ų49.41%0.0125%0.245CC..Hα-helixtrans-59.6-44.9175.1176.367.1000111.7K82 L85 L104 L118 L119 F123 E124 L125K82-L121 HydrophobicContact CB-CD2 4.48Å; K82-L121 HydrophobicContact CG-CD2 3.66Å; L85-L121 HydrophobicContact CB-CD1 4.48Å; L85-L121 HydrophobicContact CB-CD2 4.14Å; L85-L121 HydrophobicContact CD1-CD2 4.16Å; L104-L121 HydrophobicContact CD1-CD2 3.92Å; L118-L121 PolarHBondContact O-N 3.35Å; L119-L121 VanDerWaalsContact C-N 3.34Å; L119-L121 PolarHBondContact O-N 3.42Å; L121-F123 VanDerWaalsContact C-N 3.27Å; L121-F123 PolarHBondContact O-N 2.93Å; L121-E124 WeakPolarHBondContact O-CB 3.24Å; L121-E124 PolarHBondContact O-N 3.4Å; L121-E124 VanDerWaalsContact O-N 3.15Å; L121-L125 HydrophobicContact CD1-CG 4.3Å; L121-L125 HydrophobicContact CG-CD1 4.16Å; L121-L125 HydrophobicContact CG-CG 4.33Å; L121-L125 VanDerWaalsContact O-CG 3.31Å; L121-L125 WeakPolarHBondContact O-CG 3.47Å; L121-L125 PolarHBondContact O-N 3.28Å
122F89.5Confident86.3Confident0 Ų049 Ų490%024%0.243CC..Hα-helixtrans-62.9-34-179.3-71.1-12.4000113.1L104 I105 L118 L119 E120 L125 L126 L137 H140 I141L104-F122 HydrophobicContact CB-CE1 4.47Å; L104-F122 HydrophobicContact CB-CZ 4.31Å; L104-F122 HydrophobicContact CD1-CE1 4.39Å; I105-F122 HydrophobicContact CD1-CZ 4.45Å; I105-F122 HydrophobicContact CG1-CE2 3.95Å; I105-F122 HydrophobicContact CG1-CZ 3.74Å; L118-F122 HydrophobicContact CD1-CD1 4.21Å; L118-F122 HydrophobicContact CD1-CE1 3.59Å; L118-F122 HydrophobicContact CD1-CE2 3.99Å; L118-F122 HydrophobicContact CD1-CZ 3.47Å; L118-F122 VanDerWaalsContact CD1-CZ 3.47Å; L118-F122 HydrophobicContact CD2-CE2 3.87Å; L118-F122 HydrophobicContact CD2-CZ 3.95Å; L118-F122 HydrophobicContact CG-CD2 4.17Å; L118-F122 HydrophobicContact CG-CE1 4.2Å; L118-F122 HydrophobicContact CG-CE2 3.68Å; L118-F122 HydrophobicContact CG-CZ 3.71Å; L118-F122 WeakPolarHBondContact O-CG 3.45Å; L118-F122 PolarHBondContact O-N 3.13Å; L119-F122 HydrophobicContact CD2-CD2 4.44Å; L119-F122 PolarHBondContact O-N 2.88Å; E120-F122 PolarHBondContact O-N 3.1Å; F122-L125 HydrophobicContact CD1-CD1 4.22Å; F122-L125 PolarHBondContact O-N 3.33Å; F122-L126 PolarHBondContact O-N 3.15Å; F122-L137 HydrophobicContact CB-CD2 4.22Å; F122-L137 HydrophobicContact CD1-CD2 3.76Å; F122-L137 HydrophobicContact CD2-CD2 4.24Å; F122-L137 HydrophobicContact CE1-CD2 4.09Å; F122-L137 HydrophobicContact CG-CD2 3.83Å; F122-L137 HydrophobicContact CZ-CD2 4.47Å; F122-H140 AromaticContact CD2-ND1 3.96Å; F122-H140 AromaticContact CE2-CE1 3.81Å; F122-H140 AromaticContact CE2-ND1 3.51Å; F122-I141 HydrophobicContact CB-CD1 4.03Å; F122-I141 HydrophobicContact CB-CG1 4.2Å; F122-I141 HydrophobicContact CD2-CG1 4.36Å
123F86.4Confident86.6Confident0 Ų045.3 Ų45.30%022%0.224CC..Hα-helixtrans-70.4-38.2173-77.4-71.4000112.3L119 E120 L121 L125 L126 I141 F164 M165 M168 V183L119-F123 HydrophobicContact CB-CE2 4.37Å; L119-F123 WeakPolarHBondContact O-CD2 3.36Å; L119-F123 PolarHBondContact O-N 3.13Å; E120-F123 PolarHBondContact O-N 3.1Å; L121-F123 VanDerWaalsContact C-N 3.27Å; L121-F123 PolarHBondContact O-N 2.93Å; F123-L125 VanDerWaalsContact C-N 3.3Å; F123-L125 PolarHBondContact O-N 3.14Å; F123-L126 HydrophobicContact CD1-CD1 3.74Å; F123-L126 HydrophobicContact CE1-CD1 4.36Å; F123-L126 VanDerWaalsContact O-CB 3.28Å; F123-L126 WeakPolarHBondContact O-CB 3.5Å; F123-L126 PolarHBondContact O-N 3.18Å; F123-L126 VanDerWaalsContact O-N 3.14Å; F123-I141 HydrophobicContact CD1-CD1 4.37Å; F123-I141 HydrophobicContact CE1-CD1 4.15Å; F123-I141 HydrophobicContact CE1-CG2 4.3Å; F123-I141 HydrophobicContact CE2-CD1 4.43Å; F123-I141 HydrophobicContact CE2-CG2 4.05Å; F123-I141 HydrophobicContact CZ-CD1 4.17Å; F123-I141 HydrophobicContact CZ-CG2 3.54Å; F123-F164 HydrophobicContact CB-CD1 4.32Å; F123-F164 HydrophobicContact CB-CE1 3.47Å; F123-F164 VanDerWaalsContact CB-CE1 3.47Å; F123-F164 HydrophobicContact CB-CZ 4.28Å; F123-F164 HydrophobicContact CD2-CD1 4.24Å; F123-F164 HydrophobicContact CD2-CE1 4.15Å; F123-F164 HydrophobicContact CG-CD1 4.44Å; F123-F164 HydrophobicContact CG-CE1 4.03Å; F123-M165 HydrophobicContact CD1-CE 3.7Å; F123-M165 HydrophobicContact CD1-SD 4.09Å; F123-M165 HydrophobicContact CD2-CE 3.39Å; F123-M165 HydrophobicContact CE1-CE 3.4Å; F123-M165 HydrophobicContact CE1-SD 3.53Å; F123-M165 VanDerWaalsContact CE1-SD 3.53Å; F123-M165 HydrophobicContact CE2-CE 3.1Å; F123-M165 HydrophobicContact CE2-SD 4.27Å; F123-M165 HydrophobicContact CG-CE 3.72Å; F123-M165 HydrophobicContact CZ-CE 3.09Å; F123-M165 HydrophobicContact CZ-SD 3.65Å; F123-M168 HydrophobicContact CB-CE 4.36Å; F123-M168 WeakPolarHBondContact O-CE 3.25Å; F123-V183 HydrophobicContact CE1-CG1 4.4Å; F123-V183 HydrophobicContact CE1-CG2 4.47Å; F123-V183 HydrophobicContact CZ-CG1 4.22Å
124E86.6Confident86.8Confident65 Ų6546.2 Ų46.230%0.30423%0.225SC..Hα-helixtrans-61.3-39.9172-69.5176.417400111.7E120 L121 L126 R127 F164E120-E124 PolarHBondContact O-N 3.13Å; E120-E124 VanDerWaalsContact O-N 3.08Å; L121-E124 WeakPolarHBondContact O-CB 3.24Å; L121-E124 PolarHBondContact O-N 3.4Å; L121-E124 VanDerWaalsContact O-N 3.15Å; E124-L126 PolarHBondContact O-N 3.26Å; E124-R127 VanDerWaalsContact O-CB 3.26Å; E124-R127 WeakPolarHBondContact O-CB 3.39Å; E124-R127 VanDerWaalsContact O-CG 3.27Å; E124-R127 WeakPolarHBondContact O-CG 3.46Å; E124-R127 PolarHBondContact O-N 2.94Å; E124-F164 HydrophobicContact CG-CZ 4.4Å
125L87.1Confident87.1Confident0 Ų047.2 Ų47.20%022%0.224CC..G310 helixtrans-66-15.2176.7-68.5178.6000113.6L85 H89 L121 F122 F123 R127 C128 L137L85-L125 HydrophobicContact CD1-CD1 4.43Å; H89-L125 HydrophobicContact CB-CD2 3.43Å; H89-L125 VanDerWaalsContact CB-CD2 3.43Å; L121-L125 HydrophobicContact CD1-CG 4.3Å; L121-L125 HydrophobicContact CG-CD1 4.16Å; L121-L125 HydrophobicContact CG-CG 4.33Å; L121-L125 VanDerWaalsContact O-CG 3.31Å; L121-L125 WeakPolarHBondContact O-CG 3.47Å; L121-L125 PolarHBondContact O-N 3.28Å; F122-L125 HydrophobicContact CD1-CD1 4.22Å; F122-L125 PolarHBondContact O-N 3.33Å; F123-L125 VanDerWaalsContact C-N 3.3Å; F123-L125 PolarHBondContact O-N 3.14Å; L125-R127 PolarHBondContact O-N 2.99Å; L125-C128 WeakPolarHBondContact O-CB 3.33Å; L125-C128 PolarHBondContact O-N 2.85Å; L125-C128 VanDerWaalsContact O-N 3.12Å; L125-L137 HydrophobicContact CB-CD1 3.73Å; L125-L137 HydrophobicContact CD1-CD1 4.5Å
126L84.9Confident87.3Confident1 Ų148.6 Ų48.61%0.00523%0.232CC..G310 helixtrans-65.2-15.4171.3-61.6178.2000112.6F122 F123 E124 C128 R134 L137 A176 M179F122-L126 PolarHBondContact O-N 3.15Å; F123-L126 HydrophobicContact CD1-CD1 3.74Å; F123-L126 HydrophobicContact CE1-CD1 4.36Å; F123-L126 VanDerWaalsContact O-CB 3.28Å; F123-L126 WeakPolarHBondContact O-CB 3.5Å; F123-L126 PolarHBondContact O-N 3.18Å; F123-L126 VanDerWaalsContact O-N 3.14Å; E124-L126 PolarHBondContact O-N 3.26Å; L126-C128 PolarHBondContact O-N 3.04Å; L126-R134 HydrophobicContact CD2-CB 4.44Å; L126-R134 HydrophobicContact CD2-CG 4.12Å; L126-R134 WeakPolarHBondContact O-CD 3.36Å; L126-L137 HydrophobicContact CD2-CB 4.2Å; L126-L137 HydrophobicContact CD2-CD1 4.38Å; L126-A176 HydrophobicContact CB-CB 4.18Å; L126-M179 HydrophobicContact CD1-CB 4.12Å; L126-M179 HydrophobicContact CD2-CE 4.09Å; L126-M179 HydrophobicContact CD2-SD 4.36Å
127R84.8Confident87.6Confident88 Ų8847.2 Ų47.233%0.33222%0.222SC..G310 helixtrans-67.2-23.9172.8-65.8175174.7162.42.1112.7E124 L125 D171 N173 A176E124-R127 VanDerWaalsContact O-CB 3.26Å; E124-R127 WeakPolarHBondContact O-CB 3.39Å; E124-R127 VanDerWaalsContact O-CG 3.27Å; E124-R127 WeakPolarHBondContact O-CG 3.46Å; E124-R127 PolarHBondContact O-N 2.94Å; L125-R127 PolarHBondContact O-N 2.99Å; R127-D171 IonicContact CZ-OD2 2.62Å; R127-D171 IonicContact NE-OD2 3.27Å; R127-D171 PolarHBondContact NE-OD2 3.05Å; R127-D171 IonicContact NH2-OD1 2.68Å; R127-D171 IonicContact NH2-OD2 3.27Å; R127-D171 PolarHBondContact NH2-OD2 3.18Å; R127-N173 WeakPolarHBondContact CA-ND2 3.42Å; R127-N173 HydrophobicContact CG-CB 4.49Å; R127-N173 PolarHBondContact O-ND2 2.93Å; R127-A176 HydrophobicContact CG-CB 4.06Å
128C82.8Confident87.8Confident4 Ų447.9 Ų47.93%0.02722%0.219CC..SBendtrans-68.1146-176.6-63.90000112.4H89 L125 L126 D130 R134H89-C128 PolarHBondContact O-SG 2.98Å; H89-C128 VanDerWaalsContact O-SG 3.4Å; L125-C128 WeakPolarHBondContact O-CB 3.33Å; L125-C128 PolarHBondContact O-N 2.85Å; L125-C128 VanDerWaalsContact O-N 3.12Å; L126-C128 PolarHBondContact O-N 3.04Å; C128-D130 PolarHBondContact O-N 3.25Å; C128-D130 VanDerWaalsContact O-N 3.1Å; C128-R134 WeakPolarHBondContact O-CD 3.31Å; C128-R134 PolarHBondContact O-NE 2.63Å; C128-R134 PolarHBondContact O-NH1 2.87Å
129H78.5Confident88Confident172 Ų17251.3 Ų51.380%0.79624%0.24SC*.SBendtrans-77.812.5-175.4-67.2-72.7000115.1
130D85.4Confident88.2Confident33 Ų3352.4 Ų52.418%0.17625%0.245CC..  trans-90.2121.8179.6-177.1-8.5000111.6C128 L132 L133 R134C128-D130 PolarHBondContact O-N 3.25Å; C128-D130 VanDerWaalsContact O-N 3.1Å; D130-L132 PolarHBondContact OD1-N 3.13Å; D130-L133 HydrophobicContact CB-CB 3.91Å; D130-L133 PolarHBondContact OD1-N 2.93Å; D130-L133 WeakPolarHBondContact OD2-CB 3.45Å; D130-R134 WeakPolarHBondContact O-CB 3.46Å; D130-R134 VanDerWaalsContact O-CG 3.23Å; D130-R134 WeakPolarHBondContact O-CG 3.4Å; D130-R134 PolarHBondContact O-N 3.08Å; D130-R134 PolarHBondContact O-NE 3.23Å
131K88Confident88.3Confident173 Ų17349.7 Ų49.775%0.75223%0.233SC*.Hα-helixtrans-73-38178.8-172.7179.6179.3-1770112.5K135K131-K135 PolarHBondContact O-N 3.14Å; K131-K135 VanDerWaalsContact O-N 3.12Å
132L90.1Very high88.5Confident116 Ų11649.7 Ų49.761%0.60723%0.233SC*.Hα-helixtrans-72.2-44.5-176.4-176.666.5000110.5M98 D130 K135 T136M98-L132 HydrophobicContact CE-CB 4.48Å; M98-L132 HydrophobicContact CE-CD2 4.21Å; M98-L132 HydrophobicContact CE-CG 3.94Å; D130-L132 PolarHBondContact OD1-N 3.13Å; L132-K135 PolarHBondContact O-N 2.89Å; L132-T136 PolarHBondContact O-N 3.42Å; L132-T136 PolarHBondContact O-OG1 3.11Å
133L89.4Confident88.6Confident1 Ų152.4 Ų52.41%0.00525%0.25CC..Hα-helixtrans-57.8-51174.1179.262.2000111.4R97 M98 C101 D130 K135 T136 L137R97-L133 HydrophobicContact CG-CD2 3.76Å; M98-L133 VanDerWaalsContact CE-CA 3.49Å; M98-L133 HydrophobicContact CE-CB 4.05Å; M98-L133 HydrophobicContact CE-CD1 4.07Å; M98-L133 HydrophobicContact SD-CD1 4.2Å; C101-L133 HydrophobicContact CB-CD1 4.11Å; D130-L133 HydrophobicContact CB-CB 3.91Å; D130-L133 PolarHBondContact OD1-N 2.93Å; D130-L133 WeakPolarHBondContact OD2-CB 3.45Å; L133-K135 VanDerWaalsContact C-N 3.32Å; L133-K135 PolarHBondContact O-N 3.3Å; L133-T136 WeakPolarHBondContact O-CB 3.48Å; L133-T136 PolarHBondContact O-N 2.93Å; L133-L137 HydrophobicContact CD1-CD1 3.99Å; L133-L137 HydrophobicContact CD1-CD2 4.3Å; L133-L137 HydrophobicContact CD1-CG 3.87Å; L133-L137 HydrophobicContact CD2-CD1 4.37Å; L133-L137 HydrophobicContact CG-CD1 3.81Å; L133-L137 HydrophobicContact CG-CG 4.11Å; L133-L137 WeakPolarHBondContact O-CG 3.38Å; L133-L137 PolarHBondContact O-N 3.36Å
134R90.4Very high88.7Confident40 Ų4052.8 Ų52.815%0.15125%0.252CS..Hα-helixtrans-58.3-41.2179.9-78.1-175.4-60.2-167.3-1.1113L126 C128 D130 T136 Y138 T175 M179L126-R134 HydrophobicContact CD2-CB 4.44Å; L126-R134 HydrophobicContact CD2-CG 4.12Å; L126-R134 WeakPolarHBondContact O-CD 3.36Å; C128-R134 WeakPolarHBondContact O-CD 3.31Å; C128-R134 PolarHBondContact O-NE 2.63Å; C128-R134 PolarHBondContact O-NH1 2.87Å; D130-R134 WeakPolarHBondContact O-CB 3.46Å; D130-R134 VanDerWaalsContact O-CG 3.23Å; D130-R134 WeakPolarHBondContact O-CG 3.4Å; D130-R134 PolarHBondContact O-N 3.08Å; D130-R134 PolarHBondContact O-NE 3.23Å; R134-T136 VanDerWaalsContact C-N 3.34Å; R134-Y138 VanDerWaalsContact O-CB 3.22Å; R134-Y138 WeakPolarHBondContact O-CB 3.28Å; R134-Y138 PolarHBondContact O-N 2.94Å; R134-T175 PolarHBondContact NH1-OG1 3.35Å; R134-M179 HydrophobicContact CB-CE 3.83Å; R134-M179 HydrophobicContact CB-SD 3.71Å; R134-M179 HydrophobicContact CG-SD 4.02Å; R134-M179 WeakPolarHBondContact O-CE 3.49Å
135K91.1Very high88.9Confident148 Ų14849.7 Ų49.764%0.64324%0.237SC*.Hα-helixtrans-64.1-39.8175.4-172-179.6179.4-174.60112K131 L132 L133 T139K131-K135 PolarHBondContact O-N 3.14Å; K131-K135 VanDerWaalsContact O-N 3.12Å; L132-K135 PolarHBondContact O-N 2.89Å; L133-K135 VanDerWaalsContact C-N 3.32Å; L133-K135 PolarHBondContact O-N 3.3Å; K135-T139 PolarHBondContact O-N 3.02Å; K135-T139 VanDerWaalsContact O-N 3.11Å; K135-T139 PolarHBondContact O-OG1 3.32Å
136T90.9Very high89Confident48 Ų4855 Ų5529%0.29426%0.26SS..Hα-helixtrans-67.6-47.7178.6-53.50000110.9M98 L132 L133 R134 T139 H140M98-T136 HydrophobicContact SD-CG2 4.2Å; L132-T136 PolarHBondContact O-N 3.42Å; L132-T136 PolarHBondContact O-OG1 3.11Å; L133-T136 WeakPolarHBondContact O-CB 3.48Å; L133-T136 PolarHBondContact O-N 2.93Å; R134-T136 VanDerWaalsContact C-N 3.34Å; T136-T139 PolarHBondContact O-N 3Å; T136-H140 WeakPolarHBondContact O-CB 3.36Å; T136-H140 PolarHBondContact O-N 3.03Å
137L92Very high89.2Confident0 Ų059.6 Ų59.60%029%0.285CS..Hα-helixtrans-60.6-47.1175.7-68.1178.8000111.3C101 F122 L125 L126 L133 T139 H140 I141C101-L137 HydrophobicContact CB-CD2 4.34Å; F122-L137 HydrophobicContact CB-CD2 4.22Å; F122-L137 HydrophobicContact CD1-CD2 3.76Å; F122-L137 HydrophobicContact CD2-CD2 4.24Å; F122-L137 HydrophobicContact CE1-CD2 4.09Å; F122-L137 HydrophobicContact CG-CD2 3.83Å; F122-L137 HydrophobicContact CZ-CD2 4.47Å; L125-L137 HydrophobicContact CB-CD1 3.73Å; L125-L137 HydrophobicContact CD1-CD1 4.5Å; L126-L137 HydrophobicContact CD2-CB 4.2Å; L126-L137 HydrophobicContact CD2-CD1 4.38Å; L133-L137 HydrophobicContact CD1-CD1 3.99Å; L133-L137 HydrophobicContact CD1-CD2 4.3Å; L133-L137 HydrophobicContact CD1-CG 3.87Å; L133-L137 HydrophobicContact CD2-CD1 4.37Å; L133-L137 HydrophobicContact CG-CD1 3.81Å; L133-L137 HydrophobicContact CG-CG 4.11Å; L133-L137 WeakPolarHBondContact O-CG 3.38Å; L133-L137 PolarHBondContact O-N 3.36Å; L137-T139 VanDerWaalsContact C-N 3.33Å; L137-T139 PolarHBondContact O-N 3.2Å; L137-H140 PolarHBondContact O-N 2.91Å; L137-I141 HydrophobicContact CB-CD1 4.44Å; L137-I141 WeakPolarHBondContact O-CB 3.38Å; L137-I141 WeakPolarHBondContact O-CD1 3.47Å; L137-I141 WeakPolarHBondContact O-CG1 3.42Å; L137-I141 PolarHBondContact O-N 3.44Å
138Y91.9Very high89.3Confident53 Ų5356.7 Ų56.721%0.20828%0.275CS..Hα-helixtrans-53-50.6175.8176.7-89.3000112R134 H140 I141 V142 M179 D182 V183 E186R134-Y138 VanDerWaalsContact O-CB 3.22Å; R134-Y138 WeakPolarHBondContact O-CB 3.28Å; R134-Y138 PolarHBondContact O-N 2.94Å; Y138-H140 VanDerWaalsContact C-N 3.34Å; Y138-H140 PolarHBondContact O-N 3.27Å; Y138-I141 PolarHBondContact O-N 2.86Å; Y138-V142 HydrophobicContact CE1-CG2 4.35Å; Y138-V142 WeakPolarHBondContact O-CG2 3.4Å; Y138-V142 PolarHBondContact O-N 2.86Å; Y138-V142 VanDerWaalsContact O-N 3.15Å; Y138-M179 HydrophobicContact CD2-CE 4.22Å; Y138-M179 HydrophobicContact CG-CE 4.4Å; Y138-D182 HydrophobicContact CE2-CB 3.83Å; Y138-V183 HydrophobicContact CD2-CG2 3.4Å; Y138-V183 HydrophobicContact CE2-CB 4.37Å; Y138-V183 HydrophobicContact CE2-CG2 3.5Å; Y138-V183 HydrophobicContact CG-CG2 4.43Å; Y138-E186 WeakPolarHBondContact OH-CB 3.08Å
139T92.6Very high89.5Confident75 Ų7557.5 Ų57.546%0.4628%0.279SS..Hα-helixtrans-64-42.1-178.6-530000111.1K135 T136 L137 T143K135-T139 PolarHBondContact O-N 3.02Å; K135-T139 VanDerWaalsContact O-N 3.11Å; K135-T139 PolarHBondContact O-OG1 3.32Å; T136-T139 PolarHBondContact O-N 3Å; L137-T139 VanDerWaalsContact C-N 3.33Å; L137-T139 PolarHBondContact O-N 3.2Å; T139-T143 WeakPolarHBondContact O-CB 3.5Å; T139-T143 PolarHBondContact O-N 2.95Å; T139-T143 VanDerWaalsContact O-N 3.11Å; T139-T143 PolarHBondContact O-OG1 3.23Å
140H91.6Very high89.9Confident24 Ų2452.9 Ų52.911%0.11127%0.271CS..Hα-helixtrans-66.2-48.6178.3-179.7-88.6000111.9I105 F122 T136 L137 Y138 V142 T143 D144I105-H140 HydrophobicContact CD1-CB 4.03Å; I105-H140 WeakPolarHBondContact CG2-CD2 3.42Å; I105-H140 WeakPolarHBondContact CG2-NE2 3.28Å; F122-H140 AromaticContact CD2-ND1 3.96Å; F122-H140 AromaticContact CE2-CE1 3.81Å; F122-H140 AromaticContact CE2-ND1 3.51Å; T136-H140 WeakPolarHBondContact O-CB 3.36Å; T136-H140 PolarHBondContact O-N 3.03Å; L137-H140 PolarHBondContact O-N 2.91Å; Y138-H140 VanDerWaalsContact C-N 3.34Å; Y138-H140 PolarHBondContact O-N 3.27Å; H140-V142 VanDerWaalsContact C-N 3.34Å; H140-V142 PolarHBondContact O-N 3.1Å; H140-T143 CarbonylContact O-C 3.53Å; H140-T143 PolarHBondContact O-N 3.26Å; H140-T143 VanDerWaalsContact O-N 3.09Å; H140-D144 WeakPolarHBondContact O-CB 3.25Å; H140-D144 PolarHBondContact O-N 3.36Å
141I92.1Very high89.8Confident0 Ų061 Ų610%031%0.305CS..Hα-helixtrans-54.3-50.2179.5-70.8164.7000110.5L119 F122 F123 L137 Y138 T143 D144 I145 V183L119-I141 HydrophobicContact CD2-CB 4.34Å; L119-I141 HydrophobicContact CD2-CG1 3.98Å; L119-I141 HydrophobicContact CD2-CG2 4.27Å; F122-I141 HydrophobicContact CB-CD1 4.03Å; F122-I141 HydrophobicContact CB-CG1 4.2Å; F122-I141 HydrophobicContact CD2-CG1 4.36Å; F123-I141 HydrophobicContact CD1-CD1 4.37Å; F123-I141 HydrophobicContact CE1-CD1 4.15Å; F123-I141 HydrophobicContact CE1-CG2 4.3Å; F123-I141 HydrophobicContact CE2-CD1 4.43Å; F123-I141 HydrophobicContact CE2-CG2 4.05Å; F123-I141 HydrophobicContact CZ-CD1 4.17Å; F123-I141 HydrophobicContact CZ-CG2 3.54Å; L137-I141 HydrophobicContact CB-CD1 4.44Å; L137-I141 WeakPolarHBondContact O-CB 3.38Å; L137-I141 WeakPolarHBondContact O-CD1 3.47Å; L137-I141 WeakPolarHBondContact O-CG1 3.42Å; L137-I141 PolarHBondContact O-N 3.44Å; Y138-I141 PolarHBondContact O-N 2.86Å; I141-T143 VanDerWaalsContact C-N 3.3Å; I141-T143 PolarHBondContact O-N 3.19Å; I141-D144 PolarHBondContact O-N 3.02Å; I141-I145 HydrophobicContact CG2-CD1 3.78Å; I141-I145 WeakPolarHBondContact O-CB 3.48Å; I141-I145 VanDerWaalsContact O-CG1 3.28Å; I141-I145 WeakPolarHBondContact O-CG1 3.41Å; I141-I145 PolarHBondContact O-N 2.93Å; I141-V183 HydrophobicContact CG2-CG1 3.82Å
142V91.8Very high89.5Confident3 Ų358.8 Ų58.82%0.01830%0.297CS..Hα-helixtrans-63-39.3179.5174.20000111.3Y138 H140 K146 V183 E186 L187Y138-V142 HydrophobicContact CE1-CG2 4.35Å; Y138-V142 WeakPolarHBondContact O-CG2 3.4Å; Y138-V142 PolarHBondContact O-N 2.86Å; Y138-V142 VanDerWaalsContact O-N 3.15Å; H140-V142 VanDerWaalsContact C-N 3.34Å; H140-V142 PolarHBondContact O-N 3.1Å; V142-K146 VanDerWaalsContact O-CB 3.31Å; V142-K146 WeakPolarHBondContact O-CB 3.48Å; V142-K146 PolarHBondContact O-N 3.36Å; V142-K146 VanDerWaalsContact O-N 3.08Å; V142-V183 HydrophobicContact CG2-CG1 4.21Å; V142-V183 HydrophobicContact CG2-CG2 4.42Å; V142-E186 HydrophobicContact CG1-CG 3.89Å; V142-E186 HydrophobicContact CG2-CB 4.48Å; V142-E186 HydrophobicContact CG2-CG 4.17Å; V142-L187 HydrophobicContact CG1-CD2 4.4Å
143T91.4Very high89.2Confident57 Ų5757.9 Ų57.935%0.3529%0.288SS..Hα-helixtrans-72.8-41.8-178.9-54.70000112.1T139 H140 I141 K146 N147T139-T143 WeakPolarHBondContact O-CB 3.5Å; T139-T143 PolarHBondContact O-N 2.95Å; T139-T143 VanDerWaalsContact O-N 3.11Å; T139-T143 PolarHBondContact O-OG1 3.23Å; H140-T143 CarbonylContact O-C 3.53Å; H140-T143 PolarHBondContact O-N 3.26Å; H140-T143 VanDerWaalsContact O-N 3.09Å; I141-T143 VanDerWaalsContact C-N 3.3Å; I141-T143 PolarHBondContact O-N 3.19Å; T143-K146 WeakPolarHBondContact O-CB 3.47Å; T143-K146 PolarHBondContact O-N 2.91Å; T143-N147 WeakPolarHBondContact O-CB 3.43Å; T143-N147 PolarHBondContact O-N 3.09Å; T143-N147 PolarHBondContact O-ND2 3.25Å
144D89.8Confident88.9Confident8 Ų860.1 Ų60.14%0.04330%0.3CS..Hα-helixtrans-66.1-45178.6-168.735.2000110.6R108 H140 I141 K146 N147 I148R108-D144 IonicContact NE-OD1 2.99Å; R108-D144 IonicContact NE-OD2 2.82Å; R108-D144 PolarHBondContact NE-OD2 2.96Å; R108-D144 IonicContact NH2-OD1 3.34Å; H140-D144 WeakPolarHBondContact O-CB 3.25Å; H140-D144 PolarHBondContact O-N 3.36Å; I141-D144 PolarHBondContact O-N 3.02Å; D144-K146 VanDerWaalsContact C-N 3.29Å; D144-K146 PolarHBondContact O-N 3.24Å; D144-N147 PolarHBondContact O-N 3.01Å; D144-N147 VanDerWaalsContact O-N 3.11Å; D144-I148 VanDerWaalsContact O-CG1 3.22Å; D144-I148 WeakPolarHBondContact O-CG1 3.21Å; D144-I148 PolarHBondContact O-N 3.01Å
145I89.4Confident88.7Confident0 Ų063.1 Ų63.10%032%0.319CS..Hα-helixtrans-61.7-38.8174.9-65.5169.2000111L119 I141 N149 L161 L187 I192 W193L119-I145 HydrophobicContact CD1-CD1 4.48Å; L119-I145 HydrophobicContact CD1-CG1 4.03Å; I141-I145 HydrophobicContact CG2-CD1 3.78Å; I141-I145 WeakPolarHBondContact O-CB 3.48Å; I141-I145 VanDerWaalsContact O-CG1 3.28Å; I141-I145 WeakPolarHBondContact O-CG1 3.41Å; I141-I145 PolarHBondContact O-N 2.93Å; I145-N149 PolarHBondContact O-N 3.43Å; I145-N149 PolarHBondContact O-ND2 3.17Å; I145-L161 HydrophobicContact CD1-CD1 4.09Å; I145-L161 HydrophobicContact CG1-CD1 4.1Å; I145-L187 HydrophobicContact CB-CD2 4.02Å; I145-L187 HydrophobicContact CD1-CD1 3.73Å; I145-L187 HydrophobicContact CG2-CD1 4.12Å; I145-L187 HydrophobicContact CG2-CD2 3.68Å; I145-I192 HydrophobicContact CG2-CG2 4.27Å; I145-W193 HydrophobicContact CD1-CH2 4.27Å; I145-W193 HydrophobicContact CD1-CZ2 4.09Å; I145-W193 HydrophobicContact CG2-CZ2 4.19Å
146K89.7Confident88.5Confident110 Ų11064.5 Ų64.548%0.47833%0.325SS..Hα-helixtrans-61.9-45.6173.3-178.2-178.1177-177.40111.6V142 T143 D144 N149 A150 I192V142-K146 VanDerWaalsContact O-CB 3.31Å; V142-K146 WeakPolarHBondContact O-CB 3.48Å; V142-K146 PolarHBondContact O-N 3.36Å; V142-K146 VanDerWaalsContact O-N 3.08Å; T143-K146 WeakPolarHBondContact O-CB 3.47Å; T143-K146 PolarHBondContact O-N 2.91Å; D144-K146 VanDerWaalsContact C-N 3.29Å; D144-K146 PolarHBondContact O-N 3.24Å; K146-N149 CarbonylContact O-C 3.6Å; K146-N149 PolarHBondContact O-N 2.85Å; K146-A150 PolarHBondContact O-N 3.26Å; K146-I192 HydrophobicContact CB-CD1 3.79Å; K146-I192 HydrophobicContact CG-CD1 4.06Å
147N89Confident88.3Confident98 Ų9862.9 Ų62.952%0.52432%0.315SS..Hα-helixtrans-67.2-38.9-179.1-69.7-16.5000112.1T143 D144 N149 A150T143-N147 WeakPolarHBondContact O-CB 3.43Å; T143-N147 PolarHBondContact O-N 3.09Å; T143-N147 PolarHBondContact O-ND2 3.25Å; D144-N147 PolarHBondContact O-N 3.01Å; D144-N147 VanDerWaalsContact O-N 3.11Å; N147-N149 PolarHBondContact O-N 2.98Å; N147-A150 WeakPolarHBondContact O-CB 3.18Å; N147-A150 PolarHBondContact O-N 2.83Å
148I87.6Confident88Confident27 Ų2763 Ų6314%0.13832%0.316CS..Hα-helixtrans-59.6-38.8174.5-69.1163.6000110.8P115 D144 N154P115-I148 HydrophobicContact CB-CD1 3.66Å; P115-I148 HydrophobicContact CG-CD1 4.18Å; D144-I148 VanDerWaalsContact O-CG1 3.22Å; D144-I148 WeakPolarHBondContact O-CG1 3.21Å; D144-I148 PolarHBondContact O-N 3.01Å; I148-N154 HydrophobicContact CG2-CB 3.93Å
149N87.1Confident87.8Confident21 Ų2163.6 Ų63.611%0.11233%0.325CS..THydrogen-bonded Turntrans-93.87.6-178.8-67.9-72.6000113.9I145 K146 N147 K151 H152 K153 N154 N158 I192I145-N149 PolarHBondContact O-N 3.43Å; I145-N149 PolarHBondContact O-ND2 3.17Å; K146-N149 CarbonylContact O-C 3.6Å; K146-N149 PolarHBondContact O-N 2.85Å; N147-N149 PolarHBondContact O-N 2.98Å; N149-K151 PolarHBondContact O-N 3.13Å; N149-H152 WeakPolarHBondContact CA-O 3.45Å; N149-K153 WeakPolarHBondContact OD1-CA 3.22Å; N149-N154 PolarHBondContact OD1-N 2.87Å; N149-N158 PolarHBondContact ND2-OD1 3.48Å; N149-N158 PolarHBondContact OD1-ND2 3.44Å; N149-I192 HydrophobicContact CB-CG2 3.88Å
150A86.6Confident87.6Confident75 Ų7562.9 Ų62.962%0.6232%0.32SS*.SBendtrans-70.4-33.1-17300000113.8K146 N147K146-A150 PolarHBondContact O-N 3.26Å; N147-A150 WeakPolarHBondContact O-CB 3.18Å; N147-A150 PolarHBondContact O-N 2.83Å
151K83.7Confident87.4Confident205 Ų20561.8 Ų61.889%0.89132%0.315SS*.SBendtrans-91.3-51.6178.1-66.8-174.6179.3-176.70111.9N149N149-K151 PolarHBondContact O-N 3.13Å
152H82.2Confident87.1Confident125 Ų12562 Ų6258%0.57932%0.316SS*.SBendtrans-147154.617762.2-87.5000108.7N149 N154N149-H152 WeakPolarHBondContact CA-O 3.45Å; H152-N154 PolarHBondContact O-N 3.12Å
153K81.9Confident86.9Confident97 Ų9765.8 Ų65.842%0.42234%0.336SS..  trans-68.4115.5175.2-70-175.7173-174.70109.9N149 N155 N194N149-K153 WeakPolarHBondContact OD1-CA 3.22Å; K153-N155 PolarHBondContact O-N 3.23Å; K153-N155 VanDerWaalsContact O-N 3.17Å; K153-N194 PolarHBondContact NZ-OD1 2.94Å
154N84.8Confident86.6Confident49 Ų4964.9 Ų64.926%0.26233%0.327SS..  trans-87.384.1177.3-169.6-21.4000110.1I148 N149 H152 K156 V157 N158I148-N154 HydrophobicContact CG2-CB 3.93Å; N149-N154 PolarHBondContact OD1-N 2.87Å; H152-N154 PolarHBondContact O-N 3.12Å; N154-K156 PolarHBondContact O-N 3.29Å; N154-K156 PolarHBondContact OD1-N 2.76Å; N154-V157 PolarHBondContact O-N 3.33Å; N154-V157 PolarHBondContact OD1-N 2.8Å; N154-N158 VanDerWaalsContact O-CG 3.25Å; N154-N158 PolarHBondContact O-N 2.76Å; N154-N158 PolarHBondContact O-ND2 2.98Å
155N85.3Confident86.4Confident102 Ų10264.5 Ų64.555%0.54533%0.325SS..Hα-helixtrans-60-31.8-175-68.7-10.2000113.3K153 N158 V159K153-N155 PolarHBondContact O-N 3.23Å; K153-N155 VanDerWaalsContact O-N 3.17Å; N155-N158 PolarHBondContact O-N 3.21Å; N155-V159 WeakPolarHBondContact O-CB 3.34Å; N155-V159 WeakPolarHBondContact O-CG2 3.26Å; N155-V159 PolarHBondContact O-N 2.78Å
156K87.1Confident86Confident177 Ų17768.8 Ų68.877%0.7734%0.342SS*.Hα-helixtrans-61.7-50.3178.7-67.3-178.6179.5179.70111.3N154 V160N154-K156 PolarHBondContact O-N 3.29Å; N154-K156 PolarHBondContact OD1-N 2.76Å; K156-V160 WeakPolarHBondContact O-CG2 3.31Å; K156-V160 PolarHBondContact O-N 3.1Å
157V86.1Confident85.9Confident14 Ų1467.9 Ų67.99%0.08535%0.346CS..Hα-helixtrans-67-43178.1176.70000110.5N154 V159 V160 L161N154-V157 PolarHBondContact O-N 3.33Å; N154-V157 PolarHBondContact OD1-N 2.8Å; V157-V159 PolarHBondContact O-N 3.17Å; V157-V160 PolarHBondContact O-N 3.09Å; V157-L161 HydrophobicContact CG1-CD1 3.71Å; V157-L161 HydrophobicContact CG1-CG 4.18Å; V157-L161 WeakPolarHBondContact O-CB 3.5Å; V157-L161 VanDerWaalsContact O-CG 3.3Å; V157-L161 WeakPolarHBondContact O-CG 3.32Å; V157-L161 PolarHBondContact O-N 3.3Å
158N87.1Confident85.7Confident4 Ų463.5 Ų63.52%0.02132%0.323CS..Hα-helixtrans-60.8-43.1179.7-66.1-26.4000111.9N149 N154 N155 L161 Q162 W193N149-N158 PolarHBondContact ND2-OD1 3.48Å; N149-N158 PolarHBondContact OD1-ND2 3.44Å; N154-N158 VanDerWaalsContact O-CG 3.25Å; N154-N158 PolarHBondContact O-N 2.76Å; N154-N158 PolarHBondContact O-ND2 2.98Å; N155-N158 PolarHBondContact O-N 3.21Å; N158-L161 PolarHBondContact O-N 2.97Å; N158-Q162 VanDerWaalsContact O-CB 3.28Å; N158-Q162 WeakPolarHBondContact O-CB 3.46Å; N158-Q162 WeakPolarHBondContact O-CG 3.35Å; N158-Q162 PolarHBondContact O-N 3.36Å; N158-W193 PolarHBondContact OD1-NE1 3.37Å; N158-W193 VanDerWaalsContact OD1-NE1 3.13Å
159V87.8Confident85.5Confident64 Ų6463.4 Ų63.439%0.38832%0.322SS..Hα-helixtrans-64.5-42.7179168.90000111.8N155 V157 Q162 N163N155-V159 WeakPolarHBondContact O-CB 3.34Å; N155-V159 WeakPolarHBondContact O-CG2 3.26Å; N155-V159 PolarHBondContact O-N 2.78Å; V157-V159 PolarHBondContact O-N 3.17Å; V159-Q162 PolarHBondContact O-N 2.83Å; V159-N163 WeakPolarHBondContact O-CB 3.1Å; V159-N163 VanDerWaalsContact O-CG 3.24Å; V159-N163 PolarHBondContact O-N 3.26Å; V159-N163 PolarHBondContact O-ND2 3.48Å
160V88.6Confident85.3Confident61 Ų6170.6 Ų70.637%0.3735%0.348SS..Hα-helixtrans-62-48176.6173.20000110.4K156 V157 N163 F164K156-V160 WeakPolarHBondContact O-CG2 3.31Å; K156-V160 PolarHBondContact O-N 3.1Å; V157-V160 PolarHBondContact O-N 3.09Å; V160-N163 PolarHBondContact O-N 2.96Å; V160-F164 PolarHBondContact O-N 3.21Å
161L86Confident85Confident0 Ų068.7 Ų68.70%033%0.327CS..Hα-helixtrans-64.9-41.3178.8-67.5174.7000112.5L119 I145 V157 N158 F164 M165 W193L119-L161 HydrophobicContact CB-CD2 3.71Å; L119-L161 HydrophobicContact CD1-CD1 3.6Å; L119-L161 HydrophobicContact CD1-CD2 3.82Å; L119-L161 HydrophobicContact CD1-CG 4.34Å; L119-L161 HydrophobicContact CG-CD2 4.43Å; I145-L161 HydrophobicContact CD1-CD1 4.09Å; I145-L161 HydrophobicContact CG1-CD1 4.1Å; V157-L161 HydrophobicContact CG1-CD1 3.71Å; V157-L161 HydrophobicContact CG1-CG 4.18Å; V157-L161 WeakPolarHBondContact O-CB 3.5Å; V157-L161 VanDerWaalsContact O-CG 3.3Å; V157-L161 WeakPolarHBondContact O-CG 3.32Å; V157-L161 PolarHBondContact O-N 3.3Å; N158-L161 PolarHBondContact O-N 2.97Å; L161-F164 PolarHBondContact O-N 3.45Å; L161-M165 WeakPolarHBondContact O-CG 3.37Å; L161-M165 PolarHBondContact O-N 3.11Å; L161-W193 HydrophobicContact CB-CH2 4.11Å; L161-W193 HydrophobicContact CB-CZ2 4.05Å; L161-W193 HydrophobicContact CD1-CZ2 4.24Å
162Q86Confident84.9Confident6 Ų664.6 Ų64.63%0.02833%0.325CS..Hα-helixtrans-62.3-42.3176.3-75.9168.6-2.900111.6N158 V159 F164 M165 Y166 D195 T198N158-Q162 VanDerWaalsContact O-CB 3.28Å; N158-Q162 WeakPolarHBondContact O-CB 3.46Å; N158-Q162 WeakPolarHBondContact O-CG 3.35Å; N158-Q162 PolarHBondContact O-N 3.36Å; V159-Q162 PolarHBondContact O-N 2.83Å; Q162-F164 VanDerWaalsContact C-N 3.32Å; Q162-M165 PolarHBondContact O-N 3.03Å; Q162-Y166 PolarHBondContact O-N 2.99Å; Q162-D195 PolarHBondContact NE2-OD2 3.3Å; Q162-T198 PolarHBondContact NE2-OG1 3.44Å
163N88.1Confident85.1Confident82 Ų8260.5 Ų60.544%0.43931%0.307SS..Hα-helixtrans-62.7-41.2174.5-73.2-16.6000111.3V159 V160 Y166 T167 K197V159-N163 WeakPolarHBondContact O-CB 3.1Å; V159-N163 VanDerWaalsContact O-CG 3.24Å; V159-N163 PolarHBondContact O-N 3.26Å; V159-N163 PolarHBondContact O-ND2 3.48Å; V160-N163 PolarHBondContact O-N 2.96Å; N163-Y166 WeakPolarHBondContact O-CB 3.4Å; N163-Y166 PolarHBondContact O-N 3.29Å; N163-T167 PolarHBondContact O-N 3.14Å; N163-K197 WeakPolarHBondContact OD1-CE 3.42Å; N163-K197 PolarHBondContact OD1-NZ 3.48Å
164F85.6Confident85.3Confident37 Ų3757.7 Ų57.716%0.16230%0.302CS..Hα-helixtrans-65.6-40.5176.5-173.6-91.9000112.2E120 F123 E124 V160 L161 Q162 Y166 T167 M168E120-F164 HydrophobicContact CB-CE2 4.17Å; E120-F164 HydrophobicContact CB-CZ 4.28Å; E120-F164 HydrophobicContact CG-CD2 3.82Å; E120-F164 HydrophobicContact CG-CE2 3.95Å; E120-F164 HydrophobicContact CG-CG 4.13Å; E120-F164 HydrophobicContact CG-CZ 4.38Å; F123-F164 HydrophobicContact CB-CD1 4.32Å; F123-F164 HydrophobicContact CB-CE1 3.47Å; F123-F164 VanDerWaalsContact CB-CE1 3.47Å; F123-F164 HydrophobicContact CB-CZ 4.28Å; F123-F164 HydrophobicContact CD2-CD1 4.24Å; F123-F164 HydrophobicContact CD2-CE1 4.15Å; F123-F164 HydrophobicContact CG-CD1 4.44Å; F123-F164 HydrophobicContact CG-CE1 4.03Å; E124-F164 HydrophobicContact CG-CZ 4.4Å; V160-F164 PolarHBondContact O-N 3.21Å; L161-F164 PolarHBondContact O-N 3.45Å; Q162-F164 VanDerWaalsContact C-N 3.32Å; F164-Y166 VanDerWaalsContact C-N 3.25Å; F164-Y166 PolarHBondContact O-N 3.32Å; F164-T167 WeakPolarHBondContact O-CB 3.42Å; F164-T167 PolarHBondContact O-N 3.28Å; F164-T167 VanDerWaalsContact O-N 3.13Å; F164-M168 HydrophobicContact CD1-CG 3.79Å; F164-M168 HydrophobicContact CE1-CG 3.32Å; F164-M168 HydrophobicContact CE1-SD 3.82Å; F164-M168 HydrophobicContact CZ-CG 3.93Å; F164-M168 HydrophobicContact CZ-SD 3.89Å; F164-M168 PolarHBondContact O-N 2.97Å
165M83.9Confident85.4Confident0 Ų058 Ų580%031%0.306CS..Hα-helixtrans-57.9-38.9175.6-72.5-49.1104.800112.1F123 L161 Q162 T167 M168 L169 M184 W193F123-M165 HydrophobicContact CD1-CE 3.7Å; F123-M165 HydrophobicContact CD1-SD 4.09Å; F123-M165 HydrophobicContact CD2-CE 3.39Å; F123-M165 HydrophobicContact CE1-CE 3.4Å; F123-M165 HydrophobicContact CE1-SD 3.53Å; F123-M165 VanDerWaalsContact CE1-SD 3.53Å; F123-M165 HydrophobicContact CE2-CE 3.1Å; F123-M165 HydrophobicContact CE2-SD 4.27Å; F123-M165 HydrophobicContact CG-CE 3.72Å; F123-M165 HydrophobicContact CZ-CE 3.09Å; F123-M165 HydrophobicContact CZ-SD 3.65Å; L161-M165 WeakPolarHBondContact O-CG 3.37Å; L161-M165 PolarHBondContact O-N 3.11Å; Q162-M165 PolarHBondContact O-N 3.03Å; M165-T167 VanDerWaalsContact C-N 3.31Å; M165-T167 PolarHBondContact O-N 3.24Å; M165-M168 PolarHBondContact O-N 3.48Å; M165-M168 VanDerWaalsContact O-N 3.16Å; M165-L169 WeakPolarHBondContact O-CG 3.48Å; M165-L169 PolarHBondContact O-N 3.05Å; M165-M184 HydrophobicContact CB-CG 4.47Å; M165-M184 HydrophobicContact CB-SD 3.77Å; M165-M184 HydrophobicContact CG-CG 4Å; M165-M184 HydrophobicContact CG-SD 3.96Å; M165-M184 HydrophobicContact SD-CG 4.43Å; M165-W193 HydrophobicContact CG-CH2 4.4Å; M165-W193 HydrophobicContact CG-CZ3 4.26Å
166Y83.1Confident85.5Confident90 Ų9053.2 Ų53.235%0.35328%0.28SS..Hα-helixtrans-61.2-41177.9-179.7-111000112.3Q162 N163 F164 R170 V201 T204Q162-Y166 PolarHBondContact O-N 2.99Å; N163-Y166 WeakPolarHBondContact O-CB 3.4Å; N163-Y166 PolarHBondContact O-N 3.29Å; F164-Y166 VanDerWaalsContact C-N 3.25Å; F164-Y166 PolarHBondContact O-N 3.32Å; Y166-R170 VanDerWaalsContact CZ-NH2 3.34Å; Y166-R170 PolarHBondContact OH-NH2 3.27Å; Y166-V201 HydrophobicContact CD2-CG1 4.42Å; Y166-V201 HydrophobicContact CD2-CG2 4.24Å; Y166-T204 HydrophobicContact CE2-CG2 4.39Å
167T86.6Confident85.7Confident92 Ų9244.8 Ų44.856%0.56424%0.244SC*.Hα-helixtrans-65-41.7173.3-53.40000111.2N163 F164 M165 L169 R170 D171N163-T167 PolarHBondContact O-N 3.14Å; F164-T167 WeakPolarHBondContact O-CB 3.42Å; F164-T167 PolarHBondContact O-N 3.28Å; F164-T167 VanDerWaalsContact O-N 3.13Å; M165-T167 VanDerWaalsContact C-N 3.31Å; M165-T167 PolarHBondContact O-N 3.24Å; T167-L169 PolarHBondContact O-N 3.28Å; T167-R170 PolarHBondContact O-N 3.33Å; T167-D171 PolarHBondContact O-N 3.28Å
168M84.1Confident85.9Confident5 Ų547.6 Ų47.63%0.02526%0.255CS..Hα-helixtrans-67.8-33.4-179.5-71.9-60.8-64.500114.1F123 F164 M165 R170 D171 A176F123-M168 HydrophobicContact CB-CE 4.36Å; F123-M168 WeakPolarHBondContact O-CE 3.25Å; F164-M168 HydrophobicContact CD1-CG 3.79Å; F164-M168 HydrophobicContact CE1-CG 3.32Å; F164-M168 HydrophobicContact CE1-SD 3.82Å; F164-M168 HydrophobicContact CZ-CG 3.93Å; F164-M168 HydrophobicContact CZ-SD 3.89Å; F164-M168 PolarHBondContact O-N 2.97Å; M165-M168 PolarHBondContact O-N 3.48Å; M165-M168 VanDerWaalsContact O-N 3.16Å; M168-R170 PolarHBondContact O-N 2.98Å; M168-D171 WeakPolarHBondContact O-CB 3.18Å; M168-D171 PolarHBondContact O-N 3.16Å; M168-A176 HydrophobicContact CE-CB 4.24Å
169L83.9Confident86Confident25 Ų2548.8 Ų48.813%0.13126%0.26CS..Hα-helixtrans-69-23.7176-74.9173.9000113M165 T167 D171 L181 M184 V201M165-L169 WeakPolarHBondContact O-CG 3.48Å; M165-L169 PolarHBondContact O-N 3.05Å; T167-L169 PolarHBondContact O-N 3.28Å; L169-D171 VanDerWaalsContact C-N 3.32Å; L169-L181 HydrophobicContact CD2-CB 3.87Å; L169-L181 HydrophobicContact CD2-CD1 4.49Å; L169-M184 HydrophobicContact CD1-SD 4.04Å; L169-V201 HydrophobicContact CD1-CG1 3.4Å; L169-V201 VanDerWaalsContact CD1-CG1 3.4Å
170R82.8Confident86.1Confident172 Ų17245.8 Ų45.865%0.64924%0.242SC*.THydrogen-bonded Turntrans-87.2-2.3174.9-66.7174.7168.5-147.3-13.1113Y166 T167 M168Y166-R170 VanDerWaalsContact CZ-NH2 3.34Å; Y166-R170 PolarHBondContact OH-NH2 3.27Å; T167-R170 PolarHBondContact O-N 3.33Å; M168-R170 PolarHBondContact O-N 2.98Å
171D81.3Confident86.2Confident35 Ų3542.9 Ų42.919%0.18722%0.224CC..SBendtrans-67.3148.5-178.9-163.9-3.2000111.6R127 T167 M168 L169 N173R127-D171 IonicContact CZ-OD2 2.62Å; R127-D171 IonicContact NE-OD2 3.27Å; R127-D171 PolarHBondContact NE-OD2 3.05Å; R127-D171 IonicContact NH2-OD1 2.68Å; R127-D171 IonicContact NH2-OD2 3.27Å; R127-D171 PolarHBondContact NH2-OD2 3.18Å; T167-D171 PolarHBondContact O-N 3.28Å; M168-D171 WeakPolarHBondContact O-CB 3.18Å; M168-D171 PolarHBondContact O-N 3.16Å; L169-D171 VanDerWaalsContact C-N 3.32Å; D171-N173 PolarHBondContact O-N 3.43Å
172S80Confident86.5Confident120 Ų12044.6 Ų44.684%0.83923%0.234SC*.SBendtrans-60.5-30.2176.960.50000113.2A174S172-A174 PolarHBondContact O-N 3.35Å
173N86.4Confident86.7Confident38 Ų3844.3 Ų44.320%0.20323%0.233CC..  trans-82101.7-177.1-170.5-26.1000111.7R127 D171 T175 A176 A177R127-N173 WeakPolarHBondContact CA-ND2 3.42Å; R127-N173 HydrophobicContact CG-CB 4.49Å; R127-N173 PolarHBondContact O-ND2 2.93Å; D171-N173 PolarHBondContact O-N 3.43Å; N173-T175 PolarHBondContact O-N 2.88Å; N173-T175 VanDerWaalsContact O-N 3.11Å; N173-T175 PolarHBondContact OD1-N 2.71Å; N173-T175 PolarHBondContact OD1-OG1 2.96Å; N173-A176 HydrophobicContact CB-CB 4.2Å; N173-A176 PolarHBondContact O-N 2.83Å; N173-A176 PolarHBondContact OD1-N 3.36Å; N173-A177 PolarHBondContact O-N 2.84Å
174A87.4Confident86.8Confident38 Ų3840.4 Ų40.431%0.31421%0.212SC..Hα-helixtrans-55.7-30.7179.300000114.4S172 K178 V210S172-A174 PolarHBondContact O-N 3.35Å; A174-K178 VanDerWaalsContact O-CB 3.25Å; A174-K178 WeakPolarHBondContact O-CB 3.31Å; A174-K178 PolarHBondContact O-N 3.19Å; A174-V210 HydrophobicContact CB-CG1 4.11Å; A174-V210 HydrophobicContact CB-CG2 3.98Å
175T87.2Confident87Confident57 Ų5739.1 Ų39.135%0.3521%0.206SC..Hα-helixtrans-74.4-42.2-179.662.70000112.1R134 N173 K178 M179R134-T175 PolarHBondContact NH1-OG1 3.35Å; N173-T175 PolarHBondContact O-N 2.88Å; N173-T175 VanDerWaalsContact O-N 3.11Å; N173-T175 PolarHBondContact OD1-N 2.71Å; N173-T175 PolarHBondContact OD1-OG1 2.96Å; T175-K178 PolarHBondContact O-N 2.98Å; T175-M179 WeakPolarHBondContact O-CG 3.35Å; T175-M179 PolarHBondContact O-N 3.44Å
176A86.9Confident87.2Confident0 Ų041.3 Ų41.30%022%0.217CC..Hα-helixtrans-66.9-44.1176.600000111L126 R127 M168 N173 K178 M179 S180L126-A176 HydrophobicContact CB-CB 4.18Å; R127-A176 HydrophobicContact CG-CB 4.06Å; M168-A176 HydrophobicContact CE-CB 4.24Å; N173-A176 HydrophobicContact CB-CB 4.2Å; N173-A176 PolarHBondContact O-N 2.83Å; N173-A176 PolarHBondContact OD1-N 3.36Å; A176-K178 PolarHBondContact O-N 2.82Å; A176-M179 PolarHBondContact O-N 3.45Å; A176-S180 WeakPolarHBondContact O-CB 3.26Å; A176-S180 PolarHBondContact O-N 3.44Å; A176-S180 PolarHBondContact O-OG 2.95Å
177A90.6Very high87.5Confident1 Ų137 Ų371%0.00820%0.2CC..Hα-helixtrans-60.7-44.3175.900000111.9N173 M179 S180 L181 I213N173-A177 PolarHBondContact O-N 2.84Å; A177-M179 PolarHBondContact O-N 3.45Å; A177-S180 PolarHBondContact O-N 3.07Å; A177-L181 WeakPolarHBondContact O-CB 3.44Å; A177-L181 PolarHBondContact O-N 3.29Å; A177-I213 HydrophobicContact CB-CD1 3.73Å
178K90.4Very high87.5Confident73 Ų7334 Ų3432%0.31718%0.178SC..Hα-helixtrans-62.3-44.6176.9-171.3-92.2171-174.70112.4A174 T175 A176 L181 D182 I213A174-K178 VanDerWaalsContact O-CB 3.25Å; A174-K178 WeakPolarHBondContact O-CB 3.31Å; A174-K178 PolarHBondContact O-N 3.19Å; T175-K178 PolarHBondContact O-N 2.98Å; A176-K178 PolarHBondContact O-N 2.82Å; K178-L181 WeakPolarHBondContact O-CB 3.38Å; K178-L181 PolarHBondContact O-N 3.19Å; K178-D182 WeakPolarHBondContact CD-OD2 3.26Å; K178-D182 VanDerWaalsContact CE-OD1 3.24Å; K178-D182 WeakPolarHBondContact CE-OD1 3.39Å; K178-D182 WeakPolarHBondContact CE-OD2 3.49Å; K178-D182 VanDerWaalsContact NZ-CG 3.26Å; K178-D182 IonicContact NZ-OD1 2.83Å; K178-D182 PolarHBondContact NZ-OD1 3.07Å; K178-D182 VanDerWaalsContact NZ-OD1 3.11Å; K178-D182 IonicContact NZ-OD2 3.75Å; K178-D182 PolarHBondContact NZ-OD2 2.99Å; K178-D182 VanDerWaalsContact O-CG 3.29Å; K178-D182 PolarHBondContact O-N 3.18Å; K178-I213 HydrophobicContact CB-CG1 3.91Å; K178-I213 HydrophobicContact CG-CG1 4.4Å
179M89.4Confident87.6Confident29 Ų2940 Ų4014%0.14320%0.201CC..Hα-helixtrans-68.6-37.1178.9-72.6-164.665.700112.4L126 R134 Y138 T175 A176 A177 L181 D182 V183L126-M179 HydrophobicContact CD1-CB 4.12Å; L126-M179 HydrophobicContact CD2-CE 4.09Å; L126-M179 HydrophobicContact CD2-SD 4.36Å; R134-M179 HydrophobicContact CB-CE 3.83Å; R134-M179 HydrophobicContact CB-SD 3.71Å; R134-M179 HydrophobicContact CG-SD 4.02Å; R134-M179 WeakPolarHBondContact O-CE 3.49Å; Y138-M179 HydrophobicContact CD2-CE 4.22Å; Y138-M179 HydrophobicContact CG-CE 4.4Å; T175-M179 WeakPolarHBondContact O-CG 3.35Å; T175-M179 PolarHBondContact O-N 3.44Å; A176-M179 PolarHBondContact O-N 3.45Å; A177-M179 PolarHBondContact O-N 3.45Å; M179-L181 VanDerWaalsContact C-N 3.31Å; M179-L181 PolarHBondContact O-N 2.97Å; M179-D182 PolarHBondContact O-N 3.2Å; M179-V183 WeakPolarHBondContact O-CG2 3.4Å; M179-V183 PolarHBondContact O-N 2.98Å
180S90.4Very high87.6Confident0 Ų043.9 Ų43.90%021%0.213CC..Hα-helixtrans-61.8-42.6174-55.30000110.6A176 A177 V183 M184A176-S180 WeakPolarHBondContact O-CB 3.26Å; A176-S180 PolarHBondContact O-N 3.44Å; A176-S180 PolarHBondContact O-OG 2.95Å; A177-S180 PolarHBondContact O-N 3.07Å; S180-V183 PolarHBondContact O-N 3.13Å; S180-M184 WeakPolarHBondContact O-CG 3.45Å; S180-M184 PolarHBondContact O-N 2.99Å; S180-M184 VanDerWaalsContact O-N 3.08Å
181L91.3Very high87.7Confident0 Ų040.7 Ų40.70%021%0.209CC..Hα-helixtrans-60.2-44.7172.5-178.261.8000112.3L169 A177 K178 M179 V183 M184 I185 I202 A205 I213 A216 A217L169-L181 HydrophobicContact CD2-CB 3.87Å; L169-L181 HydrophobicContact CD2-CD1 4.49Å; A177-L181 WeakPolarHBondContact O-CB 3.44Å; A177-L181 PolarHBondContact O-N 3.29Å; K178-L181 WeakPolarHBondContact O-CB 3.38Å; K178-L181 PolarHBondContact O-N 3.19Å; M179-L181 VanDerWaalsContact C-N 3.31Å; M179-L181 PolarHBondContact O-N 2.97Å; L181-V183 VanDerWaalsContact C-N 3.3Å; L181-V183 PolarHBondContact O-N 2.87Å; L181-M184 WeakPolarHBondContact O-CB 3.24Å; L181-M184 PolarHBondContact O-N 2.74Å; L181-I185 HydrophobicContact CD1-CD1 4.21Å; L181-I185 HydrophobicContact CD1-CG1 4.42Å; L181-I185 HydrophobicContact CG-CD1 3.89Å; L181-I185 WeakPolarHBondContact O-CG1 3.49Å; L181-I185 PolarHBondContact O-N 2.96Å; L181-I202 HydrophobicContact CD1-CB 4.47Å; L181-I202 HydrophobicContact CD1-CG1 4.06Å; L181-I202 HydrophobicContact CD1-CG2 4.08Å; L181-A205 HydrophobicContact CD1-CB 3.99Å; L181-A205 HydrophobicContact CD2-CB 3.96Å; L181-I213 HydrophobicContact CD2-CG2 3.86Å; L181-A216 HydrophobicContact CD2-CB 3.78Å; L181-A217 HydrophobicContact CD2-CB 4.16Å
182D91Very high87.8Confident36 Ų3639.8 Ų39.819%0.19320%0.204CC..Hα-helixtrans-60-40.8177-63.9-36.3000111.7Y138 K178 M179 M184 I185 E186Y138-D182 HydrophobicContact CE2-CB 3.83Å; K178-D182 WeakPolarHBondContact CD-OD2 3.26Å; K178-D182 VanDerWaalsContact CE-OD1 3.24Å; K178-D182 WeakPolarHBondContact CE-OD1 3.39Å; K178-D182 WeakPolarHBondContact CE-OD2 3.49Å; K178-D182 VanDerWaalsContact NZ-CG 3.26Å; K178-D182 IonicContact NZ-OD1 2.83Å; K178-D182 PolarHBondContact NZ-OD1 3.07Å; K178-D182 VanDerWaalsContact NZ-OD1 3.11Å; K178-D182 IonicContact NZ-OD2 3.75Å; K178-D182 PolarHBondContact NZ-OD2 2.99Å; K178-D182 VanDerWaalsContact O-CG 3.29Å; K178-D182 PolarHBondContact O-N 3.18Å; M179-D182 PolarHBondContact O-N 3.2Å; D182-M184 VanDerWaalsContact C-N 3.34Å; D182-M184 PolarHBondContact O-N 2.93Å; D182-I185 PolarHBondContact O-N 3.07Å; D182-E186 WeakPolarHBondContact O-CB 3.2Å; D182-E186 PolarHBondContact O-N 2.79Å
183V91Very high88.1Confident1 Ų134.1 Ų34.11%0.00616%0.164CC..Hα-helixtrans-61.1-44.8176.5171.50000110.1F123 Y138 I141 V142 M179 S180 L181 I185 E186 L187F123-V183 HydrophobicContact CE1-CG1 4.4Å; F123-V183 HydrophobicContact CE1-CG2 4.47Å; F123-V183 HydrophobicContact CZ-CG1 4.22Å; Y138-V183 HydrophobicContact CD2-CG2 3.4Å; Y138-V183 HydrophobicContact CE2-CB 4.37Å; Y138-V183 HydrophobicContact CE2-CG2 3.5Å; Y138-V183 HydrophobicContact CG-CG2 4.43Å; I141-V183 HydrophobicContact CG2-CG1 3.82Å; V142-V183 HydrophobicContact CG2-CG1 4.21Å; V142-V183 HydrophobicContact CG2-CG2 4.42Å; M179-V183 WeakPolarHBondContact O-CG2 3.4Å; M179-V183 PolarHBondContact O-N 2.98Å; S180-V183 PolarHBondContact O-N 3.13Å; L181-V183 VanDerWaalsContact C-N 3.3Å; L181-V183 PolarHBondContact O-N 2.87Å; V183-I185 PolarHBondContact O-N 3.06Å; V183-E186 PolarHBondContact O-N 3.15Å; V183-L187 HydrophobicContact CG1-CD1 3.77Å; V183-L187 HydrophobicContact CG1-CG 4.32Å; V183-L187 WeakPolarHBondContact O-CB 3.5Å; V183-L187 VanDerWaalsContact O-CG 3.24Å; V183-L187 WeakPolarHBondContact O-CG 3.21Å; V183-L187 PolarHBondContact O-N 2.85Å
184M89.2Confident87.9Confident0 Ų035.5 Ų35.50%017%0.172CC..Hα-helixtrans-60.9-44.1176.7-66.5-174.969.100112.1M165 L169 S180 L181 D182 L187 Y188 W193 T198 V201 I202M165-M184 HydrophobicContact CB-CG 4.47Å; M165-M184 HydrophobicContact CB-SD 3.77Å; M165-M184 HydrophobicContact CG-CG 4Å; M165-M184 HydrophobicContact CG-SD 3.96Å; M165-M184 HydrophobicContact SD-CG 4.43Å; L169-M184 HydrophobicContact CD1-SD 4.04Å; S180-M184 WeakPolarHBondContact O-CG 3.45Å; S180-M184 PolarHBondContact O-N 2.99Å; S180-M184 VanDerWaalsContact O-N 3.08Å; L181-M184 WeakPolarHBondContact O-CB 3.24Å; L181-M184 PolarHBondContact O-N 2.74Å; D182-M184 VanDerWaalsContact C-N 3.34Å; D182-M184 PolarHBondContact O-N 2.93Å; M184-L187 PolarHBondContact O-N 2.85Å; M184-Y188 PolarHBondContact O-N 3.38Å; M184-W193 HydrophobicContact CG-CZ3 4.17Å; M184-T198 HydrophobicContact CE-CG2 3.79Å; M184-V201 HydrophobicContact CE-CB 3.83Å; M184-V201 HydrophobicContact CE-CG1 3.58Å; M184-V201 HydrophobicContact SD-CG1 3.93Å; M184-I202 HydrophobicContact CB-CD1 4.4Å; M184-I202 HydrophobicContact CB-CG1 4.49Å; M184-I202 HydrophobicContact CE-CG1 4.16Å
185I90Very high87.8Confident10 Ų1036.2 Ų36.25%0.05117%0.17CC..Hα-helixtrans-62.4-43.5178-69.2168000111L181 D182 V183 Y188 R189 I202 F220L181-I185 HydrophobicContact CD1-CD1 4.21Å; L181-I185 HydrophobicContact CD1-CG1 4.42Å; L181-I185 HydrophobicContact CG-CD1 3.89Å; L181-I185 WeakPolarHBondContact O-CG1 3.49Å; L181-I185 PolarHBondContact O-N 2.96Å; D182-I185 PolarHBondContact O-N 3.07Å; V183-I185 PolarHBondContact O-N 3.06Å; I185-Y188 PolarHBondContact O-N 3.34Å; I185-R189 WeakPolarHBondContact O-CG 3.3Å; I185-R189 PolarHBondContact O-N 3.35Å; I185-I202 HydrophobicContact CG1-CD1 4.48Å; I185-F220 HydrophobicContact CB-CD2 4.28Å; I185-F220 HydrophobicContact CD1-CB 3.93Å; I185-F220 HydrophobicContact CG1-CB 3.99Å; I185-F220 HydrophobicContact CG1-CD2 3.83Å; I185-F220 HydrophobicContact CG1-CG 4.08Å; I185-F220 HydrophobicContact CG2-CD2 4Å
186E89Confident87.8Confident46 Ų4635 Ų3522%0.21517%0.166CC..Hα-helixtrans-66.6-39.3178.9-174.367.6-160.700112.1Y138 V142 D182 V183 Y188 R189 R190Y138-E186 WeakPolarHBondContact OH-CB 3.08Å; V142-E186 HydrophobicContact CG1-CG 3.89Å; V142-E186 HydrophobicContact CG2-CB 4.48Å; V142-E186 HydrophobicContact CG2-CG 4.17Å; D182-E186 WeakPolarHBondContact O-CB 3.2Å; D182-E186 PolarHBondContact O-N 2.79Å; V183-E186 PolarHBondContact O-N 3.15Å; E186-Y188 VanDerWaalsContact C-N 3.34Å; E186-R189 PolarHBondContact O-N 3.44Å; E186-R190 VanDerWaalsContact O-CG 3.32Å; E186-R190 WeakPolarHBondContact O-CG 3.4Å; E186-R190 PolarHBondContact O-N 3.3Å; E186-R190 IonicContact OE1-CZ 2.79Å; E186-R190 VanDerWaalsContact OE1-CZ 3.27Å; E186-R190 IonicContact OE1-NE 3.96Å; E186-R190 PolarHBondContact OE1-NE 3.38Å; E186-R190 IonicContact OE1-NH2 3.57Å; E186-R190 PolarHBondContact OE1-NH2 3.39Å
187L88.4Confident87.8Confident0 Ų038.6 Ų38.60%018%0.182CC..Hα-helixtrans-68.4-33.5176.2-69.5171.2000112.5V142 I145 V183 M184 I192 W193V142-L187 HydrophobicContact CG1-CD2 4.4Å; I145-L187 HydrophobicContact CB-CD2 4.02Å; I145-L187 HydrophobicContact CD1-CD1 3.73Å; I145-L187 HydrophobicContact CG2-CD1 4.12Å; I145-L187 HydrophobicContact CG2-CD2 3.68Å; V183-L187 HydrophobicContact CG1-CD1 3.77Å; V183-L187 HydrophobicContact CG1-CG 4.32Å; V183-L187 WeakPolarHBondContact O-CB 3.5Å; V183-L187 VanDerWaalsContact O-CG 3.24Å; V183-L187 WeakPolarHBondContact O-CG 3.21Å; V183-L187 PolarHBondContact O-N 2.85Å; M184-L187 PolarHBondContact O-N 2.85Å; L187-I192 HydrophobicContact CD2-CD1 3.81Å; L187-I192 PolarHBondContact O-N 3.34Å; L187-W193 HydrophobicContact CB-CB 4.3Å; L187-W193 HydrophobicContact CB-CD2 4.03Å; L187-W193 HydrophobicContact CB-CE3 4Å; L187-W193 HydrophobicContact CB-CG 4.18Å; L187-W193 HydrophobicContact CD1-CD2 3.72Å; L187-W193 HydrophobicContact CD1-CE3 3.51Å; L187-W193 HydrophobicContact CD1-CH2 3.58Å; L187-W193 HydrophobicContact CD1-CZ2 3.78Å; L187-W193 HydrophobicContact CD1-CZ3 3.44Å; L187-W193 VanDerWaalsContact CD1-CZ3 3.44Å; L187-W193 HydrophobicContact CG-CD2 4.49Å; L187-W193 HydrophobicContact CG-CE3 4.42Å; L187-W193 PolarHBondContact O-N 2.95Å
188Y87.3Confident87.7Confident29 Ų2938.6 Ų38.611%0.11418%0.182CC..Hα-helixtrans-65.7-49.1171.3-173.2-85.4000111M184 I185 E186 R190 N191 W193 V199 F220 F284 A286 L289M184-Y188 PolarHBondContact O-N 3.38Å; I185-Y188 PolarHBondContact O-N 3.34Å; E186-Y188 VanDerWaalsContact C-N 3.34Å; Y188-R190 PolarHBondContact O-N 3.01Å; Y188-N191 WeakPolarHBondContact O-CA 3.28Å; Y188-N191 PolarHBondContact O-N 3.49Å; Y188-W193 WeakPolarHBondContact CD2-O 3.24Å; Y188-V199 HydrophobicContact CD2-CG2 4.25Å; Y188-V199 HydrophobicContact CE2-CG2 3.63Å; Y188-F220 AromaticContact CD1-CE2 3.47Å; Y188-F220 HydrophobicContact CD1-CE2 3.47Å; Y188-F220 VanDerWaalsContact CD1-CE2 3.47Å; Y188-F220 AromaticContact CD1-CZ 3.85Å; Y188-F220 HydrophobicContact CD1-CZ 3.85Å; Y188-F220 HydrophobicContact CD2-CE2 4.26Å; Y188-F220 AromaticContact CD2-CZ 3.98Å; Y188-F220 HydrophobicContact CD2-CZ 3.98Å; Y188-F220 HydrophobicContact CE1-CE2 4.02Å; Y188-F220 HydrophobicContact CE1-CZ 4.06Å; Y188-F220 HydrophobicContact CE2-CZ 4.18Å; Y188-F220 AromaticContact CG-CE2 3.6Å; Y188-F220 HydrophobicContact CG-CE2 3.6Å; Y188-F220 AromaticContact CG-CZ 3.8Å; Y188-F220 HydrophobicContact CG-CZ 3.8Å; Y188-F284 PolarHBondContact OH-O 3.29Å; Y188-A286 HydrophobicContact CE1-CB 4.32Å; Y188-A286 WeakPolarHBondContact OH-CA 3.27Å; Y188-A286 PolarHBondContact OH-N 3.41Å; Y188-L289 HydrophobicContact CE2-CD1 4.3Å
189R85Confident87.6Confident131 Ų13135.1 Ų35.149%0.49417%0.166SC..Hα-helixtrans-59.9-31178.4-75179.2178.6166.21.9113.6I185 E186 N191I185-R189 WeakPolarHBondContact O-CG 3.3Å; I185-R189 PolarHBondContact O-N 3.35Å; E186-R189 PolarHBondContact O-N 3.44Å; R189-N191 PolarHBondContact O-N 2.9Å
190R85.5Confident87.6Confident105 Ų10535 Ų3540%0.39617%0.167SC..THydrogen-bonded Turntrans-816.6175.4-68.3175.8-174.7-140.4-1.6113.6E186 Y188 I192E186-R190 VanDerWaalsContact O-CG 3.32Å; E186-R190 WeakPolarHBondContact O-CG 3.4Å; E186-R190 PolarHBondContact O-N 3.3Å; E186-R190 IonicContact OE1-CZ 2.79Å; E186-R190 VanDerWaalsContact OE1-CZ 3.27Å; E186-R190 IonicContact OE1-NE 3.96Å; E186-R190 PolarHBondContact OE1-NE 3.38Å; E186-R190 IonicContact OE1-NH2 3.57Å; E186-R190 PolarHBondContact OE1-NH2 3.39Å; Y188-R190 PolarHBondContact O-N 3.01Å; R190-I192 HydrophobicContact CB-CD1 3.78Å; R190-I192 HydrophobicContact CB-CG1 3.97Å; R190-I192 PolarHBondContact O-N 3.36Å
191N83.5Confident87.5Confident105 Ų10535.6 Ų35.656%0.56117%0.17SC*.THydrogen-bonded Turntrans56.426.6-176.2-66.6-44.7000114.1Y188 R189Y188-N191 WeakPolarHBondContact O-CA 3.28Å; Y188-N191 PolarHBondContact O-N 3.49Å; R189-N191 PolarHBondContact O-N 2.9Å
192I84Confident87.5Confident17 Ų1735.6 Ų35.69%0.08717%0.17CC..SBendtrans-86.5-49.7178.1-57.1164.2000109.6I145 K146 N149 L187 R190I145-I192 HydrophobicContact CG2-CG2 4.27Å; K146-I192 HydrophobicContact CB-CD1 3.79Å; K146-I192 HydrophobicContact CG-CD1 4.06Å; N149-I192 HydrophobicContact CB-CG2 3.88Å; L187-I192 HydrophobicContact CD2-CD1 3.81Å; L187-I192 PolarHBondContact O-N 3.34Å; R190-I192 HydrophobicContact CB-CD1 3.78Å; R190-I192 HydrophobicContact CB-CG1 3.97Å; R190-I192 PolarHBondContact O-N 3.36Å
193W85.3Confident87.4Confident0 Ų034.6 Ų34.60%017%0.165CC..SBendtrans-109.260.8-180-71.4-4.9000111.5I145 N158 L161 M165 M184 L187 Y188 D195 T198I145-W193 HydrophobicContact CD1-CH2 4.27Å; I145-W193 HydrophobicContact CD1-CZ2 4.09Å; I145-W193 HydrophobicContact CG2-CZ2 4.19Å; N158-W193 PolarHBondContact OD1-NE1 3.37Å; N158-W193 VanDerWaalsContact OD1-NE1 3.13Å; L161-W193 HydrophobicContact CB-CH2 4.11Å; L161-W193 HydrophobicContact CB-CZ2 4.05Å; L161-W193 HydrophobicContact CD1-CZ2 4.24Å; M165-W193 HydrophobicContact CG-CH2 4.4Å; M165-W193 HydrophobicContact CG-CZ3 4.26Å; M184-W193 HydrophobicContact CG-CZ3 4.17Å; L187-W193 HydrophobicContact CB-CB 4.3Å; L187-W193 HydrophobicContact CB-CD2 4.03Å; L187-W193 HydrophobicContact CB-CE3 4Å; L187-W193 HydrophobicContact CB-CG 4.18Å; L187-W193 HydrophobicContact CD1-CD2 3.72Å; L187-W193 HydrophobicContact CD1-CE3 3.51Å; L187-W193 HydrophobicContact CD1-CH2 3.58Å; L187-W193 HydrophobicContact CD1-CZ2 3.78Å; L187-W193 HydrophobicContact CD1-CZ3 3.44Å; L187-W193 VanDerWaalsContact CD1-CZ3 3.44Å; L187-W193 HydrophobicContact CG-CD2 4.49Å; L187-W193 HydrophobicContact CG-CE3 4.42Å; L187-W193 PolarHBondContact O-N 2.95Å; Y188-W193 WeakPolarHBondContact CD2-O 3.24Å; W193-D195 PolarHBondContact O-N 3.49Å; W193-D195 VanDerWaalsContact O-N 3.17Å; W193-T198 HydrophobicContact CB-CG2 4.14Å; W193-T198 HydrophobicContact CE3-CG2 4.31Å
194N82.8Confident87.3Confident67 Ų6737.1 Ų37.136%0.35818%0.181SC..  trans-86.445.1176.467.9-34.4000112.6K153K153-N194 PolarHBondContact NZ-OD1 2.94Å
195D84.9Confident87.4Confident53 Ų5337.3 Ų37.328%0.28318%0.183SC..  trans-107.2149.2-175.7-52.1-38.4000111.4Q162 W193 K197 T198 V199Q162-D195 PolarHBondContact NE2-OD2 3.3Å; W193-D195 PolarHBondContact O-N 3.49Å; W193-D195 VanDerWaalsContact O-N 3.17Å; D195-K197 PolarHBondContact O-N 3.4Å; D195-T198 PolarHBondContact O-N 3Å; D195-T198 VanDerWaalsContact O-N 3.14Å; D195-V199 PolarHBondContact O-N 3.35Å
196A87.3Confident87.4Confident31 Ų3136.9 Ų36.926%0.25618%0.18SC..Hα-helixtrans-56.5-37.4174.800000112.6T198 V199 N200 L289A196-T198 VanDerWaalsContact C-N 3.34Å; A196-T198 PolarHBondContact O-N 3.46Å; A196-V199 PolarHBondContact O-N 2.8Å; A196-N200 PolarHBondContact O-N 2.99Å; A196-N200 PolarHBondContact O-ND2 3.4Å; A196-L289 HydrophobicContact CB-CB 4.47Å; A196-L289 HydrophobicContact CB-CD2 4.43Å
197K87.3Confident87.4Confident76 Ų7638.1 Ų38.133%0.3319%0.185SC..Hα-helixtrans-59.1-42.9177.6-172.9172.8175.9-173.20112.7N163 D195 N200 V201N163-K197 WeakPolarHBondContact OD1-CE 3.42Å; N163-K197 PolarHBondContact OD1-NZ 3.48Å; D195-K197 PolarHBondContact O-N 3.4Å; K197-N200 PolarHBondContact O-N 2.97Å; K197-V201 VanDerWaalsContact O-CG2 3.31Å; K197-V201 WeakPolarHBondContact O-CG2 3.27Å; K197-V201 PolarHBondContact O-N 2.75Å
198T87.7Confident87.4Confident1 Ų139.7 Ų39.71%0.00620%0.196CC..Hα-helixtrans-63-45.2179.3-57.70000110.8Q162 M184 W193 D195 A196 V201 I202Q162-T198 PolarHBondContact NE2-OG1 3.44Å; M184-T198 HydrophobicContact CE-CG2 3.79Å; W193-T198 HydrophobicContact CB-CG2 4.14Å; W193-T198 HydrophobicContact CE3-CG2 4.31Å; D195-T198 PolarHBondContact O-N 3Å; D195-T198 VanDerWaalsContact O-N 3.14Å; A196-T198 VanDerWaalsContact C-N 3.34Å; A196-T198 PolarHBondContact O-N 3.46Å; T198-V201 PolarHBondContact O-N 3Å; T198-I202 HydrophobicContact CG2-CD1 4.3Å; T198-I202 WeakPolarHBondContact O-CG1 3.4Å; T198-I202 PolarHBondContact O-N 3.18Å
199V89.3Confident87.4Confident0 Ų048.1 Ų48.10%023%0.233CC..Hα-helixtrans-61.7-46.8178173.20000111.1Y188 D195 A196 V201 I202 T203 F221 A286 L289 I290Y188-V199 HydrophobicContact CD2-CG2 4.25Å; Y188-V199 HydrophobicContact CE2-CG2 3.63Å; D195-V199 PolarHBondContact O-N 3.35Å; A196-V199 PolarHBondContact O-N 2.8Å; V199-V201 VanDerWaalsContact C-N 3.28Å; V199-V201 PolarHBondContact O-N 3.44Å; V199-I202 CarbonylContact O-C 2.92Å; V199-I202 WeakPolarHBondContact O-CA 3.31Å; V199-I202 WeakPolarHBondContact O-CB 3.44Å; V199-I202 PolarHBondContact O-N 3.29Å; V199-T203 PolarHBondContact O-N 3.03Å; V199-F221 HydrophobicContact CG1-CE1 3.79Å; V199-F221 HydrophobicContact CG1-CZ 4.11Å; V199-A286 HydrophobicContact CG1-CB 4.41Å; V199-A286 WeakPolarHBondContact CG1-O 3.45Å; V199-A286 HydrophobicContact CG2-CB 4.25Å; V199-L289 HydrophobicContact CB-CB 4.12Å; V199-L289 HydrophobicContact CG1-CB 4.16Å; V199-L289 HydrophobicContact CG2-CB 3.89Å; V199-L289 HydrophobicContact CG2-CD1 3.96Å; V199-I290 HydrophobicContact CG1-CG1 3.95Å
200N89.5Confident87.6Confident28 Ų2844.6 Ų44.615%0.1523%0.226CC..Hα-helixtrans-69.9-23.2179.5-72.4-76.3000113.2A196 K197 T203 L289 H291A196-N200 PolarHBondContact O-N 2.99Å; A196-N200 PolarHBondContact O-ND2 3.4Å; K197-N200 PolarHBondContact O-N 2.97Å; N200-T203 WeakPolarHBondContact CA-OG1 3.46Å; N200-T203 PolarHBondContact O-OG1 3.22Å; N200-L289 PolarHBondContact ND2-O 2.95Å; N200-H291 PolarHBondContact ND2-CD2 3.45Å; N200-H291 PolarHBondContact ND2-NE2 3.1Å; N200-H291 PolarHBondContact OD1-N 3.36Å
201V88.6Confident87.8Confident12 Ų1242 Ų427%0.07322%0.222CC..Hα-helixtrans-71.3-39167.4171.90000110.1Y166 L169 M184 K197 T198 V199 T203 T204Y166-V201 HydrophobicContact CD2-CG1 4.42Å; Y166-V201 HydrophobicContact CD2-CG2 4.24Å; L169-V201 HydrophobicContact CD1-CG1 3.4Å; L169-V201 VanDerWaalsContact CD1-CG1 3.4Å; M184-V201 HydrophobicContact CE-CB 3.83Å; M184-V201 HydrophobicContact CE-CG1 3.58Å; M184-V201 HydrophobicContact SD-CG1 3.93Å; K197-V201 VanDerWaalsContact O-CG2 3.31Å; K197-V201 WeakPolarHBondContact O-CG2 3.27Å; K197-V201 PolarHBondContact O-N 2.75Å; T198-V201 PolarHBondContact O-N 3Å; V199-V201 VanDerWaalsContact C-N 3.28Å; V199-V201 PolarHBondContact O-N 3.44Å; V201-T203 PolarHBondContact O-N 2.67Å; V201-T204 PolarHBondContact O-N 3.11Å; V201-T204 PolarHBondContact O-OG1 2.95Å
202I90.1Very high88.1Confident0 Ų044.7 Ų44.70%023%0.229CC..Hα-helixtrans-66.8-34.1176-62.8165.4000111.9L181 M184 I185 T198 V199 T204 A205 A217 F220 F221L181-I202 HydrophobicContact CD1-CB 4.47Å; L181-I202 HydrophobicContact CD1-CG1 4.06Å; L181-I202 HydrophobicContact CD1-CG2 4.08Å; M184-I202 HydrophobicContact CB-CD1 4.4Å; M184-I202 HydrophobicContact CB-CG1 4.49Å; M184-I202 HydrophobicContact CE-CG1 4.16Å; I185-I202 HydrophobicContact CG1-CD1 4.48Å; T198-I202 HydrophobicContact CG2-CD1 4.3Å; T198-I202 WeakPolarHBondContact O-CG1 3.4Å; T198-I202 PolarHBondContact O-N 3.18Å; V199-I202 CarbonylContact O-C 2.92Å; V199-I202 WeakPolarHBondContact O-CA 3.31Å; V199-I202 WeakPolarHBondContact O-CB 3.44Å; V199-I202 PolarHBondContact O-N 3.29Å; I202-T204 PolarHBondContact O-N 2.96Å; I202-A205 VanDerWaalsContact O-CB 3.31Å; I202-A205 WeakPolarHBondContact O-CB 3.46Å; I202-A205 PolarHBondContact O-N 3.23Å; I202-A217 HydrophobicContact CG2-CB 4.33Å; I202-F220 HydrophobicContact CB-CD1 4.33Å; I202-F220 HydrophobicContact CB-CE1 4.26Å; I202-F220 HydrophobicContact CD1-CD1 4.07Å; I202-F220 HydrophobicContact CD1-CD2 4.39Å; I202-F220 HydrophobicContact CD1-CE1 3.65Å; I202-F220 HydrophobicContact CD1-CE2 4.01Å; I202-F220 HydrophobicContact CD1-CG 4.4Å; I202-F220 HydrophobicContact CD1-CZ 3.62Å; I202-F220 HydrophobicContact CG2-CD1 3.5Å; I202-F220 HydrophobicContact CG2-CE1 3.93Å; I202-F220 HydrophobicContact CG2-CG 4.16Å; I202-F221 HydrophobicContact CB-CZ 4.48Å; I202-F221 HydrophobicContact CG2-CE2 3.83Å; I202-F221 HydrophobicContact CG2-CZ 4.19Å
203T90.6Very high88.5Confident14 Ų1444.2 Ų44.29%0.08623%0.226CC..Hα-helixtrans-58.9-35.1174.7610000111.7V199 N200 V201 A205 C206 F207 F221 I290 F296V199-T203 PolarHBondContact O-N 3.03Å; N200-T203 WeakPolarHBondContact CA-OG1 3.46Å; N200-T203 PolarHBondContact O-OG1 3.22Å; V201-T203 PolarHBondContact O-N 2.67Å; T203-A205 PolarHBondContact O-N 2.95Å; T203-C206 VanDerWaalsContact O-CB 3.27Å; T203-C206 WeakPolarHBondContact O-CB 3.31Å; T203-C206 PolarHBondContact O-N 3.27Å; T203-C206 VanDerWaalsContact O-N 3.1Å; T203-F207 WeakPolarHBondContact O-CD2 3.47Å; T203-F221 HydrophobicContact CG2-CE1 4.3Å; T203-F221 HydrophobicContact CG2-CE2 4.11Å; T203-F221 HydrophobicContact CG2-CZ 3.49Å; T203-F221 VanDerWaalsContact CG2-CZ 3.49Å; T203-I290 HydrophobicContact CG2-CD1 4.28Å; T203-I290 HydrophobicContact CG2-CG1 4.11Å; T203-I290 HydrophobicContact CG2-CG2 4.45Å; T203-F296 HydrophobicContact CG2-CD1 4.44Å; T203-F296 HydrophobicContact CG2-CD2 4.47Å; T203-F296 HydrophobicContact CG2-CE1 4.06Å; T203-F296 HydrophobicContact CG2-CE2 4.14Å; T203-F296 HydrophobicContact CG2-CZ 3.9Å
204T88.7Confident88.8Confident54 Ų5444.5 Ų44.533%0.33123%0.228SC..Hα-helixtrans-63.4-30.4175.671.60000112.9Y166 V201 I202 C206 F207Y166-T204 HydrophobicContact CE2-CG2 4.39Å; V201-T204 PolarHBondContact O-N 3.11Å; V201-T204 PolarHBondContact O-OG1 2.95Å; I202-T204 PolarHBondContact O-N 2.96Å; T204-C206 PolarHBondContact O-N 3.49Å; T204-F207 PolarHBondContact O-N 3.02Å; T204-F207 VanDerWaalsContact O-N 3.17Å
205A90.4Very high89.2Confident5 Ų543.5 Ų43.54%0.04122%0.224CC..Hα-helixtrans-70.2-21.5177.500000112.6L181 I202 T203 F207 S208 I213 A217L181-A205 HydrophobicContact CD1-CB 3.99Å; L181-A205 HydrophobicContact CD2-CB 3.96Å; I202-A205 VanDerWaalsContact O-CB 3.31Å; I202-A205 WeakPolarHBondContact O-CB 3.46Å; I202-A205 PolarHBondContact O-N 3.23Å; T203-A205 PolarHBondContact O-N 2.95Å; A205-F207 PolarHBondContact O-N 3.09Å; A205-S208 WeakPolarHBondContact O-CB 3.1Å; A205-S208 PolarHBondContact O-N 3.35Å; A205-I213 HydrophobicContact CB-CG2 4.01Å; A205-A217 HydrophobicContact CB-CB 3.9Å
206C90.1Very high89.4Confident0 Ų041.5 Ų41.50%022%0.215CC..THydrogen-bonded Turntrans-66.5-16.9172.1-62.30000113.2T203 T204 L214 A217 F296 L300 Q303T203-C206 VanDerWaalsContact O-CB 3.27Å; T203-C206 WeakPolarHBondContact O-CB 3.31Å; T203-C206 PolarHBondContact O-N 3.27Å; T203-C206 VanDerWaalsContact O-N 3.1Å; T204-C206 PolarHBondContact O-N 3.49Å; C206-L214 WeakPolarHBondContact O-CD1 3.21Å; C206-A217 VanDerWaalsContact SG-CB 3.58Å; C206-F296 HydrophobicContact CB-CE2 4.16Å; C206-F296 HydrophobicContact CB-CZ 4.19Å; C206-L300 HydrophobicContact CB-CD2 4.09Å; C206-Q303 PolarHBondContact O-NE2 2.96Å; C206-Q303 PolarHBondContact O-OE1 3.34Å
207F89.7Confident89.7Confident72 Ų7240 Ų4032%0.31620%0.203SC..THydrogen-bonded Turntrans-999.2176.7-57.5-69000113.2T203 T204 A205 F296 K299 L300 Q303T203-F207 WeakPolarHBondContact O-CD2 3.47Å; T204-F207 PolarHBondContact O-N 3.02Å; T204-F207 VanDerWaalsContact O-N 3.17Å; A205-F207 PolarHBondContact O-N 3.09Å; F207-F296 AromaticContact CE2-CD2 3.57Å; F207-F296 HydrophobicContact CE2-CD2 3.57Å; F207-F296 AromaticContact CE2-CE2 3.55Å; F207-F296 HydrophobicContact CE2-CE2 3.55Å; F207-F296 AromaticContact CZ-CD2 3.46Å; F207-F296 HydrophobicContact CZ-CD2 3.46Å; F207-F296 VanDerWaalsContact CZ-CD2 3.46Å; F207-F296 AromaticContact CZ-CE2 3.58Å; F207-F296 HydrophobicContact CZ-CE2 3.58Å; F207-K299 HydrophobicContact CD1-CB 4.49Å; F207-K299 HydrophobicContact CE1-CB 3.48Å; F207-K299 VanDerWaalsContact CE1-CB 3.48Å; F207-K299 HydrophobicContact CZ-CB 3.58Å; F207-K299 HydrophobicContact CZ-CD 4.35Å; F207-L300 HydrophobicContact CE1-CD2 3.83Å; F207-L300 HydrophobicContact CE1-CG 4.11Å; F207-L300 HydrophobicContact CZ-CD2 4.13Å; F207-L300 HydrophobicContact CZ-CG 4.15Å; F207-Q303 VanDerWaalsContact CD1-OE1 3.26Å
208S88Confident89.8Confident33 Ų3336.4 Ų36.423%0.23119%0.187CC..  trans-69.1137.7177.9-171.80000111.5A205 V210A205-S208 WeakPolarHBondContact O-CB 3.1Å; A205-S208 PolarHBondContact O-N 3.35Å; S208-V210 PolarHBondContact O-N 3.35Å; S208-V210 PolarHBondContact OG-N 2.84Å
209K86.3Confident89.9Confident207 Ų20738.4 Ų38.490%0.920%0.199SC*.SBendtrans-67.3-18.3172.4-63-178.8-178.3177.70112.7T211K209-T211 PolarHBondContact O-N 3.38Å
210V89.8Confident89.8Confident56 Ų5639.1 Ų39.134%0.33920%0.202SC..SBendtrans-86.3112.8-178-177.70000109.7A174 S208 K212 I213 L214A174-V210 HydrophobicContact CB-CG1 4.11Å; A174-V210 HydrophobicContact CB-CG2 3.98Å; S208-V210 PolarHBondContact O-N 3.35Å; S208-V210 PolarHBondContact OG-N 2.84Å; V210-K212 HydrophobicContact CG1-CB 4.4Å; V210-K212 PolarHBondContact O-N 3.11Å; V210-K212 VanDerWaalsContact O-N 3.07Å; V210-I213 HydrophobicContact CB-CB 4.39Å; V210-I213 HydrophobicContact CB-CD1 4.01Å; V210-I213 HydrophobicContact CB-CG1 4.17Å; V210-I213 HydrophobicContact CG1-CD1 4.34Å; V210-I213 HydrophobicContact CG1-CG1 4.21Å; V210-I213 HydrophobicContact CG2-CD1 4.36Å; V210-I213 PolarHBondContact O-N 3.04Å; V210-L214 PolarHBondContact O-N 3.05Å
211T90.2Very high89.7Confident50 Ų5038.1 Ų38.131%0.30720%0.196SC..Hα-helixtrans-53-35.9-176.2-31.60000113.3K209 V215 E309 V313K209-T211 PolarHBondContact O-N 3.38Å; T211-V215 HydrophobicContact CG2-CG2 4.36Å; T211-V215 WeakPolarHBondContact O-CB 3.12Å; T211-V215 WeakPolarHBondContact O-CG2 3.29Å; T211-V215 PolarHBondContact O-N 2.94Å; T211-E309 HydrophobicContact CG2-CG 4.49Å; T211-E309 PolarHBondContact OG1-OE1 3.01Å; T211-V313 HydrophobicContact CG2-CG2 4.12Å
212K90.5Very high89.5Confident163 Ų16338.4 Ų38.471%0.70920%0.198SC*.Hα-helixtrans-67-36.9178.9-68.3-177.1-178.2174.80113.2V210 A216V210-K212 HydrophobicContact CG1-CB 4.4Å; V210-K212 PolarHBondContact O-N 3.11Å; V210-K212 VanDerWaalsContact O-N 3.07Å; K212-A216 WeakPolarHBondContact O-CB 2.89Å; K212-A216 PolarHBondContact O-N 3.41Å; K212-A216 VanDerWaalsContact O-N 3.17Å
213I91.8Very high88.7Confident7 Ų740.2 Ų40.24%0.03622%0.216CC..Hα-helixtrans-73.1-46177.6-63.2177000108.8A177 K178 L181 A205 V210 V215 A216 A217A177-I213 HydrophobicContact CB-CD1 3.73Å; K178-I213 HydrophobicContact CB-CG1 3.91Å; K178-I213 HydrophobicContact CG-CG1 4.4Å; L181-I213 HydrophobicContact CD2-CG2 3.86Å; A205-I213 HydrophobicContact CB-CG2 4.01Å; V210-I213 HydrophobicContact CB-CB 4.39Å; V210-I213 HydrophobicContact CB-CD1 4.01Å; V210-I213 HydrophobicContact CB-CG1 4.17Å; V210-I213 HydrophobicContact CG1-CD1 4.34Å; V210-I213 HydrophobicContact CG1-CG1 4.21Å; V210-I213 HydrophobicContact CG2-CD1 4.36Å; V210-I213 PolarHBondContact O-N 3.04Å; I213-V215 PolarHBondContact O-N 2.99Å; I213-A216 PolarHBondContact O-N 2.65Å; I213-A217 PolarHBondContact O-N 3.08Å
214L90.8Very high86.8Confident5 Ų547 Ų473%0.02625%0.245CC..Hα-helixtrans-52.8-53.9174.1174.664.1000111.5C206 V210 A216 A217 L218 V313C206-L214 WeakPolarHBondContact O-CD1 3.21Å; V210-L214 PolarHBondContact O-N 3.05Å; L214-A216 VanDerWaalsContact C-N 3.34Å; L214-A216 PolarHBondContact O-N 3.41Å; L214-A217 PolarHBondContact O-N 3.2Å; L214-L218 HydrophobicContact CD1-CD1 3.85Å; L214-L218 HydrophobicContact CD1-CG 4.05Å; L214-L218 HydrophobicContact CG-CD1 3.89Å; L214-L218 HydrophobicContact CG-CG 4.41Å; L214-L218 WeakPolarHBondContact O-CB 3.28Å; L214-L218 VanDerWaalsContact O-CG 3.27Å; L214-L218 WeakPolarHBondContact O-CG 3.37Å; L214-L218 PolarHBondContact O-N 3.33Å; L214-V313 HydrophobicContact CD2-CG1 3.67Å; L214-V313 HydrophobicContact CG-CG1 4.34Å
215V91.3Very high84.3Confident47 Ų4751.7 Ų51.729%0.28527%0.268SS..Hα-helixtrans-61.2-42.4-179.8170.20000111.1T211 I213 A217 L218 T219 V313 M316T211-V215 HydrophobicContact CG2-CG2 4.36Å; T211-V215 WeakPolarHBondContact O-CB 3.12Å; T211-V215 WeakPolarHBondContact O-CG2 3.29Å; T211-V215 PolarHBondContact O-N 2.94Å; I213-V215 PolarHBondContact O-N 2.99Å; V215-A217 PolarHBondContact O-N 2.98Å; V215-L218 PolarHBondContact O-N 3.37Å; V215-T219 HydrophobicContact CG1-CG2 4.21Å; V215-T219 WeakPolarHBondContact O-CB 3.26Å; V215-T219 WeakPolarHBondContact O-CG2 2.96Å; V215-T219 PolarHBondContact O-N 2.93Å; V215-T219 PolarHBondContact O-OG1 3.01Å; V215-T219 VanDerWaalsContact O-OG1 3.1Å; V215-V313 HydrophobicContact CG2-CG2 3.99Å; V215-M316 HydrophobicContact CG1-CE 4.27Å; V215-M316 HydrophobicContact CG1-SD 4.37Å
216A90.4Very high81.7Confident11 Ų1159 Ų599%0.09130%0.301CS..Hα-helixtrans-60.2-45.8177.200000111.9L181 K212 I213 L214 T219 F220L181-A216 HydrophobicContact CD2-CB 3.78Å; K212-A216 WeakPolarHBondContact O-CB 2.89Å; K212-A216 PolarHBondContact O-N 3.41Å; K212-A216 VanDerWaalsContact O-N 3.17Å; I213-A216 PolarHBondContact O-N 2.65Å; L214-A216 VanDerWaalsContact C-N 3.34Å; L214-A216 PolarHBondContact O-N 3.41Å; A216-T219 WeakPolarHBondContact CA-OG1 3.36Å; A216-T219 PolarHBondContact O-N 3.34Å; A216-T219 PolarHBondContact O-OG1 3.46Å; A216-F220 PolarHBondContact O-N 2.82Å; A216-F220 VanDerWaalsContact O-N 3.07Å
217A91.8Very high79Confident0 Ų065.6 Ų65.60%033%0.332CS..Hα-helixtrans-64.8-42.5176.900000112.1L181 I202 A205 C206 I213 L214 V215 F220 F221L181-A217 HydrophobicContact CD2-CB 4.16Å; I202-A217 HydrophobicContact CG2-CB 4.33Å; A205-A217 HydrophobicContact CB-CB 3.9Å; C206-A217 VanDerWaalsContact SG-CB 3.58Å; I213-A217 PolarHBondContact O-N 3.08Å; L214-A217 PolarHBondContact O-N 3.2Å; V215-A217 PolarHBondContact O-N 2.98Å; A217-F220 WeakPolarHBondContact O-CB 3.25Å; A217-F220 PolarHBondContact O-N 2.99Å; A217-F221 WeakPolarHBondContact O-CD2 3.46Å; A217-F221 PolarHBondContact O-N 3.27Å
218L90.2Very high76.5Confident0 Ų068.4 Ų68.40%035%0.346CS..Hα-helixtrans-64.6-41.9175.5-65.8175.2000111.8L214 V215 F220 F221 L222 V313 M316 L317 L320L214-L218 HydrophobicContact CD1-CD1 3.85Å; L214-L218 HydrophobicContact CD1-CG 4.05Å; L214-L218 HydrophobicContact CG-CD1 3.89Å; L214-L218 HydrophobicContact CG-CG 4.41Å; L214-L218 WeakPolarHBondContact O-CB 3.28Å; L214-L218 VanDerWaalsContact O-CG 3.27Å; L214-L218 WeakPolarHBondContact O-CG 3.37Å; L214-L218 PolarHBondContact O-N 3.33Å; V215-L218 PolarHBondContact O-N 3.37Å; L218-F220 PolarHBondContact O-N 3.48Å; L218-F221 PolarHBondContact O-N 2.71Å; L218-L222 WeakPolarHBondContact O-CB 3.28Å; L218-L222 VanDerWaalsContact O-CG 3.27Å; L218-L222 WeakPolarHBondContact O-CG 3.48Å; L218-L222 PolarHBondContact O-N 2.92Å; L218-V313 HydrophobicContact CD1-CG1 4.41Å; L218-M316 HydrophobicContact CB-CB 4.38Å; L218-M316 HydrophobicContact CB-CE 3.65Å; L218-M316 HydrophobicContact CD1-CB 3.93Å; L218-L317 HydrophobicContact CD1-CD2 3.98Å; L218-L317 HydrophobicContact CD1-CG 3.9Å; L218-L317 HydrophobicContact CD2-CD2 3.78Å; L218-L317 HydrophobicContact CD2-CG 4.45Å; L218-L317 HydrophobicContact CG-CD2 4.49Å; L218-L320 HydrophobicContact CD2-CB 4.45Å; L218-L320 HydrophobicContact CD2-CD2 3.54Å
219T88.9Confident73.9Confident43 Ų4374.3 Ų74.326%0.26437%0.368SS..Hα-helixtrans-64.2-26.3175.854.40000113.3V215 A216 G223 M316V215-T219 HydrophobicContact CG1-CG2 4.21Å; V215-T219 WeakPolarHBondContact O-CB 3.26Å; V215-T219 WeakPolarHBondContact O-CG2 2.96Å; V215-T219 PolarHBondContact O-N 2.93Å; V215-T219 PolarHBondContact O-OG1 3.01Å; V215-T219 VanDerWaalsContact O-OG1 3.1Å; A216-T219 WeakPolarHBondContact CA-OG1 3.36Å; A216-T219 PolarHBondContact O-N 3.34Å; A216-T219 PolarHBondContact O-OG1 3.46Å; T219-G223 PolarHBondContact O-N 2.92Å; T219-M316 HydrophobicContact CG2-CE 3.47Å; T219-M316 VanDerWaalsContact CG2-CE 3.47Å
220F89.1Confident71.3Confident15 Ų1570.4 Ų70.47%0.06635%0.352CS..Hα-helixtrans-66.5-53.1174.5166.7-101.6000111I185 Y188 I202 A216 A217 L218 L222 G223 A286I185-F220 HydrophobicContact CB-CD2 4.28Å; I185-F220 HydrophobicContact CD1-CB 3.93Å; I185-F220 HydrophobicContact CG1-CB 3.99Å; I185-F220 HydrophobicContact CG1-CD2 3.83Å; I185-F220 HydrophobicContact CG1-CG 4.08Å; I185-F220 HydrophobicContact CG2-CD2 4Å; Y188-F220 AromaticContact CD1-CE2 3.47Å; Y188-F220 HydrophobicContact CD1-CE2 3.47Å; Y188-F220 VanDerWaalsContact CD1-CE2 3.47Å; Y188-F220 AromaticContact CD1-CZ 3.85Å; Y188-F220 HydrophobicContact CD1-CZ 3.85Å; Y188-F220 HydrophobicContact CD2-CE2 4.26Å; Y188-F220 AromaticContact CD2-CZ 3.98Å; Y188-F220 HydrophobicContact CD2-CZ 3.98Å; Y188-F220 HydrophobicContact CE1-CE2 4.02Å; Y188-F220 HydrophobicContact CE1-CZ 4.06Å; Y188-F220 HydrophobicContact CE2-CZ 4.18Å; Y188-F220 AromaticContact CG-CE2 3.6Å; Y188-F220 HydrophobicContact CG-CE2 3.6Å; Y188-F220 AromaticContact CG-CZ 3.8Å; Y188-F220 HydrophobicContact CG-CZ 3.8Å; I202-F220 HydrophobicContact CB-CD1 4.33Å; I202-F220 HydrophobicContact CB-CE1 4.26Å; I202-F220 HydrophobicContact CD1-CD1 4.07Å; I202-F220 HydrophobicContact CD1-CD2 4.39Å; I202-F220 HydrophobicContact CD1-CE1 3.65Å; I202-F220 HydrophobicContact CD1-CE2 4.01Å; I202-F220 HydrophobicContact CD1-CG 4.4Å; I202-F220 HydrophobicContact CD1-CZ 3.62Å; I202-F220 HydrophobicContact CG2-CD1 3.5Å; I202-F220 HydrophobicContact CG2-CE1 3.93Å; I202-F220 HydrophobicContact CG2-CG 4.16Å; A216-F220 PolarHBondContact O-N 2.82Å; A216-F220 VanDerWaalsContact O-N 3.07Å; A217-F220 WeakPolarHBondContact O-CB 3.25Å; A217-F220 PolarHBondContact O-N 2.99Å; L218-F220 PolarHBondContact O-N 3.48Å; F220-L222 PolarHBondContact O-N 3.44Å; F220-G223 PolarHBondContact O-N 3.1Å; F220-A286 HydrophobicContact CD1-CB 4.48Å; F220-A286 HydrophobicContact CE1-CB 3.55Å; F220-A286 HydrophobicContact CZ-CB 3.6Å
221F87.4Confident68.5Low6 Ų674.1 Ų74.13%0.02637%0.37CS..Hα-helixtrans-70.8-31.2-178.7-72.5-71000114V199 I202 T203 A217 L218 G223 A286 I287 I290 L320V199-F221 HydrophobicContact CG1-CE1 3.79Å; V199-F221 HydrophobicContact CG1-CZ 4.11Å; I202-F221 HydrophobicContact CB-CZ 4.48Å; I202-F221 HydrophobicContact CG2-CE2 3.83Å; I202-F221 HydrophobicContact CG2-CZ 4.19Å; T203-F221 HydrophobicContact CG2-CE1 4.3Å; T203-F221 HydrophobicContact CG2-CE2 4.11Å; T203-F221 HydrophobicContact CG2-CZ 3.49Å; T203-F221 VanDerWaalsContact CG2-CZ 3.49Å; A217-F221 WeakPolarHBondContact O-CD2 3.46Å; A217-F221 PolarHBondContact O-N 3.27Å; L218-F221 PolarHBondContact O-N 2.71Å; F221-G223 PolarHBondContact O-N 3.21Å; F221-A286 HydrophobicContact CD1-CB 4Å; F221-A286 HydrophobicContact CE1-CB 4.05Å; F221-I287 HydrophobicContact CD1-CG1 4.36Å; F221-I290 HydrophobicContact CE1-CD1 4.02Å; F221-I290 HydrophobicContact CE1-CG1 4.32Å; F221-L320 HydrophobicContact CB-CD1 3.47Å; F221-L320 VanDerWaalsContact CB-CD1 3.47Å; F221-L320 HydrophobicContact CB-CD2 4.26Å; F221-L320 HydrophobicContact CD2-CD2 4.29Å; F221-L320 HydrophobicContact CG-CD1 4.12Å; F221-L320 HydrophobicContact CG-CD2 4.49Å
222L83.1Confident65.4Low19 Ų1976.4 Ų76.410%0.09939%0.388CS..Hα-helixtrans-72.5-21.4176.1-66.6179000112.2L218 F220 M316 N319 L320 R323L218-L222 WeakPolarHBondContact O-CB 3.28Å; L218-L222 VanDerWaalsContact O-CG 3.27Å; L218-L222 WeakPolarHBondContact O-CG 3.48Å; L218-L222 PolarHBondContact O-N 2.92Å; F220-L222 PolarHBondContact O-N 3.44Å; L222-M316 HydrophobicContact CD1-CB 4.05Å; L222-M316 HydrophobicContact CD1-CE 4.12Å; L222-M316 HydrophobicContact CD1-CG 4.18Å; L222-N319 HydrophobicContact CD1-CB 4.38Å; L222-N319 HydrophobicContact CD2-CB 3.83Å; L222-N319 VanDerWaalsContact CD2-CG 3.45Å; L222-L320 HydrophobicContact CD2-CB 4.23Å; L222-R323 PolarHBondContact O-NH1 3.43Å
223G73.6Confident62.7Low38 Ų3875.3 Ų75.339%0.39239%0.39SS..  trans62.8144.1-162.300000110.1T219 F220 F221T219-G223 PolarHBondContact O-N 2.92Å; F220-G223 PolarHBondContact O-N 3.1Å; F221-G223 PolarHBondContact O-N 3.21Å
224K51.4Low59.8Low156 Ų15679.9 Ų79.968%0.67842%0.423SS*.  trans-75.5143.5144.9-78-176.9174.5-178.20104.8E226K224-E226 PolarHBondContact O-N 3.47Å
225D35.9Very low57.1Low152 Ų15287.8 Ų87.881%0.81346%0.459SS*.  trans-57.962.6173.2-58.6-49.3000111E227D225-E227 PolarHBondContact O-N 2.93Å; D225-E227 VanDerWaalsContact O-N 3.08Å
226E35.5Very low54.4Low159 Ų15990.5 Ų90.574%0.74348%0.481SS*.  trans-76.886.4156.7-69.3-70.5164.500102.9K224 E228K224-E226 PolarHBondContact O-N 3.47Å; E226-E228 PolarHBondContact O-N 2.61Å
227E34.3Very low52Low139 Ų13999.3 Ų99.365%0.6552%0.52SS*.  trans-53.280.7151.9-71.1-180-177.200106.4D225 K229D225-E227 PolarHBondContact O-N 2.93Å; D225-E227 VanDerWaalsContact O-N 3.08Å; E227-K229 PolarHBondContact O-N 2.71Å
228E35.3Very low49.5Very low130 Ų130103.7 Ų103.761%0.60754%0.543SS*.  trans-63.985.6154.6-80.9-164.3-171.700105.1E226 Q230E226-E228 PolarHBondContact O-N 2.61Å; E228-Q230 HydrophobicContact CB-CG 4.42Å; E228-Q230 PolarHBondContact O-N 2.87Å; E228-Q230 PolarHBondContact OE2-NE2 3Å
229K34.7Very low47.5Very low158 Ų158110.5 Ų110.569%0.68758%0.58SS**  trans-59.578.9155.1-78.3-176.4178.4177.70106.9E227 D231E227-K229 PolarHBondContact O-N 2.71Å; K229-D231 PolarHBondContact O-N 2.98Å; K229-D231 VanDerWaalsContact O-N 3.11Å
230Q31.3Very low45.9Very low124 Ų124109.7 Ų109.758%0.57958%0.58SS**  trans-78.778.9153.2-65.9-167.418.700105.8E228 S232E228-Q230 HydrophobicContact CB-CG 4.42Å; E228-Q230 PolarHBondContact O-N 2.87Å; E228-Q230 PolarHBondContact OE2-NE2 3Å; Q230-S232 PolarHBondContact O-N 3.15Å
231D30.1Very low44.4Very low134 Ų134111.3 Ų111.372%0.71759%0.592SS**  trans-66.872153.9-76.6-34.9000106.5K229 D233K229-D231 PolarHBondContact O-N 2.98Å; K229-D231 VanDerWaalsContact O-N 3.11Å; D231-D233 VanDerWaalsContact C-N 3.27Å; D231-D233 PolarHBondContact O-N 3.22Å
232S26.9Very low43.1Very low98 Ų98113.8 Ų113.869%0.68561%0.607SS**  trans-81.386.8164.1-165.60000106.3Q230 S234Q230-S232 PolarHBondContact O-N 3.15Å; S232-S234 PolarHBondContact O-N 2.94Å
233D32.6Very low42.3Very low141 Ų141114.7 Ų114.775%0.75462%0.618SS**  trans-66.776.6164.4-87.9-22.9000108.4D231 E235D231-D233 VanDerWaalsContact C-N 3.27Å; D231-D233 PolarHBondContact O-N 3.22Å; D233-E235 PolarHBondContact O-N 3.39Å
234S30.4Very low42.2Very low102 Ų102122 Ų12271%0.71363%0.634SS**  trans-92.383.6158.1-156.90000107S232 S236S232-S234 PolarHBondContact O-N 2.94Å; S234-S236 VanDerWaalsContact C-N 3.28Å; S234-S236 PolarHBondContact O-N 3.48Å
235E34.8Very low43.2Very low171 Ų171118 Ų11880%0.79962%0.62SS**  trans-68.290.5166.5-69-15414700108.1D233D233-E235 PolarHBondContact O-N 3.39Å
236S34.1Very low44.9Very low104 Ų104112.1 Ų112.173%0.72759%0.588SS**  trans-78.2120.9157.138.50000107.8S234 D238S234-S236 VanDerWaalsContact C-N 3.28Å; S234-S236 PolarHBondContact O-N 3.48Å; S236-D238 PolarHBondContact O-N 3.15Å; S236-D238 VanDerWaalsContact O-N 3.14Å
237E40.5Very low46.8Very low196 Ų196108.7 Ų108.792%0.91657%0.574SS**  trans-68.9102.9172.7-61.7-157.8157.600108.7
238D39.5Very low48.9Very low93 Ų93106 Ų10650%0.49757%0.568SS.*  trans-103.9121.2169.7-174.832.8000109.4S236 G240 K277 R561S236-D238 PolarHBondContact O-N 3.15Å; S236-D238 VanDerWaalsContact O-N 3.14Å; D238-G240 PolarHBondContact O-N 3.39Å; D238-K277 IonicContact OD2-NZ 3.67Å; D238-K277 PolarHBondContact OD2-NZ 3.03Å; D238-R561 IonicContact OD2-NH1 2.72Å
239D48.5Very low50.8Low143 Ų143106 Ų10677%0.76557%0.568SS**  trans-60.8103.3-173.1-106-35.1000112.9
240G54.9Low52.9Low25 Ų25101 Ų10126%0.25855%0.545SS..SBendtrans-164.4172.3168.100000109.7D238 T242D238-G240 PolarHBondContact O-N 3.39Å; G240-T242 PolarHBondContact O-N 3.46Å; G240-T242 PolarHBondContact O-OG1 3.42Å
241P56.7Low55.1Low49 Ų4997.8 Ų97.832%0.31854%0.539SS..  trans-54106.2-178.1-22.430.8000109.8D245 L270 M562P241-D245 VanDerWaalsContact CA-OD2 3.3Å; P241-D245 WeakPolarHBondContact CA-OD2 3.35Å; P241-D245 HydrophobicContact CB-CB 4.49Å; P241-L270 WeakPolarHBondContact O-CD1 3.19Å; P241-M562 HydrophobicContact CG-CE 4.11Å; P241-M562 HydrophobicContact CG-SD 3.72Å
242T61.2Low57.5Low58 Ų5897 Ų9736%0.35654%0.539SS..  trans-72.2158-171-66.90000107.5G240 R244 D245 L246G240-T242 PolarHBondContact O-N 3.46Å; G240-T242 PolarHBondContact O-OG1 3.42Å; T242-R244 HydrophobicContact CG2-CB 3.94Å; T242-R244 CarbonylContact O-C 3.56Å; T242-R244 PolarHBondContact O-N 2.91Å; T242-D245 PolarHBondContact N-OD2 3.3Å; T242-D245 PolarHBondContact O-N 2.75Å; T242-L246 PolarHBondContact O-N 2.69Å
243A66.9Low59.9Low39 Ų3993.9 Ų93.932%0.32252%0.523SS..Hα-helixtrans-50.2-27.8170.500000111.6L247 L270A243-L247 WeakPolarHBondContact O-CB 3.37Å; A243-L247 VanDerWaalsContact O-CD1 3.29Å; A243-L247 WeakPolarHBondContact O-CD1 3.35Å; A243-L247 WeakPolarHBondContact O-CG 3.39Å; A243-L247 PolarHBondContact O-N 3.49Å; A243-L247 VanDerWaalsContact O-N 3.13Å; A243-L270 HydrophobicContact CB-CD2 4.31Å
244R70.2Confident62.1Low191 Ų19195.9 Ų95.972%0.72153%0.525SS*.Hα-helixtrans-56.8-50.9166.9-93.8-174.4163.5119.9-2.9113.7T242 L246 L247 V248T242-R244 HydrophobicContact CG2-CB 3.94Å; T242-R244 CarbonylContact O-C 3.56Å; T242-R244 PolarHBondContact O-N 2.91Å; R244-L246 VanDerWaalsContact C-N 3.34Å; R244-L246 PolarHBondContact O-N 3.34Å; R244-L247 CarbonylContact O-C 3.55Å; R244-L247 WeakPolarHBondContact O-CA 3.26Å; R244-L247 WeakPolarHBondContact O-CB 3.44Å; R244-L247 PolarHBondContact O-N 3.35Å; R244-V248 VanDerWaalsContact O-CG2 3.3Å; R244-V248 WeakPolarHBondContact O-CG2 3.49Å; R244-V248 PolarHBondContact O-N 2.97Å
245D72.4Confident64.4Low73 Ų7398.6 Ų98.639%0.3952%0.524SS..Hα-helixtrans-65.1-40.1-175.9-56.6-27.6000111.8P241 T242 L247 V248 Q249P241-D245 VanDerWaalsContact CA-OD2 3.3Å; P241-D245 WeakPolarHBondContact CA-OD2 3.35Å; P241-D245 HydrophobicContact CB-CB 4.49Å; T242-D245 PolarHBondContact N-OD2 3.3Å; T242-D245 PolarHBondContact O-N 2.75Å; D245-L247 VanDerWaalsContact C-N 3.33Å; D245-L247 PolarHBondContact O-N 2.76Å; D245-V248 PolarHBondContact O-N 3.38Å; D245-Q249 WeakPolarHBondContact O-CG 3.46Å; D245-Q249 PolarHBondContact O-N 3.18Å
246L72.3Confident66.6Low27 Ų2792.7 Ų92.714%0.14150%0.501CS..Hα-helixtrans-62.6-40.2172.5-69.3175.4000111.8T242 R244 Y250 L263 A266T242-L246 PolarHBondContact O-N 2.69Å; R244-L246 VanDerWaalsContact C-N 3.34Å; R244-L246 PolarHBondContact O-N 3.34Å; L246-Y250 PolarHBondContact O-N 2.96Å; L246-Y250 VanDerWaalsContact O-N 3.14Å; L246-L263 VanDerWaalsContact C-CD1 3.45Å; L246-L263 HydrophobicContact CB-CD1 3.69Å; L246-L263 WeakPolarHBondContact O-CD1 3.39Å; L246-A266 HydrophobicContact CD1-CB 3.91Å; L246-A266 HydrophobicContact CD2-CB 4.02Å
247L75.6Confident68.4Low87 Ų8791.3 Ų91.346%0.45549%0.492SS..Hα-helixtrans-65.4-40.9175.1-83.3158.3000111.9A243 R244 D245 Y250 A251 L263 M267A243-L247 WeakPolarHBondContact O-CB 3.37Å; A243-L247 VanDerWaalsContact O-CD1 3.29Å; A243-L247 WeakPolarHBondContact O-CD1 3.35Å; A243-L247 WeakPolarHBondContact O-CG 3.39Å; A243-L247 PolarHBondContact O-N 3.49Å; A243-L247 VanDerWaalsContact O-N 3.13Å; R244-L247 CarbonylContact O-C 3.55Å; R244-L247 WeakPolarHBondContact O-CA 3.26Å; R244-L247 WeakPolarHBondContact O-CB 3.44Å; R244-L247 PolarHBondContact O-N 3.35Å; D245-L247 VanDerWaalsContact C-N 3.33Å; D245-L247 PolarHBondContact O-N 2.76Å; L247-Y250 PolarHBondContact O-N 3.29Å; L247-A251 VanDerWaalsContact O-CB 3.31Å; L247-A251 WeakPolarHBondContact O-CB 3.24Å; L247-A251 PolarHBondContact O-N 3.39Å; L247-L263 HydrophobicContact CD2-CD2 4.27Å; L247-M267 HydrophobicContact CD1-CE 3.91Å; L247-M267 HydrophobicContact CD2-CE 3.67Å; L247-M267 HydrophobicContact CG-CE 3.44Å; L247-M267 VanDerWaalsContact CG-CE 3.44Å
248V78.8Confident70Confident84 Ų8488.2 Ų88.251%0.50948%0.475SS..Hα-helixtrans-64.2-48.3177.4170.80000110R244 D245 Y250 A251 T252R244-V248 VanDerWaalsContact O-CG2 3.3Å; R244-V248 WeakPolarHBondContact O-CG2 3.49Å; R244-V248 PolarHBondContact O-N 2.97Å; D245-V248 PolarHBondContact O-N 3.38Å; V248-Y250 VanDerWaalsContact C-N 3.28Å; V248-Y250 PolarHBondContact O-N 3.13Å; V248-A251 WeakPolarHBondContact O-CA 3.35Å; V248-A251 WeakPolarHBondContact O-CB 3.32Å; V248-A251 PolarHBondContact O-N 2.69Å; V248-T252 HydrophobicContact CG1-CG2 4.25Å; V248-T252 WeakPolarHBondContact O-CG2 3.26Å; V248-T252 PolarHBondContact O-N 3.17Å; V248-T252 PolarHBondContact O-OG1 3.29Å; V248-T252 VanDerWaalsContact O-OG1 3.05Å
249Q73.7Confident71.4Confident130 Ų13086.5 Ų86.561%0.60747%0.466SS*.Hα-helixtrans-57.5-38.4175.3-74178.6-200113.1D245 T252 G253D245-Q249 WeakPolarHBondContact O-CG 3.46Å; D245-Q249 PolarHBondContact O-N 3.18Å; Q249-T252 PolarHBondContact O-OG1 3.37Å; Q249-G253 PolarHBondContact O-N 3.36Å
250Y78.8Confident72.8Confident52 Ų5284.8 Ų84.820%0.20445%0.452CS..Hα-helixtrans-72.7-31.6174.5179.5-107.7000113L246 L247 V248 N259 K260 L263L246-Y250 PolarHBondContact O-N 2.96Å; L246-Y250 VanDerWaalsContact O-N 3.14Å; L247-Y250 PolarHBondContact O-N 3.29Å; V248-Y250 VanDerWaalsContact C-N 3.28Å; V248-Y250 PolarHBondContact O-N 3.13Å; Y250-N259 HydrophobicContact CD2-CB 3.97Å; Y250-N259 HydrophobicContact CE2-CB 3.85Å; Y250-K260 HydrophobicContact CE2-CB 3.97Å; Y250-K260 WeakPolarHBondContact OH-CB 3.5Å; Y250-L263 HydrophobicContact CD1-CD2 3.76Å; Y250-L263 HydrophobicContact CD2-CD2 4.47Å; Y250-L263 HydrophobicContact CG-CB 4.45Å; Y250-L263 HydrophobicContact CG-CD2 3.71Å
251A77.9Confident73.6Confident56 Ų5688.7 Ų88.746%0.46346%0.461SS..Hα-helixtrans-72.5-38.8178.900000112.2L247 V248L247-A251 VanDerWaalsContact O-CB 3.31Å; L247-A251 WeakPolarHBondContact O-CB 3.24Å; L247-A251 PolarHBondContact O-N 3.39Å; V248-A251 WeakPolarHBondContact O-CA 3.35Å; V248-A251 WeakPolarHBondContact O-CB 3.32Å; V248-A251 PolarHBondContact O-N 2.69Å
252T81.1Confident74.4Confident117 Ų11793.3 Ų93.372%0.71848%0.477SS*.Hα-helixtrans-79.7-30178.156.40000112.5V248 Q249V248-T252 HydrophobicContact CG1-CG2 4.25Å; V248-T252 WeakPolarHBondContact O-CG2 3.26Å; V248-T252 PolarHBondContact O-N 3.17Å; V248-T252 PolarHBondContact O-OG1 3.29Å; V248-T252 VanDerWaalsContact O-OG1 3.05Å; Q249-T252 PolarHBondContact O-OG1 3.37Å
253G77.1Confident75.2Confident33 Ų3391.7 Ų91.734%0.3447%0.466SS..SBendtrans-81.2173.9178.700000116.1Q249 K255Q249-G253 PolarHBondContact O-N 3.36Å; G253-K255 PolarHBondContact O-N 3.09Å; G253-K255 VanDerWaalsContact O-N 3.12Å
254K79.2Confident75.6Confident184 Ų18494.1 Ų94.180%0.847%0.47SS*.  trans-59.4116.1175.3-71.7175.9-178.31670111S256 N259K254-S256 VanDerWaalsContact C-N 3.26Å; K254-S256 PolarHBondContact O-N 3.46Å; K254-N259 PolarHBondContact O-ND2 3.07Å
255K78.9Confident75.8Confident159 Ų15987.8 Ų87.869%0.69145%0.448SS*.  trans-72.373.2179.7-64.4-175.7-177.2175.20112.4G253G253-K255 PolarHBondContact O-N 3.09Å; G253-K255 VanDerWaalsContact O-N 3.12Å
256S80.3Confident75.8Confident46 Ų4685 Ų8532%0.32244%0.435SS..  trans-100.1151.2176.3-179.10000111.9K254 K258 N259 K260K254-S256 VanDerWaalsContact C-N 3.26Å; K254-S256 PolarHBondContact O-N 3.46Å; S256-K258 PolarHBondContact O-N 3.25Å; S256-K258 VanDerWaalsContact O-N 3.13Å; S256-K258 PolarHBondContact OG-N 3.31Å; S256-K258 VanDerWaalsContact OG-N 3.17Å; S256-N259 PolarHBondContact O-N 3.21Å; S256-K260 PolarHBondContact O-N 3.25Å
257S72.7Confident75.9Confident76 Ų7685.9 Ų85.953%0.53144%0.439SS..Hα-helixtrans-58-21.2166.7-177.60000112.4K261S257-K261 WeakPolarHBondContact O-CG 3.23Å
258K72.2Confident75.8Confident131 Ų13187.1 Ų87.157%0.5744%0.441SS*.Hα-helixtrans-70.2-48.6170.6-40.2-145.8178.7158.20111.8S256 K261 K262 K575S256-K258 PolarHBondContact O-N 3.25Å; S256-K258 VanDerWaalsContact O-N 3.13Å; S256-K258 PolarHBondContact OG-N 3.31Å; S256-K258 VanDerWaalsContact OG-N 3.17Å; K258-K261 PolarHBondContact O-N 3.28Å; K258-K262 PolarHBondContact O-N 2.77Å; K258-K262 VanDerWaalsContact O-N 3.1Å; K258-K575 VanDerWaalsContact CB-NZ 3.29Å; K258-K575 HydrophobicContact CD-CD 4.47Å
259N70.9Confident75.5Confident57 Ų5784 Ų8431%0.30542%0.421SS..Hα-helixtrans-72.5-36.1-175.7-67.5-3.5000111.8Y250 K254 S256 K261 K262 L263Y250-N259 HydrophobicContact CD2-CB 3.97Å; Y250-N259 HydrophobicContact CE2-CB 3.85Å; K254-N259 PolarHBondContact O-ND2 3.07Å; S256-N259 PolarHBondContact O-N 3.21Å; N259-K261 VanDerWaalsContact C-N 3.26Å; N259-K261 PolarHBondContact O-N 3.37Å; N259-K262 PolarHBondContact O-N 3.39Å; N259-K262 VanDerWaalsContact O-N 3.1Å; N259-L263 PolarHBondContact O-N 2.87Å
260K76.9Confident75.4Confident107 Ų10778.9 Ų78.947%0.46540%0.398SS..Hα-helixtrans-56.8-42.1173.1-167.9177.3175177.70112Y250 S256 L263 E264Y250-K260 HydrophobicContact CE2-CB 3.97Å; Y250-K260 WeakPolarHBondContact OH-CB 3.5Å; S256-K260 PolarHBondContact O-N 3.25Å; K260-L263 WeakPolarHBondContact O-CB 3.16Å; K260-L263 PolarHBondContact O-N 3.02Å; K260-E264 WeakPolarHBondContact CE-OE1 3.16Å; K260-E264 WeakPolarHBondContact O-CG 3.18Å; K260-E264 PolarHBondContact O-N 3.02Å
261K71.1Confident75.2Confident106 Ų10683 Ų8346%0.46142%0.417SS..Hα-helixtrans-74.6-28.7178.7-69.3-178.1180-168.80113.1S257 K258 N259 K265S257-K261 WeakPolarHBondContact O-CG 3.23Å; K258-K261 PolarHBondContact O-N 3.28Å; N259-K261 VanDerWaalsContact C-N 3.26Å; N259-K261 PolarHBondContact O-N 3.37Å; K261-K265 VanDerWaalsContact O-CG 3.28Å; K261-K265 WeakPolarHBondContact O-CG 3.29Å; K261-K265 PolarHBondContact O-N 3.44Å; K261-K265 VanDerWaalsContact O-N 3.13Å
262K74.4Confident74.7Confident147 Ų14786.8 Ų86.864%0.63942%0.423SS*.Hα-helixtrans-68-43.5170.6-75.8-171.4174.1-1680110.2K258 N259 K265 A266K258-K262 PolarHBondContact O-N 2.77Å; K258-K262 VanDerWaalsContact O-N 3.1Å; N259-K262 PolarHBondContact O-N 3.39Å; N259-K262 VanDerWaalsContact O-N 3.1Å; K262-K265 WeakPolarHBondContact O-CB 3.44Å; K262-K265 PolarHBondContact O-N 3.45Å; K262-K265 VanDerWaalsContact O-N 3.13Å; K262-A266 PolarHBondContact O-N 3.43Å
263L76.8Confident74.1Confident23 Ų2382.7 Ų82.712%0.1240%0.396CS..Hα-helixtrans-58.2-50173.5-178.469.4000111.8L246 L247 Y250 N259 K260 K265 A266 M267L246-L263 VanDerWaalsContact C-CD1 3.45Å; L246-L263 HydrophobicContact CB-CD1 3.69Å; L246-L263 WeakPolarHBondContact O-CD1 3.39Å; L247-L263 HydrophobicContact CD2-CD2 4.27Å; Y250-L263 HydrophobicContact CD1-CD2 3.76Å; Y250-L263 HydrophobicContact CD2-CD2 4.47Å; Y250-L263 HydrophobicContact CG-CB 4.45Å; Y250-L263 HydrophobicContact CG-CD2 3.71Å; N259-L263 PolarHBondContact O-N 2.87Å; K260-L263 WeakPolarHBondContact O-CB 3.16Å; K260-L263 PolarHBondContact O-N 3.02Å; L263-K265 PolarHBondContact O-N 3.01Å; L263-A266 PolarHBondContact O-N 3.3Å; L263-M267 HydrophobicContact CD1-CE 3.92Å; L263-M267 HydrophobicContact CD2-CE 3.91Å; L263-M267 HydrophobicContact CG-CE 3.84Å; L263-M267 HydrophobicContact CG-SD 4.36Å; L263-M267 WeakPolarHBondContact O-CB 3.47Å; L263-M267 WeakPolarHBondContact O-CG 3.27Å; L263-M267 PolarHBondContact O-N 2.66Å
264E76.3Confident73.7Confident90 Ų9086.6 Ų86.642%0.42140%0.404SS..Hα-helixtrans-58.7-33.4176.5-74.1166.2-171.400112.2K260 K268K260-E264 WeakPolarHBondContact CE-OE1 3.16Å; K260-E264 WeakPolarHBondContact O-CG 3.18Å; K260-E264 PolarHBondContact O-N 3.02Å; E264-K268 VanDerWaalsContact O-CG 3.25Å; E264-K268 WeakPolarHBondContact O-CG 3.49Å; E264-K268 PolarHBondContact O-N 3.4Å
265K74.5Confident73Confident58 Ų5884 Ų8425%0.25239%0.392SS..Hα-helixtrans-70.7-49.6173.6-76.4176.3169.6-151.90111.7K261 K262 L263 M267 K268 V269 L569 A572 P573K261-K265 VanDerWaalsContact O-CG 3.28Å; K261-K265 WeakPolarHBondContact O-CG 3.29Å; K261-K265 PolarHBondContact O-N 3.44Å; K261-K265 VanDerWaalsContact O-N 3.13Å; K262-K265 WeakPolarHBondContact O-CB 3.44Å; K262-K265 PolarHBondContact O-N 3.45Å; K262-K265 VanDerWaalsContact O-N 3.13Å; L263-K265 PolarHBondContact O-N 3.01Å; K265-M267 VanDerWaalsContact C-N 3.34Å; K265-M267 PolarHBondContact O-N 3.25Å; K265-K268 WeakPolarHBondContact O-CB 3.2Å; K265-K268 PolarHBondContact O-N 3.39Å; K265-V269 PolarHBondContact O-N 3.22Å; K265-L569 HydrophobicContact CB-CD2 4.48Å; K265-A572 PolarHBondContact NZ-O 3.03Å; K265-P573 PolarHBondContact NZ-O 3.43Å
266A72.4Confident72.3Confident14 Ų1483.7 Ų83.712%0.11639%0.391CS..Hα-helixtrans-57.2-46.6178.600000111.6L246 K262 L263 K268 V269 L270 L569L246-A266 HydrophobicContact CD1-CB 3.91Å; L246-A266 HydrophobicContact CD2-CB 4.02Å; K262-A266 PolarHBondContact O-N 3.43Å; L263-A266 PolarHBondContact O-N 3.3Å; A266-K268 VanDerWaalsContact C-N 3.29Å; A266-K268 PolarHBondContact O-N 2.87Å; A266-V269 PolarHBondContact O-N 3.2Å; A266-L270 WeakPolarHBondContact O-CB 3.49Å; A266-L270 PolarHBondContact O-N 2.98Å; A266-L569 HydrophobicContact CB-CD2 4.3Å
267M74.4Confident71.1Confident46 Ų4686.5 Ų86.523%0.22740%0.397CS..Hα-helixtrans-60-36.1173.8-73.9-176.3177.800113.1L247 L263 K265 K271L247-M267 HydrophobicContact CD1-CE 3.91Å; L247-M267 HydrophobicContact CD2-CE 3.67Å; L247-M267 HydrophobicContact CG-CE 3.44Å; L247-M267 VanDerWaalsContact CG-CE 3.44Å; L263-M267 HydrophobicContact CD1-CE 3.92Å; L263-M267 HydrophobicContact CD2-CE 3.91Å; L263-M267 HydrophobicContact CG-CE 3.84Å; L263-M267 HydrophobicContact CG-SD 4.36Å; L263-M267 WeakPolarHBondContact O-CB 3.47Å; L263-M267 WeakPolarHBondContact O-CG 3.27Å; L263-M267 PolarHBondContact O-N 2.66Å; K265-M267 VanDerWaalsContact C-N 3.34Å; K265-M267 PolarHBondContact O-N 3.25Å; M267-K271 WeakPolarHBondContact O-CB 3.2Å; M267-K271 VanDerWaalsContact O-CG 3.28Å; M267-K271 WeakPolarHBondContact O-CG 3.37Å; M267-K271 PolarHBondContact O-N 2.81Å
268K73.3Confident70.2Confident114 Ų11489.9 Ų89.950%0.49640%0.403SS..Hα-helixtrans-68.4-43.4177.3-79.4-179.5-177.1-149.90112E264 K265 A266 K271 K272 S586E264-K268 VanDerWaalsContact O-CG 3.25Å; E264-K268 WeakPolarHBondContact O-CG 3.49Å; E264-K268 PolarHBondContact O-N 3.4Å; K265-K268 WeakPolarHBondContact O-CB 3.2Å; K265-K268 PolarHBondContact O-N 3.39Å; A266-K268 VanDerWaalsContact C-N 3.29Å; A266-K268 PolarHBondContact O-N 2.87Å; K268-K271 PolarHBondContact O-N 2.84Å; K268-K272 WeakPolarHBondContact O-CG 3.41Å; K268-K272 PolarHBondContact O-N 3.17Å; K268-S586 PolarHBondContact NZ-OG 3.18Å; K268-S586 VanDerWaalsContact NZ-OG 3.07Å
269V72.7Confident68.9Low17 Ų1788.9 Ų88.910%0.10341%0.41CS..Hα-helixtrans-65.3-45.2176.7-177.50000110K265 A266 K271 K272 Q273 M565 E568 L569K265-V269 PolarHBondContact O-N 3.22Å; A266-V269 PolarHBondContact O-N 3.2Å; V269-K271 VanDerWaalsContact C-N 3.34Å; V269-K271 PolarHBondContact O-N 3.47Å; V269-K272 WeakPolarHBondContact O-CA 3.46Å; V269-K272 WeakPolarHBondContact O-CB 3.22Å; V269-K272 PolarHBondContact O-N 2.89Å; V269-Q273 PolarHBondContact O-N 2.85Å; V269-M565 HydrophobicContact CB-CE 4.3Å; V269-M565 HydrophobicContact CB-SD 4.49Å; V269-M565 HydrophobicContact CG1-CE 3.91Å; V269-M565 HydrophobicContact CG1-SD 3.53Å; V269-M565 VanDerWaalsContact CG1-SD 3.53Å; V269-E568 HydrophobicContact CG1-CB 3.89Å; V269-E568 VanDerWaalsContact CG1-OE2 3.31Å; V269-E568 WeakPolarHBondContact CG1-OE2 3.26Å; V269-L569 HydrophobicContact CB-CD2 4.14Å; V269-L569 HydrophobicContact CB-CG 4.39Å; V269-L569 HydrophobicContact CG2-CD2 3.61Å; V269-L569 HydrophobicContact CG2-CG 4.07Å
270L71.7Confident67.8Low23 Ų2393.3 Ų93.312%0.1243%0.428CS..Hα-helixtrans-57.7-45175.7-165.798.9000111.9P241 A243 A266 K272 Q273 K274 M565P241-L270 WeakPolarHBondContact O-CD1 3.19Å; A243-L270 HydrophobicContact CB-CD2 4.31Å; A266-L270 WeakPolarHBondContact O-CB 3.49Å; A266-L270 PolarHBondContact O-N 2.98Å; L270-K272 VanDerWaalsContact C-N 3.31Å; L270-K272 PolarHBondContact O-N 2.81Å; L270-Q273 PolarHBondContact O-N 2.97Å; L270-K274 HydrophobicContact CD2-CD 4.48Å; L270-K274 WeakPolarHBondContact O-CB 3.2Å; L270-K274 WeakPolarHBondContact O-CG 3.29Å; L270-K274 PolarHBondContact O-N 3.43Å; L270-M565 HydrophobicContact CB-CE 4.25Å; L270-M565 HydrophobicContact CD1-CE 4.09Å
271K73.9Confident66.2Low138 Ų13893.8 Ų93.860%0.644%0.44SS*.Hα-helixtrans-60.9-38.7174.4-79.4-178.6179.5-1690112.1M267 K268 V269 K275M267-K271 WeakPolarHBondContact O-CB 3.2Å; M267-K271 VanDerWaalsContact O-CG 3.28Å; M267-K271 WeakPolarHBondContact O-CG 3.37Å; M267-K271 PolarHBondContact O-N 2.81Å; K268-K271 PolarHBondContact O-N 2.84Å; V269-K271 VanDerWaalsContact C-N 3.34Å; V269-K271 PolarHBondContact O-N 3.47Å; K271-K275 WeakPolarHBondContact O-CB 3.42Å; K271-K275 WeakPolarHBondContact O-CD 3.38Å; K271-K275 WeakPolarHBondContact O-CG 3.33Å; K271-K275 PolarHBondContact O-N 3.47Å; K271-K275 VanDerWaalsContact O-N 3.11Å
272K69Low64.9Low136 Ų13695 Ų9559%0.59145%0.445SS*.Hα-helixtrans-66.1-42.5176.4-74.4-175.7175.3-161.80111.8K268 V269 L270 K275 K276K268-K272 WeakPolarHBondContact O-CG 3.41Å; K268-K272 PolarHBondContact O-N 3.17Å; V269-K272 WeakPolarHBondContact O-CA 3.46Å; V269-K272 WeakPolarHBondContact O-CB 3.22Å; V269-K272 PolarHBondContact O-N 2.89Å; L270-K272 VanDerWaalsContact C-N 3.31Å; L270-K272 PolarHBondContact O-N 2.81Å; K272-K275 WeakPolarHBondContact O-CB 3.49Å; K272-K275 PolarHBondContact O-N 3.22Å; K272-K276 WeakPolarHBondContact O-CG 3.48Å; K272-K276 PolarHBondContact O-N 3.04Å
273Q67.6Low63.6Low32 Ų3293.3 Ų93.315%0.1544%0.443CS..Hα-helixtrans-70.1-43.8178.7-69.3-154.3-5.900113V269 L270 K275 K276 K277 M565 E568V269-Q273 PolarHBondContact O-N 2.85Å; L270-Q273 PolarHBondContact O-N 2.97Å; Q273-K275 PolarHBondContact O-N 2.67Å; Q273-K276 PolarHBondContact O-N 2.93Å; Q273-K276 VanDerWaalsContact O-N 3.09Å; Q273-K277 PolarHBondContact O-N 2.89Å; Q273-M565 HydrophobicContact CB-SD 4.42Å; Q273-M565 HydrophobicContact CG-SD 3.67Å; Q273-M565 PolarHBondContact NE2-SD 3Å; Q273-M565 VanDerWaalsContact OE1-CG 3.31Å; Q273-M565 PolarHBondContact OE1-SD 3.36Å; Q273-E568 PolarHBondContact NE2-OE2 2.86Å
274K68.7Low62.5Low115 Ų11598.9 Ų98.950%0.547%0.467SS..Hα-helixtrans-56.6-33.8171.9-74.2-165.5174.5-1560111.7L270 K278L270-K274 HydrophobicContact CD2-CD 4.48Å; L270-K274 WeakPolarHBondContact O-CB 3.2Å; L270-K274 WeakPolarHBondContact O-CG 3.29Å; L270-K274 PolarHBondContact O-N 3.43Å; K274-K278 PolarHBondContact O-N 2.96Å
275K65.6Low62.1Low128 Ų12896.6 Ų96.656%0.55746%0.461SS*.Hα-helixtrans-72.3-41174.4-73.5172.5179.7-161.20113.3K271 K272 Q273 K277 K278K271-K275 WeakPolarHBondContact O-CB 3.42Å; K271-K275 WeakPolarHBondContact O-CD 3.38Å; K271-K275 WeakPolarHBondContact O-CG 3.33Å; K271-K275 PolarHBondContact O-N 3.47Å; K271-K275 VanDerWaalsContact O-N 3.11Å; K272-K275 WeakPolarHBondContact O-CB 3.49Å; K272-K275 PolarHBondContact O-N 3.22Å; Q273-K275 PolarHBondContact O-N 2.67Å; K275-K277 VanDerWaalsContact C-N 3.28Å; K275-K277 PolarHBondContact O-N 3.32Å; K275-K278 PolarHBondContact O-N 3.48Å
276K63.4Low62.4Low153 Ų15394.2 Ų94.267%0.66545%0.452SS*.Hα-helixtrans-63.2-32.6174.6-72.2177.8178.8177.80112.7K272 Q273 E568K272-K276 WeakPolarHBondContact O-CG 3.48Å; K272-K276 PolarHBondContact O-N 3.04Å; Q273-K276 PolarHBondContact O-N 2.93Å; Q273-K276 VanDerWaalsContact O-N 3.09Å; K276-E568 IonicContact NZ-OE1 2.88Å; K276-E568 PolarHBondContact NZ-OE1 3.15Å; K276-E568 VanDerWaalsContact NZ-OE1 3.08Å
277K55.9Low63Low105 Ų10593.6 Ų93.646%0.45745%0.447SS..THydrogen-bonded Turntrans-80.4-17.3-178.6-84.5-170.7165.8-161.70114.7D238 Q273 K275 P279D238-K277 IonicContact OD2-NZ 3.67Å; D238-K277 PolarHBondContact OD2-NZ 3.03Å; Q273-K277 PolarHBondContact O-N 2.89Å; K275-K277 VanDerWaalsContact C-N 3.28Å; K275-K277 PolarHBondContact O-N 3.32Å; K277-P279 VanDerWaalsContact O-CD 3.26Å; K277-P279 WeakPolarHBondContact O-CD 3.24Å; K277-P279 VanDerWaalsContact O-N 3.1Å
278K53.2Low63.5Low148 Ų14894.2 Ų94.264%0.64345%0.449SS*.SBendtrans-62.3117.8175.9-75.9-169.5176-162.70106.6K274 K275 E280K274-K278 PolarHBondContact O-N 2.96Å; K275-K278 PolarHBondContact O-N 3.48Å; K278-E280 PolarHBondContact O-N 3.37Å
279P44.9Very low64.2Low110 Ų11090 Ų9071%0.71443%0.432SS*.  trans-54.4129.4171.222.7-30.5000106.3K277 V281K277-P279 VanDerWaalsContact O-CD 3.26Å; K277-P279 WeakPolarHBondContact O-CD 3.24Å; K277-P279 VanDerWaalsContact O-N 3.1Å; P279-V281 VanDerWaalsContact C-N 3.33Å; P279-V281 PolarHBondContact O-N 2.94Å
280E47.8Very low65Low150 Ų15089.8 Ų89.870%0.70143%0.43SS*.  trans-57107.1173.6-70.1-173.5168.800105.8K278 F282K278-E280 PolarHBondContact O-N 3.37Å; E280-F282 HydrophobicContact CB-CE1 4.17Å; E280-F282 HydrophobicContact CB-CE2 4.39Å; E280-F282 HydrophobicContact CB-CZ 4.07Å; E280-F282 VanDerWaalsContact O-CD2 3.28Å; E280-F282 WeakPolarHBondContact O-CD2 3.3Å; E280-F282 PolarHBondContact O-N 3.2Å
281V41.9Very low65.8Low116 Ų11695.3 Ų95.370%0.70346%0.455SS*.  trans-68.294.6172.6-1800000103.2P279 N283P279-V281 VanDerWaalsContact C-N 3.33Å; P279-V281 PolarHBondContact O-N 2.94Å; V281-N283 PolarHBondContact O-N 3.29Å
282F44.4Very low66.6Low132 Ų13292.7 Ų92.758%0.57945%0.447SS*.  trans-65.277.4169.1-58.4-73.9000106.5E280 F284E280-F282 HydrophobicContact CB-CE1 4.17Å; E280-F282 HydrophobicContact CB-CE2 4.39Å; E280-F282 HydrophobicContact CB-CZ 4.07Å; E280-F282 VanDerWaalsContact O-CD2 3.28Å; E280-F282 WeakPolarHBondContact O-CD2 3.3Å; E280-F282 PolarHBondContact O-N 3.2Å; F282-F284 PolarHBondContact O-N 3.04Å
283N47.2Very low67.7Low111 Ų11187.3 Ų87.359%0.59443%0.426SS*.  trans-55103.8152.1-74.4-24000103.1V281 S285V281-N283 PolarHBondContact O-N 3.29Å; N283-S285 PolarHBondContact O-N 3.13Å
284F53.5Low68.9Low141 Ų14188 Ų8862%0.61843%0.43SS*.  trans-54.891.1-177.2-77.1-88000108Y188 F282 A286 L289Y188-F284 PolarHBondContact OH-O 3.29Å; F282-F284 PolarHBondContact O-N 3.04Å; F284-A286 PolarHBondContact O-N 2.98Å; F284-L289 HydrophobicContact CB-CD1 4.12Å; F284-L289 HydrophobicContact CB-CD2 4.43Å; F284-L289 HydrophobicContact CB-CG 4.21Å; F284-L289 HydrophobicContact CD1-CD2 3.92Å; F284-L289 HydrophobicContact CD1-CG 4.38Å; F284-L289 HydrophobicContact CG-CD2 4.41Å
285S69.1Low70.1Confident42 Ų4285.4 Ų85.429%0.29442%0.421SS..  trans-56.2140.1171-179.70000105.2N283 I287 H288N283-S285 PolarHBondContact O-N 3.13Å; S285-I287 PolarHBondContact O-N 3.41Å; S285-H288 WeakPolarHBondContact O-CB 3.34Å; S285-H288 PolarHBondContact O-N 3.22Å
286A80.8Confident71.4Confident8 Ų879.7 Ų79.77%0.06640%0.396CS..THydrogen-bonded Turntrans-53.3-24.1178.800000111.5Y188 V199 F220 F221 F284 L289Y188-A286 HydrophobicContact CE1-CB 4.32Å; Y188-A286 WeakPolarHBondContact OH-CA 3.27Å; Y188-A286 PolarHBondContact OH-N 3.41Å; V199-A286 HydrophobicContact CG1-CB 4.41Å; V199-A286 WeakPolarHBondContact CG1-O 3.45Å; V199-A286 HydrophobicContact CG2-CB 4.25Å; F220-A286 HydrophobicContact CD1-CB 4.48Å; F220-A286 HydrophobicContact CE1-CB 3.55Å; F220-A286 HydrophobicContact CZ-CB 3.6Å; F221-A286 HydrophobicContact CD1-CB 4Å; F221-A286 HydrophobicContact CE1-CB 4.05Å; F284-A286 PolarHBondContact O-N 2.98Å; A286-L289 PolarHBondContact O-N 3.37Å
287I84.9Confident72.9Confident1 Ų172.4 Ų72.41%0.00537%0.365CS..THydrogen-bonded Turntrans-64.2-36.2176-59.7177000112.7F221 S285 L289 R323 L324 I327 H328F221-I287 HydrophobicContact CD1-CG1 4.36Å; S285-I287 PolarHBondContact O-N 3.41Å; I287-L289 VanDerWaalsContact C-N 3.29Å; I287-L289 PolarHBondContact O-N 2.93Å; I287-R323 HydrophobicContact CD1-CB 4.08Å; I287-L324 HydrophobicContact CG2-CD2 3.78Å; I287-I327 HydrophobicContact CB-CD1 4.34Å; I287-I327 HydrophobicContact CD1-CD1 3.96Å; I287-I327 HydrophobicContact CG2-CB 4.49Å; I287-I327 HydrophobicContact CG2-CD1 3.88Å; I287-I327 HydrophobicContact CG2-CG2 4.37Å; I287-H328 PolarHBondContact O-NE2 3.29Å
288H84.6Confident74.7Confident58 Ų5872.1 Ų72.127%0.26937%0.365SS..THydrogen-bonded Turntrans-73.6-20.8179.9-71-57.7000113.4S285 I290 I327 E593S285-H288 WeakPolarHBondContact O-CB 3.34Å; S285-H288 PolarHBondContact O-N 3.22Å; H288-I290 VanDerWaalsContact C-N 3.34Å; H288-I327 WeakPolarHBondContact CE1-CG2 3.46Å; H288-E593 IonicContact CE1-OE1 3.7Å; H288-E593 PolarHBondContact CE1-OE1 3.41Å; H288-E593 IonicContact NE2-OE1 3.11Å; H288-E593 PolarHBondContact NE2-OE1 2.98Å; H288-E593 IonicContact NE2-OE2 3.81Å; H288-E593 PolarHBondContact NE2-OE2 3.49Å
289L86.9Confident76.6Confident27 Ų2770 Ų7014%0.14136%0.355CS..THydrogen-bonded Turntrans-91.46.7-175.9-69.4172.8000113.5Y188 A196 V199 N200 F284 A286 I287Y188-L289 HydrophobicContact CE2-CD1 4.3Å; A196-L289 HydrophobicContact CB-CB 4.47Å; A196-L289 HydrophobicContact CB-CD2 4.43Å; V199-L289 HydrophobicContact CB-CB 4.12Å; V199-L289 HydrophobicContact CG1-CB 4.16Å; V199-L289 HydrophobicContact CG2-CB 3.89Å; V199-L289 HydrophobicContact CG2-CD1 3.96Å; N200-L289 PolarHBondContact ND2-O 2.95Å; F284-L289 HydrophobicContact CB-CD1 4.12Å; F284-L289 HydrophobicContact CB-CD2 4.43Å; F284-L289 HydrophobicContact CB-CG 4.21Å; F284-L289 HydrophobicContact CD1-CD2 3.92Å; F284-L289 HydrophobicContact CD1-CG 4.38Å; F284-L289 HydrophobicContact CG-CD2 4.41Å; A286-L289 PolarHBondContact O-N 3.37Å; I287-L289 VanDerWaalsContact C-N 3.29Å; I287-L289 PolarHBondContact O-N 2.93Å
290I89.5Confident78.9Confident12 Ų1264.7 Ų64.76%0.06232%0.321CS..  trans-78.5133178.7-61.5173.2000109.2V199 T203 F221 H288 P293 F296 L324V199-I290 HydrophobicContact CG1-CG1 3.95Å; T203-I290 HydrophobicContact CG2-CD1 4.28Å; T203-I290 HydrophobicContact CG2-CG1 4.11Å; T203-I290 HydrophobicContact CG2-CG2 4.45Å; F221-I290 HydrophobicContact CE1-CD1 4.02Å; F221-I290 HydrophobicContact CE1-CG1 4.32Å; H288-I290 VanDerWaalsContact C-N 3.34Å; I290-P293 HydrophobicContact CG2-CB 4.39Å; I290-F296 HydrophobicContact CD1-CD1 4.04Å; I290-F296 HydrophobicContact CD1-CE1 4.06Å; I290-F296 HydrophobicContact CG2-CD1 4.47Å; I290-L324 HydrophobicContact CD1-CD2 3.73Å
291H88.4Confident81Confident139 Ų13958.1 Ų58.164%0.64429%0.291SS*.SBendtrans-73.6-41.3-176.4-69174.7000113.5N200N200-H291 PolarHBondContact ND2-CD2 3.45Å; N200-H291 PolarHBondContact ND2-NE2 3.1Å; N200-H291 PolarHBondContact OD1-N 3.36Å
292D92.1Very high83.5Confident83 Ų8359.9 Ų59.944%0.44429%0.289SS..  trans-13287.4178.1-173-14.1000109.3Q294 D295 F296D292-Q294 VanDerWaalsContact C-N 3.31Å; D292-Q294 PolarHBondContact OD1-N 3.05Å; D292-D295 HydrophobicContact CB-CB 4.5Å; D292-D295 PolarHBondContact OD1-N 3.44Å; D292-D295 VanDerWaalsContact OD2-CB 3.28Å; D292-D295 WeakPolarHBondContact OD2-CB 3.45Å; D292-F296 VanDerWaalsContact O-CB 3.23Å; D292-F296 WeakPolarHBondContact O-CB 3.34Å; D292-F296 PolarHBondContact O-N 3.13Å
293P91.1Very high85.7Confident23 Ų2355.7 Ų55.715%0.14927%0.271CS..Hα-helixtrans-70.3-27.3-178.227.4-33.6000112.8I290 A297 H328 L330I290-P293 HydrophobicContact CG2-CB 4.39Å; P293-A297 VanDerWaalsContact O-CB 3.32Å; P293-A297 WeakPolarHBondContact O-CB 3.43Å; P293-A297 PolarHBondContact O-N 2.72Å; P293-H328 HydrophobicContact CB-CB 4.24Å; P293-H328 HydrophobicContact CG-CB 4.15Å; P293-L330 HydrophobicContact CB-CD1 4.28Å; P293-L330 HydrophobicContact CB-CD2 4.18Å; P293-L330 HydrophobicContact CG-CD2 4.14Å; P293-L330 WeakPolarHBondContact O-CD1 3.35Å
294Q92.6Very high87.7Confident47 Ų4750.5 Ų50.522%0.2224%0.243CC..Hα-helixtrans-70.3-56.9-178.8-179.868.629.800111D292 F296 A297 E298 L330 F331D292-Q294 VanDerWaalsContact C-N 3.31Å; D292-Q294 PolarHBondContact OD1-N 3.05Å; Q294-F296 PolarHBondContact O-N 2.6Å; Q294-A297 PolarHBondContact O-N 3.15Å; Q294-A297 VanDerWaalsContact O-N 3.13Å; Q294-E298 PolarHBondContact NE2-OE1 3.08Å; Q294-E298 PolarHBondContact O-N 2.9Å; Q294-L330 HydrophobicContact CB-CD2 4.16Å; Q294-L330 VanDerWaalsContact OE1-CB 3.31Å; Q294-F331 PolarHBondContact NE2-O 3.46Å
295D93.9Very high89.5Confident59 Ų5948.7 Ų48.732%0.31624%0.237SC..Hα-helixtrans-61.8-35.9178.817647.3000111.1D292 E298 K299D292-D295 HydrophobicContact CB-CB 4.5Å; D292-D295 PolarHBondContact OD1-N 3.44Å; D292-D295 VanDerWaalsContact OD2-CB 3.28Å; D292-D295 WeakPolarHBondContact OD2-CB 3.45Å; D295-E298 PolarHBondContact O-N 3.32Å; D295-K299 VanDerWaalsContact CG-NZ 3.35Å; D295-K299 WeakPolarHBondContact O-CB 3.32Å; D295-K299 VanDerWaalsContact O-CG 3.32Å; D295-K299 WeakPolarHBondContact O-CG 3.48Å; D295-K299 PolarHBondContact O-N 3.07Å; D295-K299 WeakPolarHBondContact OD1-CE 3.42Å; D295-K299 IonicContact OD1-NZ 2.74Å; D295-K299 PolarHBondContact OD1-NZ 2.99Å; D295-K299 WeakPolarHBondContact OD2-CE 3.49Å; D295-K299 IonicContact OD2-NZ 3.2Å; D295-K299 PolarHBondContact OD2-NZ 2.83Å
296F93.6Very high90.3Very high9 Ų951.5 Ų51.54%0.03926%0.256CS..Hα-helixtrans-60.4-48.5173.9-178-128000112T203 C206 F207 I290 D292 Q294 K299 L300 L320 L324T203-F296 HydrophobicContact CG2-CD1 4.44Å; T203-F296 HydrophobicContact CG2-CD2 4.47Å; T203-F296 HydrophobicContact CG2-CE1 4.06Å; T203-F296 HydrophobicContact CG2-CE2 4.14Å; T203-F296 HydrophobicContact CG2-CZ 3.9Å; C206-F296 HydrophobicContact CB-CE2 4.16Å; C206-F296 HydrophobicContact CB-CZ 4.19Å; F207-F296 AromaticContact CE2-CD2 3.57Å; F207-F296 HydrophobicContact CE2-CD2 3.57Å; F207-F296 AromaticContact CE2-CE2 3.55Å; F207-F296 HydrophobicContact CE2-CE2 3.55Å; F207-F296 AromaticContact CZ-CD2 3.46Å; F207-F296 HydrophobicContact CZ-CD2 3.46Å; F207-F296 VanDerWaalsContact CZ-CD2 3.46Å; F207-F296 AromaticContact CZ-CE2 3.58Å; F207-F296 HydrophobicContact CZ-CE2 3.58Å; I290-F296 HydrophobicContact CD1-CD1 4.04Å; I290-F296 HydrophobicContact CD1-CE1 4.06Å; I290-F296 HydrophobicContact CG2-CD1 4.47Å; D292-F296 VanDerWaalsContact O-CB 3.23Å; D292-F296 WeakPolarHBondContact O-CB 3.34Å; D292-F296 PolarHBondContact O-N 3.13Å; Q294-F296 PolarHBondContact O-N 2.6Å; F296-K299 PolarHBondContact O-N 3.43Å; F296-L300 HydrophobicContact CD1-CD1 4.07Å; F296-L300 HydrophobicContact CD2-CD1 4.32Å; F296-L300 HydrophobicContact CD2-CG 4.31Å; F296-L300 HydrophobicContact CE1-CD1 3.68Å; F296-L300 HydrophobicContact CE2-CD1 3.92Å; F296-L300 HydrophobicContact CE2-CD2 4.2Å; F296-L300 HydrophobicContact CE2-CG 4Å; F296-L300 HydrophobicContact CG-CD1 4.38Å; F296-L300 HydrophobicContact CZ-CD1 3.6Å; F296-L300 HydrophobicContact CZ-CD2 4.38Å; F296-L300 HydrophobicContact CZ-CG 4.18Å; F296-L300 WeakPolarHBondContact O-CB 3.46Å; F296-L300 VanDerWaalsContact O-CG 3.28Å; F296-L300 WeakPolarHBondContact O-CG 3.38Å; F296-L300 PolarHBondContact O-N 3.04Å; F296-L320 HydrophobicContact CE1-CD2 4.42Å; F296-L320 HydrophobicContact CZ-CD2 4.41Å; F296-L324 HydrophobicContact CD1-CD1 3.65Å; F296-L324 HydrophobicContact CD1-CD2 4.3Å; F296-L324 HydrophobicContact CE1-CD1 3.77Å
297A94.1Very high90.4Very high0 Ų051.9 Ų51.90%026%0.258CS..Hα-helixtrans-65-41.2179.200000112.3P293 Q294 L300 L301 L324 L330 L332P293-A297 VanDerWaalsContact O-CB 3.32Å; P293-A297 WeakPolarHBondContact O-CB 3.43Å; P293-A297 PolarHBondContact O-N 2.72Å; Q294-A297 PolarHBondContact O-N 3.15Å; Q294-A297 VanDerWaalsContact O-N 3.13Å; A297-L300 PolarHBondContact O-N 2.76Å; A297-L301 PolarHBondContact O-N 2.89Å; A297-L324 HydrophobicContact CB-CD1 4.36Å; A297-L330 HydrophobicContact CB-CD1 3.74Å; A297-L332 HydrophobicContact CB-CD1 3.68Å; A297-L332 HydrophobicContact CB-CD2 3.86Å; A297-L332 HydrophobicContact CB-CG 4.45Å
298E93.7Very high90.4Very high99 Ų9961.8 Ų61.846%0.46330%0.301SS..Hα-helixtrans-62.8-44.9177.3-73.3-178-166.200112.2Q294 D295 L300 L301 K302 L332Q294-E298 PolarHBondContact NE2-OE1 3.08Å; Q294-E298 PolarHBondContact O-N 2.9Å; D295-E298 PolarHBondContact O-N 3.32Å; E298-L300 VanDerWaalsContact C-N 3.33Å; E298-L300 PolarHBondContact O-N 3.07Å; E298-L301 PolarHBondContact O-N 2.95Å; E298-K302 PolarHBondContact O-N 3.2Å; E298-L332 HydrophobicContact CG-CG 4.42Å
299K93.6Very high90.4Very high102 Ų10262.1 Ų62.144%0.44330%0.302SS..Hα-helixtrans-62-41175-75.1170173.8162.30111.8F207 D295 F296 K302 Q303F207-K299 HydrophobicContact CD1-CB 4.49Å; F207-K299 HydrophobicContact CE1-CB 3.48Å; F207-K299 VanDerWaalsContact CE1-CB 3.48Å; F207-K299 HydrophobicContact CZ-CB 3.58Å; F207-K299 HydrophobicContact CZ-CD 4.35Å; D295-K299 VanDerWaalsContact CG-NZ 3.35Å; D295-K299 WeakPolarHBondContact O-CB 3.32Å; D295-K299 VanDerWaalsContact O-CG 3.32Å; D295-K299 WeakPolarHBondContact O-CG 3.48Å; D295-K299 PolarHBondContact O-N 3.07Å; D295-K299 WeakPolarHBondContact OD1-CE 3.42Å; D295-K299 IonicContact OD1-NZ 2.74Å; D295-K299 PolarHBondContact OD1-NZ 2.99Å; D295-K299 WeakPolarHBondContact OD2-CE 3.49Å; D295-K299 IonicContact OD2-NZ 3.2Å; D295-K299 PolarHBondContact OD2-NZ 2.83Å; F296-K299 PolarHBondContact O-N 3.43Å; K299-K302 PolarHBondContact O-N 3.13Å; K299-Q303 PolarHBondContact O-N 2.86Å
300L93.1Very high90.5Very high0 Ų070.2 Ų70.20%033%0.331CS..Hα-helixtrans-64-40.5175.8-74.7176.8000111.8C206 F207 F296 A297 E298 Q303 L304 L317 L320 I321 L324C206-L300 HydrophobicContact CB-CD2 4.09Å; F207-L300 HydrophobicContact CE1-CD2 3.83Å; F207-L300 HydrophobicContact CE1-CG 4.11Å; F207-L300 HydrophobicContact CZ-CD2 4.13Å; F207-L300 HydrophobicContact CZ-CG 4.15Å; F296-L300 HydrophobicContact CD1-CD1 4.07Å; F296-L300 HydrophobicContact CD2-CD1 4.32Å; F296-L300 HydrophobicContact CD2-CG 4.31Å; F296-L300 HydrophobicContact CE1-CD1 3.68Å; F296-L300 HydrophobicContact CE2-CD1 3.92Å; F296-L300 HydrophobicContact CE2-CD2 4.2Å; F296-L300 HydrophobicContact CE2-CG 4Å; F296-L300 HydrophobicContact CG-CD1 4.38Å; F296-L300 HydrophobicContact CZ-CD1 3.6Å; F296-L300 HydrophobicContact CZ-CD2 4.38Å; F296-L300 HydrophobicContact CZ-CG 4.18Å; F296-L300 WeakPolarHBondContact O-CB 3.46Å; F296-L300 VanDerWaalsContact O-CG 3.28Å; F296-L300 WeakPolarHBondContact O-CG 3.38Å; F296-L300 PolarHBondContact O-N 3.04Å; A297-L300 PolarHBondContact O-N 2.76Å; E298-L300 VanDerWaalsContact C-N 3.33Å; E298-L300 PolarHBondContact O-N 3.07Å; L300-Q303 PolarHBondContact O-N 3.42Å; L300-L304 WeakPolarHBondContact O-CB 3.45Å; L300-L304 PolarHBondContact O-N 3.1Å; L300-L317 HydrophobicContact CD2-CD2 3.94Å; L300-L320 HydrophobicContact CD1-CD2 3.91Å; L300-L320 HydrophobicContact CD1-CG 4.29Å; L300-I321 HydrophobicContact CB-CD1 4.03Å; L300-I321 HydrophobicContact CB-CG1 3.93Å; L300-I321 HydrophobicContact CD1-CG1 4.37Å; L300-L324 HydrophobicContact CD1-CD1 4Å
301L93Very high90.5Very high12 Ų1272 Ų726%0.06334%0.338CS..Hα-helixtrans-63-46.3176.4-179.361.1000111.2A297 E298 Q303 L304 E305 I321 L332 N334 F335A297-L301 PolarHBondContact O-N 2.89Å; E298-L301 PolarHBondContact O-N 2.95Å; L301-Q303 VanDerWaalsContact C-N 3.29Å; L301-Q303 PolarHBondContact O-N 3.21Å; L301-L304 HydrophobicContact CD1-CD2 4.4Å; L301-L304 WeakPolarHBondContact O-CA 3.48Å; L301-L304 WeakPolarHBondContact O-CB 3.4Å; L301-L304 PolarHBondContact O-N 2.99Å; L301-E305 WeakPolarHBondContact O-CG 3.39Å; L301-E305 PolarHBondContact O-N 2.8Å; L301-I321 HydrophobicContact CB-CD1 4.39Å; L301-L332 HydrophobicContact CB-CD2 4.14Å; L301-L332 HydrophobicContact CD2-CD2 4.06Å; L301-N334 HydrophobicContact CD2-CB 3.93Å; L301-F335 HydrophobicContact CD1-CB 4.47Å; L301-F335 HydrophobicContact CD1-CD2 3.93Å; L301-F335 HydrophobicContact CD2-CB 4.35Å
302K93.1Very high90.6Very high152 Ų15269.9 Ų69.966%0.66133%0.329SS*.Hα-helixtrans-59.4-40.8176-172.3173.9-175.8172.30112E298 K299 C306E298-K302 PolarHBondContact O-N 3.2Å; K299-K302 PolarHBondContact O-N 3.13Å; K302-C306 PolarHBondContact O-N 2.78Å
303Q90.3Very high90.5Very high45 Ų4566.5 Ų66.521%0.2131%0.311CS..Hα-helixtrans-63.8-42.4173.5-179.8173.7-34.800111.5C206 F207 K299 L300 L301 E305 C306 C307C206-Q303 PolarHBondContact O-NE2 2.96Å; C206-Q303 PolarHBondContact O-OE1 3.34Å; F207-Q303 VanDerWaalsContact CD1-OE1 3.26Å; K299-Q303 PolarHBondContact O-N 2.86Å; L300-Q303 PolarHBondContact O-N 3.42Å; L301-Q303 VanDerWaalsContact C-N 3.29Å; L301-Q303 PolarHBondContact O-N 3.21Å; Q303-E305 PolarHBondContact O-N 2.91Å; Q303-C306 CarbonylContact O-C 3.54Å; Q303-C306 PolarHBondContact O-N 2.83Å; Q303-C307 WeakPolarHBondContact O-CA 3.45Å; Q303-C307 VanDerWaalsContact O-CB 3.22Å; Q303-C307 WeakPolarHBondContact O-CB 3.36Å; Q303-C307 PolarHBondContact O-N 3.28Å
304L90.6Very high90.5Very high1 Ų167.6 Ų67.61%0.00531%0.313CS..Hα-helixtrans-61.4-41.4179.117861.9000112.4L300 L301 C307 K314 L317 M318 I321 F338L300-L304 WeakPolarHBondContact O-CB 3.45Å; L300-L304 PolarHBondContact O-N 3.1Å; L301-L304 HydrophobicContact CD1-CD2 4.4Å; L301-L304 WeakPolarHBondContact O-CA 3.48Å; L301-L304 WeakPolarHBondContact O-CB 3.4Å; L301-L304 PolarHBondContact O-N 2.99Å; L304-C307 WeakPolarHBondContact O-CB 3.02Å; L304-C307 PolarHBondContact O-N 3.3Å; L304-K314 HydrophobicContact CD1-CB 3.91Å; L304-K314 HydrophobicContact CD1-CG 4.18Å; L304-L317 HydrophobicContact CD1-CB 3.98Å; L304-L317 HydrophobicContact CD1-CD1 4.1Å; L304-M318 HydrophobicContact CD1-CE 4.33Å; L304-M318 HydrophobicContact CD1-CG 4.4Å; L304-M318 HydrophobicContact CD2-CG 3.65Å; L304-I321 HydrophobicContact CD2-CD1 3.94Å; L304-F338 HydrophobicContact CD1-CE1 4.45Å; L304-F338 HydrophobicContact CD1-CZ 4.29Å; L304-F338 HydrophobicContact CD2-CD1 4.18Å; L304-F338 HydrophobicContact CD2-CE1 3.56Å; L304-F338 HydrophobicContact CD2-CZ 4Å; L304-F338 HydrophobicContact CG-CE1 3.86Å; L304-F338 HydrophobicContact CG-CZ 3.74Å
305E89.6Confident90.4Very high104 Ų10466 Ų6649%0.48631%0.306SS..Hα-helixtrans-62.4-42.2177.1-71.5179.2164.900112.3L301 Q303 C307 F338L301-E305 WeakPolarHBondContact O-CG 3.39Å; L301-E305 PolarHBondContact O-N 2.8Å; Q303-E305 PolarHBondContact O-N 2.91Å; E305-C307 VanDerWaalsContact C-N 3.34Å; E305-F338 HydrophobicContact CG-CD2 4.28Å; E305-F338 HydrophobicContact CG-CE2 4.4Å
306C86.9Confident90.2Very high101 Ų10165 Ų6568%0.68230%0.3SS*.Hα-helixtrans-84.8-5.8178.9-70.80000113.8K302 Q303 K308K302-C306 PolarHBondContact O-N 2.78Å; Q303-C306 CarbonylContact O-C 3.54Å; Q303-C306 PolarHBondContact O-N 2.83Å; C306-K308 PolarHBondContact O-N 3.03Å
307C82.7Confident90.2Very high16 Ų1664.6 Ų64.611%0.10830%0.298CS..  trans-69.1121.8-170.4-167.80000111.8Q303 L304 E305 E309 K314Q303-C307 WeakPolarHBondContact O-CA 3.45Å; Q303-C307 VanDerWaalsContact O-CB 3.22Å; Q303-C307 WeakPolarHBondContact O-CB 3.36Å; Q303-C307 PolarHBondContact O-N 3.28Å; L304-C307 WeakPolarHBondContact O-CB 3.02Å; L304-C307 PolarHBondContact O-N 3.3Å; E305-C307 VanDerWaalsContact C-N 3.34Å; C307-E309 WeakPolarHBondContact SG-CB 3.31Å; C307-E309 VanDerWaalsContact SG-CG 3.59Å; C307-K314 WeakPolarHBondContact O-CE 3.44Å; C307-K314 PolarHBondContact O-NZ 2.96Å
308K84.5Confident90.1Very high209 Ų20964.6 Ų64.691%0.90930%0.298SS*.  trans-95.54.3173.3-64.2-175.5-178.7-179.70113.5C306C306-K308 PolarHBondContact O-N 3.03Å
309E85.8Confident90Very high64 Ų6461.1 Ų61.130%0.29928%0.283SS..SBendtrans-69.7169.5-177.8-66.1-73.2-175.900112.9T211 C307 V313 K314T211-E309 HydrophobicContact CG2-CG 4.49Å; T211-E309 PolarHBondContact OG1-OE1 3.01Å; C307-E309 WeakPolarHBondContact SG-CB 3.31Å; C307-E309 VanDerWaalsContact SG-CG 3.59Å; E309-V313 HydrophobicContact CB-CB 4.15Å; E309-V313 HydrophobicContact CB-CG1 4.36Å; E309-K314 WeakPolarHBondContact O-CE 3.35Å
310R88.9Confident89.9Confident198 Ų19856.3 Ų56.375%0.74726%0.262SS*.  trans-53.6147.2173.7-64.7-176.8180-177-0.6111.3E312 V313 K314R310-E312 PolarHBondContact O-N 3.21Å; R310-E312 VanDerWaalsContact O-N 3.13Å; R310-V313 PolarHBondContact O-N 3.42Å; R310-K314 PolarHBondContact O-N 3.22Å
311F88.9Confident89.8Confident48 Ų4856.3 Ų56.321%0.21126%0.262CS..Hα-helixtrans-56.5-32.5-178.1-169.9-108.3000113.6V313 K314 M315 F342 I353F311-V313 VanDerWaalsContact C-N 3.35Å; F311-V313 PolarHBondContact O-N 3.35Å; F311-K314 WeakPolarHBondContact O-CB 3.34Å; F311-K314 PolarHBondContact O-N 3.25Å; F311-K314 VanDerWaalsContact O-N 3.16Å; F311-M315 HydrophobicContact CD1-CE 3.91Å; F311-M315 HydrophobicContact CD1-CG 4Å; F311-M315 HydrophobicContact CD1-SD 3.95Å; F311-M315 HydrophobicContact CE1-CE 4.14Å; F311-M315 HydrophobicContact CE1-CG 3.68Å; F311-M315 HydrophobicContact CE1-SD 3.55Å; F311-M315 VanDerWaalsContact CE1-SD 3.55Å; F311-M315 HydrophobicContact CZ-CG 4.12Å; F311-M315 HydrophobicContact CZ-SD 4.42Å; F311-M315 WeakPolarHBondContact O-CG 3.19Å; F311-M315 PolarHBondContact O-N 2.74Å; F311-F342 HydrophobicContact CE2-CD1 4.04Å; F311-F342 HydrophobicContact CE2-CE1 4.01Å; F311-F342 HydrophobicContact CZ-CD1 4.47Å; F311-I353 HydrophobicContact CZ-CD1 3.99Å
312E89.6Confident89.8Confident95 Ų9555.7 Ų55.744%0.44426%0.259SS..Hα-helixtrans-60-41.1176-67.9171.1-176.400112.8R310 M315 M316 R348R310-E312 PolarHBondContact O-N 3.21Å; R310-E312 VanDerWaalsContact O-N 3.13Å; E312-M315 HydrophobicContact CB-CE 4.47Å; E312-M315 HydrophobicContact CG-CE 4.13Å; E312-M315 PolarHBondContact O-N 3Å; E312-M316 WeakPolarHBondContact O-CG 3.46Å; E312-M316 PolarHBondContact O-N 3.21Å; E312-R348 IonicContact OE1-CZ 3.97Å; E312-R348 IonicContact OE1-NH1 3.59Å; E312-R348 IonicContact OE1-NH2 3.48Å; E312-R348 PolarHBondContact OE1-NH2 3.37Å
313V90.6Very high89.6Confident12 Ų1250.1 Ų50.17%0.07323%0.234CC..Hα-helixtrans-68.9-37.5176.3-176.90000110.5T211 L214 V215 L218 E309 R310 F311 M315 M316 L317T211-V313 HydrophobicContact CG2-CG2 4.12Å; L214-V313 HydrophobicContact CD2-CG1 3.67Å; L214-V313 HydrophobicContact CG-CG1 4.34Å; V215-V313 HydrophobicContact CG2-CG2 3.99Å; L218-V313 HydrophobicContact CD1-CG1 4.41Å; E309-V313 HydrophobicContact CB-CB 4.15Å; E309-V313 HydrophobicContact CB-CG1 4.36Å; R310-V313 PolarHBondContact O-N 3.42Å; F311-V313 VanDerWaalsContact C-N 3.35Å; F311-V313 PolarHBondContact O-N 3.35Å; V313-M315 VanDerWaalsContact C-N 3.34Å; V313-M315 PolarHBondContact O-N 2.93Å; V313-M316 PolarHBondContact O-N 3.01Å; V313-L317 PolarHBondContact O-N 3.02Å
314K90.9Very high89.6Confident47 Ų4748 Ų4820%0.20422%0.224CC..Hα-helixtrans-61.8-42.1173.5-61.8-171.3178.7-164.40111.6L304 C307 E309 R310 F311 M316 L317 M318L304-K314 HydrophobicContact CD1-CB 3.91Å; L304-K314 HydrophobicContact CD1-CG 4.18Å; C307-K314 WeakPolarHBondContact O-CE 3.44Å; C307-K314 PolarHBondContact O-NZ 2.96Å; E309-K314 WeakPolarHBondContact O-CE 3.35Å; R310-K314 PolarHBondContact O-N 3.22Å; F311-K314 WeakPolarHBondContact O-CB 3.34Å; F311-K314 PolarHBondContact O-N 3.25Å; F311-K314 VanDerWaalsContact O-N 3.16Å; K314-M316 VanDerWaalsContact C-N 3.35Å; K314-M316 PolarHBondContact O-N 3.27Å; K314-L317 WeakPolarHBondContact O-CB 3.21Å; K314-L317 PolarHBondContact O-N 3.36Å; K314-M318 HydrophobicContact CB-CE 4.03Å; K314-M318 VanDerWaalsContact O-CG 3.32Å; K314-M318 WeakPolarHBondContact O-CG 3.28Å; K314-M318 PolarHBondContact O-N 3.17Å
315M90.9Very high89.6Confident12 Ų1248 Ų486%0.05922%0.223CC..Hα-helixtrans-63.4-39.5175.3-72-168.6-66.900112.2F311 E312 V313 L317 M318 N319 E349 F356F311-M315 HydrophobicContact CD1-CE 3.91Å; F311-M315 HydrophobicContact CD1-CG 4Å; F311-M315 HydrophobicContact CD1-SD 3.95Å; F311-M315 HydrophobicContact CE1-CE 4.14Å; F311-M315 HydrophobicContact CE1-CG 3.68Å; F311-M315 HydrophobicContact CE1-SD 3.55Å; F311-M315 VanDerWaalsContact CE1-SD 3.55Å; F311-M315 HydrophobicContact CZ-CG 4.12Å; F311-M315 HydrophobicContact CZ-SD 4.42Å; F311-M315 WeakPolarHBondContact O-CG 3.19Å; F311-M315 PolarHBondContact O-N 2.74Å; E312-M315 HydrophobicContact CB-CE 4.47Å; E312-M315 HydrophobicContact CG-CE 4.13Å; E312-M315 PolarHBondContact O-N 3Å; V313-M315 VanDerWaalsContact C-N 3.34Å; V313-M315 PolarHBondContact O-N 2.93Å; M315-L317 VanDerWaalsContact C-N 3.33Å; M315-L317 PolarHBondContact O-N 3.35Å; M315-M318 PolarHBondContact O-N 3.21Å; M315-N319 WeakPolarHBondContact O-CB 3.23Å; M315-N319 PolarHBondContact O-N 2.97Å; M315-E349 HydrophobicContact CE-CB 4.48Å; M315-E349 VanDerWaalsContact CE-OE2 3.28Å; M315-E349 WeakPolarHBondContact CE-OE2 3.23Å; M315-E349 HydrophobicContact SD-CB 3.88Å; M315-F356 HydrophobicContact CB-CE2 4.41Å
316M90.3Very high89.4Confident40 Ų4044.4 Ų44.420%0.19722%0.215CC..Hα-helixtrans-62.2-40.7174.9-69.6178.274.500112.2V215 L218 T219 L222 E312 V313 K314 N319 L320V215-M316 HydrophobicContact CG1-CE 4.27Å; V215-M316 HydrophobicContact CG1-SD 4.37Å; L218-M316 HydrophobicContact CB-CB 4.38Å; L218-M316 HydrophobicContact CB-CE 3.65Å; L218-M316 HydrophobicContact CD1-CB 3.93Å; T219-M316 HydrophobicContact CG2-CE 3.47Å; T219-M316 VanDerWaalsContact CG2-CE 3.47Å; L222-M316 HydrophobicContact CD1-CB 4.05Å; L222-M316 HydrophobicContact CD1-CE 4.12Å; L222-M316 HydrophobicContact CD1-CG 4.18Å; E312-M316 WeakPolarHBondContact O-CG 3.46Å; E312-M316 PolarHBondContact O-N 3.21Å; V313-M316 PolarHBondContact O-N 3.01Å; K314-M316 VanDerWaalsContact C-N 3.35Å; K314-M316 PolarHBondContact O-N 3.27Å; M316-N319 PolarHBondContact O-N 2.97Å; M316-L320 PolarHBondContact O-N 3.21Å
317L92.1Very high89.4Confident0 Ų040.9 Ų40.90%019%0.189CC..Hα-helixtrans-64.1-47.4174.2-76.4166.3000111.7L218 L300 L304 V313 K314 M315 N319 L320 I321L218-L317 HydrophobicContact CD1-CD2 3.98Å; L218-L317 HydrophobicContact CD1-CG 3.9Å; L218-L317 HydrophobicContact CD2-CD2 3.78Å; L218-L317 HydrophobicContact CD2-CG 4.45Å; L218-L317 HydrophobicContact CG-CD2 4.49Å; L300-L317 HydrophobicContact CD2-CD2 3.94Å; L304-L317 HydrophobicContact CD1-CB 3.98Å; L304-L317 HydrophobicContact CD1-CD1 4.1Å; V313-L317 PolarHBondContact O-N 3.02Å; K314-L317 WeakPolarHBondContact O-CB 3.21Å; K314-L317 PolarHBondContact O-N 3.36Å; M315-L317 VanDerWaalsContact C-N 3.33Å; M315-L317 PolarHBondContact O-N 3.35Å; L317-N319 VanDerWaalsContact C-N 3.29Å; L317-N319 PolarHBondContact O-N 2.85Å; L317-L320 PolarHBondContact O-N 3.37Å; L317-I321 VanDerWaalsContact O-CG1 3.3Å; L317-I321 WeakPolarHBondContact O-CG1 3.44Å; L317-I321 PolarHBondContact O-N 3.32Å
318M92.8Very high89.6Confident0 Ų042.8 Ų42.80%020%0.196CC..Hα-helixtrans-58.4-42.5176.5-69.1178.9-146.300111.7L304 K314 M315 I321 S322 F335 F338 L339 F342 F356L304-M318 HydrophobicContact CD1-CE 4.33Å; L304-M318 HydrophobicContact CD1-CG 4.4Å; L304-M318 HydrophobicContact CD2-CG 3.65Å; K314-M318 HydrophobicContact CB-CE 4.03Å; K314-M318 VanDerWaalsContact O-CG 3.32Å; K314-M318 WeakPolarHBondContact O-CG 3.28Å; K314-M318 PolarHBondContact O-N 3.17Å; M315-M318 PolarHBondContact O-N 3.21Å; M318-I321 PolarHBondContact O-N 3.44Å; M318-S322 WeakPolarHBondContact O-CB 3.48Å; M318-S322 PolarHBondContact O-N 3.46Å; M318-S322 PolarHBondContact O-OG 2.73Å; M318-S322 VanDerWaalsContact O-OG 3.13Å; M318-F335 HydrophobicContact CG-CE2 4.46Å; M318-F338 HydrophobicContact CE-CE1 3.61Å; M318-F338 HydrophobicContact CE-CZ 4.17Å; M318-F338 HydrophobicContact CG-CE1 4.39Å; M318-F338 HydrophobicContact SD-CE1 4.21Å; M318-L339 HydrophobicContact CG-CD2 4.44Å; M318-L339 HydrophobicContact SD-CD2 3.97Å; M318-F342 HydrophobicContact CE-CD2 4.33Å; M318-F342 HydrophobicContact CE-CE2 4.08Å; M318-F342 HydrophobicContact CE-CZ 4.43Å; M318-F356 HydrophobicContact CB-CD2 3.68Å; M318-F356 HydrophobicContact CB-CE2 4.07Å; M318-F356 HydrophobicContact CB-CG 4.45Å
319N91.1Very high89.7Confident26 Ų2636.3 Ų36.314%0.13917%0.169CC..Hα-helixtrans-60.1-50.6176.6-168.8-3.3000110.8L222 M315 M316 L317 I321 S322 R323 F356L222-N319 HydrophobicContact CD1-CB 4.38Å; L222-N319 HydrophobicContact CD2-CB 3.83Å; L222-N319 VanDerWaalsContact CD2-CG 3.45Å; M315-N319 WeakPolarHBondContact O-CB 3.23Å; M315-N319 PolarHBondContact O-N 2.97Å; M316-N319 PolarHBondContact O-N 2.97Å; L317-N319 VanDerWaalsContact C-N 3.29Å; L317-N319 PolarHBondContact O-N 2.85Å; N319-I321 PolarHBondContact O-N 3.24Å; N319-S322 WeakPolarHBondContact CA-OG 3.02Å; N319-S322 PolarHBondContact O-N 2.99Å; N319-S322 PolarHBondContact O-OG 3.13Å; N319-R323 WeakPolarHBondContact O-CG 3.32Å; N319-R323 PolarHBondContact O-N 3.23Å; N319-R323 PolarHBondContact OD1-NE 2.9Å; N319-F356 HydrophobicContact CB-CD1 3.93Å; N319-F356 HydrophobicContact CB-CE1 3.38Å; N319-F356 HydrophobicContact CB-CE2 4.29Å; N319-F356 HydrophobicContact CB-CZ 3.59Å
320L91.3Very high90Very high0 Ų033.7 Ų33.70%016%0.157CC..Hα-helixtrans-60.3-46.2179.5-179.157.9000111.9L218 F221 L222 F296 L300 M316 L317 S322 R323 L324L218-L320 HydrophobicContact CD2-CB 4.45Å; L218-L320 HydrophobicContact CD2-CD2 3.54Å; F221-L320 HydrophobicContact CB-CD1 3.47Å; F221-L320 VanDerWaalsContact CB-CD1 3.47Å; F221-L320 HydrophobicContact CB-CD2 4.26Å; F221-L320 HydrophobicContact CD2-CD2 4.29Å; F221-L320 HydrophobicContact CG-CD1 4.12Å; F221-L320 HydrophobicContact CG-CD2 4.49Å; L222-L320 HydrophobicContact CD2-CB 4.23Å; F296-L320 HydrophobicContact CE1-CD2 4.42Å; F296-L320 HydrophobicContact CZ-CD2 4.41Å; L300-L320 HydrophobicContact CD1-CD2 3.91Å; L300-L320 HydrophobicContact CD1-CG 4.29Å; M316-L320 PolarHBondContact O-N 3.21Å; L317-L320 PolarHBondContact O-N 3.37Å; L320-S322 VanDerWaalsContact C-N 3.34Å; L320-S322 PolarHBondContact O-N 3.14Å; L320-R323 PolarHBondContact O-N 3.17Å; L320-L324 HydrophobicContact CD1-CD1 4.33Å; L320-L324 HydrophobicContact CD1-CG 4.37Å; L320-L324 HydrophobicContact CG-CD1 4.06Å; L320-L324 WeakPolarHBondContact O-CG 3.37Å; L320-L324 PolarHBondContact O-N 3.39Å
321I93Very high90Very high0 Ų028.8 Ų28.80%014%0.141CC..Hα-helixtrans-59.6-46.1177-66.2165.7000110.1L300 L301 L304 L317 M318 N319 R323 L324 V325 L332 F335L300-I321 HydrophobicContact CB-CD1 4.03Å; L300-I321 HydrophobicContact CB-CG1 3.93Å; L300-I321 HydrophobicContact CD1-CG1 4.37Å; L301-I321 HydrophobicContact CB-CD1 4.39Å; L304-I321 HydrophobicContact CD2-CD1 3.94Å; L317-I321 VanDerWaalsContact O-CG1 3.3Å; L317-I321 WeakPolarHBondContact O-CG1 3.44Å; L317-I321 PolarHBondContact O-N 3.32Å; M318-I321 PolarHBondContact O-N 3.44Å; N319-I321 PolarHBondContact O-N 3.24Å; I321-R323 VanDerWaalsContact C-N 3.31Å; I321-R323 PolarHBondContact O-N 2.97Å; I321-L324 PolarHBondContact O-N 3.29Å; I321-V325 HydrophobicContact CG2-CG2 4.22Å; I321-V325 VanDerWaalsContact O-CG2 3.3Å; I321-V325 WeakPolarHBondContact O-CG2 3.39Å; I321-V325 PolarHBondContact O-N 3.45Å; I321-L332 HydrophobicContact CG2-CD2 4.21Å; I321-F335 HydrophobicContact CB-CE2 4.13Å; I321-F335 HydrophobicContact CB-CZ 4.27Å; I321-F335 HydrophobicContact CD1-CE2 4.49Å; I321-F335 HydrophobicContact CG2-CD1 4.31Å; I321-F335 HydrophobicContact CG2-CD2 3.85Å; I321-F335 HydrophobicContact CG2-CE1 4.24Å; I321-F335 HydrophobicContact CG2-CE2 3.78Å; I321-F335 HydrophobicContact CG2-CG 4.12Å; I321-F335 HydrophobicContact CG2-CZ 3.98Å
322S91.9Very high90.1Very high0 Ų026.8 Ų26.80%013%0.133CC..Hα-helixtrans-63.2-35.418061.90000113.8M318 N319 L320 G326 F356 Q359M318-S322 WeakPolarHBondContact O-CB 3.48Å; M318-S322 PolarHBondContact O-N 3.46Å; M318-S322 PolarHBondContact O-OG 2.73Å; M318-S322 VanDerWaalsContact O-OG 3.13Å; N319-S322 WeakPolarHBondContact CA-OG 3.02Å; N319-S322 PolarHBondContact O-N 2.99Å; N319-S322 PolarHBondContact O-OG 3.13Å; L320-S322 VanDerWaalsContact C-N 3.34Å; L320-S322 PolarHBondContact O-N 3.14Å; S322-G326 PolarHBondContact O-N 2.97Å; S322-F356 WeakPolarHBondContact CB-O 3.31Å; S322-Q359 PolarHBondContact OG-OE1 3.31Å
323R88.8Confident90.1Very high35 Ų3526.3 Ų26.313%0.13213%0.13CC..Hα-helixtrans-69.2-42.3174.1-66.2-177.4-176.8-162-0.8111.9L222 I287 N319 L320 I321 G326 I327 L594L222-R323 PolarHBondContact O-NH1 3.43Å; I287-R323 HydrophobicContact CD1-CB 4.08Å; N319-R323 WeakPolarHBondContact O-CG 3.32Å; N319-R323 PolarHBondContact O-N 3.23Å; N319-R323 PolarHBondContact OD1-NE 2.9Å; L320-R323 PolarHBondContact O-N 3.17Å; I321-R323 VanDerWaalsContact C-N 3.31Å; I321-R323 PolarHBondContact O-N 2.97Å; R323-G326 PolarHBondContact O-N 3.02Å; R323-I327 VanDerWaalsContact O-CB 3.3Å; R323-I327 WeakPolarHBondContact O-CB 3.1Å; R323-I327 VanDerWaalsContact O-CG1 3.24Å; R323-I327 WeakPolarHBondContact O-CG1 3.37Å; R323-I327 PolarHBondContact O-N 3.26Å; R323-L594 HydrophobicContact CB-CD2 4.09Å; R323-L594 HydrophobicContact CG-CD1 4.3Å; R323-L594 HydrophobicContact CG-CD2 3.72Å
324L89.6Confident90.2Very high0 Ų031.1 Ų31.10%016%0.155CC..Hα-helixtrans-60.4-47.6176.5-74.2165.8000111.2I287 I290 F296 A297 L300 L320 I321 H328 L330I287-L324 HydrophobicContact CG2-CD2 3.78Å; I290-L324 HydrophobicContact CD1-CD2 3.73Å; F296-L324 HydrophobicContact CD1-CD1 3.65Å; F296-L324 HydrophobicContact CD1-CD2 4.3Å; F296-L324 HydrophobicContact CE1-CD1 3.77Å; A297-L324 HydrophobicContact CB-CD1 4.36Å; L300-L324 HydrophobicContact CD1-CD1 4Å; L320-L324 HydrophobicContact CD1-CD1 4.33Å; L320-L324 HydrophobicContact CD1-CG 4.37Å; L320-L324 HydrophobicContact CG-CD1 4.06Å; L320-L324 WeakPolarHBondContact O-CG 3.37Å; L320-L324 PolarHBondContact O-N 3.39Å; I321-L324 PolarHBondContact O-N 3.29Å; L324-H328 WeakPolarHBondContact O-CB 3.43Å; L324-H328 PolarHBondContact O-N 2.89Å; L324-L330 HydrophobicContact CB-CD1 3.91Å
325V91Very high90.3Very high0 Ų028.9 Ų28.90%015%0.145CC..Hα-helixtrans-62.7-44.6178.6173.20000111.4I321 E329 L330 L332 A360I321-V325 HydrophobicContact CG2-CG2 4.22Å; I321-V325 VanDerWaalsContact O-CG2 3.3Å; I321-V325 WeakPolarHBondContact O-CG2 3.39Å; I321-V325 PolarHBondContact O-N 3.45Å; V325-E329 WeakPolarHBondContact O-CA 3.39Å; V325-E329 PolarHBondContact O-N 3.28Å; V325-L330 HydrophobicContact CG2-CB 4.2Å; V325-L330 PolarHBondContact O-N 3.07Å; V325-L332 HydrophobicContact CG2-CB 4.2Å; V325-L332 HydrophobicContact CG2-CD1 4.14Å; V325-A360 HydrophobicContact CB-CB 4.2Å; V325-A360 HydrophobicContact CG1-CB 3.99Å; V325-A360 VanDerWaalsContact CG1-O 3.29Å; V325-A360 WeakPolarHBondContact CG1-O 3.3Å
326G86.9Confident90.3Very high30 Ų3028.3 Ų28.331%0.30914%0.142SC..Hα-helixtrans-69.3-36.2-178.900000114.3S322 R323 Q359S322-G326 PolarHBondContact O-N 2.97Å; R323-G326 PolarHBondContact O-N 3.02Å; G326-Q359 VanDerWaalsContact CA-O 3.27Å; G326-Q359 WeakPolarHBondContact CA-O 3.49Å
327I85.5Confident90.4Very high26 Ų2629.1 Ų29.113%0.13315%0.15CC..Hα-helixtrans-80.7-47.6-176.7-70.3171000111.7I287 H288 R323 E593 L594I287-I327 HydrophobicContact CB-CD1 4.34Å; I287-I327 HydrophobicContact CD1-CD1 3.96Å; I287-I327 HydrophobicContact CG2-CB 4.49Å; I287-I327 HydrophobicContact CG2-CD1 3.88Å; I287-I327 HydrophobicContact CG2-CG2 4.37Å; H288-I327 WeakPolarHBondContact CE1-CG2 3.46Å; R323-I327 VanDerWaalsContact O-CB 3.3Å; R323-I327 WeakPolarHBondContact O-CB 3.1Å; R323-I327 VanDerWaalsContact O-CG1 3.24Å; R323-I327 WeakPolarHBondContact O-CG1 3.37Å; R323-I327 PolarHBondContact O-N 3.26Å; I327-E593 HydrophobicContact CD1-CG 4.36Å; I327-E593 HydrophobicContact CG1-CG 3.94Å; I327-E593 WeakPolarHBondContact CG2-OE1 3.46Å; I327-L594 HydrophobicContact CD1-CD2 4Å; I327-L594 HydrophobicContact CG1-CD2 4.31Å
328H86.3Confident90.4Very high56 Ų5629.9 Ų29.926%0.25915%0.154SC..Hα-helixtrans-96.15.2-175.4-68.2-80.8000113.2I287 P293 L324 L330I287-H328 PolarHBondContact O-NE2 3.29Å; P293-H328 HydrophobicContact CB-CB 4.24Å; P293-H328 HydrophobicContact CG-CB 4.15Å; L324-H328 WeakPolarHBondContact O-CB 3.43Å; L324-H328 PolarHBondContact O-N 2.89Å; H328-L330 VanDerWaalsContact C-N 3.34Å; H328-L330 HydrophobicContact CB-CD1 4.39Å; H328-L330 HydrophobicContact CB-CD2 3.56Å; H328-L330 HydrophobicContact CB-CG 3.78Å; H328-L330 PolarHBondContact O-N 3.07Å
329E88.5Confident90.4Very high73 Ų7329.9 Ų29.934%0.34115%0.154SC..THydrogen-bonded Turntrans51.947.6-179.3-55.2-171.7155.400113.3V325 H362 H363 L364V325-E329 WeakPolarHBondContact O-CA 3.39Å; V325-E329 PolarHBondContact O-N 3.28Å; E329-H362 HydrophobicContact CG-CB 4.49Å; E329-H362 PolarHBondContact O-CE1 3.13Å; E329-H363 IonicContact OE1-CD2 2.83Å; E329-H363 PolarHBondContact OE1-CD2 3.02Å; E329-H363 IonicContact OE1-CE1 3.08Å; E329-H363 IonicContact OE1-NE2 3.93Å; E329-H363 PolarHBondContact OE1-NE2 3.38Å; E329-H363 IonicContact OE2-CE1 2.98Å; E329-H363 IonicContact OE2-NE2 2.71Å; E329-H363 PolarHBondContact OE2-NE2 3.29Å; E329-L364 HydrophobicContact CB-CD1 4.16Å
330L91.2Very high90.4Very high9 Ų930.7 Ų30.75%0.04716%0.156CC..  trans-78.4145.6-171.2-55.3178000113.8P293 Q294 A297 L324 V325 H328 L332 H362P293-L330 HydrophobicContact CB-CD1 4.28Å; P293-L330 HydrophobicContact CB-CD2 4.18Å; P293-L330 HydrophobicContact CG-CD2 4.14Å; P293-L330 WeakPolarHBondContact O-CD1 3.35Å; Q294-L330 HydrophobicContact CB-CD2 4.16Å; Q294-L330 VanDerWaalsContact OE1-CB 3.31Å; A297-L330 HydrophobicContact CB-CD1 3.74Å; L324-L330 HydrophobicContact CB-CD1 3.91Å; V325-L330 HydrophobicContact CG2-CB 4.2Å; V325-L330 PolarHBondContact O-N 3.07Å; H328-L330 VanDerWaalsContact C-N 3.34Å; H328-L330 HydrophobicContact CB-CD1 4.39Å; H328-L330 HydrophobicContact CB-CD2 3.56Å; H328-L330 HydrophobicContact CB-CG 3.78Å; H328-L330 PolarHBondContact O-N 3.07Å; L330-L332 HydrophobicContact CB-CD1 3.8Å; L330-L332 HydrophobicContact CD1-CD1 4.4Å; L330-L332 PolarHBondContact O-N 3.2Å; L330-H362 PolarHBondContact O-NE2 3.31Å; L330-H362 VanDerWaalsContact O-NE2 3.09Å
331F89.9Confident90.4Very high95 Ų9539.5 Ų39.542%0.41719%0.19SC..  trans-88.892177.4-61.1-76000111.6Q294 F333 L364Q294-F331 PolarHBondContact NE2-O 3.46Å; F331-F333 HydrophobicContact CB-CE1 4.33Å; F331-F333 HydrophobicContact CB-CZ 4.09Å; F331-F333 HydrophobicContact CD1-CE1 4.01Å; F331-F333 AromaticContact CD1-CZ 3.83Å; F331-F333 HydrophobicContact CD1-CZ 3.83Å; F331-F333 HydrophobicContact CG-CZ 4.37Å; F331-L364 HydrophobicContact CE1-CB 3.86Å; F331-L364 WeakPolarHBondContact CE1-O 3.19Å; F331-L364 HydrophobicContact CZ-CB 3.99Å; F331-L364 HydrophobicContact CZ-CD1 4.16Å
332L89.4Confident90.2Very high6 Ų641.5 Ų41.53%0.03120%0.198CC..  trans-123.975.4175.5-8890.2000112.6A297 E298 L301 I321 V325 L330 N334 F335 Y336A297-L332 HydrophobicContact CB-CD1 3.68Å; A297-L332 HydrophobicContact CB-CD2 3.86Å; A297-L332 HydrophobicContact CB-CG 4.45Å; E298-L332 HydrophobicContact CG-CG 4.42Å; L301-L332 HydrophobicContact CB-CD2 4.14Å; L301-L332 HydrophobicContact CD2-CD2 4.06Å; I321-L332 HydrophobicContact CG2-CD2 4.21Å; V325-L332 HydrophobicContact CG2-CB 4.2Å; V325-L332 HydrophobicContact CG2-CD1 4.14Å; L330-L332 HydrophobicContact CB-CD1 3.8Å; L330-L332 HydrophobicContact CD1-CD1 4.4Å; L330-L332 PolarHBondContact O-N 3.2Å; L332-N334 PolarHBondContact O-N 3.45Å; L332-F335 HydrophobicContact CB-CB 4.26Å; L332-F335 VanDerWaalsContact O-CB 3.31Å; L332-F335 WeakPolarHBondContact O-CB 3.34Å; L332-F335 PolarHBondContact O-N 2.7Å; L332-Y336 WeakPolarHBondContact O-CE2 3.3Å
333F90.2Very high90.2Very high86 Ų8641.5 Ų41.538%0.37720%0.198SC..THydrogen-bonded Turntrans-64.9-34.6-174.8-53.9-39000114.4F331 F335 Y336 P337 P366 I369F331-F333 HydrophobicContact CB-CE1 4.33Å; F331-F333 HydrophobicContact CB-CZ 4.09Å; F331-F333 HydrophobicContact CD1-CE1 4.01Å; F331-F333 AromaticContact CD1-CZ 3.83Å; F331-F333 HydrophobicContact CD1-CZ 3.83Å; F331-F333 HydrophobicContact CG-CZ 4.37Å; F333-F335 PolarHBondContact O-N 3Å; F333-Y336 PolarHBondContact O-N 2.96Å; F333-P337 WeakPolarHBondContact O-CD 3.31Å; F333-P366 VanDerWaalsContact CE1-CD 3.41Å; F333-P366 HydrophobicContact CE1-CG 3.98Å; F333-P366 HydrophobicContact CZ-CG 4.17Å; F333-I369 HydrophobicContact CB-CD1 3.89Å; F333-I369 HydrophobicContact CD1-CD1 3.65Å; F333-I369 HydrophobicContact CE1-CD1 4.42Å; F333-I369 HydrophobicContact CG-CD1 3.82Å
334N91.8Very high90.3Very high112 Ų11245 Ų4560%0.59922%0.216SC*.THydrogen-bonded Turntrans-68.6-16.1179.7-68.1-25.1000113.3L301 L332 F338L301-N334 HydrophobicContact CD2-CB 3.93Å; L332-N334 PolarHBondContact O-N 3.45Å; N334-F338 WeakPolarHBondContact O-CB 3.44Å; N334-F338 PolarHBondContact O-N 3.22Å
335F93.2Very high90.3Very high0 Ų047.1 Ų47.10%023%0.23CC..Hα-helixtrans-68-38178.4-175.8-121.3000112.4L301 M318 I321 L332 F333 F338 L339 A360L301-F335 HydrophobicContact CD1-CB 4.47Å; L301-F335 HydrophobicContact CD1-CD2 3.93Å; L301-F335 HydrophobicContact CD2-CB 4.35Å; M318-F335 HydrophobicContact CG-CE2 4.46Å; I321-F335 HydrophobicContact CB-CE2 4.13Å; I321-F335 HydrophobicContact CB-CZ 4.27Å; I321-F335 HydrophobicContact CD1-CE2 4.49Å; I321-F335 HydrophobicContact CG2-CD1 4.31Å; I321-F335 HydrophobicContact CG2-CD2 3.85Å; I321-F335 HydrophobicContact CG2-CE1 4.24Å; I321-F335 HydrophobicContact CG2-CE2 3.78Å; I321-F335 HydrophobicContact CG2-CG 4.12Å; I321-F335 HydrophobicContact CG2-CZ 3.98Å; L332-F335 HydrophobicContact CB-CB 4.26Å; L332-F335 VanDerWaalsContact O-CB 3.31Å; L332-F335 WeakPolarHBondContact O-CB 3.34Å; L332-F335 PolarHBondContact O-N 2.7Å; F333-F335 PolarHBondContact O-N 3Å; F335-F338 WeakPolarHBondContact O-CB 3.45Å; F335-F338 PolarHBondContact O-N 3.12Å; F335-L339 HydrophobicContact CD1-CD1 3.92Å; F335-L339 HydrophobicContact CD1-CG 4.41Å; F335-L339 HydrophobicContact CD2-CG 4.46Å; F335-L339 HydrophobicContact CE1-CD1 3.47Å; F335-L339 VanDerWaalsContact CE1-CD1 3.47Å; F335-L339 HydrophobicContact CE1-CD2 4.5Å; F335-L339 HydrophobicContact CE1-CG 4.09Å; F335-L339 HydrophobicContact CE2-CD1 4.41Å; F335-L339 HydrophobicContact CE2-CD2 4.11Å; F335-L339 HydrophobicContact CE2-CG 4.16Å; F335-L339 HydrophobicContact CZ-CD1 3.75Å; F335-L339 HydrophobicContact CZ-CD2 3.93Å; F335-L339 HydrophobicContact CZ-CG 3.97Å; F335-L339 WeakPolarHBondContact O-CG 3.29Å; F335-L339 PolarHBondContact O-N 3.06Å; F335-A360 HydrophobicContact CD1-CB 4.01Å; F335-A360 HydrophobicContact CE1-CB 3.7Å
336Y92.1Very high90.1Very high1 Ų155.9 Ų55.90%0.00427%0.271CS..Hα-helixtrans-68.9-47.6-176.9-49.5-82.9000113.2L332 F333 F338 L339 Q340 A360 V365 I369 I370 L373L332-Y336 WeakPolarHBondContact O-CE2 3.3Å; F333-Y336 PolarHBondContact O-N 2.96Å; Y336-F338 PolarHBondContact O-N 3.09Å; Y336-L339 PolarHBondContact O-N 2.89Å; Y336-L339 VanDerWaalsContact O-N 3.14Å; Y336-Q340 WeakPolarHBondContact O-CG 3.35Å; Y336-Q340 PolarHBondContact O-N 3.42Å; Y336-A360 HydrophobicContact CE1-CB 4.19Å; Y336-A360 PolarHBondContact OH-O 2.99Å; Y336-V365 HydrophobicContact CE2-CG1 3.85Å; Y336-V365 VanDerWaalsContact OH-CG2 3.27Å; Y336-V365 WeakPolarHBondContact OH-CG2 3.32Å; Y336-I369 HydrophobicContact CD2-CG2 3.53Å; Y336-I369 HydrophobicContact CE2-CG2 4.38Å; Y336-I369 HydrophobicContact CG-CG2 3.81Å; Y336-I370 HydrophobicContact CD1-CD1 3.71Å; Y336-I370 HydrophobicContact CE1-CD1 3.43Å; Y336-I370 VanDerWaalsContact CE1-CD1 3.43Å; Y336-I370 HydrophobicContact CE2-CD1 4.46Å; Y336-I370 HydrophobicContact CG-CD1 4.34Å; Y336-L373 HydrophobicContact CD1-CD2 4.07Å
337P92.4Very high90.2Very high56 Ų5657.4 Ų57.436%0.36427%0.27SS..Hα-helixtrans-59.8-33.2172.4-24.535000112.8F333 Q340F333-P337 WeakPolarHBondContact O-CD 3.31Å; P337-Q340 PolarHBondContact O-N 2.91Å
338F92.1Very high90.2Very high17 Ų1762.8 Ų62.88%0.07529%0.288CS..Hα-helixtrans-64.7-44.7174.4-179.4-89.4000111.6L304 E305 M318 N334 F335 Y336 R341 F342L304-F338 HydrophobicContact CD1-CE1 4.45Å; L304-F338 HydrophobicContact CD1-CZ 4.29Å; L304-F338 HydrophobicContact CD2-CD1 4.18Å; L304-F338 HydrophobicContact CD2-CE1 3.56Å; L304-F338 HydrophobicContact CD2-CZ 4Å; L304-F338 HydrophobicContact CG-CE1 3.86Å; L304-F338 HydrophobicContact CG-CZ 3.74Å; E305-F338 HydrophobicContact CG-CD2 4.28Å; E305-F338 HydrophobicContact CG-CE2 4.4Å; M318-F338 HydrophobicContact CE-CE1 3.61Å; M318-F338 HydrophobicContact CE-CZ 4.17Å; M318-F338 HydrophobicContact CG-CE1 4.39Å; M318-F338 HydrophobicContact SD-CE1 4.21Å; N334-F338 WeakPolarHBondContact O-CB 3.44Å; N334-F338 PolarHBondContact O-N 3.22Å; F335-F338 WeakPolarHBondContact O-CB 3.45Å; F335-F338 PolarHBondContact O-N 3.12Å; Y336-F338 PolarHBondContact O-N 3.09Å; F338-R341 PolarHBondContact O-N 3.36Å; F338-F342 HydrophobicContact CD1-CE2 4.05Å; F338-F342 HydrophobicContact CE1-CD2 4.31Å; F338-F342 AromaticContact CE1-CE2 3.55Å; F338-F342 HydrophobicContact CE1-CE2 3.55Å; F338-F342 HydrophobicContact CE1-CZ 4.4Å; F338-F342 HydrophobicContact CE2-CE2 4.2Å; F338-F342 AromaticContact CZ-CE2 3.63Å; F338-F342 HydrophobicContact CZ-CE2 3.63Å; F338-F342 HydrophobicContact CZ-CZ 4.09Å; F338-F342 VanDerWaalsContact O-CD2 3.28Å; F338-F342 WeakPolarHBondContact O-CD2 3.37Å; F338-F342 WeakPolarHBondContact O-CE2 3.44Å
339L91.7Very high90.2Very high0 Ų062.8 Ų62.80%029%0.288CS..Hα-helixtrans-63.2-40.2175.3-70.9179.9000112.5M318 F335 Y336 R341 F342 L343 I353 A357M318-L339 HydrophobicContact CG-CD2 4.44Å; M318-L339 HydrophobicContact SD-CD2 3.97Å; F335-L339 HydrophobicContact CD1-CD1 3.92Å; F335-L339 HydrophobicContact CD1-CG 4.41Å; F335-L339 HydrophobicContact CD2-CG 4.46Å; F335-L339 HydrophobicContact CE1-CD1 3.47Å; F335-L339 VanDerWaalsContact CE1-CD1 3.47Å; F335-L339 HydrophobicContact CE1-CD2 4.5Å; F335-L339 HydrophobicContact CE1-CG 4.09Å; F335-L339 HydrophobicContact CE2-CD1 4.41Å; F335-L339 HydrophobicContact CE2-CD2 4.11Å; F335-L339 HydrophobicContact CE2-CG 4.16Å; F335-L339 HydrophobicContact CZ-CD1 3.75Å; F335-L339 HydrophobicContact CZ-CD2 3.93Å; F335-L339 HydrophobicContact CZ-CG 3.97Å; F335-L339 WeakPolarHBondContact O-CG 3.29Å; F335-L339 PolarHBondContact O-N 3.06Å; Y336-L339 PolarHBondContact O-N 2.89Å; Y336-L339 VanDerWaalsContact O-N 3.14Å; L339-R341 PolarHBondContact O-N 2.75Å; L339-R341 VanDerWaalsContact O-N 3.12Å; L339-F342 PolarHBondContact O-N 3.5Å; L339-L343 PolarHBondContact O-N 3.5Å; L339-I353 HydrophobicContact CD2-CG2 4.04Å; L339-A357 HydrophobicContact CD1-CB 4.03Å
340Q91.8Very high90.3Very high42 Ų4260 Ų6020%0.19628%0.276CS..Hα-helixtrans-52.6-35.7-179.8-75.5175-3.200113.1Y336 P337 F342 L343 S372 L373Y336-Q340 WeakPolarHBondContact O-CG 3.35Å; Y336-Q340 PolarHBondContact O-N 3.42Å; P337-Q340 PolarHBondContact O-N 2.91Å; Q340-F342 PolarHBondContact O-N 3.23Å; Q340-F342 VanDerWaalsContact O-N 3.17Å; Q340-L343 PolarHBondContact O-N 3.02Å; Q340-L343 VanDerWaalsContact O-N 3.15Å; Q340-S372 PolarHBondContact NE2-OG 3.47Å; Q340-L373 HydrophobicContact CG-CD1 3.75Å
341R90.6Very high90.2Very high186 Ų18660.8 Ų60.870%0.70228%0.282SS*.THydrogen-bonded Turntrans-59.7-26.7177.3-62.9176.5-175.5173.62.3113.3F338 L339F338-R341 PolarHBondContact O-N 3.36Å; L339-R341 PolarHBondContact O-N 2.75Å; L339-R341 VanDerWaalsContact O-N 3.12Å
342F90.1Very high90.3Very high41 Ų4159.7 Ų59.718%0.1828%0.277CS..THydrogen-bonded Turntrans-102-0.6-178-56.3-76.6000113.4F311 M318 F338 L339 Q340 Q344 I353F311-F342 HydrophobicContact CE2-CD1 4.04Å; F311-F342 HydrophobicContact CE2-CE1 4.01Å; F311-F342 HydrophobicContact CZ-CD1 4.47Å; M318-F342 HydrophobicContact CE-CD2 4.33Å; M318-F342 HydrophobicContact CE-CE2 4.08Å; M318-F342 HydrophobicContact CE-CZ 4.43Å; F338-F342 HydrophobicContact CD1-CE2 4.05Å; F338-F342 HydrophobicContact CE1-CD2 4.31Å; F338-F342 AromaticContact CE1-CE2 3.55Å; F338-F342 HydrophobicContact CE1-CE2 3.55Å; F338-F342 HydrophobicContact CE1-CZ 4.4Å; F338-F342 HydrophobicContact CE2-CE2 4.2Å; F338-F342 AromaticContact CZ-CE2 3.63Å; F338-F342 HydrophobicContact CZ-CE2 3.63Å; F338-F342 HydrophobicContact CZ-CZ 4.09Å; F338-F342 VanDerWaalsContact O-CD2 3.28Å; F338-F342 WeakPolarHBondContact O-CD2 3.37Å; F338-F342 WeakPolarHBondContact O-CE2 3.44Å; L339-F342 PolarHBondContact O-N 3.5Å; Q340-F342 PolarHBondContact O-N 3.23Å; Q340-F342 VanDerWaalsContact O-N 3.17Å; F342-Q344 PolarHBondContact O-N 3.37Å; F342-I353 HydrophobicContact CB-CD1 3.7Å; F342-I353 HydrophobicContact CB-CG2 4.23Å; F342-I353 HydrophobicContact CG-CD1 4.5Å
343L90.9Very high90.4Very high0 Ų059.4 Ų59.40%028%0.275CS..  trans-83.260.3-179.6-67-177000112.2L339 Q340 I353 L354 L373 T376 V377 N380 F381L339-L343 PolarHBondContact O-N 3.5Å; Q340-L343 PolarHBondContact O-N 3.02Å; Q340-L343 VanDerWaalsContact O-N 3.15Å; L343-I353 HydrophobicContact CD2-CG2 3.98Å; L343-L354 HydrophobicContact CD2-CD2 3.63Å; L343-L354 HydrophobicContact CD2-CG 4.12Å; L343-L373 HydrophobicContact CD1-CD1 3.49Å; L343-L373 VanDerWaalsContact CD1-CD1 3.49Å; L343-L373 HydrophobicContact CD1-CG 4.44Å; L343-T376 HydrophobicContact CB-CG2 4.26Å; L343-V377 HydrophobicContact CD1-CG2 3.8Å; L343-N380 PolarHBondContact O-ND2 3.04Å; L343-F381 HydrophobicContact CB-CE2 4.34Å
344Q90.1Very high90.5Very high108 Ų10855.3 Ų55.351%0.50526%0.257SS..  trans-118.7138.8172.9-64.3-175.1-3.200110.3F342 H346 Q347 V350F342-Q344 PolarHBondContact O-N 3.37Å; Q344-H346 PolarHBondContact O-N 3.18Å; Q344-H346 VanDerWaalsContact O-N 3.13Å; Q344-Q347 VanDerWaalsContact O-CB 3.24Å; Q344-Q347 WeakPolarHBondContact O-CB 3.44Å; Q344-Q347 PolarHBondContact O-N 3.27Å; Q344-V350 WeakPolarHBondContact O-CG2 3.23Å
345P89.6Confident90.5Very high45 Ų4550.4 Ų50.429%0.29223%0.231SC..THydrogen-bonded Turntrans-59-28.3-178.1-27.134.4000115Q347 N380 F381 V390P345-Q347 VanDerWaalsContact C-N 3.3Å; P345-N380 WeakPolarHBondContact CG-O 3.43Å; P345-F381 HydrophobicContact CB-CE1 4.42Å; P345-F381 HydrophobicContact CG-CD1 4.22Å; P345-F381 HydrophobicContact CG-CE1 4.24Å; P345-F381 HydrophobicContact CG-CG 4.37Å; P345-F381 HydrophobicContact CG-CZ 4.41Å; P345-V390 HydrophobicContact CB-CG1 3.85Å; P345-V390 HydrophobicContact CG-CG1 4.03Å
346H87.8Confident90.4Very high185 Ų18550.7 Ų50.786%0.85623%0.232SC*.THydrogen-bonded Turntrans-80.4-11.7179.7-167.867000113.2Q344Q344-H346 PolarHBondContact O-N 3.18Å; Q344-H346 VanDerWaalsContact O-N 3.13Å
347Q88.4Confident90.4Very high62 Ų6250.6 Ų50.629%0.2923%0.232SC..SBendtrans-66.8140-178.7-173.662.616.900110.9Q344 P345 E349 V350 I353Q344-Q347 VanDerWaalsContact O-CB 3.24Å; Q344-Q347 WeakPolarHBondContact O-CB 3.44Å; Q344-Q347 PolarHBondContact O-N 3.27Å; P345-Q347 VanDerWaalsContact C-N 3.3Å; Q347-E349 PolarHBondContact O-N 2.91Å; Q347-V350 HydrophobicContact CB-CB 4.23Å; Q347-V350 HydrophobicContact CB-CG2 4.37Å; Q347-V350 PolarHBondContact O-N 3.23Å; Q347-I353 HydrophobicContact CG-CD1 4.21Å
348R85.8Confident90.3Very high138 Ų13848 Ų4852%0.52122%0.215SC..THydrogen-bonded Turntrans-61.6132.3177178.2174168.3-170.7-9110.8E312 V350E312-R348 IonicContact OE1-CZ 3.97Å; E312-R348 IonicContact OE1-NH1 3.59Å; E312-R348 IonicContact OE1-NH2 3.48Å; E312-R348 PolarHBondContact OE1-NH2 3.37Å; R348-V350 PolarHBondContact O-N 3.05Å
349E86.9Confident90.1Very high56 Ų5647.5 Ų47.526%0.26221%0.213SC..THydrogen-bonded Turntrans5532.9175.6-66.7173.7-137.100113.5M315 Q347 T351 K352M315-E349 HydrophobicContact CE-CB 4.48Å; M315-E349 VanDerWaalsContact CE-OE2 3.28Å; M315-E349 WeakPolarHBondContact CE-OE2 3.23Å; M315-E349 HydrophobicContact SD-CB 3.88Å; Q347-E349 PolarHBondContact O-N 2.91Å; E349-T351 PolarHBondContact O-N 2.62Å; E349-T351 VanDerWaalsContact O-N 3.11Å; E349-K352 HydrophobicContact CB-CD 4.19Å; E349-K352 HydrophobicContact CB-CG 4.35Å; E349-K352 WeakPolarHBondContact O-CB 3.28Å; E349-K352 PolarHBondContact O-N 2.95Å; E349-K352 WeakPolarHBondContact OE2-CD 3.5Å; E349-K352 VanDerWaalsContact OE2-CE 3.28Å; E349-K352 WeakPolarHBondContact OE2-CE 3.41Å; E349-K352 IonicContact OE2-NZ 3.06Å; E349-K352 PolarHBondContact OE2-NZ 2.66Å
350V89.9Confident90.1Very high14 Ų1447.5 Ų47.59%0.08521%0.213CC..Hα-helixtrans-59.6-25.3-177.8730000113.8Q344 Q347 R348 K352 I353 L354 F381Q344-V350 WeakPolarHBondContact O-CG2 3.23Å; Q347-V350 HydrophobicContact CB-CB 4.23Å; Q347-V350 HydrophobicContact CB-CG2 4.37Å; Q347-V350 PolarHBondContact O-N 3.23Å; R348-V350 PolarHBondContact O-N 3.05Å; V350-K352 VanDerWaalsContact C-N 3.26Å; V350-K352 PolarHBondContact O-N 3.39Å; V350-I353 WeakPolarHBondContact O-CB 3.12Å; V350-I353 PolarHBondContact O-N 2.98Å; V350-I353 VanDerWaalsContact O-N 3.09Å; V350-L354 WeakPolarHBondContact O-CG 3.27Å; V350-L354 PolarHBondContact O-N 3.11Å; V350-F381 HydrophobicContact CG1-CE1 4.05Å; V350-F381 HydrophobicContact CG1-CZ 4.25Å; V350-F381 HydrophobicContact CG2-CE1 4.29Å; V350-F381 HydrophobicContact CG2-CZ 3.65Å
351T90.5Very high90Very high27 Ų2745.5 Ų45.517%0.16620%0.204CC..Hα-helixtrans-60-35.6173.252.70000112.2E349 L355 V393 E601E349-T351 PolarHBondContact O-N 2.62Å; E349-T351 VanDerWaalsContact O-N 3.11Å; T351-L355 PolarHBondContact O-N 2.92Å; T351-V393 HydrophobicContact CG2-CG1 3.96Å; T351-V393 HydrophobicContact CG2-CG2 4.31Å; T351-E601 WeakPolarHBondContact CB-OE1 3.46Å; T351-E601 HydrophobicContact CG2-CG 3.82Å; T351-E601 PolarHBondContact OG1-OE1 3.29Å
352K90.9Very high89.8Confident71 Ų7137.1 Ų37.131%0.30917%0.172SC..Hα-helixtrans-70-37.7173.5-57.7-172.9179.4170.70111.8E349 V350 L355 F356 L597E349-K352 HydrophobicContact CB-CD 4.19Å; E349-K352 HydrophobicContact CB-CG 4.35Å; E349-K352 WeakPolarHBondContact O-CB 3.28Å; E349-K352 PolarHBondContact O-N 2.95Å; E349-K352 WeakPolarHBondContact OE2-CD 3.5Å; E349-K352 VanDerWaalsContact OE2-CE 3.28Å; E349-K352 WeakPolarHBondContact OE2-CE 3.41Å; E349-K352 IonicContact OE2-NZ 3.06Å; E349-K352 PolarHBondContact OE2-NZ 2.66Å; V350-K352 VanDerWaalsContact C-N 3.26Å; V350-K352 PolarHBondContact O-N 3.39Å; K352-L355 WeakPolarHBondContact O-CA 3.43Å; K352-L355 VanDerWaalsContact O-CB 3.23Å; K352-L355 WeakPolarHBondContact O-CB 3.18Å; K352-L355 PolarHBondContact O-N 3.17Å; K352-L355 VanDerWaalsContact O-N 3.12Å; K352-F356 HydrophobicContact CB-CE1 4.39Å; K352-F356 HydrophobicContact CB-CE2 4.14Å; K352-F356 HydrophobicContact CB-CZ 3.81Å; K352-F356 VanDerWaalsContact O-CD1 3.23Å; K352-F356 WeakPolarHBondContact O-CD1 3.46Å; K352-F356 VanDerWaalsContact O-CD2 3.28Å; K352-F356 WeakPolarHBondContact O-CD2 3.49Å; K352-F356 WeakPolarHBondContact O-CE1 3.18Å; K352-F356 WeakPolarHBondContact O-CG 3.34Å; K352-F356 PolarHBondContact O-N 3.07Å; K352-L597 HydrophobicContact CB-CD2 4.17Å; K352-L597 HydrophobicContact CG-CD1 4.11Å; K352-L597 HydrophobicContact CG-CD2 3.7Å
353I92.5Very high89.5Confident0 Ų039.7 Ų39.70%019%0.185CC..Hα-helixtrans-66.7-41.1178.1-54-179.8000110.5F311 L339 F342 L343 Q347 V350 L355 F356 A357F311-I353 HydrophobicContact CZ-CD1 3.99Å; L339-I353 HydrophobicContact CD2-CG2 4.04Å; F342-I353 HydrophobicContact CB-CD1 3.7Å; F342-I353 HydrophobicContact CB-CG2 4.23Å; F342-I353 HydrophobicContact CG-CD1 4.5Å; L343-I353 HydrophobicContact CD2-CG2 3.98Å; Q347-I353 HydrophobicContact CG-CD1 4.21Å; V350-I353 WeakPolarHBondContact O-CB 3.12Å; V350-I353 PolarHBondContact O-N 2.98Å; V350-I353 VanDerWaalsContact O-N 3.09Å; I353-L355 VanDerWaalsContact C-N 3.26Å; I353-L355 PolarHBondContact O-N 3.04Å; I353-F356 PolarHBondContact O-N 3.41Å; I353-A357 PolarHBondContact O-N 3.06Å
354L91.9Very high89.3Confident0 Ų042 Ų420%020%0.197CC..Hα-helixtrans-61.3-35.4171.1-71.9169.8000111.9L343 V350 A357 A358 V377 F381 V393 A397 I600L343-L354 HydrophobicContact CD2-CD2 3.63Å; L343-L354 HydrophobicContact CD2-CG 4.12Å; V350-L354 WeakPolarHBondContact O-CG 3.27Å; V350-L354 PolarHBondContact O-N 3.11Å; L354-A357 PolarHBondContact O-N 2.99Å; L354-A358 WeakPolarHBondContact O-CB 3.39Å; L354-A358 PolarHBondContact O-N 3.36Å; L354-V377 HydrophobicContact CD2-CG1 4.14Å; L354-V377 HydrophobicContact CD2-CG2 3.77Å; L354-F381 HydrophobicContact CD1-CD1 4.38Å; L354-F381 HydrophobicContact CD1-CE1 3.89Å; L354-F381 HydrophobicContact CD1-CZ 4.06Å; L354-V393 HydrophobicContact CD1-CG1 3.52Å; L354-A397 HydrophobicContact CB-CB 4.04Å; L354-A397 HydrophobicContact CD1-CB 4.19Å; L354-A397 HydrophobicContact CD2-CB 3.97Å; L354-A397 HydrophobicContact CG-CB 4.31Å; L354-I600 HydrophobicContact CB-CD1 4.14Å; L354-I600 HydrophobicContact CB-CG2 4.45Å
355L90.9Very high89.1Confident10 Ų1037.1 Ų37.15%0.05217%0.174CC..Hα-helixtrans-62.4-47.9172.8-17071.8000111.6T351 K352 I353 A357 A358 Q359 L595 S596 L597 I600T351-L355 PolarHBondContact O-N 2.92Å; K352-L355 WeakPolarHBondContact O-CA 3.43Å; K352-L355 VanDerWaalsContact O-CB 3.23Å; K352-L355 WeakPolarHBondContact O-CB 3.18Å; K352-L355 PolarHBondContact O-N 3.17Å; K352-L355 VanDerWaalsContact O-N 3.12Å; I353-L355 VanDerWaalsContact C-N 3.26Å; I353-L355 PolarHBondContact O-N 3.04Å; L355-A357 VanDerWaalsContact C-N 3.27Å; L355-A357 PolarHBondContact O-N 3.12Å; L355-A358 PolarHBondContact O-N 2.97Å; L355-Q359 HydrophobicContact CG-CG 4.35Å; L355-Q359 WeakPolarHBondContact O-CB 3.48Å; L355-Q359 WeakPolarHBondContact O-CG 3.18Å; L355-Q359 PolarHBondContact O-N 3.31Å; L355-L595 HydrophobicContact CD1-CB 3.37Å; L355-L595 HydrophobicContact CD1-CD1 4.08Å; L355-L595 HydrophobicContact CD1-CG 4.38Å; L355-L595 HydrophobicContact CG-CB 4.32Å; L355-S596 WeakPolarHBondContact CD1-O 3Å; L355-L597 HydrophobicContact CB-CD2 3.99Å; L355-L597 HydrophobicContact CD2-CD2 3.54Å; L355-L597 HydrophobicContact CD2-CG 3.8Å; L355-L597 HydrophobicContact CG-CD2 4.3Å; L355-I600 HydrophobicContact CB-CD1 3.7Å; L355-I600 HydrophobicContact CD1-CD1 3.66Å; L355-I600 HydrophobicContact CD1-CG1 4.22Å; L355-I600 HydrophobicContact CG-CD1 4.32Å
356F91.9Very high89Confident5 Ų536.4 Ų36.42%0.02217%0.17CC..Hα-helixtrans-61.8-39.2179.2-51.8-27.4000111.2M315 M318 N319 S322 K352 I353 Q359 A360M315-F356 HydrophobicContact CB-CE2 4.41Å; M318-F356 HydrophobicContact CB-CD2 3.68Å; M318-F356 HydrophobicContact CB-CE2 4.07Å; M318-F356 HydrophobicContact CB-CG 4.45Å; N319-F356 HydrophobicContact CB-CD1 3.93Å; N319-F356 HydrophobicContact CB-CE1 3.38Å; N319-F356 HydrophobicContact CB-CE2 4.29Å; N319-F356 HydrophobicContact CB-CZ 3.59Å; S322-F356 WeakPolarHBondContact CB-O 3.31Å; K352-F356 HydrophobicContact CB-CE1 4.39Å; K352-F356 HydrophobicContact CB-CE2 4.14Å; K352-F356 HydrophobicContact CB-CZ 3.81Å; K352-F356 VanDerWaalsContact O-CD1 3.23Å; K352-F356 WeakPolarHBondContact O-CD1 3.46Å; K352-F356 VanDerWaalsContact O-CD2 3.28Å; K352-F356 WeakPolarHBondContact O-CD2 3.49Å; K352-F356 WeakPolarHBondContact O-CE1 3.18Å; K352-F356 WeakPolarHBondContact O-CG 3.34Å; K352-F356 PolarHBondContact O-N 3.07Å; I353-F356 PolarHBondContact O-N 3.41Å; F356-Q359 PolarHBondContact O-N 3.11Å; F356-A360 VanDerWaalsContact O-CB 3.31Å; F356-A360 WeakPolarHBondContact O-CB 3.38Å; F356-A360 PolarHBondContact O-N 3.23Å
357A91.9Very high88.9Confident0 Ų029.2 Ų29.20%014%0.14CC..Hα-helixtrans-61-45.8174.200000112.2L339 I353 L354 L355 S361 L373L339-A357 HydrophobicContact CD1-CB 4.03Å; I353-A357 PolarHBondContact O-N 3.06Å; L354-A357 PolarHBondContact O-N 2.99Å; L355-A357 VanDerWaalsContact C-N 3.27Å; L355-A357 PolarHBondContact O-N 3.12Å; A357-S361 PolarHBondContact O-N 2.62Å; A357-S361 PolarHBondContact O-OG 3.49Å; A357-L373 HydrophobicContact CB-CD2 4.21Å
358A90.7Very high89Confident0 Ų033.7 Ų33.70%016%0.161CC..Hα-helixtrans-70.4-33.2178.700000113.2L354 L355 E400 I401 R404 L595L354-A358 WeakPolarHBondContact O-CB 3.39Å; L354-A358 PolarHBondContact O-N 3.36Å; L355-A358 PolarHBondContact O-N 2.97Å; A358-E400 HydrophobicContact CB-CB 3.98Å; A358-I401 HydrophobicContact CB-CG1 3.81Å; A358-R404 WeakPolarHBondContact O-CD 3.28Å; A358-L595 HydrophobicContact CB-CD1 3.36Å
359Q88.3Confident89.2Confident8 Ų829 Ų294%0.03715%0.146CC..Hα-helixtrans-70.2-40.1175.2-75.2177.1-14.200112.1S322 G326 L355 F356 S361 L595S322-Q359 PolarHBondContact OG-OE1 3.31Å; G326-Q359 VanDerWaalsContact CA-O 3.27Å; G326-Q359 WeakPolarHBondContact CA-O 3.49Å; L355-Q359 HydrophobicContact CG-CG 4.35Å; L355-Q359 WeakPolarHBondContact O-CB 3.48Å; L355-Q359 WeakPolarHBondContact O-CG 3.18Å; L355-Q359 PolarHBondContact O-N 3.31Å; F356-Q359 PolarHBondContact O-N 3.11Å; Q359-S361 PolarHBondContact O-N 3.27Å; Q359-L595 HydrophobicContact CG-CB 3.79Å; Q359-L595 HydrophobicContact CG-CD1 3.96Å; Q359-L595 HydrophobicContact CG-CG 4.01Å; Q359-L595 PolarHBondContact NE2-O 2.82Å
360A90.8Very high89.3Confident0 Ų026.4 Ų26.40%013%0.133CC..THydrogen-bonded Turntrans-77.2-1.1179.800000114.2V325 F335 Y336 F356V325-A360 HydrophobicContact CB-CB 4.2Å; V325-A360 HydrophobicContact CG1-CB 3.99Å; V325-A360 VanDerWaalsContact CG1-O 3.29Å; V325-A360 WeakPolarHBondContact CG1-O 3.3Å; F335-A360 HydrophobicContact CD1-CB 4.01Å; F335-A360 HydrophobicContact CE1-CB 3.7Å; Y336-A360 HydrophobicContact CE1-CB 4.19Å; Y336-A360 PolarHBondContact OH-O 2.99Å; F356-A360 VanDerWaalsContact O-CB 3.31Å; F356-A360 WeakPolarHBondContact O-CB 3.38Å; F356-A360 PolarHBondContact O-N 3.23Å
361S89.4Confident89.4Confident0 Ų029.7 Ų29.70%015%0.148CC..  trans-88.2123.4179.2-61.20000109.5A357 Q359 R404A357-S361 PolarHBondContact O-N 2.62Å; A357-S361 PolarHBondContact O-OG 3.49Å; Q359-S361 PolarHBondContact O-N 3.27Å; S361-R404 VanDerWaalsContact O-CB 3.28Å; S361-R404 WeakPolarHBondContact O-CB 3.44Å; S361-R404 WeakPolarHBondContact O-CD 3.48Å
362H87.4Confident89.5Confident9 Ų931.1 Ų31.14%0.04216%0.159CC..  trans-140.3165.1174.56188.2000111.6E329 L330 L364 V365 C405E329-H362 HydrophobicContact CG-CB 4.49Å; E329-H362 PolarHBondContact O-CE1 3.13Å; L330-H362 PolarHBondContact O-NE2 3.31Å; L330-H362 VanDerWaalsContact O-NE2 3.09Å; H362-L364 VanDerWaalsContact C-N 3.25Å; H362-L364 PolarHBondContact ND1-N 2.99Å; H362-L364 PolarHBondContact O-N 3.46Å; H362-V365 VanDerWaalsContact CD2-CG2 3.46Å; H362-V365 WeakPolarHBondContact CD2-CG2 3.48Å; H362-V365 WeakPolarHBondContact CE1-CG2 3.37Å; H362-V365 WeakPolarHBondContact NE2-CG2 3.1Å; H362-V365 WeakPolarHBondContact O-CG2 3.4Å; H362-V365 PolarHBondContact O-N 3.22Å; H362-V365 VanDerWaalsContact O-N 3.08Å; H362-C405 PolarHBondContact N-SG 3.34Å; H362-C405 PolarHBondContact O-SG 3.33Å
363H83.4Confident89.6Confident95 Ų9527.8 Ų27.844%0.4414%0.144SC..THydrogen-bonded Turntrans-60.7-29.7-171.163.388.3000114.1E329 V365E329-H363 IonicContact OE1-CD2 2.83Å; E329-H363 PolarHBondContact OE1-CD2 3.02Å; E329-H363 IonicContact OE1-CE1 3.08Å; E329-H363 IonicContact OE1-NE2 3.93Å; E329-H363 PolarHBondContact OE1-NE2 3.38Å; E329-H363 IonicContact OE2-CE1 2.98Å; E329-H363 IonicContact OE2-NE2 2.71Å; E329-H363 PolarHBondContact OE2-NE2 3.29Å; H363-V365 VanDerWaalsContact C-N 3.33Å; H363-V365 PolarHBondContact O-N 2.88Å
364L85.9Confident89.6Confident49 Ų4927.8 Ų27.826%0.25714%0.144SC..THydrogen-bonded Turntrans-77.8-7.4177.4-54175.2000114.8E329 F331 H362 Y467E329-L364 HydrophobicContact CB-CD1 4.16Å; F331-L364 HydrophobicContact CE1-CB 3.86Å; F331-L364 WeakPolarHBondContact CE1-O 3.19Å; F331-L364 HydrophobicContact CZ-CB 3.99Å; F331-L364 HydrophobicContact CZ-CD1 4.16Å; H362-L364 VanDerWaalsContact C-N 3.25Å; H362-L364 PolarHBondContact ND1-N 2.99Å; H362-L364 PolarHBondContact O-N 3.46Å; L364-Y467 VanDerWaalsContact O-CE2 3.29Å; L364-Y467 WeakPolarHBondContact O-CE2 3.4Å; L364-Y467 PolarHBondContact O-OH 3.38Å
365V85.9Confident89.6Confident5 Ų532 Ų323%0.0317%0.165CC..SBendtrans-77.5134177.2-172.10000109.9Y336 H362 H363 I370 Y467Y336-V365 HydrophobicContact CE2-CG1 3.85Å; Y336-V365 VanDerWaalsContact OH-CG2 3.27Å; Y336-V365 WeakPolarHBondContact OH-CG2 3.32Å; H362-V365 VanDerWaalsContact CD2-CG2 3.46Å; H362-V365 WeakPolarHBondContact CD2-CG2 3.48Å; H362-V365 WeakPolarHBondContact CE1-CG2 3.37Å; H362-V365 WeakPolarHBondContact NE2-CG2 3.1Å; H362-V365 WeakPolarHBondContact O-CG2 3.4Å; H362-V365 PolarHBondContact O-N 3.22Å; H362-V365 VanDerWaalsContact O-N 3.08Å; H363-V365 VanDerWaalsContact C-N 3.33Å; H363-V365 PolarHBondContact O-N 2.88Å; V365-I370 HydrophobicContact CB-CD1 4.49Å; V365-I370 HydrophobicContact CB-CG1 4.23Å; V365-I370 HydrophobicContact CG1-CD1 3.95Å; V365-I370 HydrophobicContact CG1-CG1 3.85Å; V365-Y467 WeakPolarHBondContact O-CE2 3.48Å
366P87.8Confident89.7Confident30 Ų3033 Ų3320%0.19517%0.172CC..  trans-52.6128.5174.9-27.634.9000111.9F333 E368 I369F333-P366 VanDerWaalsContact CE1-CD 3.41Å; F333-P366 HydrophobicContact CE1-CG 3.98Å; F333-P366 HydrophobicContact CZ-CG 4.17Å; P366-E368 PolarHBondContact O-N 3.42Å; P366-I369 HydrophobicContact CB-CD1 4.25Å; P366-I369 HydrophobicContact CG-CD1 4.29Å; P366-I369 PolarHBondContact O-N 3.42Å
367P86.1Confident89.8Confident35 Ų3532.8 Ų32.823%0.22717%0.171CC..Hα-helixtrans-64.2-27.4-172.823.4-33000112.9I369 I370 Q371 L407 A408P367-I369 VanDerWaalsContact C-N 3.32Å; P367-I369 PolarHBondContact O-N 3.37Å; P367-I370 PolarHBondContact O-N 2.75Å; P367-Q371 WeakPolarHBondContact O-CB 3.42Å; P367-Q371 PolarHBondContact O-N 2.71Å; P367-L407 HydrophobicContact CB-CB 4.14Å; P367-A408 HydrophobicContact CB-CB 4.5Å
368E89.4Confident89.8Confident156 Ų15633.1 Ų33.173%0.72917%0.174SC*.Hα-helixtrans-59.7-39.9179.2-61-178.4177.400112.9P366 Q371 S372P366-E368 PolarHBondContact O-N 3.42Å; E368-Q371 PolarHBondContact O-N 2.99Å; E368-S372 PolarHBondContact O-N 3.28Å
369I89.8Confident90Very high40 Ų4037.4 Ų37.421%0.20520%0.197CC..Hα-helixtrans-69.2-45.3-179.2-60.2171.7000109.8F333 Y336 P366 P367 Q371 S372 L373F333-I369 HydrophobicContact CB-CD1 3.89Å; F333-I369 HydrophobicContact CD1-CD1 3.65Å; F333-I369 HydrophobicContact CE1-CD1 4.42Å; F333-I369 HydrophobicContact CG-CD1 3.82Å; Y336-I369 HydrophobicContact CD2-CG2 3.53Å; Y336-I369 HydrophobicContact CE2-CG2 4.38Å; Y336-I369 HydrophobicContact CG-CG2 3.81Å; P366-I369 HydrophobicContact CB-CD1 4.25Å; P366-I369 HydrophobicContact CG-CD1 4.29Å; P366-I369 PolarHBondContact O-N 3.42Å; P367-I369 VanDerWaalsContact C-N 3.32Å; P367-I369 PolarHBondContact O-N 3.37Å; I369-Q371 VanDerWaalsContact C-N 3.33Å; I369-S372 PolarHBondContact O-N 2.96Å; I369-L373 PolarHBondContact O-N 3.41Å
370I90.8Very high90.2Very high0 Ų039.8 Ų39.80%021%0.21CC..Hα-helixtrans-69.6-33177.8-56.7-59.8000110.9Y336 V365 P367 L373 L374 I401 C405 A408Y336-I370 HydrophobicContact CD1-CD1 3.71Å; Y336-I370 HydrophobicContact CE1-CD1 3.43Å; Y336-I370 VanDerWaalsContact CE1-CD1 3.43Å; Y336-I370 HydrophobicContact CE2-CD1 4.46Å; Y336-I370 HydrophobicContact CG-CD1 4.34Å; V365-I370 HydrophobicContact CB-CD1 4.49Å; V365-I370 HydrophobicContact CB-CG1 4.23Å; V365-I370 HydrophobicContact CG1-CD1 3.95Å; V365-I370 HydrophobicContact CG1-CG1 3.85Å; P367-I370 PolarHBondContact O-N 2.75Å; I370-L373 HydrophobicContact CD1-CD2 4.42Å; I370-L373 WeakPolarHBondContact O-CB 3.38Å; I370-L373 PolarHBondContact O-N 3.01Å; I370-L374 HydrophobicContact CG2-CD1 4.38Å; I370-L374 HydrophobicContact CG2-CG 4.37Å; I370-L374 WeakPolarHBondContact O-CB 3.21Å; I370-L374 WeakPolarHBondContact O-CG 3.38Å; I370-L374 PolarHBondContact O-N 3.48Å; I370-I401 HydrophobicContact CG2-CG2 3.51Å; I370-C405 HydrophobicContact CG2-CB 4.36Å; I370-A408 HydrophobicContact CB-CB 3.66Å; I370-A408 HydrophobicContact CG2-CB 3.45Å; I370-A408 VanDerWaalsContact CG2-CB 3.45Å
371Q91.9Very high90.3Very high83 Ų8339.9 Ų39.939%0.38821%0.21SC..Hα-helixtrans-62.9-44.3174.9-178.6-176.4-16.300111.2P367 E368 I369 L373 L374 M375 T410P367-Q371 WeakPolarHBondContact O-CB 3.42Å; P367-Q371 PolarHBondContact O-N 2.71Å; E368-Q371 PolarHBondContact O-N 2.99Å; I369-Q371 VanDerWaalsContact C-N 3.33Å; Q371-L373 VanDerWaalsContact C-N 3.28Å; Q371-L373 PolarHBondContact O-N 2.9Å; Q371-L374 PolarHBondContact O-N 2.97Å; Q371-M375 WeakPolarHBondContact O-CB 3.28Å; Q371-M375 PolarHBondContact O-N 3.29Å; Q371-T410 HydrophobicContact CG-CG2 4.13Å
372S92.6Very high90.4Very high58 Ų5840.5 Ų40.541%0.40621%0.214SC..Hα-helixtrans-58.6-41.1173.6178.80000111.9Q340 E368 I369 T376Q340-S372 PolarHBondContact NE2-OG 3.47Å; E368-S372 PolarHBondContact O-N 3.28Å; I369-S372 PolarHBondContact O-N 2.96Å; S372-T376 PolarHBondContact O-N 3.3Å; S372-T376 PolarHBondContact O-OG1 3.14Å
373L91.9Very high90.5Very high0 Ų042 Ų420%022%0.224CC..Hα-helixtrans-64-47.1175-177.574.6000111.9Y336 Q340 L343 A357 I369 I370 Q371 M375 T376 V377 I401Y336-L373 HydrophobicContact CD1-CD2 4.07Å; Q340-L373 HydrophobicContact CG-CD1 3.75Å; L343-L373 HydrophobicContact CD1-CD1 3.49Å; L343-L373 VanDerWaalsContact CD1-CD1 3.49Å; L343-L373 HydrophobicContact CD1-CG 4.44Å; A357-L373 HydrophobicContact CB-CD2 4.21Å; I369-L373 PolarHBondContact O-N 3.41Å; I370-L373 HydrophobicContact CD1-CD2 4.42Å; I370-L373 WeakPolarHBondContact O-CB 3.38Å; I370-L373 PolarHBondContact O-N 3.01Å; Q371-L373 VanDerWaalsContact C-N 3.28Å; Q371-L373 PolarHBondContact O-N 2.9Å; L373-M375 VanDerWaalsContact C-N 3.34Å; L373-M375 PolarHBondContact O-N 3.04Å; L373-T376 WeakPolarHBondContact O-CB 3.28Å; L373-T376 PolarHBondContact O-N 3.3Å; L373-V377 WeakPolarHBondContact O-CG2 3.3Å; L373-V377 PolarHBondContact O-N 3.26Å; L373-I401 HydrophobicContact CD2-CD1 4.49Å
374L92.5Very high90.5Very high0 Ų044 Ų440%024%0.238CC..Hα-helixtrans-59.9-44176.8-77.3175.5000111.8I370 Q371 T376 V377 A378 I398 I401 T402 A408 L413I370-L374 HydrophobicContact CG2-CD1 4.38Å; I370-L374 HydrophobicContact CG2-CG 4.37Å; I370-L374 WeakPolarHBondContact O-CB 3.21Å; I370-L374 WeakPolarHBondContact O-CG 3.38Å; I370-L374 PolarHBondContact O-N 3.48Å; Q371-L374 PolarHBondContact O-N 2.97Å; L374-T376 VanDerWaalsContact C-N 3.32Å; L374-T376 PolarHBondContact O-N 3.48Å; L374-V377 PolarHBondContact O-N 3.27Å; L374-A378 WeakPolarHBondContact O-CB 3.45Å; L374-A378 PolarHBondContact O-N 3.07Å; L374-I398 HydrophobicContact CD2-CB 4.15Å; L374-I398 HydrophobicContact CD2-CG1 3.92Å; L374-I398 HydrophobicContact CD2-CG2 3.95Å; L374-I401 HydrophobicContact CD1-CG2 4.44Å; L374-I401 HydrophobicContact CD2-CB 3.97Å; L374-I401 HydrophobicContact CD2-CD1 4.08Å; L374-I401 HydrophobicContact CD2-CG2 3.73Å; L374-I401 HydrophobicContact CG-CG2 4.08Å; L374-T402 HydrophobicContact CD1-CG2 3.87Å; L374-T402 HydrophobicContact CD2-CG2 4.31Å; L374-A408 HydrophobicContact CD1-CB 3.81Å; L374-A408 WeakPolarHBondContact CD1-O 3.39Å; L374-L413 HydrophobicContact CB-CD2 4.44Å
375M92.8Very high90.6Very high89 Ų8951.2 Ų51.244%0.43827%0.267SS..Hα-helixtrans-64.8-38.6178.7-166.758178.700111.4Q371 L373 A378 N379Q371-M375 WeakPolarHBondContact O-CB 3.28Å; Q371-M375 PolarHBondContact O-N 3.29Å; L373-M375 VanDerWaalsContact C-N 3.34Å; L373-M375 PolarHBondContact O-N 3.04Å; M375-A378 PolarHBondContact O-N 2.9Å; M375-N379 WeakPolarHBondContact CE-OD1 3.48Å; M375-N379 VanDerWaalsContact O-CB 3.3Å; M375-N379 WeakPolarHBondContact O-CB 3.31Å; M375-N379 PolarHBondContact O-N 3.46Å; M375-N379 PolarHBondContact O-ND2 2.83Å
376T92.8Very high90.7Very high31 Ų3153 Ų5319%0.1928%0.276CS..Hα-helixtrans-61.6-44173.4-57.20000111.6L343 S372 L373 L374 N380L343-T376 HydrophobicContact CB-CG2 4.26Å; S372-T376 PolarHBondContact O-N 3.3Å; S372-T376 PolarHBondContact O-OG1 3.14Å; L373-T376 WeakPolarHBondContact O-CB 3.28Å; L373-T376 PolarHBondContact O-N 3.3Å; L374-T376 VanDerWaalsContact C-N 3.32Å; L374-T376 PolarHBondContact O-N 3.48Å; T376-N380 VanDerWaalsContact O-CB 3.29Å; T376-N380 WeakPolarHBondContact O-CB 3.49Å; T376-N380 PolarHBondContact O-N 3.38Å
377V93.2Very high90.8Very high0 Ų054.5 Ų54.50%029%0.287CS..Hα-helixtrans-64-45.7175.9178.20000111L343 L354 L373 L374 N380 F381 I398L343-V377 HydrophobicContact CD1-CG2 3.8Å; L354-V377 HydrophobicContact CD2-CG1 4.14Å; L354-V377 HydrophobicContact CD2-CG2 3.77Å; L373-V377 WeakPolarHBondContact O-CG2 3.3Å; L373-V377 PolarHBondContact O-N 3.26Å; L374-V377 PolarHBondContact O-N 3.27Å; V377-N380 PolarHBondContact O-N 2.94Å; V377-F381 HydrophobicContact CG1-CB 4.49Å; V377-F381 HydrophobicContact CG1-CD2 4.1Å; V377-F381 HydrophobicContact CG1-CG 4.44Å; V377-F381 VanDerWaalsContact O-CB 3.27Å; V377-F381 WeakPolarHBondContact O-CB 3.28Å; V377-F381 WeakPolarHBondContact O-CD2 3.15Å; V377-F381 PolarHBondContact O-N 2.91Å; V377-I398 HydrophobicContact CB-CG1 4.3Å; V377-I398 HydrophobicContact CG1-CD1 4.09Å; V377-I398 HydrophobicContact CG1-CG1 3.88Å
378A93.2Very high90.9Very high8 Ų853.6 Ų53.67%0.06628%0.284CS..Hα-helixtrans-60.1-51.8179.100000111.5L374 M375 N380 V382 I398 L413L374-A378 WeakPolarHBondContact O-CB 3.45Å; L374-A378 PolarHBondContact O-N 3.07Å; M375-A378 PolarHBondContact O-N 2.9Å; A378-N380 VanDerWaalsContact C-N 3.34Å; A378-N380 PolarHBondContact O-N 3Å; A378-V382 CarbonylContact O-C 3.53Å; A378-V382 WeakPolarHBondContact O-CA 3.37Å; A378-V382 WeakPolarHBondContact O-CB 3.42Å; A378-V382 PolarHBondContact O-N 3.37Å; A378-I398 HydrophobicContact CB-CD1 4.23Å; A378-L413 HydrophobicContact CB-CD1 3.68Å; A378-L413 HydrophobicContact CB-CD2 4.46Å
379N93Very high90.9Very high90 Ų9051.1 Ų51.148%0.48127%0.273SS..Hα-helixtrans-65-33.6-177.9-69.9-19.5000113.5M375 T383M375-N379 WeakPolarHBondContact CE-OD1 3.48Å; M375-N379 VanDerWaalsContact O-CB 3.3Å; M375-N379 WeakPolarHBondContact O-CB 3.31Å; M375-N379 PolarHBondContact O-N 3.46Å; M375-N379 PolarHBondContact O-ND2 2.83Å; N379-T383 WeakPolarHBondContact O-CG2 3.42Å
380N92.9Very high90.9Very high58 Ų5850.9 Ų50.931%0.3127%0.273SS..Hα-helixtrans-91.5-33.8-176.6-68.9-12.8000113L343 P345 T376 V377 A378 N386L343-N380 PolarHBondContact O-ND2 3.04Å; P345-N380 WeakPolarHBondContact CG-O 3.43Å; T376-N380 VanDerWaalsContact O-CB 3.29Å; T376-N380 WeakPolarHBondContact O-CB 3.49Å; T376-N380 PolarHBondContact O-N 3.38Å; V377-N380 PolarHBondContact O-N 2.94Å; A378-N380 VanDerWaalsContact C-N 3.34Å; A378-N380 PolarHBondContact O-N 3Å; N380-N386 PolarHBondContact O-ND2 3.25Å
381F93.1Very high90.9Very high2 Ų251.1 Ų51.11%0.00927%0.274CS..Hα-helixtrans-103.7-40.2-173.6-69-103.3000113.2L343 P345 V350 L354 V377 T383 N386 V390L343-F381 HydrophobicContact CB-CE2 4.34Å; P345-F381 HydrophobicContact CB-CE1 4.42Å; P345-F381 HydrophobicContact CG-CD1 4.22Å; P345-F381 HydrophobicContact CG-CE1 4.24Å; P345-F381 HydrophobicContact CG-CG 4.37Å; P345-F381 HydrophobicContact CG-CZ 4.41Å; V350-F381 HydrophobicContact CG1-CE1 4.05Å; V350-F381 HydrophobicContact CG1-CZ 4.25Å; V350-F381 HydrophobicContact CG2-CE1 4.29Å; V350-F381 HydrophobicContact CG2-CZ 3.65Å; L354-F381 HydrophobicContact CD1-CD1 4.38Å; L354-F381 HydrophobicContact CD1-CE1 3.89Å; L354-F381 HydrophobicContact CD1-CZ 4.06Å; V377-F381 HydrophobicContact CG1-CB 4.49Å; V377-F381 HydrophobicContact CG1-CD2 4.1Å; V377-F381 HydrophobicContact CG1-CG 4.44Å; V377-F381 VanDerWaalsContact O-CB 3.27Å; V377-F381 WeakPolarHBondContact O-CB 3.28Å; V377-F381 WeakPolarHBondContact O-CD2 3.15Å; V377-F381 PolarHBondContact O-N 2.91Å; F381-T383 VanDerWaalsContact C-N 3.33Å; F381-T383 PolarHBondContact O-N 3.39Å; F381-N386 VanDerWaalsContact C-ND2 3.34Å; F381-N386 WeakPolarHBondContact CA-ND2 3.47Å; F381-N386 PolarHBondContact O-ND2 3.12Å; F381-V390 HydrophobicContact CB-CG1 4.3Å; F381-V390 HydrophobicContact CD1-CG1 3.62Å; F381-V390 HydrophobicContact CE1-CG1 4.36Å; F381-V390 HydrophobicContact CG-CG1 4.33Å
382V91.3Very high90.9Very high12 Ų1247.1 Ų47.17%0.07326%0.256CS..SBendtrans-9663-174-165.10000109.7A378 M391 I395 I398 L417 Y420A378-V382 CarbonylContact O-C 3.53Å; A378-V382 WeakPolarHBondContact O-CA 3.37Å; A378-V382 WeakPolarHBondContact O-CB 3.42Å; A378-V382 PolarHBondContact O-N 3.37Å; V382-M391 HydrophobicContact CG1-CE 4.26Å; V382-I395 HydrophobicContact CG1-CD1 4.4Å; V382-I395 HydrophobicContact CG1-CG1 4.28Å; V382-I395 HydrophobicContact CG2-CG1 3.98Å; V382-I398 HydrophobicContact CG2-CD1 4.37Å; V382-L417 HydrophobicContact CB-CD2 4.35Å; V382-L417 HydrophobicContact CG1-CD2 3.86Å; V382-L417 HydrophobicContact CG2-CD2 4.27Å; V382-Y420 HydrophobicContact CG1-CD2 4.24Å; V382-Y420 HydrophobicContact CG1-CE2 3.54Å
383T89.3Confident90.9Very high41 Ų4145.1 Ų45.125%0.25224%0.241SC..SBendtrans-124.7150.9174.8690000110.3N379 F381 K385 N386N379-T383 WeakPolarHBondContact O-CG2 3.42Å; F381-T383 VanDerWaalsContact C-N 3.33Å; F381-T383 PolarHBondContact O-N 3.39Å; T383-K385 PolarHBondContact O-N 3.43Å; T383-N386 PolarHBondContact O-N 2.9Å; T383-N386 PolarHBondContact OG1-ND2 3.15Å
384D85Confident90.9Very high137 Ų13745.1 Ų45.173%0.73324%0.241SC*.THydrogen-bonded Turntrans-63.7-14.5179.6-66.7-21.8000113.6
385K87.1Confident91Very high200 Ų20045.1 Ų45.187%0.8724%0.241SC*.THydrogen-bonded Turntrans-76.5-25.4175.8-64.5-177-178.5178.30112.5T383T383-K385 PolarHBondContact O-N 3.43Å
386N88.1Confident90.9Very high42 Ų4241 Ų4123%0.22522%0.22CC..SBendtrans-84159.1-176.1-71.4-31.8000111.7N380 F381 T383 V390 M391N380-N386 PolarHBondContact O-ND2 3.25Å; F381-N386 VanDerWaalsContact C-ND2 3.34Å; F381-N386 WeakPolarHBondContact CA-ND2 3.47Å; F381-N386 PolarHBondContact O-ND2 3.12Å; T383-N386 PolarHBondContact O-N 2.9Å; T383-N386 PolarHBondContact OG1-ND2 3.15Å; N386-V390 HydrophobicContact CB-CB 4.19Å; N386-V390 HydrophobicContact CB-CG1 4.02Å; N386-M391 HydrophobicContact CB-CG 4.28Å
387S90Very high90.9Very high62 Ų6239.5 Ų39.543%0.43421%0.211SC..  trans-67.8152.2174.473.50000110.9E389 V390 M391S387-E389 PolarHBondContact O-N 3.17Å; S387-V390 PolarHBondContact O-N 2.87Å; S387-V390 WeakPolarHBondContact OG-CG2 3.35Å; S387-V390 PolarHBondContact OG-N 3.13Å; S387-M391 WeakPolarHBondContact O-CG 3.32Å; S387-M391 PolarHBondContact O-N 3.18Å
388G88.8Confident90.9Very high16 Ų1639.5 Ų39.517%0.16521%0.211CC..Hα-helixtrans-57.8-22.8176.800000113.7T392 V428G388-T392 WeakPolarHBondContact O-CB 3.22Å; G388-T392 PolarHBondContact O-N 2.99Å; G388-T392 VanDerWaalsContact O-N 3.1Å; G388-T392 PolarHBondContact O-OG1 3.5Å; G388-V428 VanDerWaalsContact O-CG2 3.23Å; G388-V428 WeakPolarHBondContact O-CG2 3.28Å
389E88.4Confident90.8Very high105 Ų10540.5 Ų40.549%0.49121%0.214SC..Hα-helixtrans-72.5-47.2174.4-65.6178.4172.800111.8S387 M391 T392 V393 L603S387-E389 PolarHBondContact O-N 3.17Å; E389-M391 VanDerWaalsContact C-N 3.32Å; E389-M391 PolarHBondContact O-N 2.86Å; E389-T392 WeakPolarHBondContact O-CB 3.46Å; E389-T392 PolarHBondContact O-N 3.38Å; E389-T392 VanDerWaalsContact O-N 3.13Å; E389-V393 WeakPolarHBondContact O-CG2 3.24Å; E389-V393 PolarHBondContact O-N 3Å; E389-L603 HydrophobicContact CB-CD2 4.44Å; E389-L603 HydrophobicContact CG-CD1 4.42Å; E389-L603 HydrophobicContact CG-CD2 4.22Å
390V90.9Very high90.6Very high35 Ų3536.8 Ų36.821%0.21219%0.194CC..Hα-helixtrans-61.6-42.1176.5173.70000110.6P345 F381 N386 S387 T392 V393 G394P345-V390 HydrophobicContact CB-CG1 3.85Å; P345-V390 HydrophobicContact CG-CG1 4.03Å; F381-V390 HydrophobicContact CB-CG1 4.3Å; F381-V390 HydrophobicContact CD1-CG1 3.62Å; F381-V390 HydrophobicContact CE1-CG1 4.36Å; F381-V390 HydrophobicContact CG-CG1 4.33Å; N386-V390 HydrophobicContact CB-CB 4.19Å; N386-V390 HydrophobicContact CB-CG1 4.02Å; S387-V390 PolarHBondContact O-N 2.87Å; S387-V390 WeakPolarHBondContact OG-CG2 3.35Å; S387-V390 PolarHBondContact OG-N 3.13Å; V390-T392 VanDerWaalsContact C-N 3.33Å; V390-T392 PolarHBondContact O-N 3.38Å; V390-V393 PolarHBondContact O-N 3.35Å; V390-G394 PolarHBondContact O-N 3.33Å
391M91.1Very high90.5Very high4 Ų434 Ų342%0.0218%0.179CC..Hα-helixtrans-62.6-39.8174.7-64.3177.278.300112.1V382 N386 S387 E389 G394 I395 Y420 V428V382-M391 HydrophobicContact CG1-CE 4.26Å; N386-M391 HydrophobicContact CB-CG 4.28Å; S387-M391 WeakPolarHBondContact O-CG 3.32Å; S387-M391 PolarHBondContact O-N 3.18Å; E389-M391 VanDerWaalsContact C-N 3.32Å; E389-M391 PolarHBondContact O-N 2.86Å; M391-G394 PolarHBondContact O-N 3.23Å; M391-I395 WeakPolarHBondContact O-CG1 3.47Å; M391-I395 PolarHBondContact O-N 3.07Å; M391-Y420 HydrophobicContact CE-CD1 4.03Å; M391-Y420 HydrophobicContact CE-CE1 3.37Å; M391-V428 HydrophobicContact CB-CG1 4.47Å; M391-V428 HydrophobicContact CB-CG2 3.88Å; M391-V428 HydrophobicContact CE-CG1 4.37Å
392T91.1Very high90.4Very high0 Ų034 Ų340%018%0.179CC..Hα-helixtrans-63.2-46.3177.4-58.80000110.7G388 E389 V390 G394 I395 N396 N427 V428 S431 L603G388-T392 WeakPolarHBondContact O-CB 3.22Å; G388-T392 PolarHBondContact O-N 2.99Å; G388-T392 VanDerWaalsContact O-N 3.1Å; G388-T392 PolarHBondContact O-OG1 3.5Å; E389-T392 WeakPolarHBondContact O-CB 3.46Å; E389-T392 PolarHBondContact O-N 3.38Å; E389-T392 VanDerWaalsContact O-N 3.13Å; V390-T392 VanDerWaalsContact C-N 3.33Å; V390-T392 PolarHBondContact O-N 3.38Å; T392-G394 PolarHBondContact O-N 3.29Å; T392-I395 PolarHBondContact O-N 3.48Å; T392-N396 WeakPolarHBondContact O-CB 3.35Å; T392-N396 PolarHBondContact O-N 3.48Å; T392-N396 PolarHBondContact O-ND2 2.97Å; T392-N427 HydrophobicContact CG2-CB 3.91Å; T392-N427 WeakPolarHBondContact OG1-CB 3.4Å; T392-V428 PolarHBondContact OG1-N 2.82Å; T392-S431 WeakPolarHBondContact CG2-OG 3.5Å; T392-L603 HydrophobicContact CG2-CD2 4.18Å
393V91.9Very high90.2Very high15 Ų1534.1 Ų34.19%0.09118%0.182CC..Hα-helixtrans-59.3-45175.6164.90000111.1T351 L354 E389 V390 N396 A397 I600T351-V393 HydrophobicContact CG2-CG1 3.96Å; T351-V393 HydrophobicContact CG2-CG2 4.31Å; L354-V393 HydrophobicContact CD1-CG1 3.52Å; E389-V393 WeakPolarHBondContact O-CG2 3.24Å; E389-V393 PolarHBondContact O-N 3Å; V390-V393 PolarHBondContact O-N 3.35Å; V393-N396 PolarHBondContact O-N 3Å; V393-A397 WeakPolarHBondContact O-CB 3.27Å; V393-A397 PolarHBondContact O-N 3.35Å; V393-I600 HydrophobicContact CG1-CG2 3.82Å
394G93.5Very high90Very high0 Ų035.1 Ų35.10%018%0.181CC..Hα-helixtrans-60.3-49.5177.100000112.8V390 M391 T392 N396 A397 I398V390-G394 PolarHBondContact O-N 3.33Å; M391-G394 PolarHBondContact O-N 3.23Å; T392-G394 PolarHBondContact O-N 3.29Å; G394-N396 PolarHBondContact O-N 3.22Å; G394-A397 PolarHBondContact O-N 3.3Å; G394-I398 VanDerWaalsContact O-CG1 3.32Å; G394-I398 WeakPolarHBondContact O-CG1 3.35Å; G394-I398 PolarHBondContact O-N 3.08Å
395I92.7Very high90.1Very high0 Ų029 Ų290%015%0.149CC..Hα-helixtrans-65.5-39.4179.1-63.3170.7000111.2V382 M391 T392 I398 K399 L417 Y420 V428 L435V382-I395 HydrophobicContact CG1-CD1 4.4Å; V382-I395 HydrophobicContact CG1-CG1 4.28Å; V382-I395 HydrophobicContact CG2-CG1 3.98Å; M391-I395 WeakPolarHBondContact O-CG1 3.47Å; M391-I395 PolarHBondContact O-N 3.07Å; T392-I395 PolarHBondContact O-N 3.48Å; I395-I398 PolarHBondContact O-N 2.9Å; I395-K399 WeakPolarHBondContact O-CB 3.49Å; I395-K399 PolarHBondContact O-N 2.91Å; I395-L417 HydrophobicContact CG1-CD2 4.41Å; I395-Y420 HydrophobicContact CD1-CD2 4.49Å; I395-Y420 HydrophobicContact CD1-CG 4.48Å; I395-V428 HydrophobicContact CD1-CG1 3.75Å; I395-L435 HydrophobicContact CG2-CD2 4.48Å
396N92.4Very high90Very high2 Ų220.7 Ų20.71%0.01112%0.116CC..Hα-helixtrans-64-43.9175.8-72.8-12.3000111.4T392 V393 G394 K399 E400 S431 I600 R602T392-N396 WeakPolarHBondContact O-CB 3.35Å; T392-N396 PolarHBondContact O-N 3.48Å; T392-N396 PolarHBondContact O-ND2 2.97Å; V393-N396 PolarHBondContact O-N 3Å; G394-N396 PolarHBondContact O-N 3.22Å; N396-K399 WeakPolarHBondContact O-CB 3.24Å; N396-K399 PolarHBondContact O-N 3.13Å; N396-E400 WeakPolarHBondContact O-CG 3.46Å; N396-E400 PolarHBondContact O-N 3.21Å; N396-S431 VanDerWaalsContact OD1-CB 3.24Å; N396-S431 WeakPolarHBondContact OD1-CB 3.27Å; N396-S431 PolarHBondContact OD1-OG 2.88Å; N396-I600 PolarHBondContact ND2-O 2.84Å; N396-R602 PolarHBondContact ND2-O 3.11Å
397A92.4Very high89.9Confident0 Ų022.2 Ų22.20%012%0.123CC..Hα-helixtrans-62.2-44.9176.700000111.7L354 V393 G394 K399 E400 I401L354-A397 HydrophobicContact CB-CB 4.04Å; L354-A397 HydrophobicContact CD1-CB 4.19Å; L354-A397 HydrophobicContact CD2-CB 3.97Å; L354-A397 HydrophobicContact CG-CB 4.31Å; V393-A397 WeakPolarHBondContact O-CB 3.27Å; V393-A397 PolarHBondContact O-N 3.35Å; G394-A397 PolarHBondContact O-N 3.3Å; A397-K399 VanDerWaalsContact C-N 3.29Å; A397-K399 PolarHBondContact O-N 2.68Å; A397-E400 PolarHBondContact O-N 3.47Å; A397-E400 VanDerWaalsContact O-N 3.15Å; A397-I401 WeakPolarHBondContact O-CG1 3.45Å; A397-I401 PolarHBondContact O-N 2.81Å
398I93.3Very high89.8Confident0 Ų019.3 Ų19.30%010%0.103CC..Hα-helixtrans-58.3-42.8174.1-70.8169.4000110.9L374 V377 A378 V382 G394 I395 E400 I401 T402 M409 L417L374-I398 HydrophobicContact CD2-CB 4.15Å; L374-I398 HydrophobicContact CD2-CG1 3.92Å; L374-I398 HydrophobicContact CD2-CG2 3.95Å; V377-I398 HydrophobicContact CB-CG1 4.3Å; V377-I398 HydrophobicContact CG1-CD1 4.09Å; V377-I398 HydrophobicContact CG1-CG1 3.88Å; A378-I398 HydrophobicContact CB-CD1 4.23Å; V382-I398 HydrophobicContact CG2-CD1 4.37Å; G394-I398 VanDerWaalsContact O-CG1 3.32Å; G394-I398 WeakPolarHBondContact O-CG1 3.35Å; G394-I398 PolarHBondContact O-N 3.08Å; I395-I398 PolarHBondContact O-N 2.9Å; I398-E400 PolarHBondContact O-N 3.4Å; I398-I401 PolarHBondContact O-N 2.84Å; I398-T402 HydrophobicContact CG2-CG2 4.4Å; I398-T402 WeakPolarHBondContact O-CB 3.31Å; I398-T402 WeakPolarHBondContact O-CG2 3.44Å; I398-T402 PolarHBondContact O-N 3.4Å; I398-T402 PolarHBondContact O-OG1 3Å; I398-M409 HydrophobicContact CG2-CE 3.33Å; I398-L417 HydrophobicContact CD1-CD1 3.98Å; I398-L417 HydrophobicContact CG2-CD1 3.91Å
399K91Very high89.7Confident29 Ų2919 Ų1913%0.12610%0.097CC..Hα-helixtrans-60.2-42.8175.9-172.6-149.676.4-177.70111.8I395 N396 A397 T402 A403 L435 L438I395-K399 WeakPolarHBondContact O-CB 3.49Å; I395-K399 PolarHBondContact O-N 2.91Å; N396-K399 WeakPolarHBondContact O-CB 3.24Å; N396-K399 PolarHBondContact O-N 3.13Å; A397-K399 VanDerWaalsContact C-N 3.29Å; A397-K399 PolarHBondContact O-N 2.68Å; K399-T402 PolarHBondContact O-OG1 3.44Å; K399-A403 VanDerWaalsContact O-CB 3.27Å; K399-A403 WeakPolarHBondContact O-CB 3.32Å; K399-A403 PolarHBondContact O-N 3.49Å; K399-L435 HydrophobicContact CB-CD1 3.92Å; K399-L435 HydrophobicContact CG-CD1 4.13Å; K399-L438 HydrophobicContact CG-CD2 3.94Å; K399-L438 WeakPolarHBondContact O-CD2 3.22Å
400E89.3Confident89.8Confident13 Ų1316 Ų166%0.0619%0.086CC..Hα-helixtrans-72.3-36.7179.4-67-54.6146.400113.3A358 N396 A397 I398 R404 L595 D599A358-E400 HydrophobicContact CB-CB 3.98Å; N396-E400 WeakPolarHBondContact O-CG 3.46Å; N396-E400 PolarHBondContact O-N 3.21Å; A397-E400 PolarHBondContact O-N 3.47Å; A397-E400 VanDerWaalsContact O-N 3.15Å; I398-E400 PolarHBondContact O-N 3.4Å; E400-R404 PolarHBondContact O-NH1 3.4Å; E400-L595 HydrophobicContact CB-CD1 4.22Å; E400-D599 HydrophobicContact CG-CB 4.45Å
401I90.7Very high89.6Confident0 Ų019.3 Ų19.30%010%0.099CC..Hα-helixtrans-63.8-49.7173.6-68.2163.7000109.7A358 I370 L373 L374 A397 I398 A403 R404 C405A358-I401 HydrophobicContact CB-CG1 3.81Å; I370-I401 HydrophobicContact CG2-CG2 3.51Å; L373-I401 HydrophobicContact CD2-CD1 4.49Å; L374-I401 HydrophobicContact CD1-CG2 4.44Å; L374-I401 HydrophobicContact CD2-CB 3.97Å; L374-I401 HydrophobicContact CD2-CD1 4.08Å; L374-I401 HydrophobicContact CD2-CG2 3.73Å; L374-I401 HydrophobicContact CG-CG2 4.08Å; A397-I401 WeakPolarHBondContact O-CG1 3.45Å; A397-I401 PolarHBondContact O-N 2.81Å; I398-I401 PolarHBondContact O-N 2.84Å; I401-A403 VanDerWaalsContact C-N 3.29Å; I401-A403 PolarHBondContact O-N 2.97Å; I401-R404 PolarHBondContact O-N 3.26Å; I401-R404 VanDerWaalsContact O-N 3.1Å; I401-C405 PolarHBondContact O-N 3.46Å
402T89.6Confident89.6Confident0 Ų027 Ų270%014%0.135CC..Hα-helixtrans-71.1-21.3-179.152.60000114.2L374 I398 K399 R404 C405 P406 M409 F439L374-T402 HydrophobicContact CD1-CG2 3.87Å; L374-T402 HydrophobicContact CD2-CG2 4.31Å; I398-T402 HydrophobicContact CG2-CG2 4.4Å; I398-T402 WeakPolarHBondContact O-CB 3.31Å; I398-T402 WeakPolarHBondContact O-CG2 3.44Å; I398-T402 PolarHBondContact O-N 3.4Å; I398-T402 PolarHBondContact O-OG1 3Å; K399-T402 PolarHBondContact O-OG1 3.44Å; T402-R404 PolarHBondContact O-N 2.73Å; T402-C405 CarbonylContact O-C 3.54Å; T402-P406 VanDerWaalsContact O-CA 3.3Å; T402-P406 WeakPolarHBondContact O-CA 3.38Å; T402-M409 HydrophobicContact CG2-CB 3.91Å; T402-M409 HydrophobicContact CG2-CE 3.55Å; T402-F439 HydrophobicContact CG2-CZ 4.32Å
403A87.8Confident89.6Confident16 Ų1627.8 Ų27.813%0.13214%0.139CC..Hα-helixtrans-66.1-23.3170.900000112.9K399 I401 L438K399-A403 VanDerWaalsContact O-CB 3.27Å; K399-A403 WeakPolarHBondContact O-CB 3.32Å; K399-A403 PolarHBondContact O-N 3.49Å; I401-A403 VanDerWaalsContact C-N 3.29Å; I401-A403 PolarHBondContact O-N 2.97Å; A403-L438 HydrophobicContact CB-CD1 4.22Å; A403-L438 HydrophobicContact CB-CD2 3.9Å
404R85.3Confident89.5Confident61 Ų6127.1 Ų27.123%0.2314%0.135CC..Hα-helixtrans-99.8-39.3175.6-66.2-174.7178.458.211.4113A358 S361 E400 I401 T402 P406 L595A358-R404 WeakPolarHBondContact O-CD 3.28Å; S361-R404 VanDerWaalsContact O-CB 3.28Å; S361-R404 WeakPolarHBondContact O-CB 3.44Å; S361-R404 WeakPolarHBondContact O-CD 3.48Å; E400-R404 PolarHBondContact O-NH1 3.4Å; I401-R404 PolarHBondContact O-N 3.26Å; I401-R404 VanDerWaalsContact O-N 3.1Å; T402-R404 PolarHBondContact O-N 2.73Å; R404-P406 WeakPolarHBondContact O-CD 3.39Å; R404-L595 VanDerWaalsContact NH1-CD1 3.34Å
405C86.6Confident89.4Confident8 Ų829.8 Ų29.85%0.05415%0.148CC..  trans-121.381.4177.6-54.60000110H362 I370 I401 T402 L407 A408H362-C405 PolarHBondContact N-SG 3.34Å; H362-C405 PolarHBondContact O-SG 3.33Å; I370-C405 HydrophobicContact CG2-CB 4.36Å; I401-C405 PolarHBondContact O-N 3.46Å; T402-C405 CarbonylContact O-C 3.54Å; C405-L407 VanDerWaalsContact C-N 3.27Å; C405-L407 PolarHBondContact O-N 3.21Å; C405-A408 HydrophobicContact CB-CB 4.28Å; C405-A408 PolarHBondContact O-N 2.99Å
406P85.1Confident89.3Confident27 Ų2733.2 Ų33.218%0.17517%0.166CC..G310 helixtrans-65.1-31.9-176.9-21.133.3000113T402 R404 A408 M409 L442 V464T402-P406 VanDerWaalsContact O-CA 3.3Å; T402-P406 WeakPolarHBondContact O-CA 3.38Å; R404-P406 WeakPolarHBondContact O-CD 3.39Å; P406-A408 PolarHBondContact O-N 3.48Å; P406-M409 PolarHBondContact O-N 2.99Å; P406-L442 HydrophobicContact CB-CD1 4.08Å; P406-L442 HydrophobicContact CG-CD1 3.94Å; P406-L442 HydrophobicContact CG-CD2 4.45Å; P406-V464 HydrophobicContact CB-CG1 3.86Å; P406-V464 HydrophobicContact CB-CG2 3.77Å; P406-V464 HydrophobicContact CG-CG1 4.42Å; P406-V464 HydrophobicContact CG-CG2 4.43Å
407L85.8Confident89.3Confident73 Ų7333.2 Ų33.238%0.38217%0.166SC..G310 helixtrans-65.7-21.3-178.7-67.9170.8000114.1P367 C405 M409 V464 Q465P367-L407 HydrophobicContact CB-CB 4.14Å; C405-L407 VanDerWaalsContact C-N 3.27Å; C405-L407 PolarHBondContact O-N 3.21Å; L407-M409 VanDerWaalsContact C-N 3.25Å; L407-M409 PolarHBondContact O-N 3.35Å; L407-V464 HydrophobicContact CD2-CG1 3.59Å; L407-V464 HydrophobicContact CG-CG1 3.78Å; L407-Q465 WeakPolarHBondContact CD1-O 3.38Å
408A87.4Confident89.2Confident1 Ų133.2 Ų33.21%0.00817%0.166CC..G310 helixtrans-75.3-14.8-177.100000113.5P367 I370 L374 C405 P406P367-A408 HydrophobicContact CB-CB 4.5Å; I370-A408 HydrophobicContact CB-CB 3.66Å; I370-A408 HydrophobicContact CG2-CB 3.45Å; I370-A408 VanDerWaalsContact CG2-CB 3.45Å; L374-A408 HydrophobicContact CD1-CB 3.81Å; L374-A408 WeakPolarHBondContact CD1-O 3.39Å; C405-A408 HydrophobicContact CB-CB 4.28Å; C405-A408 PolarHBondContact O-N 2.99Å; P406-A408 PolarHBondContact O-N 3.48Å
409M87.1Confident89Confident11 Ų1138.9 Ų38.95%0.05419%0.193CC..  trans-81.2132.5177.7-176.866.879.100110.1I398 T402 P406 L407 L413 L414 L417 L435 F439 M446I398-M409 HydrophobicContact CG2-CE 3.33Å; T402-M409 HydrophobicContact CG2-CB 3.91Å; T402-M409 HydrophobicContact CG2-CE 3.55Å; P406-M409 PolarHBondContact O-N 2.99Å; L407-M409 VanDerWaalsContact C-N 3.25Å; L407-M409 PolarHBondContact O-N 3.35Å; M409-L413 HydrophobicContact SD-CB 4.03Å; M409-L413 HydrophobicContact SD-CD2 3.79Å; M409-L413 HydrophobicContact SD-CG 3.81Å; M409-L414 HydrophobicContact CE-CD1 4.45Å; M409-L414 HydrophobicContact CG-CB 3.83Å; M409-L414 HydrophobicContact CG-CD1 4.41Å; M409-L414 HydrophobicContact SD-CB 4.11Å; M409-L417 HydrophobicContact CE-CD1 4.1Å; M409-L435 HydrophobicContact CE-CD1 4.44Å; M409-F439 HydrophobicContact CB-CE1 4.23Å; M409-F439 HydrophobicContact CB-CZ 3.7Å; M409-F439 HydrophobicContact CE-CE2 4.27Å; M409-F439 HydrophobicContact CE-CZ 4.38Å; M409-F439 HydrophobicContact CG-CE1 4.25Å; M409-F439 HydrophobicContact CG-CE2 4.4Å; M409-F439 HydrophobicContact CG-CZ 3.71Å; M409-M446 HydrophobicContact CB-CE 3.94Å; M409-M446 HydrophobicContact CG-CE 3.58Å; M409-M446 WeakPolarHBondContact O-CE 3.28Å
410T90.2Very high89.1Confident41 Ų4139 Ų3925%0.25219%0.192SC..  trans-88.6152.2170.760.60000111.4Q371 E412 L413 L414 M446Q371-T410 HydrophobicContact CG-CG2 4.13Å; T410-E412 VanDerWaalsContact C-N 3.28Å; T410-E412 PolarHBondContact O-N 2.65Å; T410-L413 PolarHBondContact O-N 3.26Å; T410-L413 VanDerWaalsContact OG1-CB 3.25Å; T410-L413 WeakPolarHBondContact OG1-CB 3.44Å; T410-L413 PolarHBondContact OG1-N 3.49Å; T410-L414 WeakPolarHBondContact O-CB 3.47Å; T410-L414 PolarHBondContact O-N 3.27Å; T410-M446 WeakPolarHBondContact O-CE 3.35Å
411E87.8Confident89Confident104 Ų10441.3 Ų41.349%0.48620%0.202SC..Hα-helixtrans-59.4-42.8178.4-174.6175.8176.500111L413 L414 Q415 M446E411-L413 PolarHBondContact O-N 3.1Å; E411-L414 PolarHBondContact O-N 3.3Å; E411-Q415 HydrophobicContact CG-CG 4.24Å; E411-Q415 WeakPolarHBondContact O-CB 3.49Å; E411-Q415 WeakPolarHBondContact O-CG 3.27Å; E411-Q415 PolarHBondContact O-N 3.04Å; E411-Q415 PolarHBondContact OE1-NE2 2.97Å; E411-M446 HydrophobicContact CB-CE 4.46Å; E411-M446 HydrophobicContact CB-CG 4.38Å; E411-M446 HydrophobicContact CG-CG 4.41Å; E411-M446 VanDerWaalsContact N-CE 3.34Å
412E90.1Very high89Confident166 Ų16647.2 Ų47.278%0.77624%0.239SC*.Hα-helixtrans-58.9-49.3178.8-61.6-178.9174.900112.2T410 L414 Q415 D416T410-E412 VanDerWaalsContact C-N 3.28Å; T410-E412 PolarHBondContact O-N 2.65Å; E412-L414 PolarHBondContact O-N 3.35Å; E412-Q415 PolarHBondContact O-N 2.96Å; E412-D416 PolarHBondContact O-N 2.84Å
413L91.1Very high89Confident17 Ų1749.3 Ų49.39%0.08925%0.248CC..Hα-helixtrans-65.3-41.7179.7-17961000111.2L374 A378 M409 T410 E411 Q415 D416 L417L374-L413 HydrophobicContact CB-CD2 4.44Å; A378-L413 HydrophobicContact CB-CD1 3.68Å; A378-L413 HydrophobicContact CB-CD2 4.46Å; M409-L413 HydrophobicContact SD-CB 4.03Å; M409-L413 HydrophobicContact SD-CD2 3.79Å; M409-L413 HydrophobicContact SD-CG 3.81Å; T410-L413 PolarHBondContact O-N 3.26Å; T410-L413 VanDerWaalsContact OG1-CB 3.25Å; T410-L413 WeakPolarHBondContact OG1-CB 3.44Å; T410-L413 PolarHBondContact OG1-N 3.49Å; E411-L413 PolarHBondContact O-N 3.1Å; L413-Q415 VanDerWaalsContact C-N 3.32Å; L413-Q415 PolarHBondContact O-N 3.35Å; L413-D416 PolarHBondContact O-N 2.99Å; L413-L417 HydrophobicContact CD1-CD1 4.14Å; L413-L417 HydrophobicContact CD1-CG 4.12Å; L413-L417 HydrophobicContact CG-CD1 4Å; L413-L417 HydrophobicContact CG-CG 4.38Å; L413-L417 WeakPolarHBondContact O-CB 3.35Å; L413-L417 VanDerWaalsContact O-CG 3.26Å; L413-L417 WeakPolarHBondContact O-CG 3.39Å; L413-L417 PolarHBondContact O-N 2.86Å
414L90.6Very high89Confident1 Ų158.3 Ų58.31%0.00529%0.285CS..Hα-helixtrans-63.4-41.1177.4-176.363.7000111.7M409 T410 E411 E412 A418 L435 F439 M446 L447M409-L414 HydrophobicContact CE-CD1 4.45Å; M409-L414 HydrophobicContact CG-CB 3.83Å; M409-L414 HydrophobicContact CG-CD1 4.41Å; M409-L414 HydrophobicContact SD-CB 4.11Å; T410-L414 WeakPolarHBondContact O-CB 3.47Å; T410-L414 PolarHBondContact O-N 3.27Å; E411-L414 PolarHBondContact O-N 3.3Å; E412-L414 PolarHBondContact O-N 3.35Å; L414-A418 VanDerWaalsContact O-CB 3.24Å; L414-A418 WeakPolarHBondContact O-CB 3.49Å; L414-A418 PolarHBondContact O-N 3.33Å; L414-L435 HydrophobicContact CD1-CD2 4.17Å; L414-L435 HydrophobicContact CD1-CG 4.2Å; L414-F439 HydrophobicContact CD1-CD1 4.45Å; L414-F439 HydrophobicContact CD1-CD2 3.58Å; L414-F439 HydrophobicContact CD1-CE2 3.78Å; L414-F439 HydrophobicContact CD1-CG 3.96Å; L414-F439 HydrophobicContact CD1-CZ 4.29Å; L414-F439 HydrophobicContact CD2-CB 4.2Å; L414-F439 HydrophobicContact CD2-CD1 3.62Å; L414-F439 HydrophobicContact CD2-CD2 4.22Å; L414-F439 HydrophobicContact CD2-CE1 4.02Å; L414-F439 HydrophobicContact CD2-CG 3.73Å; L414-F439 HydrophobicContact CD2-CZ 4.48Å; L414-M446 HydrophobicContact CB-CE 4.05Å; L414-M446 HydrophobicContact CD2-CB 4.1Å; L414-M446 HydrophobicContact CD2-CE 4.02Å; L414-M446 HydrophobicContact CD2-CG 3.7Å; L414-M446 HydrophobicContact CD2-SD 3.65Å; L414-L447 HydrophobicContact CD1-CD2 4.41Å; L414-L447 HydrophobicContact CD2-CD2 3.78Å; L414-L447 HydrophobicContact CD2-CG 4.28Å; L414-L447 HydrophobicContact CG-CD2 4.06Å
415Q90.4Very high89.1Confident55 Ų5558.9 Ų58.926%0.25729%0.292SS..Hα-helixtrans-64-42.3178.1-74-171.124.900111.4E411 E412 L413 A418 Q419 Q448E411-Q415 HydrophobicContact CG-CG 4.24Å; E411-Q415 WeakPolarHBondContact O-CB 3.49Å; E411-Q415 WeakPolarHBondContact O-CG 3.27Å; E411-Q415 PolarHBondContact O-N 3.04Å; E411-Q415 PolarHBondContact OE1-NE2 2.97Å; E412-Q415 PolarHBondContact O-N 2.96Å; L413-Q415 VanDerWaalsContact C-N 3.32Å; L413-Q415 PolarHBondContact O-N 3.35Å; Q415-A418 PolarHBondContact O-N 2.94Å; Q415-Q419 VanDerWaalsContact O-CG 3.31Å; Q415-Q419 WeakPolarHBondContact O-CG 3.49Å; Q415-Q419 PolarHBondContact O-N 2.97Å; Q415-Q448 HydrophobicContact CG-CG 4Å
416D91.7Very high89.1Confident73 Ų7362.1 Ų62.139%0.3931%0.305SS..Hα-helixtrans-62.7-51.6175.4-173.244.5000111.6E412 L413 A418 Q419E412-D416 PolarHBondContact O-N 2.84Å; L413-D416 PolarHBondContact O-N 2.99Å; D416-A418 PolarHBondContact O-N 3.47Å; D416-Q419 VanDerWaalsContact O-CB 3.31Å; D416-Q419 WeakPolarHBondContact O-CB 3.5Å; D416-Q419 WeakPolarHBondContact O-CG 3.3Å; D416-Q419 PolarHBondContact O-N 3.31Å
417L91.3Very high89.3Confident1 Ų161.7 Ų61.71%0.00530%0.302CS..Hα-helixtrans-60.9-31.5178.3-66.6177.3000113V382 I395 I398 M409 L413 Q419 Y420 L435V382-L417 HydrophobicContact CB-CD2 4.35Å; V382-L417 HydrophobicContact CG1-CD2 3.86Å; V382-L417 HydrophobicContact CG2-CD2 4.27Å; I395-L417 HydrophobicContact CG1-CD2 4.41Å; I398-L417 HydrophobicContact CD1-CD1 3.98Å; I398-L417 HydrophobicContact CG2-CD1 3.91Å; M409-L417 HydrophobicContact CE-CD1 4.1Å; L413-L417 HydrophobicContact CD1-CD1 4.14Å; L413-L417 HydrophobicContact CD1-CG 4.12Å; L413-L417 HydrophobicContact CG-CD1 4Å; L413-L417 HydrophobicContact CG-CG 4.38Å; L413-L417 WeakPolarHBondContact O-CB 3.35Å; L413-L417 VanDerWaalsContact O-CG 3.26Å; L413-L417 WeakPolarHBondContact O-CG 3.39Å; L413-L417 PolarHBondContact O-N 2.86Å; L417-Q419 VanDerWaalsContact C-N 3.27Å; L417-Q419 PolarHBondContact O-N 3.28Å; L417-Y420 PolarHBondContact O-N 3.5Å; L417-L435 HydrophobicContact CB-CD2 3.85Å; L417-L435 HydrophobicContact CD1-CD2 3.9Å
418A90.5Very high89.5Confident1 Ų158.2 Ų58.21%0.00828%0.283CS..Hα-helixtrans-68.2-23.5176.700000113.2L414 Q415 D416 Y420 K421 I436 F451L414-A418 VanDerWaalsContact O-CB 3.24Å; L414-A418 WeakPolarHBondContact O-CB 3.49Å; L414-A418 PolarHBondContact O-N 3.33Å; Q415-A418 PolarHBondContact O-N 2.94Å; D416-A418 PolarHBondContact O-N 3.47Å; A418-Y420 PolarHBondContact O-N 3.5Å; A418-K421 VanDerWaalsContact O-CB 3.26Å; A418-K421 WeakPolarHBondContact O-CB 3.49Å; A418-K421 PolarHBondContact O-N 3.23Å; A418-I436 HydrophobicContact CB-CD1 4.07Å; A418-I436 HydrophobicContact CB-CG1 4.07Å; A418-F451 HydrophobicContact CB-CD2 4.01Å; A418-F451 HydrophobicContact CB-CE2 3.91Å; A418-F451 HydrophobicContact CB-CZ 4.39Å
419Q90.8Very high89.6Confident118 Ų11860 Ų6055%0.55129%0.292SS*.Hα-helixtrans-65.6-28.7178.2-54.3-171.221.900111.9Q415 D416 L417 K421 T422Q415-Q419 VanDerWaalsContact O-CG 3.31Å; Q415-Q419 WeakPolarHBondContact O-CG 3.49Å; Q415-Q419 PolarHBondContact O-N 2.97Å; D416-Q419 VanDerWaalsContact O-CB 3.31Å; D416-Q419 WeakPolarHBondContact O-CB 3.5Å; D416-Q419 WeakPolarHBondContact O-CG 3.3Å; D416-Q419 PolarHBondContact O-N 3.31Å; L417-Q419 VanDerWaalsContact C-N 3.27Å; L417-Q419 PolarHBondContact O-N 3.28Å; Q419-K421 PolarHBondContact O-N 2.97Å; Q419-T422 PolarHBondContact O-N 3.2Å; Q419-T422 PolarHBondContact O-OG1 3.08Å
420Y91.2Very high89.6Confident31 Ų3159.7 Ų59.712%0.12229%0.29CS..G310 helixtrans-63.8-5.4176.3-70.3-73.4000114.3V382 M391 I395 L417 A418 T422 H423 V428 M429V382-Y420 HydrophobicContact CG1-CD2 4.24Å; V382-Y420 HydrophobicContact CG1-CE2 3.54Å; M391-Y420 HydrophobicContact CE-CD1 4.03Å; M391-Y420 HydrophobicContact CE-CE1 3.37Å; I395-Y420 HydrophobicContact CD1-CD2 4.49Å; I395-Y420 HydrophobicContact CD1-CG 4.48Å; L417-Y420 PolarHBondContact O-N 3.5Å; A418-Y420 PolarHBondContact O-N 3.5Å; Y420-T422 PolarHBondContact O-N 2.96Å; Y420-T422 VanDerWaalsContact O-N 3.09Å; Y420-H423 HydrophobicContact CD1-CB 4.19Å; Y420-H423 AromaticContact CD1-CD2 3.88Å; Y420-H423 WeakPolarHBondContact O-CB 3.35Å; Y420-H423 PolarHBondContact O-N 3.34Å; Y420-V428 HydrophobicContact CD1-CG1 3.9Å; Y420-V428 HydrophobicContact CG-CG1 4.15Å; Y420-M429 WeakPolarHBondContact O-CA 3.31Å
421K89.1Confident89.5Confident62 Ų6257.7 Ų57.727%0.2728%0.278SS..G310 helixtrans-56.1-23.2171.2-174.8-169176.8-172.90114A418 Q419 M429 R433 I436 F451A418-K421 VanDerWaalsContact O-CB 3.26Å; A418-K421 WeakPolarHBondContact O-CB 3.49Å; A418-K421 PolarHBondContact O-N 3.23Å; Q419-K421 PolarHBondContact O-N 2.97Å; K421-M429 WeakPolarHBondContact O-CG 3.49Å; K421-R433 HydrophobicContact CG-CG 3.95Å; K421-I436 HydrophobicContact CB-CD1 4.06Å; K421-I436 HydrophobicContact CD-CD1 4.01Å; K421-I436 HydrophobicContact CG-CD1 4.25Å; K421-F451 HydrophobicContact CD-CD1 3.87Å; K421-F451 HydrophobicContact CD-CE1 3.64Å
422T89.4Confident89.7Confident125 Ų12552.8 Ų52.877%0.76726%0.255SS*.G310 helixtrans-11113.4176.944.10000113.5Q419 Y420Q419-T422 PolarHBondContact O-N 3.2Å; Q419-T422 PolarHBondContact O-OG1 3.08Å; Y420-T422 PolarHBondContact O-N 2.96Å; Y420-T422 VanDerWaalsContact O-N 3.09Å
423H89.8Confident89.6Confident44 Ų4447.1 Ų47.120%0.20423%0.227CC..  trans-60.6151.5-179.5-169-103.4000112.7Y420 D425 V428 M429Y420-H423 HydrophobicContact CD1-CB 4.19Å; Y420-H423 AromaticContact CD1-CD2 3.88Å; Y420-H423 WeakPolarHBondContact O-CB 3.35Å; Y420-H423 PolarHBondContact O-N 3.34Å; H423-D425 VanDerWaalsContact C-N 3.32Å; H423-D425 IonicContact CE1-OD2 2.87Å; H423-D425 PolarHBondContact ND1-N 3.27Å; H423-D425 VanDerWaalsContact ND1-N 3.13Å; H423-D425 PolarHBondContact O-N 3.4Å; H423-V428 HydrophobicContact CB-CB 4.47Å; H423-V428 HydrophobicContact CB-CG1 4.25Å; H423-M429 WeakPolarHBondContact O-CE 3.32Å
424K87.7Confident89.5Confident205 Ų20547.2 Ų47.289%0.89123%0.228SC*.SBendtrans-61.7-40.3-178.6-67.1178.6-177173.40111.8
425D87.3Confident89.4Confident73 Ų7347.2 Ų47.239%0.3923%0.228SC..SBendtrans-78.4124.4178.4-72.7-43000112.5H423 N427 V428 M429H423-D425 VanDerWaalsContact C-N 3.32Å; H423-D425 IonicContact CE1-OD2 2.87Å; H423-D425 PolarHBondContact ND1-N 3.27Å; H423-D425 VanDerWaalsContact ND1-N 3.13Å; H423-D425 PolarHBondContact O-N 3.4Å; D425-N427 VanDerWaalsContact C-N 3.26Å; D425-N427 PolarHBondContact O-N 3.38Å; D425-V428 HydrophobicContact CB-CB 4.39Å; D425-V428 HydrophobicContact CB-CG2 4.02Å; D425-V428 PolarHBondContact O-N 3.35Å; D425-M429 VanDerWaalsContact O-CB 3.26Å; D425-M429 WeakPolarHBondContact O-CB 3.43Å; D425-M429 PolarHBondContact O-N 3.26Å
426K87.9Confident89.3Confident75 Ų7544.8 Ų44.833%0.32622%0.217SC..Hα-helixtrans-61.3-32.5179.7-175.2177.3170.3-177.90112.7M430 I582 K605K426-M430 HydrophobicContact CG-CG 4.19Å; K426-M430 WeakPolarHBondContact O-CB 3.42Å; K426-M430 WeakPolarHBondContact O-CG 3.48Å; K426-M430 PolarHBondContact O-N 2.76Å; K426-I582 HydrophobicContact CD-CD1 4.37Å; K426-I582 VanDerWaalsContact CE-CD1 3.42Å; K426-K605 HydrophobicContact CB-CB 4.48Å; K426-K605 HydrophobicContact CB-CD 4.26Å; K426-K605 HydrophobicContact CD-CB 4.34Å
427N88.5Confident89.1Confident19 Ų1945 Ų4510%0.10222%0.216CC..Hα-helixtrans-66.2-57.2-179.7-70.2-21.2000110.6T392 D425 M429 M430 S431 H604 K605T392-N427 HydrophobicContact CG2-CB 3.91Å; T392-N427 WeakPolarHBondContact OG1-CB 3.4Å; D425-N427 VanDerWaalsContact C-N 3.26Å; D425-N427 PolarHBondContact O-N 3.38Å; N427-M429 VanDerWaalsContact C-N 3.28Å; N427-M429 PolarHBondContact O-N 2.96Å; N427-M430 PolarHBondContact O-N 3.41Å; N427-S431 PolarHBondContact O-N 3.23Å; N427-S431 PolarHBondContact O-OG 3.1Å; N427-H604 PolarHBondContact OD1-N 3.13Å; N427-H604 VanDerWaalsContact OD1-N 3.17Å; N427-K605 WeakPolarHBondContact OD1-CA 3.35Å; N427-K605 WeakPolarHBondContact OD1-CB 3.45Å; N427-K605 PolarHBondContact OD1-N 3.37Å
428V90.5Very high88.8Confident0 Ų045.9 Ų45.90%022%0.22CC..Hα-helixtrans-53.8-45.5174.5-173.30000111.2G388 M391 T392 I395 Y420 H423 D425 M430 S431 A432G388-V428 VanDerWaalsContact O-CG2 3.23Å; G388-V428 WeakPolarHBondContact O-CG2 3.28Å; M391-V428 HydrophobicContact CB-CG1 4.47Å; M391-V428 HydrophobicContact CB-CG2 3.88Å; M391-V428 HydrophobicContact CE-CG1 4.37Å; T392-V428 PolarHBondContact OG1-N 2.82Å; I395-V428 HydrophobicContact CD1-CG1 3.75Å; Y420-V428 HydrophobicContact CD1-CG1 3.9Å; Y420-V428 HydrophobicContact CG-CG1 4.15Å; H423-V428 HydrophobicContact CB-CB 4.47Å; H423-V428 HydrophobicContact CB-CG1 4.25Å; D425-V428 HydrophobicContact CB-CB 4.39Å; D425-V428 HydrophobicContact CB-CG2 4.02Å; D425-V428 PolarHBondContact O-N 3.35Å; V428-M430 VanDerWaalsContact C-N 3.31Å; V428-M430 PolarHBondContact O-N 2.87Å; V428-S431 PolarHBondContact O-N 3.48Å; V428-A432 WeakPolarHBondContact O-CB 3.42Å; V428-A432 PolarHBondContact O-N 3.04Å
429M89.3Confident88.6Confident39 Ų3945.9 Ų45.919%0.19222%0.22CC..Hα-helixtrans-57.4-42.1176.8-174.1-168-69.500112.9Y420 K421 H423 D425 N427 R433Y420-M429 WeakPolarHBondContact O-CA 3.31Å; K421-M429 WeakPolarHBondContact O-CG 3.49Å; H423-M429 WeakPolarHBondContact O-CE 3.32Å; D425-M429 VanDerWaalsContact O-CB 3.26Å; D425-M429 WeakPolarHBondContact O-CB 3.43Å; D425-M429 PolarHBondContact O-N 3.26Å; N427-M429 VanDerWaalsContact C-N 3.28Å; N427-M429 PolarHBondContact O-N 2.96Å; M429-R433 WeakPolarHBondContact O-CD 3.43Å; M429-R433 VanDerWaalsContact O-CG 3.24Å; M429-R433 WeakPolarHBondContact O-CG 3.41Å; M429-R433 PolarHBondContact O-N 3.05Å; M429-R433 VanDerWaalsContact SD-CZ 3.57Å; M429-R433 PolarHBondContact SD-NH2 3.32Å
430M86.1Confident88.3Confident3 Ų342.4 Ų42.42%0.01520%0.202CC..Hα-helixtrans-75.3-40.9-178.7-70.3-65.4-63.200111.1K426 N427 V428 A432 R433 T434 I584 H604K426-M430 HydrophobicContact CG-CG 4.19Å; K426-M430 WeakPolarHBondContact O-CB 3.42Å; K426-M430 WeakPolarHBondContact O-CG 3.48Å; K426-M430 PolarHBondContact O-N 2.76Å; N427-M430 PolarHBondContact O-N 3.41Å; V428-M430 VanDerWaalsContact C-N 3.31Å; V428-M430 PolarHBondContact O-N 2.87Å; M430-A432 PolarHBondContact O-N 3.26Å; M430-R433 WeakPolarHBondContact O-CB 3.48Å; M430-R433 PolarHBondContact O-N 3.5Å; M430-R433 VanDerWaalsContact O-N 3.11Å; M430-T434 WeakPolarHBondContact O-CG2 3.38Å; M430-T434 PolarHBondContact O-N 2.89Å; M430-I584 HydrophobicContact CE-CD1 4.28Å; M430-I584 HydrophobicContact CE-CG1 3.59Å; M430-H604 HydrophobicContact CB-CB 3.82Å; M430-H604 WeakPolarHBondContact CB-CD2 3.33Å; M430-H604 VanDerWaalsContact CB-CG 3.49Å; M430-H604 HydrophobicContact CG-CB 3.96Å
431S88.4Confident87.8Confident0 Ų044.9 Ų44.90%022%0.22CC..Hα-helixtrans-58.7-47.6174-65.30000111.8T392 N396 N427 V428 R433 T434 L435T392-S431 WeakPolarHBondContact CG2-OG 3.5Å; N396-S431 VanDerWaalsContact OD1-CB 3.24Å; N396-S431 WeakPolarHBondContact OD1-CB 3.27Å; N396-S431 PolarHBondContact OD1-OG 2.88Å; N427-S431 PolarHBondContact O-N 3.23Å; N427-S431 PolarHBondContact O-OG 3.1Å; V428-S431 PolarHBondContact O-N 3.48Å; S431-R433 VanDerWaalsContact C-N 3.27Å; S431-R433 PolarHBondContact O-N 3.17Å; S431-T434 PolarHBondContact O-N 3.34Å; S431-T434 PolarHBondContact O-OG1 3.16Å; S431-L435 PolarHBondContact O-N 3.42Å
432A91.3Very high87.4Confident0 Ų044 Ų440%022%0.218CC..Hα-helixtrans-59.4-3717500000112.4V428 M430 L435 I436V428-A432 WeakPolarHBondContact O-CB 3.42Å; V428-A432 PolarHBondContact O-N 3.04Å; M430-A432 PolarHBondContact O-N 3.26Å; A432-L435 PolarHBondContact O-N 3.31Å; A432-I436 VanDerWaalsContact O-CG1 3.26Å; A432-I436 WeakPolarHBondContact O-CG1 3.39Å; A432-I436 PolarHBondContact O-N 3.1Å
433R89.4Confident87Confident47 Ų4740.1 Ų40.118%0.17719%0.193CC..Hα-helixtrans-66.7-36.4174.4-74169.5-175.5-175.11112.8K421 M429 M430 S431 Q437K421-R433 HydrophobicContact CG-CG 3.95Å; M429-R433 WeakPolarHBondContact O-CD 3.43Å; M429-R433 VanDerWaalsContact O-CG 3.24Å; M429-R433 WeakPolarHBondContact O-CG 3.41Å; M429-R433 PolarHBondContact O-N 3.05Å; M429-R433 VanDerWaalsContact SD-CZ 3.57Å; M429-R433 PolarHBondContact SD-NH2 3.32Å; M430-R433 WeakPolarHBondContact O-CB 3.48Å; M430-R433 PolarHBondContact O-N 3.5Å; M430-R433 VanDerWaalsContact O-N 3.11Å; S431-R433 VanDerWaalsContact C-N 3.27Å; S431-R433 PolarHBondContact O-N 3.17Å; R433-Q437 WeakPolarHBondContact O-CB 3.41Å; R433-Q437 PolarHBondContact O-N 3.4Å
434T88.1Confident86.7Confident20 Ų2038.7 Ų38.712%0.12319%0.187CC..Hα-helixtrans-68.5-39.1176.260.50000111.6M430 S431 Q437 L438M430-T434 WeakPolarHBondContact O-CG2 3.38Å; M430-T434 PolarHBondContact O-N 2.89Å; S431-T434 PolarHBondContact O-N 3.34Å; S431-T434 PolarHBondContact O-OG1 3.16Å; T434-Q437 WeakPolarHBondContact O-CB 3.34Å; T434-Q437 PolarHBondContact O-N 2.83Å; T434-L438 PolarHBondContact O-N 3.03Å
435L89Confident86.5Confident1 Ų136.1 Ų36.11%0.00518%0.179CC..Hα-helixtrans-61.7-47.8172.9-175.267.6000111.7I395 K399 M409 L414 L417 S431 A432 Q437 L438 F439I395-L435 HydrophobicContact CG2-CD2 4.48Å; K399-L435 HydrophobicContact CB-CD1 3.92Å; K399-L435 HydrophobicContact CG-CD1 4.13Å; M409-L435 HydrophobicContact CE-CD1 4.44Å; L414-L435 HydrophobicContact CD1-CD2 4.17Å; L414-L435 HydrophobicContact CD1-CG 4.2Å; L417-L435 HydrophobicContact CB-CD2 3.85Å; L417-L435 HydrophobicContact CD1-CD2 3.9Å; S431-L435 PolarHBondContact O-N 3.42Å; A432-L435 PolarHBondContact O-N 3.31Å; L435-Q437 PolarHBondContact O-N 3.47Å; L435-L438 WeakPolarHBondContact O-CB 3.46Å; L435-L438 PolarHBondContact O-N 3.47Å; L435-L438 VanDerWaalsContact O-N 3.13Å; L435-F439 HydrophobicContact CD1-CD2 4.06Å; L435-F439 HydrophobicContact CD1-CE2 3.81Å; L435-F439 HydrophobicContact CG-CD2 4.33Å; L435-F439 HydrophobicContact CG-CE2 4.45Å; L435-F439 PolarHBondContact O-N 3.4Å
436I88.9Confident86.3Confident3 Ų333.8 Ų33.82%0.01517%0.166CC..Hα-helixtrans-58.3-40.2174.5-67.7164.7000110.7A418 K421 A432 L438 F439 R440 L447 F451A418-I436 HydrophobicContact CB-CD1 4.07Å; A418-I436 HydrophobicContact CB-CG1 4.07Å; K421-I436 HydrophobicContact CB-CD1 4.06Å; K421-I436 HydrophobicContact CD-CD1 4.01Å; K421-I436 HydrophobicContact CG-CD1 4.25Å; A432-I436 VanDerWaalsContact O-CG1 3.26Å; A432-I436 WeakPolarHBondContact O-CG1 3.39Å; A432-I436 PolarHBondContact O-N 3.1Å; I436-L438 VanDerWaalsContact C-N 3.33Å; I436-F439 PolarHBondContact O-N 3.09Å; I436-R440 WeakPolarHBondContact O-CG 3.47Å; I436-R440 PolarHBondContact O-N 3.43Å; I436-L447 HydrophobicContact CG2-CD1 4.2Å; I436-F451 HydrophobicContact CD1-CD1 4.12Å; I436-F451 HydrophobicContact CD1-CG 4.45Å; I436-F451 HydrophobicContact CG2-CB 4.13Å
437Q86.5Confident86.2Confident79 Ų7930.4 Ų30.437%0.36915%0.151SC..Hα-helixtrans-66.5-35.7179.4-173.258.834.100112.4R433 T434 L435 R440 T441R433-Q437 WeakPolarHBondContact O-CB 3.41Å; R433-Q437 PolarHBondContact O-N 3.4Å; T434-Q437 WeakPolarHBondContact O-CB 3.34Å; T434-Q437 PolarHBondContact O-N 2.83Å; L435-Q437 PolarHBondContact O-N 3.47Å; Q437-R440 PolarHBondContact O-N 3.15Å; Q437-T441 PolarHBondContact O-N 2.95Å
438L85.5Confident86Confident19 Ų1932.4 Ų32.410%0.09916%0.16CC..Hα-helixtrans-63.8-48.2173.8178.467.9000111.3K399 A403 T434 L435 I436 R440 T441 L442K399-L438 HydrophobicContact CG-CD2 3.94Å; K399-L438 WeakPolarHBondContact O-CD2 3.22Å; A403-L438 HydrophobicContact CB-CD1 4.22Å; A403-L438 HydrophobicContact CB-CD2 3.9Å; T434-L438 PolarHBondContact O-N 3.03Å; L435-L438 WeakPolarHBondContact O-CB 3.46Å; L435-L438 PolarHBondContact O-N 3.47Å; L435-L438 VanDerWaalsContact O-N 3.13Å; I436-L438 VanDerWaalsContact C-N 3.33Å; L438-R440 VanDerWaalsContact C-N 3.28Å; L438-R440 PolarHBondContact O-N 2.77Å; L438-T441 PolarHBondContact O-N 3.37Å; L438-T441 PolarHBondContact O-OG1 3.15Å; L438-L442 HydrophobicContact CD1-CD1 3.72Å; L438-L442 HydrophobicContact CD1-CG 4.11Å; L438-L442 HydrophobicContact CD2-CD1 4.17Å; L438-L442 HydrophobicContact CG-CD1 3.65Å; L438-L442 HydrophobicContact CG-CG 4.29Å; L438-L442 WeakPolarHBondContact O-CG 3.34Å; L438-L442 PolarHBondContact O-N 2.71Å
439F86.1Confident85.7Confident1 Ų141 Ų410%0.00420%0.198CC..Hα-helixtrans-70.5-22.1178.7-82-89.8000113.3T402 M409 L414 L435 I436 T441 N443 M446 L447T402-F439 HydrophobicContact CG2-CZ 4.32Å; M409-F439 HydrophobicContact CB-CE1 4.23Å; M409-F439 HydrophobicContact CB-CZ 3.7Å; M409-F439 HydrophobicContact CE-CE2 4.27Å; M409-F439 HydrophobicContact CE-CZ 4.38Å; M409-F439 HydrophobicContact CG-CE1 4.25Å; M409-F439 HydrophobicContact CG-CE2 4.4Å; M409-F439 HydrophobicContact CG-CZ 3.71Å; L414-F439 HydrophobicContact CD1-CD1 4.45Å; L414-F439 HydrophobicContact CD1-CD2 3.58Å; L414-F439 HydrophobicContact CD1-CE2 3.78Å; L414-F439 HydrophobicContact CD1-CG 3.96Å; L414-F439 HydrophobicContact CD1-CZ 4.29Å; L414-F439 HydrophobicContact CD2-CB 4.2Å; L414-F439 HydrophobicContact CD2-CD1 3.62Å; L414-F439 HydrophobicContact CD2-CD2 4.22Å; L414-F439 HydrophobicContact CD2-CE1 4.02Å; L414-F439 HydrophobicContact CD2-CG 3.73Å; L414-F439 HydrophobicContact CD2-CZ 4.48Å; L435-F439 HydrophobicContact CD1-CD2 4.06Å; L435-F439 HydrophobicContact CD1-CE2 3.81Å; L435-F439 HydrophobicContact CG-CD2 4.33Å; L435-F439 HydrophobicContact CG-CE2 4.45Å; L435-F439 PolarHBondContact O-N 3.4Å; I436-F439 PolarHBondContact O-N 3.09Å; F439-T441 PolarHBondContact O-N 3.27Å; F439-N443 CarbonylContact O-C 3.48Å; F439-N443 PolarHBondContact O-N 3.11Å; F439-M446 HydrophobicContact CD1-SD 3.92Å; F439-M446 HydrophobicContact CE1-CE 4.48Å; F439-M446 HydrophobicContact CE1-SD 3.63Å; F439-L447 HydrophobicContact CB-CD1 3.85Å; F439-L447 HydrophobicContact CB-CD2 4.16Å; F439-L447 HydrophobicContact CB-CG 3.95Å
440R84.9Confident85.5Confident44 Ų4447.4 Ų47.417%0.16622%0.224CC..Hα-helixtrans-66.6-21.4166.9-76.3177.9-172.2148.15.1113.9I436 Q437 L438 P444 L447 F451I436-R440 WeakPolarHBondContact O-CG 3.47Å; I436-R440 PolarHBondContact O-N 3.43Å; Q437-R440 PolarHBondContact O-N 3.15Å; L438-R440 VanDerWaalsContact C-N 3.28Å; L438-R440 PolarHBondContact O-N 2.77Å; R440-P444 VanDerWaalsContact O-CG 3.31Å; R440-P444 WeakPolarHBondContact O-CG 3.48Å; R440-L447 HydrophobicContact CG-CD1 3.82Å; R440-F451 VanDerWaalsContact CZ-O 3.25Å; R440-F451 PolarHBondContact NE-O 3.32Å; R440-F451 PolarHBondContact NH2-O 3.36Å
441T80.3Confident85.3Confident83 Ų8348.4 Ų48.451%0.50923%0.228SC..Hα-helixtrans-99-28.6176.750.20000112.8Q437 L438 F439 A462Q437-T441 PolarHBondContact O-N 2.95Å; L438-T441 PolarHBondContact O-N 3.37Å; L438-T441 PolarHBondContact O-OG1 3.15Å; F439-T441 PolarHBondContact O-N 3.27Å; T441-A462 WeakPolarHBondContact O-CB 3.04Å
442L80.1Confident84.7Confident44 Ų4453.1 Ų53.123%0.2325%0.246CC..Hα-helixtrans-90.3-58.2-179.1-65.3176.9000112.4P406 L438 V464P406-L442 HydrophobicContact CB-CD1 4.08Å; P406-L442 HydrophobicContact CG-CD1 3.94Å; P406-L442 HydrophobicContact CG-CD2 4.45Å; L438-L442 HydrophobicContact CD1-CD1 3.72Å; L438-L442 HydrophobicContact CD1-CG 4.11Å; L438-L442 HydrophobicContact CD2-CD1 4.17Å; L438-L442 HydrophobicContact CG-CD1 3.65Å; L438-L442 HydrophobicContact CG-CG 4.29Å; L438-L442 WeakPolarHBondContact O-CG 3.34Å; L438-L442 PolarHBondContact O-N 2.71Å; L442-V464 HydrophobicContact CB-CG2 4.12Å
443N82.3Confident84Confident43 Ų4355.2 Ų55.223%0.2327%0.268CS..  trans-149.791.9-179.1-172.9-11.7000111.2F439 Q445 V464F439-N443 CarbonylContact O-C 3.48Å; F439-N443 PolarHBondContact O-N 3.11Å; N443-Q445 PolarHBondContact O-N 3.02Å; N443-Q445 WeakPolarHBondContact OD1-CB 3.29Å; N443-Q445 PolarHBondContact OD1-N 2.88Å; N443-Q445 VanDerWaalsContact OD1-N 3.12Å; N443-V464 HydrophobicContact CB-CG2 3.76Å
444P82.3Confident83.1Confident14 Ų1460.3 Ų60.39%0.09129%0.291CS..G310 helixtrans-68.8-19.2-179.1-25.939.2000114.1R440 M446 L447 R452 S459R440-P444 VanDerWaalsContact O-CG 3.31Å; R440-P444 WeakPolarHBondContact O-CG 3.48Å; P444-M446 VanDerWaalsContact C-N 3.34Å; P444-L447 PolarHBondContact O-N 3.33Å; P444-R452 WeakPolarHBondContact O-CD 3.47Å; P444-R452 WeakPolarHBondContact O-CG 2.99Å; P444-R452 PolarHBondContact O-NE 3.24Å; P444-R452 VanDerWaalsContact O-NE 3.1Å; P444-S459 WeakPolarHBondContact CG-O 3.46Å
445Q83Confident82Confident151 Ų15164.6 Ų64.671%0.70632%0.32SS*.G310 helixtrans-68.8-37-177.1-59.8-170.41.400111.5N443 L447 R452N443-Q445 PolarHBondContact O-N 3.02Å; N443-Q445 WeakPolarHBondContact OD1-CB 3.29Å; N443-Q445 PolarHBondContact OD1-N 2.88Å; N443-Q445 VanDerWaalsContact OD1-N 3.12Å; Q445-L447 PolarHBondContact O-N 3.16Å; Q445-R452 PolarHBondContact O-NH2 3.17Å
446M83.8Confident80.9Confident25 Ų2566.5 Ų66.512%0.12333%0.331CS..G310 helixtrans-63.9-21.3177.5-161.2-175.6175.400113.4M409 T410 E411 L414 F439 P444M409-M446 HydrophobicContact CB-CE 3.94Å; M409-M446 HydrophobicContact CG-CE 3.58Å; M409-M446 WeakPolarHBondContact O-CE 3.28Å; T410-M446 WeakPolarHBondContact O-CE 3.35Å; E411-M446 HydrophobicContact CB-CE 4.46Å; E411-M446 HydrophobicContact CB-CG 4.38Å; E411-M446 HydrophobicContact CG-CG 4.41Å; E411-M446 VanDerWaalsContact N-CE 3.34Å; L414-M446 HydrophobicContact CB-CE 4.05Å; L414-M446 HydrophobicContact CD2-CB 4.1Å; L414-M446 HydrophobicContact CD2-CE 4.02Å; L414-M446 HydrophobicContact CD2-CG 3.7Å; L414-M446 HydrophobicContact CD2-SD 3.65Å; F439-M446 HydrophobicContact CD1-SD 3.92Å; F439-M446 HydrophobicContact CE1-CE 4.48Å; F439-M446 HydrophobicContact CE1-SD 3.63Å; P444-M446 VanDerWaalsContact C-N 3.34Å
447L85.6Confident79.6Confident3 Ų369.4 Ų69.42%0.01635%0.345CS..SBendtrans-82.5141.3174.1-69.5171.5000110.9L414 I436 F439 R440 P444 Q445 F451 R452L414-L447 HydrophobicContact CD1-CD2 4.41Å; L414-L447 HydrophobicContact CD2-CD2 3.78Å; L414-L447 HydrophobicContact CD2-CG 4.28Å; L414-L447 HydrophobicContact CG-CD2 4.06Å; I436-L447 HydrophobicContact CG2-CD1 4.2Å; F439-L447 HydrophobicContact CB-CD1 3.85Å; F439-L447 HydrophobicContact CB-CD2 4.16Å; F439-L447 HydrophobicContact CB-CG 3.95Å; R440-L447 HydrophobicContact CG-CD1 3.82Å; P444-L447 PolarHBondContact O-N 3.33Å; Q445-L447 PolarHBondContact O-N 3.16Å; L447-F451 HydrophobicContact CB-CB 4.4Å; L447-F451 HydrophobicContact CD2-CB 4.48Å; L447-R452 HydrophobicContact CB-CG 4.16Å; L447-R452 PolarHBondContact O-NE 3.21Å; L447-R452 PolarHBondContact O-NH2 3.29Å
448Q85Confident78.5Confident61 Ų6168.1 Ų68.129%0.28535%0.348SS..  trans-57.8149.4169.3-63.1-179.3-0.100111.3Q415 K450 F451 R452Q415-Q448 HydrophobicContact CG-CG 4Å; Q448-K450 PolarHBondContact O-N 3.13Å; Q448-F451 HydrophobicContact CB-CD2 4.02Å; Q448-F451 HydrophobicContact CB-CE2 4.47Å; Q448-F451 PolarHBondContact O-N 3.46Å; Q448-R452 PolarHBondContact O-N 3.44Å
449K83.4Confident77.4Confident182 Ų18268.4 Ų68.479%0.79135%0.351SS*.THydrogen-bonded Turntrans-48.6-35.1-179.1-68.1-177.8-179.8177.80113.7F451K449-F451 PolarHBondContact O-N 3.3Å
450K84.8Confident76.4Confident172 Ų17273.7 Ų73.775%0.74838%0.378SS*.THydrogen-bonded Turntrans-61.7-26.6177.4-62.4175.6-176.3170.50113.6Q448Q448-K450 PolarHBondContact O-N 3.13Å
451F82Confident75.5Confident25 Ų2575.2 Ų75.211%0.1139%0.387CS..THydrogen-bonded Turntrans-106-15.3-173.3-57.8-55.8000114.2A418 K421 I436 R440 L447 Q448 K449 G453A418-F451 HydrophobicContact CB-CD2 4.01Å; A418-F451 HydrophobicContact CB-CE2 3.91Å; A418-F451 HydrophobicContact CB-CZ 4.39Å; K421-F451 HydrophobicContact CD-CD1 3.87Å; K421-F451 HydrophobicContact CD-CE1 3.64Å; I436-F451 HydrophobicContact CD1-CD1 4.12Å; I436-F451 HydrophobicContact CD1-CG 4.45Å; I436-F451 HydrophobicContact CG2-CB 4.13Å; R440-F451 VanDerWaalsContact CZ-O 3.25Å; R440-F451 PolarHBondContact NE-O 3.32Å; R440-F451 PolarHBondContact NH2-O 3.36Å; L447-F451 HydrophobicContact CB-CB 4.4Å; L447-F451 HydrophobicContact CD2-CB 4.48Å; Q448-F451 HydrophobicContact CB-CD2 4.02Å; Q448-F451 HydrophobicContact CB-CE2 4.47Å; Q448-F451 PolarHBondContact O-N 3.46Å; K449-F451 PolarHBondContact O-N 3.3Å; F451-G453 PolarHBondContact O-N 3.37Å
452R77.4Confident74.8Confident98 Ų9872.3 Ų72.337%0.3737%0.372SS..SBendtrans-60-26.4-178.1-63.7-171.5-174.3169.8-0.3114.6P444 Q445 L447 Q448P444-R452 WeakPolarHBondContact O-CD 3.47Å; P444-R452 WeakPolarHBondContact O-CG 2.99Å; P444-R452 PolarHBondContact O-NE 3.24Å; P444-R452 VanDerWaalsContact O-NE 3.1Å; Q445-R452 PolarHBondContact O-NH2 3.17Å; L447-R452 HydrophobicContact CB-CG 4.16Å; L447-R452 PolarHBondContact O-NE 3.21Å; L447-R452 PolarHBondContact O-NH2 3.29Å; Q448-R452 PolarHBondContact O-N 3.44Å
453G76.1Confident74.3Confident45 Ų4578.2 Ų78.246%0.46439%0.391SS..  trans77.8-159-175.800000111.6F451F451-G453 PolarHBondContact O-N 3.37Å
454K70.4Confident73.6Confident153 Ų15377.3 Ų77.367%0.66539%0.387SS*.SBendtrans-82.5134.9174.1-72.3-171.9174.6-1620108.9T456K454-T456 PolarHBondContact O-N 3.45Å
455P64.7Low73.1Confident110 Ų11080.6 Ų80.671%0.71440%0.401SS*.  trans-61121.6174.1-17.429.6000109.7I460P455-I460 HydrophobicContact CB-CD1 4.16Å; P455-I460 HydrophobicContact CB-CG1 4.46Å
456T65.5Low72.7Confident41 Ų4179 Ų7925%0.25239%0.394SS..  trans-107.3148.8168.1-59.20000107.9K454 A458 S459 I460 A571K454-T456 PolarHBondContact O-N 3.45Å; T456-A458 VanDerWaalsContact C-N 3.27Å; T456-A458 HydrophobicContact CG2-CB 4.18Å; T456-A458 PolarHBondContact O-N 2.93Å; T456-S459 PolarHBondContact N-OG 3.49Å; T456-S459 WeakPolarHBondContact O-CA 3.27Å; T456-S459 WeakPolarHBondContact O-CB 2.97Å; T456-S459 PolarHBondContact O-N 3.28Å; T456-S459 PolarHBondContact O-OG 3.27Å; T456-I460 WeakPolarHBondContact O-CG1 3.4Å; T456-I460 PolarHBondContact O-N 3.47Å; T456-A571 VanDerWaalsContact CG2-CA 3.45Å; T456-A571 HydrophobicContact CG2-CB 3.4Å
457E62Low72.4Confident65 Ų6583.1 Ų83.130%0.30441%0.409SS..Hα-helixtrans-49-47.4173.3-72.7159.3-136.800112.5S459 I460 E461 N532 K567E457-S459 PolarHBondContact O-N 3.34Å; E457-I460 PolarHBondContact O-N 3.31Å; E457-E461 PolarHBondContact O-N 3.31Å; E457-N532 PolarHBondContact OE1-ND2 3.38Å; E457-N532 PolarHBondContact OE1-OD1 3.21Å; E457-N532 PolarHBondContact OE2-OD1 2.99Å; E457-K567 WeakPolarHBondContact OE2-CE 3.42Å
458A62.6Low71.5Confident51 Ų5185.8 Ų85.842%0.42144%0.437SS..Hα-helixtrans-60.4-26.8175.300000114.3T456 A462T456-A458 VanDerWaalsContact C-N 3.27Å; T456-A458 HydrophobicContact CG2-CB 4.18Å; T456-A458 PolarHBondContact O-N 2.93Å; A458-A462 WeakPolarHBondContact O-CB 3.42Å; A458-A462 PolarHBondContact O-N 3.3Å
459S62.3Low71.1Confident26 Ų2686.8 Ų86.818%0.18244%0.442CS..Hα-helixtrans-84.6-20.4175.5690000112.9P444 T456 E457P444-S459 WeakPolarHBondContact CG-O 3.46Å; T456-S459 PolarHBondContact N-OG 3.49Å; T456-S459 WeakPolarHBondContact O-CA 3.27Å; T456-S459 WeakPolarHBondContact O-CB 2.97Å; T456-S459 PolarHBondContact O-N 3.28Å; T456-S459 PolarHBondContact O-OG 3.27Å; E457-S459 PolarHBondContact O-N 3.34Å
460I66.3Low70.4Confident111 Ų11185.3 Ų85.357%0.56944%0.442SS*.Hα-helixtrans-83.5-34.5175.6-63.4164.3000109.5P455 T456 E457 A462P455-I460 HydrophobicContact CB-CD1 4.16Å; P455-I460 HydrophobicContact CB-CG1 4.46Å; T456-I460 WeakPolarHBondContact O-CG1 3.4Å; T456-I460 PolarHBondContact O-N 3.47Å; E457-I460 PolarHBondContact O-N 3.31Å; I460-A462 VanDerWaalsContact C-N 3.33Å
461E65.8Low69.6Low76 Ų7681.8 Ų81.836%0.35543%0.431SS..SBendtrans-74.7-19.3172.9-76.5164.6-15700114E457 R463 M536 K567E457-E461 PolarHBondContact O-N 3.31Å; E461-R463 PolarHBondContact O-N 3.01Å; E461-M536 HydrophobicContact CB-CE 4.19Å; E461-M536 HydrophobicContact CG-CE 3.48Å; E461-M536 VanDerWaalsContact CG-CE 3.48Å; E461-M536 HydrophobicContact CG-SD 3.34Å; E461-M536 WeakPolarHBondContact CG-SD 3.31Å; E461-K567 IonicContact OE1-NZ 3.47Å; E461-K567 PolarHBondContact OE1-NZ 2.92Å; E461-K567 IonicContact OE2-NZ 2.67Å; E461-K567 PolarHBondContact OE2-NZ 2.88Å
462A65.5Low68.8Low22 Ų2284.5 Ų84.518%0.18246%0.458CS..  trans-68.4102.6-179.100000111.5T441 A458 I460T441-A462 WeakPolarHBondContact O-CB 3.04Å; A458-A462 WeakPolarHBondContact O-CB 3.42Å; A458-A462 PolarHBondContact O-N 3.3Å; I460-A462 VanDerWaalsContact C-N 3.33Å
463R70.1Confident68.6Low168 Ų16884.5 Ų84.563%0.63446%0.461SS*.  trans-116.6139167.9-179.7179177.2-1731108.6E461 E466E461-R463 PolarHBondContact O-N 3.01Å; R463-E466 IonicContact NH2-OE1 3.13Å; R463-E466 PolarHBondContact NH2-OE1 2.77Å
464V67.9Low68.5Low24 Ų2489.1 Ų89.115%0.14548%0.475CS..PPolyproline II helixtrans-80.9128.5167.4168.70000107.7P406 L407 L442 N443P406-V464 HydrophobicContact CB-CG1 3.86Å; P406-V464 HydrophobicContact CB-CG2 3.77Å; P406-V464 HydrophobicContact CG-CG1 4.42Å; P406-V464 HydrophobicContact CG-CG2 4.43Å; L407-V464 HydrophobicContact CD2-CG1 3.59Å; L407-V464 HydrophobicContact CG-CG1 3.78Å; L442-V464 HydrophobicContact CB-CG2 4.12Å; N443-V464 HydrophobicContact CB-CG2 3.76Å
465Q70.6Confident68.7Low83 Ų8384.3 Ų84.339%0.38845%0.453SS..PPolyproline II helixtrans-59.1140.5173.1-76.9155.71.600110.4L407 E469L407-Q465 WeakPolarHBondContact CD1-O 3.38Å; Q465-E469 WeakPolarHBondContact CA-OE2 3.43Å; Q465-E469 HydrophobicContact CB-CB 4.25Å
466E75.7Confident69.2Low117 Ų11782.1 Ų82.155%0.54744%0.435SS..PPolyproline II helixtrans-68.6160.2170.5-72173.2-153.300110.5R463 G468 E469R463-E466 IonicContact NH2-OE1 3.13Å; R463-E466 PolarHBondContact NH2-OE1 2.77Å; E466-G468 PolarHBondContact O-N 2.92Å; E466-G468 VanDerWaalsContact O-N 3.07Å; E466-E469 HydrophobicContact CB-CB 4.28Å; E466-E469 PolarHBondContact N-OE2 2.99Å; E466-E469 VanDerWaalsContact O-CB 3.31Å; E466-E469 WeakPolarHBondContact O-CB 3.45Å; E466-E469 PolarHBondContact O-N 3.29Å
467Y76.7Confident69.5Low112 Ų11283 Ų8344%0.43944%0.441SS..THydrogen-bonded Turntrans-61.5117.1-176.7-179.6-107.1000110.2L364 V365L364-Y467 VanDerWaalsContact O-CE2 3.29Å; L364-Y467 WeakPolarHBondContact O-CE2 3.4Å; L364-Y467 PolarHBondContact O-OH 3.38Å; V365-Y467 WeakPolarHBondContact O-CE2 3.48Å
468G67.5Low69.8Low60 Ų6080.1 Ų80.162%0.61943%0.429SS*.THydrogen-bonded Turntrans84.75-176.400000115.5E466E466-G468 PolarHBondContact O-N 2.92Å; E466-G468 VanDerWaalsContact O-N 3.07Å
469E76.4Confident70.4Confident82 Ų8277.7 Ų77.738%0.38341%0.409SS..  trans-78.7121.2174.3-171.3-177.8-17300110.6Q465 E466Q465-E469 WeakPolarHBondContact CA-OE2 3.43Å; Q465-E469 HydrophobicContact CB-CB 4.25Å; E466-E469 HydrophobicContact CB-CB 4.28Å; E466-E469 PolarHBondContact N-OE2 2.99Å; E466-E469 VanDerWaalsContact O-CB 3.31Å; E466-E469 WeakPolarHBondContact O-CB 3.45Å; E466-E469 PolarHBondContact O-N 3.29Å
470L68.7Low71Confident151 Ų15177.9 Ų77.979%0.79141%0.407SS*.  trans-88.2135.9177.2-67170.7000110.9A472L470-A472 PolarHBondContact O-N 3.31Å
471D66.9Low71.3Confident97 Ų9774.1 Ų74.152%0.51939%0.389SS..  trans-75.755.7174.8-155.120.2000112.4K473D471-K473 PolarHBondContact O-N 2.94Å; D471-K473 VanDerWaalsContact O-N 3.13Å; D471-K473 WeakPolarHBondContact OD1-CE 3.21Å; D471-K473 IonicContact OD1-NZ 2.62Å; D471-K473 WeakPolarHBondContact OD2-CE 3.38Å; D471-K473 IonicContact OD2-NZ 2.68Å; D471-K473 PolarHBondContact OD2-NZ 3.07Å
472A66.6Low71.6Confident82 Ų8271.2 Ų71.268%0.67838%0.376SS*.  trans-77.895.8172.500000108.7L470L470-A472 PolarHBondContact O-N 3.31Å
473K71.6Confident71.8Confident99 Ų9977.4 Ų77.443%0.4340%0.401SS..  trans-84.2121.4174.2-65.4178.9-175.8142.50109.6D471 Y475 P477D471-K473 PolarHBondContact O-N 2.94Å; D471-K473 VanDerWaalsContact O-N 3.13Å; D471-K473 WeakPolarHBondContact OD1-CE 3.21Å; D471-K473 IonicContact OD1-NZ 2.62Å; D471-K473 WeakPolarHBondContact OD2-CE 3.38Å; D471-K473 IonicContact OD2-NZ 2.68Å; D471-K473 PolarHBondContact OD2-NZ 3.07Å; K473-Y475 PolarHBondContact O-N 3.4Å; K473-P477 HydrophobicContact CD-CG 3.88Å
474D73.9Confident71.3Confident141 Ų14172.4 Ų72.475%0.75439%0.389SS*.SBendtrans-72.1-1.3173-56.2-39.8000113.2
475Y75.4Confident70.5Confident53 Ų5378.1 Ų78.121%0.20841%0.414CS..SBendtrans-139.1152.4-174.763.7-86000112K473 P477 K540 A543K473-Y475 PolarHBondContact O-N 3.4Å; Y475-P477 WeakPolarHBondContact O-CD 3.33Å; Y475-K540 HydrophobicContact CE1-CB 4.44Å; Y475-K540 HydrophobicContact CE1-CG 4.29Å; Y475-A543 HydrophobicContact CD2-CB 3.64Å; Y475-A543 HydrophobicContact CE2-CB 4.41Å; Y475-A543 HydrophobicContact CG-CB 4.06Å
476I75.3Confident69.2Low64 Ų6482.9 Ų82.933%0.32843%0.433SS..  trans-77.1120.2173.7-58.3-178.2000108.6G478 A479 S547 L552 F557I476-G478 PolarHBondContact O-N 3.5Å; I476-A479 HydrophobicContact CB-CB 4.21Å; I476-A479 WeakPolarHBondContact O-CB 3.43Å; I476-A479 PolarHBondContact O-N 3.37Å; I476-S547 PolarHBondContact N-OG 3.18Å; I476-L552 HydrophobicContact CD1-CD1 3.41Å; I476-L552 VanDerWaalsContact CD1-CD1 3.41Å; I476-F557 HydrophobicContact CD1-CE1 4.25Å
477P71.5Confident67.2Low58 Ų5886.2 Ų86.238%0.37745%0.449SS..THydrogen-bonded Turntrans-56.9131.1177.9-24.734.5000111.3K473 Y475 A479 Q564K473-P477 HydrophobicContact CD-CG 3.88Å; Y475-P477 WeakPolarHBondContact O-CD 3.33Å; P477-A479 VanDerWaalsContact C-N 3.35Å; P477-Q564 PolarHBondContact O-NE2 2.95Å
478G69Low65.2Low6 Ų689.9 Ų89.96%0.06247%0.47CS..THydrogen-bonded Turntrans88.8-4.8-177.700000114.3I476 E480 V481I476-G478 PolarHBondContact O-N 3.5Å; G478-E480 VanDerWaalsContact CA-CD 3.43Å; G478-E480 WeakPolarHBondContact CA-OE1 3.46Å; G478-E480 WeakPolarHBondContact CA-OE2 3.16Å; G478-E480 PolarHBondContact N-OE2 2.89Å; G478-E480 PolarHBondContact O-N 3.38Å; G478-V481 WeakPolarHBondContact O-CG2 3.4Å; G478-V481 PolarHBondContact O-N 2.99Å
479A74.1Confident63.5Low0 Ų094.5 Ų94.50%048%0.481CS..G310 helixtrans-66.9-15.2174.300000113.2I476 P477 V481 L482 A543 V546 I560I476-A479 HydrophobicContact CB-CB 4.21Å; I476-A479 WeakPolarHBondContact O-CB 3.43Å; I476-A479 PolarHBondContact O-N 3.37Å; P477-A479 VanDerWaalsContact C-N 3.35Å; A479-V481 PolarHBondContact O-N 2.76Å; A479-V481 VanDerWaalsContact O-N 3.11Å; A479-L482 PolarHBondContact O-N 3.5Å; A479-L482 VanDerWaalsContact O-N 3.14Å; A479-A543 HydrophobicContact CB-CB 4.21Å; A479-V546 HydrophobicContact CB-CG1 4.3Å; A479-I560 HydrophobicContact CB-CD1 4.44Å
480E75.5Confident61.7Low29 Ų2994.9 Ų94.914%0.13650%0.498CS..G310 helixtrans-59.7-21.1174.763.8-84.8-167.500114G478 L482 L531 R539 K542 A543G478-E480 VanDerWaalsContact CA-CD 3.43Å; G478-E480 WeakPolarHBondContact CA-OE1 3.46Å; G478-E480 WeakPolarHBondContact CA-OE2 3.16Å; G478-E480 PolarHBondContact N-OE2 2.89Å; G478-E480 PolarHBondContact O-N 3.38Å; E480-L482 VanDerWaalsContact C-N 3.31Å; E480-L531 HydrophobicContact CB-CD2 4.12Å; E480-L531 HydrophobicContact CG-CD1 4.4Å; E480-L531 HydrophobicContact CG-CD2 4.21Å; E480-L531 WeakPolarHBondContact O-CD2 3.31Å; E480-R539 HydrophobicContact CB-CB 4.47Å; E480-K542 PolarHBondContact O-NZ 3.42Å; E480-A543 HydrophobicContact CB-CB 4.24Å
481V71.9Confident60Low32 Ų3296 Ų9619%0.19450%0.499CS..G310 helixtrans-75.2-23.5-179-178.70000112G478 A479 I527 L531 A563G478-V481 WeakPolarHBondContact O-CG2 3.4Å; G478-V481 PolarHBondContact O-N 2.99Å; A479-V481 PolarHBondContact O-N 2.76Å; A479-V481 VanDerWaalsContact O-N 3.11Å; V481-I527 HydrophobicContact CG1-CG2 4.41Å; V481-L531 HydrophobicContact CB-CD1 4.49Å; V481-L531 HydrophobicContact CG2-CD1 4Å; V481-A563 HydrophobicContact CB-CB 4.23Å; V481-A563 HydrophobicContact CG1-CB 3.96Å; V481-A563 HydrophobicContact CG2-CB 3.57Å
482L71.9Confident58.2Low16 Ų1697.9 Ų97.98%0.08451%0.509CS..SBendtrans-78148.1176.6-58.6173000109.9A479 E480 K542 V546 L552 D556 K559 I560A479-L482 PolarHBondContact O-N 3.5Å; A479-L482 VanDerWaalsContact O-N 3.14Å; E480-L482 VanDerWaalsContact C-N 3.31Å; L482-K542 VanDerWaalsContact O-CE 3.31Å; L482-K542 WeakPolarHBondContact O-CE 3.38Å; L482-K542 PolarHBondContact O-NZ 3.34Å; L482-V546 HydrophobicContact CB-CG1 4.05Å; L482-V546 HydrophobicContact CD1-CG1 3.97Å; L482-L552 HydrophobicContact CD1-CD2 3.22Å; L482-D556 HydrophobicContact CD1-CB 3.91Å; L482-D556 HydrophobicContact CD2-CB 4.11Å; L482-K559 HydrophobicContact CD2-CB 4.29Å; L482-K559 HydrophobicContact CD2-CD 4.28Å; L482-I560 HydrophobicContact CD1-CD1 3.83Å; L482-I560 HydrophobicContact CD1-CG1 4.13Å; L482-I560 HydrophobicContact CG-CG1 4.33Å
483E70.3Confident56.5Low152 Ų152100.5 Ų100.571%0.7151%0.512SS*.  trans-76.7139.2173.7-63.4-17116000108.9E485E483-E485 PolarHBondContact O-N 3.05Å
484V60.2Low54.5Low63 Ų63103.7 Ų103.738%0.38253%0.528SS..  trans-79115.2167.5179.90000104.3K486 K542 V546V484-K486 VanDerWaalsContact C-N 3.34Å; V484-K486 PolarHBondContact O-N 2.87Å; V484-K542 HydrophobicContact CG2-CG 3.96Å; V484-V546 HydrophobicContact CG2-CG2 3.67Å
485E51.3Low52.6Low143 Ų143104 Ų10467%0.66853%0.53SS*.  trans-57.2106165.4-78.3170.6-154.200106E483 E487 R550E483-E485 PolarHBondContact O-N 3.05Å; E485-E487 PolarHBondContact O-N 3.06Å; E485-R550 IonicContact OE1-CZ 2.81Å; E485-R550 IonicContact OE1-NH1 2.84Å; E485-R550 PolarHBondContact OE1-NH1 3.45Å
486K42.2Very low50.4Low183 Ų183104.4 Ų104.480%0.79655%0.55SS*.  trans-64.1122.9161.9-72.1-179.4178.5178.80103.8V484 E488V484-K486 VanDerWaalsContact C-N 3.34Å; V484-K486 PolarHBondContact O-N 2.87Å; K486-E488 VanDerWaalsContact C-N 3.31Å; K486-E488 PolarHBondContact O-N 2.97Å
487E35Very low48.4Very low187 Ų187112.1 Ų112.187%0.87458%0.575SS**  trans-48.2106.6162.8-73175.7158.700106.3E485 N489E485-E487 PolarHBondContact O-N 3.06Å; E487-N489 VanDerWaalsContact C-N 3.34Å; E487-N489 PolarHBondContact O-N 3.02Å
488E34.8Very low46.2Very low189 Ų189117 Ų11788%0.88359%0.593SS**  trans-62.4105.9170.3-77.1-175.7160.300104.8K486 A490K486-E488 VanDerWaalsContact C-N 3.31Å; K486-E488 PolarHBondContact O-N 2.97Å; E488-A490 PolarHBondContact O-N 3.13Å
489N30.1Very low44.3Very low158 Ų158121.7 Ų121.785%0.84563%0.625SS**  trans-49.8107.6163.2-92.7-16.5000106.8E487 E491E487-N489 VanDerWaalsContact C-N 3.34Å; E487-N489 PolarHBondContact O-N 3.02Å; N489-E491 PolarHBondContact O-N 3.43Å; N489-E491 VanDerWaalsContact O-N 3.1Å
490A38.6Very low41.9Very low90 Ų90128.8 Ų128.874%0.74467%0.668SS**  trans-58.3108.6160.700000107.5E488E488-A490 PolarHBondContact O-N 3.13Å
491E34.9Very low39.6Very low175 Ų175132.1 Ų132.182%0.81870%0.695SS**  trans163.7137.1133.4-88.2169.8-178.100112.3N489N489-E491 PolarHBondContact O-N 3.43Å; N489-E491 VanDerWaalsContact O-N 3.1Å
492N28.2Very low37.3Very low135 Ų135138.5 Ų138.572%0.72273%0.727SS**  trans79.5135.5167.7-64.714.5000117.7
493D29.8Very low35Very low137 Ų137143.1 Ų143.173%0.73376%0.761SS**  cis-167.6164.4-1.4-106-31.5000108.2
494E31.1Very low33.3Very low166 Ų166144.8 Ų144.878%0.77677%0.769SS**  trans-44159.6-179.5-108.7169.1154.100120.9
495D32.8Very low31.6Very low148 Ų148151.3 Ų151.379%0.79180%0.795SS**  trans90.2116.8145.2-62.5-24.6000123.6
496G29.9Very low30.6Very low61 Ų61153.6 Ų153.663%0.62981%0.806SS**  130116.1113.300000120.4
497W34.3Very low29.9Very low227 Ų227154.2 Ų154.286%0.8681%0.811SS**  trans80.8133.5147.9-64.383.5000119
498E23.9Very low29.4Very low161 Ų161152.8 Ų152.875%0.75281%0.81SS**  cis-164.7151.13.3-165.8175.5-172.600109.9
499S29.7Very low29.2Very low104 Ų104148.2 Ų148.273%0.72780%0.804SS**  trans-70.9153.4173-57.80000114.1
500T23.5Very low29Very low149 Ų149149 Ų14991%0.91481%0.808SS**  trans-147.4132.4136.643.10000111.4
501S26.2Very low28.8Very low99 Ų99148 Ų14869%0.69281%0.807SS**  trans-104.1169.5-173.149.10000113
502L24.1Very low28.3Very low166 Ų166148.3 Ų148.387%0.86981%0.808SS**  trans94.2135.5164.2-57.5154.4000114.4
503S23.7Very low28.5Very low113 Ų113153.8 Ų153.879%0.7982%0.819SS**  cis-163.9156.822.943.90000111.3
504E34.7Very low28.3Very low187 Ų187154.1 Ų154.187%0.87482%0.819SS**  trans-72.3142.5166.8-67.6175.1152.700112
505E24.7Very low28.2Very low200 Ų200152.7 Ų152.794%0.93582%0.817SS**  trans176.2148.6131.9-96.6178.2-166.600111.6
506E30.9Very low28.1Very low191 Ų191151.1 Ų151.189%0.89381%0.813SS**  trans-72.1150.2-170.3-58.6175.5144.200114.9
507E26.1Very low28Very low196 Ų196155 Ų15592%0.91682%0.815SS**  172.8160.2128.3-98.1-176.7177.700113.6
508D26.1Very low27.8Very low157 Ų157152 Ų15284%0.8481%0.81SS**  trans-73.6149.3-150.2-81.4-55.2000120.6
509A29.6Very low28.2Very low92 Ų92148.7 Ų148.776%0.7680%0.804SS**  trans51.2114.2135.900000122.3
510D25.7Very low28.9Very low174 Ų174146.7 Ų146.793%0.9379%0.79SS**  -164.5139.6106.7-137-10.8000112.2
511G34.6Very low29.8Very low71 Ų71143 Ų14373%0.73277%0.765SS**  trans-81.2126.9-160.600000116.9
512E25.6Very low30.7Very low180 Ų180144.7 Ų144.784%0.84176%0.762SS**  trans-124.4107.4160.3-163.6167.6-15900109.5I514E512-I514 PolarHBondContact O-N 3.38Å; E512-I514 VanDerWaalsContact O-N 3.08Å
513W31.3Very low32Very low250 Ų250142.7 Ų142.795%0.94775%0.748SS**  trans-69.8103.5178.8-80.168.2000110.1D515W513-D515 PolarHBondContact O-N 3.31Å
514I26.2Very low33.3Very low144 Ų144140 Ų14074%0.73872%0.723SS**  trans-67.7123.4169.3-66.7165000108.8E512 V516E512-I514 PolarHBondContact O-N 3.38Å; E512-I514 VanDerWaalsContact O-N 3.08Å; I514-V516 PolarHBondContact O-N 2.9Å
515D29.1Very low34.2Very low136 Ų136135.2 Ų135.273%0.72770%0.701SS**  trans-70.394.7175.9-16320.7000108.7W513 Q517W513-D515 PolarHBondContact O-N 3.31Å; D515-Q517 VanDerWaalsContact C-N 3.31Å; D515-Q517 PolarHBondContact O-N 3.43Å
516V29.9Very low35.8Very low116 Ų116131.2 Ų131.270%0.70368%0.682SS**  trans-68.389.1176.1-1740000108.9I514 H518I514-V516 PolarHBondContact O-N 2.9Å; V516-H518 PolarHBondContact O-N 3.27Å
517Q27.8Very low37.2Very low143 Ų143124.2 Ų124.267%0.66865%0.65SS**  trans-72.1116.5162.1-67.5-176.62.200107.6D515 S519D515-Q517 VanDerWaalsContact C-N 3.31Å; D515-Q517 PolarHBondContact O-N 3.43Å; Q517-S519 PolarHBondContact O-N 3.33Å
518H30.9Very low38.7Very low164 Ų164117.3 Ų117.376%0.75962%0.624SS**  trans-56.3120.4176.5-83-84000110.9V516 S520 D521V516-H518 PolarHBondContact O-N 3.27Å; H518-S520 PolarHBondContact O-N 2.8Å; H518-S520 VanDerWaalsContact O-N 3.1Å; H518-D521 PolarHBondContact O-N 3.46Å
519S31.2Very low40.5Very low90 Ų90116.4 Ų116.463%0.62961%0.612SS**THydrogen-bonded Turntrans-63.9-15.7-174.7100.40000114.5Q517 D521 E522Q517-S519 PolarHBondContact O-N 3.33Å; S519-D521 VanDerWaalsContact C-N 3.29Å; S519-D521 PolarHBondContact O-N 3.21Å; S519-E522 PolarHBondContact O-N 3.45Å
520S44Very low42.2Very low63 Ų63118.5 Ų118.544%0.44160%0.604SS.*Hα-helixtrans-69.2-19.4179.5-169.10000114.4H518 Q524H518-S520 PolarHBondContact O-N 2.8Å; H518-S520 VanDerWaalsContact O-N 3.1Å; S520-Q524 VanDerWaalsContact O-CD 3.25Å; S520-Q524 VanDerWaalsContact O-CG 3.3Å; S520-Q524 WeakPolarHBondContact O-CG 3.33Å; S520-Q524 PolarHBondContact OG-NE2 3.26Å
521D42.7Very low43.8Very low72 Ų72110.8 Ų110.839%0.38556%0.563SS.*Hα-helixtrans-82.8-24.4-179-157.322000113.1H518 S519 Q525 R566H518-D521 PolarHBondContact O-N 3.46Å; S519-D521 VanDerWaalsContact C-N 3.29Å; S519-D521 PolarHBondContact O-N 3.21Å; D521-Q525 WeakPolarHBondContact O-CG 3.19Å; D521-Q525 PolarHBondContact O-N 3.37Å; D521-R566 IonicContact OD1-CZ 3.81Å; D521-R566 IonicContact OD1-NH1 3.76Å; D521-R566 PolarHBondContact OD1-NH1 3.41Å; D521-R566 IonicContact OD1-NH2 3.59Å; D521-R566 PolarHBondContact OD1-NH2 3.25Å
522E46.2Very low45.2Very low133 Ų133110.9 Ų110.962%0.62155%0.547SS*.Hα-helixtrans-78.5-44.7177.4-71-167.6152.700111.9S519 Q524 Q525 E526S519-E522 PolarHBondContact O-N 3.45Å; E522-Q524 VanDerWaalsContact C-N 3.33Å; E522-Q524 PolarHBondContact O-N 3.11Å; E522-Q525 WeakPolarHBondContact O-CB 3.33Å; E522-Q525 PolarHBondContact O-N 3.36Å; E522-Q525 VanDerWaalsContact O-N 3.08Å; E522-E526 PolarHBondContact O-N 3.45Å
523E50.8Low47Very low125 Ų125107 Ų10758%0.58454%0.539SS*.Hα-helixtrans-58.2-43.7174.7-77.4179.7158.600112Q525 E526 I527E523-Q525 VanDerWaalsContact C-N 3.29Å; E523-Q525 PolarHBondContact O-N 2.88Å; E523-E526 PolarHBondContact O-N 2.62Å; E523-E526 VanDerWaalsContact O-N 3.17Å; E523-I527 WeakPolarHBondContact O-CD1 3.46Å; E523-I527 VanDerWaalsContact O-CG1 3.24Å; E523-I527 WeakPolarHBondContact O-CG1 3.45Å; E523-I527 PolarHBondContact O-N 3.47Å
524Q51.1Low48.7Very low56 Ų5697.3 Ų97.326%0.26251%0.505SS..Hα-helixtrans-66.4-30.6177.3-71.6168.85.600112.6S520 E522 S528 R566S520-Q524 VanDerWaalsContact O-CD 3.25Å; S520-Q524 VanDerWaalsContact O-CG 3.3Å; S520-Q524 WeakPolarHBondContact O-CG 3.33Å; S520-Q524 PolarHBondContact OG-NE2 3.26Å; E522-Q524 VanDerWaalsContact C-N 3.33Å; E522-Q524 PolarHBondContact O-N 3.11Å; Q524-S528 WeakPolarHBondContact O-CB 3.24Å; Q524-S528 PolarHBondContact O-N 3.15Å; Q524-S528 VanDerWaalsContact O-N 3.1Å; Q524-S528 PolarHBondContact O-OG 2.74Å; Q524-R566 VanDerWaalsContact OE1-CZ 3.3Å
525Q53.8Low50.9Low87 Ų8794.2 Ų94.241%0.40750%0.495SS..Hα-helixtrans-72.4-33.9172.9-81.3-179.530.800112.5D521 E522 E523 S528 K529D521-Q525 WeakPolarHBondContact O-CG 3.19Å; D521-Q525 PolarHBondContact O-N 3.37Å; E522-Q525 WeakPolarHBondContact O-CB 3.33Å; E522-Q525 PolarHBondContact O-N 3.36Å; E522-Q525 VanDerWaalsContact O-N 3.08Å; E523-Q525 VanDerWaalsContact C-N 3.29Å; E523-Q525 PolarHBondContact O-N 2.88Å; Q525-S528 WeakPolarHBondContact CA-OG 3.38Å; Q525-S528 PolarHBondContact O-OG 3.22Å; Q525-K529 WeakPolarHBondContact O-CD 3.21Å; Q525-K529 VanDerWaalsContact O-CG 3.22Å; Q525-K529 WeakPolarHBondContact O-CG 3.49Å; Q525-K529 PolarHBondContact O-N 2.94Å; Q525-K529 VanDerWaalsContact O-N 3.15Å
526E58.2Low52.7Low115 Ų11590.8 Ų90.854%0.53748%0.475SS..Hα-helixtrans-69.9-44.9173.2-67.9-146.4149.700112.3E522 E523 S528 K529 K530E522-E526 PolarHBondContact O-N 3.45Å; E523-E526 PolarHBondContact O-N 2.62Å; E523-E526 VanDerWaalsContact O-N 3.17Å; E526-S528 VanDerWaalsContact C-N 3.33Å; E526-S528 PolarHBondContact O-N 3.32Å; E526-K529 PolarHBondContact O-N 2.88Å; E526-K530 WeakPolarHBondContact O-CG 3.48Å; E526-K530 PolarHBondContact O-N 2.71Å
527I60Low54.7Low45 Ų4593.2 Ų93.223%0.23148%0.479CS..Hα-helixtrans-60.7-43.8178.2-64.9160.9000110.4V481 E523 K529 K530 L531V481-I527 HydrophobicContact CG1-CG2 4.41Å; E523-I527 WeakPolarHBondContact O-CD1 3.46Å; E523-I527 VanDerWaalsContact O-CG1 3.24Å; E523-I527 WeakPolarHBondContact O-CG1 3.45Å; E523-I527 PolarHBondContact O-N 3.47Å; I527-K529 PolarHBondContact O-N 2.96Å; I527-K530 PolarHBondContact O-N 3.33Å; I527-L531 HydrophobicContact CG2-CD1 3.81Å; I527-L531 HydrophobicContact CG2-CG 4.41Å; I527-L531 WeakPolarHBondContact O-CB 3.45Å; I527-L531 VanDerWaalsContact O-CG 3.3Å; I527-L531 WeakPolarHBondContact O-CG 3.22Å; I527-L531 PolarHBondContact O-N 3.3Å
528S58.9Low56.9Low51 Ų5191.4 Ų91.436%0.35747%0.47SS..Hα-helixtrans-65.7-36176.454.40000113.3Q524 Q525 E526 N532Q524-S528 WeakPolarHBondContact O-CB 3.24Å; Q524-S528 PolarHBondContact O-N 3.15Å; Q524-S528 VanDerWaalsContact O-N 3.1Å; Q524-S528 PolarHBondContact O-OG 2.74Å; Q525-S528 WeakPolarHBondContact CA-OG 3.38Å; Q525-S528 PolarHBondContact O-OG 3.22Å; E526-S528 VanDerWaalsContact C-N 3.33Å; E526-S528 PolarHBondContact O-N 3.32Å; S528-N532 WeakPolarHBondContact O-CB 3.39Å; S528-N532 VanDerWaalsContact O-CG 3.22Å; S528-N532 PolarHBondContact O-N 2.72Å; S528-N532 PolarHBondContact O-ND2 2.99Å
529K63.9Low58.9Low137 Ų13785 Ų8560%0.59644%0.439SS*.Hα-helixtrans-67.1-44.1173.1-74.6169.6-170.6167.50112.1Q525 E526 I527 N532 S533Q525-K529 WeakPolarHBondContact O-CD 3.21Å; Q525-K529 VanDerWaalsContact O-CG 3.22Å; Q525-K529 WeakPolarHBondContact O-CG 3.49Å; Q525-K529 PolarHBondContact O-N 2.94Å; Q525-K529 VanDerWaalsContact O-N 3.15Å; E526-K529 PolarHBondContact O-N 2.88Å; I527-K529 PolarHBondContact O-N 2.96Å; K529-N532 PolarHBondContact O-N 3.08Å; K529-S533 PolarHBondContact O-N 3.23Å; K529-S533 VanDerWaalsContact O-N 3.1Å
530K64.1Low61.1Low136 Ų13685.2 Ų85.259%0.59143%0.429SS*.Hα-helixtrans-61.6-49.5176.2-75178.9-178.2171.30110.7E526 I527 N532 S533 M534E526-K530 WeakPolarHBondContact O-CG 3.48Å; E526-K530 PolarHBondContact O-N 2.71Å; I527-K530 PolarHBondContact O-N 3.33Å; K530-N532 VanDerWaalsContact C-N 3.27Å; K530-N532 PolarHBondContact O-N 2.8Å; K530-S533 PolarHBondContact O-N 3.11Å; K530-S533 VanDerWaalsContact O-N 3.09Å; K530-S533 PolarHBondContact O-OG 3.02Å; K530-M534 PolarHBondContact O-N 3.02Å
531L60.6Low62.8Low13 Ų1385.1 Ų85.17%0.06843%0.431CS..Hα-helixtrans-56.4-44.6173.5-74.7166.5000110.9E480 V481 I527 S533 M534 R539E480-L531 HydrophobicContact CB-CD2 4.12Å; E480-L531 HydrophobicContact CG-CD1 4.4Å; E480-L531 HydrophobicContact CG-CD2 4.21Å; E480-L531 WeakPolarHBondContact O-CD2 3.31Å; V481-L531 HydrophobicContact CB-CD1 4.49Å; V481-L531 HydrophobicContact CG2-CD1 4Å; I527-L531 HydrophobicContact CG2-CD1 3.81Å; I527-L531 HydrophobicContact CG2-CG 4.41Å; I527-L531 WeakPolarHBondContact O-CB 3.45Å; I527-L531 VanDerWaalsContact O-CG 3.3Å; I527-L531 WeakPolarHBondContact O-CG 3.22Å; I527-L531 PolarHBondContact O-N 3.3Å; L531-S533 PolarHBondContact O-N 3.4Å; L531-M534 HydrophobicContact CD2-SD 4.38Å; L531-M534 WeakPolarHBondContact O-CB 3.25Å; L531-M534 PolarHBondContact O-N 3.42Å; L531-R539 HydrophobicContact CD2-CG 4.47Å; L531-R539 PolarHBondContact O-NE 2.76Å; L531-R539 PolarHBondContact O-NH2 3.27Å
532N62Low64.6Low73 Ų7384 Ų8439%0.3942%0.423SS..Hα-helixtrans-63.3-22.9179.5-81.3-18.5000115.7E457 S528 K529 K530 R539E457-N532 PolarHBondContact OE1-ND2 3.38Å; E457-N532 PolarHBondContact OE1-OD1 3.21Å; E457-N532 PolarHBondContact OE2-OD1 2.99Å; S528-N532 WeakPolarHBondContact O-CB 3.39Å; S528-N532 VanDerWaalsContact O-CG 3.22Å; S528-N532 PolarHBondContact O-N 2.72Å; S528-N532 PolarHBondContact O-ND2 2.99Å; K529-N532 PolarHBondContact O-N 3.08Å; K530-N532 VanDerWaalsContact C-N 3.27Å; K530-N532 PolarHBondContact O-N 2.8Å; N532-R539 VanDerWaalsContact C-NH2 3.3Å; N532-R539 PolarHBondContact O-NH2 3.42Å; N532-R539 PolarHBondContact OD1-NH1 3.08Å
533S65.4Low66.1Low97 Ų9777.7 Ų77.768%0.67839%0.394SS*.Hα-helixtrans-82.2-17.5172.166.10000114.3K529 K530 L531K529-S533 PolarHBondContact O-N 3.23Å; K529-S533 VanDerWaalsContact O-N 3.1Å; K530-S533 PolarHBondContact O-N 3.11Å; K530-S533 VanDerWaalsContact O-N 3.09Å; K530-S533 PolarHBondContact O-OG 3.02Å; L531-S533 PolarHBondContact O-N 3.4Å
534M66.1Low67.5Low48 Ų4873 Ų7324%0.23638%0.377CS..SBendtrans-82.1143.4-179.4-64.4174.478.100112.3K530 L531 E538 R539K530-M534 PolarHBondContact O-N 3.02Å; L531-M534 HydrophobicContact CD2-SD 4.38Å; L531-M534 WeakPolarHBondContact O-CB 3.25Å; L531-M534 PolarHBondContact O-N 3.42Å; M534-E538 HydrophobicContact CE-CB 4.2Å; M534-E538 HydrophobicContact CE-CG 3.59Å; M534-E538 WeakPolarHBondContact CE-OE1 3.31Å; M534-R539 HydrophobicContact CB-CG 4.24Å; M534-R539 PolarHBondContact O-NE 3.15Å; M534-R539 VanDerWaalsContact O-NE 3.08Å; M534-R539 PolarHBondContact O-NH2 3.05Å
535P73.1Confident69Low79 Ų7972.3 Ų72.351%0.51338%0.38SS..  trans-54.5150.2169.5-20.430.6000113E537 E538 R539P535-E537 VanDerWaalsContact C-N 3.31Å; P535-E537 PolarHBondContact O-N 3.18Å; P535-E538 HydrophobicContact CB-CB 4.46Å; P535-E538 VanDerWaalsContact CD-OE2 3.27Å; P535-E538 WeakPolarHBondContact CD-OE2 3.41Å; P535-E538 PolarHBondContact O-N 3.39Å; P535-R539 PolarHBondContact O-N 3.49Å
536M65.3Low70.2Confident64 Ų6468.4 Ų68.432%0.31536%0.362SS..Hα-helixtrans-59.2-37.6-178.8-100.5-92.1-82.600113.7E461 K540E461-M536 HydrophobicContact CB-CE 4.19Å; E461-M536 HydrophobicContact CG-CE 3.48Å; E461-M536 VanDerWaalsContact CG-CE 3.48Å; E461-M536 HydrophobicContact CG-SD 3.34Å; E461-M536 WeakPolarHBondContact CG-SD 3.31Å; M536-K540 WeakPolarHBondContact O-CG 3.39Å; M536-K540 PolarHBondContact O-N 3.19Å
537E72.1Confident71.2Confident167 Ų16764.4 Ų64.478%0.7835%0.347SS*.Hα-helixtrans-68.1-38178.2-76.6166.916800111.9P535 R539 K540 A541P535-E537 VanDerWaalsContact C-N 3.31Å; P535-E537 PolarHBondContact O-N 3.18Å; E537-R539 PolarHBondContact O-N 3.3Å; E537-K540 PolarHBondContact O-N 3.24Å; E537-A541 WeakPolarHBondContact O-CB 3.35Å; E537-A541 PolarHBondContact O-N 3.11Å
538E74.6Confident72.2Confident104 Ų10467.8 Ų67.849%0.48637%0.37SS..Hα-helixtrans-68.9-35.9179.2-155.5-179.5173.100111.7M534 P535 A541 K542M534-E538 HydrophobicContact CE-CB 4.2Å; M534-E538 HydrophobicContact CE-CG 3.59Å; M534-E538 WeakPolarHBondContact CE-OE1 3.31Å; P535-E538 HydrophobicContact CB-CB 4.46Å; P535-E538 VanDerWaalsContact CD-OE2 3.27Å; P535-E538 WeakPolarHBondContact CD-OE2 3.41Å; P535-E538 PolarHBondContact O-N 3.39Å; E538-A541 PolarHBondContact O-N 3.32Å; E538-K542 WeakPolarHBondContact O-CB 3.47Å; E538-K542 PolarHBondContact O-N 2.7Å
539R74Confident73.2Confident31 Ų3169.6 Ų69.612%0.11738%0.382CS..Hα-helixtrans-64.3-42.7172.5-63.8-176-150.6-169.95.8112.2E480 L531 N532 M534 P535 E537 K542 A543E480-R539 HydrophobicContact CB-CB 4.47Å; L531-R539 HydrophobicContact CD2-CG 4.47Å; L531-R539 PolarHBondContact O-NE 2.76Å; L531-R539 PolarHBondContact O-NH2 3.27Å; N532-R539 VanDerWaalsContact C-NH2 3.3Å; N532-R539 PolarHBondContact O-NH2 3.42Å; N532-R539 PolarHBondContact OD1-NH1 3.08Å; M534-R539 HydrophobicContact CB-CG 4.24Å; M534-R539 PolarHBondContact O-NE 3.15Å; M534-R539 VanDerWaalsContact O-NE 3.08Å; M534-R539 PolarHBondContact O-NH2 3.05Å; P535-R539 PolarHBondContact O-N 3.49Å; E537-R539 PolarHBondContact O-N 3.3Å; R539-K542 PolarHBondContact O-N 3.49Å; R539-A543 WeakPolarHBondContact O-CB 3.32Å; R539-A543 PolarHBondContact O-N 3.07Å
540K77.5Confident73.9Confident94 Ų9467.5 Ų67.541%0.40937%0.371SS..Hα-helixtrans-65.1-42.8177.2-72.4-179.2179.9-176.80111.4Y475 M536 E537 K542 A543 A544Y475-K540 HydrophobicContact CE1-CB 4.44Å; Y475-K540 HydrophobicContact CE1-CG 4.29Å; M536-K540 WeakPolarHBondContact O-CG 3.39Å; M536-K540 PolarHBondContact O-N 3.19Å; E537-K540 PolarHBondContact O-N 3.24Å; K540-K542 PolarHBondContact O-N 3.41Å; K540-A543 PolarHBondContact O-N 3.33Å; K540-A544 WeakPolarHBondContact O-CB 3.39Å; K540-A544 PolarHBondContact O-N 3.05Å
541A79.2Confident74.5Confident60 Ų6067.4 Ų67.450%0.49638%0.381SS..Hα-helixtrans-61.6-43.1175.600000111.6E537 E538 A544 A545E537-A541 WeakPolarHBondContact O-CB 3.35Å; E537-A541 PolarHBondContact O-N 3.11Å; E538-A541 PolarHBondContact O-N 3.32Å; A541-A544 PolarHBondContact O-N 3.33Å; A541-A545 WeakPolarHBondContact O-CB 3.18Å; A541-A545 PolarHBondContact O-N 3.34Å
542K79Confident75.5Confident50 Ų5068 Ų6822%0.21738%0.384CS..Hα-helixtrans-62.4-44.8174.6-167.1-175.9178.2-150.40111.9E480 L482 V484 E538 R539 K540 A544 A545 V546E480-K542 PolarHBondContact O-NZ 3.42Å; L482-K542 VanDerWaalsContact O-CE 3.31Å; L482-K542 WeakPolarHBondContact O-CE 3.38Å; L482-K542 PolarHBondContact O-NZ 3.34Å; V484-K542 HydrophobicContact CG2-CG 3.96Å; E538-K542 WeakPolarHBondContact O-CB 3.47Å; E538-K542 PolarHBondContact O-N 2.7Å; R539-K542 PolarHBondContact O-N 3.49Å; K540-K542 PolarHBondContact O-N 3.41Å; K542-A544 VanDerWaalsContact C-N 3.34Å; K542-A544 PolarHBondContact O-N 3.29Å; K542-A545 PolarHBondContact O-N 3.46Å; K542-V546 VanDerWaalsContact O-CG2 3.31Å; K542-V546 WeakPolarHBondContact O-CG2 3.49Å; K542-V546 PolarHBondContact O-N 2.92Å
543A78.2Confident76.6Confident0 Ų067.5 Ų67.50%038%0.384CS..Hα-helixtrans-62.8-39.4176.800000112.5Y475 A479 E480 R539 K540 S547Y475-A543 HydrophobicContact CD2-CB 3.64Å; Y475-A543 HydrophobicContact CE2-CB 4.41Å; Y475-A543 HydrophobicContact CG-CB 4.06Å; A479-A543 HydrophobicContact CB-CB 4.21Å; E480-A543 HydrophobicContact CB-CB 4.24Å; R539-A543 WeakPolarHBondContact O-CB 3.32Å; R539-A543 PolarHBondContact O-N 3.07Å; K540-A543 PolarHBondContact O-N 3.33Å; A543-S547 WeakPolarHBondContact O-CB 3.3Å; A543-S547 PolarHBondContact O-N 3.14Å; A543-S547 PolarHBondContact O-OG 3.45Å
544A81.7Confident77.2Confident27 Ų2768.9 Ų68.922%0.22338%0.38CS..Hα-helixtrans-67.1-43.4175.600000111.9K540 A541 K542 S547 T548K540-A544 WeakPolarHBondContact O-CB 3.39Å; K540-A544 PolarHBondContact O-N 3.05Å; A541-A544 PolarHBondContact O-N 3.33Å; K542-A544 VanDerWaalsContact C-N 3.34Å; K542-A544 PolarHBondContact O-N 3.29Å; A544-S547 PolarHBondContact O-N 3.15Å; A544-T548 WeakPolarHBondContact O-CB 3.42Å; A544-T548 WeakPolarHBondContact O-CG2 3.4Å; A544-T548 PolarHBondContact O-N 3.47Å; A544-T548 PolarHBondContact O-OG1 3.05Å
545A81Confident77.8Confident41 Ų4172.7 Ų72.734%0.33940%0.397SS..Hα-helixtrans-60.5-46.4175.400000111.5A541 K542 S547 T548 S549A541-A545 WeakPolarHBondContact O-CB 3.18Å; A541-A545 PolarHBondContact O-N 3.34Å; K542-A545 PolarHBondContact O-N 3.46Å; A545-S547 PolarHBondContact O-N 3.36Å; A545-T548 PolarHBondContact O-N 3.48Å; A545-T548 PolarHBondContact O-OG1 3.07Å; A545-S549 WeakPolarHBondContact O-CB 3.31Å; A545-S549 PolarHBondContact O-N 3.25Å; A545-S549 PolarHBondContact O-OG 3.36Å
546V80.3Confident78.2Confident4 Ų469.3 Ų69.32%0.02438%0.375CS..Hα-helixtrans-62.7-42.2176.4172.10000111.7A479 L482 V484 K542 T548 R550 L552A479-V546 HydrophobicContact CB-CG1 4.3Å; L482-V546 HydrophobicContact CB-CG1 4.05Å; L482-V546 HydrophobicContact CD1-CG1 3.97Å; V484-V546 HydrophobicContact CG2-CG2 3.67Å; K542-V546 VanDerWaalsContact O-CG2 3.31Å; K542-V546 WeakPolarHBondContact O-CG2 3.49Å; K542-V546 PolarHBondContact O-N 2.92Å; V546-T548 VanDerWaalsContact C-N 3.28Å; V546-T548 PolarHBondContact O-N 3.48Å; V546-R550 PolarHBondContact O-N 2.85Å; V546-L552 HydrophobicContact CG1-CD2 4.38Å
547S79.3Confident78.8Confident32 Ų3269.6 Ų69.622%0.22437%0.374CS..Hα-helixtrans-70.3-24.5-178-55.50000113.2I476 A543 A544 A545I476-S547 PolarHBondContact N-OG 3.18Å; A543-S547 WeakPolarHBondContact O-CB 3.3Å; A543-S547 PolarHBondContact O-N 3.14Å; A543-S547 PolarHBondContact O-OG 3.45Å; A544-S547 PolarHBondContact O-N 3.15Å; A545-S547 PolarHBondContact O-N 3.36Å
548T80.8Confident79Confident116 Ų11665.8 Ų65.871%0.71236%0.356SS*.Hα-helixtrans-97.4-29.6-178.951.10000113.3A544 A545 V546A544-T548 WeakPolarHBondContact O-CB 3.42Å; A544-T548 WeakPolarHBondContact O-CG2 3.4Å; A544-T548 PolarHBondContact O-N 3.47Å; A544-T548 PolarHBondContact O-OG1 3.05Å; A545-T548 PolarHBondContact O-N 3.48Å; A545-T548 PolarHBondContact O-OG1 3.07Å; V546-T548 VanDerWaalsContact C-N 3.28Å; V546-T548 PolarHBondContact O-N 3.48Å
549S78.8Confident79.2Confident88 Ų8865.8 Ų65.862%0.61536%0.355SS*.Hα-helixtrans-85.2-29.9-176.556.70000114.5A545A545-S549 WeakPolarHBondContact O-CB 3.31Å; A545-S549 PolarHBondContact O-N 3.25Å; A545-S549 PolarHBondContact O-OG 3.36Å
550R78.6Confident79.4Confident93 Ų9364.6 Ų64.635%0.35135%0.351SS..  trans-132143.9-170.1174.6169.6164.8173.5-9.8113.6E485 V546 D556E485-R550 IonicContact OE1-CZ 2.81Å; E485-R550 IonicContact OE1-NH1 2.84Å; E485-R550 PolarHBondContact OE1-NH1 3.45Å; V546-R550 PolarHBondContact O-N 2.85Å; R550-D556 IonicContact CZ-OD2 2.77Å; R550-D556 IonicContact NE-OD2 3.53Å; R550-D556 IonicContact NH2-OD1 2.75Å; R550-D556 IonicContact NH2-OD2 3.86Å; R550-D556 PolarHBondContact NH2-OD2 3.22Å
551V78.2Confident79.3Confident134 Ų13463.1 Ų63.181%0.81234%0.343SS*.PPolyproline II helixtrans-78.9119.5165.1-177.40000109.2
552L81.4Confident79Confident25 Ų2563.3 Ų63.313%0.13133%0.334CS..PPolyproline II helixtrans-77.5133.5-175.4-68.7161.2000112.1I476 L482 V546 D556 F557 I560I476-L552 HydrophobicContact CD1-CD1 3.41Å; I476-L552 VanDerWaalsContact CD1-CD1 3.41Å; L482-L552 HydrophobicContact CD1-CD2 3.22Å; V546-L552 HydrophobicContact CG1-CD2 4.38Å; L552-D556 HydrophobicContact CB-CB 4.38Å; L552-D556 HydrophobicContact CD2-CB 3.8Å; L552-F557 HydrophobicContact CB-CD2 4.28Å; L552-F557 HydrophobicContact CB-CE1 4.32Å; L552-F557 HydrophobicContact CB-CE2 3.63Å; L552-F557 HydrophobicContact CB-CZ 3.66Å; L552-F557 HydrophobicContact CD1-CE1 4.06Å; L552-F557 HydrophobicContact CD1-CZ 4.02Å; L552-I560 HydrophobicContact CD1-CD1 4.48Å; L552-I560 HydrophobicContact CD2-CD1 4.5Å
553T83.9Confident78.8Confident63 Ų6362.1 Ų62.139%0.38733%0.334SS..PPolyproline II helixtrans-85.7166.517668.10000111.6E555 D556 F557T553-E555 PolarHBondContact O-N 3.43Å; T553-D556 WeakPolarHBondContact CB-OD2 3.39Å; T553-D556 PolarHBondContact N-OD2 3.08Å; T553-D556 WeakPolarHBondContact O-CB 3.28Å; T553-D556 PolarHBondContact O-N 3.33Å; T553-D556 VanDerWaalsContact O-N 3.09Å; T553-D556 PolarHBondContact OG1-N 3.16Å; T553-D556 PolarHBondContact OG1-OD2 2.88Å; T553-F557 WeakPolarHBondContact O-CD2 3.42Å; T553-F557 PolarHBondContact O-N 3.03Å; T553-F557 VanDerWaalsContact O-N 3.11Å
554Q78.9Confident78.6Confident126 Ų12665.4 Ų65.459%0.58935%0.349SS*.Hα-helixtrans-59.8-32.7177.7-173.467.6-6.300112.6F557 Q558Q554-F557 PolarHBondContact O-N 2.97Å; Q554-Q558 PolarHBondContact O-N 3.4Å; Q554-Q558 VanDerWaalsContact O-N 3.08Å
555E78.6Confident78.1Confident129 Ų12965.2 Ų65.260%0.60334%0.344SS*.Hα-helixtrans-67.9-39.2175.2-62.8-175-178.900111.8T553 Q558 K559T553-E555 PolarHBondContact O-N 3.43Å; E555-Q558 WeakPolarHBondContact O-CA 3.25Å; E555-Q558 WeakPolarHBondContact O-CB 3.24Å; E555-Q558 PolarHBondContact O-N 3.41Å; E555-Q558 VanDerWaalsContact O-N 3.08Å; E555-K559 WeakPolarHBondContact O-CG 3.35Å; E555-K559 PolarHBondContact O-N 2.92Å
556D80.8Confident77.6Confident8 Ų866.6 Ų66.64%0.04334%0.34CS..Hα-helixtrans-63.3-43.7176-60.8-40.2000110.9L482 R550 L552 T553 Q558 K559 I560L482-D556 HydrophobicContact CD1-CB 3.91Å; L482-D556 HydrophobicContact CD2-CB 4.11Å; R550-D556 IonicContact CZ-OD2 2.77Å; R550-D556 IonicContact NE-OD2 3.53Å; R550-D556 IonicContact NH2-OD1 2.75Å; R550-D556 IonicContact NH2-OD2 3.86Å; R550-D556 PolarHBondContact NH2-OD2 3.22Å; L552-D556 HydrophobicContact CB-CB 4.38Å; L552-D556 HydrophobicContact CD2-CB 3.8Å; T553-D556 WeakPolarHBondContact CB-OD2 3.39Å; T553-D556 PolarHBondContact N-OD2 3.08Å; T553-D556 WeakPolarHBondContact O-CB 3.28Å; T553-D556 PolarHBondContact O-N 3.33Å; T553-D556 VanDerWaalsContact O-N 3.09Å; T553-D556 PolarHBondContact OG1-N 3.16Å; T553-D556 PolarHBondContact OG1-OD2 2.88Å; D556-Q558 PolarHBondContact O-N 2.96Å; D556-K559 PolarHBondContact O-N 3.33Å; D556-I560 VanDerWaalsContact O-CG1 3.27Å; D556-I560 WeakPolarHBondContact O-CG1 3.46Å; D556-I560 PolarHBondContact O-N 3.27Å
557F78.4Confident77.2Confident70 Ų7068.8 Ų68.831%0.30735%0.35SS..Hα-helixtrans-62.9-29.1172.7-72.9-65.8000113I476 L552 T553 Q554 R561I476-F557 HydrophobicContact CD1-CE1 4.25Å; L552-F557 HydrophobicContact CB-CD2 4.28Å; L552-F557 HydrophobicContact CB-CE1 4.32Å; L552-F557 HydrophobicContact CB-CE2 3.63Å; L552-F557 HydrophobicContact CB-CZ 3.66Å; L552-F557 HydrophobicContact CD1-CE1 4.06Å; L552-F557 HydrophobicContact CD1-CZ 4.02Å; T553-F557 WeakPolarHBondContact O-CD2 3.42Å; T553-F557 PolarHBondContact O-N 3.03Å; T553-F557 VanDerWaalsContact O-N 3.11Å; Q554-F557 PolarHBondContact O-N 2.97Å; F557-R561 WeakPolarHBondContact O-CB 3.23Å; F557-R561 VanDerWaalsContact O-CG 3.26Å; F557-R561 WeakPolarHBondContact O-CG 3.38Å; F557-R561 PolarHBondContact O-N 3.45Å; F557-R561 VanDerWaalsContact O-N 3.07Å; F557-R561 PolarHBondContact O-NE 2.92Å
558Q75.8Confident76.7Confident86 Ų8670.5 Ų70.540%0.40235%0.354SS..Hα-helixtrans-73.7-42.5175.2-159.117827.500111.1Q554 E555 D556 R561 M562Q554-Q558 PolarHBondContact O-N 3.4Å; Q554-Q558 VanDerWaalsContact O-N 3.08Å; E555-Q558 WeakPolarHBondContact O-CA 3.25Å; E555-Q558 WeakPolarHBondContact O-CB 3.24Å; E555-Q558 PolarHBondContact O-N 3.41Å; E555-Q558 VanDerWaalsContact O-N 3.08Å; D556-Q558 PolarHBondContact O-N 2.96Å; Q558-R561 PolarHBondContact O-N 3.48Å; Q558-M562 WeakPolarHBondContact O-CB 3.48Å; Q558-M562 VanDerWaalsContact O-CG 3.27Å; Q558-M562 WeakPolarHBondContact O-CG 3.49Å; Q558-M562 PolarHBondContact O-N 3.26Å
559K78Confident76.1Confident105 Ų10567.2 Ų67.246%0.45733%0.332SS..Hα-helixtrans-61.2-45.8173.9-70.9174.5-174.81710111.6L482 E555 D556 R561 M562 A563L482-K559 HydrophobicContact CD2-CB 4.29Å; L482-K559 HydrophobicContact CD2-CD 4.28Å; E555-K559 WeakPolarHBondContact O-CG 3.35Å; E555-K559 PolarHBondContact O-N 2.92Å; D556-K559 PolarHBondContact O-N 3.33Å; K559-R561 PolarHBondContact O-N 2.82Å; K559-M562 PolarHBondContact O-N 3.05Å; K559-A563 PolarHBondContact O-N 3.49Å
560I79.8Confident75.5Confident6 Ų669.8 Ų69.83%0.03134%0.339CS..Hα-helixtrans-57.3-49174.1-68.2167.8000110.3A479 L482 L552 D556 M562 A563 Q564A479-I560 HydrophobicContact CB-CD1 4.44Å; L482-I560 HydrophobicContact CD1-CD1 3.83Å; L482-I560 HydrophobicContact CD1-CG1 4.13Å; L482-I560 HydrophobicContact CG-CG1 4.33Å; L552-I560 HydrophobicContact CD1-CD1 4.48Å; L552-I560 HydrophobicContact CD2-CD1 4.5Å; D556-I560 VanDerWaalsContact O-CG1 3.27Å; D556-I560 WeakPolarHBondContact O-CG1 3.46Å; D556-I560 PolarHBondContact O-N 3.27Å; I560-M562 VanDerWaalsContact C-N 3.35Å; I560-M562 PolarHBondContact O-N 3.02Å; I560-A563 PolarHBondContact O-N 3.31Å; I560-Q564 HydrophobicContact CG2-CG 4.46Å; I560-Q564 WeakPolarHBondContact O-CG 3.35Å; I560-Q564 PolarHBondContact O-N 3.37Å
561R74.9Confident74.6Confident62 Ų6267 Ų6723%0.23434%0.335CS..Hα-helixtrans-59.4-43.6177.6-83.5-176.8-102.6179-14.7112.3D238 F557 Q558 K559 Q564 M565D238-R561 IonicContact OD2-NH1 2.72Å; F557-R561 WeakPolarHBondContact O-CB 3.23Å; F557-R561 VanDerWaalsContact O-CG 3.26Å; F557-R561 WeakPolarHBondContact O-CG 3.38Å; F557-R561 PolarHBondContact O-N 3.45Å; F557-R561 VanDerWaalsContact O-N 3.07Å; F557-R561 PolarHBondContact O-NE 2.92Å; Q558-R561 PolarHBondContact O-N 3.48Å; K559-R561 PolarHBondContact O-N 2.82Å; R561-Q564 PolarHBondContact O-N 3.12Å; R561-M565 WeakPolarHBondContact O-CB 3.5Å; R561-M565 VanDerWaalsContact O-CG 3.3Å; R561-M565 WeakPolarHBondContact O-CG 3.44Å; R561-M565 PolarHBondContact O-N 3.32Å
562M71.9Confident73.5Confident64 Ų6462.2 Ų62.232%0.31531%0.31SS..Hα-helixtrans-65.2-40.1179.6-74.5-64.8-76.400112P241 Q558 K559 I560 M565 R566P241-M562 HydrophobicContact CG-CE 4.11Å; P241-M562 HydrophobicContact CG-SD 3.72Å; Q558-M562 WeakPolarHBondContact O-CB 3.48Å; Q558-M562 VanDerWaalsContact O-CG 3.27Å; Q558-M562 WeakPolarHBondContact O-CG 3.49Å; Q558-M562 PolarHBondContact O-N 3.26Å; K559-M562 PolarHBondContact O-N 3.05Å; I560-M562 VanDerWaalsContact C-N 3.35Å; I560-M562 PolarHBondContact O-N 3.02Å; M562-M565 WeakPolarHBondContact O-CB 3.45Å; M562-M565 PolarHBondContact O-N 2.82Å; M562-R566 WeakPolarHBondContact O-CG 3.32Å; M562-R566 PolarHBondContact O-N 3.21Å
563A75.9Confident72.2Confident26 Ų2664.8 Ų64.822%0.21533%0.329CS..Hα-helixtrans-69.4-41.9176.800000112.5V481 K559 I560 M565 R566 K567V481-A563 HydrophobicContact CB-CB 4.23Å; V481-A563 HydrophobicContact CG1-CB 3.96Å; V481-A563 HydrophobicContact CG2-CB 3.57Å; K559-A563 PolarHBondContact O-N 3.49Å; I560-A563 PolarHBondContact O-N 3.31Å; A563-M565 VanDerWaalsContact C-N 3.31Å; A563-M565 PolarHBondContact O-N 3.33Å; A563-R566 PolarHBondContact O-N 3.26Å; A563-K567 WeakPolarHBondContact O-CB 3.32Å; A563-K567 PolarHBondContact O-N 3.46Å
564Q74.7Confident70.6Confident68 Ų6863.9 Ų63.932%0.31833%0.332SS..Hα-helixtrans-60.2-41.8172-71.7-179.1-2.300111.7P477 I560 R561 R566 K567 E568P477-Q564 PolarHBondContact O-NE2 2.95Å; I560-Q564 HydrophobicContact CG2-CG 4.46Å; I560-Q564 WeakPolarHBondContact O-CG 3.35Å; I560-Q564 PolarHBondContact O-N 3.37Å; R561-Q564 PolarHBondContact O-N 3.12Å; Q564-R566 PolarHBondContact O-N 3.18Å; Q564-K567 PolarHBondContact O-N 2.7Å; Q564-E568 WeakPolarHBondContact O-CG 3.5Å; Q564-E568 PolarHBondContact O-N 3.23Å
565M69.8Low68.8Low24 Ų2463.2 Ų63.212%0.11833%0.327CS..Hα-helixtrans-59.6-44.3174.2-84.4-70.5-75.300112.3V269 L270 Q273 R561 M562 A563 E568 L569V269-M565 HydrophobicContact CB-CE 4.3Å; V269-M565 HydrophobicContact CB-SD 4.49Å; V269-M565 HydrophobicContact CG1-CE 3.91Å; V269-M565 HydrophobicContact CG1-SD 3.53Å; V269-M565 VanDerWaalsContact CG1-SD 3.53Å; L270-M565 HydrophobicContact CB-CE 4.25Å; L270-M565 HydrophobicContact CD1-CE 4.09Å; Q273-M565 HydrophobicContact CB-SD 4.42Å; Q273-M565 HydrophobicContact CG-SD 3.67Å; Q273-M565 PolarHBondContact NE2-SD 3Å; Q273-M565 VanDerWaalsContact OE1-CG 3.31Å; Q273-M565 PolarHBondContact OE1-SD 3.36Å; R561-M565 WeakPolarHBondContact O-CB 3.5Å; R561-M565 VanDerWaalsContact O-CG 3.3Å; R561-M565 WeakPolarHBondContact O-CG 3.44Å; R561-M565 PolarHBondContact O-N 3.32Å; M562-M565 WeakPolarHBondContact O-CB 3.45Å; M562-M565 PolarHBondContact O-N 2.82Å; A563-M565 VanDerWaalsContact C-N 3.31Å; A563-M565 PolarHBondContact O-N 3.33Å; M565-E568 PolarHBondContact O-N 2.82Å; M565-L569 WeakPolarHBondContact O-CB 3.25Å; M565-L569 WeakPolarHBondContact O-CD1 3.23Å; M565-L569 VanDerWaalsContact O-CG 3.25Å; M565-L569 WeakPolarHBondContact O-CG 3.48Å; M565-L569 PolarHBondContact O-N 2.89Å
566R70.4Confident67Low70 Ų7062 Ų6226%0.26433%0.332SS..Hα-helixtrans-63.7-45.1176.1-73.7176.1-173.8-128.50.4111.4D521 Q524 M562 A563 Q564 E568 L569 D570D521-R566 IonicContact OD1-CZ 3.81Å; D521-R566 IonicContact OD1-NH1 3.76Å; D521-R566 PolarHBondContact OD1-NH1 3.41Å; D521-R566 IonicContact OD1-NH2 3.59Å; D521-R566 PolarHBondContact OD1-NH2 3.25Å; Q524-R566 VanDerWaalsContact OE1-CZ 3.3Å; M562-R566 WeakPolarHBondContact O-CG 3.32Å; M562-R566 PolarHBondContact O-N 3.21Å; A563-R566 PolarHBondContact O-N 3.26Å; Q564-R566 PolarHBondContact O-N 3.18Å; R566-E568 VanDerWaalsContact C-N 3.33Å; R566-E568 PolarHBondContact O-N 3.3Å; R566-L569 WeakPolarHBondContact O-CA 3.4Å; R566-L569 WeakPolarHBondContact O-CB 3.46Å; R566-L569 PolarHBondContact O-N 2.74Å; R566-D570 PolarHBondContact O-N 3.21Å
567K73.4Confident65.4Low50 Ų5066.5 Ų66.522%0.21735%0.353CS..Hα-helixtrans-56.9-44.7175.4-165.2179.6-167.7178.80111.8E457 E461 A563 Q564 L569 A571E457-K567 WeakPolarHBondContact OE2-CE 3.42Å; E461-K567 IonicContact OE1-NZ 3.47Å; E461-K567 PolarHBondContact OE1-NZ 2.92Å; E461-K567 IonicContact OE2-NZ 2.67Å; E461-K567 PolarHBondContact OE2-NZ 2.88Å; A563-K567 WeakPolarHBondContact O-CB 3.32Å; A563-K567 PolarHBondContact O-N 3.46Å; Q564-K567 PolarHBondContact O-N 2.7Å; K567-L569 VanDerWaalsContact C-N 3.34Å; K567-L569 PolarHBondContact O-N 3.42Å; K567-A571 VanDerWaalsContact O-CB 3.28Å; K567-A571 WeakPolarHBondContact O-CB 3.48Å; K567-A571 PolarHBondContact O-N 3.27Å; K567-A571 VanDerWaalsContact O-N 3.1Å
568E68.4Low63.8Low67 Ų6769.2 Ų69.231%0.31337%0.365SS..Hα-helixtrans-66.2-32.1175-73.5-172.8156.400112.9V269 Q273 K276 Q564 M565 R566V269-E568 HydrophobicContact CG1-CB 3.89Å; V269-E568 VanDerWaalsContact CG1-OE2 3.31Å; V269-E568 WeakPolarHBondContact CG1-OE2 3.26Å; Q273-E568 PolarHBondContact NE2-OE2 2.86Å; K276-E568 IonicContact NZ-OE1 2.88Å; K276-E568 PolarHBondContact NZ-OE1 3.15Å; K276-E568 VanDerWaalsContact NZ-OE1 3.08Å; Q564-E568 WeakPolarHBondContact O-CG 3.5Å; Q564-E568 PolarHBondContact O-N 3.23Å; M565-E568 PolarHBondContact O-N 2.82Å; R566-E568 VanDerWaalsContact C-N 3.33Å; R566-E568 PolarHBondContact O-N 3.3Å
569L67.4Low62.2Low47 Ų4776.8 Ų76.825%0.24639%0.39CS..Hα-helixtrans-73.4-41.6178.2-78.8163.1000113K265 A266 V269 M565 R566 K567 A572K265-L569 HydrophobicContact CB-CD2 4.48Å; A266-L569 HydrophobicContact CB-CD2 4.3Å; V269-L569 HydrophobicContact CB-CD2 4.14Å; V269-L569 HydrophobicContact CB-CG 4.39Å; V269-L569 HydrophobicContact CG2-CD2 3.61Å; V269-L569 HydrophobicContact CG2-CG 4.07Å; M565-L569 WeakPolarHBondContact O-CB 3.25Å; M565-L569 WeakPolarHBondContact O-CD1 3.23Å; M565-L569 VanDerWaalsContact O-CG 3.25Å; M565-L569 WeakPolarHBondContact O-CG 3.48Å; M565-L569 PolarHBondContact O-N 2.89Å; R566-L569 WeakPolarHBondContact O-CA 3.4Å; R566-L569 WeakPolarHBondContact O-CB 3.46Å; R566-L569 PolarHBondContact O-N 2.74Å; K567-L569 VanDerWaalsContact C-N 3.34Å; K567-L569 PolarHBondContact O-N 3.42Å; L569-A572 WeakPolarHBondContact O-CB 3.3Å; L569-A572 PolarHBondContact O-N 2.83Å
570D66.1Low60.3Low142 Ų14280.7 Ų80.776%0.75941%0.407SS*.Hα-helixtrans-74.8-29.4179.5-73.1-28.5000112.2R566 A572R566-D570 PolarHBondContact O-N 3.21Å; D570-A572 PolarHBondContact O-N 3.37Å
571A59.3Low58.3Low34 Ų3484.6 Ų84.628%0.28142%0.422SS..THydrogen-bonded Turntrans-59.5-21.9169.700000114.3T456 K567T456-A571 VanDerWaalsContact CG2-CA 3.45Å; T456-A571 HydrophobicContact CG2-CB 3.4Å; K567-A571 VanDerWaalsContact O-CB 3.28Å; K567-A571 WeakPolarHBondContact O-CB 3.48Å; K567-A571 PolarHBondContact O-N 3.27Å; K567-A571 VanDerWaalsContact O-N 3.1Å
572A56.4Low56.5Low34 Ų3485.3 Ų85.328%0.28143%0.429SS..SBendtrans-84.5125.8-174.200000112.7K265 L569 D570K265-A572 PolarHBondContact NZ-O 3.03Å; L569-A572 WeakPolarHBondContact O-CB 3.3Å; L569-A572 PolarHBondContact O-N 2.83Å; D570-A572 PolarHBondContact O-N 3.37Å
573P53.3Low54.8Low80 Ų8091.1 Ų91.152%0.51946%0.456SS..PPolyproline II helixtrans-54.5139.8-164.616.6-30.1000115.2K265K265-P573 PolarHBondContact NZ-O 3.43Å
574G50.8Low53.1Low44 Ų4491.9 Ų91.945%0.45446%0.456SS..PPolyproline II helixtrans-71.8168.2-17900000115.2S576G574-S576 VanDerWaalsContact C-N 3.32Å; G574-S576 PolarHBondContact O-N 3.29Å; G574-S576 VanDerWaalsContact O-N 3.1Å
575K40.8Very low51.3Low112 Ų11293.3 Ų93.349%0.48747%0.466SS..THydrogen-bonded Turntrans-59.2-21.4-165.3-109.6-177.6176.1-154.30117.6K258K258-K575 VanDerWaalsContact CB-NZ 3.29Å; K258-K575 HydrophobicContact CD-CD 4.47Å
576S41.3Very low49.9Very low102 Ų10295.2 Ų95.271%0.71348%0.481SS*.THydrogen-bonded Turntrans-82.2-26.4-172.672.20000114G574G574-S576 VanDerWaalsContact C-N 3.32Å; G574-S576 PolarHBondContact O-N 3.29Å; G574-S576 VanDerWaalsContact O-N 3.1Å
577Q46.2Very low48.4Very low103 Ų10397.8 Ų97.848%0.48150%0.5SS..G310 helixtrans-87.1-15.6-174.6-80.7178.1-38.500114.7R579 K580Q577-R579 VanDerWaalsContact C-N 3.25Å; Q577-R579 PolarHBondContact O-N 3.47Å; Q577-K580 PolarHBondContact O-N 3.36Å
578K46.3Very low47Very low128 Ų128101.3 Ų101.356%0.55752%0.517SS*.G310 helixtrans-71.8-9.3-179.2-75.3-165.1177-168.10115K580K578-K580 PolarHBondContact O-N 2.86Å
579R40.6Very low45.7Very low245 Ų245104.4 Ų104.493%0.92553%0.532SS*.G310 helixtrans-71.8-11.7173.8-74.6-174.1-173170.42.7113.6Q577Q577-R579 VanDerWaalsContact C-N 3.25Å; Q577-R579 PolarHBondContact O-N 3.47Å
580K38.2Very low44.6Very low186 Ų186107.1 Ų107.181%0.80955%0.552SS**THydrogen-bonded Turntrans-117.4-12.6172-76.3-175.5177.5-179.80114.5Q577 K578 I582Q577-K580 PolarHBondContact O-N 3.36Å; K578-K580 PolarHBondContact O-N 2.86Å; K580-I582 PolarHBondContact O-N 3.1Å
581Y37.8Very low44Very low89 Ų89108.9 Ų108.935%0.34955%0.548SS..  trans-82.1101.3171.7-113.8-102.8000108.3E583 I584Y581-E583 PolarHBondContact O-N 3.14Å; Y581-I584 HydrophobicContact CD1-CD1 4.17Å; Y581-I584 HydrophobicContact CD1-CG1 4.42Å; Y581-I584 HydrophobicContact CE1-CD1 3.61Å; Y581-I584 HydrophobicContact CE1-CG1 4.34Å
582I37Very low43.6Very low76 Ų76109.2 Ų109.239%0.3956%0.555SS.*  trans-49.7128.2158.6-61.1175.3000105.4K426 K580 I584K426-I582 HydrophobicContact CD-CD1 4.37Å; K426-I582 VanDerWaalsContact CE-CD1 3.42Å; K580-I582 PolarHBondContact O-N 3.1Å; I582-I584 VanDerWaalsContact C-N 3.29Å; I582-I584 PolarHBondContact O-N 3.41Å
583E37.6Very low43.8Very low187 Ų187112.9 Ų112.987%0.87457%0.566SS**  trans-48.8100.6172.7-78.2173.5154.400107.3Y581 D585Y581-E583 PolarHBondContact O-N 3.14Å; E583-D585 PolarHBondContact O-N 3.07Å
584I40.3Very low44.5Very low42 Ų42111.7 Ų111.722%0.21556%0.555CS.*  trans-65.7104.1162-62.4176.9000101.3M430 Y581 I582 S586M430-I584 HydrophobicContact CE-CD1 4.28Å; M430-I584 HydrophobicContact CE-CG1 3.59Å; Y581-I584 HydrophobicContact CD1-CD1 4.17Å; Y581-I584 HydrophobicContact CD1-CG1 4.42Å; Y581-I584 HydrophobicContact CE1-CD1 3.61Å; Y581-I584 HydrophobicContact CE1-CG1 4.34Å; I582-I584 VanDerWaalsContact C-N 3.29Å; I582-I584 PolarHBondContact O-N 3.41Å; I584-S586 VanDerWaalsContact C-N 3.34Å; I584-S586 PolarHBondContact O-N 2.9Å
585D35.8Very low45.4Very low98 Ų98110.2 Ų110.252%0.52454%0.537SS..  trans-50.9105.5177.9-148.60.6000106.7E583 D587 R602E583-D585 PolarHBondContact O-N 3.07Å; D585-D587 PolarHBondContact O-N 3.06Å; D585-R602 PolarHBondContact O-NH2 2.98Å
586S39.9Very low47.1Very low63 Ų63107.1 Ų107.144%0.44153%0.53SS..  trans-82.618.5-173.665.70000111.1K268 I584 E588K268-S586 PolarHBondContact NZ-OG 3.18Å; K268-S586 VanDerWaalsContact NZ-OG 3.07Å; I584-S586 VanDerWaalsContact C-N 3.34Å; I584-S586 PolarHBondContact O-N 2.9Å; S586-E588 PolarHBondContact O-N 3.37Å
587D39.2Very low49Very low125 Ų125104.9 Ų104.967%0.66851%0.51SS*.  trans-72.950.2158.7-65.9-11.5000108.3D585 E589D585-D587 PolarHBondContact O-N 3.06Å; D587-E589 PolarHBondContact O-N 3.19Å
588E44.4Very low50.6Low124 Ų124107.2 Ų107.258%0.57951%0.514SS*.  trans-65.8101.1151.9-76.8179.7171.200103.9S586S586-E588 PolarHBondContact O-N 3.37Å
589E41.3Very low52.1Low132 Ų132104 Ų10462%0.61750%0.503SS*.  trans-44.6146.9158.6-75.9-178.8166.300108.1D587 R591 R598D587-E589 PolarHBondContact O-N 3.19Å; E589-R591 PolarHBondContact O-N 2.7Å; E589-R598 IonicContact OE1-NH1 3.73Å
590P44.7Very low54.2Low104 Ų10492.3 Ų92.368%0.67546%0.459SS*.  trans-48139176.422.8-32.8000108.8G592P590-G592 PolarHBondContact O-N 3.43Å
591R53.2Low56.3Low178 Ų17887.7 Ų87.767%0.67244%0.44SS*.  trans-60.395.5164.8-70.7-173.8-169.1-172.42.6105.1E589E589-R591 PolarHBondContact O-N 2.7Å
592G51.7Low58.1Low42 Ų4286.9 Ų86.943%0.43344%0.436SS..  trans-59.3159.916700000108.4P590 L594P590-G592 PolarHBondContact O-N 3.43Å; G592-L594 PolarHBondContact O-N 3.35Å
593E59.8Low59.8Low110 Ų11086 Ų8651%0.51443%0.432SS..SBendtrans-47.3-32172.2-174.8177.7-154.900111.7H288 I327H288-E593 IonicContact CE1-OE1 3.7Å; H288-E593 PolarHBondContact CE1-OE1 3.41Å; H288-E593 IonicContact NE2-OE1 3.11Å; H288-E593 PolarHBondContact NE2-OE1 2.98Å; H288-E593 IonicContact NE2-OE2 3.81Å; H288-E593 PolarHBondContact NE2-OE2 3.49Å; I327-E593 HydrophobicContact CD1-CG 4.36Å; I327-E593 HydrophobicContact CG1-CG 3.94Å; I327-E593 WeakPolarHBondContact CG2-OE1 3.46Å
594L66.9Low61.2Low55 Ų5579.1 Ų79.129%0.28840%0.4SS..SBendtrans-109.9139176.4-61.1178000112.6R323 I327 G592R323-L594 HydrophobicContact CB-CD2 4.09Å; R323-L594 HydrophobicContact CG-CD1 4.3Å; R323-L594 HydrophobicContact CG-CD2 3.72Å; I327-L594 HydrophobicContact CD1-CD2 4Å; I327-L594 HydrophobicContact CG1-CD2 4.31Å; G592-L594 PolarHBondContact O-N 3.35Å
595L71Confident62.5Low14 Ų1482.6 Ų82.67%0.07341%0.413CS..  trans-67145.5170.1-67.9177.7000112L355 A358 Q359 E400 R404L355-L595 HydrophobicContact CD1-CB 3.37Å; L355-L595 HydrophobicContact CD1-CD1 4.08Å; L355-L595 HydrophobicContact CD1-CG 4.38Å; L355-L595 HydrophobicContact CG-CB 4.32Å; A358-L595 HydrophobicContact CB-CD1 3.36Å; Q359-L595 HydrophobicContact CG-CB 3.79Å; Q359-L595 HydrophobicContact CG-CD1 3.96Å; Q359-L595 HydrophobicContact CG-CG 4.01Å; Q359-L595 PolarHBondContact NE2-O 2.82Å; E400-L595 HydrophobicContact CB-CD1 4.22Å; R404-L595 VanDerWaalsContact NH1-CD1 3.34Å
596S75.6Confident63.8Low47 Ų4786.9 Ų86.933%0.32943%0.427SS..  trans-97.1150.7171.7-1730000111.6L355 R598 D599L355-S596 WeakPolarHBondContact CD1-O 3Å; S596-R598 PolarHBondContact O-N 3.43Å; S596-R598 VanDerWaalsContact O-N 3.13Å; S596-R598 PolarHBondContact OG-N 3.15Å; S596-D599 PolarHBondContact N-OD2 3.12Å; S596-D599 VanDerWaalsContact N-OD2 3.15Å; S596-D599 WeakPolarHBondContact O-CB 3.27Å; S596-D599 PolarHBondContact O-N 3.48Å
597L81.4Confident64.9Low55 Ų5588.2 Ų88.229%0.28843%0.434SS..Hα-helixtrans-57.3-28.2171.5-72.4172000112.3K352 L355 D599 I600 E601K352-L597 HydrophobicContact CB-CD2 4.17Å; K352-L597 HydrophobicContact CG-CD1 4.11Å; K352-L597 HydrophobicContact CG-CD2 3.7Å; L355-L597 HydrophobicContact CB-CD2 3.99Å; L355-L597 HydrophobicContact CD2-CD2 3.54Å; L355-L597 HydrophobicContact CD2-CG 3.8Å; L355-L597 HydrophobicContact CG-CD2 4.3Å; L597-D599 PolarHBondContact O-N 3.46Å; L597-I600 PolarHBondContact O-N 2.97Å; L597-E601 PolarHBondContact O-N 3.4Å
598R79.6Confident66.1Low152 Ų15291.8 Ų91.857%0.57444%0.444SS*.Hα-helixtrans-60.4-31.9177.1-65.8-178.4-176.8164.85.4112.3E589 S596 I600 R602E589-R598 IonicContact OE1-NH1 3.73Å; S596-R598 PolarHBondContact O-N 3.43Å; S596-R598 VanDerWaalsContact O-N 3.13Å; S596-R598 PolarHBondContact OG-N 3.15Å; R598-I600 VanDerWaalsContact C-N 3.26Å; R598-I600 PolarHBondContact O-N 3.29Å; R598-R602 WeakPolarHBondContact O-CA 3.26Å; R598-R602 VanDerWaalsContact O-CB 3.26Å; R598-R602 WeakPolarHBondContact O-CB 3.49Å; R598-R602 PolarHBondContact O-N 3.1Å; R598-R602 VanDerWaalsContact O-N 3.07Å
599D78.5Confident67.4Low60 Ų6089.2 Ų89.232%0.32144%0.44SS..Hα-helixtrans-69-29-177.9-61.8-43.1000112E400 S596 L597E400-D599 HydrophobicContact CG-CB 4.45Å; S596-D599 PolarHBondContact N-OD2 3.12Å; S596-D599 VanDerWaalsContact N-OD2 3.15Å; S596-D599 WeakPolarHBondContact O-CB 3.27Å; S596-D599 PolarHBondContact O-N 3.48Å; L597-D599 PolarHBondContact O-N 3.46Å
600I83.6Confident69.2Low0 Ų088.5 Ų88.50%044%0.44CS..Hα-helixtrans-89.1-47.6179-65.2-175.1000111L354 L355 V393 N396 L597 R598 R602L354-I600 HydrophobicContact CB-CD1 4.14Å; L354-I600 HydrophobicContact CB-CG2 4.45Å; L355-I600 HydrophobicContact CB-CD1 3.7Å; L355-I600 HydrophobicContact CD1-CD1 3.66Å; L355-I600 HydrophobicContact CD1-CG1 4.22Å; L355-I600 HydrophobicContact CG-CD1 4.32Å; V393-I600 HydrophobicContact CG1-CG2 3.82Å; N396-I600 PolarHBondContact ND2-O 2.84Å; L597-I600 PolarHBondContact O-N 2.97Å; R598-I600 VanDerWaalsContact C-N 3.26Å; R598-I600 PolarHBondContact O-N 3.29Å; I600-R602 PolarHBondContact O-N 2.87Å
601E82.9Confident70.8Confident89 Ų8991.4 Ų91.442%0.41644%0.442SS..Hα-helixtrans-79.70.4-176.3-65.2-177.7173.700113.7T351 L597 L603T351-E601 WeakPolarHBondContact CB-OE1 3.46Å; T351-E601 HydrophobicContact CG2-CG 3.82Å; T351-E601 PolarHBondContact OG1-OE1 3.29Å; L597-E601 PolarHBondContact O-N 3.4Å; E601-L603 PolarHBondContact O-N 3.26Å
602R75.8Confident72.1Confident72 Ų7290.5 Ų90.527%0.27245%0.446SS..  trans-56.9101.4-175.1-163.7174-179.2-176.10.7112.3N396 D585 R598 I600N396-R602 PolarHBondContact ND2-O 3.11Å; D585-R602 PolarHBondContact O-NH2 2.98Å; R598-R602 WeakPolarHBondContact O-CA 3.26Å; R598-R602 VanDerWaalsContact O-CB 3.26Å; R598-R602 WeakPolarHBondContact O-CB 3.49Å; R598-R602 PolarHBondContact O-N 3.1Å; R598-R602 VanDerWaalsContact O-N 3.07Å; I600-R602 PolarHBondContact O-N 2.87Å
603L72.4Confident73.5Confident57 Ų5791.6 Ų91.630%0.29844%0.444SS..  trans-87.7114.4168.9-60.4179.9000109.9E389 T392 E601 K605 P607E389-L603 HydrophobicContact CB-CD2 4.44Å; E389-L603 HydrophobicContact CG-CD1 4.42Å; E389-L603 HydrophobicContact CG-CD2 4.22Å; T392-L603 HydrophobicContact CG2-CD2 4.18Å; E601-L603 PolarHBondContact O-N 3.26Å; L603-K605 VanDerWaalsContact C-N 3.3Å; L603-K605 PolarHBondContact O-N 2.83Å; L603-P607 HydrophobicContact CD1-CG 4.42Å
604H66.8Low74.4Confident43 Ų4394 Ų9420%0.19945%0.448CS..SBendtrans-70.2-23-179.3-73.4-76.1000114.4N427 M430N427-H604 PolarHBondContact OD1-N 3.13Å; N427-H604 VanDerWaalsContact OD1-N 3.17Å; M430-H604 HydrophobicContact CB-CB 3.82Å; M430-H604 WeakPolarHBondContact CB-CD2 3.33Å; M430-H604 VanDerWaalsContact CB-CG 3.49Å; M430-H604 HydrophobicContact CG-CB 3.96Å
605K67.9Low75Confident114 Ų11496.2 Ų96.250%0.49646%0.46SS..SBendtrans-109.3115.2174.9-175-175.7175.8-172.60106.9K426 N427 L603K426-K605 HydrophobicContact CB-CB 4.48Å; K426-K605 HydrophobicContact CB-CD 4.26Å; K426-K605 HydrophobicContact CD-CB 4.34Å; N427-K605 WeakPolarHBondContact OD1-CA 3.35Å; N427-K605 WeakPolarHBondContact OD1-CB 3.45Å; N427-K605 PolarHBondContact OD1-N 3.37Å; L603-K605 VanDerWaalsContact C-N 3.3Å; L603-K605 PolarHBondContact O-N 2.83Å
606K62.7Low75.4Confident189 Ų18998.3 Ų98.382%0.82248%0.48SS*.PPolyproline II helixtrans-56132173.2-66.1-172.6177.7-174.10109.4
607P62.5Low75.6Confident91 Ų91100.9 Ų100.959%0.59149%0.493SS*.PPolyproline II helixtrans-53.1152.8171-24.233.2000110.8L603 S609L603-P607 HydrophobicContact CD1-CG 4.42Å; P607-S609 PolarHBondContact O-N 2.88Å; P607-S609 VanDerWaalsContact O-N 3.15Å
608K65.6Low75.4Confident199 Ų199100.6 Ų100.687%0.86550%0.499SS*.PPolyproline II helixtrans-65.1118.9172.4-71.5-178.8-178.4174.80107.4
609S70.4Confident75.1Confident70 Ų7098.9 Ų98.949%0.4950%0.499SS..PPolyproline II helixtrans-6313217753.10000111.1P607 T613 R614P607-S609 PolarHBondContact O-N 2.88Å; P607-S609 VanDerWaalsContact O-N 3.15Å; S609-T613 WeakPolarHBondContact CB-OG1 3.47Å; S609-R614 WeakPolarHBondContact O-CD 3.45Å; S609-R614 WeakPolarHBondContact OG-CD 3.43Å; S609-R614 WeakPolarHBondContact OG-CG 3.37Å
610D79.5Confident75Confident118 Ų11898.9 Ų98.963%0.63151%0.507SS*.PPolyproline II helixtrans-55.6159.3171.9-63-43.8000112.8E612 T613 R614D610-E612 PolarHBondContact O-N 3.39Å; D610-T613 PolarHBondContact N-OG1 3.24Å; D610-T613 VanDerWaalsContact N-OG1 3.12Å; D610-T613 PolarHBondContact O-N 2.92Å; D610-T613 PolarHBondContact O-OG1 3.49Å; D610-R614 WeakPolarHBondContact O-CB 3.44Å; D610-R614 VanDerWaalsContact O-CG 3.31Å; D610-R614 WeakPolarHBondContact O-CG 3.35Å; D610-R614 PolarHBondContact O-N 3.36Å
611K79.5Confident74.2Confident164 Ų164100.3 Ų100.371%0.71352%0.522SS*.Hα-helixtrans-57-37.5179.5-173.4-179.5175.4-173.90111.7L615K611-L615 HydrophobicContact CG-CD1 4.26Å; K611-L615 WeakPolarHBondContact O-CB 3.35Å; K611-L615 WeakPolarHBondContact O-CG 3.38Å; K611-L615 PolarHBondContact O-N 2.93Å
612E79.8Confident73.4Confident160 Ų160102.9 Ų102.975%0.74853%0.532SS*.Hα-helixtrans-68.4-48.2179.3-170.1174.1-173.700112.4D610 R614 L615 A616D610-E612 PolarHBondContact O-N 3.39Å; E612-R614 VanDerWaalsContact C-N 3.29Å; E612-R614 PolarHBondContact O-N 3.06Å; E612-L615 WeakPolarHBondContact O-CB 3.45Å; E612-L615 PolarHBondContact O-N 3.36Å; E612-L615 VanDerWaalsContact O-N 3.11Å; E612-A616 WeakPolarHBondContact O-CB 3.26Å; E612-A616 PolarHBondContact O-N 3.08Å
613T80.4Confident72.5Confident65 Ų65104.3 Ų104.340%0.39955%0.549SS..Hα-helixtrans-65.4-32.5176.756.50000112.2S609 D610 T617S609-T613 WeakPolarHBondContact CB-OG1 3.47Å; D610-T613 PolarHBondContact N-OG1 3.24Å; D610-T613 VanDerWaalsContact N-OG1 3.12Å; D610-T613 PolarHBondContact O-N 2.92Å; D610-T613 PolarHBondContact O-OG1 3.49Å; T613-T617 WeakPolarHBondContact O-CB 3.38Å; T613-T617 PolarHBondContact O-N 3.08Å; T613-T617 PolarHBondContact O-OG1 2.97Å
614R79.4Confident71.6Confident159 Ų159108.7 Ų108.760%0.657%0.572SS**Hα-helixtrans-64.5-43.9170.1-73.317361.2-164-2.6112.2S609 D610 E612 A618S609-R614 WeakPolarHBondContact O-CD 3.45Å; S609-R614 WeakPolarHBondContact OG-CD 3.43Å; S609-R614 WeakPolarHBondContact OG-CG 3.37Å; D610-R614 WeakPolarHBondContact O-CB 3.44Å; D610-R614 VanDerWaalsContact O-CG 3.31Å; D610-R614 WeakPolarHBondContact O-CG 3.35Å; D610-R614 PolarHBondContact O-N 3.36Å; E612-R614 VanDerWaalsContact C-N 3.29Å; E612-R614 PolarHBondContact O-N 3.06Å; R614-A618 WeakPolarHBondContact O-CB 3.48Å; R614-A618 PolarHBondContact O-N 3.39Å
615L78.7Confident71.1Confident102 Ų102115.2 Ų115.253%0.53460%0.595SS.*Hα-helixtrans-65.3-45.1176.5-83163000110.8K611 E612 A618 M619K611-L615 HydrophobicContact CG-CD1 4.26Å; K611-L615 WeakPolarHBondContact O-CB 3.35Å; K611-L615 WeakPolarHBondContact O-CG 3.38Å; K611-L615 PolarHBondContact O-N 2.93Å; E612-L615 WeakPolarHBondContact O-CB 3.45Å; E612-L615 PolarHBondContact O-N 3.36Å; E612-L615 VanDerWaalsContact O-N 3.11Å; L615-A618 CarbonylContact O-C 3.59Å; L615-A618 PolarHBondContact O-N 3.47Å; L615-M619 WeakPolarHBondContact O-CB 3.37Å; L615-M619 WeakPolarHBondContact O-CG 3.34Å; L615-M619 PolarHBondContact O-N 3.27Å
616A80.4Confident70.4Confident59 Ų59119.2 Ų119.249%0.48861%0.613SS.*Hα-helixtrans-60.4-46.5175.500000112.2E612 A618 M619 A620E612-A616 WeakPolarHBondContact O-CB 3.26Å; E612-A616 PolarHBondContact O-N 3.08Å; A616-A618 VanDerWaalsContact C-N 3.31Å; A616-A618 PolarHBondContact O-N 2.99Å; A616-M619 PolarHBondContact O-N 2.82Å; A616-A620 WeakPolarHBondContact O-CB 3.47Å; A616-A620 PolarHBondContact O-N 2.81Å
617T80.3Confident69.9Low101 Ų101117.7 Ų117.762%0.6261%0.608SS**Hα-helixtrans-63.6-38175.4-53.60000111.5T613 G621T613-T617 WeakPolarHBondContact O-CB 3.38Å; T613-T617 PolarHBondContact O-N 3.08Å; T613-T617 PolarHBondContact O-OG1 2.97Å; T617-G621 PolarHBondContact O-N 3.05Å
618A76.9Confident69.3Low49 Ų49122.3 Ų122.341%0.40562%0.619SS.*Hα-helixtrans-69.3-34.3175.800000112.4R614 L615 A616 K622R614-A618 WeakPolarHBondContact O-CB 3.48Å; R614-A618 PolarHBondContact O-N 3.39Å; L615-A618 CarbonylContact O-C 3.59Å; L615-A618 PolarHBondContact O-N 3.47Å; A616-A618 VanDerWaalsContact C-N 3.31Å; A616-A618 PolarHBondContact O-N 2.99Å; A618-K622 WeakPolarHBondContact O-CB 3.35Å; A618-K622 WeakPolarHBondContact O-CG 3.44Å; A618-K622 PolarHBondContact O-N 3.43Å; A618-K622 VanDerWaalsContact O-N 3.13Å
619M72.9Confident68.6Low115 Ų115117 Ų11757%0.56761%0.613SS**Hα-helixtrans-73.9-44176.2-70.6-69.8-83.300111.3L615 A616 G621 K622 T623L615-M619 WeakPolarHBondContact O-CB 3.37Å; L615-M619 WeakPolarHBondContact O-CG 3.34Å; L615-M619 PolarHBondContact O-N 3.27Å; A616-M619 PolarHBondContact O-N 2.82Å; M619-G621 VanDerWaalsContact C-N 3.3Å; M619-G621 PolarHBondContact O-N 3.16Å; M619-K622 WeakPolarHBondContact O-CA 3.34Å; M619-K622 WeakPolarHBondContact O-CB 3.45Å; M619-K622 PolarHBondContact O-N 3.45Å; M619-K622 HydrophobicContact SD-CD 4.24Å; M619-T623 PolarHBondContact O-N 2.91Å; M619-T623 VanDerWaalsContact O-N 3.07Å
620A75.7Confident67.8Low60 Ų60124.6 Ų124.650%0.49663%0.631SS.*Hα-helixtrans-62.2-37.3171.500000111.8A616 K622 T623A616-A620 WeakPolarHBondContact O-CB 3.47Å; A616-A620 PolarHBondContact O-N 2.81Å; A620-K622 PolarHBondContact O-N 3.43Å; A620-T623 PolarHBondContact O-OG1 3.13Å
621G67.8Low66.5Low30 Ų30127.9 Ų127.931%0.30964%0.639SS.*Hα-helixtrans-71-12.6171.500000114.4T617 M619 R625T617-G621 PolarHBondContact O-N 3.05Å; M619-G621 VanDerWaalsContact C-N 3.3Å; M619-G621 PolarHBondContact O-N 3.16Å; G621-R625 WeakPolarHBondContact O-CD 3.36Å; G621-R625 VanDerWaalsContact O-CG 3.29Å; G621-R625 WeakPolarHBondContact O-CG 3.45Å
622K66.4Low65.3Low144 Ų144129.5 Ų129.563%0.62665%0.647SS**Hα-helixtrans-93.8-29.5176.7-83.1171.6-179.4-176.60112.7A618 M619 A620 D624 R625A618-K622 WeakPolarHBondContact O-CB 3.35Å; A618-K622 WeakPolarHBondContact O-CG 3.44Å; A618-K622 PolarHBondContact O-N 3.43Å; A618-K622 VanDerWaalsContact O-N 3.13Å; M619-K622 WeakPolarHBondContact O-CA 3.34Å; M619-K622 WeakPolarHBondContact O-CB 3.45Å; M619-K622 PolarHBondContact O-N 3.45Å; M619-K622 HydrophobicContact SD-CD 4.24Å; A620-K622 PolarHBondContact O-N 3.43Å; K622-D624 VanDerWaalsContact C-N 3.29Å; K622-D624 PolarHBondContact O-N 3.01Å; K622-R625 PolarHBondContact O-N 3.3Å
623T56.9Low64.1Low102 Ų102128.7 Ų128.763%0.62665%0.653SS**Hα-helixtrans-62.9-35-177.3470000112.4M619 A620M619-T623 PolarHBondContact O-N 2.91Å; M619-T623 VanDerWaalsContact O-N 3.07Å; A620-T623 PolarHBondContact O-OG1 3.13Å
624D53.8Low62.9Low149 Ų149131 Ų13180%0.79766%0.657SS**THydrogen-bonded Turntrans-95.72.1-179.6-64-20.2000114.3K622K622-D624 VanDerWaalsContact C-N 3.29Å; K622-D624 PolarHBondContact O-N 3.01Å
625R55.2Low61.7Low179 Ų179132.7 Ų132.768%0.67567%0.674SS**  trans-110.961.2-174.8-73.6-172.5-175.9167.80.2112.8G621 K622G621-R625 WeakPolarHBondContact O-CD 3.36Å; G621-R625 VanDerWaalsContact O-CG 3.29Å; G621-R625 WeakPolarHBondContact O-CG 3.45Å; K622-R625 PolarHBondContact O-N 3.3Å
626K53.8Low60.7Low199 Ų199133.1 Ų133.187%0.86568%0.677SS**  trans-78.4-13.6169-78.7-177.1178.2176.10114.2
627E51.3Low59.8Low156 Ų156135.8 Ų135.873%0.72969%0.69SS**  trans-127.753.5-167.7-62.4-161.9153.700116
628F49.6Very low58.8Low188 Ų188140.2 Ų140.283%0.82570%0.701SS**  trans-120.932.9161.2-73.1-76.6000113.5
629A52.8Low58.3Low89 Ų89141 Ų14174%0.73670%0.703SS**SBendtrans-78.1117.2147.600000107.4K631A629-K631 PolarHBondContact O-N 3.22Å
630R52.5Low58Low229 Ų229140.3 Ų140.386%0.86471%0.71SS**  trans-50110173.3-158.9-177-163.7168.98.7108.1K632R630-K632 PolarHBondContact O-N 2.96Å
631K52.6Low57.4Low186 Ų186140 Ų14081%0.80970%0.703SS**  trans-49107.1178.3-100.5-179.9177.5172.80108.2A629 T633A629-K631 PolarHBondContact O-N 3.22Å; K631-T633 PolarHBondContact O-N 3.26Å; K631-T633 PolarHBondContact O-OG1 3.4Å
632K54.4Low57.6Low199 Ų199141.9 Ų141.987%0.86571%0.709SS**  trans-66.1109.4177-78.5-174.6178.5177.10106.2R630 K634R630-K632 PolarHBondContact O-N 2.96Å; K632-K634 PolarHBondContact O-N 3.48Å
633T53.9Low57.6Low143 Ų143141 Ų14188%0.87771%0.711SS**SBendtrans-72.39.7-174.8-25.70000113.4K631K631-T633 PolarHBondContact O-N 3.26Å; K631-T633 PolarHBondContact O-OG1 3.4Å
634K56.5Low57.9Low113 Ų113144.1 Ų144.149%0.49172%0.716SS.*  trans-120116.4178.6-69.2-175177.3179.40109.1K632 N636K632-K634 PolarHBondContact O-N 3.48Å; K634-N636 PolarHBondContact O-N 3.48Å
635M54.2Low58.4Low194 Ų194141.1 Ų141.196%0.95670%0.697SS**  trans-70.3-8.7-174.2-74.3-91.1-78.900114.9
636N57.6Low58.9Low112 Ų112137.6 Ų137.660%0.59969%0.687SS**  trans-108.9115.7-172-148.7-19.3000112.2K634 F638 S639K634-N636 PolarHBondContact O-N 3.48Å; N636-F638 PolarHBondContact O-N 3.45Å; N636-F638 VanDerWaalsContact O-N 3.16Å; N636-S639 PolarHBondContact O-N 2.99Å
637P61Low59.3Low115 Ų115134.9 Ų134.975%0.74768%0.675SS**THydrogen-bonded Turntrans-59.6-21.5-175.6-27.936.4000116.5
638F59.5Low59.8Low194 Ų194135.3 Ų135.385%0.85168%0.675SS**THydrogen-bonded Turntrans-102.89.7-174.9-60.8-76.4000115.1N636 S640N636-F638 PolarHBondContact O-N 3.45Å; N636-F638 VanDerWaalsContact O-N 3.16Å; F638-S640 PolarHBondContact O-N 3.05Å
639S66.1Low60.4Low64 Ų64134.4 Ų134.445%0.44867%0.673SS.*PPolyproline II helixtrans-69.7122.9176.4171.50000111.4N636N636-S639 PolarHBondContact O-N 2.99Å
640S65.8Low61Low102 Ų102136.4 Ų136.471%0.71367%0.665SS**PPolyproline II helixtrans-63.7142.5170.362.60000111.4F638F638-S640 PolarHBondContact O-N 3.05Å
641S64.4Low61.8Low52 Ų52131.1 Ų131.136%0.36465%0.654SS.*PPolyproline II helixtrans-77.1141.7177.156.80000110.8K646S641-K646 WeakPolarHBondContact OG-CE 3.31Å; S641-K646 WeakPolarHBondContact OG-CG 3.47Å
642T71.6Confident62.5Low70 Ų70129.2 Ų129.243%0.42965%0.646SS.*PPolyproline II helixtrans-67.9150.6178.359.20000110.6K644 E645 K646T642-K644 PolarHBondContact O-N 2.95Å; T642-E645 PolarHBondContact N-OE2 3.21Å; T642-E645 VanDerWaalsContact N-OE2 3.09Å; T642-E645 WeakPolarHBondContact O-CA 3.08Å; T642-E645 WeakPolarHBondContact O-CB 3.19Å; T642-E645 PolarHBondContact O-N 3.08Å; T642-E645 PolarHBondContact OG1-N 2.99Å; T642-E645 PolarHBondContact OG1-OE2 3.35Å; T642-K646 PolarHBondContact O-N 2.73Å
643N66.2Low63.3Low125 Ų125126.8 Ų126.867%0.66864%0.64SS**Hα-helixtrans-56.2-22.8175.4-78.9-17.6000113K647N643-K647 WeakPolarHBondContact O-CG 3.37Å; N643-K647 PolarHBondContact O-N 2.76Å
644K63.7Low64Low168 Ų168127 Ų12773%0.7363%0.632SS**Hα-helixtrans-74.2-31.4174.5-155.1173.6-175.4178.50112.7T642T642-K644 PolarHBondContact O-N 2.95Å
645E63.8Low64.4Low86 Ų86124.1 Ų124.140%0.40262%0.621SS.*Hα-helixtrans-78.4-41.1172.2-76.5165.3144.500111.7T642 K647 K648T642-E645 PolarHBondContact N-OE2 3.21Å; T642-E645 VanDerWaalsContact N-OE2 3.09Å; T642-E645 WeakPolarHBondContact O-CA 3.08Å; T642-E645 WeakPolarHBondContact O-CB 3.19Å; T642-E645 PolarHBondContact O-N 3.08Å; T642-E645 PolarHBondContact OG1-N 2.99Å; T642-E645 PolarHBondContact OG1-OE2 3.35Å; E645-K647 PolarHBondContact O-N 2.8Å; E645-K648 WeakPolarHBondContact O-CB 3.44Å; E645-K648 PolarHBondContact O-N 3.3Å
646K65.8Low65.1Low106 Ų106122.1 Ų122.146%0.46160%0.603SS.*Hα-helixtrans-58-34.9173.7-65.6-176.9-179.6179.20112.1S641 T642 K648 Q649S641-K646 WeakPolarHBondContact OG-CE 3.31Å; S641-K646 WeakPolarHBondContact OG-CG 3.47Å; T642-K646 PolarHBondContact O-N 2.73Å; K646-K648 VanDerWaalsContact C-N 3.28Å; K646-K648 PolarHBondContact O-N 2.91Å; K646-Q649 PolarHBondContact O-N 3.28Å
647K62.9Low65.7Low141 Ų141124.7 Ų124.761%0.61361%0.605SS**G310 helixtrans-65.1-24.7173.1-81.8-178.8179.6-178.10114.1N643 E645N643-K647 WeakPolarHBondContact O-CG 3.37Å; N643-K647 PolarHBondContact O-N 2.76Å; E645-K647 PolarHBondContact O-N 2.8Å
648K61.9Low66.2Low165 Ų165121.1 Ų121.172%0.71758%0.583SS**G310 helixtrans-82.7-13178.7-67.5-179.4-179.8-1800113.6E645 K646 K650E645-K648 WeakPolarHBondContact O-CB 3.44Å; E645-K648 PolarHBondContact O-N 3.3Å; K646-K648 VanDerWaalsContact C-N 3.28Å; K646-K648 PolarHBondContact O-N 2.91Å; K648-K650 VanDerWaalsContact C-N 3.33Å
649Q61.1Low66.4Low170 Ų170119.5 Ų119.579%0.79458%0.578SS**G310 helixtrans-84.2-4.7177.1-101.4175.6-28.800113.6K646K646-Q649 PolarHBondContact O-N 3.28Å
650K66.3Low66.3Low131 Ų131122.9 Ų122.957%0.5759%0.592SS**SBendtrans-71.1134.7175-66.4-168.9176.7-167.10110.4K648 M655K648-K650 VanDerWaalsContact C-N 3.33Å; K650-M655 HydrophobicContact CB-CG 3.77Å; K650-M655 HydrophobicContact CB-SD 4Å; K650-M655 HydrophobicContact CD-SD 4.03Å
651N68.4Low66.2Low118 Ų118121.7 Ų121.763%0.63158%0.58SS**  trans-56138.5-179.1-163.24.4000111.5M653 M654 M655N651-M653 VanDerWaalsContact C-N 3.29Å; N651-M653 PolarHBondContact O-N 3.08Å; N651-M654 WeakPolarHBondContact O-CB 3.36Å; N651-M654 PolarHBondContact O-N 3.49Å; N651-M655 PolarHBondContact O-N 2.97Å
652F67.8Low66.2Low146 Ų146128.4 Ų128.464%0.6460%0.597SS**Hα-helixtrans-60.2-36.2-169.9179.4-102.1000113.1M654 M655 R656F652-M654 PolarHBondContact O-N 3.22Å; F652-M655 PolarHBondContact O-N 2.85Å; F652-M655 VanDerWaalsContact O-N 3.14Å; F652-R656 WeakPolarHBondContact O-CB 3.41Å; F652-R656 PolarHBondContact O-N 3.43Å
653M71.1Confident65.9Low148 Ų148127.2 Ų127.273%0.72959%0.591SS**Hα-helixtrans-59.4-32.5175.3-85.9-175.817200113N651 Y657N651-M653 VanDerWaalsContact C-N 3.29Å; N651-M653 PolarHBondContact O-N 3.08Å; M653-Y657 WeakPolarHBondContact O-CD2 3.26Å
654M68.2Low65.5Low146 Ų146131 Ų13172%0.71960%0.602SS**Hα-helixtrans-80.4-29.5177.3-65.9-125.5-77.800112.5N651 F652N651-M654 WeakPolarHBondContact O-CB 3.36Å; N651-M654 PolarHBondContact O-N 3.49Å; F652-M654 PolarHBondContact O-N 3.22Å
655M66.2Low65.3Low53 Ų53130.4 Ų130.426%0.26160%0.601SS.*Hα-helixtrans-84.1-23.5179.9-71.8-65.9-66.300113.3K650 N651 F652 Y657 S658 V661K650-M655 HydrophobicContact CB-CG 3.77Å; K650-M655 HydrophobicContact CB-SD 4Å; K650-M655 HydrophobicContact CD-SD 4.03Å; N651-M655 PolarHBondContact O-N 2.97Å; F652-M655 PolarHBondContact O-N 2.85Å; F652-M655 VanDerWaalsContact O-N 3.14Å; M655-Y657 PolarHBondContact O-N 3.43Å; M655-S658 VanDerWaalsContact O-CB 3.25Å; M655-S658 WeakPolarHBondContact O-CB 3.47Å; M655-S658 PolarHBondContact O-N 3.39Å; M655-V661 HydrophobicContact CE-CG2 4.01Å; M655-V661 WeakPolarHBondContact O-CG2 3.47Å
656R68.4Low65.2Low152 Ų152135.2 Ų135.257%0.57462%0.621SS**THydrogen-bonded Turntrans-59.9-31.8-177.4-174.8-179.9177.9-170.8-1.2113.1F652 R662F652-R656 WeakPolarHBondContact O-CB 3.41Å; F652-R656 PolarHBondContact O-N 3.43Å; R656-R662 VanDerWaalsContact O-CG 3.24Å; R656-R662 WeakPolarHBondContact O-CG 3.23Å
657Y70.2Confident65.2Low166 Ų166137.3 Ų137.365%0.65163%0.626SS**THydrogen-bonded Turntrans-89.1-9178.4-58.4-71.7000113.3M653 M655 Q659M653-Y657 WeakPolarHBondContact O-CD2 3.26Å; M655-Y657 PolarHBondContact O-N 3.43Å; Y657-Q659 PolarHBondContact O-N 2.93Å
658S70.6Confident65.8Low40 Ų40133.3 Ų133.328%0.2862%0.616SS.*SBendtrans-66129.8176.2-175.40000110.5M655 N660 V661 R662M655-S658 VanDerWaalsContact O-CB 3.25Å; M655-S658 WeakPolarHBondContact O-CB 3.47Å; M655-S658 PolarHBondContact O-N 3.39Å; S658-N660 PolarHBondContact O-N 3.38Å; S658-N660 VanDerWaalsContact O-N 3.14Å; S658-V661 PolarHBondContact O-N 3.32Å; S658-R662 PolarHBondContact O-N 2.89Å; S658-R662 VanDerWaalsContact O-N 3.15Å
659Q63.1Low66.2Low160 Ų160133.8 Ų133.875%0.74862%0.618SS**Hα-helixtrans-58.9-28.8-176.8-158.8152.2-6.600113.1Y657 V661 S663Y657-Q659 PolarHBondContact O-N 2.93Å; Q659-V661 VanDerWaalsContact C-N 3.3Å; Q659-V661 PolarHBondContact O-N 3.39Å; Q659-S663 PolarHBondContact O-N 2.95Å; Q659-S663 PolarHBondContact O-OG 3.29Å
660N64.1Low67.1Low136 Ų136134.9 Ų134.973%0.72762%0.615SS**Hα-helixtrans-68.1-23175-71.4-31000114.2S658S658-N660 PolarHBondContact O-N 3.38Å; S658-N660 VanDerWaalsContact O-N 3.14Å
661V65.4Low67.9Low76 Ų76133.2 Ų133.246%0.46161%0.609SS.*Hα-helixtrans-96-35.7178.7-178.90000110.5M655 S658 Q659M655-V661 HydrophobicContact CE-CG2 4.01Å; M655-V661 WeakPolarHBondContact O-CG2 3.47Å; S658-V661 PolarHBondContact O-N 3.32Å; Q659-V661 VanDerWaalsContact C-N 3.3Å; Q659-V661 PolarHBondContact O-N 3.39Å
662R64.1Low68.5Low194 Ų194133 Ų13373%0.73260%0.603SS**Hα-helixtrans-73.2-34.4177.2-69-178.279.9177.94.8112.8R656 S658R656-R662 VanDerWaalsContact O-CG 3.24Å; R656-R662 WeakPolarHBondContact O-CG 3.23Å; S658-R662 PolarHBondContact O-N 2.89Å; S658-R662 VanDerWaalsContact O-N 3.15Å
663S63.6Low69.3Low44 Ų44132.3 Ų132.331%0.30860%0.602SS.*  trans-111.1116.7177.2700000109.8Q659 H665Q659-S663 PolarHBondContact O-N 2.95Å; Q659-S663 PolarHBondContact O-OG 3.29Å; S663-H665 PolarHBondContact O-N 3.02Å
664K59.4Low70.1Confident204 Ų204129.7 Ų129.789%0.88759%0.59SS**  trans-72.778.5162-78.6-175.6178.1178.20107.1K666K664-K666 PolarHBondContact O-N 3.38Å
665H58.8Low70.9Confident156 Ų156124.3 Ų124.372%0.72257%0.569SS**  trans-64.1100.9173.6-137.777.8000107.5S663 R667S663-H665 PolarHBondContact O-N 3.02Å; H665-R667 PolarHBondContact O-N 3.33Å
666K61.9Low71.9Confident187 Ų187127.1 Ų127.181%0.81358%0.584SS**  trans-63.1119.8166.1-69.3-178.1179.2178.60104.7K664 S668K664-K666 PolarHBondContact O-N 3.38Å; K666-S668 PolarHBondContact O-N 3.12Å
667R65.6Low72.9Confident151 Ų151128 Ų12857%0.5759%0.587SS**  trans-44.4133.9174.7-78.3-179.9169.2179.6-7.8109.6H665 E671 K672H665-R667 PolarHBondContact O-N 3.33Å; R667-E671 WeakPolarHBondContact CA-OE2 3.39Å; R667-E671 HydrophobicContact CB-CB 4.18Å; R667-K672 HydrophobicContact CB-CG 3.8Å; R667-K672 WeakPolarHBondContact O-CE 3.41Å
668S76.1Confident73.8Confident57 Ų57124.5 Ų124.540%0.39958%0.58SS.*  trans-59.1156.3175.978.80000109.6K666 R670 E671 K672K666-S668 PolarHBondContact O-N 3.12Å; S668-R670 PolarHBondContact O-N 2.92Å; S668-E671 PolarHBondContact N-OE2 3.25Å; S668-E671 PolarHBondContact O-N 3.32Å; S668-E671 VanDerWaalsContact O-N 3.07Å; S668-E671 WeakPolarHBondContact OG-CG 3.26Å; S668-E671 PolarHBondContact OG-N 3.23Å; S668-K672 PolarHBondContact O-N 3.07Å
669F70.8Confident74.5Confident174 Ų174125.2 Ų125.276%0.76359%0.588SS**Hα-helixtrans-58-38.1-178.5-159.6-96.5000111.5K672 Q673F669-K672 WeakPolarHBondContact O-CB 3.45Å; F669-K672 PolarHBondContact O-N 3.44Å; F669-Q673 PolarHBondContact O-N 3.14Å
670R80.1Confident75.7Confident193 Ų193122.6 Ų122.673%0.72858%0.579SS**Hα-helixtrans-62.9-41.8174.4-168.7174.5-178.3-177.20.6112.9S668 K672 Q673 L674S668-R670 PolarHBondContact O-N 2.92Å; R670-K672 VanDerWaalsContact C-N 3.35Å; R670-Q673 PolarHBondContact O-N 3.22Å; R670-L674 HydrophobicContact CG-CD1 4.42Å; R670-L674 PolarHBondContact O-N 3.02Å
671E82.4Confident76.7Confident96 Ų96119.7 Ų119.745%0.44956%0.563SS.*Hα-helixtrans-67.1-35.4175.2-76.2179.416700112.6R667 S668 A675R667-E671 WeakPolarHBondContact CA-OE2 3.39Å; R667-E671 HydrophobicContact CB-CB 4.18Å; S668-E671 PolarHBondContact N-OE2 3.25Å; S668-E671 PolarHBondContact O-N 3.32Å; S668-E671 VanDerWaalsContact O-N 3.07Å; S668-E671 WeakPolarHBondContact OG-CG 3.26Å; S668-E671 PolarHBondContact OG-N 3.23Å; E671-A675 VanDerWaalsContact O-CB 3.24Å; E671-A675 WeakPolarHBondContact O-CB 3.47Å; E671-A675 PolarHBondContact O-N 2.99Å
672K80.4Confident77.6Confident115 Ų115123.7 Ų123.750%0.557%0.574SS.*Hα-helixtrans-65.9-42.4173.8-71.1-178.7-177.5176.40111.1R667 S668 F669 R670 A675 L676R667-K672 HydrophobicContact CB-CG 3.8Å; R667-K672 WeakPolarHBondContact O-CE 3.41Å; S668-K672 PolarHBondContact O-N 3.07Å; F669-K672 WeakPolarHBondContact O-CB 3.45Å; F669-K672 PolarHBondContact O-N 3.44Å; R670-K672 VanDerWaalsContact C-N 3.35Å; K672-A675 PolarHBondContact O-N 2.73Å; K672-L676 WeakPolarHBondContact O-CB 3.34Å; K672-L676 PolarHBondContact O-N 2.79Å
673Q85.7Confident78.3Confident131 Ų131121.5 Ų121.561%0.61257%0.57SS**Hα-helixtrans-63.3-45.8177.7-168.8-177.93.500111.7F669 R670 L676 R677F669-Q673 PolarHBondContact O-N 3.14Å; R670-Q673 PolarHBondContact O-N 3.22Å; Q673-L676 PolarHBondContact O-N 3.47Å; Q673-R677 WeakPolarHBondContact O-CB 3.35Å; Q673-R677 PolarHBondContact O-N 2.87Å
674L86.6Confident78.9Confident93 Ų93128 Ų12849%0.48759%0.588SS.*Hα-helixtrans-62-46.8175.2-79.7163.6000111.9R670 L676 R677 D678R670-L674 HydrophobicContact CG-CD1 4.42Å; R670-L674 PolarHBondContact O-N 3.02Å; L674-L676 VanDerWaalsContact C-N 3.29Å; L674-L676 PolarHBondContact O-N 3.23Å; L674-R677 PolarHBondContact O-N 3.49Å; L674-D678 PolarHBondContact O-N 3.4Å
675A86.2Confident79.7Confident33 Ų33126.4 Ų126.427%0.27358%0.581SS.*Hα-helixtrans-63.3-35.3178.200000112.6E671 K672 A679E671-A675 VanDerWaalsContact O-CB 3.24Å; E671-A675 WeakPolarHBondContact O-CB 3.47Å; E671-A675 PolarHBondContact O-N 2.99Å; K672-A675 PolarHBondContact O-N 2.73Å; A675-A679 VanDerWaalsContact O-CB 3.28Å; A675-A679 WeakPolarHBondContact O-CB 3.5Å; A675-A679 PolarHBondContact O-N 3.21Å
676L87.2Confident80.3Confident111 Ų111129.8 Ų129.858%0.58159%0.587SS**Hα-helixtrans-68.5-45.7175-175.267000111K672 Q673 L674 D678 A679 L680K672-L676 WeakPolarHBondContact O-CB 3.34Å; K672-L676 PolarHBondContact O-N 2.79Å; Q673-L676 PolarHBondContact O-N 3.47Å; L674-L676 VanDerWaalsContact C-N 3.29Å; L674-L676 PolarHBondContact O-N 3.23Å; L676-D678 PolarHBondContact O-N 2.87Å; L676-A679 PolarHBondContact O-N 3.33Å; L676-L680 HydrophobicContact CG-CD1 4.24Å; L676-L680 WeakPolarHBondContact O-CG 3.47Å; L676-L680 PolarHBondContact O-N 3.22Å
677R88.3Confident80.2Confident170 Ų170128.8 Ų128.864%0.64259%0.587SS**Hα-helixtrans-57.2-47174.9179.2-178.9163128.4-2.2111.4Q673 L674 A679 L680 L681Q673-R677 WeakPolarHBondContact O-CB 3.35Å; Q673-R677 PolarHBondContact O-N 2.87Å; L674-R677 PolarHBondContact O-N 3.49Å; R677-A679 PolarHBondContact O-N 3.48Å; R677-L680 PolarHBondContact O-N 2.89Å; R677-L681 HydrophobicContact CG-CD1 4.09Å; R677-L681 WeakPolarHBondContact O-CB 3.38Å; R677-L681 WeakPolarHBondContact O-CG 3.41Å; R677-L681 PolarHBondContact O-N 3.49Å
678D89.8Confident79.4Confident94 Ų94132.1 Ų132.150%0.50361%0.606SS.*Hα-helixtrans-65.9-37.5178.7-75-12.9000112.5L674 L676 L681 K682L674-D678 PolarHBondContact O-N 3.4Å; L676-D678 PolarHBondContact O-N 2.87Å; D678-L681 PolarHBondContact O-N 2.87Å; D678-K682 WeakPolarHBondContact O-CB 3.46Å; D678-K682 PolarHBondContact O-N 3.22Å
679A85.9Confident79.5Confident55 Ų55135.9 Ų135.946%0.45562%0.617SS.*Hα-helixtrans-64.5-42.7174.600000111.5A675 L676 R677 K682 K683A675-A679 VanDerWaalsContact O-CB 3.28Å; A675-A679 WeakPolarHBondContact O-CB 3.5Å; A675-A679 PolarHBondContact O-N 3.21Å; L676-A679 PolarHBondContact O-N 3.33Å; R677-A679 PolarHBondContact O-N 3.48Å; A679-K682 PolarHBondContact O-N 3.02Å; A679-K683 WeakPolarHBondContact O-CB 3.4Å; A679-K683 PolarHBondContact O-N 3.4Å
680L86.8Confident80Confident104 Ų104133.9 Ų133.955%0.54561%0.609SS.*Hα-helixtrans-66-41.2176-70.1172.9000111.8L676 R677 K683 R684L676-L680 HydrophobicContact CG-CD1 4.24Å; L676-L680 WeakPolarHBondContact O-CG 3.47Å; L676-L680 PolarHBondContact O-N 3.22Å; R677-L680 PolarHBondContact O-N 2.89Å; L680-K683 PolarHBondContact O-N 3.04Å; L680-R684 WeakPolarHBondContact O-CB 3.28Å; L680-R684 PolarHBondContact O-N 3.39Å
681L86.1Confident80Confident75 Ų75130.6 Ų130.639%0.39360%0.602SS.*Hα-helixtrans-62.8-41.2174.2-78.2168.3000112.3R677 D678 R684 K685R677-L681 HydrophobicContact CG-CD1 4.09Å; R677-L681 WeakPolarHBondContact O-CB 3.38Å; R677-L681 WeakPolarHBondContact O-CG 3.41Å; R677-L681 PolarHBondContact O-N 3.49Å; D678-L681 PolarHBondContact O-N 2.87Å; L681-R684 PolarHBondContact O-N 3.24Å; L681-K685 WeakPolarHBondContact O-CB 3.33Å; L681-K685 WeakPolarHBondContact O-CG 3.45Å; L681-K685 PolarHBondContact O-N 3.2Å
682K84.7Confident79.8Confident160 Ų160132.6 Ų132.670%0.69661%0.611SS**Hα-helixtrans-64.7-38.1173-90.9-178.8176.4173.60112.6D678 A679 K685 R686D678-K682 WeakPolarHBondContact O-CB 3.46Å; D678-K682 PolarHBondContact O-N 3.22Å; A679-K682 PolarHBondContact O-N 3.02Å; K682-K685 PolarHBondContact O-N 3.04Å; K682-R686 PolarHBondContact O-N 3.07Å
683K77.9Confident79.8Confident148 Ų148133.8 Ų133.864%0.64362%0.618SS**Hα-helixtrans-66.8-41.3176.6-156.6178.4-177.4-172.90110.7A679 L680 R686 M687A679-K683 WeakPolarHBondContact O-CB 3.4Å; A679-K683 PolarHBondContact O-N 3.4Å; L680-K683 PolarHBondContact O-N 3.04Å; K683-R686 PolarHBondContact O-N 3.43Å; K683-M687 VanDerWaalsContact O-CG 3.27Å; K683-M687 WeakPolarHBondContact O-CG 3.29Å; K683-M687 PolarHBondContact O-N 3.3Å; K683-M687 VanDerWaalsContact O-N 3.17Å
684R76.3Confident79.4Confident181 Ų181133.9 Ų133.968%0.68362%0.619SS**Hα-helixtrans-63.6-40174-169.2177.5177-177.3-0.7112.6L680 L681 R686 M687 K688L680-R684 WeakPolarHBondContact O-CB 3.28Å; L680-R684 PolarHBondContact O-N 3.39Å; L681-R684 PolarHBondContact O-N 3.24Å; R684-R686 PolarHBondContact O-N 3.23Å; R684-M687 PolarHBondContact O-N 3.2Å; R684-K688 PolarHBondContact O-N 3.45Å; R684-K688 VanDerWaalsContact O-N 3.14Å
685K76.8Confident78.9Confident171 Ų171136.9 Ų136.974%0.74363%0.628SS**Hα-helixtrans-70.4-12174.3-78.3-171.8178.2-172.20114.9L681 K682L681-K685 WeakPolarHBondContact O-CB 3.33Å; L681-K685 WeakPolarHBondContact O-CG 3.45Å; L681-K685 PolarHBondContact O-N 3.2Å; K682-K685 PolarHBondContact O-N 3.04Å
686R70.3Confident78.3Confident226 Ų226144.8 Ų144.885%0.85366%0.655SS**Hα-helixtrans-98.2-14.9173.3-88.5-177.7163.4-171.1-7113.1K682 K683 R684K682-R686 PolarHBondContact O-N 3.07Å; K683-R686 PolarHBondContact O-N 3.43Å; R684-R686 PolarHBondContact O-N 3.23Å
687M59.5Low77.6Confident166 Ų166147.7 Ų147.782%0.81866%0.661SS**Hα-helixtrans-102-7.5179.2-67.6-93-71.100112.1K683 R684K683-M687 VanDerWaalsContact O-CG 3.27Å; K683-M687 WeakPolarHBondContact O-CG 3.29Å; K683-M687 PolarHBondContact O-N 3.3Å; K683-M687 VanDerWaalsContact O-N 3.17Å; R684-M687 PolarHBondContact O-N 3.2Å
688K48.7Very low76.6Confident222 Ų222145.6 Ų145.697%0.96566%0.663SS**  trans-95.80148.8-81.2-171.4171.8-167.70106.6R684R684-K688 PolarHBondContact O-N 3.45Å; R684-K688 VanDerWaalsContact O-N 3.14Å

Retrieved 688 of 688 residues in 194.2 ms (Link to these results)

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