A0A077YYT4_TRITR Loading...

INTS5 N and INTS5 C domain containing protein

AlphaFold DB , UniProt , Accession A0A077YYT4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 959 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
1M54.6Low79.4Confident212 Ų21297.4 Ų97.4100%1.04452%0.52SS*.  0-40.70-82-160.9158.500112.9S3 R4 A5M1-S3 PolarHBondContact O-N 3.43Å; M1-R4 PolarHBondContact O-N 3.27Å; M1-A5 PolarHBondContact O-N 3.44Å
2S65.1Low80.1Confident89 Ų8995.9 Ų95.962%0.62251%0.506SS*.Hα-helixtrans-55.9-46.9178.5540000113.9R4 A5 E6S2-R4 PolarHBondContact O-N 3.49Å; S2-A5 PolarHBondContact O-N 2.95Å; S2-E6 PolarHBondContact O-N 3.17Å
3S77.7Confident80.8Confident83 Ų8395.3 Ų95.358%0.5851%0.508SS*.Hα-helixtrans-60.5-40.8-178.158.60000113.8M1 E6 L7M1-S3 PolarHBondContact O-N 3.43Å; S3-E6 PolarHBondContact O-N 3.36Å; S3-L7 WeakPolarHBondContact O-CB 3.46Å; S3-L7 PolarHBondContact O-N 3.03Å
4R76Confident81.3Confident147 Ų14797.4 Ų97.456%0.55551%0.51SS*.Hα-helixtrans-68.7-38177.8-164.6175.7-173.7175.43.2111.5M1 S2 C8 N51M1-R4 PolarHBondContact O-N 3.27Å; S2-R4 PolarHBondContact O-N 3.49Å; R4-C8 WeakPolarHBondContact O-CB 3.43Å; R4-C8 PolarHBondContact O-N 2.9Å; R4-C8 PolarHBondContact O-SG 3.44Å; R4-C8 VanDerWaalsContact O-SG 3.33Å; R4-N51 PolarHBondContact NH2-OD1 3.33Å
5A79.4Confident82Confident65 Ų6591.2 Ų91.254%0.53748%0.478SS..Hα-helixtrans-67.1-41.1176.700000112M1 S2 C8 K9M1-A5 PolarHBondContact O-N 3.44Å; S2-A5 PolarHBondContact O-N 2.95Å; A5-C8 PolarHBondContact O-N 2.96Å; A5-K9 WeakPolarHBondContact O-CB 3.38Å; A5-K9 PolarHBondContact O-N 2.89Å
6E83.7Confident82.3Confident136 Ų13690.4 Ų90.464%0.63647%0.474SS*.Hα-helixtrans-63.3-43.4174.7-77.8173.7178.800112.2S2 S3 K9 S10S2-E6 PolarHBondContact O-N 3.17Å; S3-E6 PolarHBondContact O-N 3.36Å; E6-K9 WeakPolarHBondContact O-CB 3.45Å; E6-K9 PolarHBondContact O-N 3.21Å; E6-S10 PolarHBondContact O-N 3.06Å
7L87.1Confident82.5Confident81 Ų8189.5 Ų89.542%0.42448%0.477SS..Hα-helixtrans-64.4-43.1176.2-172.766.1000111.9S3 K9 S10 H11 F47S3-L7 WeakPolarHBondContact O-CB 3.46Å; S3-L7 PolarHBondContact O-N 3.03Å; L7-K9 VanDerWaalsContact C-N 3.31Å; L7-K9 PolarHBondContact O-N 3.45Å; L7-S10 PolarHBondContact O-N 2.85Å; L7-S10 PolarHBondContact O-OG 3.46Å; L7-H11 PolarHBondContact O-CD2 2.85Å; L7-H11 VanDerWaalsContact O-CD2 3.31Å; L7-H11 PolarHBondContact O-N 3.31Å; L7-H11 VanDerWaalsContact O-N 3.1Å; L7-F47 HydrophobicContact CD2-CE1 4.49Å; L7-F47 HydrophobicContact CD2-CE2 3.8Å; L7-F47 HydrophobicContact CD2-CZ 3.49Å; L7-F47 VanDerWaalsContact CD2-CZ 3.49Å; L7-F47 HydrophobicContact CG-CE1 4.21Å; L7-F47 HydrophobicContact CG-CE2 4.27Å; L7-F47 HydrophobicContact CG-CZ 3.66Å
8C84.9Confident82.7Confident19 Ų1985.3 Ų85.313%0.12845%0.454CS..Hα-helixtrans-60.7-41.4172.5-74.10000111.6R4 A5 H11 F12R4-C8 WeakPolarHBondContact O-CB 3.43Å; R4-C8 PolarHBondContact O-N 2.9Å; R4-C8 PolarHBondContact O-SG 3.44Å; R4-C8 VanDerWaalsContact O-SG 3.33Å; A5-C8 PolarHBondContact O-N 2.96Å; C8-H11 PolarHBondContact O-N 2.94Å; C8-F12 VanDerWaalsContact O-CB 3.25Å; C8-F12 WeakPolarHBondContact O-CB 3.3Å; C8-F12 PolarHBondContact O-N 3.21Å
9K86.2Confident82.8Confident151 Ų15182.1 Ų82.166%0.65744%0.441SS*.Hα-helixtrans-63-43.1177.2-174-179.1177.9-177.10111.7A5 E6 L7 F12 V13A5-K9 WeakPolarHBondContact O-CB 3.38Å; A5-K9 PolarHBondContact O-N 2.89Å; E6-K9 WeakPolarHBondContact O-CB 3.45Å; E6-K9 PolarHBondContact O-N 3.21Å; L7-K9 VanDerWaalsContact C-N 3.31Å; L7-K9 PolarHBondContact O-N 3.45Å; K9-F12 PolarHBondContact O-N 3.36Å; K9-V13 WeakPolarHBondContact O-CG2 3.48Å; K9-V13 PolarHBondContact O-N 2.98Å
10S88.8Confident82.5Confident54 Ų5481.5 Ų81.538%0.37845%0.447SS..Hα-helixtrans-63.9-44178.762.50000112E6 L7 K14E6-S10 PolarHBondContact O-N 3.06Å; L7-S10 PolarHBondContact O-N 2.85Å; L7-S10 PolarHBondContact O-OG 3.46Å; S10-K14 WeakPolarHBondContact O-CG 3.32Å; S10-K14 PolarHBondContact O-N 2.88Å; S10-K14 VanDerWaalsContact O-N 3.14Å
11H90.3Very high82Confident34 Ų3478.6 Ų78.616%0.15743%0.432CS..Hα-helixtrans-66.3-37.6175.2-80.5-76000112.1L7 C8 K14 F15 S44 F47 L48L7-H11 PolarHBondContact O-CD2 2.85Å; L7-H11 VanDerWaalsContact O-CD2 3.31Å; L7-H11 PolarHBondContact O-N 3.31Å; L7-H11 VanDerWaalsContact O-N 3.1Å; C8-H11 PolarHBondContact O-N 2.94Å; H11-K14 PolarHBondContact O-N 3.1Å; H11-F15 VanDerWaalsContact O-CB 3.27Å; H11-F15 WeakPolarHBondContact O-CB 3.25Å; H11-F15 PolarHBondContact O-N 3.1Å; H11-S44 PolarHBondContact ND1-OG 3.16Å; H11-S44 VanDerWaalsContact ND1-OG 3.11Å; H11-F47 HydrophobicContact CB-CD1 3.73Å; H11-F47 HydrophobicContact CB-CE1 4.31Å; H11-F47 HydrophobicContact CB-CG 4.49Å; H11-F47 AromaticContact CD2-CD1 3.29Å; H11-F47 WeakPolarHBondContact CD2-CD1 3.35Å; H11-F47 AromaticContact CD2-CE1 3.53Å; H11-F47 AromaticContact CD2-CG 3.61Å; H11-F47 AromaticContact CG-CD1 3.48Å; H11-F47 VanDerWaalsContact CG-CD1 3.48Å; H11-F47 AromaticContact CG-CG 3.86Å; H11-F47 AromaticContact NE2-CD1 3.93Å; H11-F47 AromaticContact NE2-CD2 3.93Å; H11-F47 AromaticContact NE2-CG 3.74Å; H11-L48 HydrophobicContact CB-CD2 3.97Å; H11-L48 HydrophobicContact CB-CG 4.02Å
12F87.8Confident82.4Confident80 Ų8076 Ų7635%0.35142%0.422SS..Hα-helixtrans-64.4-41.5178-167.2-103.2000112.4C8 K9 F15 L16 L48C8-F12 VanDerWaalsContact O-CB 3.25Å; C8-F12 WeakPolarHBondContact O-CB 3.3Å; C8-F12 PolarHBondContact O-N 3.21Å; K9-F12 PolarHBondContact O-N 3.36Å; F12-F15 PolarHBondContact O-N 3.21Å; F12-L16 HydrophobicContact CD1-CD1 3.75Å; F12-L16 HydrophobicContact CD1-CG 4.29Å; F12-L16 HydrophobicContact CE1-CD1 3.35Å; F12-L16 HydrophobicContact CE1-CG 4.03Å; F12-L16 HydrophobicContact CZ-CD1 3.98Å; F12-L16 HydrophobicContact CZ-CD2 4.46Å; F12-L16 HydrophobicContact CZ-CG 4.28Å; F12-L16 WeakPolarHBondContact O-CB 3.49Å; F12-L16 WeakPolarHBondContact O-CG 3.46Å; F12-L16 PolarHBondContact O-N 3.44Å; F12-L48 HydrophobicContact CB-CD1 4.48Å; F12-L48 HydrophobicContact CB-CD2 4.14Å; F12-L48 HydrophobicContact CD2-CD1 4.24Å; F12-L48 HydrophobicContact CD2-CD2 4.38Å
13V88.5Confident82.2Confident88 Ų8875.4 Ų75.453%0.53341%0.411SS..Hα-helixtrans-64.1-45.6175.1172.10000111.2K9 L16 S17K9-V13 WeakPolarHBondContact O-CG2 3.48Å; K9-V13 PolarHBondContact O-N 2.98Å; V13-L16 PolarHBondContact O-N 3.42Å; V13-S17 PolarHBondContact O-N 3.3Å
14K88.5Confident81.2Confident124 Ų12478.5 Ų78.554%0.53943%0.427SS..Hα-helixtrans-59.8-47.8175.4-73.5-177.3177.9-171.90111.4S10 H11 L16 S17 I18S10-K14 WeakPolarHBondContact O-CG 3.32Å; S10-K14 PolarHBondContact O-N 2.88Å; S10-K14 VanDerWaalsContact O-N 3.14Å; H11-K14 PolarHBondContact O-N 3.1Å; K14-L16 PolarHBondContact O-N 3.48Å; K14-S17 PolarHBondContact O-N 3.14Å; K14-S17 PolarHBondContact O-OG 3.16Å; K14-I18 PolarHBondContact O-N 2.78Å
15F91.3Very high80.2Confident5 Ų576.2 Ų76.22%0.02243%0.434CS..Hα-helixtrans-57.5-49.8177.3173.6-108.1000112.1H11 F12 S17 I18 A19 P45 L48 A58 V59 Y62H11-F15 VanDerWaalsContact O-CB 3.27Å; H11-F15 WeakPolarHBondContact O-CB 3.25Å; H11-F15 PolarHBondContact O-N 3.1Å; F12-F15 PolarHBondContact O-N 3.21Å; F15-S17 VanDerWaalsContact C-N 3.29Å; F15-S17 PolarHBondContact O-N 3.42Å; F15-I18 PolarHBondContact O-N 3.04Å; F15-I18 VanDerWaalsContact O-N 3.12Å; F15-A19 HydrophobicContact CD1-CB 4.48Å; F15-A19 HydrophobicContact CD2-CB 4.23Å; F15-A19 HydrophobicContact CE1-CB 4.08Å; F15-A19 HydrophobicContact CE2-CB 3.81Å; F15-A19 HydrophobicContact CZ-CB 3.73Å; F15-A19 VanDerWaalsContact O-CB 3.26Å; F15-A19 WeakPolarHBondContact O-CB 3.36Å; F15-A19 PolarHBondContact O-N 3.07Å; F15-P45 HydrophobicContact CD2-CB 4.21Å; F15-P45 HydrophobicContact CD2-CG 3.79Å; F15-P45 HydrophobicContact CE2-CB 4.24Å; F15-P45 HydrophobicContact CE2-CG 4.08Å; F15-L48 HydrophobicContact CB-CD1 3.37Å; F15-L48 HydrophobicContact CD1-CD1 3.94Å; F15-L48 HydrophobicContact CD2-CD1 4.42Å; F15-L48 HydrophobicContact CG-CD1 3.65Å; F15-A58 HydrophobicContact CE1-CB 3.97Å; F15-A58 HydrophobicContact CZ-CB 4.36Å; F15-V59 HydrophobicContact CE2-CG2 4.08Å; F15-V59 HydrophobicContact CZ-CG2 4.01Å; F15-Y62 AromaticContact CE2-CD1 3.84Å; F15-Y62 HydrophobicContact CE2-CD1 3.84Å; F15-Y62 AromaticContact CE2-CG 3.82Å; F15-Y62 HydrophobicContact CE2-CG 3.82Å; F15-Y62 HydrophobicContact CZ-CG 4.27Å
16L86.8Confident79.4Confident79 Ų7977.1 Ų77.141%0.41442%0.423SS..Hα-helixtrans-61.6-36.5178.2-75.4178.3000112.7F12 V13 K14 I18 A20F12-L16 HydrophobicContact CD1-CD1 3.75Å; F12-L16 HydrophobicContact CD1-CG 4.29Å; F12-L16 HydrophobicContact CE1-CD1 3.35Å; F12-L16 HydrophobicContact CE1-CG 4.03Å; F12-L16 HydrophobicContact CZ-CD1 3.98Å; F12-L16 HydrophobicContact CZ-CD2 4.46Å; F12-L16 HydrophobicContact CZ-CG 4.28Å; F12-L16 WeakPolarHBondContact O-CB 3.49Å; F12-L16 WeakPolarHBondContact O-CG 3.46Å; F12-L16 PolarHBondContact O-N 3.44Å; V13-L16 PolarHBondContact O-N 3.42Å; K14-L16 PolarHBondContact O-N 3.48Å; L16-I18 PolarHBondContact O-N 2.94Å; L16-A20 VanDerWaalsContact O-CB 3.3Å; L16-A20 WeakPolarHBondContact O-CB 3.44Å; L16-A20 PolarHBondContact O-N 3.49Å; L16-A20 VanDerWaalsContact O-N 3.07Å
17S86.2Confident78.3Confident75 Ų7574.7 Ų74.752%0.52442%0.419SS..Hα-helixtrans-64.6-20.9178.273.50000113.9V13 K14 F15 V21V13-S17 PolarHBondContact O-N 3.3Å; K14-S17 PolarHBondContact O-N 3.14Å; K14-S17 PolarHBondContact O-OG 3.16Å; F15-S17 VanDerWaalsContact C-N 3.29Å; F15-S17 PolarHBondContact O-N 3.42Å; S17-V21 VanDerWaalsContact O-CG2 3.25Å; S17-V21 WeakPolarHBondContact O-CG2 3.38Å
18I86.1Confident77.4Confident13 Ų1373.9 Ų73.97%0.06742%0.424CS..Hα-helixtrans-104.1-40.9-179.7-60.6172000111.1K14 F15 L16 V21 W33 Y36 E40 L41 Y62K14-I18 PolarHBondContact O-N 2.78Å; F15-I18 PolarHBondContact O-N 3.04Å; F15-I18 VanDerWaalsContact O-N 3.12Å; L16-I18 PolarHBondContact O-N 2.94Å; I18-V21 WeakPolarHBondContact O-CG2 3.45Å; I18-W33 PolarHBondContact O-NE1 2.92Å; I18-Y36 HydrophobicContact CD1-CD1 4.45Å; I18-Y36 HydrophobicContact CG1-CD1 4.21Å; I18-Y36 HydrophobicContact CG1-CE1 3.96Å; I18-Y36 HydrophobicContact CG2-CD2 4.23Å; I18-Y36 HydrophobicContact CG2-CE2 4.27Å; I18-Y36 HydrophobicContact CG2-CG 4.44Å; I18-E40 HydrophobicContact CD1-CB 3.97Å; I18-E40 WeakPolarHBondContact CD1-O 3.19Å; I18-L41 HydrophobicContact CG2-CD2 4.04Å; I18-Y62 HydrophobicContact CG2-CE2 4.38Å
19A84Confident76.8Confident25 Ų2575.8 Ų75.821%0.20743%0.433CS..Hα-helixtrans-76.9-32.5-175.400000113.1F15 V21 Y62F15-A19 HydrophobicContact CD1-CB 4.48Å; F15-A19 HydrophobicContact CD2-CB 4.23Å; F15-A19 HydrophobicContact CE1-CB 4.08Å; F15-A19 HydrophobicContact CE2-CB 3.81Å; F15-A19 HydrophobicContact CZ-CB 3.73Å; F15-A19 VanDerWaalsContact O-CB 3.26Å; F15-A19 WeakPolarHBondContact O-CB 3.36Å; F15-A19 PolarHBondContact O-N 3.07Å; A19-V21 VanDerWaalsContact C-N 3.34Å; A19-V21 PolarHBondContact O-N 3.44Å; A19-Y62 HydrophobicContact CB-CD2 3.65Å; A19-Y62 HydrophobicContact CB-CE2 4.26Å; A19-Y62 HydrophobicContact CB-CG 4.14Å
20A78Confident76.3Confident69 Ų6970.7 Ų70.757%0.5742%0.415SS*.THydrogen-bonded Turntrans-94.722.4-176.800000113.8L16 N22L16-A20 VanDerWaalsContact O-CB 3.3Å; L16-A20 WeakPolarHBondContact O-CB 3.44Å; L16-A20 PolarHBondContact O-N 3.49Å; L16-A20 VanDerWaalsContact O-N 3.07Å; A20-N22 PolarHBondContact O-N 3.31Å
21V71.5Confident75.9Confident22 Ų2268.4 Ų68.413%0.13340%0.399CS..  trans-71.1100.2-177.1175.90000110.1S17 I18 A19 I23 L32 Y36S17-V21 VanDerWaalsContact O-CG2 3.25Å; S17-V21 WeakPolarHBondContact O-CG2 3.38Å; I18-V21 WeakPolarHBondContact O-CG2 3.45Å; A19-V21 VanDerWaalsContact C-N 3.34Å; A19-V21 PolarHBondContact O-N 3.44Å; V21-I23 HydrophobicContact CG1-CD1 3.76Å; V21-I23 HydrophobicContact CG1-CG1 3.67Å; V21-L32 HydrophobicContact CG1-CD2 4.49Å; V21-Y36 WeakPolarHBondContact CG2-OH 3.43Å
22N63.4Low75.4Confident156 Ų15668.2 Ų68.283%0.83440%0.399SS*.  trans-104.994.5170.6-86.1-22.4000109.5A20A20-N22 PolarHBondContact O-N 3.31Å
23I59.5Low75.2Confident77 Ų7764.9 Ų64.940%0.39538%0.384SS..  trans-90.2121.3176.9-59.2170.3000108.9V21 S25 R26 L32V21-I23 HydrophobicContact CG1-CD1 3.76Å; V21-I23 HydrophobicContact CG1-CG1 3.67Å; I23-S25 WeakPolarHBondContact CG2-O 3.45Å; I23-R26 HydrophobicContact CG2-CB 4.48Å; I23-L32 HydrophobicContact CB-CD2 4.31Å; I23-L32 HydrophobicContact CD1-CD2 4.17Å; I23-L32 HydrophobicContact CG1-CD2 4.34Å
24T56.5Low75Confident149 Ų14962.6 Ų62.691%0.91437%0.372SS*.SBendtrans-77.6-21.1-177.3500000114.1
25S55.9Low74.8Confident99 Ų9962.8 Ų62.869%0.69238%0.375SS*.SBendtrans-132.1106.8179.256.60000111.1I23I23-S25 WeakPolarHBondContact CG2-O 3.45Å
26R62.7Low74.6Confident83 Ų8364.5 Ų64.531%0.31338%0.382SS..  trans-138.5141.2-171.6-174-170.2164.3-168.22.7111.4I23 A28 T30 E69I23-R26 HydrophobicContact CG2-CB 4.48Å; R26-A28 PolarHBondContact O-N 2.96Å; R26-T30 PolarHBondContact NE-O 3.15Å; R26-T30 PolarHBondContact NH2-O 3.37Å; R26-E69 IonicContact CZ-OE1 2.72Å; R26-E69 IonicContact NH1-OE1 3.22Å; R26-E69 PolarHBondContact NH1-OE1 3.21Å; R26-E69 VanDerWaalsContact NH2-CD 3.34Å; R26-E69 IonicContact NH2-OE1 3.37Å; R26-E69 PolarHBondContact NH2-OE1 3.18Å; R26-E69 IonicContact NH2-OE2 4Å
27P61.1Low74.8Confident85 Ų8563 Ų6355%0.55238%0.377SS*.  trans-60131.4165-15.127.5000109.7N29 T30P27-N29 PolarHBondContact O-N 3.15Å; P27-T30 PolarHBondContact O-N 3.33Å
28A67.6Low75Confident64 Ų6462.4 Ų62.453%0.52937%0.365SS..THydrogen-bonded Turntrans-63.46.5-175.800000115.4R26 F73 R76R26-A28 PolarHBondContact O-N 2.96Å; A28-F73 WeakPolarHBondContact O-CE1 3.47Å; A28-R76 PolarHBondContact O-NH1 3.01Å
29N71.9Confident75.2Confident60 Ų6066.3 Ų66.332%0.32139%0.386SS..THydrogen-bonded Turntrans-129.71.5-167.2-59.420.5000114.6P27 F83 T84 Y85 K86P27-N29 PolarHBondContact O-N 3.15Å; N29-F83 HydrophobicContact CB-CE2 4.24Å; N29-F83 HydrophobicContact CB-CZ 4.18Å; N29-F83 WeakPolarHBondContact OD1-CE2 3.29Å; N29-T84 PolarHBondContact ND2-O 2.83Å; N29-Y85 WeakPolarHBondContact O-CA 3.42Å; N29-Y85 VanDerWaalsContact O-CB 3.24Å; N29-Y85 WeakPolarHBondContact O-CB 3.49Å; N29-K86 PolarHBondContact O-N 2.89Å; N29-K86 VanDerWaalsContact O-N 3.14Å
30T76.6Confident75.4Confident43 Ų4369.6 Ų69.626%0.26440%0.398SS..BIsolated β-bridgetrans-124.7117.1-17350.50000111.5R26 P27 K86R26-T30 PolarHBondContact NE-O 3.15Å; R26-T30 PolarHBondContact NH2-O 3.37Å; P27-T30 PolarHBondContact O-N 3.33Å; T30-K86 HydrophobicContact CG2-CB 4.46Å
31S79Confident76Confident7 Ų766.3 Ų66.35%0.04937%0.37CS..  trans-46.9141.6-178.41740000113.4W33 S34 E69 K86S31-W33 PolarHBondContact O-N 2.84Å; S31-W33 VanDerWaalsContact O-N 3.15Å; S31-W33 PolarHBondContact OG-N 2.98Å; S31-S34 WeakPolarHBondContact O-CB 3.24Å; S31-S34 PolarHBondContact O-N 3.47Å; S31-S34 VanDerWaalsContact O-N 3.17Å; S31-S34 PolarHBondContact O-OG 2.83Å; S31-E69 VanDerWaalsContact CA-OE2 3.25Å; S31-E69 WeakPolarHBondContact CA-OE2 3.37Å; S31-E69 VanDerWaalsContact CB-OE2 3.28Å; S31-E69 WeakPolarHBondContact CB-OE2 3.47Å; S31-E69 PolarHBondContact OG-OE2 3.3Å; S31-K86 PolarHBondContact N-O 2.84Å
32L80Confident77.1Confident30 Ų3065.4 Ų65.416%0.15737%0.365CS..THydrogen-bonded Turntrans-55.1-30.1173.9-75168.4000111V21 I23 E69V21-L32 HydrophobicContact CG1-CD2 4.49Å; I23-L32 HydrophobicContact CB-CD2 4.31Å; I23-L32 HydrophobicContact CD1-CD2 4.17Å; I23-L32 HydrophobicContact CG1-CD2 4.34Å; L32-E69 WeakPolarHBondContact CG-OE1 3.29Å; L32-E69 PolarHBondContact N-OE1 3.09Å; L32-E69 PolarHBondContact N-OE2 2.84Å
33W85.1Confident78.5Confident10 Ų1062.3 Ų62.34%0.03835%0.348CS..THydrogen-bonded Turntrans-103.20.4-174.3-61.2-75.6000114.1I18 S31 Q35 Y36 L41 Y62 N65 L66 E69 V90I18-W33 PolarHBondContact O-NE1 2.92Å; S31-W33 PolarHBondContact O-N 2.84Å; S31-W33 VanDerWaalsContact O-N 3.15Å; S31-W33 PolarHBondContact OG-N 2.98Å; W33-Q35 PolarHBondContact O-N 3.37Å; W33-Q35 VanDerWaalsContact O-N 3.08Å; W33-Y36 HydrophobicContact CB-CD2 4.29Å; W33-Y36 PolarHBondContact O-N 3.11Å; W33-Y36 VanDerWaalsContact O-N 3.13Å; W33-L41 HydrophobicContact CB-CD2 3.8Å; W33-L41 HydrophobicContact CG-CD2 4.15Å; W33-Y62 HydrophobicContact CZ2-CE2 4.44Å; W33-Y62 AromaticContact NE1-CE2 3.62Å; W33-N65 HydrophobicContact CH2-CB 3.79Å; W33-N65 HydrophobicContact CZ2-CB 4.42Å; W33-L66 HydrophobicContact CB-CD2 3.93Å; W33-L66 HydrophobicContact CD2-CD2 3.36Å; W33-L66 HydrophobicContact CE3-CD2 3.41Å; W33-L66 VanDerWaalsContact CE3-CD2 3.41Å; W33-L66 HydrophobicContact CE3-CG 4.48Å; W33-L66 HydrophobicContact CG-CD2 3.59Å; W33-L66 HydrophobicContact CZ3-CD2 4.09Å; W33-E69 VanDerWaalsContact CE3-OE2 3.3Å; W33-E69 HydrophobicContact CZ3-CB 4.12Å; W33-E69 HydrophobicContact CZ3-CG 4.5Å; W33-E69 WeakPolarHBondContact CZ3-OE2 3.32Å; W33-V90 HydrophobicContact CB-CG2 3.63Å
34S83.5Confident80Confident40 Ų4059 Ų5928%0.2833%0.332SS..THydrogen-bonded Turntrans-61.8-20-177.861.10000114.7S31S31-S34 WeakPolarHBondContact O-CB 3.24Å; S31-S34 PolarHBondContact O-N 3.47Å; S31-S34 VanDerWaalsContact O-N 3.17Å; S31-S34 PolarHBondContact O-OG 2.83Å
35Q84.2Confident81.8Confident128 Ų12852 Ų5260%0.59829%0.289SS*.THydrogen-bonded Turntrans-85.5-15.5-179.465.9-1734.500113.9W33W33-Q35 PolarHBondContact O-N 3.37Å; W33-Q35 VanDerWaalsContact O-N 3.08Å
36Y87.3Confident83.6Confident41 Ų4148.5 Ų48.516%0.16126%0.262CS..SBendtrans-89.6148.2-178.5-60.3-77.6000110.9I18 V21 W33 L41I18-Y36 HydrophobicContact CD1-CD1 4.45Å; I18-Y36 HydrophobicContact CG1-CD1 4.21Å; I18-Y36 HydrophobicContact CG1-CE1 3.96Å; I18-Y36 HydrophobicContact CG2-CD2 4.23Å; I18-Y36 HydrophobicContact CG2-CE2 4.27Å; I18-Y36 HydrophobicContact CG2-CG 4.44Å; V21-Y36 WeakPolarHBondContact CG2-OH 3.43Å; W33-Y36 HydrophobicContact CB-CD2 4.29Å; W33-Y36 PolarHBondContact O-N 3.11Å; W33-Y36 VanDerWaalsContact O-N 3.13Å; Y36-L41 HydrophobicContact CD2-CD2 4.21Å; Y36-L41 HydrophobicContact CG-CD2 4.27Å
37S90Very high85.1Confident46 Ų4646.7 Ų46.732%0.32226%0.257SS..  trans-71.3160.8172.160.50000111.6D39 E40 L41S37-D39 VanDerWaalsContact C-N 3.29Å; S37-D39 PolarHBondContact O-N 3.42Å; S37-E40 PolarHBondContact N-OE2 3.21Å; S37-E40 PolarHBondContact O-N 3.02Å; S37-E40 VanDerWaalsContact OG-CD 3.25Å; S37-E40 WeakPolarHBondContact OG-CG 3.35Å; S37-E40 PolarHBondContact OG-OE2 3.44Å; S37-L41 WeakPolarHBondContact O-CG 3.27Å; S37-L41 PolarHBondContact O-N 3.22Å
38F91.2Very high86.5Confident63 Ų6342.6 Ų42.628%0.27623%0.23SC..Hα-helixtrans-54-44.6176.4175.3-97000112.6E40 L41 T42 F89 E92 E96F38-E40 PolarHBondContact O-N 3.48Å; F38-L41 PolarHBondContact O-N 3.14Å; F38-T42 HydrophobicContact CD2-CG2 4.3Å; F38-T42 HydrophobicContact CE1-CG2 4.45Å; F38-T42 HydrophobicContact CE2-CG2 3.96Å; F38-T42 HydrophobicContact CZ-CG2 4.05Å; F38-T42 WeakPolarHBondContact O-CG2 3.49Å; F38-T42 PolarHBondContact O-N 3.45Å; F38-T42 PolarHBondContact O-OG1 3.5Å; F38-F89 HydrophobicContact CB-CB 4.07Å; F38-F89 HydrophobicContact CB-CD1 4.36Å; F38-F89 HydrophobicContact CB-CG 4.12Å; F38-E92 HydrophobicContact CD2-CB 3.98Å; F38-E92 HydrophobicContact CE2-CB 3.94Å; F38-E96 HydrophobicContact CE2-CB 4.23Å; F38-E96 HydrophobicContact CZ-CB 3.95Å; F38-E96 HydrophobicContact CZ-CG 4.03Å
39D90.1Very high87.7Confident95 Ų9539.6 Ų39.651%0.50821%0.205SC..Hα-helixtrans-65.6-40.1-178.7-58.5-24.8000111.7S37 L41 T42 D43S37-D39 VanDerWaalsContact C-N 3.29Å; S37-D39 PolarHBondContact O-N 3.42Å; D39-L41 VanDerWaalsContact C-N 3.29Å; D39-L41 PolarHBondContact O-N 2.83Å; D39-T42 PolarHBondContact O-N 3.38Å; D39-D43 VanDerWaalsContact O-CB 3.29Å; D39-D43 WeakPolarHBondContact O-CB 3.2Å; D39-D43 PolarHBondContact O-N 3.15Å
40E89.1Confident88.5Confident95 Ų9541.1 Ų41.144%0.44421%0.209SC..Hα-helixtrans-62.6-37.6176.5-75.1170.5142.500112.1I18 S37 F38 T42I18-E40 HydrophobicContact CD1-CB 3.97Å; I18-E40 WeakPolarHBondContact CD1-O 3.19Å; S37-E40 PolarHBondContact N-OE2 3.21Å; S37-E40 PolarHBondContact O-N 3.02Å; S37-E40 VanDerWaalsContact OG-CD 3.25Å; S37-E40 WeakPolarHBondContact OG-CG 3.35Å; S37-E40 PolarHBondContact OG-OE2 3.44Å; F38-E40 PolarHBondContact O-N 3.48Å; E40-T42 VanDerWaalsContact C-N 3.34Å
41L90.2Very high89.1Confident0 Ų041.6 Ų41.60%021%0.21CC..Hα-helixtrans-75.7-19.1179.3-65.1174.6000113.6I18 W33 Y36 S37 F38 D39 P45 Y62 F89 V90 A93I18-L41 HydrophobicContact CG2-CD2 4.04Å; W33-L41 HydrophobicContact CB-CD2 3.8Å; W33-L41 HydrophobicContact CG-CD2 4.15Å; Y36-L41 HydrophobicContact CD2-CD2 4.21Å; Y36-L41 HydrophobicContact CG-CD2 4.27Å; S37-L41 WeakPolarHBondContact O-CG 3.27Å; S37-L41 PolarHBondContact O-N 3.22Å; F38-L41 PolarHBondContact O-N 3.14Å; D39-L41 VanDerWaalsContact C-N 3.29Å; D39-L41 PolarHBondContact O-N 2.83Å; L41-P45 WeakPolarHBondContact O-CG 3.47Å; L41-Y62 WeakPolarHBondContact CD2-OH 3.28Å; L41-F89 HydrophobicContact CD1-CB 4.43Å; L41-V90 HydrophobicContact CD1-CG2 4.17Å; L41-A93 HydrophobicContact CB-CB 3.8Å; L41-A93 HydrophobicContact CD1-CB 4.1Å
42T94.3Very high89.5Confident3 Ų344.2 Ų44.22%0.01822%0.223CC..Hα-helixtrans-119-45.9-168.555.40000113.8F38 D39 E40 S44 P45 I46 A93 E96 L97F38-T42 HydrophobicContact CD2-CG2 4.3Å; F38-T42 HydrophobicContact CE1-CG2 4.45Å; F38-T42 HydrophobicContact CE2-CG2 3.96Å; F38-T42 HydrophobicContact CZ-CG2 4.05Å; F38-T42 WeakPolarHBondContact O-CG2 3.49Å; F38-T42 PolarHBondContact O-N 3.45Å; F38-T42 PolarHBondContact O-OG1 3.5Å; D39-T42 PolarHBondContact O-N 3.38Å; E40-T42 VanDerWaalsContact C-N 3.34Å; T42-S44 PolarHBondContact O-N 2.96Å; T42-P45 VanDerWaalsContact O-CD 3.32Å; T42-P45 WeakPolarHBondContact O-CD 3.41Å; T42-I46 WeakPolarHBondContact O-CB 3.34Å; T42-I46 WeakPolarHBondContact O-CG1 3.16Å; T42-I46 PolarHBondContact O-N 3.44Å; T42-A93 HydrophobicContact CG2-CB 3.73Å; T42-E96 HydrophobicContact CG2-CB 4.21Å; T42-E96 HydrophobicContact CG2-CG 4.35Å; T42-L97 HydrophobicContact CG2-CG 4.39Å
43D92.7Very high89.8Confident91 Ų9146.7 Ų46.749%0.48724%0.241SC..Hα-helixtrans-58.3-52.5-169.6-82.3-14.6000113.3D39 F47D39-D43 VanDerWaalsContact O-CB 3.29Å; D39-D43 WeakPolarHBondContact O-CB 3.2Å; D39-D43 PolarHBondContact O-N 3.15Å; D43-F47 VanDerWaalsContact O-CB 3.24Å; D43-F47 WeakPolarHBondContact O-CB 3.18Å; D43-F47 PolarHBondContact O-N 3.35Å
44S92.2Very high89.8Confident6 Ų649.3 Ų49.34%0.04227%0.271CS..Hα-helixtrans-70-46-176.6-62.80000112.6H11 T42 I46 F47 L48H11-S44 PolarHBondContact ND1-OG 3.16Å; H11-S44 VanDerWaalsContact ND1-OG 3.11Å; T42-S44 PolarHBondContact O-N 2.96Å; S44-I46 PolarHBondContact O-N 3.08Å; S44-F47 PolarHBondContact O-N 3.23Å; S44-L48 WeakPolarHBondContact O-CB 3.32Å; S44-L48 WeakPolarHBondContact O-CG 3.29Å; S44-L48 PolarHBondContact O-N 3.39Å
45P93.2Very high90.1Very high3 Ų347.5 Ų47.52%0.01926%0.258CS..Hα-helixtrans-56-47.6171.4-2227.5000113.5F15 L41 T42 F47 L48 F49 V59 Y62 L97F15-P45 HydrophobicContact CD2-CB 4.21Å; F15-P45 HydrophobicContact CD2-CG 3.79Å; F15-P45 HydrophobicContact CE2-CB 4.24Å; F15-P45 HydrophobicContact CE2-CG 4.08Å; L41-P45 WeakPolarHBondContact O-CG 3.47Å; T42-P45 VanDerWaalsContact O-CD 3.32Å; T42-P45 WeakPolarHBondContact O-CD 3.41Å; P45-F47 PolarHBondContact O-N 3.08Å; P45-L48 PolarHBondContact O-N 3.01Å; P45-F49 WeakPolarHBondContact O-CB 3.35Å; P45-F49 PolarHBondContact O-N 3.2Å; P45-V59 HydrophobicContact CB-CG1 3.98Å; P45-V59 HydrophobicContact CB-CG2 4.38Å; P45-Y62 HydrophobicContact CB-CD1 4.44Å; P45-Y62 HydrophobicContact CB-CE1 4.46Å; P45-Y62 HydrophobicContact CG-CD1 4.16Å; P45-Y62 HydrophobicContact CG-CE1 3.8Å; P45-L97 HydrophobicContact CB-CD2 3.75Å; P45-L97 HydrophobicContact CG-CD2 4.43Å
46I94.6Very high90.5Very high25 Ų2543.1 Ų43.113%0.12824%0.237CC..Hα-helixtrans-63.3-45.3-179.3-67.4170.1000110.6T42 S44 L48 F49 K50 E96 L97 A100T42-I46 WeakPolarHBondContact O-CB 3.34Å; T42-I46 WeakPolarHBondContact O-CG1 3.16Å; T42-I46 PolarHBondContact O-N 3.44Å; S44-I46 PolarHBondContact O-N 3.08Å; I46-L48 PolarHBondContact O-N 3.18Å; I46-F49 PolarHBondContact O-N 2.95Å; I46-K50 HydrophobicContact CG2-CD 3.99Å; I46-K50 WeakPolarHBondContact O-CG 3.38Å; I46-K50 PolarHBondContact O-N 2.97Å; I46-E96 HydrophobicContact CD1-CG 3.92Å; I46-L97 HydrophobicContact CD1-CD2 4.29Å; I46-L97 HydrophobicContact CG1-CD2 3.68Å; I46-A100 HydrophobicContact CD1-CB 4.33Å; I46-A100 HydrophobicContact CG1-CB 4.03Å; I46-A100 HydrophobicContact CG2-CB 4.32Å
47F92.4Very high90.7Very high45 Ų4544.9 Ų44.920%0.19725%0.254CS..Hα-helixtrans-59.4-47.8178.1-179.1-88.8000111.6L7 H11 D43 S44 P45 N51L7-F47 HydrophobicContact CD2-CE1 4.49Å; L7-F47 HydrophobicContact CD2-CE2 3.8Å; L7-F47 HydrophobicContact CD2-CZ 3.49Å; L7-F47 VanDerWaalsContact CD2-CZ 3.49Å; L7-F47 HydrophobicContact CG-CE1 4.21Å; L7-F47 HydrophobicContact CG-CE2 4.27Å; L7-F47 HydrophobicContact CG-CZ 3.66Å; H11-F47 HydrophobicContact CB-CD1 3.73Å; H11-F47 HydrophobicContact CB-CE1 4.31Å; H11-F47 HydrophobicContact CB-CG 4.49Å; H11-F47 AromaticContact CD2-CD1 3.29Å; H11-F47 WeakPolarHBondContact CD2-CD1 3.35Å; H11-F47 AromaticContact CD2-CE1 3.53Å; H11-F47 AromaticContact CD2-CG 3.61Å; H11-F47 AromaticContact CG-CD1 3.48Å; H11-F47 VanDerWaalsContact CG-CD1 3.48Å; H11-F47 AromaticContact CG-CG 3.86Å; H11-F47 AromaticContact NE2-CD1 3.93Å; H11-F47 AromaticContact NE2-CD2 3.93Å; H11-F47 AromaticContact NE2-CG 3.74Å; D43-F47 VanDerWaalsContact O-CB 3.24Å; D43-F47 WeakPolarHBondContact O-CB 3.18Å; D43-F47 PolarHBondContact O-N 3.35Å; S44-F47 PolarHBondContact O-N 3.23Å; P45-F47 PolarHBondContact O-N 3.08Å; F47-N51 HydrophobicContact CE1-CB 4.41Å; F47-N51 WeakPolarHBondContact CE2-ND2 3.42Å; F47-N51 VanDerWaalsContact O-CB 3.3Å; F47-N51 WeakPolarHBondContact O-CB 3.14Å; F47-N51 PolarHBondContact O-N 3.5Å; F47-N51 PolarHBondContact O-ND2 2.97Å
48L92Very high90.7Very high0 Ų044.5 Ų44.50%026%0.255CS..Hα-helixtrans-66.4-43.1179.9-71.2172.8000111.7H11 F12 F15 S44 P45 I46 K50 N51 L52 S55 V59H11-L48 HydrophobicContact CB-CD2 3.97Å; H11-L48 HydrophobicContact CB-CG 4.02Å; F12-L48 HydrophobicContact CB-CD1 4.48Å; F12-L48 HydrophobicContact CB-CD2 4.14Å; F12-L48 HydrophobicContact CD2-CD1 4.24Å; F12-L48 HydrophobicContact CD2-CD2 4.38Å; F15-L48 HydrophobicContact CB-CD1 3.37Å; F15-L48 HydrophobicContact CD1-CD1 3.94Å; F15-L48 HydrophobicContact CD2-CD1 4.42Å; F15-L48 HydrophobicContact CG-CD1 3.65Å; S44-L48 WeakPolarHBondContact O-CB 3.32Å; S44-L48 WeakPolarHBondContact O-CG 3.29Å; S44-L48 PolarHBondContact O-N 3.39Å; P45-L48 PolarHBondContact O-N 3.01Å; I46-L48 PolarHBondContact O-N 3.18Å; L48-K50 PolarHBondContact O-N 2.94Å; L48-N51 PolarHBondContact O-N 3.39Å; L48-L52 HydrophobicContact CD2-CD2 4.28Å; L48-L52 WeakPolarHBondContact O-CA 3.37Å; L48-L52 WeakPolarHBondContact O-CB 3.26Å; L48-L52 PolarHBondContact O-N 3.22Å; L48-S55 PolarHBondContact O-OG 2.79Å; L48-S55 VanDerWaalsContact O-OG 3.09Å; L48-V59 HydrophobicContact CB-CG2 4.45Å
49F92Very high90.8Very high1 Ų141.5 Ų41.50%0.00424%0.241CC..Hα-helixtrans-59.8-45.4179.7-175.6-95.9000112.3P45 I46 R56 V59 L60 F101 F104 F111P45-F49 WeakPolarHBondContact O-CB 3.35Å; P45-F49 PolarHBondContact O-N 3.2Å; I46-F49 PolarHBondContact O-N 2.95Å; F49-R56 HydrophobicContact CD2-CB 4.13Å; F49-R56 HydrophobicContact CD2-CG 3.96Å; F49-R56 HydrophobicContact CE2-CB 4.16Å; F49-R56 HydrophobicContact CE2-CG 4.18Å; F49-R56 PolarHBondContact O-NE 3.35Å; F49-V59 HydrophobicContact CB-CB 4.47Å; F49-V59 HydrophobicContact CB-CG1 4.16Å; F49-V59 HydrophobicContact CB-CG2 4.38Å; F49-V59 HydrophobicContact CD2-CB 4.12Å; F49-V59 HydrophobicContact CD2-CG1 4.01Å; F49-V59 HydrophobicContact CG-CG1 4.43Å; F49-L60 HydrophobicContact CE2-CD2 4.43Å; F49-L60 HydrophobicContact CE2-CG 4.44Å; F49-F101 AromaticContact CD1-CD1 3.97Å; F49-F101 HydrophobicContact CD1-CD1 3.97Å; F49-F101 HydrophobicContact CD1-CE1 4.2Å; F49-F101 HydrophobicContact CD2-CD1 4.08Å; F49-F101 AromaticContact CD2-CE1 3.66Å; F49-F101 HydrophobicContact CD2-CE1 3.66Å; F49-F101 AromaticContact CE1-CD1 3.5Å; F49-F101 HydrophobicContact CE1-CD1 3.5Å; F49-F101 HydrophobicContact CE1-CE1 4.08Å; F49-F101 HydrophobicContact CE1-CG 4.48Å; F49-F101 AromaticContact CE2-CD1 3.63Å; F49-F101 HydrophobicContact CE2-CD1 3.63Å; F49-F101 AromaticContact CE2-CE1 3.54Å; F49-F101 HydrophobicContact CE2-CE1 3.54Å; F49-F101 HydrophobicContact CE2-CZ 4.42Å; F49-F101 HydrophobicContact CG-CD1 4.22Å; F49-F101 AromaticContact CG-CE1 3.99Å; F49-F101 HydrophobicContact CG-CE1 3.99Å; F49-F101 HydrophobicContact CZ-CB 4.48Å; F49-F101 AromaticContact CZ-CD1 3.31Å; F49-F101 HydrophobicContact CZ-CD1 3.31Å; F49-F101 AromaticContact CZ-CE1 3.75Å; F49-F101 HydrophobicContact CZ-CE1 3.75Å; F49-F101 HydrophobicContact CZ-CG 4.12Å; F49-F104 HydrophobicContact CD1-CB 4.4Å; F49-F104 HydrophobicContact CD1-CG 4.32Å; F49-F104 HydrophobicContact CE1-CB 3.62Å; F49-F104 AromaticContact CE1-CD1 3.78Å; F49-F104 HydrophobicContact CE1-CD1 3.78Å; F49-F104 HydrophobicContact CE1-CD2 4.31Å; F49-F104 AromaticContact CE1-CG 3.63Å; F49-F104 HydrophobicContact CE1-CG 3.63Å; F49-F104 HydrophobicContact CZ-CD1 4.15Å; F49-F104 HydrophobicContact CZ-CG 4.44Å; F49-F111 HydrophobicContact CE1-CE1 4.48Å; F49-F111 HydrophobicContact CE2-CE1 4.08Å; F49-F111 HydrophobicContact CE2-CE2 4.2Å; F49-F111 AromaticContact CE2-CZ 3.54Å; F49-F111 HydrophobicContact CE2-CZ 3.54Å; F49-F111 HydrophobicContact CZ-CD1 4.24Å; F49-F111 AromaticContact CZ-CE1 3.44Å; F49-F111 HydrophobicContact CZ-CE1 3.44Å; F49-F111 VanDerWaalsContact CZ-CE1 3.44Å; F49-F111 HydrophobicContact CZ-CE2 4.14Å; F49-F111 AromaticContact CZ-CZ 3.38Å; F49-F111 HydrophobicContact CZ-CZ 3.38Å
50K90Very high91Very high91 Ų9137.3 Ų37.340%0.39622%0.219SC..Hα-helixtrans-70.7-41.7179-70.8178.6177.3174.70112.4I46 L48I46-K50 HydrophobicContact CG2-CD 3.99Å; I46-K50 WeakPolarHBondContact O-CG 3.38Å; I46-K50 PolarHBondContact O-N 2.97Å; L48-K50 PolarHBondContact O-N 2.94Å
51N89.2Confident91.2Very high54 Ų5437.8 Ų37.829%0.28922%0.221SC..Hα-helixtrans-97.7-24.7-168.8-71.2-74.1000115.9R4 F47 L48R4-N51 PolarHBondContact NH2-OD1 3.33Å; F47-N51 HydrophobicContact CE1-CB 4.41Å; F47-N51 WeakPolarHBondContact CE2-ND2 3.42Å; F47-N51 VanDerWaalsContact O-CB 3.3Å; F47-N51 WeakPolarHBondContact O-CB 3.14Å; F47-N51 PolarHBondContact O-N 3.5Å; F47-N51 PolarHBondContact O-ND2 2.97Å; L48-N51 PolarHBondContact O-N 3.39Å
52L87.5Confident91.3Very high61 Ų6138 Ų3832%0.31922%0.222SC..  trans-125.4103.8-171.6-179.466.8000110.5L48 G54 S55L48-L52 HydrophobicContact CD2-CD2 4.28Å; L48-L52 WeakPolarHBondContact O-CA 3.37Å; L48-L52 WeakPolarHBondContact O-CB 3.26Å; L48-L52 PolarHBondContact O-N 3.22Å; L52-G54 VanDerWaalsContact C-N 3.25Å; L52-G54 PolarHBondContact O-N 2.91Å; L52-S55 WeakPolarHBondContact CB-OG 3.3Å; L52-S55 PolarHBondContact O-N 3.25Å; L52-S55 VanDerWaalsContact O-N 3.15Å; L52-S55 PolarHBondContact O-OG 3.34Å
53P85Confident91.3Very high83 Ų8337.9 Ų37.954%0.53922%0.221SC..G310 helixtrans-54.4-38.7179.7-28.334.9000114.3S55 R56P53-S55 VanDerWaalsContact C-N 3.28Å; P53-S55 PolarHBondContact O-N 3.39Å; P53-R56 PolarHBondContact O-N 3.34Å
54G86.3Confident91.4Very high65 Ų6533.6 Ų33.667%0.6720%0.199SC*.G310 helixtrans-68.6-19.4-178.100000115L52L52-G54 VanDerWaalsContact C-N 3.25Å; L52-G54 PolarHBondContact O-N 2.91Å
55S89.8Confident91.4Very high1 Ų137.1 Ų37.11%0.00722%0.217CC..G310 helixtrans-91-8.5177.148.10000113.9L48 L52 P53 S57 A58 V59L48-S55 PolarHBondContact O-OG 2.79Å; L48-S55 VanDerWaalsContact O-OG 3.09Å; L52-S55 WeakPolarHBondContact CB-OG 3.3Å; L52-S55 PolarHBondContact O-N 3.25Å; L52-S55 VanDerWaalsContact O-N 3.15Å; L52-S55 PolarHBondContact O-OG 3.34Å; P53-S55 VanDerWaalsContact C-N 3.28Å; P53-S55 PolarHBondContact O-N 3.39Å; S55-S57 PolarHBondContact O-N 2.95Å; S55-A58 PolarHBondContact O-N 3.39Å; S55-A58 VanDerWaalsContact O-N 3.15Å; S55-V59 WeakPolarHBondContact O-CG2 3.25Å; S55-V59 PolarHBondContact O-N 2.95Å
56R92.2Very high91.3Very high37 Ų3737 Ų3714%0.1422%0.216CC..Hα-helixtrans-60.7-42.5-173.5-68178.8-174.3139.41.9112.9F49 P53 V59 L60 F111F49-R56 HydrophobicContact CD2-CB 4.13Å; F49-R56 HydrophobicContact CD2-CG 3.96Å; F49-R56 HydrophobicContact CE2-CB 4.16Å; F49-R56 HydrophobicContact CE2-CG 4.18Å; F49-R56 PolarHBondContact O-NE 3.35Å; P53-R56 PolarHBondContact O-N 3.34Å; R56-V59 PolarHBondContact O-N 3.12Å; R56-L60 WeakPolarHBondContact O-CG 3.39Å; R56-L60 PolarHBondContact O-N 2.69Å; R56-F111 HydrophobicContact CB-CE2 4.38Å
57S90.1Very high91.3Very high77 Ų7735.8 Ų35.854%0.53821%0.21SC..Hα-helixtrans-60.9-45.7175.3510000111.4S55 V59 L60 E61S55-S57 PolarHBondContact O-N 2.95Å; S57-V59 VanDerWaalsContact C-N 3.32Å; S57-V59 PolarHBondContact O-N 2.66Å; S57-L60 WeakPolarHBondContact O-CB 3.32Å; S57-L60 PolarHBondContact O-N 3.18Å; S57-E61 WeakPolarHBondContact O-CG 3.37Å; S57-E61 PolarHBondContact O-N 3.21Å
58A90Very high91.2Very high39 Ų3935.1 Ų35.132%0.32221%0.207SC..Hα-helixtrans-62.6-38178.400000112.6F15 S55 Y62F15-A58 HydrophobicContact CE1-CB 3.97Å; F15-A58 HydrophobicContact CZ-CB 4.36Å; S55-A58 PolarHBondContact O-N 3.39Å; S55-A58 VanDerWaalsContact O-N 3.15Å; A58-Y62 WeakPolarHBondContact O-CB 3.45Å; A58-Y62 PolarHBondContact O-N 3.07Å
59V93.8Very high91.1Very high0 Ų036.4 Ų36.40%021%0.213CC..Hα-helixtrans-68.3-40.3175.8174.40000111.4F15 P45 L48 F49 S55 R56 S57 Y62 V63 F101F15-V59 HydrophobicContact CE2-CG2 4.08Å; F15-V59 HydrophobicContact CZ-CG2 4.01Å; P45-V59 HydrophobicContact CB-CG1 3.98Å; P45-V59 HydrophobicContact CB-CG2 4.38Å; L48-V59 HydrophobicContact CB-CG2 4.45Å; F49-V59 HydrophobicContact CB-CB 4.47Å; F49-V59 HydrophobicContact CB-CG1 4.16Å; F49-V59 HydrophobicContact CB-CG2 4.38Å; F49-V59 HydrophobicContact CD2-CB 4.12Å; F49-V59 HydrophobicContact CD2-CG1 4.01Å; F49-V59 HydrophobicContact CG-CG1 4.43Å; S55-V59 WeakPolarHBondContact O-CG2 3.25Å; S55-V59 PolarHBondContact O-N 2.95Å; R56-V59 PolarHBondContact O-N 3.12Å; S57-V59 VanDerWaalsContact C-N 3.32Å; S57-V59 PolarHBondContact O-N 2.66Å; V59-Y62 WeakPolarHBondContact O-CB 3.41Å; V59-Y62 PolarHBondContact O-N 3.22Å; V59-V63 WeakPolarHBondContact O-CG2 3.27Å; V59-V63 PolarHBondContact O-N 3.03Å; V59-F101 HydrophobicContact CG1-CE1 4.01Å; V59-F101 HydrophobicContact CG1-CZ 4.08Å
60L94.4Very high91Very high6 Ų636.4 Ų36.43%0.03121%0.213CC..Hα-helixtrans-61-47174.3-74.2176000111.6F49 R56 S57 Y62 V63 A64 F101 F111 I114 L115 W118F49-L60 HydrophobicContact CE2-CD2 4.43Å; F49-L60 HydrophobicContact CE2-CG 4.44Å; R56-L60 WeakPolarHBondContact O-CG 3.39Å; R56-L60 PolarHBondContact O-N 2.69Å; S57-L60 WeakPolarHBondContact O-CB 3.32Å; S57-L60 PolarHBondContact O-N 3.18Å; L60-Y62 VanDerWaalsContact C-N 3.31Å; L60-Y62 PolarHBondContact O-N 3.28Å; L60-V63 PolarHBondContact O-N 3.18Å; L60-A64 PolarHBondContact O-N 3.02Å; L60-F101 HydrophobicContact CD2-CD2 4.13Å; L60-F101 HydrophobicContact CD2-CE1 4.41Å; L60-F101 HydrophobicContact CD2-CE2 3.69Å; L60-F101 HydrophobicContact CD2-CZ 3.83Å; L60-F111 HydrophobicContact CD1-CZ 3.99Å; L60-F111 HydrophobicContact CD2-CZ 4.38Å; L60-F111 HydrophobicContact CG-CZ 4.46Å; L60-I114 HydrophobicContact CD1-CG2 4.08Å; L60-L115 HydrophobicContact CD2-CD1 4.12Å; L60-W118 HydrophobicContact CB-CD2 4.36Å; L60-W118 HydrophobicContact CB-CG 4.2Å; L60-W118 HydrophobicContact CD1-CB 4.32Å; L60-W118 HydrophobicContact CD1-CG 4.19Å; L60-W118 HydrophobicContact CD2-CD2 3.9Å; L60-W118 HydrophobicContact CD2-CE3 4.17Å; L60-W118 HydrophobicContact CD2-CG 4.18Å; L60-W118 HydrophobicContact CG-CG 4.44Å; L60-W118 WeakPolarHBondContact O-CZ2 3.27Å; L60-W118 PolarHBondContact O-NE1 3.28Å; L60-W118 VanDerWaalsContact O-NE1 3.17Å
61E92.6Very high91Very high105 Ų10532.1 Ų32.149%0.49120%0.195SC..Hα-helixtrans-62.4-37.8175.8-68.2-53.8141.500112.4S57 A64 N65S57-E61 WeakPolarHBondContact O-CG 3.37Å; S57-E61 PolarHBondContact O-N 3.21Å; E61-A64 WeakPolarHBondContact O-CB 3.36Å; E61-A64 PolarHBondContact O-N 2.87Å; E61-N65 VanDerWaalsContact O-CG 3.29Å; E61-N65 PolarHBondContact O-N 3.36Å; E61-N65 PolarHBondContact O-ND2 3.24Å; E61-N65 VanDerWaalsContact O-ND2 3.12Å
62Y94.2Very high90.9Very high5 Ų531.3 Ų31.32%0.0220%0.195CC..Hα-helixtrans-60.3-47.5173.5169-112.6000111.9F15 I18 A19 W33 L41 P45 A58 V59 L60 A64 N65 L66 L97F15-Y62 AromaticContact CE2-CD1 3.84Å; F15-Y62 HydrophobicContact CE2-CD1 3.84Å; F15-Y62 AromaticContact CE2-CG 3.82Å; F15-Y62 HydrophobicContact CE2-CG 3.82Å; F15-Y62 HydrophobicContact CZ-CG 4.27Å; I18-Y62 HydrophobicContact CG2-CE2 4.38Å; A19-Y62 HydrophobicContact CB-CD2 3.65Å; A19-Y62 HydrophobicContact CB-CE2 4.26Å; A19-Y62 HydrophobicContact CB-CG 4.14Å; W33-Y62 HydrophobicContact CZ2-CE2 4.44Å; W33-Y62 AromaticContact NE1-CE2 3.62Å; L41-Y62 WeakPolarHBondContact CD2-OH 3.28Å; P45-Y62 HydrophobicContact CB-CD1 4.44Å; P45-Y62 HydrophobicContact CB-CE1 4.46Å; P45-Y62 HydrophobicContact CG-CD1 4.16Å; P45-Y62 HydrophobicContact CG-CE1 3.8Å; A58-Y62 WeakPolarHBondContact O-CB 3.45Å; A58-Y62 PolarHBondContact O-N 3.07Å; V59-Y62 WeakPolarHBondContact O-CB 3.41Å; V59-Y62 PolarHBondContact O-N 3.22Å; L60-Y62 VanDerWaalsContact C-N 3.31Å; L60-Y62 PolarHBondContact O-N 3.28Å; Y62-A64 VanDerWaalsContact C-N 3.32Å; Y62-A64 PolarHBondContact O-N 2.72Å; Y62-N65 PolarHBondContact O-N 2.72Å; Y62-L66 HydrophobicContact CD1-CD1 4.27Å; Y62-L66 HydrophobicContact CE1-CD1 3.68Å; Y62-L66 HydrophobicContact CE1-CG 4.45Å; Y62-L66 HydrophobicContact CE2-CD1 4.24Å; Y62-L66 HydrophobicContact CE2-CD2 4.25Å; Y62-L66 HydrophobicContact CE2-CG 4.17Å; Y62-L66 PolarHBondContact O-N 3.44Å; Y62-L66 VanDerWaalsContact O-N 3.1Å; Y62-L97 HydrophobicContact CE1-CD1 4.17Å
63V94.2Very high91Very high0 Ų028.9 Ų28.90%018%0.182CC..Hα-helixtrans-65.1-37.2177175.80000111.5V59 L60 N65 L66 I67 L97 F101 W118V59-V63 WeakPolarHBondContact O-CG2 3.27Å; V59-V63 PolarHBondContact O-N 3.03Å; L60-V63 PolarHBondContact O-N 3.18Å; V63-N65 VanDerWaalsContact C-N 3.33Å; V63-N65 PolarHBondContact O-N 3.19Å; V63-L66 WeakPolarHBondContact O-CB 3.46Å; V63-L66 PolarHBondContact O-N 2.88Å; V63-I67 HydrophobicContact CG1-CD1 3.83Å; V63-I67 HydrophobicContact CG1-CG1 4.37Å; V63-I67 WeakPolarHBondContact O-CG1 3.41Å; V63-I67 PolarHBondContact O-N 3.33Å; V63-L97 HydrophobicContact CG2-CB 3.88Å; V63-L97 HydrophobicContact CG2-CD1 3.76Å; V63-L97 HydrophobicContact CG2-CG 4.27Å; V63-F101 HydrophobicContact CB-CE2 4.19Å; V63-F101 HydrophobicContact CB-CZ 4.24Å; V63-F101 HydrophobicContact CG1-CE2 4.11Å; V63-F101 HydrophobicContact CG2-CE2 4.04Å; V63-F101 HydrophobicContact CG2-CZ 3.68Å; V63-W118 HydrophobicContact CB-CH2 4.39Å; V63-W118 HydrophobicContact CB-CZ2 4.25Å; V63-W118 HydrophobicContact CG1-CH2 3.92Å; V63-W118 HydrophobicContact CG1-CZ2 4.24Å
64A93.5Very high91.2Very high2 Ų226 Ų262%0.01716%0.161CC..Hα-helixtrans-58-48.2174.700000110.5L60 E61 Y62 L66 I67 H68 W118 N122L60-A64 PolarHBondContact O-N 3.02Å; E61-A64 WeakPolarHBondContact O-CB 3.36Å; E61-A64 PolarHBondContact O-N 2.87Å; Y62-A64 VanDerWaalsContact C-N 3.32Å; Y62-A64 PolarHBondContact O-N 2.72Å; A64-L66 VanDerWaalsContact C-N 3.34Å; A64-L66 PolarHBondContact O-N 3.48Å; A64-I67 PolarHBondContact O-N 2.94Å; A64-H68 WeakPolarHBondContact O-CB 3.36Å; A64-H68 PolarHBondContact O-CD2 3.19Å; A64-H68 PolarHBondContact O-N 3.04Å; A64-W118 HydrophobicContact CB-CZ2 3.8Å; A64-N122 WeakPolarHBondContact CB-OD1 3.37Å
65N91.8Very high91.2Very high79 Ų7923 Ų2342%0.42213%0.13SC..Hα-helixtrans-61.4-39.9178.4-70.2-35.4000112.8W33 E61 Y62 V63 E69W33-N65 HydrophobicContact CH2-CB 3.79Å; W33-N65 HydrophobicContact CZ2-CB 4.42Å; E61-N65 VanDerWaalsContact O-CG 3.29Å; E61-N65 PolarHBondContact O-N 3.36Å; E61-N65 PolarHBondContact O-ND2 3.24Å; E61-N65 VanDerWaalsContact O-ND2 3.12Å; Y62-N65 PolarHBondContact O-N 2.72Å; V63-N65 VanDerWaalsContact C-N 3.33Å; V63-N65 PolarHBondContact O-N 3.19Å; N65-E69 VanDerWaalsContact O-CB 3.26Å; N65-E69 WeakPolarHBondContact O-CB 3.46Å; N65-E69 PolarHBondContact O-N 3.27Å
66L92Very high91Very high0 Ų028.3 Ų28.30%015%0.15CC..Hα-helixtrans-59.7-47.3173.7-68.8174.6000111.5W33 Y62 V63 A64 N70 V90 V94 L97W33-L66 HydrophobicContact CB-CD2 3.93Å; W33-L66 HydrophobicContact CD2-CD2 3.36Å; W33-L66 HydrophobicContact CE3-CD2 3.41Å; W33-L66 VanDerWaalsContact CE3-CD2 3.41Å; W33-L66 HydrophobicContact CE3-CG 4.48Å; W33-L66 HydrophobicContact CG-CD2 3.59Å; W33-L66 HydrophobicContact CZ3-CD2 4.09Å; Y62-L66 HydrophobicContact CD1-CD1 4.27Å; Y62-L66 HydrophobicContact CE1-CD1 3.68Å; Y62-L66 HydrophobicContact CE1-CG 4.45Å; Y62-L66 HydrophobicContact CE2-CD1 4.24Å; Y62-L66 HydrophobicContact CE2-CD2 4.25Å; Y62-L66 HydrophobicContact CE2-CG 4.17Å; Y62-L66 PolarHBondContact O-N 3.44Å; Y62-L66 VanDerWaalsContact O-N 3.1Å; V63-L66 WeakPolarHBondContact O-CB 3.46Å; V63-L66 PolarHBondContact O-N 2.88Å; A64-L66 VanDerWaalsContact C-N 3.34Å; A64-L66 PolarHBondContact O-N 3.48Å; L66-N70 WeakPolarHBondContact O-CB 3.48Å; L66-N70 PolarHBondContact O-N 3.37Å; L66-N70 VanDerWaalsContact O-N 3.15Å; L66-V90 HydrophobicContact CB-CG1 4.09Å; L66-V90 HydrophobicContact CD2-CG1 3.88Å; L66-V90 HydrophobicContact CD2-CG2 4.17Å; L66-V90 HydrophobicContact CG-CG1 4.5Å; L66-V94 HydrophobicContact CB-CG2 3.78Å; L66-V94 HydrophobicContact CD1-CG2 4.23Å; L66-L97 HydrophobicContact CD1-CD1 4.06Å
67I93.5Very high90.7Very high0 Ų031.7 Ų31.70%016%0.162CC..Hα-helixtrans-64.6-54.1-179.5-67.5167.7000110.5V63 A64 E69 N70 V71 V94 W118 L126 L157V63-I67 HydrophobicContact CG1-CD1 3.83Å; V63-I67 HydrophobicContact CG1-CG1 4.37Å; V63-I67 WeakPolarHBondContact O-CG1 3.41Å; V63-I67 PolarHBondContact O-N 3.33Å; A64-I67 PolarHBondContact O-N 2.94Å; I67-E69 VanDerWaalsContact C-N 3.34Å; I67-E69 PolarHBondContact O-N 3.08Å; I67-N70 PolarHBondContact O-N 2.84Å; I67-V71 HydrophobicContact CG2-CG2 4.12Å; I67-V71 WeakPolarHBondContact O-CB 3.41Å; I67-V71 VanDerWaalsContact O-CG2 3.26Å; I67-V71 WeakPolarHBondContact O-CG2 3.23Å; I67-V71 PolarHBondContact O-N 3.07Å; I67-V94 HydrophobicContact CD1-CG1 4.14Å; I67-V94 HydrophobicContact CG1-CG1 3.75Å; I67-V94 HydrophobicContact CG1-CG2 4.08Å; I67-W118 HydrophobicContact CD1-CH2 4.07Å; I67-L126 HydrophobicContact CG2-CD1 4.33Å; I67-L157 HydrophobicContact CD1-CD1 4.38Å; I67-L157 HydrophobicContact CG2-CD2 4.4Å
68H91.4Very high90.4Very high32 Ų3230.8 Ų30.815%0.14815%0.154CC..Hα-helixtrans-61-41.6-176.4-79.5-69.4000112.4A64 A72 N122 E125 L126A64-H68 WeakPolarHBondContact O-CB 3.36Å; A64-H68 PolarHBondContact O-CD2 3.19Å; A64-H68 PolarHBondContact O-N 3.04Å; H68-A72 WeakPolarHBondContact O-CB 3.33Å; H68-A72 PolarHBondContact O-N 3.46Å; H68-N122 PolarHBondContact CD2-OD1 3.43Å; H68-N122 PolarHBondContact NE2-OD1 2.8Å; H68-E125 IonicContact CE1-OE2 3.18Å; H68-E125 IonicContact NE2-OE2 2.84Å; H68-E125 PolarHBondContact NE2-OE2 3.17Å; H68-L126 VanDerWaalsContact ND1-CD2 3.25Å; H68-L126 WeakPolarHBondContact ND1-CD2 3.34Å
69E89.4Confident90.1Very high26 Ų2632.9 Ų32.912%0.12116%0.157CC..Hα-helixtrans-62.7-47.9175.9-179.7175.6-112.500111.2R26 S31 L32 W33 N65 I67 A72 F73R26-E69 IonicContact CZ-OE1 2.72Å; R26-E69 IonicContact NH1-OE1 3.22Å; R26-E69 PolarHBondContact NH1-OE1 3.21Å; R26-E69 VanDerWaalsContact NH2-CD 3.34Å; R26-E69 IonicContact NH2-OE1 3.37Å; R26-E69 PolarHBondContact NH2-OE1 3.18Å; R26-E69 IonicContact NH2-OE2 4Å; S31-E69 VanDerWaalsContact CA-OE2 3.25Å; S31-E69 WeakPolarHBondContact CA-OE2 3.37Å; S31-E69 VanDerWaalsContact CB-OE2 3.28Å; S31-E69 WeakPolarHBondContact CB-OE2 3.47Å; S31-E69 PolarHBondContact OG-OE2 3.3Å; L32-E69 WeakPolarHBondContact CG-OE1 3.29Å; L32-E69 PolarHBondContact N-OE1 3.09Å; L32-E69 PolarHBondContact N-OE2 2.84Å; W33-E69 VanDerWaalsContact CE3-OE2 3.3Å; W33-E69 HydrophobicContact CZ3-CB 4.12Å; W33-E69 HydrophobicContact CZ3-CG 4.5Å; W33-E69 WeakPolarHBondContact CZ3-OE2 3.32Å; N65-E69 VanDerWaalsContact O-CB 3.26Å; N65-E69 WeakPolarHBondContact O-CB 3.46Å; N65-E69 PolarHBondContact O-N 3.27Å; I67-E69 VanDerWaalsContact C-N 3.34Å; I67-E69 PolarHBondContact O-N 3.08Å; E69-A72 PolarHBondContact O-N 3.44Å; E69-F73 HydrophobicContact CG-CD2 3.84Å; E69-F73 HydrophobicContact CG-CE2 3.43Å; E69-F73 VanDerWaalsContact CG-CE2 3.43Å; E69-F73 HydrophobicContact CG-CZ 4.4Å; E69-F73 WeakPolarHBondContact O-CD2 3.3Å; E69-F73 PolarHBondContact O-N 3.07Å; E69-F73 VanDerWaalsContact O-N 3.07Å
70N89.9Confident89.7Confident2 Ų236.6 Ų36.61%0.01118%0.177CC..Hα-helixtrans-65.6-42.6-178.7-167.132.2000111.9L66 I67 A72 F73 F74 V87 E91 S153L66-N70 WeakPolarHBondContact O-CB 3.48Å; L66-N70 PolarHBondContact O-N 3.37Å; L66-N70 VanDerWaalsContact O-N 3.15Å; I67-N70 PolarHBondContact O-N 2.84Å; N70-A72 VanDerWaalsContact C-N 3.33Å; N70-A72 PolarHBondContact O-N 3.15Å; N70-F73 PolarHBondContact O-N 3.39Å; N70-F74 WeakPolarHBondContact O-CB 3.2Å; N70-F74 PolarHBondContact O-N 2.77Å; N70-V87 VanDerWaalsContact OD1-CG2 3.26Å; N70-V87 WeakPolarHBondContact OD1-CG2 3.42Å; N70-E91 WeakPolarHBondContact ND2-CG 3.31Å; N70-E91 PolarHBondContact ND2-OE1 3.14Å; N70-S153 PolarHBondContact ND2-OG 3.17Å
71V90.3Very high89.1Confident1 Ų140.7 Ų40.71%0.00620%0.204CC..Hα-helixtrans-62.6-41.8175.4177.60000110.3I67 F73 F74 L75 L126 Y148I67-V71 HydrophobicContact CG2-CG2 4.12Å; I67-V71 WeakPolarHBondContact O-CB 3.41Å; I67-V71 VanDerWaalsContact O-CG2 3.26Å; I67-V71 WeakPolarHBondContact O-CG2 3.23Å; I67-V71 PolarHBondContact O-N 3.07Å; V71-F73 VanDerWaalsContact C-N 3.29Å; V71-F73 PolarHBondContact O-N 2.95Å; V71-F74 PolarHBondContact O-N 3.25Å; V71-L75 HydrophobicContact CG1-CD1 4Å; V71-L75 HydrophobicContact CG1-CG 4.02Å; V71-L75 WeakPolarHBondContact O-CB 3.49Å; V71-L75 VanDerWaalsContact O-CG 3.29Å; V71-L75 WeakPolarHBondContact O-CG 3.37Å; V71-L75 PolarHBondContact O-N 2.88Å; V71-L126 HydrophobicContact CB-CD2 3.88Å; V71-L126 HydrophobicContact CG1-CD2 3.73Å; V71-L126 HydrophobicContact CG2-CD1 4.4Å; V71-L126 HydrophobicContact CG2-CD2 4.15Å; V71-Y148 HydrophobicContact CG1-CD1 4.42Å; V71-Y148 HydrophobicContact CG1-CE1 4.04Å
72A88.1Confident88.8Confident36 Ų3642.6 Ų42.630%0.29822%0.217SC..Hα-helixtrans-60.8-37177.400000113H68 E69 N70 R76 R133H68-A72 WeakPolarHBondContact O-CB 3.33Å; H68-A72 PolarHBondContact O-N 3.46Å; E69-A72 PolarHBondContact O-N 3.44Å; N70-A72 VanDerWaalsContact C-N 3.33Å; N70-A72 PolarHBondContact O-N 3.15Å; A72-R76 WeakPolarHBondContact O-CG 3.45Å; A72-R76 PolarHBondContact O-N 3.45Å; A72-R76 VanDerWaalsContact O-N 3.16Å; A72-R133 PolarHBondContact O-NH2 2.95Å
73F88.4Confident88.3Confident10 Ų1043.4 Ų43.44%0.04422%0.221CC..Hα-helixtrans-68.5-46.3172.6-76.8-54.7000112.7A28 E69 N70 V71 L75 R76 R77 F83 Y85A28-F73 WeakPolarHBondContact O-CE1 3.47Å; E69-F73 HydrophobicContact CG-CD2 3.84Å; E69-F73 HydrophobicContact CG-CE2 3.43Å; E69-F73 VanDerWaalsContact CG-CE2 3.43Å; E69-F73 HydrophobicContact CG-CZ 4.4Å; E69-F73 WeakPolarHBondContact O-CD2 3.3Å; E69-F73 PolarHBondContact O-N 3.07Å; E69-F73 VanDerWaalsContact O-N 3.07Å; N70-F73 PolarHBondContact O-N 3.39Å; V71-F73 VanDerWaalsContact C-N 3.29Å; V71-F73 PolarHBondContact O-N 2.95Å; F73-L75 VanDerWaalsContact C-N 3.33Å; F73-L75 PolarHBondContact O-N 3.08Å; F73-R76 WeakPolarHBondContact O-CB 3.39Å; F73-R76 PolarHBondContact O-N 3.28Å; F73-R76 VanDerWaalsContact O-N 3.17Å; F73-R77 PolarHBondContact O-N 2.99Å; F73-F83 AromaticContact CD1-CE1 3.88Å; F73-F83 HydrophobicContact CD1-CE1 3.88Å; F73-F83 AromaticContact CD1-CZ 3.83Å; F73-F83 HydrophobicContact CD1-CZ 3.83Å; F73-F83 HydrophobicContact CE1-CZ 4.27Å; F73-Y85 HydrophobicContact CB-CD1 4.13Å; F73-Y85 HydrophobicContact CB-CD2 3.47Å; F73-Y85 VanDerWaalsContact CB-CD2 3.47Å; F73-Y85 HydrophobicContact CB-CE1 4.37Å; F73-Y85 HydrophobicContact CB-CE2 3.73Å; F73-Y85 HydrophobicContact CB-CG 3.71Å; F73-Y85 HydrophobicContact CD1-CG 4.43Å; F73-Y85 HydrophobicContact CD2-CD2 4.41Å; F73-Y85 AromaticContact CG-CD2 3.98Å; F73-Y85 HydrophobicContact CG-CD2 3.98Å; F73-Y85 HydrophobicContact CG-CG 4.16Å
74F88.6Confident87.8Confident24 Ų2448.1 Ų48.111%0.10525%0.25CC..Hα-helixtrans-57.7-47.1176.4174.6-98.4000111.2N70 V71 R76 R77 V78 I147 T150 C151N70-F74 WeakPolarHBondContact O-CB 3.2Å; N70-F74 PolarHBondContact O-N 2.77Å; V71-F74 PolarHBondContact O-N 3.25Å; F74-R76 VanDerWaalsContact C-N 3.32Å; F74-R76 PolarHBondContact O-N 3.12Å; F74-R77 CarbonylContact O-C 3.53Å; F74-R77 WeakPolarHBondContact O-CA 3.5Å; F74-R77 WeakPolarHBondContact O-CB 3.42Å; F74-R77 PolarHBondContact O-N 3.47Å; F74-V78 HydrophobicContact CD1-CG2 4.11Å; F74-V78 HydrophobicContact CE1-CG2 3.64Å; F74-V78 HydrophobicContact CE2-CG2 4.37Å; F74-V78 HydrophobicContact CZ-CG2 3.78Å; F74-V78 WeakPolarHBondContact O-CG2 3.46Å; F74-V78 PolarHBondContact O-N 3.44Å; F74-I147 HydrophobicContact CE1-CG2 3.9Å; F74-I147 VanDerWaalsContact CE1-O 3.27Å; F74-I147 WeakPolarHBondContact CE1-O 3.43Å; F74-T150 HydrophobicContact CE2-CG2 3.97Å; F74-T150 HydrophobicContact CZ-CG2 3.8Å; F74-C151 HydrophobicContact CB-CB 4.16Å; F74-C151 HydrophobicContact CD1-CB 3.48Å; F74-C151 VanDerWaalsContact CD1-CB 3.48Å; F74-C151 HydrophobicContact CD2-CB 3.97Å; F74-C151 HydrophobicContact CE1-CB 3.77Å; F74-C151 HydrophobicContact CE2-CB 4.24Å; F74-C151 HydrophobicContact CG-CB 3.59Å; F74-C151 HydrophobicContact CZ-CB 4.15Å
75L86.9Confident87.4Confident1 Ų150.3 Ų50.31%0.00526%0.258CS..Hα-helixtrans-62.8-36.2177.6-66.7-175.2000112.2V71 F73 R77 V78 E79 I136 I147 Y148V71-L75 HydrophobicContact CG1-CD1 4Å; V71-L75 HydrophobicContact CG1-CG 4.02Å; V71-L75 WeakPolarHBondContact O-CB 3.49Å; V71-L75 VanDerWaalsContact O-CG 3.29Å; V71-L75 WeakPolarHBondContact O-CG 3.37Å; V71-L75 PolarHBondContact O-N 2.88Å; F73-L75 VanDerWaalsContact C-N 3.33Å; F73-L75 PolarHBondContact O-N 3.08Å; L75-R77 VanDerWaalsContact C-N 3.3Å; L75-R77 PolarHBondContact O-N 3.08Å; L75-V78 PolarHBondContact O-N 3.25Å; L75-E79 WeakPolarHBondContact O-CG 3.45Å; L75-E79 PolarHBondContact O-N 2.9Å; L75-I136 HydrophobicContact CB-CD1 3.98Å; L75-I136 HydrophobicContact CD1-CD1 3.79Å; L75-I136 HydrophobicContact CD2-CD1 3.58Å; L75-I136 HydrophobicContact CG-CD1 3.96Å; L75-I147 HydrophobicContact CD2-CG2 3.9Å; L75-Y148 HydrophobicContact CD1-CE1 4.29Å; L75-Y148 HydrophobicContact CD2-CE1 4.33Å
76R85.4Confident87Confident112 Ų11253.9 Ų53.942%0.42327%0.27SS..Hα-helixtrans-63.5-35.3171.8-78.6-175.9-175.6164.53.9112.3A28 A72 F73 F74 E79 N80 F83 R133A28-R76 PolarHBondContact O-NH1 3.01Å; A72-R76 WeakPolarHBondContact O-CG 3.45Å; A72-R76 PolarHBondContact O-N 3.45Å; A72-R76 VanDerWaalsContact O-N 3.16Å; F73-R76 WeakPolarHBondContact O-CB 3.39Å; F73-R76 PolarHBondContact O-N 3.28Å; F73-R76 VanDerWaalsContact O-N 3.17Å; F74-R76 VanDerWaalsContact C-N 3.32Å; F74-R76 PolarHBondContact O-N 3.12Å; R76-E79 PolarHBondContact O-N 3.44Å; R76-N80 PolarHBondContact O-N 3.49Å; R76-F83 HydrophobicContact CB-CD1 3.89Å; R76-F83 HydrophobicContact CB-CE1 3.84Å; R76-F83 HydrophobicContact CB-CG 4.36Å; R76-F83 HydrophobicContact CB-CZ 4.26Å; R76-R133 VanDerWaalsContact CG-NH1 3.31Å
77R85.9Confident86.6Confident108 Ų10854.7 Ų54.741%0.40828%0.275SS..Hα-helixtrans-69.8-33.4174179.9173173.973.71.7112.6F73 F74 L75 N80 P81 F83 Y85F73-R77 PolarHBondContact O-N 2.99Å; F74-R77 CarbonylContact O-C 3.53Å; F74-R77 WeakPolarHBondContact O-CA 3.5Å; F74-R77 WeakPolarHBondContact O-CB 3.42Å; F74-R77 PolarHBondContact O-N 3.47Å; L75-R77 VanDerWaalsContact C-N 3.3Å; L75-R77 PolarHBondContact O-N 3.08Å; R77-N80 CarbonylContact C-O 3.6Å; R77-N80 WeakPolarHBondContact CA-O 3.22Å; R77-N80 CarbonylContact O-C 3.54Å; R77-P81 PolarHBondContact NH1-O 3.33Å; R77-P81 WeakPolarHBondContact O-CA 3.44Å; R77-F83 HydrophobicContact CB-CD1 4.15Å; R77-F83 PolarHBondContact NH1-O 3.18Å; R77-Y85 HydrophobicContact CB-CD1 4.27Å; R77-Y85 HydrophobicContact CB-CE1 3.79Å; R77-Y85 HydrophobicContact CG-CE1 4.33Å
78V84.4Confident86.2Confident59 Ų5956.7 Ų56.736%0.35830%0.295SS..Hα-helixtrans-65.3-42.7173.4174.60000110.6F74 L75 I147F74-V78 HydrophobicContact CD1-CG2 4.11Å; F74-V78 HydrophobicContact CE1-CG2 3.64Å; F74-V78 HydrophobicContact CE2-CG2 4.37Å; F74-V78 HydrophobicContact CZ-CG2 3.78Å; F74-V78 WeakPolarHBondContact O-CG2 3.46Å; F74-V78 PolarHBondContact O-N 3.44Å; L75-V78 PolarHBondContact O-N 3.25Å; V78-I147 HydrophobicContact CG2-CG2 4.39Å
79E83.5Confident86.1Confident82 Ų8260.1 Ų60.138%0.38331%0.31SS..Hα-helixtrans-72.4-36.6176.8-66.8176.1124.900113L75 R76 R133L75-E79 WeakPolarHBondContact O-CG 3.45Å; L75-E79 PolarHBondContact O-N 2.9Å; R76-E79 PolarHBondContact O-N 3.44Å; E79-R133 WeakPolarHBondContact OE1-CB 3.49Å; E79-R133 WeakPolarHBondContact OE1-CG 3.5Å; E79-R133 IonicContact OE2-CZ 2.89Å; E79-R133 IonicContact OE2-NH1 2.74Å; E79-R133 PolarHBondContact OE2-NH1 3.42Å
80N85.1Confident86.1Confident78 Ų7858.9 Ų58.942%0.41730%0.304SS..  trans-126.596.5178.1-177.3-4.9000109.7R76 R77 N82 F83R76-N80 PolarHBondContact O-N 3.49Å; R77-N80 CarbonylContact C-O 3.6Å; R77-N80 WeakPolarHBondContact CA-O 3.22Å; R77-N80 CarbonylContact O-C 3.54Å; N80-N82 PolarHBondContact O-N 3.48Å; N80-N82 WeakPolarHBondContact OD1-CB 3.18Å; N80-N82 PolarHBondContact OD1-N 3.26Å; N80-F83 HydrophobicContact CB-CB 4.04Å; N80-F83 WeakPolarHBondContact O-CB 3.2Å; N80-F83 PolarHBondContact O-N 3.18Å
81P82.5Confident86Confident93 Ų9361.8 Ų61.860%0.60432%0.318SS*.THydrogen-bonded Turntrans-57.2-26.2-178.4-2634000114.2R77 F83R77-P81 PolarHBondContact NH1-O 3.33Å; R77-P81 WeakPolarHBondContact O-CA 3.44Å; P81-F83 VanDerWaalsContact C-N 3.28Å
82N85Confident86.1Confident144 Ų14466.4 Ų66.477%0.7734%0.339SS*.THydrogen-bonded Turntrans-79.5-11.1177.8-62.6-29.5000112.7N80 T84N80-N82 PolarHBondContact O-N 3.48Å; N80-N82 WeakPolarHBondContact OD1-CB 3.18Å; N80-N82 PolarHBondContact OD1-N 3.26Å; N82-T84 PolarHBondContact O-N 3.35Å
83F85.2Confident86.3Confident23 Ų2364.7 Ų64.710%0.10133%0.325CS..  trans-68.5121.3175.3-175.9-99.8000109.9N29 F73 R76 R77 N80 P81 Y85N29-F83 HydrophobicContact CB-CE2 4.24Å; N29-F83 HydrophobicContact CB-CZ 4.18Å; N29-F83 WeakPolarHBondContact OD1-CE2 3.29Å; F73-F83 AromaticContact CD1-CE1 3.88Å; F73-F83 HydrophobicContact CD1-CE1 3.88Å; F73-F83 AromaticContact CD1-CZ 3.83Å; F73-F83 HydrophobicContact CD1-CZ 3.83Å; F73-F83 HydrophobicContact CE1-CZ 4.27Å; R76-F83 HydrophobicContact CB-CD1 3.89Å; R76-F83 HydrophobicContact CB-CE1 3.84Å; R76-F83 HydrophobicContact CB-CG 4.36Å; R76-F83 HydrophobicContact CB-CZ 4.26Å; R77-F83 HydrophobicContact CB-CD1 4.15Å; R77-F83 PolarHBondContact NH1-O 3.18Å; N80-F83 HydrophobicContact CB-CB 4.04Å; N80-F83 WeakPolarHBondContact O-CB 3.2Å; N80-F83 PolarHBondContact O-N 3.18Å; P81-F83 VanDerWaalsContact C-N 3.28Å; F83-Y85 AromaticContact CD1-CD1 3.93Å; F83-Y85 HydrophobicContact CD1-CD1 3.93Å; F83-Y85 AromaticContact CE1-CD1 3.82Å; F83-Y85 HydrophobicContact CE1-CD1 3.82Å; F83-Y85 HydrophobicContact CE1-CG 4.13Å
84T82.7Confident86.6Confident98 Ų9864.2 Ų64.260%0.60132%0.323SS*.  trans-112.3139.4173.752.50000108.6N29 N82N29-T84 PolarHBondContact ND2-O 2.83Å; N82-T84 PolarHBondContact O-N 3.35Å
85Y85.1Confident86.8Confident48 Ų4867.1 Ų67.119%0.18834%0.337CS..  trans-137.4153.8178.561.6-82.7000110.3N29 F73 R77 F83 V87N29-Y85 WeakPolarHBondContact O-CA 3.42Å; N29-Y85 VanDerWaalsContact O-CB 3.24Å; N29-Y85 WeakPolarHBondContact O-CB 3.49Å; F73-Y85 HydrophobicContact CB-CD1 4.13Å; F73-Y85 HydrophobicContact CB-CD2 3.47Å; F73-Y85 VanDerWaalsContact CB-CD2 3.47Å; F73-Y85 HydrophobicContact CB-CE1 4.37Å; F73-Y85 HydrophobicContact CB-CE2 3.73Å; F73-Y85 HydrophobicContact CB-CG 3.71Å; F73-Y85 HydrophobicContact CD1-CG 4.43Å; F73-Y85 HydrophobicContact CD2-CD2 4.41Å; F73-Y85 AromaticContact CG-CD2 3.98Å; F73-Y85 HydrophobicContact CG-CD2 3.98Å; F73-Y85 HydrophobicContact CG-CG 4.16Å; R77-Y85 HydrophobicContact CB-CD1 4.27Å; R77-Y85 HydrophobicContact CB-CE1 3.79Å; R77-Y85 HydrophobicContact CG-CE1 4.33Å; F83-Y85 AromaticContact CD1-CD1 3.93Å; F83-Y85 HydrophobicContact CD1-CD1 3.93Å; F83-Y85 AromaticContact CE1-CD1 3.82Å; F83-Y85 HydrophobicContact CE1-CD1 3.82Å; F83-Y85 HydrophobicContact CE1-CG 4.13Å; Y85-V87 HydrophobicContact CD2-CG2 3.28Å; Y85-V87 HydrophobicContact CE2-CG2 3.15Å
86K83Confident87.2Confident155 Ų15571.3 Ų71.367%0.67436%0.356SS*.BIsolated β-bridgetrans-111.4122.1176.4-70.1-173.2178.7-177.20109.8N29 T30 S31N29-K86 PolarHBondContact O-N 2.89Å; N29-K86 VanDerWaalsContact O-N 3.14Å; T30-K86 HydrophobicContact CG2-CB 4.46Å; S31-K86 PolarHBondContact N-O 2.84Å
87V83.6Confident87.7Confident17 Ų1766 Ų6610%0.10334%0.336CS..  trans-102.1-23.6-177.5-172.40000111.8N70 Y85 V90 E91N70-V87 VanDerWaalsContact OD1-CG2 3.26Å; N70-V87 WeakPolarHBondContact OD1-CG2 3.42Å; Y85-V87 HydrophobicContact CD2-CG2 3.28Å; Y85-V87 HydrophobicContact CE2-CG2 3.15Å; V87-V90 HydrophobicContact CG1-CB 3.61Å; V87-V90 HydrophobicContact CG1-CG1 4.16Å; V87-V90 HydrophobicContact CG1-CG2 4.44Å; V87-V90 WeakPolarHBondContact O-CB 3.48Å; V87-V90 WeakPolarHBondContact O-CG2 3.47Å; V87-E91 HydrophobicContact CG1-CG 3.77Å
88G85.6Confident88.2Confident42 Ų4260.9 Ų60.943%0.43332%0.317SS..THydrogen-bonded Turntrans65.9-138.9-173.100000110.3V90G88-V90 VanDerWaalsContact C-N 3.31Å
89F88.9Confident88.6Confident104 Ų10459.3 Ų59.346%0.45631%0.309SS..THydrogen-bonded Turntrans-90.216.5178.8-63.6-75.5000114F38 L41 E91 E92 A93F38-F89 HydrophobicContact CB-CB 4.07Å; F38-F89 HydrophobicContact CB-CD1 4.36Å; F38-F89 HydrophobicContact CB-CG 4.12Å; L41-F89 HydrophobicContact CD1-CB 4.43Å; F89-E91 VanDerWaalsContact C-N 3.34Å; F89-E91 PolarHBondContact O-N 3.43Å; F89-E92 VanDerWaalsContact C-OE2 3.28Å; F89-E92 VanDerWaalsContact CA-OE2 3.31Å; F89-E92 WeakPolarHBondContact CA-OE2 3.15Å; F89-A93 VanDerWaalsContact O-CB 3.26Å; F89-A93 WeakPolarHBondContact O-CB 3.42Å; F89-A93 PolarHBondContact O-N 3.1Å
90V89.1Confident89.1Confident0 Ų055.6 Ų55.60%029%0.292CS..Hα-helixtrans-66.7-34.9-172.9167.20000112W33 L41 L66 V87 G88 A93 V94W33-V90 HydrophobicContact CB-CG2 3.63Å; L41-V90 HydrophobicContact CD1-CG2 4.17Å; L66-V90 HydrophobicContact CB-CG1 4.09Å; L66-V90 HydrophobicContact CD2-CG1 3.88Å; L66-V90 HydrophobicContact CD2-CG2 4.17Å; L66-V90 HydrophobicContact CG-CG1 4.5Å; V87-V90 HydrophobicContact CG1-CB 3.61Å; V87-V90 HydrophobicContact CG1-CG1 4.16Å; V87-V90 HydrophobicContact CG1-CG2 4.44Å; V87-V90 WeakPolarHBondContact O-CB 3.48Å; V87-V90 WeakPolarHBondContact O-CG2 3.47Å; G88-V90 VanDerWaalsContact C-N 3.31Å; V90-A93 PolarHBondContact O-N 3.32Å; V90-V94 HydrophobicContact CG1-CG2 4.32Å; V90-V94 WeakPolarHBondContact O-CB 3.48Å; V90-V94 VanDerWaalsContact O-CG2 3.25Å; V90-V94 WeakPolarHBondContact O-CG2 3.36Å; V90-V94 PolarHBondContact O-N 2.99Å
91E89.7Confident89.5Confident63 Ų6352 Ų5229%0.29427%0.272SS..Hα-helixtrans-68.3-44.6-179.5-55.4-162.4161.700111.4N70 V87 F89 V94 Q95 S152N70-E91 WeakPolarHBondContact ND2-CG 3.31Å; N70-E91 PolarHBondContact ND2-OE1 3.14Å; V87-E91 HydrophobicContact CG1-CG 3.77Å; F89-E91 VanDerWaalsContact C-N 3.34Å; F89-E91 PolarHBondContact O-N 3.43Å; E91-V94 PolarHBondContact O-N 3.17Å; E91-Q95 PolarHBondContact O-N 2.88Å; E91-S152 WeakPolarHBondContact CG-OG 3.47Å; E91-S152 PolarHBondContact OE1-OG 3.27Å; E91-S152 PolarHBondContact OE2-OG 3.04Å
92E91.1Very high90.1Very high97 Ų9748.5 Ų48.545%0.45325%0.248SC..Hα-helixtrans-63.8-41.5174.5-60.189159.300110.9F38 F89 Q95 E96F38-E92 HydrophobicContact CD2-CB 3.98Å; F38-E92 HydrophobicContact CE2-CB 3.94Å; F89-E92 VanDerWaalsContact C-OE2 3.28Å; F89-E92 VanDerWaalsContact CA-OE2 3.31Å; F89-E92 WeakPolarHBondContact CA-OE2 3.15Å; E92-Q95 WeakPolarHBondContact O-CB 3.38Å; E92-Q95 PolarHBondContact O-N 3.23Å; E92-E96 PolarHBondContact O-N 3.1Å
93A92.5Very high90.4Very high0 Ų045 Ų450%023%0.229CC..Hα-helixtrans-64-43.1176.800000111.9L41 T42 F89 V90 Q95 E96 L97L41-A93 HydrophobicContact CB-CB 3.8Å; L41-A93 HydrophobicContact CD1-CB 4.1Å; T42-A93 HydrophobicContact CG2-CB 3.73Å; F89-A93 VanDerWaalsContact O-CB 3.26Å; F89-A93 WeakPolarHBondContact O-CB 3.42Å; F89-A93 PolarHBondContact O-N 3.1Å; V90-A93 PolarHBondContact O-N 3.32Å; A93-Q95 VanDerWaalsContact C-N 3.3Å; A93-Q95 PolarHBondContact O-N 3.43Å; A93-E96 PolarHBondContact O-N 3.28Å; A93-L97 WeakPolarHBondContact O-CB 3.33Å; A93-L97 WeakPolarHBondContact O-CD1 3.46Å; A93-L97 WeakPolarHBondContact O-CG 3.46Å; A93-L97 PolarHBondContact O-N 3.46Å
94V94.3Very high90.7Very high0 Ų044.3 Ų44.30%023%0.227CC..Hα-helixtrans-60.3-42.6174.2167.20000110.6L66 I67 V90 E91 E96 L97 C98 R156L66-V94 HydrophobicContact CB-CG2 3.78Å; L66-V94 HydrophobicContact CD1-CG2 4.23Å; I67-V94 HydrophobicContact CD1-CG1 4.14Å; I67-V94 HydrophobicContact CG1-CG1 3.75Å; I67-V94 HydrophobicContact CG1-CG2 4.08Å; V90-V94 HydrophobicContact CG1-CG2 4.32Å; V90-V94 WeakPolarHBondContact O-CB 3.48Å; V90-V94 VanDerWaalsContact O-CG2 3.25Å; V90-V94 WeakPolarHBondContact O-CG2 3.36Å; V90-V94 PolarHBondContact O-N 2.99Å; E91-V94 PolarHBondContact O-N 3.17Å; V94-E96 PolarHBondContact O-N 3.12Å; V94-L97 PolarHBondContact O-N 2.88Å; V94-C98 WeakPolarHBondContact O-CB 3.38Å; V94-C98 PolarHBondContact O-N 2.96Å; V94-C98 PolarHBondContact O-SG 3.47Å; V94-C98 VanDerWaalsContact O-SG 3.35Å; V94-R156 HydrophobicContact CG1-CB 4.48Å; V94-R156 HydrophobicContact CG1-CG 4.45Å
95Q93.2Very high91Very high86 Ų8640 Ų4040%0.40220%0.2SC..Hα-helixtrans-57.7-49.2176.4-175.766.720.600111.7E91 E92 A93 S99E91-Q95 PolarHBondContact O-N 2.88Å; E92-Q95 WeakPolarHBondContact O-CB 3.38Å; E92-Q95 PolarHBondContact O-N 3.23Å; A93-Q95 VanDerWaalsContact C-N 3.3Å; A93-Q95 PolarHBondContact O-N 3.43Å; Q95-S99 WeakPolarHBondContact O-CB 3.41Å; Q95-S99 PolarHBondContact O-N 3.48Å; Q95-S99 VanDerWaalsContact O-N 3.08Å; Q95-S99 PolarHBondContact O-OG 3.46Å
96E95.6Very high91.1Very high89 Ų8943.8 Ų43.842%0.41621%0.214SC..Hα-helixtrans-66.4-44.2-179.7-173.262.4-15900111.8F38 T42 I46 E92 A93 V94 S99 A100F38-E96 HydrophobicContact CE2-CB 4.23Å; F38-E96 HydrophobicContact CZ-CB 3.95Å; F38-E96 HydrophobicContact CZ-CG 4.03Å; T42-E96 HydrophobicContact CG2-CB 4.21Å; T42-E96 HydrophobicContact CG2-CG 4.35Å; I46-E96 HydrophobicContact CD1-CG 3.92Å; E92-E96 PolarHBondContact O-N 3.1Å; A93-E96 PolarHBondContact O-N 3.28Å; V94-E96 PolarHBondContact O-N 3.12Å; E96-S99 WeakPolarHBondContact O-CB 3.36Å; E96-S99 PolarHBondContact O-N 3.06Å; E96-A100 PolarHBondContact O-N 3.4Å
97L96Very high91.4Very high0 Ų043 Ų430%021%0.213CC..Hα-helixtrans-64.2-44.3-179.9-71.1164.7000112T42 P45 I46 Y62 V63 L66 A93 V94 S99 A100 F101T42-L97 HydrophobicContact CG2-CG 4.39Å; P45-L97 HydrophobicContact CB-CD2 3.75Å; P45-L97 HydrophobicContact CG-CD2 4.43Å; I46-L97 HydrophobicContact CD1-CD2 4.29Å; I46-L97 HydrophobicContact CG1-CD2 3.68Å; Y62-L97 HydrophobicContact CE1-CD1 4.17Å; V63-L97 HydrophobicContact CG2-CB 3.88Å; V63-L97 HydrophobicContact CG2-CD1 3.76Å; V63-L97 HydrophobicContact CG2-CG 4.27Å; L66-L97 HydrophobicContact CD1-CD1 4.06Å; A93-L97 WeakPolarHBondContact O-CB 3.33Å; A93-L97 WeakPolarHBondContact O-CD1 3.46Å; A93-L97 WeakPolarHBondContact O-CG 3.46Å; A93-L97 PolarHBondContact O-N 3.46Å; V94-L97 PolarHBondContact O-N 2.88Å; L97-S99 VanDerWaalsContact C-N 3.31Å; L97-S99 PolarHBondContact O-N 3.31Å; L97-A100 WeakPolarHBondContact O-CB 3.37Å; L97-A100 PolarHBondContact O-N 3.02Å; L97-F101 VanDerWaalsContact O-CD1 3.3Å; L97-F101 WeakPolarHBondContact O-CD1 3.27Å; L97-F101 VanDerWaalsContact O-CG 3.29Å; L97-F101 WeakPolarHBondContact O-CG 3.34Å; L97-F101 PolarHBondContact O-N 3Å
98C95.4Very high91.5Very high0 Ų046.2 Ų46.20%023%0.226CC..Hα-helixtrans-63.3-38.1174.1-71.30000111.7V94 A100 F101 E102 R156 L160V94-C98 WeakPolarHBondContact O-CB 3.38Å; V94-C98 PolarHBondContact O-N 2.96Å; V94-C98 PolarHBondContact O-SG 3.47Å; V94-C98 VanDerWaalsContact O-SG 3.35Å; C98-A100 VanDerWaalsContact C-N 3.35Å; C98-F101 WeakPolarHBondContact O-CB 3.49Å; C98-F101 PolarHBondContact O-N 2.85Å; C98-F101 VanDerWaalsContact O-N 3.14Å; C98-E102 PolarHBondContact O-N 3.42Å; C98-R156 HydrophobicContact CB-CG 3.84Å; C98-L160 HydrophobicContact CB-CD2 4.4Å
99S94.3Very high91.3Very high27 Ų2749 Ų4919%0.18924%0.24CC..Hα-helixtrans-64.4-40.1175.5-53.30000111.7Q95 E96 L97 F101 E102 D103 R156Q95-S99 WeakPolarHBondContact O-CB 3.41Å; Q95-S99 PolarHBondContact O-N 3.48Å; Q95-S99 VanDerWaalsContact O-N 3.08Å; Q95-S99 PolarHBondContact O-OG 3.46Å; E96-S99 WeakPolarHBondContact O-CB 3.36Å; E96-S99 PolarHBondContact O-N 3.06Å; L97-S99 VanDerWaalsContact C-N 3.31Å; L97-S99 PolarHBondContact O-N 3.31Å; S99-F101 VanDerWaalsContact C-N 3.25Å; S99-F101 PolarHBondContact O-N 2.81Å; S99-E102 PolarHBondContact O-N 3.1Å; S99-D103 PolarHBondContact O-N 2.84Å; S99-R156 PolarHBondContact OG-NH2 2.94Å
100A93Very high91.1Very high4 Ų449.3 Ų49.33%0.03324%0.241CC..Hα-helixtrans-62.5-31.5173.200000112.7I46 E96 L97 C98 F104I46-A100 HydrophobicContact CD1-CB 4.33Å; I46-A100 HydrophobicContact CG1-CB 4.03Å; I46-A100 HydrophobicContact CG2-CB 4.32Å; E96-A100 PolarHBondContact O-N 3.4Å; L97-A100 WeakPolarHBondContact O-CB 3.37Å; L97-A100 PolarHBondContact O-N 3.02Å; C98-A100 VanDerWaalsContact C-N 3.35Å; A100-F104 WeakPolarHBondContact O-CB 3.4Å; A100-F104 PolarHBondContact O-N 3.47Å; A100-F104 VanDerWaalsContact O-N 3.08Å
101F94.8Very high91Very high1 Ų149.4 Ų49.40%0.00424%0.241CC..Hα-helixtrans-68.6-46172.6-57.9-20000111.6F49 V59 L60 V63 L97 C98 S99 D103 F104 V105 L115 L160F49-F101 AromaticContact CD1-CD1 3.97Å; F49-F101 HydrophobicContact CD1-CD1 3.97Å; F49-F101 HydrophobicContact CD1-CE1 4.2Å; F49-F101 HydrophobicContact CD2-CD1 4.08Å; F49-F101 AromaticContact CD2-CE1 3.66Å; F49-F101 HydrophobicContact CD2-CE1 3.66Å; F49-F101 AromaticContact CE1-CD1 3.5Å; F49-F101 HydrophobicContact CE1-CD1 3.5Å; F49-F101 HydrophobicContact CE1-CE1 4.08Å; F49-F101 HydrophobicContact CE1-CG 4.48Å; F49-F101 AromaticContact CE2-CD1 3.63Å; F49-F101 HydrophobicContact CE2-CD1 3.63Å; F49-F101 AromaticContact CE2-CE1 3.54Å; F49-F101 HydrophobicContact CE2-CE1 3.54Å; F49-F101 HydrophobicContact CE2-CZ 4.42Å; F49-F101 HydrophobicContact CG-CD1 4.22Å; F49-F101 AromaticContact CG-CE1 3.99Å; F49-F101 HydrophobicContact CG-CE1 3.99Å; F49-F101 HydrophobicContact CZ-CB 4.48Å; F49-F101 AromaticContact CZ-CD1 3.31Å; F49-F101 HydrophobicContact CZ-CD1 3.31Å; F49-F101 AromaticContact CZ-CE1 3.75Å; F49-F101 HydrophobicContact CZ-CE1 3.75Å; F49-F101 HydrophobicContact CZ-CG 4.12Å; V59-F101 HydrophobicContact CG1-CE1 4.01Å; V59-F101 HydrophobicContact CG1-CZ 4.08Å; L60-F101 HydrophobicContact CD2-CD2 4.13Å; L60-F101 HydrophobicContact CD2-CE1 4.41Å; L60-F101 HydrophobicContact CD2-CE2 3.69Å; L60-F101 HydrophobicContact CD2-CZ 3.83Å; V63-F101 HydrophobicContact CB-CE2 4.19Å; V63-F101 HydrophobicContact CB-CZ 4.24Å; V63-F101 HydrophobicContact CG1-CE2 4.11Å; V63-F101 HydrophobicContact CG2-CE2 4.04Å; V63-F101 HydrophobicContact CG2-CZ 3.68Å; L97-F101 VanDerWaalsContact O-CD1 3.3Å; L97-F101 WeakPolarHBondContact O-CD1 3.27Å; L97-F101 VanDerWaalsContact O-CG 3.29Å; L97-F101 WeakPolarHBondContact O-CG 3.34Å; L97-F101 PolarHBondContact O-N 3Å; C98-F101 WeakPolarHBondContact O-CB 3.49Å; C98-F101 PolarHBondContact O-N 2.85Å; C98-F101 VanDerWaalsContact O-N 3.14Å; S99-F101 VanDerWaalsContact C-N 3.25Å; S99-F101 PolarHBondContact O-N 2.81Å; F101-D103 PolarHBondContact O-N 2.71Å; F101-F104 PolarHBondContact O-N 3.41Å; F101-V105 WeakPolarHBondContact O-CG2 3.4Å; F101-V105 PolarHBondContact O-N 2.97Å; F101-L115 HydrophobicContact CB-CD1 4.22Å; F101-L115 HydrophobicContact CB-CD2 4.29Å; F101-L115 HydrophobicContact CD2-CD1 4.14Å; F101-L115 HydrophobicContact CG-CD1 4.44Å; F101-L160 HydrophobicContact CD2-CD2 4.46Å
102E93.3Very high91Very high20 Ų2047.5 Ų47.59%0.09323%0.233CC..Hα-helixtrans-58-47.6175.5-64178.1-165.200111.6C98 S99 F104 V105 R106 R156 L160 F163C98-E102 PolarHBondContact O-N 3.42Å; S99-E102 PolarHBondContact O-N 3.1Å; E102-F104 VanDerWaalsContact C-N 3.27Å; E102-F104 PolarHBondContact O-N 2.97Å; E102-V105 PolarHBondContact O-N 2.83Å; E102-R106 WeakPolarHBondContact O-CG 3.29Å; E102-R106 PolarHBondContact O-N 3.22Å; E102-R106 IonicContact OE2-CZ 2.69Å; E102-R106 IonicContact OE2-NH1 3.92Å; E102-R106 IonicContact OE2-NH2 2.84Å; E102-R106 PolarHBondContact OE2-NH2 3.31Å; E102-R156 IonicContact OE1-CZ 3.48Å; E102-R156 IonicContact OE1-NH1 3.68Å; E102-R156 PolarHBondContact OE1-NH1 3.28Å; E102-R156 IonicContact OE1-NH2 3.75Å; E102-R156 PolarHBondContact OE1-NH2 3.03Å; E102-R156 IonicContact OE2-NH2 3.2Å; E102-L160 HydrophobicContact CG-CD1 3.58Å; E102-F163 HydrophobicContact CB-CD1 4.31Å; E102-F163 HydrophobicContact CB-CD2 4.44Å; E102-F163 HydrophobicContact CB-CE1 4.01Å; E102-F163 HydrophobicContact CB-CE2 4.16Å; E102-F163 HydrophobicContact CB-CZ 3.92Å; E102-F163 HydrophobicContact CG-CB 4.45Å; E102-F163 HydrophobicContact CG-CD1 3.8Å; E102-F163 HydrophobicContact CG-CD2 4.15Å; E102-F163 HydrophobicContact CG-CE1 4.02Å; E102-F163 HydrophobicContact CG-CE2 4.36Å; E102-F163 HydrophobicContact CG-CG 3.86Å; E102-F163 HydrophobicContact CG-CZ 4.28Å
103D92.2Very high90.7Very high70 Ų7051.2 Ų51.237%0.37425%0.247SC..Hα-helixtrans-60.5-38.4177.9-75.6-18000112.3S99 F101 R106 Q107S99-D103 PolarHBondContact O-N 2.84Å; F101-D103 PolarHBondContact O-N 2.71Å; D103-R106 PolarHBondContact O-N 2.93Å; D103-R106 IonicContact OD1-CZ 3.7Å; D103-R106 IonicContact OD1-NH1 3.64Å; D103-R106 PolarHBondContact OD1-NH1 3.19Å; D103-Q107 WeakPolarHBondContact O-CG 3.38Å; D103-Q107 PolarHBondContact O-N 3.49Å
104F91.6Very high90.6Very high10 Ų1055.3 Ų55.34%0.04427%0.269CS..Hα-helixtrans-67.6-41.3176.8-172.9-100000111.8F49 A100 F101 E102 R106 Q107 Q108 F110 F111F49-F104 HydrophobicContact CD1-CB 4.4Å; F49-F104 HydrophobicContact CD1-CG 4.32Å; F49-F104 HydrophobicContact CE1-CB 3.62Å; F49-F104 AromaticContact CE1-CD1 3.78Å; F49-F104 HydrophobicContact CE1-CD1 3.78Å; F49-F104 HydrophobicContact CE1-CD2 4.31Å; F49-F104 AromaticContact CE1-CG 3.63Å; F49-F104 HydrophobicContact CE1-CG 3.63Å; F49-F104 HydrophobicContact CZ-CD1 4.15Å; F49-F104 HydrophobicContact CZ-CG 4.44Å; A100-F104 WeakPolarHBondContact O-CB 3.4Å; A100-F104 PolarHBondContact O-N 3.47Å; A100-F104 VanDerWaalsContact O-N 3.08Å; F101-F104 PolarHBondContact O-N 3.41Å; E102-F104 VanDerWaalsContact C-N 3.27Å; E102-F104 PolarHBondContact O-N 2.97Å; F104-R106 VanDerWaalsContact C-N 3.34Å; F104-R106 PolarHBondContact O-N 3.42Å; F104-Q107 CarbonylContact O-C 3.57Å; F104-Q107 PolarHBondContact O-N 3.07Å; F104-Q107 VanDerWaalsContact O-N 3.14Å; F104-Q108 HydrophobicContact CD1-CB 4.39Å; F104-Q108 HydrophobicContact CE1-CB 3.93Å; F104-Q108 HydrophobicContact CE1-CG 4.32Å; F104-Q108 HydrophobicContact CE2-CB 4.46Å; F104-Q108 HydrophobicContact CE2-CG 3.99Å; F104-Q108 HydrophobicContact CZ-CB 3.94Å; F104-Q108 HydrophobicContact CZ-CG 3.81Å; F104-Q108 WeakPolarHBondContact O-CB 3.32Å; F104-Q108 PolarHBondContact O-N 3.34Å; F104-F110 HydrophobicContact CE1-CZ 4.47Å; F104-F110 HydrophobicContact CZ-CZ 4.42Å; F104-F111 HydrophobicContact CD1-CB 3.94Å; F104-F111 AromaticContact CD1-CD1 3.81Å; F104-F111 HydrophobicContact CD1-CD1 3.81Å; F104-F111 HydrophobicContact CD1-CD2 4.38Å; F104-F111 HydrophobicContact CD1-CE1 4.46Å; F104-F111 AromaticContact CD1-CG 3.77Å; F104-F111 HydrophobicContact CD1-CG 3.77Å; F104-F111 HydrophobicContact CE1-CB 3.73Å; F104-F111 HydrophobicContact CE1-CD1 4.25Å; F104-F111 HydrophobicContact CE1-CD2 4.03Å; F104-F111 AromaticContact CE1-CG 3.72Å; F104-F111 HydrophobicContact CE1-CG 3.72Å
105V89.2Confident90.6Very high7 Ų755.3 Ų55.34%0.04227%0.269CS..Hα-helixtrans-61.4-43.2175172.40000111.1F101 E102 Q107 Q108 S109 F111 M112 L115 F163F101-V105 WeakPolarHBondContact O-CG2 3.4Å; F101-V105 PolarHBondContact O-N 2.97Å; E102-V105 PolarHBondContact O-N 2.83Å; V105-Q107 PolarHBondContact O-N 3.5Å; V105-Q108 CarbonylContact O-C 3.58Å; V105-Q108 VanDerWaalsContact O-C 3.31Å; V105-Q108 PolarHBondContact O-N 2.96Å; V105-Q108 VanDerWaalsContact O-N 3.16Å; V105-S109 PolarHBondContact O-N 3.38Å; V105-F111 HydrophobicContact CG2-CD1 3.79Å; V105-M112 HydrophobicContact CG1-CB 4.25Å; V105-M112 HydrophobicContact CG1-SD 3.56Å; V105-M112 VanDerWaalsContact CG1-SD 3.56Å; V105-L115 HydrophobicContact CG2-CD2 3.57Å; V105-F163 HydrophobicContact CB-CE1 3.97Å; V105-F163 HydrophobicContact CB-CZ 4.23Å; V105-F163 HydrophobicContact CG1-CE1 3.92Å; V105-F163 HydrophobicContact CG1-CZ 4.16Å; V105-F163 HydrophobicContact CG2-CE1 4.37Å
106R87.4Confident90.4Very high128 Ų12852 Ų5248%0.48326%0.255SS..Hα-helixtrans-57.4-31.6175.6-69.2173.5-169.91159.3112.1E102 D103 F104 F163E102-R106 WeakPolarHBondContact O-CG 3.29Å; E102-R106 PolarHBondContact O-N 3.22Å; E102-R106 IonicContact OE2-CZ 2.69Å; E102-R106 IonicContact OE2-NH1 3.92Å; E102-R106 IonicContact OE2-NH2 2.84Å; E102-R106 PolarHBondContact OE2-NH2 3.31Å; D103-R106 PolarHBondContact O-N 2.93Å; D103-R106 IonicContact OD1-CZ 3.7Å; D103-R106 IonicContact OD1-NH1 3.64Å; D103-R106 PolarHBondContact OD1-NH1 3.19Å; F104-R106 VanDerWaalsContact C-N 3.34Å; F104-R106 PolarHBondContact O-N 3.42Å; R106-F163 HydrophobicContact CG-CE2 4.43Å; R106-F163 HydrophobicContact CG-CZ 4.19Å
107Q87.7Confident90.1Very high138 Ų13853.7 Ų53.765%0.64526%0.261SS*.Hα-helixtrans-88-31.3176.8-66.4173.917.200113.7D103 F104 V105D103-Q107 WeakPolarHBondContact O-CG 3.38Å; D103-Q107 PolarHBondContact O-N 3.49Å; F104-Q107 CarbonylContact O-C 3.57Å; F104-Q107 PolarHBondContact O-N 3.07Å; F104-Q107 VanDerWaalsContact O-N 3.14Å; V105-Q107 PolarHBondContact O-N 3.5Å
108Q86.3Confident90Very high84 Ų8454.3 Ų54.339%0.39326%0.263SS..  trans-136.785-169.2-65.1-63.5-25.200110.3F104 V105 F110 F111F104-Q108 HydrophobicContact CD1-CB 4.39Å; F104-Q108 HydrophobicContact CE1-CB 3.93Å; F104-Q108 HydrophobicContact CE1-CG 4.32Å; F104-Q108 HydrophobicContact CE2-CB 4.46Å; F104-Q108 HydrophobicContact CE2-CG 3.99Å; F104-Q108 HydrophobicContact CZ-CB 3.94Å; F104-Q108 HydrophobicContact CZ-CG 3.81Å; F104-Q108 WeakPolarHBondContact O-CB 3.32Å; F104-Q108 PolarHBondContact O-N 3.34Å; V105-Q108 CarbonylContact O-C 3.58Å; V105-Q108 VanDerWaalsContact O-C 3.31Å; V105-Q108 PolarHBondContact O-N 2.96Å; V105-Q108 VanDerWaalsContact O-N 3.16Å; Q108-F110 HydrophobicContact CB-CD1 3.99Å; Q108-F110 HydrophobicContact CB-CE1 3.64Å; Q108-F110 HydrophobicContact CB-CZ 4.34Å; Q108-F110 HydrophobicContact CG-CE1 4.05Å; Q108-F110 PolarHBondContact O-N 2.69Å; Q108-F110 VanDerWaalsContact O-N 3.1Å; Q108-F110 VanDerWaalsContact OE1-CE1 3.27Å; Q108-F111 WeakPolarHBondContact O-CB 3.45Å; Q108-F111 PolarHBondContact O-N 3.36Å; Q108-F111 VanDerWaalsContact O-N 3.08Å
109S81.9Confident89.9Confident102 Ų10254.3 Ų54.371%0.71326%0.263SS*.G310 helixtrans-58.4-27.1-175.160.10000114.4V105 F111 M112V105-S109 PolarHBondContact O-N 3.38Å; S109-F111 PolarHBondContact O-N 2.85Å; S109-F111 VanDerWaalsContact O-N 3.16Å; S109-M112 WeakPolarHBondContact O-CB 3.36Å; S109-M112 PolarHBondContact O-N 3.43Å; S109-M112 VanDerWaalsContact O-N 3.15Å
110F84.1Confident89.6Confident110 Ų11053.1 Ų53.148%0.48226%0.255SS..G310 helixtrans-60.2-26.6178.176.4-98.2000112.9F104 Q108 M112F104-F110 HydrophobicContact CE1-CZ 4.47Å; F104-F110 HydrophobicContact CZ-CZ 4.42Å; Q108-F110 HydrophobicContact CB-CD1 3.99Å; Q108-F110 HydrophobicContact CB-CE1 3.64Å; Q108-F110 HydrophobicContact CB-CZ 4.34Å; Q108-F110 HydrophobicContact CG-CE1 4.05Å; Q108-F110 PolarHBondContact O-N 2.69Å; Q108-F110 VanDerWaalsContact O-N 3.1Å; Q108-F110 VanDerWaalsContact OE1-CE1 3.27Å; F110-M112 VanDerWaalsContact C-N 3.26Å; F110-M112 PolarHBondContact O-N 2.84Å
111F88.6Confident89.5Confident2 Ų255.6 Ų55.61%0.00927%0.268CS..G310 helixtrans-75-18.4-177.6-170.8-103.7000112.8F49 R56 L60 F104 V105 Q108 S109 K113 I114 L115F49-F111 HydrophobicContact CE1-CE1 4.48Å; F49-F111 HydrophobicContact CE2-CE1 4.08Å; F49-F111 HydrophobicContact CE2-CE2 4.2Å; F49-F111 AromaticContact CE2-CZ 3.54Å; F49-F111 HydrophobicContact CE2-CZ 3.54Å; F49-F111 HydrophobicContact CZ-CD1 4.24Å; F49-F111 AromaticContact CZ-CE1 3.44Å; F49-F111 HydrophobicContact CZ-CE1 3.44Å; F49-F111 VanDerWaalsContact CZ-CE1 3.44Å; F49-F111 HydrophobicContact CZ-CE2 4.14Å; F49-F111 AromaticContact CZ-CZ 3.38Å; F49-F111 HydrophobicContact CZ-CZ 3.38Å; R56-F111 HydrophobicContact CB-CE2 4.38Å; L60-F111 HydrophobicContact CD1-CZ 3.99Å; L60-F111 HydrophobicContact CD2-CZ 4.38Å; L60-F111 HydrophobicContact CG-CZ 4.46Å; F104-F111 HydrophobicContact CD1-CB 3.94Å; F104-F111 AromaticContact CD1-CD1 3.81Å; F104-F111 HydrophobicContact CD1-CD1 3.81Å; F104-F111 HydrophobicContact CD1-CD2 4.38Å; F104-F111 HydrophobicContact CD1-CE1 4.46Å; F104-F111 AromaticContact CD1-CG 3.77Å; F104-F111 HydrophobicContact CD1-CG 3.77Å; F104-F111 HydrophobicContact CE1-CB 3.73Å; F104-F111 HydrophobicContact CE1-CD1 4.25Å; F104-F111 HydrophobicContact CE1-CD2 4.03Å; F104-F111 AromaticContact CE1-CG 3.72Å; F104-F111 HydrophobicContact CE1-CG 3.72Å; V105-F111 HydrophobicContact CG2-CD1 3.79Å; Q108-F111 WeakPolarHBondContact O-CB 3.45Å; Q108-F111 PolarHBondContact O-N 3.36Å; Q108-F111 VanDerWaalsContact O-N 3.08Å; S109-F111 PolarHBondContact O-N 2.85Å; S109-F111 VanDerWaalsContact O-N 3.16Å; F111-K113 VanDerWaalsContact C-N 3.27Å; F111-K113 PolarHBondContact O-N 3.4Å; F111-I114 HydrophobicContact CD2-CB 4.18Å; F111-I114 HydrophobicContact CD2-CD1 4.13Å; F111-I114 HydrophobicContact CD2-CG2 4.5Å; F111-I114 HydrophobicContact CE2-CB 4.11Å; F111-I114 HydrophobicContact CE2-CD1 4.42Å; F111-I114 HydrophobicContact CE2-CG2 3.95Å; F111-I114 HydrophobicContact CZ-CG2 4.39Å; F111-I114 PolarHBondContact O-N 2.81Å; F111-L115 HydrophobicContact CD1-CB 4.02Å; F111-L115 HydrophobicContact CE1-CB 3.75Å; F111-L115 HydrophobicContact CE1-CD1 4.13Å; F111-L115 HydrophobicContact CE1-CG 4.35Å; F111-L115 PolarHBondContact O-N 3.47Å
112M89.1Confident89.4Confident23 Ų2356 Ų5611%0.11327%0.269CS..Hα-helixtrans-50.4-45.6179.9-171.267-108.700112.2V105 S109 F110 I114 L115 S116 C164 Q167 T168V105-M112 HydrophobicContact CG1-CB 4.25Å; V105-M112 HydrophobicContact CG1-SD 3.56Å; V105-M112 VanDerWaalsContact CG1-SD 3.56Å; S109-M112 WeakPolarHBondContact O-CB 3.36Å; S109-M112 PolarHBondContact O-N 3.43Å; S109-M112 VanDerWaalsContact O-N 3.15Å; F110-M112 VanDerWaalsContact C-N 3.26Å; F110-M112 PolarHBondContact O-N 2.84Å; M112-I114 VanDerWaalsContact C-N 3.33Å; M112-I114 PolarHBondContact O-N 3.09Å; M112-L115 PolarHBondContact O-N 3.09Å; M112-S116 VanDerWaalsContact O-CB 3.23Å; M112-S116 WeakPolarHBondContact O-CB 3.36Å; M112-S116 PolarHBondContact O-N 2.9Å; M112-S116 PolarHBondContact O-OG 3.14Å; M112-C164 HydrophobicContact CE-CB 3.43Å; M112-C164 VanDerWaalsContact CE-CB 3.43Å; M112-C164 WeakPolarHBondContact CE-SG 3.33Å; M112-Q167 HydrophobicContact SD-CB 4.21Å; M112-T168 HydrophobicContact CG-CG2 4.17Å
113K85.3Confident89.2Confident174 Ų17455 Ų5576%0.75727%0.265SS*.Hα-helixtrans-64.1-36-179.5-174.7176.3-178.1177.20113.1F111 S116 K117F111-K113 VanDerWaalsContact C-N 3.27Å; F111-K113 PolarHBondContact O-N 3.4Å; K113-S116 PolarHBondContact O-OG 3.45Å; K113-K117 WeakPolarHBondContact O-CB 3.22Å; K113-K117 PolarHBondContact O-N 3.33Å
114I90.3Very high88.9Confident87 Ų8751.7 Ų51.745%0.44625%0.248SC..Hα-helixtrans-72.9-46.8179.6-60.6173.1000109L60 F111 M112 K117 W118L60-I114 HydrophobicContact CD1-CG2 4.08Å; F111-I114 HydrophobicContact CD2-CB 4.18Å; F111-I114 HydrophobicContact CD2-CD1 4.13Å; F111-I114 HydrophobicContact CD2-CG2 4.5Å; F111-I114 HydrophobicContact CE2-CB 4.11Å; F111-I114 HydrophobicContact CE2-CD1 4.42Å; F111-I114 HydrophobicContact CE2-CG2 3.95Å; F111-I114 HydrophobicContact CZ-CG2 4.39Å; F111-I114 PolarHBondContact O-N 2.81Å; M112-I114 VanDerWaalsContact C-N 3.33Å; M112-I114 PolarHBondContact O-N 3.09Å; I114-K117 PolarHBondContact O-N 2.96Å; I114-W118 WeakPolarHBondContact O-CB 3.16Å; I114-W118 PolarHBondContact O-N 2.96Å
115L92.4Very high88.7Confident0 Ų056.5 Ų56.50%027%0.27CS..Hα-helixtrans-62.7-47.2179.3-17462.6000111.6L60 F101 V105 F111 M112 K117 W118 V119 L160L60-L115 HydrophobicContact CD2-CD1 4.12Å; F101-L115 HydrophobicContact CB-CD1 4.22Å; F101-L115 HydrophobicContact CB-CD2 4.29Å; F101-L115 HydrophobicContact CD2-CD1 4.14Å; F101-L115 HydrophobicContact CG-CD1 4.44Å; V105-L115 HydrophobicContact CG2-CD2 3.57Å; F111-L115 HydrophobicContact CD1-CB 4.02Å; F111-L115 HydrophobicContact CE1-CB 3.75Å; F111-L115 HydrophobicContact CE1-CD1 4.13Å; F111-L115 HydrophobicContact CE1-CG 4.35Å; F111-L115 PolarHBondContact O-N 3.47Å; M112-L115 PolarHBondContact O-N 3.09Å; L115-K117 VanDerWaalsContact C-N 3.32Å; L115-K117 PolarHBondContact O-N 2.75Å; L115-W118 HydrophobicContact CD1-CE3 4.1Å; L115-W118 PolarHBondContact O-N 2.89Å; L115-W118 VanDerWaalsContact O-N 3.15Å; L115-V119 HydrophobicContact CD1-CG2 4.38Å; L115-V119 HydrophobicContact CG-CG2 4.33Å; L115-V119 WeakPolarHBondContact O-CG2 3.4Å; L115-V119 PolarHBondContact O-N 2.93Å; L115-L160 HydrophobicContact CD1-CD2 4.17Å; L115-L160 HydrophobicContact CD2-CD1 4.21Å
116S89.4Confident88.6Confident17 Ų1756.2 Ų56.212%0.11927%0.268CS..Hα-helixtrans-61.4-42.2-177.773.40000111.4M112 K113 V119 V120M112-S116 VanDerWaalsContact O-CB 3.23Å; M112-S116 WeakPolarHBondContact O-CB 3.36Å; M112-S116 PolarHBondContact O-N 2.9Å; M112-S116 PolarHBondContact O-OG 3.14Å; K113-S116 PolarHBondContact O-OG 3.45Å; S116-V119 PolarHBondContact O-N 2.68Å; S116-V120 WeakPolarHBondContact O-CG2 3.24Å; S116-V120 PolarHBondContact O-N 3.37Å
117K89.8Confident88.5Confident123 Ų12350.3 Ų50.354%0.53525%0.247SC..Hα-helixtrans-60.9-48173.1177.9168.517446.10111.7K113 I114 L115 V119 V120 D121K113-K117 WeakPolarHBondContact O-CB 3.22Å; K113-K117 PolarHBondContact O-N 3.33Å; I114-K117 PolarHBondContact O-N 2.96Å; L115-K117 VanDerWaalsContact C-N 3.32Å; L115-K117 PolarHBondContact O-N 2.75Å; K117-V119 VanDerWaalsContact C-N 3.34Å; K117-V119 PolarHBondContact O-N 3.33Å; K117-V120 PolarHBondContact O-N 2.85Å; K117-D121 WeakPolarHBondContact CE-OD2 3.35Å; K117-D121 WeakPolarHBondContact CG-OD2 3.39Å; K117-D121 IonicContact NZ-OD1 2.72Å; K117-D121 PolarHBondContact NZ-OD1 2.88Å; K117-D121 IonicContact NZ-OD2 2.98Å; K117-D121 PolarHBondContact NZ-OD2 2.9Å; K117-D121 WeakPolarHBondContact O-CB 3.38Å; K117-D121 VanDerWaalsContact O-CG 3.25Å; K117-D121 PolarHBondContact O-N 3.3Å
118W94.6Very high88.2Confident13 Ų1349.1 Ų49.15%0.04924%0.239CC..Hα-helixtrans-61.3-41.9178.9176.286.3000112L60 V63 A64 I67 I114 L115 D121 N122 L157 L160L60-W118 HydrophobicContact CB-CD2 4.36Å; L60-W118 HydrophobicContact CB-CG 4.2Å; L60-W118 HydrophobicContact CD1-CB 4.32Å; L60-W118 HydrophobicContact CD1-CG 4.19Å; L60-W118 HydrophobicContact CD2-CD2 3.9Å; L60-W118 HydrophobicContact CD2-CE3 4.17Å; L60-W118 HydrophobicContact CD2-CG 4.18Å; L60-W118 HydrophobicContact CG-CG 4.44Å; L60-W118 WeakPolarHBondContact O-CZ2 3.27Å; L60-W118 PolarHBondContact O-NE1 3.28Å; L60-W118 VanDerWaalsContact O-NE1 3.17Å; V63-W118 HydrophobicContact CB-CH2 4.39Å; V63-W118 HydrophobicContact CB-CZ2 4.25Å; V63-W118 HydrophobicContact CG1-CH2 3.92Å; V63-W118 HydrophobicContact CG1-CZ2 4.24Å; A64-W118 HydrophobicContact CB-CZ2 3.8Å; I67-W118 HydrophobicContact CD1-CH2 4.07Å; I114-W118 WeakPolarHBondContact O-CB 3.16Å; I114-W118 PolarHBondContact O-N 2.96Å; L115-W118 HydrophobicContact CD1-CE3 4.1Å; L115-W118 PolarHBondContact O-N 2.89Å; L115-W118 VanDerWaalsContact O-N 3.15Å; W118-D121 PolarHBondContact O-N 2.81Å; W118-N122 PolarHBondContact NE1-ND2 2.98Å; W118-N122 VanDerWaalsContact NE1-ND2 3.1Å; W118-N122 WeakPolarHBondContact O-CB 3.4Å; W118-N122 PolarHBondContact O-N 3.02Å; W118-N122 PolarHBondContact O-ND2 3.5Å; W118-L157 HydrophobicContact CH2-CD1 4.21Å; W118-L157 HydrophobicContact CZ3-CD1 3.82Å; W118-L160 HydrophobicContact CZ3-CD2 4.01Å
119V93Very high88Confident0 Ų047.3 Ų47.30%024%0.236CC..Hα-helixtrans-61.4-45.8176.2171.70000111L115 S116 K117 N122 L123 L157 L160 L161L115-V119 HydrophobicContact CD1-CG2 4.38Å; L115-V119 HydrophobicContact CG-CG2 4.33Å; L115-V119 WeakPolarHBondContact O-CG2 3.4Å; L115-V119 PolarHBondContact O-N 2.93Å; S116-V119 PolarHBondContact O-N 2.68Å; K117-V119 VanDerWaalsContact C-N 3.34Å; K117-V119 PolarHBondContact O-N 3.33Å; V119-N122 PolarHBondContact O-N 3.42Å; V119-L123 HydrophobicContact CG1-CD1 3.81Å; V119-L123 HydrophobicContact CG1-CG 4.41Å; V119-L123 WeakPolarHBondContact O-CB 3.31Å; V119-L123 WeakPolarHBondContact O-CG 3.25Å; V119-L123 PolarHBondContact O-N 3.39Å; V119-L157 HydrophobicContact CB-CD1 4.43Å; V119-L157 HydrophobicContact CG1-CD1 4.11Å; V119-L157 HydrophobicContact CG2-CD1 4.21Å; V119-L160 HydrophobicContact CG2-CB 4.42Å; V119-L160 HydrophobicContact CG2-CD2 3.72Å; V119-L160 HydrophobicContact CG2-CG 3.87Å; V119-L161 HydrophobicContact CG1-CB 3.69Å; V119-L161 HydrophobicContact CG1-CD1 4.13Å; V119-L161 HydrophobicContact CG1-CG 4.49Å
120V88.4Confident87.6Confident3 Ų342.5 Ų42.52%0.01820%0.203CC..Hα-helixtrans-60.6-50.2177164.40000111.7S116 K117 N122 L123 A124 L179 L183 T186S116-V120 WeakPolarHBondContact O-CG2 3.24Å; S116-V120 PolarHBondContact O-N 3.37Å; K117-V120 PolarHBondContact O-N 2.85Å; V120-N122 VanDerWaalsContact C-N 3.28Å; V120-N122 PolarHBondContact O-N 2.96Å; V120-L123 PolarHBondContact O-N 2.74Å; V120-A124 WeakPolarHBondContact O-CB 3.37Å; V120-A124 PolarHBondContact O-N 2.83Å; V120-L179 HydrophobicContact CG2-CD1 3.52Å; V120-L183 HydrophobicContact CB-CD1 4.4Å; V120-L183 HydrophobicContact CG1-CB 4.33Å; V120-L183 HydrophobicContact CG1-CD1 4.18Å; V120-L183 HydrophobicContact CG2-CB 3.95Å; V120-L183 HydrophobicContact CG2-CD1 4.08Å; V120-T186 HydrophobicContact CG1-CG2 4.37Å
121D90.2Very high87Confident56 Ų5641.4 Ų41.430%0.29920%0.199SC..Hα-helixtrans-59.8-42.1-177.1-70-22.8000110.3K117 W118 A124 E125K117-D121 WeakPolarHBondContact CE-OD2 3.35Å; K117-D121 WeakPolarHBondContact CG-OD2 3.39Å; K117-D121 IonicContact NZ-OD1 2.72Å; K117-D121 PolarHBondContact NZ-OD1 2.88Å; K117-D121 IonicContact NZ-OD2 2.98Å; K117-D121 PolarHBondContact NZ-OD2 2.9Å; K117-D121 WeakPolarHBondContact O-CB 3.38Å; K117-D121 VanDerWaalsContact O-CG 3.25Å; K117-D121 PolarHBondContact O-N 3.3Å; W118-D121 PolarHBondContact O-N 2.81Å; D121-A124 PolarHBondContact O-N 3.09Å; D121-E125 PolarHBondContact O-N 3.3Å
122N92.2Very high86.2Confident8 Ų846.1 Ų46.14%0.04323%0.232CC..Hα-helixtrans-71-42.4178.2-79.6-82.2000113.8A64 H68 W118 V119 V120 A124 E125 L126 L157A64-N122 WeakPolarHBondContact CB-OD1 3.37Å; H68-N122 PolarHBondContact CD2-OD1 3.43Å; H68-N122 PolarHBondContact NE2-OD1 2.8Å; W118-N122 PolarHBondContact NE1-ND2 2.98Å; W118-N122 VanDerWaalsContact NE1-ND2 3.1Å; W118-N122 WeakPolarHBondContact O-CB 3.4Å; W118-N122 PolarHBondContact O-N 3.02Å; W118-N122 PolarHBondContact O-ND2 3.5Å; V119-N122 PolarHBondContact O-N 3.42Å; V120-N122 VanDerWaalsContact C-N 3.28Å; V120-N122 PolarHBondContact O-N 2.96Å; N122-A124 PolarHBondContact O-N 3.35Å; N122-E125 PolarHBondContact O-N 3.01Å; N122-L126 WeakPolarHBondContact O-CG 3.32Å; N122-L126 PolarHBondContact O-N 3.41Å; N122-L157 HydrophobicContact CB-CD2 3.9Å
123L90.1Very high85.6Confident0 Ų046.8 Ų46.80%023%0.233CC..Hα-helixtrans-63.6-34.7175.2-78.3173.1000111.7V119 V120 S127 L157 L158 L161 L183 W193 I194V119-L123 HydrophobicContact CG1-CD1 3.81Å; V119-L123 HydrophobicContact CG1-CG 4.41Å; V119-L123 WeakPolarHBondContact O-CB 3.31Å; V119-L123 WeakPolarHBondContact O-CG 3.25Å; V119-L123 PolarHBondContact O-N 3.39Å; V120-L123 PolarHBondContact O-N 2.74Å; L123-S127 WeakPolarHBondContact O-CB 3.4Å; L123-S127 PolarHBondContact O-N 3.2Å; L123-S127 PolarHBondContact O-OG 2.93Å; L123-L157 HydrophobicContact CD2-CB 4.41Å; L123-L157 HydrophobicContact CD2-CD2 3.66Å; L123-L157 HydrophobicContact CD2-CG 3.82Å; L123-L157 HydrophobicContact CG-CD2 3.75Å; L123-L157 HydrophobicContact CG-CG 3.86Å; L123-L158 HydrophobicContact CD2-CD2 4.12Å; L123-L158 HydrophobicContact CD2-CG 4.46Å; L123-L161 HydrophobicContact CD1-CB 3.93Å; L123-L161 HydrophobicContact CD1-CD2 3.6Å; L123-L161 HydrophobicContact CD1-CG 4.22Å; L123-L183 HydrophobicContact CB-CD1 4.41Å; L123-W193 HydrophobicContact CD2-CH2 4.06Å; L123-I194 HydrophobicContact CB-CD1 3.9Å; L123-I194 HydrophobicContact CD1-CG2 4.41Å; L123-I194 HydrophobicContact CD2-CD1 4.47Å
124A85.3Confident84.8Confident1 Ų145.4 Ų45.41%0.00823%0.233CC..Hα-helixtrans-69.1-39.7176.200000112.3V120 D121 N122 S127 K128 T186 C187V120-A124 WeakPolarHBondContact O-CB 3.37Å; V120-A124 PolarHBondContact O-N 2.83Å; D121-A124 PolarHBondContact O-N 3.09Å; N122-A124 PolarHBondContact O-N 3.35Å; A124-S127 PolarHBondContact O-N 3.48Å; A124-K128 VanDerWaalsContact O-CG 3.3Å; A124-K128 WeakPolarHBondContact O-CG 3.47Å; A124-K128 PolarHBondContact O-N 3.32Å; A124-T186 HydrophobicContact CB-CG2 3.67Å; A124-C187 HydrophobicContact CB-CB 3.73Å
125E88Confident83.6Confident110 Ų11043.5 Ų43.551%0.51424%0.235SC..Hα-helixtrans-66.9-39.6173.9-175.6172-15900112.4H68 D121 N122 S127 K128 S129H68-E125 IonicContact CE1-OE2 3.18Å; H68-E125 IonicContact NE2-OE2 2.84Å; H68-E125 PolarHBondContact NE2-OE2 3.17Å; D121-E125 PolarHBondContact O-N 3.3Å; N122-E125 PolarHBondContact O-N 3.01Å; E125-S127 VanDerWaalsContact C-N 3.33Å; E125-S127 PolarHBondContact O-N 2.96Å; E125-K128 PolarHBondContact O-N 3.45Å; E125-S129 WeakPolarHBondContact O-CB 3.25Å; E125-S129 PolarHBondContact O-N 3.27Å; E125-S129 PolarHBondContact O-OG 3.01Å; E125-S129 VanDerWaalsContact O-OG 3.12Å
126L86.8Confident82.6Confident2 Ų243.8 Ų43.81%0.0124%0.236CC..Hα-helixtrans-60-44.2171.5-75.5-177.7000111.6I67 H68 V71 N122 K128 S129 G130 Y148 L157I67-L126 HydrophobicContact CG2-CD1 4.33Å; H68-L126 VanDerWaalsContact ND1-CD2 3.25Å; H68-L126 WeakPolarHBondContact ND1-CD2 3.34Å; V71-L126 HydrophobicContact CB-CD2 3.88Å; V71-L126 HydrophobicContact CG1-CD2 3.73Å; V71-L126 HydrophobicContact CG2-CD1 4.4Å; V71-L126 HydrophobicContact CG2-CD2 4.15Å; N122-L126 WeakPolarHBondContact O-CG 3.32Å; N122-L126 PolarHBondContact O-N 3.41Å; L126-K128 PolarHBondContact O-N 2.91Å; L126-S129 WeakPolarHBondContact CA-OG 3.46Å; L126-S129 PolarHBondContact O-N 2.87Å; L126-S129 PolarHBondContact O-OG 2.95Å; L126-G130 PolarHBondContact O-N 3.33Å; L126-Y148 PolarHBondContact O-OH 3.42Å; L126-L157 HydrophobicContact CD1-CD2 3.8Å
127S84.2Confident81.6Confident4 Ų446.3 Ų46.33%0.02825%0.254CS..Hα-helixtrans-62.1-43.3177.5-59.20000111.6L123 A124 E125 Q131 W193L123-S127 WeakPolarHBondContact O-CB 3.4Å; L123-S127 PolarHBondContact O-N 3.2Å; L123-S127 PolarHBondContact O-OG 2.93Å; A124-S127 PolarHBondContact O-N 3.48Å; E125-S127 VanDerWaalsContact C-N 3.33Å; E125-S127 PolarHBondContact O-N 2.96Å; S127-Q131 PolarHBondContact O-N 3.26Å; S127-W193 WeakPolarHBondContact OG-CZ2 3.41Å; S127-W193 PolarHBondContact OG-NE1 2.86Å
128K82.9Confident80.7Confident112 Ų11245.3 Ų45.349%0.48726%0.263SS..Hα-helixtrans-65.9-44.1177.7-72.9168.8-173.91690112.4A124 E125 L126 G130 Q131 T186A124-K128 VanDerWaalsContact O-CG 3.3Å; A124-K128 WeakPolarHBondContact O-CG 3.47Å; A124-K128 PolarHBondContact O-N 3.32Å; E125-K128 PolarHBondContact O-N 3.45Å; L126-K128 PolarHBondContact O-N 2.91Å; K128-G130 VanDerWaalsContact C-N 3.34Å; K128-G130 PolarHBondContact O-N 3.44Å; K128-Q131 PolarHBondContact O-N 3.45Å; K128-T186 PolarHBondContact NZ-O 3.21Å
129S80.4Confident79.7Confident46 Ų4645.6 Ų45.632%0.32227%0.268SS..Hα-helixtrans-67-35.6179.463.80000112.2E125 L126 Q131 S132E125-S129 WeakPolarHBondContact O-CB 3.25Å; E125-S129 PolarHBondContact O-N 3.27Å; E125-S129 PolarHBondContact O-OG 3.01Å; E125-S129 VanDerWaalsContact O-OG 3.12Å; L126-S129 WeakPolarHBondContact CA-OG 3.46Å; L126-S129 PolarHBondContact O-N 2.87Å; L126-S129 PolarHBondContact O-OG 2.95Å; S129-Q131 VanDerWaalsContact C-N 3.27Å; S129-Q131 PolarHBondContact O-N 3.42Å; S129-S132 PolarHBondContact O-N 2.95Å; S129-S132 PolarHBondContact O-OG 2.64Å
130G75Confident78.8Confident2 Ų248 Ų482%0.02128%0.284CS..Hα-helixtrans-59.6-33.2173.300000113.8L126 K128 R133 I136 Y148L126-G130 PolarHBondContact O-N 3.33Å; K128-G130 VanDerWaalsContact C-N 3.34Å; K128-G130 PolarHBondContact O-N 3.44Å; G130-R133 WeakPolarHBondContact O-CB 3.26Å; G130-R133 PolarHBondContact O-N 3.32Å; G130-I136 WeakPolarHBondContact O-CB 3.31Å; G130-I136 WeakPolarHBondContact O-CG2 3.29Å; G130-Y148 WeakPolarHBondContact CA-OH 3.29Å
131Q70.9Confident77.9Confident87 Ų8750 Ų5041%0.40730%0.298SS..Hα-helixtrans-74.7-29.2-178.3-70.6-150.1-35.500115.2S127 K128 S129 R133 F190S127-Q131 PolarHBondContact O-N 3.26Å; K128-Q131 PolarHBondContact O-N 3.45Å; S129-Q131 VanDerWaalsContact C-N 3.27Å; S129-Q131 PolarHBondContact O-N 3.42Å; Q131-R133 PolarHBondContact O-N 2.91Å; Q131-F190 HydrophobicContact CG-CD1 4.45Å
132S72.9Confident77Confident100 Ų10054.2 Ų54.270%0.69932%0.317SS*.THydrogen-bonded Turntrans-63.8-7.3175.364.20000113.6S129S129-S132 PolarHBondContact O-N 2.95Å; S129-S132 PolarHBondContact O-OG 2.64Å
133R76Confident76.4Confident37 Ų3758.7 Ų58.714%0.1434%0.338CS..SBendtrans-104.2118.8-174.8-74178.2-174.9-120.918.4110.6A72 R76 E79 G130 Q131 G135 I136 S137A72-R133 PolarHBondContact O-NH2 2.95Å; R76-R133 VanDerWaalsContact CG-NH1 3.31Å; E79-R133 WeakPolarHBondContact OE1-CB 3.49Å; E79-R133 WeakPolarHBondContact OE1-CG 3.5Å; E79-R133 IonicContact OE2-CZ 2.89Å; E79-R133 IonicContact OE2-NH1 2.74Å; E79-R133 PolarHBondContact OE2-NH1 3.42Å; G130-R133 WeakPolarHBondContact O-CB 3.26Å; G130-R133 PolarHBondContact O-N 3.32Å; Q131-R133 PolarHBondContact O-N 2.91Å; R133-G135 VanDerWaalsContact C-N 3.3Å; R133-G135 PolarHBondContact O-N 3.35Å; R133-I136 HydrophobicContact CB-CB 4.25Å; R133-I136 HydrophobicContact CB-CD1 3.89Å; R133-I136 HydrophobicContact CB-CG1 4.22Å; R133-I136 HydrophobicContact CG-CD1 4.47Å; R133-I136 PolarHBondContact O-N 3.03Å; R133-S137 PolarHBondContact O-N 3.06Å
134I67.2Low75.9Confident145 Ų14560.1 Ų60.174%0.74435%0.345SS*.Hα-helixtrans-56.5-44.7-172.2-60.1171.7000111I136 S137I134-I136 PolarHBondContact O-N 3.49Å; I134-S137 PolarHBondContact O-N 2.89Å; I134-S137 PolarHBondContact O-OG 3.44Å
135G66Low75.7Confident48 Ų4860.5 Ų60.550%0.49535%0.348SS..Hα-helixtrans-69.4-13-177.700000115.3R133R133-G135 VanDerWaalsContact C-N 3.3Å; R133-G135 PolarHBondContact O-N 3.35Å
136I70.6Confident75.5Confident5 Ų564.3 Ų64.33%0.02636%0.357CS..Hα-helixtrans-107.2-33.6-179.2-59.8173.2000110.2L75 G130 R133 I134 S138 A139 L144L75-I136 HydrophobicContact CB-CD1 3.98Å; L75-I136 HydrophobicContact CD1-CD1 3.79Å; L75-I136 HydrophobicContact CD2-CD1 3.58Å; L75-I136 HydrophobicContact CG-CD1 3.96Å; G130-I136 WeakPolarHBondContact O-CB 3.31Å; G130-I136 WeakPolarHBondContact O-CG2 3.29Å; R133-I136 HydrophobicContact CB-CB 4.25Å; R133-I136 HydrophobicContact CB-CD1 3.89Å; R133-I136 HydrophobicContact CB-CG1 4.22Å; R133-I136 HydrophobicContact CG-CD1 4.47Å; R133-I136 PolarHBondContact O-N 3.03Å; I134-I136 PolarHBondContact O-N 3.49Å; I136-S138 PolarHBondContact O-N 2.79Å; I136-S138 VanDerWaalsContact O-N 3.16Å; I136-A139 WeakPolarHBondContact O-CB 3.19Å; I136-A139 PolarHBondContact O-N 3.08Å; I136-L144 HydrophobicContact CG2-CD2 3.34Å
137S69.9Low75.5Confident71 Ų7165.5 Ų65.550%0.49736%0.364SS..Hα-helixtrans-58-29-179.472.30000113.9R133 I134R133-S137 PolarHBondContact O-N 3.06Å; I134-S137 PolarHBondContact O-N 2.89Å; I134-S137 PolarHBondContact O-OG 3.44Å
138S70.5Confident75.6Confident102 Ų10265.5 Ų65.571%0.71336%0.363SS*.THydrogen-bonded Turntrans-92.4-5.617957.70000114.1I136I136-S138 PolarHBondContact O-N 2.79Å; I136-S138 VanDerWaalsContact O-N 3.16Å
139A72.3Confident75.8Confident19 Ų1962.2 Ų62.216%0.15735%0.352CS..  trans-74.4139.7-176.500000111.2I136 E143 L144 I147I136-A139 WeakPolarHBondContact O-CB 3.19Å; I136-A139 PolarHBondContact O-N 3.08Å; A139-E143 HydrophobicContact CB-CB 4.05Å; A139-L144 HydrophobicContact CB-CD2 3.78Å; A139-L144 HydrophobicContact CB-CG 3.93Å; A139-I147 HydrophobicContact CB-CD1 4.49Å
140S75.2Confident76.2Confident49 Ų4964.4 Ų64.434%0.34336%0.364SS..  trans-64.3156.1172.964.20000111.2M142 E143 L144S140-M142 PolarHBondContact O-N 3.22Å; S140-E143 WeakPolarHBondContact CB-OE2 3.13Å; S140-E143 PolarHBondContact N-OE2 3.16Å; S140-E143 PolarHBondContact O-N 3.13Å; S140-E143 VanDerWaalsContact OG-CD 3.3Å; S140-E143 VanDerWaalsContact OG-CG 3.31Å; S140-E143 WeakPolarHBondContact OG-CG 3.48Å; S140-E143 PolarHBondContact OG-N 3.39Å; S140-E143 PolarHBondContact OG-OE2 3.5Å; S140-L144 WeakPolarHBondContact O-CG 3.47Å; S140-L144 PolarHBondContact O-N 3.29Å
141P70.1Confident76.8Confident46 Ų4664.4 Ų64.430%0.29936%0.363SS..Hα-helixtrans-53.1-31.7175.2-28.635.4000113.8T145 D192P141-T145 WeakPolarHBondContact O-CB 3.2Å; P141-T145 PolarHBondContact O-N 2.94Å; P141-T145 PolarHBondContact O-OG1 3.2Å; P141-D192 HydrophobicContact CB-CB 3.88Å; P141-D192 HydrophobicContact CG-CB 3.86Å
142M71Confident77.7Confident144 Ų14462.2 Ų62.271%0.70936%0.358SS*.Hα-helixtrans-69.2-45.1176.4-174.6175.7-179.300112S140 T145 R146S140-M142 PolarHBondContact O-N 3.22Å; M142-T145 PolarHBondContact O-N 3.26Å; M142-R146 WeakPolarHBondContact O-CB 3.48Å; M142-R146 PolarHBondContact O-N 3.48Å
143E79.3Confident78.6Confident103 Ų10357.5 Ų57.548%0.48133%0.325SS..Hα-helixtrans-64.7-42.3175.1-71.9163.2145.100110.8A139 S140 T145 R146 I147A139-E143 HydrophobicContact CB-CB 4.05Å; S140-E143 WeakPolarHBondContact CB-OE2 3.13Å; S140-E143 PolarHBondContact N-OE2 3.16Å; S140-E143 PolarHBondContact O-N 3.13Å; S140-E143 VanDerWaalsContact OG-CD 3.3Å; S140-E143 VanDerWaalsContact OG-CG 3.31Å; S140-E143 WeakPolarHBondContact OG-CG 3.48Å; S140-E143 PolarHBondContact OG-N 3.39Å; S140-E143 PolarHBondContact OG-OE2 3.5Å; E143-T145 PolarHBondContact O-N 3.47Å; E143-R146 CarbonylContact O-C 3.51Å; E143-R146 WeakPolarHBondContact O-CB 3.25Å; E143-R146 PolarHBondContact O-N 3.39Å; E143-I147 WeakPolarHBondContact O-CB 3.22Å; E143-I147 WeakPolarHBondContact O-CD1 3.26Å; E143-I147 WeakPolarHBondContact O-CG1 3.39Å; E143-I147 PolarHBondContact O-N 2.96Å
144L80.2Confident79.3Confident29 Ų2955.7 Ų55.715%0.15232%0.318CS..Hα-helixtrans-59.8-46.9174.3-69.7178.6000111.8I136 A139 S140 R146 I147 Y148 W193I136-L144 HydrophobicContact CG2-CD2 3.34Å; A139-L144 HydrophobicContact CB-CD2 3.78Å; A139-L144 HydrophobicContact CB-CG 3.93Å; S140-L144 WeakPolarHBondContact O-CG 3.47Å; S140-L144 PolarHBondContact O-N 3.29Å; L144-R146 VanDerWaalsContact C-N 3.26Å; L144-R146 PolarHBondContact O-N 3.45Å; L144-I147 PolarHBondContact O-N 3.04Å; L144-Y148 HydrophobicContact CD2-CE2 4.35Å; L144-Y148 VanDerWaalsContact O-CD2 3.25Å; L144-Y148 WeakPolarHBondContact O-CD2 3.4Å; L144-Y148 PolarHBondContact O-N 2.86Å; L144-W193 HydrophobicContact CB-CB 3.59Å; L144-W193 HydrophobicContact CB-CG 3.98Å
145T80.3Confident80.5Confident10 Ų1053.3 Ų53.36%0.06130%0.302CS..Hα-helixtrans-58.2-44.4177-52.20000110P141 M142 E143 T149 W193 K196P141-T145 WeakPolarHBondContact O-CB 3.2Å; P141-T145 PolarHBondContact O-N 2.94Å; P141-T145 PolarHBondContact O-OG1 3.2Å; M142-T145 PolarHBondContact O-N 3.26Å; E143-T145 PolarHBondContact O-N 3.47Å; T145-T149 HydrophobicContact CG2-CG2 4.37Å; T145-T149 VanDerWaalsContact O-CB 3.31Å; T145-T149 WeakPolarHBondContact O-CB 3.35Å; T145-T149 WeakPolarHBondContact O-CG2 3.34Å; T145-T149 PolarHBondContact O-N 3.03Å; T145-T149 PolarHBondContact O-OG1 3.13Å; T145-W193 VanDerWaalsContact OG1-CA 3.3Å; T145-W193 WeakPolarHBondContact OG1-CA 3.39Å; T145-W193 WeakPolarHBondContact OG1-CB 3.28Å; T145-W193 PolarHBondContact OG1-O 2.95Å; T145-W193 VanDerWaalsContact OG1-O 3.06Å; T145-K196 HydrophobicContact CG2-CG 4.36Å
146R84.2Confident81.7Confident189 Ų18952 Ų5271%0.71328%0.282SS*.Hα-helixtrans-65-42.5177.1-176-179136.1128-0.5112.2M142 E143 L144 T149 T150M142-R146 WeakPolarHBondContact O-CB 3.48Å; M142-R146 PolarHBondContact O-N 3.48Å; E143-R146 CarbonylContact O-C 3.51Å; E143-R146 WeakPolarHBondContact O-CB 3.25Å; E143-R146 PolarHBondContact O-N 3.39Å; L144-R146 VanDerWaalsContact C-N 3.26Å; L144-R146 PolarHBondContact O-N 3.45Å; R146-T149 WeakPolarHBondContact CA-OG1 3.47Å; R146-T149 PolarHBondContact O-OG1 2.85Å; R146-T149 VanDerWaalsContact O-OG1 3.14Å; R146-T150 WeakPolarHBondContact O-CB 3.37Å; R146-T150 PolarHBondContact O-N 3.17Å; R146-T150 PolarHBondContact O-OG1 3.42Å
147I85.6Confident82.8Confident28 Ų2851.7 Ų51.714%0.14428%0.281CS..Hα-helixtrans-61.3-53.5178.2-71.9162.4000109.7F74 L75 V78 A139 E143 L144 T149 T150 C151F74-I147 HydrophobicContact CE1-CG2 3.9Å; F74-I147 VanDerWaalsContact CE1-O 3.27Å; F74-I147 WeakPolarHBondContact CE1-O 3.43Å; L75-I147 HydrophobicContact CD2-CG2 3.9Å; V78-I147 HydrophobicContact CG2-CG2 4.39Å; A139-I147 HydrophobicContact CB-CD1 4.49Å; E143-I147 WeakPolarHBondContact O-CB 3.22Å; E143-I147 WeakPolarHBondContact O-CD1 3.26Å; E143-I147 WeakPolarHBondContact O-CG1 3.39Å; E143-I147 PolarHBondContact O-N 2.96Å; L144-I147 PolarHBondContact O-N 3.04Å; I147-T149 VanDerWaalsContact C-N 3.34Å; I147-T149 PolarHBondContact O-N 3.3Å; I147-T150 WeakPolarHBondContact O-CB 2.97Å; I147-T150 PolarHBondContact O-N 3.4Å; I147-T150 VanDerWaalsContact O-N 3.12Å; I147-C151 PolarHBondContact O-N 3.44Å
148Y86.9Confident83.8Confident3 Ų348.3 Ų48.31%0.01226%0.257CS..Hα-helixtrans-71.1-26.5-177.7-75.6-69.8000113.7V71 L75 L126 G130 L144 T150 S154 K155 W193V71-Y148 HydrophobicContact CG1-CD1 4.42Å; V71-Y148 HydrophobicContact CG1-CE1 4.04Å; L75-Y148 HydrophobicContact CD1-CE1 4.29Å; L75-Y148 HydrophobicContact CD2-CE1 4.33Å; L126-Y148 PolarHBondContact O-OH 3.42Å; G130-Y148 WeakPolarHBondContact CA-OH 3.29Å; L144-Y148 HydrophobicContact CD2-CE2 4.35Å; L144-Y148 VanDerWaalsContact O-CD2 3.25Å; L144-Y148 WeakPolarHBondContact O-CD2 3.4Å; L144-Y148 PolarHBondContact O-N 2.86Å; Y148-T150 VanDerWaalsContact C-N 3.32Å; Y148-S154 WeakPolarHBondContact O-CB 3.31Å; Y148-S154 PolarHBondContact O-OG 3.13Å; Y148-K155 PolarHBondContact O-N 2.96Å; Y148-W193 HydrophobicContact CD1-CH2 4.1Å; Y148-W193 HydrophobicContact CD1-CZ2 4.44Å; Y148-W193 HydrophobicContact CD1-CZ3 4.44Å; Y148-W193 AromaticContact CD2-CD2 3.65Å; Y148-W193 HydrophobicContact CD2-CD2 3.65Å; Y148-W193 AromaticContact CD2-CE2 3.7Å; Y148-W193 AromaticContact CD2-CE3 3.71Å; Y148-W193 HydrophobicContact CD2-CE3 3.71Å; Y148-W193 HydrophobicContact CD2-CG 4.32Å; Y148-W193 AromaticContact CD2-CH2 3.89Å; Y148-W193 HydrophobicContact CD2-CH2 3.89Å; Y148-W193 AromaticContact CD2-CZ2 3.84Å; Y148-W193 HydrophobicContact CD2-CZ2 3.84Å; Y148-W193 AromaticContact CD2-CZ3 3.81Å; Y148-W193 HydrophobicContact CD2-CZ3 3.81Å; Y148-W193 HydrophobicContact CE2-CD2 4.2Å; Y148-W193 AromaticContact CE2-CE2 3.85Å; Y148-W193 HydrophobicContact CE2-CH2 4.47Å; Y148-W193 HydrophobicContact CE2-CZ2 4.02Å; Y148-W193 HydrophobicContact CG-CD2 4.34Å; Y148-W193 AromaticContact CG-CE3 3.98Å; Y148-W193 HydrophobicContact CG-CE3 3.98Å; Y148-W193 AromaticContact CG-CH2 3.68Å; Y148-W193 HydrophobicContact CG-CH2 3.68Å; Y148-W193 HydrophobicContact CG-CZ2 4.07Å; Y148-W193 AromaticContact CG-CZ3 3.62Å; Y148-W193 HydrophobicContact CG-CZ3 3.62Å
149T87.1Confident84.7Confident43 Ų4345.6 Ų45.626%0.26424%0.235SC..Hα-helixtrans-78.9-16.8171.752.70000113.1T145 R146 I147 K155 L158 Y197T145-T149 HydrophobicContact CG2-CG2 4.37Å; T145-T149 VanDerWaalsContact O-CB 3.31Å; T145-T149 WeakPolarHBondContact O-CB 3.35Å; T145-T149 WeakPolarHBondContact O-CG2 3.34Å; T145-T149 PolarHBondContact O-N 3.03Å; T145-T149 PolarHBondContact O-OG1 3.13Å; R146-T149 WeakPolarHBondContact CA-OG1 3.47Å; R146-T149 PolarHBondContact O-OG1 2.85Å; R146-T149 VanDerWaalsContact O-OG1 3.14Å; I147-T149 VanDerWaalsContact C-N 3.34Å; I147-T149 PolarHBondContact O-N 3.3Å; T149-K155 WeakPolarHBondContact O-CD 3.48Å; T149-L158 HydrophobicContact CG2-CD1 3.79Å; T149-Y197 HydrophobicContact CG2-CD2 3.97Å; T149-Y197 HydrophobicContact CG2-CE2 4.4Å
150T88.3Confident85.7Confident92 Ų9244.7 Ų44.756%0.56423%0.227SC*.Hα-helixtrans-75.3-33.3174.4-58.10000111.6F74 R146 I147 Y148F74-T150 HydrophobicContact CE2-CG2 3.97Å; F74-T150 HydrophobicContact CZ-CG2 3.8Å; R146-T150 WeakPolarHBondContact O-CB 3.37Å; R146-T150 PolarHBondContact O-N 3.17Å; R146-T150 PolarHBondContact O-OG1 3.42Å; I147-T150 WeakPolarHBondContact O-CB 2.97Å; I147-T150 PolarHBondContact O-N 3.4Å; I147-T150 VanDerWaalsContact O-N 3.12Å; Y148-T150 VanDerWaalsContact C-N 3.32Å
151C89.3Confident86.4Confident2 Ų242.3 Ų42.31%0.01421%0.211CC..SBendtrans-78.6121.6171.2174.60000110.2F74 I147 S153 S154 K155F74-C151 HydrophobicContact CB-CB 4.16Å; F74-C151 HydrophobicContact CD1-CB 3.48Å; F74-C151 VanDerWaalsContact CD1-CB 3.48Å; F74-C151 HydrophobicContact CD2-CB 3.97Å; F74-C151 HydrophobicContact CE1-CB 3.77Å; F74-C151 HydrophobicContact CE2-CB 4.24Å; F74-C151 HydrophobicContact CG-CB 3.59Å; F74-C151 HydrophobicContact CZ-CB 4.15Å; I147-C151 PolarHBondContact O-N 3.44Å; C151-S153 VanDerWaalsContact C-N 3.31Å; C151-S153 PolarHBondContact O-N 3.46Å; C151-S154 VanDerWaalsContact CB-OG 3.25Å; C151-S154 WeakPolarHBondContact CB-OG 3.27Å; C151-S154 PolarHBondContact O-N 3.08Å; C151-S154 PolarHBondContact O-OG 2.6Å; C151-K155 VanDerWaalsContact O-CB 3.24Å; C151-K155 WeakPolarHBondContact O-CB 3.33Å; C151-K155 PolarHBondContact O-N 3.15Å
152S89.5Confident87.1Confident42 Ų4240.4 Ų40.429%0.29420%0.199SC..Hα-helixtrans-57.7-41.2-178550000112.4E91 K155 R156E91-S152 WeakPolarHBondContact CG-OG 3.47Å; E91-S152 PolarHBondContact OE1-OG 3.27Å; E91-S152 PolarHBondContact OE2-OG 3.04Å; S152-K155 PolarHBondContact O-N 3Å; S152-R156 WeakPolarHBondContact O-CB 3.33Å; S152-R156 PolarHBondContact O-N 3.18Å
153S91.5Very high88Confident0 Ų034.3 Ų34.30%017%0.169CC..Hα-helixtrans-67.8-46-179.4-570000113.2N70 C151 R156 L157N70-S153 PolarHBondContact ND2-OG 3.17Å; C151-S153 VanDerWaalsContact C-N 3.31Å; C151-S153 PolarHBondContact O-N 3.46Å; S153-R156 PolarHBondContact O-N 3.48Å; S153-L157 PolarHBondContact O-N 3.31Å; S153-L157 VanDerWaalsContact O-N 3.11Å
154S91Very high88.3Confident0 Ų029.4 Ų29.40%015%0.146CC..Hα-helixtrans-70.7-35.7175.745.30000112.1Y148 C151 R156 L157 L158Y148-S154 WeakPolarHBondContact O-CB 3.31Å; Y148-S154 PolarHBondContact O-OG 3.13Å; C151-S154 VanDerWaalsContact CB-OG 3.25Å; C151-S154 WeakPolarHBondContact CB-OG 3.27Å; C151-S154 PolarHBondContact O-N 3.08Å; C151-S154 PolarHBondContact O-OG 2.6Å; S154-R156 VanDerWaalsContact C-N 3.31Å; S154-R156 PolarHBondContact O-N 2.8Å; S154-L157 PolarHBondContact O-N 2.99Å; S154-L158 PolarHBondContact O-N 3.26Å
155K91.4Very high88.4Confident94 Ų9428.3 Ų28.341%0.40914%0.14SC..Hα-helixtrans-59.2-44.2170.9-176.1-177.8171.4-179.50110.9Y148 T149 C151 S152 L157 L158 D159Y148-K155 PolarHBondContact O-N 2.96Å; T149-K155 WeakPolarHBondContact O-CD 3.48Å; C151-K155 VanDerWaalsContact O-CB 3.24Å; C151-K155 WeakPolarHBondContact O-CB 3.33Å; C151-K155 PolarHBondContact O-N 3.15Å; S152-K155 PolarHBondContact O-N 3Å; K155-L157 VanDerWaalsContact C-N 3.29Å; K155-L157 PolarHBondContact O-N 3.3Å; K155-L158 CarbonylContact O-C 3.3Å; K155-L158 WeakPolarHBondContact O-CA 3.4Å; K155-L158 WeakPolarHBondContact O-CB 3.44Å; K155-L158 PolarHBondContact O-N 3.15Å; K155-L158 VanDerWaalsContact O-N 3.12Å; K155-D159 PolarHBondContact O-N 3.22Å
156R92.7Very high88.4Confident20 Ų2029.3 Ų29.38%0.07515%0.147CC..Hα-helixtrans-64.8-35.7179.4-171.350.3171147.66.8112.3V94 C98 S99 E102 S152 S153 S154 D159 L160V94-R156 HydrophobicContact CG1-CB 4.48Å; V94-R156 HydrophobicContact CG1-CG 4.45Å; C98-R156 HydrophobicContact CB-CG 3.84Å; S99-R156 PolarHBondContact OG-NH2 2.94Å; E102-R156 IonicContact OE1-CZ 3.48Å; E102-R156 IonicContact OE1-NH1 3.68Å; E102-R156 PolarHBondContact OE1-NH1 3.28Å; E102-R156 IonicContact OE1-NH2 3.75Å; E102-R156 PolarHBondContact OE1-NH2 3.03Å; E102-R156 IonicContact OE2-NH2 3.2Å; S152-R156 WeakPolarHBondContact O-CB 3.33Å; S152-R156 PolarHBondContact O-N 3.18Å; S153-R156 PolarHBondContact O-N 3.48Å; S154-R156 VanDerWaalsContact C-N 3.31Å; S154-R156 PolarHBondContact O-N 2.8Å; R156-D159 PolarHBondContact O-N 3.27Å; R156-L160 WeakPolarHBondContact O-CB 3.38Å; R156-L160 PolarHBondContact O-N 3.45Å
157L93.4Very high88.3Confident0 Ų023 Ų230%013%0.126CC..Hα-helixtrans-66.2-39.4172.6-17262.9000112.2I67 W118 V119 N122 L123 L126 S153 S154 K155 L160 L161I67-L157 HydrophobicContact CD1-CD1 4.38Å; I67-L157 HydrophobicContact CG2-CD2 4.4Å; W118-L157 HydrophobicContact CH2-CD1 4.21Å; W118-L157 HydrophobicContact CZ3-CD1 3.82Å; V119-L157 HydrophobicContact CB-CD1 4.43Å; V119-L157 HydrophobicContact CG1-CD1 4.11Å; V119-L157 HydrophobicContact CG2-CD1 4.21Å; N122-L157 HydrophobicContact CB-CD2 3.9Å; L123-L157 HydrophobicContact CD2-CB 4.41Å; L123-L157 HydrophobicContact CD2-CD2 3.66Å; L123-L157 HydrophobicContact CD2-CG 3.82Å; L123-L157 HydrophobicContact CG-CD2 3.75Å; L123-L157 HydrophobicContact CG-CG 3.86Å; L126-L157 HydrophobicContact CD1-CD2 3.8Å; S153-L157 PolarHBondContact O-N 3.31Å; S153-L157 VanDerWaalsContact O-N 3.11Å; S154-L157 PolarHBondContact O-N 2.99Å; K155-L157 VanDerWaalsContact C-N 3.29Å; K155-L157 PolarHBondContact O-N 3.3Å; L157-L160 PolarHBondContact O-N 3.02Å; L157-L161 PolarHBondContact O-N 3.01Å
158L89.9Confident87.9Confident0 Ų022 Ų220%012%0.121CC..Hα-helixtrans-63.4-42.3171.1-77174.7000112.3L123 T149 S154 K155 L160 L161 G162 W193 I194 Y197L123-L158 HydrophobicContact CD2-CD2 4.12Å; L123-L158 HydrophobicContact CD2-CG 4.46Å; T149-L158 HydrophobicContact CG2-CD1 3.79Å; S154-L158 PolarHBondContact O-N 3.26Å; K155-L158 CarbonylContact O-C 3.3Å; K155-L158 WeakPolarHBondContact O-CA 3.4Å; K155-L158 WeakPolarHBondContact O-CB 3.44Å; K155-L158 PolarHBondContact O-N 3.15Å; K155-L158 VanDerWaalsContact O-N 3.12Å; L158-L160 VanDerWaalsContact C-N 3.26Å; L158-L160 PolarHBondContact O-N 3.04Å; L158-L161 CarbonylContact O-C 3.6Å; L158-L161 WeakPolarHBondContact O-CB 3.47Å; L158-L161 PolarHBondContact O-N 3.2Å; L158-G162 PolarHBondContact O-N 3.39Å; L158-W193 HydrophobicContact CD1-CE3 4.39Å; L158-W193 HydrophobicContact CD1-CZ3 3.67Å; L158-W193 HydrophobicContact CD2-CE3 4.49Å; L158-W193 HydrophobicContact CD2-CH2 4.23Å; L158-W193 HydrophobicContact CD2-CZ3 3.74Å; L158-W193 HydrophobicContact CG-CH2 4.47Å; L158-W193 HydrophobicContact CG-CZ3 3.92Å; L158-I194 HydrophobicContact CD2-CB 4.44Å; L158-I194 HydrophobicContact CD2-CG1 4.38Å; L158-I194 HydrophobicContact CD2-CG2 3.9Å; L158-Y197 HydrophobicContact CB-CD1 4.07Å; L158-Y197 HydrophobicContact CB-CD2 4.34Å; L158-Y197 HydrophobicContact CB-CE1 3.85Å; L158-Y197 HydrophobicContact CB-CE2 4.08Å; L158-Y197 HydrophobicContact CB-CG 4.32Å; L158-Y197 HydrophobicContact CD1-CD1 4.45Å; L158-Y197 HydrophobicContact CD1-CD2 3.8Å; L158-Y197 HydrophobicContact CD1-CE2 4.21Å; L158-Y197 HydrophobicContact CD1-CG 3.93Å; L158-Y197 HydrophobicContact CD2-CD1 4Å; L158-Y197 HydrophobicContact CD2-CG 4.12Å; L158-Y197 HydrophobicContact CG-CD1 4.42Å; L158-Y197 HydrophobicContact CG-CG 4.37Å; L158-Y197 WeakPolarHBondContact O-CE1 3.39Å
159D90.5Very high87.2Confident44 Ų4423.7 Ų23.724%0.23513%0.131CC..Hα-helixtrans-63.6-36.6176.6-63.9-23.5000110.4K155 R156 G162 F163 Y197K155-D159 PolarHBondContact O-N 3.22Å; R156-D159 PolarHBondContact O-N 3.27Å; D159-G162 CarbonylContact O-C 3.59Å; D159-G162 WeakPolarHBondContact O-CA 3.5Å; D159-G162 PolarHBondContact O-N 2.91Å; D159-F163 PolarHBondContact O-N 3.47Å; D159-Y197 WeakPolarHBondContact CA-OH 3.49Å; D159-Y197 PolarHBondContact OD1-OH 2.69Å
160L92.6Very high86.4Confident0 Ų029.1 Ų29.10%015%0.153CC..Hα-helixtrans-69-37.3174.8-166.862.4000111.9C98 F101 E102 L115 W118 V119 R156 L157 L158 G162 F163 C164C98-L160 HydrophobicContact CB-CD2 4.4Å; F101-L160 HydrophobicContact CD2-CD2 4.46Å; E102-L160 HydrophobicContact CG-CD1 3.58Å; L115-L160 HydrophobicContact CD1-CD2 4.17Å; L115-L160 HydrophobicContact CD2-CD1 4.21Å; W118-L160 HydrophobicContact CZ3-CD2 4.01Å; V119-L160 HydrophobicContact CG2-CB 4.42Å; V119-L160 HydrophobicContact CG2-CD2 3.72Å; V119-L160 HydrophobicContact CG2-CG 3.87Å; R156-L160 WeakPolarHBondContact O-CB 3.38Å; R156-L160 PolarHBondContact O-N 3.45Å; L157-L160 PolarHBondContact O-N 3.02Å; L158-L160 VanDerWaalsContact C-N 3.26Å; L158-L160 PolarHBondContact O-N 3.04Å; L160-G162 VanDerWaalsContact C-N 3.32Å; L160-F163 HydrophobicContact CD1-CD1 4.32Å; L160-F163 WeakPolarHBondContact O-CB 3.34Å; L160-F163 PolarHBondContact O-N 3.46Å; L160-C164 PolarHBondContact O-N 2.65Å; L160-C164 PolarHBondContact O-SG 3.5Å
161L90Very high85.5Confident0 Ų029.1 Ų29.10%016%0.157CC..Hα-helixtrans-60.4-44.7167.3177.366.7000110.5V119 L123 L157 L158 F163 C164 V165 L179 L183 I194 L198V119-L161 HydrophobicContact CG1-CB 3.69Å; V119-L161 HydrophobicContact CG1-CD1 4.13Å; V119-L161 HydrophobicContact CG1-CG 4.49Å; L123-L161 HydrophobicContact CD1-CB 3.93Å; L123-L161 HydrophobicContact CD1-CD2 3.6Å; L123-L161 HydrophobicContact CD1-CG 4.22Å; L157-L161 PolarHBondContact O-N 3.01Å; L158-L161 CarbonylContact O-C 3.6Å; L158-L161 WeakPolarHBondContact O-CB 3.47Å; L158-L161 PolarHBondContact O-N 3.2Å; L161-F163 VanDerWaalsContact C-N 3.3Å; L161-F163 PolarHBondContact O-N 2.96Å; L161-C164 WeakPolarHBondContact O-CB 3.34Å; L161-C164 PolarHBondContact O-N 3.05Å; L161-C164 VanDerWaalsContact O-N 3.09Å; L161-V165 HydrophobicContact CD1-CG2 4.31Å; L161-V165 HydrophobicContact CG-CG2 4.39Å; L161-V165 WeakPolarHBondContact O-CG2 3.37Å; L161-V165 PolarHBondContact O-N 2.8Å; L161-L179 HydrophobicContact CD1-CD2 4.4Å; L161-L183 HydrophobicContact CD2-CD2 3.92Å; L161-I194 HydrophobicContact CD2-CG2 3.44Å; L161-I194 VanDerWaalsContact CD2-CG2 3.44Å; L161-L198 HydrophobicContact CD2-CD1 4.12Å; L161-L198 HydrophobicContact CD2-CD2 4.15Å; L161-L198 HydrophobicContact CD2-CG 4.31Å; L161-L198 HydrophobicContact CG-CD2 4.31Å
162G85.2Confident84.7Confident5 Ų531.5 Ų31.55%0.05217%0.169CC..Hα-helixtrans-57.5-42.3175.200000112.2L158 D159 L160 V165 S166 F202L158-G162 PolarHBondContact O-N 3.39Å; D159-G162 CarbonylContact O-C 3.59Å; D159-G162 WeakPolarHBondContact O-CA 3.5Å; D159-G162 PolarHBondContact O-N 2.91Å; L160-G162 VanDerWaalsContact C-N 3.32Å; G162-V165 PolarHBondContact O-N 2.96Å; G162-S166 WeakPolarHBondContact O-CB 3.21Å; G162-S166 PolarHBondContact O-N 2.9Å; G162-S166 PolarHBondContact O-OG 3.43Å; G162-F202 VanDerWaalsContact O-CZ 3.31Å; G162-F202 WeakPolarHBondContact O-CZ 3.23Å
163F88.1Confident83.6Confident17 Ų1732.9 Ų32.98%0.07517%0.173CC..Hα-helixtrans-62.7-42.9172.3172.8-97.9000112.4E102 V105 R106 D159 L160 L161 V165 S166 Q167E102-F163 HydrophobicContact CB-CD1 4.31Å; E102-F163 HydrophobicContact CB-CD2 4.44Å; E102-F163 HydrophobicContact CB-CE1 4.01Å; E102-F163 HydrophobicContact CB-CE2 4.16Å; E102-F163 HydrophobicContact CB-CZ 3.92Å; E102-F163 HydrophobicContact CG-CB 4.45Å; E102-F163 HydrophobicContact CG-CD1 3.8Å; E102-F163 HydrophobicContact CG-CD2 4.15Å; E102-F163 HydrophobicContact CG-CE1 4.02Å; E102-F163 HydrophobicContact CG-CE2 4.36Å; E102-F163 HydrophobicContact CG-CG 3.86Å; E102-F163 HydrophobicContact CG-CZ 4.28Å; V105-F163 HydrophobicContact CB-CE1 3.97Å; V105-F163 HydrophobicContact CB-CZ 4.23Å; V105-F163 HydrophobicContact CG1-CE1 3.92Å; V105-F163 HydrophobicContact CG1-CZ 4.16Å; V105-F163 HydrophobicContact CG2-CE1 4.37Å; R106-F163 HydrophobicContact CG-CE2 4.43Å; R106-F163 HydrophobicContact CG-CZ 4.19Å; D159-F163 PolarHBondContact O-N 3.47Å; L160-F163 HydrophobicContact CD1-CD1 4.32Å; L160-F163 WeakPolarHBondContact O-CB 3.34Å; L160-F163 PolarHBondContact O-N 3.46Å; L161-F163 VanDerWaalsContact C-N 3.3Å; L161-F163 PolarHBondContact O-N 2.96Å; F163-V165 VanDerWaalsContact C-N 3.32Å; F163-V165 PolarHBondContact O-N 3.27Å; F163-S166 WeakPolarHBondContact CA-OG 3.13Å; F163-S166 PolarHBondContact O-N 2.87Å; F163-S166 PolarHBondContact O-OG 2.91Å; F163-Q167 HydrophobicContact CD1-CG 4.41Å; F163-Q167 HydrophobicContact CD2-CG 4.01Å; F163-Q167 HydrophobicContact CE1-CG 4.01Å; F163-Q167 HydrophobicContact CE2-CG 3.55Å; F163-Q167 HydrophobicContact CG-CG 4.43Å; F163-Q167 HydrophobicContact CZ-CG 3.56Å; F163-Q167 WeakPolarHBondContact O-CB 3.25Å; F163-Q167 WeakPolarHBondContact O-CG 3.21Å; F163-Q167 PolarHBondContact O-N 3.48Å
164C87.2Confident82.5Confident0 Ų039.3 Ų39.30%020%0.203CC..Hα-helixtrans-60.5-45175.7-63.50000111.1M112 L160 L161 T168 L179M112-C164 HydrophobicContact CE-CB 3.43Å; M112-C164 VanDerWaalsContact CE-CB 3.43Å; M112-C164 WeakPolarHBondContact CE-SG 3.33Å; L160-C164 PolarHBondContact O-N 2.65Å; L160-C164 PolarHBondContact O-SG 3.5Å; L161-C164 WeakPolarHBondContact O-CB 3.34Å; L161-C164 PolarHBondContact O-N 3.05Å; L161-C164 VanDerWaalsContact O-N 3.09Å; C164-T168 WeakPolarHBondContact O-CB 3.41Å; C164-T168 VanDerWaalsContact O-CG2 3.28Å; C164-T168 WeakPolarHBondContact O-CG2 3.47Å; C164-T168 PolarHBondContact O-N 2.81Å; C164-T168 PolarHBondContact O-OG1 3.45Å; C164-L179 HydrophobicContact CB-CD2 3.74Å
165V82.1Confident81.7Confident5 Ų544.8 Ų44.83%0.0323%0.226CC..Hα-helixtrans-64.2-46.9178.3169.20000110.4L161 G162 F163 T168 L169 L179 L180 L198 F202L161-V165 HydrophobicContact CD1-CG2 4.31Å; L161-V165 HydrophobicContact CG-CG2 4.39Å; L161-V165 WeakPolarHBondContact O-CG2 3.37Å; L161-V165 PolarHBondContact O-N 2.8Å; G162-V165 PolarHBondContact O-N 2.96Å; F163-V165 VanDerWaalsContact C-N 3.32Å; F163-V165 PolarHBondContact O-N 3.27Å; V165-T168 PolarHBondContact O-N 3.19Å; V165-T168 PolarHBondContact O-OG1 3.25Å; V165-T168 VanDerWaalsContact O-OG1 3.1Å; V165-L169 WeakPolarHBondContact O-CB 3.42Å; V165-L169 PolarHBondContact O-N 3.42Å; V165-L179 HydrophobicContact CG2-CD2 4.24Å; V165-L180 HydrophobicContact CG2-CD2 4.2Å; V165-L198 HydrophobicContact CG2-CD2 4.14Å; V165-F202 HydrophobicContact CB-CE2 4.14Å; V165-F202 HydrophobicContact CB-CZ 4.36Å; V165-F202 HydrophobicContact CG1-CD2 3.97Å; V165-F202 HydrophobicContact CG1-CE2 3.84Å; V165-F202 HydrophobicContact CG1-CG 4.39Å; V165-F202 HydrophobicContact CG1-CZ 4.15Å
166S80.8Confident80.8Confident31 Ų3140.6 Ų40.622%0.21721%0.209CC..Hα-helixtrans-64.7-45.2-179.4650000112.8G162 F163 T168 L169 E170G162-S166 WeakPolarHBondContact O-CB 3.21Å; G162-S166 PolarHBondContact O-N 2.9Å; G162-S166 PolarHBondContact O-OG 3.43Å; F163-S166 WeakPolarHBondContact CA-OG 3.13Å; F163-S166 PolarHBondContact O-N 2.87Å; F163-S166 PolarHBondContact O-OG 2.91Å; S166-T168 PolarHBondContact O-N 2.84Å; S166-L169 PolarHBondContact O-N 3.34Å; S166-E170 WeakPolarHBondContact O-CG 3.39Å; S166-E170 PolarHBondContact O-N 2.9Å
167Q80.9Confident79.6Confident57 Ų5739.8 Ų39.827%0.26621%0.206SC..Hα-helixtrans-64.8-38.8177.7-72.4-64.6-56.100112.6M112 F163 S171M112-Q167 HydrophobicContact SD-CB 4.21Å; F163-Q167 HydrophobicContact CD1-CG 4.41Å; F163-Q167 HydrophobicContact CD2-CG 4.01Å; F163-Q167 HydrophobicContact CE1-CG 4.01Å; F163-Q167 HydrophobicContact CE2-CG 3.55Å; F163-Q167 HydrophobicContact CG-CG 4.43Å; F163-Q167 HydrophobicContact CZ-CG 3.56Å; F163-Q167 WeakPolarHBondContact O-CB 3.25Å; F163-Q167 WeakPolarHBondContact O-CG 3.21Å; F163-Q167 PolarHBondContact O-N 3.48Å; Q167-S171 WeakPolarHBondContact O-CB 3.49Å; Q167-S171 PolarHBondContact O-N 3.36Å; Q167-S171 PolarHBondContact O-OG 3.12Å
168T77.5Confident78.8Confident6 Ų642.4 Ų42.44%0.03723%0.225CC..Hα-helixtrans-73.5-35.1176.552.60000111.8M112 C164 V165 S166 E170 S171 D172 K175 C176M112-T168 HydrophobicContact CG-CG2 4.17Å; C164-T168 WeakPolarHBondContact O-CB 3.41Å; C164-T168 VanDerWaalsContact O-CG2 3.28Å; C164-T168 WeakPolarHBondContact O-CG2 3.47Å; C164-T168 PolarHBondContact O-N 2.81Å; C164-T168 PolarHBondContact O-OG1 3.45Å; V165-T168 PolarHBondContact O-N 3.19Å; V165-T168 PolarHBondContact O-OG1 3.25Å; V165-T168 VanDerWaalsContact O-OG1 3.1Å; S166-T168 PolarHBondContact O-N 2.84Å; T168-E170 PolarHBondContact O-N 2.94Å; T168-S171 PolarHBondContact O-N 2.8Å; T168-D172 CarbonylContact O-C 3.58Å; T168-D172 PolarHBondContact O-N 2.96Å; T168-K175 HydrophobicContact CG2-CB 4.37Å; T168-C176 WeakPolarHBondContact OG1-CA 3.5Å; T168-C176 WeakPolarHBondContact OG1-CB 3.42Å
169L71.8Confident78.3Confident40 Ų4042.7 Ų42.721%0.20923%0.226CC..Hα-helixtrans-62-40.7175.2-171.371.7000112.1V165 S166 D205V165-L169 WeakPolarHBondContact O-CB 3.42Å; V165-L169 PolarHBondContact O-N 3.42Å; S166-L169 PolarHBondContact O-N 3.34Å; L169-D205 HydrophobicContact CD2-CB 4.22Å
170E69.9Low77.6Confident156 Ų15641 Ų4173%0.72922%0.217SC*.Hα-helixtrans-71.6-34.4177.4-73.5177.3-177.900113.3S166 T168S166-E170 WeakPolarHBondContact O-CG 3.39Å; S166-E170 PolarHBondContact O-N 2.9Å; T168-E170 PolarHBondContact O-N 2.94Å
171S70.9Confident76.8Confident93 Ų9342 Ų4265%0.6522%0.222SC*.Hα-helixtrans-94.9-48.6-171.557.20000114Q167 T168Q167-S171 WeakPolarHBondContact O-CB 3.49Å; Q167-S171 PolarHBondContact O-N 3.36Å; Q167-S171 PolarHBondContact O-OG 3.12Å; T168-S171 PolarHBondContact O-N 2.8Å
172D71Confident76.2Confident51 Ų5146.3 Ų46.327%0.27325%0.245SC..  trans-157.5101.5-173.4-170.1-15.6000111T168 E174 K175 C176T168-D172 CarbonylContact O-C 3.58Å; T168-D172 PolarHBondContact O-N 2.96Å; D172-E174 PolarHBondContact O-N 3.38Å; D172-E174 PolarHBondContact OD1-N 2.83Å; D172-K175 HydrophobicContact CB-CB 4.27Å; D172-K175 HydrophobicContact CB-CD 4.11Å; D172-K175 HydrophobicContact CB-CG 3.99Å; D172-K175 WeakPolarHBondContact O-CB 3.31Å; D172-K175 PolarHBondContact O-N 3.3Å; D172-K175 IonicContact OD2-NZ 2.6Å; D172-K175 PolarHBondContact OD2-NZ 3.34Å; D172-C176 PolarHBondContact O-N 3.11Å
173I66Low75.8Confident72 Ų7246.1 Ų46.137%0.36924%0.243SC..Hα-helixtrans-54.8-36.6-177.5-64.7165.4000111.8K175 C176 V177 H209I173-K175 VanDerWaalsContact C-N 3.31Å; I173-K175 PolarHBondContact O-N 3.41Å; I173-C176 PolarHBondContact O-N 3.48Å; I173-V177 PolarHBondContact O-N 3.5Å; I173-H209 HydrophobicContact CG2-CB 4.17Å
174E69.5Low75.2Confident135 Ų13546 Ų4663%0.63124%0.242SC*.Hα-helixtrans-66.6-35.4-179-65-173.8171.700111.4D172 V177 S178D172-E174 PolarHBondContact O-N 3.38Å; D172-E174 PolarHBondContact OD1-N 2.83Å; E174-V177 PolarHBondContact O-N 3.4Å; E174-S178 PolarHBondContact O-N 2.82Å
175K73.9Confident74.7Confident114 Ų11449.8 Ų49.850%0.49626%0.262SS..Hα-helixtrans-69.3-37.8176-66.1-169.9-176.191.20112.6T168 D172 I173 V177 S178 L179T168-K175 HydrophobicContact CG2-CB 4.37Å; D172-K175 HydrophobicContact CB-CB 4.27Å; D172-K175 HydrophobicContact CB-CD 4.11Å; D172-K175 HydrophobicContact CB-CG 3.99Å; D172-K175 WeakPolarHBondContact O-CB 3.31Å; D172-K175 PolarHBondContact O-N 3.3Å; D172-K175 IonicContact OD2-NZ 2.6Å; D172-K175 PolarHBondContact OD2-NZ 3.34Å; I173-K175 VanDerWaalsContact C-N 3.31Å; I173-K175 PolarHBondContact O-N 3.41Å; K175-V177 VanDerWaalsContact C-N 3.3Å; K175-V177 PolarHBondContact O-N 3.42Å; K175-S178 WeakPolarHBondContact CA-OG 3.21Å; K175-S178 PolarHBondContact O-N 3.43Å; K175-S178 PolarHBondContact O-OG 2.9Å; K175-L179 WeakPolarHBondContact O-CB 3.3Å; K175-L179 PolarHBondContact O-N 2.92Å
176C72.7Confident74.6Confident6 Ų651.7 Ų51.74%0.04127%0.274CS..Hα-helixtrans-61.3-43.1175.6-176.30000110.5T168 D172 I173 L179 L180T168-C176 WeakPolarHBondContact OG1-CA 3.5Å; T168-C176 WeakPolarHBondContact OG1-CB 3.42Å; D172-C176 PolarHBondContact O-N 3.11Å; I173-C176 PolarHBondContact O-N 3.48Å; C176-L179 WeakPolarHBondContact O-CB 3.43Å; C176-L179 PolarHBondContact O-N 3.24Å; C176-L180 WeakPolarHBondContact O-CG 3.25Å; C176-L180 PolarHBondContact O-N 3.32Å; C176-L180 VanDerWaalsContact O-N 3.07Å
177V68.4Low74.2Confident4 Ų450.3 Ų50.32%0.02427%0.265CS..Hα-helixtrans-72.7-38.3179-179.40000111.8I173 E174 K175 L179 L180 L181 L210 V213I173-V177 PolarHBondContact O-N 3.5Å; E174-V177 PolarHBondContact O-N 3.4Å; K175-V177 VanDerWaalsContact C-N 3.3Å; K175-V177 PolarHBondContact O-N 3.42Å; V177-L179 PolarHBondContact O-N 3.17Å; V177-L180 PolarHBondContact O-N 3.24Å; V177-L180 VanDerWaalsContact O-N 3.09Å; V177-L181 HydrophobicContact CG1-CD1 3.91Å; V177-L181 HydrophobicContact CG1-CG 4.01Å; V177-L181 WeakPolarHBondContact O-CB 3.43Å; V177-L181 WeakPolarHBondContact O-CG 3.26Å; V177-L181 PolarHBondContact O-N 2.79Å; V177-L210 HydrophobicContact CG1-CD1 4.24Å; V177-V213 HydrophobicContact CB-CB 4.24Å; V177-V213 HydrophobicContact CB-CG1 4.13Å; V177-V213 HydrophobicContact CB-CG2 3.94Å; V177-V213 HydrophobicContact CG1-CB 3.85Å; V177-V213 HydrophobicContact CG1-CG1 3.55Å; V177-V213 HydrophobicContact CG1-CG2 4.13Å; V177-V213 HydrophobicContact CG2-CB 4.13Å; V177-V213 HydrophobicContact CG2-CG2 3.6Å
178S75Confident73.6Confident55 Ų5548.8 Ų48.839%0.38526%0.264SS..Hα-helixtrans-58.4-38.4172.266.60000111.5E174 K175 L181 D182E174-S178 PolarHBondContact O-N 2.82Å; K175-S178 WeakPolarHBondContact CA-OG 3.21Å; K175-S178 PolarHBondContact O-N 3.43Å; K175-S178 PolarHBondContact O-OG 2.9Å; S178-L181 PolarHBondContact O-N 3.33Å; S178-D182 WeakPolarHBondContact O-CB 3.48Å; S178-D182 PolarHBondContact O-N 3.48Å
179L79.7Confident73Confident5 Ų554 Ų543%0.02629%0.292CS..Hα-helixtrans-62.1-43.6174.6176.661.6000112.1V120 L161 C164 V165 K175 C176 V177 L183V120-L179 HydrophobicContact CG2-CD1 3.52Å; L161-L179 HydrophobicContact CD1-CD2 4.4Å; C164-L179 HydrophobicContact CB-CD2 3.74Å; V165-L179 HydrophobicContact CG2-CD2 4.24Å; K175-L179 WeakPolarHBondContact O-CB 3.3Å; K175-L179 PolarHBondContact O-N 2.92Å; C176-L179 WeakPolarHBondContact O-CB 3.43Å; C176-L179 PolarHBondContact O-N 3.24Å; V177-L179 PolarHBondContact O-N 3.17Å; L179-L183 WeakPolarHBondContact O-CB 3.46Å; L179-L183 PolarHBondContact O-N 3.34Å
180L75.8Confident72.8Confident10 Ų1055.8 Ų55.85%0.05230%0.298CS..Hα-helixtrans-69.9-37.9178.5-66.5175.6000112.6V165 C176 V177 L183 W184 L198 M255V165-L180 HydrophobicContact CG2-CD2 4.2Å; C176-L180 WeakPolarHBondContact O-CG 3.25Å; C176-L180 PolarHBondContact O-N 3.32Å; C176-L180 VanDerWaalsContact O-N 3.07Å; V177-L180 PolarHBondContact O-N 3.24Å; V177-L180 VanDerWaalsContact O-N 3.09Å; L180-L183 WeakPolarHBondContact O-CB 3.47Å; L180-L183 PolarHBondContact O-N 3Å; L180-W184 PolarHBondContact O-N 3.23Å; L180-L198 HydrophobicContact CD2-CD1 3.5Å; L180-M255 HydrophobicContact CB-CE 3.76Å; L180-M255 HydrophobicContact CD1-CE 4.19Å; L180-M255 HydrophobicContact CG-CE 4.41Å
181L75.7Confident72.8Confident20 Ų2048.3 Ų48.311%0.10526%0.263CS..Hα-helixtrans-68.3-41.2174.5-70.2175.2000111.2V177 S178 L183 W184 N185 A251 I252V177-L181 HydrophobicContact CG1-CD1 3.91Å; V177-L181 HydrophobicContact CG1-CG 4.01Å; V177-L181 WeakPolarHBondContact O-CB 3.43Å; V177-L181 WeakPolarHBondContact O-CG 3.26Å; V177-L181 PolarHBondContact O-N 2.79Å; S178-L181 PolarHBondContact O-N 3.33Å; L181-L183 VanDerWaalsContact C-N 3.33Å; L181-W184 PolarHBondContact O-N 3.11Å; L181-N185 VanDerWaalsContact O-CB 3.25Å; L181-N185 WeakPolarHBondContact O-CB 3.17Å; L181-N185 PolarHBondContact O-N 2.04Å; L181-N185 PolarHBondContact O-ND2 2.95Å; L181-A251 HydrophobicContact CD2-CB 3.65Å; L181-I252 HydrophobicContact CD2-CD1 4.38Å; L181-I252 HydrophobicContact CD2-CG1 3.75Å
182D77.9Confident72.8Confident91 Ų9145.6 Ų45.649%0.48724%0.241SC..Hα-helixtrans-62.1-43.4173.7-75.3-14.2000110.5S178 N185 T186S178-D182 WeakPolarHBondContact O-CB 3.48Å; S178-D182 PolarHBondContact O-N 3.48Å; D182-N185 PolarHBondContact O-N 3.42Å; D182-T186 VanDerWaalsContact O-CB 3.24Å; D182-T186 WeakPolarHBondContact O-CB 3.22Å; D182-T186 PolarHBondContact O-N 2.86Å; D182-T186 PolarHBondContact O-OG1 3.35Å
183L77.9Confident73.1Confident1 Ų143.3 Ų43.31%0.00523%0.229CC..Hα-helixtrans-56-54.2173.617965.9000110.6V120 L123 L161 L179 L180 L181 N185 T186 C187 C191 I194 L198V120-L183 HydrophobicContact CB-CD1 4.4Å; V120-L183 HydrophobicContact CG1-CB 4.33Å; V120-L183 HydrophobicContact CG1-CD1 4.18Å; V120-L183 HydrophobicContact CG2-CB 3.95Å; V120-L183 HydrophobicContact CG2-CD1 4.08Å; L123-L183 HydrophobicContact CB-CD1 4.41Å; L161-L183 HydrophobicContact CD2-CD2 3.92Å; L179-L183 WeakPolarHBondContact O-CB 3.46Å; L179-L183 PolarHBondContact O-N 3.34Å; L180-L183 WeakPolarHBondContact O-CB 3.47Å; L180-L183 PolarHBondContact O-N 3Å; L181-L183 VanDerWaalsContact C-N 3.33Å; L183-N185 PolarHBondContact O-N 3.35Å; L183-T186 PolarHBondContact O-N 2.92Å; L183-C187 PolarHBondContact O-N 2.95Å; L183-C187 PolarHBondContact O-SG 2.94Å; L183-C191 PolarHBondContact O-SG 3.43Å; L183-C191 VanDerWaalsContact O-SG 3.34Å; L183-I194 HydrophobicContact CD1-CD1 4.24Å; L183-I194 HydrophobicContact CD2-CG2 3.84Å; L183-L198 HydrophobicContact CD2-CD1 4.43Å
184W73.6Confident73.8Confident13 Ų1339.9 Ų39.95%0.04921%0.211CC..Hα-helixtrans-58.7-49.3178.5-178.8-86.6000112.3L180 L181 T186 G188 N189 C191 A251 S254 M255L180-W184 PolarHBondContact O-N 3.23Å; L181-W184 PolarHBondContact O-N 3.11Å; W184-T186 PolarHBondContact O-N 3.19Å; W184-G188 WeakPolarHBondContact O-CA 3.48Å; W184-G188 PolarHBondContact O-N 3.22Å; W184-N189 WeakPolarHBondContact CZ2-OD1 3.42Å; W184-C191 HydrophobicContact CE3-CB 4.36Å; W184-A251 HydrophobicContact CB-CB 4.15Å; W184-A251 HydrophobicContact CG-CB 3.71Å; W184-S254 WeakPolarHBondContact CZ2-OG 3.24Å; W184-M255 HydrophobicContact CB-SD 4.37Å; W184-M255 HydrophobicContact CD2-CG 4.35Å; W184-M255 HydrophobicContact CE3-CG 3.89Å
185N77.7Confident74Confident80 Ų8034.4 Ų34.443%0.42819%0.186SC..Hα-helixtrans-63.9-27-177.7-72.6-24.4000112L181 D182 L183 E247L181-N185 VanDerWaalsContact O-CB 3.25Å; L181-N185 WeakPolarHBondContact O-CB 3.17Å; L181-N185 PolarHBondContact O-N 2.04Å; L181-N185 PolarHBondContact O-ND2 2.95Å; D182-N185 PolarHBondContact O-N 3.42Å; L183-N185 PolarHBondContact O-N 3.35Å; N185-E247 PolarHBondContact ND2-O 2.94Å
186T79.4Confident73.9Confident46 Ų4631.3 Ų31.328%0.28217%0.172SC..Hα-helixtrans-86.8-39.5-178.3-51.50000113.3V120 A124 K128 D182 L183 W184V120-T186 HydrophobicContact CG1-CG2 4.37Å; A124-T186 HydrophobicContact CB-CG2 3.67Å; K128-T186 PolarHBondContact NZ-O 3.21Å; D182-T186 VanDerWaalsContact O-CB 3.24Å; D182-T186 WeakPolarHBondContact O-CB 3.22Å; D182-T186 PolarHBondContact O-N 2.86Å; D182-T186 PolarHBondContact O-OG1 3.35Å; L183-T186 PolarHBondContact O-N 2.92Å; W184-T186 PolarHBondContact O-N 3.19Å
187C72.9Confident74.1Confident2 Ų232.4 Ų32.41%0.01418%0.176CC..Hα-helixtrans-94.8-10.3174.435.20000115.5A124 L183 F190 C191A124-C187 HydrophobicContact CB-CB 3.73Å; L183-C187 PolarHBondContact O-N 2.95Å; L183-C187 PolarHBondContact O-SG 2.94Å; C187-F190 WeakPolarHBondContact O-CB 3.45Å; C187-F190 WeakPolarHBondContact O-CD2 3.28Å; C187-F190 WeakPolarHBondContact O-CG 3.44Å; C187-F190 PolarHBondContact O-N 3.37Å; C187-C191 VanDerWaalsContact CA-SG 3.56Å; C187-C191 HydrophobicContact CB-CB 4.26Å; C187-C191 WeakPolarHBondContact CB-SG 3.28Å; C187-C191 WeakPolarHBondContact SG-CB 3.41Å; C187-C191 CovalentContact SG-SG 2.04Å; C187-C191 PolarHBondContact SG-SG 2.72Å
188G69.3Low74.4Confident25 Ų2532.6 Ų32.626%0.25818%0.177SC..G310 helixtrans58.3-141-177.500000112.1W184 F190 C191W184-G188 WeakPolarHBondContact O-CA 3.48Å; W184-G188 PolarHBondContact O-N 3.22Å; G188-F190 PolarHBondContact O-N 2.97Å; G188-C191 PolarHBondContact O-N 2.9Å; G188-C191 PolarHBondContact O-SG 3.4Å; G188-C191 VanDerWaalsContact O-SG 3.33Å
189N64.4Low74.1Confident114 Ų11431.6 Ų31.661%0.6117%0.17SC*.G310 helixtrans-67.45.2180-62.6-9.7000114.1W184W184-N189 WeakPolarHBondContact CZ2-OD1 3.42Å
190F67.1Low73.8Confident78 Ų7836.6 Ų36.634%0.34220%0.195SC..G310 helixtrans-99-4.5-175.6-44.9-42.3000112.9Q131 C187 G188 D192 W193Q131-F190 HydrophobicContact CG-CD1 4.45Å; C187-F190 WeakPolarHBondContact O-CB 3.45Å; C187-F190 WeakPolarHBondContact O-CD2 3.28Å; C187-F190 WeakPolarHBondContact O-CG 3.44Å; C187-F190 PolarHBondContact O-N 3.37Å; G188-F190 PolarHBondContact O-N 2.97Å; F190-D192 VanDerWaalsContact C-N 3.26Å; F190-D192 PolarHBondContact O-N 2.81Å; F190-W193 VanDerWaalsContact O-CD1 3.27Å; F190-W193 PolarHBondContact O-NE1 3.21Å
191C70Confident73.5Confident0 Ų039 Ų390%021%0.21CC..  trans-80.82178.7-39.70000113.3L183 W184 C187 G188 W193 I194 M195L183-C191 PolarHBondContact O-SG 3.43Å; L183-C191 VanDerWaalsContact O-SG 3.34Å; W184-C191 HydrophobicContact CE3-CB 4.36Å; C187-C191 VanDerWaalsContact CA-SG 3.56Å; C187-C191 HydrophobicContact CB-CB 4.26Å; C187-C191 WeakPolarHBondContact CB-SG 3.28Å; C187-C191 WeakPolarHBondContact SG-CB 3.41Å; C187-C191 CovalentContact SG-SG 2.04Å; C187-C191 PolarHBondContact SG-SG 2.72Å; G188-C191 PolarHBondContact O-N 2.9Å; G188-C191 PolarHBondContact O-SG 3.4Å; G188-C191 VanDerWaalsContact O-SG 3.33Å; C191-W193 VanDerWaalsContact C-N 3.26Å; C191-W193 PolarHBondContact O-N 3.29Å; C191-W193 VanDerWaalsContact O-N 3.17Å; C191-I194 HydrophobicContact CB-CD1 4.37Å; C191-I194 WeakPolarHBondContact O-CA 3.48Å; C191-I194 WeakPolarHBondContact O-CB 3.23Å; C191-I194 PolarHBondContact O-N 3.15Å; C191-M195 HydrophobicContact CB-CG 4.44Å; C191-M195 PolarHBondContact O-N 3.3Å
192D71.8Confident73.3Confident35 Ų3539.8 Ų39.819%0.18721%0.213CC..Hα-helixtrans-54.2-40-173-74.8-2000113.2P141 F190 M195 K196 M258P141-D192 HydrophobicContact CB-CB 3.88Å; P141-D192 HydrophobicContact CG-CB 3.86Å; F190-D192 VanDerWaalsContact C-N 3.26Å; F190-D192 PolarHBondContact O-N 2.81Å; D192-M195 PolarHBondContact O-N 3.12Å; D192-K196 WeakPolarHBondContact O-CB 3.41Å; D192-K196 PolarHBondContact O-N 3.07Å; D192-M258 HydrophobicContact CB-SD 4.09Å
193W77.4Confident72.5Confident4 Ų438 Ų382%0.01521%0.207CC..Hα-helixtrans-71.9-32.4178.268.7-87000112.7L123 S127 L144 T145 Y148 L158 F190 C191 K196 Y197L123-W193 HydrophobicContact CD2-CH2 4.06Å; S127-W193 WeakPolarHBondContact OG-CZ2 3.41Å; S127-W193 PolarHBondContact OG-NE1 2.86Å; L144-W193 HydrophobicContact CB-CB 3.59Å; L144-W193 HydrophobicContact CB-CG 3.98Å; T145-W193 VanDerWaalsContact OG1-CA 3.3Å; T145-W193 WeakPolarHBondContact OG1-CA 3.39Å; T145-W193 WeakPolarHBondContact OG1-CB 3.28Å; T145-W193 PolarHBondContact OG1-O 2.95Å; T145-W193 VanDerWaalsContact OG1-O 3.06Å; Y148-W193 HydrophobicContact CD1-CH2 4.1Å; Y148-W193 HydrophobicContact CD1-CZ2 4.44Å; Y148-W193 HydrophobicContact CD1-CZ3 4.44Å; Y148-W193 AromaticContact CD2-CD2 3.65Å; Y148-W193 HydrophobicContact CD2-CD2 3.65Å; Y148-W193 AromaticContact CD2-CE2 3.7Å; Y148-W193 AromaticContact CD2-CE3 3.71Å; Y148-W193 HydrophobicContact CD2-CE3 3.71Å; Y148-W193 HydrophobicContact CD2-CG 4.32Å; Y148-W193 AromaticContact CD2-CH2 3.89Å; Y148-W193 HydrophobicContact CD2-CH2 3.89Å; Y148-W193 AromaticContact CD2-CZ2 3.84Å; Y148-W193 HydrophobicContact CD2-CZ2 3.84Å; Y148-W193 AromaticContact CD2-CZ3 3.81Å; Y148-W193 HydrophobicContact CD2-CZ3 3.81Å; Y148-W193 HydrophobicContact CE2-CD2 4.2Å; Y148-W193 AromaticContact CE2-CE2 3.85Å; Y148-W193 HydrophobicContact CE2-CH2 4.47Å; Y148-W193 HydrophobicContact CE2-CZ2 4.02Å; Y148-W193 HydrophobicContact CG-CD2 4.34Å; Y148-W193 AromaticContact CG-CE3 3.98Å; Y148-W193 HydrophobicContact CG-CE3 3.98Å; Y148-W193 AromaticContact CG-CH2 3.68Å; Y148-W193 HydrophobicContact CG-CH2 3.68Å; Y148-W193 HydrophobicContact CG-CZ2 4.07Å; Y148-W193 AromaticContact CG-CZ3 3.62Å; Y148-W193 HydrophobicContact CG-CZ3 3.62Å; L158-W193 HydrophobicContact CD1-CE3 4.39Å; L158-W193 HydrophobicContact CD1-CZ3 3.67Å; L158-W193 HydrophobicContact CD2-CE3 4.49Å; L158-W193 HydrophobicContact CD2-CH2 4.23Å; L158-W193 HydrophobicContact CD2-CZ3 3.74Å; L158-W193 HydrophobicContact CG-CH2 4.47Å; L158-W193 HydrophobicContact CG-CZ3 3.92Å; F190-W193 VanDerWaalsContact O-CD1 3.27Å; F190-W193 PolarHBondContact O-NE1 3.21Å; C191-W193 VanDerWaalsContact C-N 3.26Å; C191-W193 PolarHBondContact O-N 3.29Å; C191-W193 VanDerWaalsContact O-N 3.17Å; W193-K196 PolarHBondContact O-N 3.28Å; W193-Y197 PolarHBondContact O-N 2.88Å
194I79.3Confident71.8Confident0 Ų042.3 Ų42.30%023%0.23CC..Hα-helixtrans-69.5-44.7174.7-54.1170.4000109.3L123 L158 L161 L183 C191 K196 Y197 L198L123-I194 HydrophobicContact CB-CD1 3.9Å; L123-I194 HydrophobicContact CD1-CG2 4.41Å; L123-I194 HydrophobicContact CD2-CD1 4.47Å; L158-I194 HydrophobicContact CD2-CB 4.44Å; L158-I194 HydrophobicContact CD2-CG1 4.38Å; L158-I194 HydrophobicContact CD2-CG2 3.9Å; L161-I194 HydrophobicContact CD2-CG2 3.44Å; L161-I194 VanDerWaalsContact CD2-CG2 3.44Å; L183-I194 HydrophobicContact CD1-CD1 4.24Å; L183-I194 HydrophobicContact CD2-CG2 3.84Å; C191-I194 HydrophobicContact CB-CD1 4.37Å; C191-I194 WeakPolarHBondContact O-CA 3.48Å; C191-I194 WeakPolarHBondContact O-CB 3.23Å; C191-I194 PolarHBondContact O-N 3.15Å; I194-K196 VanDerWaalsContact C-N 3.27Å; I194-K196 PolarHBondContact O-N 3.4Å; I194-Y197 WeakPolarHBondContact O-CB 3.48Å; I194-Y197 PolarHBondContact O-N 2.87Å; I194-Y197 VanDerWaalsContact O-N 3.16Å; I194-L198 WeakPolarHBondContact O-CG 3.48Å; I194-L198 PolarHBondContact O-N 2.63Å
195M73.2Confident71.5Confident19 Ų1945.7 Ų45.79%0.09425%0.248CC..Hα-helixtrans-65.3-33.3177.1-69.5-54.8-49.500111.6C191 D192 L198 S199 M255 M258C191-M195 HydrophobicContact CB-CG 4.44Å; C191-M195 PolarHBondContact O-N 3.3Å; D192-M195 PolarHBondContact O-N 3.12Å; M195-L198 HydrophobicContact CE-CD1 4.34Å; M195-L198 PolarHBondContact O-N 2.9Å; M195-L198 HydrophobicContact SD-CD1 3.9Å; M195-S199 WeakPolarHBondContact O-CB 3.5Å; M195-S199 PolarHBondContact O-N 2.76Å; M195-M255 HydrophobicContact CE-CB 4.41Å; M195-M255 HydrophobicContact CE-CE 3.24Å; M195-M255 HydrophobicContact CE-CG 4.13Å; M195-M255 HydrophobicContact CE-SD 4.48Å; M195-M255 HydrophobicContact SD-CE 3.74Å; M195-M255 HydrophobicContact SD-CG 4.35Å; M195-M258 HydrophobicContact CB-CE 3.25Å; M195-M258 HydrophobicContact CB-SD 3.67Å; M195-M258 HydrophobicContact CG-CE 4.46Å
196K72.8Confident71Confident50 Ų5043.1 Ų43.122%0.21724%0.239CC..Hα-helixtrans-65.9-41.9171.3179.557.9171.3170.40111.9T145 D192 W193 I194 L198 S199 I200T145-K196 HydrophobicContact CG2-CG 4.36Å; D192-K196 WeakPolarHBondContact O-CB 3.41Å; D192-K196 PolarHBondContact O-N 3.07Å; W193-K196 PolarHBondContact O-N 3.28Å; I194-K196 VanDerWaalsContact C-N 3.27Å; I194-K196 PolarHBondContact O-N 3.4Å; K196-L198 VanDerWaalsContact C-N 3.35Å; K196-S199 PolarHBondContact O-N 3.11Å; K196-S199 PolarHBondContact O-OG 3.48Å; K196-S199 VanDerWaalsContact O-OG 3.05Å; K196-I200 HydrophobicContact CD-CD1 4.23Å; K196-I200 HydrophobicContact CD-CG1 4.47Å; K196-I200 HydrophobicContact CG-CD1 4.19Å; K196-I200 WeakPolarHBondContact O-CD1 3.43Å; K196-I200 VanDerWaalsContact O-CG1 3.28Å; K196-I200 WeakPolarHBondContact O-CG1 3.38Å; K196-I200 PolarHBondContact O-N 3.42Å; K196-I200 VanDerWaalsContact O-N 3.17Å
197Y77.5Confident70.8Confident28 Ų2842.1 Ų42.111%0.1123%0.231CC..Hα-helixtrans-57.9-50.2171.7172.9-90.3000110.3T149 L158 D159 W193 I194 S199 I200 T201T149-Y197 HydrophobicContact CG2-CD2 3.97Å; T149-Y197 HydrophobicContact CG2-CE2 4.4Å; L158-Y197 HydrophobicContact CB-CD1 4.07Å; L158-Y197 HydrophobicContact CB-CD2 4.34Å; L158-Y197 HydrophobicContact CB-CE1 3.85Å; L158-Y197 HydrophobicContact CB-CE2 4.08Å; L158-Y197 HydrophobicContact CB-CG 4.32Å; L158-Y197 HydrophobicContact CD1-CD1 4.45Å; L158-Y197 HydrophobicContact CD1-CD2 3.8Å; L158-Y197 HydrophobicContact CD1-CE2 4.21Å; L158-Y197 HydrophobicContact CD1-CG 3.93Å; L158-Y197 HydrophobicContact CD2-CD1 4Å; L158-Y197 HydrophobicContact CD2-CG 4.12Å; L158-Y197 HydrophobicContact CG-CD1 4.42Å; L158-Y197 HydrophobicContact CG-CG 4.37Å; L158-Y197 WeakPolarHBondContact O-CE1 3.39Å; D159-Y197 WeakPolarHBondContact CA-OH 3.49Å; D159-Y197 PolarHBondContact OD1-OH 2.69Å; W193-Y197 PolarHBondContact O-N 2.88Å; I194-Y197 WeakPolarHBondContact O-CB 3.48Å; I194-Y197 PolarHBondContact O-N 2.87Å; I194-Y197 VanDerWaalsContact O-N 3.16Å; Y197-S199 VanDerWaalsContact C-N 3.32Å; Y197-S199 PolarHBondContact O-N 3.15Å; Y197-I200 PolarHBondContact O-N 2.69Å; Y197-I200 VanDerWaalsContact O-N 3.11Å; Y197-T201 PolarHBondContact O-N 3.07Å; Y197-T201 PolarHBondContact O-OG1 2.62Å
198L73.9Confident70.9Confident8 Ų846.3 Ų46.34%0.04225%0.249CC..Hα-helixtrans-61.2-36.7178.8-69176.6000113.4L161 V165 L180 L183 I194 M195 K196 I200 T201 F202L161-L198 HydrophobicContact CD2-CD1 4.12Å; L161-L198 HydrophobicContact CD2-CD2 4.15Å; L161-L198 HydrophobicContact CD2-CG 4.31Å; L161-L198 HydrophobicContact CG-CD2 4.31Å; V165-L198 HydrophobicContact CG2-CD2 4.14Å; L180-L198 HydrophobicContact CD2-CD1 3.5Å; L183-L198 HydrophobicContact CD2-CD1 4.43Å; I194-L198 WeakPolarHBondContact O-CG 3.48Å; I194-L198 PolarHBondContact O-N 2.63Å; M195-L198 HydrophobicContact CE-CD1 4.34Å; M195-L198 PolarHBondContact O-N 2.9Å; M195-L198 HydrophobicContact SD-CD1 3.9Å; K196-L198 VanDerWaalsContact C-N 3.35Å; L198-I200 VanDerWaalsContact C-N 3.29Å; L198-I200 PolarHBondContact O-N 2.69Å; L198-T201 PolarHBondContact O-N 3.48Å; L198-F202 HydrophobicContact CD2-CD2 4.05Å; L198-F202 HydrophobicContact CD2-CE2 3.97Å; L198-F202 PolarHBondContact O-N 3.38Å
199S69.3Low71.2Confident34 Ų3446.4 Ų46.424%0.23824%0.243CC..Hα-helixtrans-69.9-27.4177.7740000113.1M195 K196 Y197M195-S199 WeakPolarHBondContact O-CB 3.5Å; M195-S199 PolarHBondContact O-N 2.76Å; K196-S199 PolarHBondContact O-N 3.11Å; K196-S199 PolarHBondContact O-OG 3.48Å; K196-S199 VanDerWaalsContact O-OG 3.05Å; Y197-S199 VanDerWaalsContact C-N 3.32Å; Y197-S199 PolarHBondContact O-N 3.15Å
200I72Confident71.8Confident111 Ų11141.2 Ų41.257%0.56922%0.215SC*.Hα-helixtrans-75.9-39.5172.5-64.8163.5000110.3K196 Y197 L198K196-I200 HydrophobicContact CD-CD1 4.23Å; K196-I200 HydrophobicContact CD-CG1 4.47Å; K196-I200 HydrophobicContact CG-CD1 4.19Å; K196-I200 WeakPolarHBondContact O-CD1 3.43Å; K196-I200 VanDerWaalsContact O-CG1 3.28Å; K196-I200 WeakPolarHBondContact O-CG1 3.38Å; K196-I200 PolarHBondContact O-N 3.42Å; K196-I200 VanDerWaalsContact O-N 3.17Å; Y197-I200 PolarHBondContact O-N 2.69Å; Y197-I200 VanDerWaalsContact O-N 3.11Å; L198-I200 VanDerWaalsContact C-N 3.29Å; L198-I200 PolarHBondContact O-N 2.69Å
201T71.1Confident72.5Confident59 Ų5938.1 Ų38.136%0.36220%0.202SC..Hα-helixtrans-79.2-30.2-175.6-44.90000112.9Y197 L198Y197-T201 PolarHBondContact O-N 3.07Å; Y197-T201 PolarHBondContact O-OG1 2.62Å; L198-T201 PolarHBondContact O-N 3.48Å
202F70.5Confident72.9Confident37 Ų3744 Ų4416%0.16223%0.228CC..SBendtrans-135.768.3-174.4-54.1-76.5000113G162 V165 L198 A206G162-F202 VanDerWaalsContact O-CZ 3.31Å; G162-F202 WeakPolarHBondContact O-CZ 3.23Å; V165-F202 HydrophobicContact CB-CE2 4.14Å; V165-F202 HydrophobicContact CB-CZ 4.36Å; V165-F202 HydrophobicContact CG1-CD2 3.97Å; V165-F202 HydrophobicContact CG1-CE2 3.84Å; V165-F202 HydrophobicContact CG1-CG 4.39Å; V165-F202 HydrophobicContact CG1-CZ 4.15Å; L198-F202 HydrophobicContact CD2-CD2 4.05Å; L198-F202 HydrophobicContact CD2-CE2 3.97Å; L198-F202 PolarHBondContact O-N 3.38Å; F202-A206 HydrophobicContact CB-CB 4.17Å; F202-A206 WeakPolarHBondContact O-CB 3.29Å
203P61.4Low73.2Confident55 Ų5543.4 Ų43.436%0.35723%0.226SC..Hα-helixtrans-67.7-49.9-168.123.1-32.2000115.2
204D63.1Low73.5Confident91 Ų9143.2 Ų43.249%0.48723%0.225SC..Hα-helixtrans-87.8-36-165.9-75.1-22.9000114.6K208D204-K208 WeakPolarHBondContact O-CD 3.38Å
205D67Low73.8Confident83 Ų8343.5 Ų43.544%0.44423%0.226SC..Hα-helixtrans-88.3-42-172.3-73.5-41.2000111.9L169 L207 K208 H209L169-D205 HydrophobicContact CD2-CB 4.22Å; D205-L207 PolarHBondContact O-N 3.24Å; D205-K208 PolarHBondContact O-N 3.28Å; D205-H209 VanDerWaalsContact C-ND1 3.32Å; D205-H209 WeakPolarHBondContact O-CB 3.47Å; D205-H209 PolarHBondContact O-N 2.96Å; D205-H209 PolarHBondContact O-ND1 3.37Å; D205-H209 IonicContact OD1-CE1 3.86Å
206A68.7Low74.3Confident27 Ų2745.6 Ų45.622%0.22324%0.238CC..Hα-helixtrans-59.9-43.4-171.300000112.8F202 H209 L210F202-A206 HydrophobicContact CB-CB 4.17Å; F202-A206 WeakPolarHBondContact O-CB 3.29Å; A206-H209 PolarHBondContact O-N 3.42Å; A206-L210 VanDerWaalsContact O-CB 3.28Å; A206-L210 WeakPolarHBondContact O-CB 3.43Å; A206-L210 PolarHBondContact O-N 3.1Å
207L74.6Confident74.8Confident24 Ų2444.1 Ų44.113%0.12623%0.232CC..Hα-helixtrans-68.8-42.6-179.7-64.4176.7000112.5D205 H209 L210 L211 L256 A259 F267 L270D205-L207 PolarHBondContact O-N 3.24Å; L207-H209 VanDerWaalsContact C-N 3.32Å; L207-H209 PolarHBondContact O-N 2.89Å; L207-L210 PolarHBondContact O-N 2.9Å; L207-L211 WeakPolarHBondContact O-CB 3.49Å; L207-L211 PolarHBondContact O-N 3.35Å; L207-L256 HydrophobicContact CD2-CD2 4.13Å; L207-A259 HydrophobicContact CD1-CB 4.24Å; L207-A259 HydrophobicContact CD2-CB 3.68Å; L207-F267 HydrophobicContact CD1-CB 4.41Å; L207-F267 HydrophobicContact CD1-CD2 4.44Å; L207-L270 HydrophobicContact CB-CD2 3.66Å
208K74.8Confident75.4Confident90 Ų9042.8 Ų42.839%0.39123%0.227SC..Hα-helixtrans-60.5-43.2175.6-78.7173.6-173.1165.80111.3D204 D205 K212 L270D204-K208 WeakPolarHBondContact O-CD 3.38Å; D205-K208 PolarHBondContact O-N 3.28Å; K208-K212 WeakPolarHBondContact O-CG 3.24Å; K208-K212 PolarHBondContact O-N 3.41Å; K208-L270 HydrophobicContact CB-CD1 4.39Å; K208-L270 HydrophobicContact CD-CD1 4.42Å; K208-L270 HydrophobicContact CG-CD1 3.39Å; K208-L270 HydrophobicContact CG-CD2 4.48Å
209H74.7Confident76.1Confident27 Ų2743.1 Ų43.113%0.12523%0.23CC..Hα-helixtrans-70.3-42.2179.4-68.3101.4000111.9I173 D205 A206 L207 L211 K212 V213I173-H209 HydrophobicContact CG2-CB 4.17Å; D205-H209 VanDerWaalsContact C-ND1 3.32Å; D205-H209 WeakPolarHBondContact O-CB 3.47Å; D205-H209 PolarHBondContact O-N 2.96Å; D205-H209 PolarHBondContact O-ND1 3.37Å; D205-H209 IonicContact OD1-CE1 3.86Å; A206-H209 PolarHBondContact O-N 3.42Å; L207-H209 VanDerWaalsContact C-N 3.32Å; L207-H209 PolarHBondContact O-N 2.89Å; H209-L211 VanDerWaalsContact C-N 3.3Å; H209-L211 PolarHBondContact O-N 3.27Å; H209-K212 PolarHBondContact O-N 3.02Å; H209-V213 PolarHBondContact O-N 2.85Å
210L77.4Confident76.9Confident6 Ų645 Ų453%0.03124%0.24CC..Hα-helixtrans-59.6-41.3174.9-17563.3000111.7V177 A206 L207 G214 I252 M255 L256V177-L210 HydrophobicContact CG1-CD1 4.24Å; A206-L210 VanDerWaalsContact O-CB 3.28Å; A206-L210 WeakPolarHBondContact O-CB 3.43Å; A206-L210 PolarHBondContact O-N 3.1Å; L207-L210 PolarHBondContact O-N 2.9Å; L210-G214 PolarHBondContact O-N 2.99Å; L210-I252 HydrophobicContact CD1-CG1 4.22Å; L210-I252 HydrophobicContact CG-CG2 4.39Å; L210-M255 HydrophobicContact CD1-CE 4.09Å; L210-M255 HydrophobicContact CD1-SD 4.29Å; L210-M255 HydrophobicContact CD2-CB 3.75Å; L210-M255 HydrophobicContact CD2-CE 3.87Å; L210-M255 HydrophobicContact CD2-SD 4.31Å; L210-L256 HydrophobicContact CD2-CD2 3.77Å; L210-L256 HydrophobicContact CD2-CG 3.85Å; L210-L256 HydrophobicContact CG-CD2 4.29Å; L210-L256 HydrophobicContact CG-CG 4.37Å
211L81.1Confident77.8Confident12 Ų1240.4 Ų40.46%0.06322%0.216CC..Hα-helixtrans-65.6-44175.4-169.274.9000112L207 H209 V213 G214 L215 L256 L270 V274 F293 L297L207-L211 WeakPolarHBondContact O-CB 3.49Å; L207-L211 PolarHBondContact O-N 3.35Å; H209-L211 VanDerWaalsContact C-N 3.3Å; H209-L211 PolarHBondContact O-N 3.27Å; L211-V213 PolarHBondContact O-N 2.96Å; L211-G214 PolarHBondContact O-N 3.49Å; L211-L215 WeakPolarHBondContact O-CB 3.41Å; L211-L215 PolarHBondContact O-N 3.38Å; L211-L256 HydrophobicContact CD1-CD1 4.17Å; L211-L270 HydrophobicContact CD2-CD1 4.44Å; L211-L270 HydrophobicContact CD2-CG 4.46Å; L211-V274 HydrophobicContact CD2-CB 4.47Å; L211-V274 HydrophobicContact CD2-CG1 4.34Å; L211-V274 HydrophobicContact CD2-CG2 3.45Å; L211-V274 VanDerWaalsContact CD2-CG2 3.45Å; L211-F293 HydrophobicContact CD1-CD1 4.45Å; L211-F293 HydrophobicContact CD1-CE1 3.64Å; L211-F293 HydrophobicContact CD1-CZ 4.41Å; L211-F293 HydrophobicContact CG-CE1 4.21Å; L211-L297 HydrophobicContact CD1-CD1 3.91Å
212K79.8Confident78.6Confident123 Ų12337.7 Ų37.754%0.53520%0.199SC..Hα-helixtrans-61.2-41.7176.7-78175.2-178.8176.10112.3K208 H209 L215 N216K208-K212 WeakPolarHBondContact O-CG 3.24Å; K208-K212 PolarHBondContact O-N 3.41Å; H209-K212 PolarHBondContact O-N 3.02Å; K212-L215 PolarHBondContact O-N 3.26Å; K212-N216 PolarHBondContact O-N 3.46Å
213V77.8Confident79.5Confident24 Ų2438.1 Ų38.115%0.14521%0.207CC..Hα-helixtrans-70.8-45.2177.7173.50000111V177 H209 L211 L215 N216 D217V177-V213 HydrophobicContact CB-CB 4.24Å; V177-V213 HydrophobicContact CB-CG1 4.13Å; V177-V213 HydrophobicContact CB-CG2 3.94Å; V177-V213 HydrophobicContact CG1-CB 3.85Å; V177-V213 HydrophobicContact CG1-CG1 3.55Å; V177-V213 HydrophobicContact CG1-CG2 4.13Å; V177-V213 HydrophobicContact CG2-CB 4.13Å; V177-V213 HydrophobicContact CG2-CG2 3.6Å; H209-V213 PolarHBondContact O-N 2.85Å; L211-V213 PolarHBondContact O-N 2.96Å; V213-L215 PolarHBondContact O-N 2.86Å; V213-N216 WeakPolarHBondContact O-CA 3.02Å; V213-N216 WeakPolarHBondContact O-CB 3.22Å; V213-N216 PolarHBondContact O-N 3.46Å; V213-D217 PolarHBondContact O-N 2.92Å
214G83.2Confident80.7Confident0 Ų036.7 Ų36.70%020%0.201CC..Hα-helixtrans-57.5-37.3174.800000112.6L210 L211 F218 I252 F293L210-G214 PolarHBondContact O-N 2.99Å; L211-G214 PolarHBondContact O-N 3.49Å; G214-F218 VanDerWaalsContact O-CB 3.27Å; G214-F218 WeakPolarHBondContact O-CB 3.46Å; G214-F218 PolarHBondContact O-N 3.11Å; G214-I252 VanDerWaalsContact CA-CD1 3.45Å; G214-F293 VanDerWaalsContact C-CE2 3.45Å; G214-F293 WeakPolarHBondContact O-CE2 3.15Å
215L85.8Confident81.9Confident6 Ų632.4 Ų32.43%0.03118%0.179CC..Hα-helixtrans-64.8-44.3172178.166.3000111.8L211 K212 V213 F218 C219 Y290 F293L211-L215 WeakPolarHBondContact O-CB 3.41Å; L211-L215 PolarHBondContact O-N 3.38Å; K212-L215 PolarHBondContact O-N 3.26Å; V213-L215 PolarHBondContact O-N 2.86Å; L215-F218 PolarHBondContact O-N 3.32Å; L215-C219 WeakPolarHBondContact O-CB 3.4Å; L215-C219 PolarHBondContact O-N 2.97Å; L215-C219 PolarHBondContact O-SG 2.62Å; L215-Y290 HydrophobicContact CD1-CD2 4.33Å; L215-Y290 HydrophobicContact CD1-CG 4.37Å; L215-Y290 HydrophobicContact CD2-CD1 4Å; L215-Y290 HydrophobicContact CD2-CD2 3.53Å; L215-Y290 HydrophobicContact CD2-CE1 3.7Å; L215-Y290 HydrophobicContact CD2-CE2 3.22Å; L215-Y290 HydrophobicContact CD2-CG 3.94Å; L215-F293 HydrophobicContact CB-CD1 3.87Å; L215-F293 HydrophobicContact CB-CE1 3.97Å; L215-F293 HydrophobicContact CD1-CB 3.86Å; L215-F293 HydrophobicContact CD1-CD1 3.94Å; L215-F293 HydrophobicContact CD1-CG 4.08Å
216N83.6Confident82.9Confident62 Ų6230.3 Ų30.333%0.33217%0.167SC..Hα-helixtrans-63.8-42.2178.5-16759.5000111.7K212 V213 F218 C219 T220K212-N216 PolarHBondContact O-N 3.46Å; V213-N216 WeakPolarHBondContact O-CA 3.02Å; V213-N216 WeakPolarHBondContact O-CB 3.22Å; V213-N216 PolarHBondContact O-N 3.46Å; N216-F218 VanDerWaalsContact C-N 3.34Å; N216-F218 PolarHBondContact O-N 3.31Å; N216-C219 WeakPolarHBondContact O-CB 3.5Å; N216-C219 PolarHBondContact O-N 3.4Å; N216-T220 WeakPolarHBondContact O-CG2 3.25Å; N216-T220 PolarHBondContact O-N 3.31Å; N216-T220 PolarHBondContact O-OG1 2.89Å
217D84.5Confident83.8Confident20 Ų2035.3 Ų35.311%0.10719%0.186CC..Hα-helixtrans-61.7-42.5173.1-80.8-32.9000111.8V213 T220 Y221 Y244 K248V213-D217 PolarHBondContact O-N 2.92Å; D217-T220 PolarHBondContact O-N 3.32Å; D217-T220 PolarHBondContact O-OG1 2.9Å; D217-Y221 VanDerWaalsContact O-CB 3.32Å; D217-Y221 WeakPolarHBondContact O-CB 3.47Å; D217-Y221 PolarHBondContact O-N 3.2Å; D217-Y244 HydrophobicContact CB-CE2 4.4Å; D217-K248 HydrophobicContact CB-CD 3.97Å; D217-K248 IonicContact OD1-NZ 3.43Å; D217-K248 PolarHBondContact OD1-NZ 3.24Å
218F89.5Confident84.5Confident0 Ų036.2 Ų36.20%019%0.191CC..Hα-helixtrans-64.3-40.2174.1-177.1-97.4000111.9G214 L215 N216 T220 Y221 V222 Y244 P292 F293 R296 V331G214-F218 VanDerWaalsContact O-CB 3.27Å; G214-F218 WeakPolarHBondContact O-CB 3.46Å; G214-F218 PolarHBondContact O-N 3.11Å; L215-F218 PolarHBondContact O-N 3.32Å; N216-F218 VanDerWaalsContact C-N 3.34Å; N216-F218 PolarHBondContact O-N 3.31Å; F218-T220 PolarHBondContact O-N 2.97Å; F218-Y221 HydrophobicContact CD2-CD1 4.03Å; F218-Y221 HydrophobicContact CD2-CE1 4.49Å; F218-Y221 HydrophobicContact CE2-CD1 4.21Å; F218-Y221 HydrophobicContact CE2-CE1 4.27Å; F218-Y221 PolarHBondContact O-N 2.79Å; F218-V222 HydrophobicContact CD1-CG2 3.95Å; F218-V222 HydrophobicContact CD2-CG2 4.31Å; F218-V222 HydrophobicContact CE1-CG2 3.5Å; F218-V222 VanDerWaalsContact CE1-CG2 3.5Å; F218-V222 HydrophobicContact CE2-CG2 3.91Å; F218-V222 HydrophobicContact CG-CG2 4.34Å; F218-V222 HydrophobicContact CZ-CG2 3.48Å; F218-V222 VanDerWaalsContact CZ-CG2 3.48Å; F218-V222 WeakPolarHBondContact O-CB 3.07Å; F218-V222 WeakPolarHBondContact O-CG2 3.38Å; F218-V222 PolarHBondContact O-N 3.42Å; F218-Y244 HydrophobicContact CD2-CE1 4.25Å; F218-Y244 AromaticContact CD2-CZ 3.99Å; F218-Y244 WeakPolarHBondContact CD2-OH 2.94Å; F218-P292 HydrophobicContact CE1-CB 3.73Å; F218-P292 HydrophobicContact CZ-CB 3.75Å; F218-F293 HydrophobicContact CB-CB 4.39Å; F218-F293 HydrophobicContact CB-CD2 3.56Å; F218-F293 HydrophobicContact CB-CE2 4.17Å; F218-F293 HydrophobicContact CB-CG 4.18Å; F218-F293 HydrophobicContact CD1-CB 3.71Å; F218-F293 HydrophobicContact CD1-CD2 4.36Å; F218-F293 HydrophobicContact CD1-CG 4.41Å; F218-F293 HydrophobicContact CD2-CD2 4.09Å; F218-F293 HydrophobicContact CE1-CB 4.1Å; F218-F293 HydrophobicContact CG-CB 3.98Å; F218-F293 AromaticContact CG-CD2 3.75Å; F218-F293 HydrophobicContact CG-CD2 3.75Å; F218-F293 HydrophobicContact CG-CG 4.24Å; F218-R296 HydrophobicContact CE2-CB 4.19Å; F218-R296 HydrophobicContact CE2-CG 4.3Å; F218-V331 HydrophobicContact CZ-CG1 4.47Å
219C88.5Confident85Confident14 Ų1435.9 Ų35.910%0.09519%0.193CC..Hα-helixtrans-61.4-43.5176.5-68.40000111.8L215 N216 S223 Y289L215-C219 WeakPolarHBondContact O-CB 3.4Å; L215-C219 PolarHBondContact O-N 2.97Å; L215-C219 PolarHBondContact O-SG 2.62Å; N216-C219 WeakPolarHBondContact O-CB 3.5Å; N216-C219 PolarHBondContact O-N 3.4Å; C219-S223 VanDerWaalsContact O-CB 3.31Å; C219-S223 WeakPolarHBondContact O-CB 3.41Å; C219-S223 PolarHBondContact O-N 3.11Å; C219-S223 PolarHBondContact O-OG 3.4Å; C219-Y289 HydrophobicContact CB-CD2 4.1Å; C219-Y289 VanDerWaalsContact SG-CD2 3.5Å
220T86.4Confident85.5Confident74 Ų7444.8 Ų44.845%0.45423%0.225SC..Hα-helixtrans-66.9-44.5177.456.30000111.2N216 D217 F218 S223 G224N216-T220 WeakPolarHBondContact O-CG2 3.25Å; N216-T220 PolarHBondContact O-N 3.31Å; N216-T220 PolarHBondContact O-OG1 2.89Å; D217-T220 PolarHBondContact O-N 3.32Å; D217-T220 PolarHBondContact O-OG1 2.9Å; F218-T220 PolarHBondContact O-N 2.97Å; T220-S223 PolarHBondContact O-N 3Å; T220-G224 PolarHBondContact O-N 3.23Å
221Y89.5Confident86Confident15 Ų1547.8 Ų47.86%0.05925%0.247CC..Hα-helixtrans-56.5-53.1173.9160-110.8000111.9D217 F218 S223 G224 V225 H241 Y244 W334 A335D217-Y221 VanDerWaalsContact O-CB 3.32Å; D217-Y221 WeakPolarHBondContact O-CB 3.47Å; D217-Y221 PolarHBondContact O-N 3.2Å; F218-Y221 HydrophobicContact CD2-CD1 4.03Å; F218-Y221 HydrophobicContact CD2-CE1 4.49Å; F218-Y221 HydrophobicContact CE2-CD1 4.21Å; F218-Y221 HydrophobicContact CE2-CE1 4.27Å; F218-Y221 PolarHBondContact O-N 2.79Å; Y221-S223 VanDerWaalsContact C-N 3.35Å; Y221-S223 PolarHBondContact O-N 2.93Å; Y221-G224 PolarHBondContact O-N 3.18Å; Y221-V225 HydrophobicContact CD2-CG2 3.88Å; Y221-V225 HydrophobicContact CE2-CG2 3.37Å; Y221-V225 WeakPolarHBondContact O-CG2 3.48Å; Y221-V225 PolarHBondContact O-N 3.16Å; Y221-H241 HydrophobicContact CE2-CB 4.27Å; Y221-H241 AromaticContact CZ-ND1 3.68Å; Y221-H241 PolarHBondContact OH-ND1 3.26Å; Y221-Y244 AromaticContact CD1-CD1 3.81Å; Y221-Y244 HydrophobicContact CD1-CD1 3.81Å; Y221-Y244 HydrophobicContact CD1-CD2 4.38Å; Y221-Y244 AromaticContact CD1-CE1 3.95Å; Y221-Y244 HydrophobicContact CD1-CE1 3.95Å; Y221-Y244 HydrophobicContact CD1-CG 4.04Å; Y221-Y244 HydrophobicContact CD2-CD1 4.16Å; Y221-Y244 HydrophobicContact CD2-CD2 4.41Å; Y221-Y244 AromaticContact CD2-CG 3.81Å; Y221-Y244 HydrophobicContact CD2-CG 3.81Å; Y221-Y244 AromaticContact CE1-CD1 3.98Å; Y221-Y244 HydrophobicContact CE1-CD1 3.98Å; Y221-Y244 HydrophobicContact CE1-CE1 4.22Å; Y221-Y244 HydrophobicContact CE2-CD1 4.32Å; Y221-Y244 HydrophobicContact CE2-CG 4.34Å; Y221-Y244 AromaticContact CG-CD1 3.91Å; Y221-Y244 HydrophobicContact CG-CD1 3.91Å; Y221-Y244 AromaticContact CG-CD2 3.92Å; Y221-Y244 HydrophobicContact CG-CD2 3.92Å; Y221-Y244 HydrophobicContact CG-CE1 4.4Å; Y221-Y244 HydrophobicContact CG-CE2 4.43Å; Y221-Y244 AromaticContact CG-CG 3.66Å; Y221-Y244 HydrophobicContact CG-CG 3.66Å; Y221-W334 WeakPolarHBondContact OH-CZ3 3.32Å; Y221-A335 HydrophobicContact CE1-CB 3.99Å; Y221-A335 WeakPolarHBondContact OH-CB 3.46Å
222V89.9Confident86Confident1 Ų150.2 Ų50.21%0.00628%0.275CS..Hα-helixtrans-62.9-41.3-179.7167.60000111.6F218 G224 V225 L226 Y289 V331F218-V222 HydrophobicContact CD1-CG2 3.95Å; F218-V222 HydrophobicContact CD2-CG2 4.31Å; F218-V222 HydrophobicContact CE1-CG2 3.5Å; F218-V222 VanDerWaalsContact CE1-CG2 3.5Å; F218-V222 HydrophobicContact CE2-CG2 3.91Å; F218-V222 HydrophobicContact CG-CG2 4.34Å; F218-V222 HydrophobicContact CZ-CG2 3.48Å; F218-V222 VanDerWaalsContact CZ-CG2 3.48Å; F218-V222 WeakPolarHBondContact O-CB 3.07Å; F218-V222 WeakPolarHBondContact O-CG2 3.38Å; F218-V222 PolarHBondContact O-N 3.42Å; V222-G224 PolarHBondContact O-N 3.49Å; V222-V225 PolarHBondContact O-N 3.36Å; V222-L226 HydrophobicContact CG1-CD1 3.8Å; V222-L226 HydrophobicContact CG1-CG 4.19Å; V222-L226 WeakPolarHBondContact O-CB 3.29Å; V222-L226 VanDerWaalsContact O-CG 3.29Å; V222-L226 WeakPolarHBondContact O-CG 3.45Å; V222-L226 PolarHBondContact O-N 2.89Å; V222-Y289 HydrophobicContact CG1-CD1 4.32Å; V222-Y289 HydrophobicContact CG1-CE1 3.71Å; V222-V331 HydrophobicContact CB-CG1 4.45Å; V222-V331 HydrophobicContact CG1-CB 4.41Å; V222-V331 HydrophobicContact CG1-CG1 3.82Å; V222-V331 HydrophobicContact CG1-CG2 3.76Å; V222-V331 HydrophobicContact CG2-CG1 3.71Å; V222-V331 HydrophobicContact CG2-CG2 4.4Å
223S88Confident86.3Confident47 Ų4748.5 Ų48.533%0.32927%0.272SS..Hα-helixtrans-62.6-44.5178.2-57.80000111C219 T220 Y221 L226 E227C219-S223 VanDerWaalsContact O-CB 3.31Å; C219-S223 WeakPolarHBondContact O-CB 3.41Å; C219-S223 PolarHBondContact O-N 3.11Å; C219-S223 PolarHBondContact O-OG 3.4Å; T220-S223 PolarHBondContact O-N 3Å; Y221-S223 VanDerWaalsContact C-N 3.35Å; Y221-S223 PolarHBondContact O-N 2.93Å; S223-L226 PolarHBondContact O-N 2.91Å; S223-E227 WeakPolarHBondContact O-CG 3.45Å; S223-E227 PolarHBondContact O-N 3.09Å
224G87.6Confident86.5Confident24 Ų2451.6 Ų51.625%0.24729%0.294CS..Hα-helixtrans-64.3-39.2175.200000113.1T220 Y221 V222 N228T220-G224 PolarHBondContact O-N 3.23Å; Y221-G224 PolarHBondContact O-N 3.18Å; V222-G224 PolarHBondContact O-N 3.49Å; G224-N228 WeakPolarHBondContact O-CB 3.5Å; G224-N228 PolarHBondContact O-N 2.86Å; G224-N228 PolarHBondContact O-ND2 3.41Å
225V88.2Confident86.5Confident1 Ų155.4 Ų55.41%0.00633%0.326CS..Hα-helixtrans-62.1-48.1173.5164.50000111Y221 V222 E227 N228 L229 V237 W334Y221-V225 HydrophobicContact CD2-CG2 3.88Å; Y221-V225 HydrophobicContact CE2-CG2 3.37Å; Y221-V225 WeakPolarHBondContact O-CG2 3.48Å; Y221-V225 PolarHBondContact O-N 3.16Å; V222-V225 PolarHBondContact O-N 3.36Å; V225-E227 VanDerWaalsContact C-N 3.34Å; V225-E227 PolarHBondContact O-N 3.29Å; V225-N228 PolarHBondContact O-N 2.65Å; V225-L229 HydrophobicContact CG1-CD1 3.8Å; V225-L229 HydrophobicContact CG1-CG 4.28Å; V225-L229 WeakPolarHBondContact O-CB 3.32Å; V225-L229 VanDerWaalsContact O-CG 3.27Å; V225-L229 WeakPolarHBondContact O-CG 3.45Å; V225-L229 PolarHBondContact O-N 3.29Å; V225-V237 HydrophobicContact CG1-CG1 4.13Å; V225-V237 HydrophobicContact CG2-CG1 4.4Å; V225-W334 HydrophobicContact CB-CH2 4.46Å; V225-W334 HydrophobicContact CG1-CH2 3.44Å; V225-W334 VanDerWaalsContact CG1-CH2 3.44Å; V225-W334 HydrophobicContact CG1-CZ2 3.68Å; V225-W334 HydrophobicContact CG2-CH2 4.13Å
226L87.4Confident86.5Confident40 Ų4056.6 Ų56.621%0.20934%0.337CS..Hα-helixtrans-64.5-37.1-179.2-73.3174.7000112.2V222 S223 R230 P332V222-L226 HydrophobicContact CG1-CD1 3.8Å; V222-L226 HydrophobicContact CG1-CG 4.19Å; V222-L226 WeakPolarHBondContact O-CB 3.29Å; V222-L226 VanDerWaalsContact O-CG 3.29Å; V222-L226 WeakPolarHBondContact O-CG 3.45Å; V222-L226 PolarHBondContact O-N 2.89Å; S223-L226 PolarHBondContact O-N 2.91Å; L226-R230 VanDerWaalsContact O-CG 3.27Å; L226-R230 WeakPolarHBondContact O-CG 3.24Å; L226-R230 PolarHBondContact O-N 3.33Å; L226-R230 VanDerWaalsContact O-N 3.14Å; L226-P332 HydrophobicContact CD2-CG 4.2Å
227E88.7Confident86.6Confident131 Ų13154.1 Ų54.161%0.61232%0.324SS*.Hα-helixtrans-65.6-47174-76.1178.6179.400111.9S223 V225 L229 R230 S231S223-E227 WeakPolarHBondContact O-CG 3.45Å; S223-E227 PolarHBondContact O-N 3.09Å; V225-E227 VanDerWaalsContact C-N 3.34Å; V225-E227 PolarHBondContact O-N 3.29Å; E227-L229 VanDerWaalsContact C-N 3.33Å; E227-L229 PolarHBondContact O-N 3.08Å; E227-R230 WeakPolarHBondContact O-CB 3.26Å; E227-R230 PolarHBondContact O-N 2.97Å; E227-S231 PolarHBondContact O-N 3.33Å
228N87.9Confident86.5Confident43 Ų4356.5 Ų56.523%0.2334%0.339CS..Hα-helixtrans-67.7-31.5178.8-74.7-46000113.1G224 V225 S231 G232 N233 A236 V237G224-N228 WeakPolarHBondContact O-CB 3.5Å; G224-N228 PolarHBondContact O-N 2.86Å; G224-N228 PolarHBondContact O-ND2 3.41Å; V225-N228 PolarHBondContact O-N 2.65Å; N228-S231 WeakPolarHBondContact CA-OG 3.11Å; N228-S231 PolarHBondContact O-N 2.95Å; N228-S231 PolarHBondContact O-OG 3.44Å; N228-S231 VanDerWaalsContact O-OG 3.08Å; N228-G232 PolarHBondContact O-N 3.32Å; N228-G232 VanDerWaalsContact O-N 3.12Å; N228-N233 PolarHBondContact O-N 3.09Å; N228-A236 HydrophobicContact CB-CB 4.47Å; N228-V237 HydrophobicContact CB-CG2 3.59Å
229L85.1Confident86.4Confident83 Ų8363 Ų6344%0.43537%0.369SS..Hα-helixtrans-66.2-40171.6-76.2172.7000111.5V225 E227 S231 G232 V237 P332 W334V225-L229 HydrophobicContact CG1-CD1 3.8Å; V225-L229 HydrophobicContact CG1-CG 4.28Å; V225-L229 WeakPolarHBondContact O-CB 3.32Å; V225-L229 VanDerWaalsContact O-CG 3.27Å; V225-L229 WeakPolarHBondContact O-CG 3.45Å; V225-L229 PolarHBondContact O-N 3.29Å; E227-L229 VanDerWaalsContact C-N 3.33Å; E227-L229 PolarHBondContact O-N 3.08Å; L229-S231 VanDerWaalsContact C-N 3.31Å; L229-S231 PolarHBondContact O-N 3.17Å; L229-G232 PolarHBondContact O-N 2.6Å; L229-V237 HydrophobicContact CD2-CG2 4.13Å; L229-V237 HydrophobicContact CG-CG2 4.1Å; L229-P332 HydrophobicContact CD1-CG 3.87Å; L229-W334 HydrophobicContact CD1-CZ2 4.37Å
230R86.2Confident86.2Confident214 Ų21463.6 Ų63.681%0.80838%0.376SS*.Hα-helixtrans-66.5-32.2175.9-72.3171-172.7-175.63112.6L226 E227L226-R230 VanDerWaalsContact O-CG 3.27Å; L226-R230 WeakPolarHBondContact O-CG 3.24Å; L226-R230 PolarHBondContact O-N 3.33Å; L226-R230 VanDerWaalsContact O-N 3.14Å; E227-R230 WeakPolarHBondContact O-CB 3.26Å; E227-R230 PolarHBondContact O-N 2.97Å
231S86.5Confident86.2Confident70 Ų7062 Ų6249%0.4936%0.363SS..THydrogen-bonded Turntrans-84.7-6.2176.271.30000114E227 N228 L229 N233E227-S231 PolarHBondContact O-N 3.33Å; N228-S231 WeakPolarHBondContact CA-OG 3.11Å; N228-S231 PolarHBondContact O-N 2.95Å; N228-S231 PolarHBondContact O-OG 3.44Å; N228-S231 VanDerWaalsContact O-OG 3.08Å; L229-S231 VanDerWaalsContact C-N 3.31Å; L229-S231 PolarHBondContact O-N 3.17Å; S231-N233 PolarHBondContact OG-ND2 3.19Å; S231-N233 VanDerWaalsContact OG-ND2 3.08Å
232G81.9Confident85.9Confident63 Ų6367 Ų6765%0.64939%0.387SS*.THydrogen-bonded Turntrans77.114-178.900000115.1N228 L229 S234N228-G232 PolarHBondContact O-N 3.32Å; N228-G232 VanDerWaalsContact O-N 3.12Å; L229-G232 PolarHBondContact O-N 2.6Å; G232-S234 PolarHBondContact O-N 3.22Å; G232-S234 VanDerWaalsContact O-N 3.08Å
233N86.1Confident85.7Confident86 Ų8671.8 Ų71.846%0.4641%0.409SS..  trans-85.972.2-175.7-71.9-24.4000112.3N228 S231 A235 A236 V237N228-N233 PolarHBondContact O-N 3.09Å; S231-N233 PolarHBondContact OG-ND2 3.19Å; S231-N233 VanDerWaalsContact OG-ND2 3.08Å; N233-A235 VanDerWaalsContact C-N 3.29Å; N233-A235 PolarHBondContact O-N 3.33Å; N233-A236 HydrophobicContact CB-CB 4Å; N233-A236 PolarHBondContact O-N 2.64Å; N233-A236 VanDerWaalsContact O-N 3.13Å; N233-V237 PolarHBondContact O-N 3.28Å
234S82Confident85.6Confident89 Ų8970 Ų7062%0.62240%0.396SS*.Hα-helixtrans-56.8-37.3-176.9-170.20000114G232 A236 V237 T238G232-S234 PolarHBondContact O-N 3.22Å; G232-S234 VanDerWaalsContact O-N 3.08Å; S234-A236 VanDerWaalsContact C-N 3.35Å; S234-A236 PolarHBondContact O-N 3.46Å; S234-V237 WeakPolarHBondContact O-CB 3.44Å; S234-V237 PolarHBondContact O-N 3.43Å; S234-T238 PolarHBondContact O-N 3.2Å; S234-T238 VanDerWaalsContact O-N 3.16Å; S234-T238 PolarHBondContact O-OG1 2.91Å
235A84.3Confident85.5Confident81 Ų8172.2 Ų72.267%0.66940%0.401SS*.Hα-helixtrans-64.8-38.4179.400000112.5N233 V237 T238 Q239N233-A235 VanDerWaalsContact C-N 3.29Å; N233-A235 PolarHBondContact O-N 3.33Å; A235-V237 VanDerWaalsContact C-N 3.32Å; A235-V237 PolarHBondContact O-N 3.46Å; A235-T238 PolarHBondContact O-N 2.9Å; A235-Q239 WeakPolarHBondContact O-CB 3.2Å; A235-Q239 PolarHBondContact O-N 3.29Å
236A84.4Confident84.9Confident31 Ų3180.1 Ų80.126%0.25644%0.435SS..Hα-helixtrans-67.8-34.2177.500000111.7N228 N233 S234 A240N228-A236 HydrophobicContact CB-CB 4.47Å; N233-A236 HydrophobicContact CB-CB 4Å; N233-A236 PolarHBondContact O-N 2.64Å; N233-A236 VanDerWaalsContact O-N 3.13Å; S234-A236 VanDerWaalsContact C-N 3.35Å; S234-A236 PolarHBondContact O-N 3.46Å; A236-A240 VanDerWaalsContact O-CB 3.25Å; A236-A240 WeakPolarHBondContact O-CB 3.45Å; A236-A240 PolarHBondContact O-N 2.98Å
237V85.5Confident84.3Confident9 Ų982.6 Ų82.66%0.05545%0.446CS..Hα-helixtrans-63.6-48174.4177.80000110.9V225 N228 L229 N233 S234 A235 A240 H241 W334V225-V237 HydrophobicContact CG1-CG1 4.13Å; V225-V237 HydrophobicContact CG2-CG1 4.4Å; N228-V237 HydrophobicContact CB-CG2 3.59Å; L229-V237 HydrophobicContact CD2-CG2 4.13Å; L229-V237 HydrophobicContact CG-CG2 4.1Å; N233-V237 PolarHBondContact O-N 3.28Å; S234-V237 WeakPolarHBondContact O-CB 3.44Å; S234-V237 PolarHBondContact O-N 3.43Å; A235-V237 VanDerWaalsContact C-N 3.32Å; A235-V237 PolarHBondContact O-N 3.46Å; V237-A240 PolarHBondContact O-N 3.45Å; V237-H241 WeakPolarHBondContact O-CB 3.45Å; V237-H241 PolarHBondContact O-N 2.98Å; V237-W334 HydrophobicContact CG1-CH2 3.4Å; V237-W334 VanDerWaalsContact CG1-CH2 3.4Å; V237-W334 HydrophobicContact CG1-CZ2 3.83Å; V237-W334 HydrophobicContact CG1-CZ3 4.37Å
238T83.6Confident83.9Confident71 Ų7179.5 Ų79.544%0.43643%0.431SS..Hα-helixtrans-62-45.7178.5-50.10000111.4S234 A235 A240 H241 E242S234-T238 PolarHBondContact O-N 3.2Å; S234-T238 VanDerWaalsContact O-N 3.16Å; S234-T238 PolarHBondContact O-OG1 2.91Å; A235-T238 PolarHBondContact O-N 2.9Å; T238-A240 PolarHBondContact O-N 3.49Å; T238-H241 WeakPolarHBondContact O-CB 3.2Å; T238-H241 PolarHBondContact O-N 3.43Å; T238-E242 PolarHBondContact O-N 3.43Å
239Q86.3Confident83.7Confident135 Ų13577.5 Ų77.563%0.63142%0.42SS*.Hα-helixtrans-62-44.7177.9-173.1179.84.700112A235 H241 E242 Q243A235-Q239 WeakPolarHBondContact O-CB 3.2Å; A235-Q239 PolarHBondContact O-N 3.29Å; Q239-H241 VanDerWaalsContact C-N 3.29Å; Q239-H241 PolarHBondContact O-N 2.83Å; Q239-E242 PolarHBondContact O-N 3.32Å; Q239-Q243 VanDerWaalsContact O-CB 3.29Å; Q239-Q243 WeakPolarHBondContact O-CB 3.44Å; Q239-Q243 PolarHBondContact O-N 3.25Å
240A83.8Confident83.5Confident28 Ų2876 Ų7623%0.23141%0.414CS..Hα-helixtrans-63.1-36.6176.800000112A236 V237 T238 Y244A236-A240 VanDerWaalsContact O-CB 3.25Å; A236-A240 WeakPolarHBondContact O-CB 3.45Å; A236-A240 PolarHBondContact O-N 2.98Å; V237-A240 PolarHBondContact O-N 3.45Å; T238-A240 PolarHBondContact O-N 3.49Å; A240-Y244 VanDerWaalsContact O-CB 3.31Å; A240-Y244 WeakPolarHBondContact O-CB 3.38Å; A240-Y244 PolarHBondContact O-N 3.34Å
241H86.7Confident83Confident39 Ų3965.9 Ų65.918%0.18138%0.376CS..Hα-helixtrans-66.6-49.5176.1-175.874.4000112.5Y221 V237 T238 Q239 Q243 Y244 L245 W334Y221-H241 HydrophobicContact CE2-CB 4.27Å; Y221-H241 AromaticContact CZ-ND1 3.68Å; Y221-H241 PolarHBondContact OH-ND1 3.26Å; V237-H241 WeakPolarHBondContact O-CB 3.45Å; V237-H241 PolarHBondContact O-N 2.98Å; T238-H241 WeakPolarHBondContact O-CB 3.2Å; T238-H241 PolarHBondContact O-N 3.43Å; Q239-H241 VanDerWaalsContact C-N 3.29Å; Q239-H241 PolarHBondContact O-N 2.83Å; H241-Q243 VanDerWaalsContact C-N 3.3Å; H241-Q243 PolarHBondContact O-N 2.78Å; H241-Y244 PolarHBondContact O-N 3.14Å; H241-L245 WeakPolarHBondContact O-CB 3.3Å; H241-L245 PolarHBondContact O-N 3.22Å; H241-W334 HydrophobicContact CB-CZ3 4.38Å; H241-W334 AromaticContact ND1-CZ3 3.75Å
242E84.3Confident82.9Confident122 Ų12262.6 Ų62.657%0.5735%0.353SS*.Hα-helixtrans-60.6-41.4177.2-74179.9-175.100111.6T238 Q239 L245 K246T238-E242 PolarHBondContact O-N 3.43Å; Q239-E242 PolarHBondContact O-N 3.32Å; E242-L245 PolarHBondContact O-N 2.68Å; E242-K246 VanDerWaalsContact O-CB 3.31Å; E242-K246 WeakPolarHBondContact O-CB 3.28Å; E242-K246 PolarHBondContact O-N 3.16Å
243Q84.5Confident83.1Confident101 Ų10159.8 Ų59.847%0.47232%0.324SS..Hα-helixtrans-63.2-48.7176.5-171-179.90.200111.4Q239 H241 L245 K246 E247Q239-Q243 VanDerWaalsContact O-CB 3.29Å; Q239-Q243 WeakPolarHBondContact O-CB 3.44Å; Q239-Q243 PolarHBondContact O-N 3.25Å; H241-Q243 VanDerWaalsContact C-N 3.3Å; H241-Q243 PolarHBondContact O-N 2.78Å; Q243-L245 VanDerWaalsContact C-N 3.32Å; Q243-L245 PolarHBondContact O-N 3.35Å; Q243-K246 PolarHBondContact O-N 2.91Å; Q243-E247 VanDerWaalsContact CG-CD 3.43Å; Q243-E247 HydrophobicContact CG-CG 4.23Å; Q243-E247 WeakPolarHBondContact CG-OE2 3.42Å; Q243-E247 PolarHBondContact NE2-OE2 3.16Å; Q243-E247 WeakPolarHBondContact O-CB 3.26Å; Q243-E247 PolarHBondContact O-N 2.98Å
244Y86.3Confident82.7Confident10 Ų1057.1 Ų57.14%0.03931%0.311CS..Hα-helixtrans-59.5-43.2177.2174.5-107.2000112D217 F218 Y221 A240 H241 K248 L249D217-Y244 HydrophobicContact CB-CE2 4.4Å; F218-Y244 HydrophobicContact CD2-CE1 4.25Å; F218-Y244 AromaticContact CD2-CZ 3.99Å; F218-Y244 WeakPolarHBondContact CD2-OH 2.94Å; Y221-Y244 AromaticContact CD1-CD1 3.81Å; Y221-Y244 HydrophobicContact CD1-CD1 3.81Å; Y221-Y244 HydrophobicContact CD1-CD2 4.38Å; Y221-Y244 AromaticContact CD1-CE1 3.95Å; Y221-Y244 HydrophobicContact CD1-CE1 3.95Å; Y221-Y244 HydrophobicContact CD1-CG 4.04Å; Y221-Y244 HydrophobicContact CD2-CD1 4.16Å; Y221-Y244 HydrophobicContact CD2-CD2 4.41Å; Y221-Y244 AromaticContact CD2-CG 3.81Å; Y221-Y244 HydrophobicContact CD2-CG 3.81Å; Y221-Y244 AromaticContact CE1-CD1 3.98Å; Y221-Y244 HydrophobicContact CE1-CD1 3.98Å; Y221-Y244 HydrophobicContact CE1-CE1 4.22Å; Y221-Y244 HydrophobicContact CE2-CD1 4.32Å; Y221-Y244 HydrophobicContact CE2-CG 4.34Å; Y221-Y244 AromaticContact CG-CD1 3.91Å; Y221-Y244 HydrophobicContact CG-CD1 3.91Å; Y221-Y244 AromaticContact CG-CD2 3.92Å; Y221-Y244 HydrophobicContact CG-CD2 3.92Å; Y221-Y244 HydrophobicContact CG-CE1 4.4Å; Y221-Y244 HydrophobicContact CG-CE2 4.43Å; Y221-Y244 AromaticContact CG-CG 3.66Å; Y221-Y244 HydrophobicContact CG-CG 3.66Å; A240-Y244 VanDerWaalsContact O-CB 3.31Å; A240-Y244 WeakPolarHBondContact O-CB 3.38Å; A240-Y244 PolarHBondContact O-N 3.34Å; H241-Y244 PolarHBondContact O-N 3.14Å; Y244-K248 HydrophobicContact CD2-CB 4.09Å; Y244-K248 HydrophobicContact CD2-CD 4.21Å; Y244-K248 HydrophobicContact CE2-CB 4.21Å; Y244-K248 PolarHBondContact O-N 3.23Å; Y244-L249 HydrophobicContact CD1-CB 4.28Å; Y244-L249 HydrophobicContact CE1-CB 3.85Å; Y244-L249 HydrophobicContact CE1-CD1 4.36Å; Y244-L249 HydrophobicContact CE1-CD2 4.02Å; Y244-L249 HydrophobicContact CE1-CG 4.31Å; Y244-L249 PolarHBondContact O-N 3.41Å
245L84.8Confident82.4Confident70 Ų7053 Ų5337%0.36628%0.283SS..Iπ-helixtrans-60.7-51.4177.8-179.363.4000111H241 E242 Q243 L249 T250H241-L245 WeakPolarHBondContact O-CB 3.3Å; H241-L245 PolarHBondContact O-N 3.22Å; E242-L245 PolarHBondContact O-N 2.68Å; Q243-L245 VanDerWaalsContact C-N 3.32Å; Q243-L245 PolarHBondContact O-N 3.35Å; L245-L249 HydrophobicContact CD1-CD2 3.91Å; L245-T250 HydrophobicContact CD1-CG2 4.46Å; L245-T250 WeakPolarHBondContact O-CG2 3.45Å; L245-T250 PolarHBondContact O-N 3.44Å; L245-T250 PolarHBondContact O-OG1 3.09Å
246K77Confident82.2Confident166 Ų16649.3 Ų49.372%0.72225%0.251SS*.Iπ-helixtrans-73.3-43.4-172-173.5-179.9178.7-176.70113.5E242 Q243 T250E242-K246 VanDerWaalsContact O-CB 3.31Å; E242-K246 WeakPolarHBondContact O-CB 3.28Å; E242-K246 PolarHBondContact O-N 3.16Å; Q243-K246 PolarHBondContact O-N 2.91Å; K246-T250 PolarHBondContact O-OG1 2.84Å; K246-T250 VanDerWaalsContact O-OG1 3.08Å
247E74.1Confident82.1Confident93 Ų9347.8 Ų47.844%0.43524%0.239SC..Iπ-helixtrans-92.5-28.1-168.6-64179.1175.500113.4N185 Q243N185-E247 PolarHBondContact ND2-O 2.94Å; Q243-E247 VanDerWaalsContact CG-CD 3.43Å; Q243-E247 HydrophobicContact CG-CG 4.23Å; Q243-E247 WeakPolarHBondContact CG-OE2 3.42Å; Q243-E247 PolarHBondContact NE2-OE2 3.16Å; Q243-E247 WeakPolarHBondContact O-CB 3.26Å; Q243-E247 PolarHBondContact O-N 2.98Å
248K79.8Confident81.6Confident66 Ų6648 Ų4829%0.28724%0.24SC..Iπ-helixtrans-123.2-57.7-168-59.5-171.7173.2-164.70113D217 Y244 A251 I252D217-K248 HydrophobicContact CB-CD 3.97Å; D217-K248 IonicContact OD1-NZ 3.43Å; D217-K248 PolarHBondContact OD1-NZ 3.24Å; Y244-K248 HydrophobicContact CD2-CB 4.09Å; Y244-K248 HydrophobicContact CD2-CD 4.21Å; Y244-K248 HydrophobicContact CE2-CB 4.21Å; Y244-K248 PolarHBondContact O-N 3.23Å; K248-A251 PolarHBondContact O-N 3.37Å; K248-I252 WeakPolarHBondContact O-CG1 3.47Å; K248-I252 PolarHBondContact O-N 3.38Å
249L84.9Confident81.2Confident1 Ų144.9 Ų44.91%0.00522%0.221CC..Iπ-helixtrans-64.7-48.9-170.6179.962.8000112.1Y244 L245 A251 I252 S253 R296 L297 A300Y244-L249 HydrophobicContact CD1-CB 4.28Å; Y244-L249 HydrophobicContact CE1-CB 3.85Å; Y244-L249 HydrophobicContact CE1-CD1 4.36Å; Y244-L249 HydrophobicContact CE1-CD2 4.02Å; Y244-L249 HydrophobicContact CE1-CG 4.31Å; Y244-L249 PolarHBondContact O-N 3.41Å; L245-L249 HydrophobicContact CD1-CD2 3.91Å; L249-A251 VanDerWaalsContact C-N 3.26Å; L249-A251 PolarHBondContact O-N 3.12Å; L249-I252 PolarHBondContact O-N 3.32Å; L249-S253 VanDerWaalsContact O-CB 3.3Å; L249-S253 WeakPolarHBondContact O-CB 3.39Å; L249-S253 PolarHBondContact O-N 3.23Å; L249-S253 PolarHBondContact O-OG 3.05Å; L249-R296 HydrophobicContact CD1-CG 4.11Å; L249-R296 HydrophobicContact CD2-CG 3.84Å; L249-L297 HydrophobicContact CD1-CD2 4.11Å; L249-A300 HydrophobicContact CD1-CB 4.45Å; L249-A300 HydrophobicContact CD2-CB 4.19Å; L249-A300 HydrophobicContact CG-CB 4.29Å
250T81.1Confident81Confident52 Ų5238.4 Ų38.432%0.31919%0.191SC..Hα-helixtrans-54.7-42-179.947.10000112.3L245 K246 S253 S254L245-T250 HydrophobicContact CD1-CG2 4.46Å; L245-T250 WeakPolarHBondContact O-CG2 3.45Å; L245-T250 PolarHBondContact O-N 3.44Å; L245-T250 PolarHBondContact O-OG1 3.09Å; K246-T250 PolarHBondContact O-OG1 2.84Å; K246-T250 VanDerWaalsContact O-OG1 3.08Å; T250-S253 PolarHBondContact O-OG 3.37Å; T250-S254 WeakPolarHBondContact O-CB 3.38Å; T250-S254 PolarHBondContact O-N 2.9Å; T250-S254 VanDerWaalsContact O-N 3.09Å; T250-S254 PolarHBondContact O-OG 3.24Å
251A76Confident80.7Confident0 Ų043.9 Ų43.90%021%0.205CC..Hα-helixtrans-63.4-54.3177.200000111.6L181 W184 K248 L249 S254 M255L181-A251 HydrophobicContact CD2-CB 3.65Å; W184-A251 HydrophobicContact CB-CB 4.15Å; W184-A251 HydrophobicContact CG-CB 3.71Å; K248-A251 PolarHBondContact O-N 3.37Å; L249-A251 VanDerWaalsContact C-N 3.26Å; L249-A251 PolarHBondContact O-N 3.12Å; A251-S254 PolarHBondContact O-N 2.95Å; A251-M255 VanDerWaalsContact O-CG 3.29Å; A251-M255 WeakPolarHBondContact O-CG 3.46Å; A251-M255 PolarHBondContact O-N 3.39Å
252I82.6Confident80Confident1 Ų145.1 Ų45.11%0.00521%0.211CC..Hα-helixtrans-64.9-45.4-176.9-63.8177.8000111.4L181 L210 G214 K248 L249 S254 M255 L256 L297L181-I252 HydrophobicContact CD2-CD1 4.38Å; L181-I252 HydrophobicContact CD2-CG1 3.75Å; L210-I252 HydrophobicContact CD1-CG1 4.22Å; L210-I252 HydrophobicContact CG-CG2 4.39Å; G214-I252 VanDerWaalsContact CA-CD1 3.45Å; K248-I252 WeakPolarHBondContact O-CG1 3.47Å; K248-I252 PolarHBondContact O-N 3.38Å; L249-I252 PolarHBondContact O-N 3.32Å; I252-S254 VanDerWaalsContact C-N 3.29Å; I252-S254 PolarHBondContact O-N 2.7Å; I252-M255 PolarHBondContact O-N 3.32Å; I252-L256 HydrophobicContact CG2-CD1 3.77Å; I252-L256 HydrophobicContact CG2-CG 4.35Å; I252-L256 WeakPolarHBondContact O-CB 3.37Å; I252-L256 WeakPolarHBondContact O-CG 3.46Å; I252-L256 PolarHBondContact O-N 3.33Å; I252-L297 HydrophobicContact CG2-CD2 4.24Å
253S86.1Confident79.2Confident5 Ų545 Ų454%0.03521%0.21CC..Hα-helixtrans-65.4-33.2-179.966.90000112.1L249 T250 G257 N301 I304L249-S253 VanDerWaalsContact O-CB 3.3Å; L249-S253 WeakPolarHBondContact O-CB 3.39Å; L249-S253 PolarHBondContact O-N 3.23Å; L249-S253 PolarHBondContact O-OG 3.05Å; T250-S253 PolarHBondContact O-OG 3.37Å; S253-G257 WeakPolarHBondContact O-CA 3.48Å; S253-G257 PolarHBondContact O-N 3.43Å; S253-N301 PolarHBondContact O-ND2 2.86Å; S253-I304 WeakPolarHBondContact O-CD1 3.24Å
254S78.5Confident78.3Confident29 Ų2941.4 Ų41.420%0.20320%0.197CC..Hα-helixtrans-74.9-43.6177.4-56.70000111.6W184 T250 A251 I252 G257 M258W184-S254 WeakPolarHBondContact CZ2-OG 3.24Å; T250-S254 WeakPolarHBondContact O-CB 3.38Å; T250-S254 PolarHBondContact O-N 2.9Å; T250-S254 VanDerWaalsContact O-N 3.09Å; T250-S254 PolarHBondContact O-OG 3.24Å; A251-S254 PolarHBondContact O-N 2.95Å; I252-S254 VanDerWaalsContact C-N 3.29Å; I252-S254 PolarHBondContact O-N 2.7Å; S254-G257 PolarHBondContact O-N 3.09Å; S254-M258 WeakPolarHBondContact O-CB 3.3Å; S254-M258 PolarHBondContact O-N 3.29Å
255M75.2Confident77.7Confident4 Ų444.3 Ų44.32%0.0222%0.218CC..Hα-helixtrans-61.2-47.3175.6-71.1171.173.200112L180 W184 M195 L210 A251 I252 M258 A259L180-M255 HydrophobicContact CB-CE 3.76Å; L180-M255 HydrophobicContact CD1-CE 4.19Å; L180-M255 HydrophobicContact CG-CE 4.41Å; W184-M255 HydrophobicContact CB-SD 4.37Å; W184-M255 HydrophobicContact CD2-CG 4.35Å; W184-M255 HydrophobicContact CE3-CG 3.89Å; M195-M255 HydrophobicContact CE-CB 4.41Å; M195-M255 HydrophobicContact CE-CE 3.24Å; M195-M255 HydrophobicContact CE-CG 4.13Å; M195-M255 HydrophobicContact CE-SD 4.48Å; M195-M255 HydrophobicContact SD-CE 3.74Å; M195-M255 HydrophobicContact SD-CG 4.35Å; L210-M255 HydrophobicContact CD1-CE 4.09Å; L210-M255 HydrophobicContact CD1-SD 4.29Å; L210-M255 HydrophobicContact CD2-CB 3.75Å; L210-M255 HydrophobicContact CD2-CE 3.87Å; L210-M255 HydrophobicContact CD2-SD 4.31Å; A251-M255 VanDerWaalsContact O-CG 3.29Å; A251-M255 WeakPolarHBondContact O-CG 3.46Å; A251-M255 PolarHBondContact O-N 3.39Å; I252-M255 PolarHBondContact O-N 3.32Å; M255-M258 PolarHBondContact O-N 2.98Å; M255-A259 PolarHBondContact O-N 2.89Å
256L81.2Confident77.2Confident2 Ų244.2 Ų44.21%0.0122%0.216CC..Hα-helixtrans-68.9-37.4176.1-69.5175.8000111.7L207 L210 L211 I252 M258 A259 A260 F267 L297 I304L207-L256 HydrophobicContact CD2-CD2 4.13Å; L210-L256 HydrophobicContact CD2-CD2 3.77Å; L210-L256 HydrophobicContact CD2-CG 3.85Å; L210-L256 HydrophobicContact CG-CD2 4.29Å; L210-L256 HydrophobicContact CG-CG 4.37Å; L211-L256 HydrophobicContact CD1-CD1 4.17Å; I252-L256 HydrophobicContact CG2-CD1 3.77Å; I252-L256 HydrophobicContact CG2-CG 4.35Å; I252-L256 WeakPolarHBondContact O-CB 3.37Å; I252-L256 WeakPolarHBondContact O-CG 3.46Å; I252-L256 PolarHBondContact O-N 3.33Å; L256-M258 VanDerWaalsContact C-N 3.3Å; L256-M258 PolarHBondContact O-N 3.34Å; L256-A259 WeakPolarHBondContact O-CB 2.95Å; L256-A259 PolarHBondContact O-N 3.45Å; L256-A260 WeakPolarHBondContact O-CB 3.4Å; L256-A260 PolarHBondContact O-N 3.32Å; L256-F267 HydrophobicContact CB-CE2 4.39Å; L256-F267 HydrophobicContact CD2-CE2 4.24Å; L256-L297 HydrophobicContact CD1-CD1 3.81Å; L256-L297 HydrophobicContact CD1-CD2 4.22Å; L256-I304 HydrophobicContact CB-CD1 3.64Å; L256-I304 HydrophobicContact CB-CG1 4.36Å
257G81.6Confident77.2Confident0 Ų036.5 Ų36.50%018%0.182CC..Hα-helixtrans-61.3-39175.100000112.5S253 S254 A260 R261 N301 D303 I304S253-G257 WeakPolarHBondContact O-CA 3.48Å; S253-G257 PolarHBondContact O-N 3.43Å; S254-G257 PolarHBondContact O-N 3.09Å; G257-A260 WeakPolarHBondContact O-CB 3.25Å; G257-A260 PolarHBondContact O-N 2.97Å; G257-R261 WeakPolarHBondContact O-CB 3.28Å; G257-R261 PolarHBondContact O-N 3.02Å; G257-N301 WeakPolarHBondContact CA-OD1 3.44Å; G257-D303 VanDerWaalsContact O-CB 3.29Å; G257-D303 WeakPolarHBondContact O-CB 3.24Å; G257-I304 VanDerWaalsContact CA-CG1 3.46Å
258M74.7Confident77.5Confident14 Ų1436.9 Ų36.97%0.06918%0.18CC..Hα-helixtrans-65.2-40174.3-168-155.160.200112D192 M195 S254 M255 L256 Q262D192-M258 HydrophobicContact CB-SD 4.09Å; M195-M258 HydrophobicContact CB-CE 3.25Å; M195-M258 HydrophobicContact CB-SD 3.67Å; M195-M258 HydrophobicContact CG-CE 4.46Å; S254-M258 WeakPolarHBondContact O-CB 3.3Å; S254-M258 PolarHBondContact O-N 3.29Å; M255-M258 PolarHBondContact O-N 2.98Å; L256-M258 VanDerWaalsContact C-N 3.3Å; L256-M258 PolarHBondContact O-N 3.34Å; M258-Q262 VanDerWaalsContact O-CG 3.31Å; M258-Q262 WeakPolarHBondContact O-CG 3.44Å; M258-Q262 PolarHBondContact O-N 3.21Å; M258-Q262 PolarHBondContact O-NE2 3.44Å
259A76.2Confident77.6Confident4 Ų439.9 Ų39.93%0.03320%0.195CC..Hα-helixtrans-63.3-41.8172.800000111.8L207 M255 L256 Q262 F267L207-A259 HydrophobicContact CD1-CB 4.24Å; L207-A259 HydrophobicContact CD2-CB 3.68Å; M255-A259 PolarHBondContact O-N 2.89Å; L256-A259 WeakPolarHBondContact O-CB 2.95Å; L256-A259 PolarHBondContact O-N 3.45Å; A259-Q262 PolarHBondContact O-N 2.8Å; A259-F267 HydrophobicContact CB-CD2 4.11Å
260A81.7Confident77.4Confident0 Ų040.3 Ų40.30%020%0.197CC..Hα-helixtrans-64.1-44.2176.600000112.4L256 G257 Q262 Q263 F267 D303 I304 V307L256-A260 WeakPolarHBondContact O-CB 3.4Å; L256-A260 PolarHBondContact O-N 3.32Å; G257-A260 WeakPolarHBondContact O-CB 3.25Å; G257-A260 PolarHBondContact O-N 2.97Å; A260-Q262 PolarHBondContact O-N 3.42Å; A260-Q263 WeakPolarHBondContact O-CA 3.3Å; A260-Q263 PolarHBondContact O-N 2.93Å; A260-F267 HydrophobicContact CB-CD1 3.9Å; A260-F267 HydrophobicContact CB-CE1 3.5Å; A260-F267 VanDerWaalsContact CB-CE1 3.5Å; A260-F267 HydrophobicContact CB-CZ 3.84Å; A260-D303 HydrophobicContact CB-CB 4.29Å; A260-D303 WeakPolarHBondContact CB-O 3.45Å; A260-I304 HydrophobicContact CB-CG1 4.34Å; A260-V307 HydrophobicContact CB-CB 4.4Å; A260-V307 HydrophobicContact CB-CG2 4Å; A260-V307 WeakPolarHBondContact O-CG2 3.39Å
261R77.8Confident77.5Confident143 Ų14338.7 Ų38.754%0.5419%0.186SC..Hα-helixtrans-58.6-36.6178.5-170.7-176.7-64.8164.93.4112.3G257 Q263 D303G257-R261 WeakPolarHBondContact O-CB 3.28Å; G257-R261 PolarHBondContact O-N 3.02Å; R261-Q263 PolarHBondContact O-N 2.89Å; R261-D303 HydrophobicContact CB-CB 4.01Å; R261-D303 WeakPolarHBondContact CG-OD1 3.35Å; R261-D303 IonicContact CZ-OD2 3.73Å; R261-D303 VanDerWaalsContact NE-CG 3.35Å; R261-D303 IonicContact NE-OD1 3.28Å; R261-D303 PolarHBondContact NE-OD1 3.42Å; R261-D303 IonicContact NE-OD2 3.54Å; R261-D303 PolarHBondContact NE-OD2 3.42Å; R261-D303 IonicContact NH2-OD2 2.78Å; R261-D303 PolarHBondContact NH2-OD2 3.44Å
262Q71.8Confident77.7Confident64 Ų6441.1 Ų41.130%0.29920%0.203SC..THydrogen-bonded Turntrans-72.8-5.6177-66.6170.833.700113M258 A259 A260 S264M258-Q262 VanDerWaalsContact O-CG 3.31Å; M258-Q262 WeakPolarHBondContact O-CG 3.44Å; M258-Q262 PolarHBondContact O-N 3.21Å; M258-Q262 PolarHBondContact O-NE2 3.44Å; A259-Q262 PolarHBondContact O-N 2.8Å; A260-Q262 PolarHBondContact O-N 3.42Å; Q262-S264 PolarHBondContact O-N 3.13Å; Q262-S264 VanDerWaalsContact O-N 3.14Å
263Q67.5Low77.6Confident120 Ų12043.5 Ų43.556%0.56122%0.22SC*.THydrogen-bonded Turntrans48.238.7-178-57.1-171.915.700112.5A260 R261 S265A260-Q263 WeakPolarHBondContact O-CA 3.3Å; A260-Q263 PolarHBondContact O-N 2.93Å; R261-Q263 PolarHBondContact O-N 2.89Å; Q263-S265 PolarHBondContact O-N 3.29Å
264S66.5Low77.3Confident26 Ų2643.7 Ų43.718%0.18222%0.221CC..  trans-58.6130.5179.273.60000108.6Q262 E266 F267 R268Q262-S264 PolarHBondContact O-N 3.13Å; Q262-S264 VanDerWaalsContact O-N 3.14Å; S264-E266 VanDerWaalsContact C-OE2 3.3Å; S264-E266 WeakPolarHBondContact CA-OE2 3.45Å; S264-E266 WeakPolarHBondContact CB-OE2 3.39Å; S264-E266 PolarHBondContact O-N 3.05Å; S264-E266 VanDerWaalsContact O-N 3.11Å; S264-F267 PolarHBondContact O-N 3.01Å; S264-F267 VanDerWaalsContact OG-CB 3.24Å; S264-F267 WeakPolarHBondContact OG-CB 3.44Å; S264-F267 PolarHBondContact OG-N 3.22Å; S264-F267 VanDerWaalsContact OG-N 3.11Å; S264-R268 PolarHBondContact O-N 2.82Å
265S72.7Confident77.3Confident70 Ų7043.6 Ų43.649%0.4922%0.217SC..Hα-helixtrans-53.7-30.817658.20000111.4Q263 R268 Q269Q263-S265 PolarHBondContact O-N 3.29Å; S265-R268 PolarHBondContact O-N 3.17Å; S265-Q269 WeakPolarHBondContact O-CB 3.3Å; S265-Q269 VanDerWaalsContact O-CG 3.29Å; S265-Q269 WeakPolarHBondContact O-CG 3.4Å; S265-Q269 PolarHBondContact O-N 2.94Å
266E73.7Confident77.4Confident69 Ų6947.1 Ų47.132%0.32224%0.239SC..Hα-helixtrans-64.2-46.2177.1-58.387.1160.500111.7S264 Q269 L270S264-E266 VanDerWaalsContact C-OE2 3.3Å; S264-E266 WeakPolarHBondContact CA-OE2 3.45Å; S264-E266 WeakPolarHBondContact CB-OE2 3.39Å; S264-E266 PolarHBondContact O-N 3.05Å; S264-E266 VanDerWaalsContact O-N 3.11Å; E266-Q269 PolarHBondContact O-N 3.44Å; E266-L270 WeakPolarHBondContact O-CB 3.4Å; E266-L270 PolarHBondContact O-N 3.23Å
267F78.6Confident77.2Confident4 Ų450.2 Ų50.22%0.01825%0.253CS..Hα-helixtrans-66.7-39.4177-176.6-96.1000111.1L207 L256 A259 A260 S264 L270 I271 I304 V307 T308L207-F267 HydrophobicContact CD1-CB 4.41Å; L207-F267 HydrophobicContact CD1-CD2 4.44Å; L256-F267 HydrophobicContact CB-CE2 4.39Å; L256-F267 HydrophobicContact CD2-CE2 4.24Å; A259-F267 HydrophobicContact CB-CD2 4.11Å; A260-F267 HydrophobicContact CB-CD1 3.9Å; A260-F267 HydrophobicContact CB-CE1 3.5Å; A260-F267 VanDerWaalsContact CB-CE1 3.5Å; A260-F267 HydrophobicContact CB-CZ 3.84Å; S264-F267 PolarHBondContact O-N 3.01Å; S264-F267 VanDerWaalsContact OG-CB 3.24Å; S264-F267 WeakPolarHBondContact OG-CB 3.44Å; S264-F267 PolarHBondContact OG-N 3.22Å; S264-F267 VanDerWaalsContact OG-N 3.11Å; F267-L270 WeakPolarHBondContact O-CB 3.2Å; F267-L270 PolarHBondContact O-N 3.06Å; F267-I271 HydrophobicContact CD1-CG1 4.04Å; F267-I271 HydrophobicContact CE1-CD1 4.2Å; F267-I271 HydrophobicContact CE1-CG1 3.6Å; F267-I271 HydrophobicContact CE2-CD1 4.31Å; F267-I271 HydrophobicContact CE2-CG1 4.33Å; F267-I271 HydrophobicContact CZ-CD1 3.85Å; F267-I271 HydrophobicContact CZ-CG1 3.77Å; F267-I271 WeakPolarHBondContact O-CG1 3.12Å; F267-I271 PolarHBondContact O-N 3.44Å; F267-I304 HydrophobicContact CZ-CG2 4.4Å; F267-V307 HydrophobicContact CD1-CB 4.37Å; F267-V307 HydrophobicContact CD1-CG1 3.84Å; F267-V307 HydrophobicContact CE1-CB 4.1Å; F267-V307 HydrophobicContact CE1-CG1 3.96Å; F267-T308 HydrophobicContact CE1-CG2 4.49Å
268R80.2Confident76.9Confident100 Ų10051 Ų5138%0.37726%0.259SS..Hα-helixtrans-63.6-45.1175.2-67.6-171.8-174.81764.5112.1S264 S265 L270 I271 S272 V307S264-R268 PolarHBondContact O-N 2.82Å; S265-R268 PolarHBondContact O-N 3.17Å; R268-L270 VanDerWaalsContact C-N 3.31Å; R268-L270 PolarHBondContact O-N 3.05Å; R268-I271 PolarHBondContact O-N 2.88Å; R268-S272 WeakPolarHBondContact O-CB 3.25Å; R268-S272 PolarHBondContact O-N 2.87Å; R268-V307 HydrophobicContact CG-CG1 3.77Å
269Q80.8Confident76.7Confident130 Ų13052 Ų5261%0.60727%0.266SS*.Hα-helixtrans-61.4-40.1175.2-74.9176.69.100111.9S265 E266 S272 S273S265-Q269 WeakPolarHBondContact O-CB 3.3Å; S265-Q269 VanDerWaalsContact O-CG 3.29Å; S265-Q269 WeakPolarHBondContact O-CG 3.4Å; S265-Q269 PolarHBondContact O-N 2.94Å; E266-Q269 PolarHBondContact O-N 3.44Å; Q269-S272 PolarHBondContact O-N 3.5Å; Q269-S273 WeakPolarHBondContact O-CB 3.27Å; Q269-S273 PolarHBondContact O-N 3.32Å; Q269-S273 PolarHBondContact O-OG 3.18Å
270L80.1Confident76.6Confident10 Ų1057.6 Ų57.65%0.05229%0.292CS..Hα-helixtrans-60-53.3174.6177.458.8000111.1L207 K208 L211 E266 F267 R268 S272 S273 V274L207-L270 HydrophobicContact CB-CD2 3.66Å; K208-L270 HydrophobicContact CB-CD1 4.39Å; K208-L270 HydrophobicContact CD-CD1 4.42Å; K208-L270 HydrophobicContact CG-CD1 3.39Å; K208-L270 HydrophobicContact CG-CD2 4.48Å; L211-L270 HydrophobicContact CD2-CD1 4.44Å; L211-L270 HydrophobicContact CD2-CG 4.46Å; E266-L270 WeakPolarHBondContact O-CB 3.4Å; E266-L270 PolarHBondContact O-N 3.23Å; F267-L270 WeakPolarHBondContact O-CB 3.2Å; F267-L270 PolarHBondContact O-N 3.06Å; R268-L270 VanDerWaalsContact C-N 3.31Å; R268-L270 PolarHBondContact O-N 3.05Å; L270-S272 VanDerWaalsContact C-N 3.31Å; L270-S272 PolarHBondContact O-N 3.44Å; L270-S273 PolarHBondContact O-N 2.85Å; L270-S273 PolarHBondContact O-OG 3.23Å; L270-V274 HydrophobicContact CD1-CG2 4.07Å; L270-V274 HydrophobicContact CG-CG2 4.49Å; L270-V274 WeakPolarHBondContact O-CG2 3.31Å; L270-V274 PolarHBondContact O-N 3.25Å
271I83.1Confident75.8Confident17 Ų1764 Ų649%0.08733%0.334CS..Hα-helixtrans-60-42.5179-67.4-56000111.3F267 R268 V274 F275 T308 E311F267-I271 HydrophobicContact CD1-CG1 4.04Å; F267-I271 HydrophobicContact CE1-CD1 4.2Å; F267-I271 HydrophobicContact CE1-CG1 3.6Å; F267-I271 HydrophobicContact CE2-CD1 4.31Å; F267-I271 HydrophobicContact CE2-CG1 4.33Å; F267-I271 HydrophobicContact CZ-CD1 3.85Å; F267-I271 HydrophobicContact CZ-CG1 3.77Å; F267-I271 WeakPolarHBondContact O-CG1 3.12Å; F267-I271 PolarHBondContact O-N 3.44Å; R268-I271 PolarHBondContact O-N 2.88Å; I271-V274 PolarHBondContact O-N 2.89Å; I271-F275 WeakPolarHBondContact O-CB 3.36Å; I271-F275 PolarHBondContact O-N 3.06Å; I271-T308 HydrophobicContact CD1-CG2 3.74Å; I271-T308 HydrophobicContact CG1-CG2 3.85Å; I271-T308 HydrophobicContact CG2-CG2 3.9Å; I271-E311 HydrophobicContact CG2-CB 4.48Å
272S81.6Confident75.2Confident51 Ų5159.7 Ų59.736%0.35733%0.325SS..Hα-helixtrans-60.5-47.4176.6-169.40000111.3R268 Q269 L270 V274 F275 T276R268-S272 WeakPolarHBondContact O-CB 3.25Å; R268-S272 PolarHBondContact O-N 2.87Å; Q269-S272 PolarHBondContact O-N 3.5Å; L270-S272 VanDerWaalsContact C-N 3.31Å; L270-S272 PolarHBondContact O-N 3.44Å; S272-V274 VanDerWaalsContact C-N 3.33Å; S272-V274 PolarHBondContact O-N 3.45Å; S272-F275 PolarHBondContact O-N 2.64Å; S272-T276 WeakPolarHBondContact O-CG2 3.37Å; S272-T276 PolarHBondContact O-N 2.66Å; S272-T276 PolarHBondContact O-OG1 3.21Å
273S80.9Confident74.5Confident52 Ų5266.3 Ų66.336%0.36436%0.356SS..Hα-helixtrans-60.1-42.1177.171.30000112.4Q269 L270 T276 E277Q269-S273 WeakPolarHBondContact O-CB 3.27Å; Q269-S273 PolarHBondContact O-N 3.32Å; Q269-S273 PolarHBondContact O-OG 3.18Å; L270-S273 PolarHBondContact O-N 2.85Å; L270-S273 PolarHBondContact O-OG 3.23Å; S273-T276 WeakPolarHBondContact CA-OG1 3.45Å; S273-T276 PolarHBondContact O-N 3.14Å; S273-T276 PolarHBondContact O-OG1 3.34Å; S273-E277 PolarHBondContact O-N 2.97Å
274V79.9Confident74.5Confident8 Ų862.9 Ų62.95%0.04835%0.345CS..Hα-helixtrans-67.9-41178.6172.70000111L211 L270 I271 S272 T276 E277 C278 Y290 I294L211-V274 HydrophobicContact CD2-CB 4.47Å; L211-V274 HydrophobicContact CD2-CG1 4.34Å; L211-V274 HydrophobicContact CD2-CG2 3.45Å; L211-V274 VanDerWaalsContact CD2-CG2 3.45Å; L270-V274 HydrophobicContact CD1-CG2 4.07Å; L270-V274 HydrophobicContact CG-CG2 4.49Å; L270-V274 WeakPolarHBondContact O-CG2 3.31Å; L270-V274 PolarHBondContact O-N 3.25Å; I271-V274 PolarHBondContact O-N 2.89Å; S272-V274 VanDerWaalsContact C-N 3.33Å; S272-V274 PolarHBondContact O-N 3.45Å; V274-T276 VanDerWaalsContact C-N 3.35Å; V274-E277 PolarHBondContact O-N 2.94Å; V274-C278 PolarHBondContact O-N 3.05Å; V274-C278 PolarHBondContact O-SG 3Å; V274-Y290 HydrophobicContact CG1-CD1 3.89Å; V274-Y290 HydrophobicContact CG1-CE1 4.29Å; V274-I294 HydrophobicContact CG1-CD1 3.59Å; V274-I294 HydrophobicContact CG1-CG1 4.48Å
275F77.5Confident74.6Confident27 Ų2770 Ų7012%0.11837%0.373CS..Hα-helixtrans-64.9-41.5177.2-168.8-92.5000111I271 S272 E277 C278 C279 L312 S315 L324I271-F275 WeakPolarHBondContact O-CB 3.36Å; I271-F275 PolarHBondContact O-N 3.06Å; S272-F275 PolarHBondContact O-N 2.64Å; F275-E277 VanDerWaalsContact C-N 3.28Å; F275-E277 PolarHBondContact O-N 3.12Å; F275-C278 WeakPolarHBondContact O-CB 3.43Å; F275-C278 PolarHBondContact O-N 3.24Å; F275-C278 VanDerWaalsContact O-N 3.16Å; F275-C279 VanDerWaalsContact CE1-SG 3.57Å; F275-C279 PolarHBondContact O-N 3.46Å; F275-C279 VanDerWaalsContact O-N 3.09Å; F275-L312 HydrophobicContact CE2-CB 4.42Å; F275-L312 HydrophobicContact CE2-CD1 3.99Å; F275-L312 HydrophobicContact CE2-CG 3.92Å; F275-L312 HydrophobicContact CZ-CG 4.35Å; F275-S315 WeakPolarHBondContact CE1-OG 3.4Å; F275-S315 VanDerWaalsContact CZ-OG 3.31Å; F275-S315 WeakPolarHBondContact CZ-OG 3.44Å; F275-L324 HydrophobicContact CE2-CD1 3.84Å; F275-L324 HydrophobicContact CE2-CD2 4.11Å; F275-L324 HydrophobicContact CZ-CD1 3.93Å
276T77.1Confident74.5Confident78 Ų7874.4 Ų74.448%0.47938%0.379SS..Hα-helixtrans-61.7-35.7174.558.50000112.6S272 S273 V274 Q280S272-T276 WeakPolarHBondContact O-CG2 3.37Å; S272-T276 PolarHBondContact O-N 2.66Å; S272-T276 PolarHBondContact O-OG1 3.21Å; S273-T276 WeakPolarHBondContact CA-OG1 3.45Å; S273-T276 PolarHBondContact O-N 3.14Å; S273-T276 PolarHBondContact O-OG1 3.34Å; V274-T276 VanDerWaalsContact C-N 3.35Å; T276-Q280 WeakPolarHBondContact O-CG 3.35Å
277E77.7Confident74.6Confident68 Ų6873.6 Ų73.632%0.31838%0.375SS..Hα-helixtrans-70.5-36.6174.9-166.6174.7-163.800111.7S273 V274 F275 C279 Q280 H287S273-E277 PolarHBondContact O-N 2.97Å; V274-E277 PolarHBondContact O-N 2.94Å; F275-E277 VanDerWaalsContact C-N 3.28Å; F275-E277 PolarHBondContact O-N 3.12Å; E277-C279 VanDerWaalsContact C-N 3.32Å; E277-C279 PolarHBondContact O-N 3.19Å; E277-Q280 PolarHBondContact O-N 3.4Å; E277-H287 IonicContact OE1-NE2 2.75Å; E277-H287 PolarHBondContact OE1-NE2 3.44Å
278C75.6Confident74.5Confident16 Ų1677 Ų7711%0.10839%0.392CS..Hα-helixtrans-66.6-31.3177-69.50000113.4V274 F275 Q280 Y290 V291V274-C278 PolarHBondContact O-N 3.05Å; V274-C278 PolarHBondContact O-SG 3Å; F275-C278 WeakPolarHBondContact O-CB 3.43Å; F275-C278 PolarHBondContact O-N 3.24Å; F275-C278 VanDerWaalsContact O-N 3.16Å; C278-Q280 VanDerWaalsContact C-N 3.3Å; C278-Y290 VanDerWaalsContact SG-CB 3.56Å; C278-V291 HydrophobicContact CB-CG2 3.97Å
279C70.5Confident74.8Confident34 Ų3473.5 Ų73.523%0.2338%0.378CS..THydrogen-bonded Turntrans-78.7-12.2176.9-70.50000113.1F275 E277F275-C279 VanDerWaalsContact CE1-SG 3.57Å; F275-C279 PolarHBondContact O-N 3.46Å; F275-C279 VanDerWaalsContact O-N 3.09Å; E277-C279 VanDerWaalsContact C-N 3.32Å; E277-C279 PolarHBondContact O-N 3.19Å
280Q73.6Confident75.1Confident123 Ų12368.8 Ų68.858%0.57536%0.355SS*.SBendtrans-81.3137.3178.4-71.8176.714.900111.7T276 E277 C278 S282T276-Q280 WeakPolarHBondContact O-CG 3.35Å; E277-Q280 PolarHBondContact O-N 3.4Å; C278-Q280 VanDerWaalsContact C-N 3.3Å; Q280-S282 PolarHBondContact O-N 2.89Å; Q280-S282 VanDerWaalsContact O-N 3.11Å
281P65.4Low75.5Confident135 Ų13568.4 Ų68.488%0.87735%0.354SS*.  trans-66.6112.817427.3-32.2000109.5
282S64.3Low75.8Confident52 Ų5267.6 Ų67.636%0.36435%0.35SS..  trans-133.1143178.859.40000111.2Q280 S284 H287Q280-S282 PolarHBondContact O-N 2.89Å; Q280-S282 VanDerWaalsContact O-N 3.11Å; S282-S284 VanDerWaalsContact C-N 3.35Å; S282-H287 WeakPolarHBondContact OG-CB 3.43Å; S282-H287 PolarHBondContact OG-CD2 2.76Å
283H57.3Low76.3Confident203 Ų20365.3 Ų65.394%0.9433%0.333SS*.  trans-91.13.6-178.3-66.8-64.9000113.7
284S68.5Low76.7Confident48 Ų4863.9 Ų63.934%0.33632%0.321SS..  trans-81.1127.9-173.9150.40000110.8S282 R286 H287 M288S282-S284 VanDerWaalsContact C-N 3.35Å; S284-R286 PolarHBondContact O-N 3.49Å; S284-R286 VanDerWaalsContact O-N 3.15Å; S284-R286 PolarHBondContact OG-N 2.89Å; S284-H287 WeakPolarHBondContact CB-ND1 3.18Å; S284-H287 WeakPolarHBondContact O-CB 3.5Å; S284-H287 PolarHBondContact O-N 3.44Å; S284-H287 PolarHBondContact OG-N 3.17Å; S284-H287 PolarHBondContact OG-ND1 2.63Å; S284-M288 PolarHBondContact O-N 3.43Å
285K67.7Low77.3Confident175 Ų17565.4 Ų65.476%0.76133%0.327SS*.Hα-helixtrans-55.1-30.8173.6-72.4-174.8179.2179.40112.4M288 Y289K285-M288 WeakPolarHBondContact O-CB 3.46Å; K285-M288 PolarHBondContact O-N 2.93Å; K285-Y289 WeakPolarHBondContact O-CD2 3.11Å
286R70.1Confident78Confident163 Ų16364.9 Ų64.962%0.61532%0.324SS*.Hα-helixtrans-66.6-43.8174.8-74.1-173.1-174.1173.60.5111.5S284 M288 Y289 Y290S284-R286 PolarHBondContact O-N 3.49Å; S284-R286 VanDerWaalsContact O-N 3.15Å; S284-R286 PolarHBondContact OG-N 2.89Å; R286-M288 PolarHBondContact O-N 3.37Å; R286-Y289 PolarHBondContact O-N 3.01Å; R286-Y290 VanDerWaalsContact O-CD2 3.29Å; R286-Y290 WeakPolarHBondContact O-CD2 3.36Å
287H76.1Confident78.7Confident52 Ų5261.4 Ų61.424%0.24130%0.303CS..Hα-helixtrans-59.3-34178-75.771.3000112E277 S282 S284 Y289 Y290E277-H287 IonicContact OE1-NE2 2.75Å; E277-H287 PolarHBondContact OE1-NE2 3.44Å; S282-H287 WeakPolarHBondContact OG-CB 3.43Å; S282-H287 PolarHBondContact OG-CD2 2.76Å; S284-H287 WeakPolarHBondContact CB-ND1 3.18Å; S284-H287 WeakPolarHBondContact O-CB 3.5Å; S284-H287 PolarHBondContact O-N 3.44Å; S284-H287 PolarHBondContact OG-N 3.17Å; S284-H287 PolarHBondContact OG-ND1 2.63Å; H287-Y289 PolarHBondContact O-N 3.4Å; H287-Y290 PolarHBondContact O-N 2.78Å
288M76.8Confident79.4Confident76 Ų7658.2 Ų58.237%0.37429%0.288SS..Hα-helixtrans-60.7-26.9176.3-160.7-179.379.500113.6S284 K285 R286 S327S284-M288 PolarHBondContact O-N 3.43Å; K285-M288 WeakPolarHBondContact O-CB 3.46Å; K285-M288 PolarHBondContact O-N 2.93Å; R286-M288 PolarHBondContact O-N 3.37Å; M288-S327 PolarHBondContact O-OG 3.31Å; M288-S327 VanDerWaalsContact O-OG 3.07Å
289Y86.4Confident80.2Confident25 Ų2559.3 Ų59.310%0.09830%0.298CS..Hα-helixtrans-97.8-5.4-176.6-62.7-43.9000114.7C219 V222 K285 R286 H287 F293 V331C219-Y289 HydrophobicContact CB-CD2 4.1Å; C219-Y289 VanDerWaalsContact SG-CD2 3.5Å; V222-Y289 HydrophobicContact CG1-CD1 4.32Å; V222-Y289 HydrophobicContact CG1-CE1 3.71Å; K285-Y289 WeakPolarHBondContact O-CD2 3.11Å; R286-Y289 PolarHBondContact O-N 3.01Å; H287-Y289 PolarHBondContact O-N 3.4Å; Y289-F293 VanDerWaalsContact O-CB 3.23Å; Y289-F293 WeakPolarHBondContact O-CB 3.49Å; Y289-F293 PolarHBondContact O-N 3.02Å; Y289-V331 HydrophobicContact CD1-CG2 3.52Å; Y289-V331 HydrophobicContact CE1-CG2 3.54Å
290Y86.3Confident81.2Confident31 Ų3159.7 Ų59.712%0.12230%0.304CS..Hα-helixtrans-60.9-49.2178.8-88.5-100.6000112.3L215 V274 C278 R286 H287 F293 I294L215-Y290 HydrophobicContact CD1-CD2 4.33Å; L215-Y290 HydrophobicContact CD1-CG 4.37Å; L215-Y290 HydrophobicContact CD2-CD1 4Å; L215-Y290 HydrophobicContact CD2-CD2 3.53Å; L215-Y290 HydrophobicContact CD2-CE1 3.7Å; L215-Y290 HydrophobicContact CD2-CE2 3.22Å; L215-Y290 HydrophobicContact CD2-CG 3.94Å; V274-Y290 HydrophobicContact CG1-CD1 3.89Å; V274-Y290 HydrophobicContact CG1-CE1 4.29Å; C278-Y290 VanDerWaalsContact SG-CB 3.56Å; R286-Y290 VanDerWaalsContact O-CD2 3.29Å; R286-Y290 WeakPolarHBondContact O-CD2 3.36Å; H287-Y290 PolarHBondContact O-N 2.78Å; Y290-F293 PolarHBondContact O-N 2.85Å; Y290-I294 VanDerWaalsContact O-CG1 3.28Å; Y290-I294 WeakPolarHBondContact O-CG1 3.47Å; Y290-I294 PolarHBondContact O-N 3.48Å
291V88.2Confident81.9Confident3 Ų355 Ų552%0.01828%0.282CS..Hα-helixtrans-63.1-52.6-177.8177.10000110.9C278 F293 I294 F295 L324 S327 L328C278-V291 HydrophobicContact CB-CG2 3.97Å; V291-F293 VanDerWaalsContact C-N 3.25Å; V291-F293 PolarHBondContact O-N 3.37Å; V291-I294 PolarHBondContact O-N 3.17Å; V291-F295 HydrophobicContact CG1-CD2 3.81Å; V291-F295 HydrophobicContact CG1-CE2 3.87Å; V291-F295 WeakPolarHBondContact O-CD2 2.97Å; V291-F295 PolarHBondContact O-N 3.2Å; V291-L324 HydrophobicContact CB-CD2 4.36Å; V291-L324 HydrophobicContact CG1-CB 4.35Å; V291-L324 HydrophobicContact CG1-CD2 3.82Å; V291-L324 HydrophobicContact CG2-CD2 3.57Å; V291-S327 WeakPolarHBondContact CB-OG 3.44Å; V291-L328 HydrophobicContact CG1-CB 4.38Å
292P91.2Very high83.2Confident0 Ų051 Ų510%026%0.258CS..Hα-helixtrans-52.8-40.9172.8-26.331.1000114.1F218 F295 R296 S327 V331 A336F218-P292 HydrophobicContact CE1-CB 3.73Å; F218-P292 HydrophobicContact CZ-CB 3.75Å; P292-F295 PolarHBondContact O-N 3.05Å; P292-R296 WeakPolarHBondContact O-CB 3.37Å; P292-R296 PolarHBondContact O-N 3.44Å; P292-S327 WeakPolarHBondContact CG-O 3.15Å; P292-V331 HydrophobicContact CB-CB 4.3Å; P292-V331 HydrophobicContact CB-CG2 4.12Å; P292-V331 HydrophobicContact CG-CB 4.29Å; P292-V331 HydrophobicContact CG-CG2 3.88Å; P292-A336 HydrophobicContact CB-CB 3.89Å
293F91.5Very high84.3Confident2 Ų250 Ų501%0.00925%0.248CC..Hα-helixtrans-65.6-44.3179.2175.3-123.3000112.3L211 G214 L215 F218 Y289 Y290 V291 F295 R296 L297L211-F293 HydrophobicContact CD1-CD1 4.45Å; L211-F293 HydrophobicContact CD1-CE1 3.64Å; L211-F293 HydrophobicContact CD1-CZ 4.41Å; L211-F293 HydrophobicContact CG-CE1 4.21Å; G214-F293 VanDerWaalsContact C-CE2 3.45Å; G214-F293 WeakPolarHBondContact O-CE2 3.15Å; L215-F293 HydrophobicContact CB-CD1 3.87Å; L215-F293 HydrophobicContact CB-CE1 3.97Å; L215-F293 HydrophobicContact CD1-CB 3.86Å; L215-F293 HydrophobicContact CD1-CD1 3.94Å; L215-F293 HydrophobicContact CD1-CG 4.08Å; F218-F293 HydrophobicContact CB-CB 4.39Å; F218-F293 HydrophobicContact CB-CD2 3.56Å; F218-F293 HydrophobicContact CB-CE2 4.17Å; F218-F293 HydrophobicContact CB-CG 4.18Å; F218-F293 HydrophobicContact CD1-CB 3.71Å; F218-F293 HydrophobicContact CD1-CD2 4.36Å; F218-F293 HydrophobicContact CD1-CG 4.41Å; F218-F293 HydrophobicContact CD2-CD2 4.09Å; F218-F293 HydrophobicContact CE1-CB 4.1Å; F218-F293 HydrophobicContact CG-CB 3.98Å; F218-F293 AromaticContact CG-CD2 3.75Å; F218-F293 HydrophobicContact CG-CD2 3.75Å; F218-F293 HydrophobicContact CG-CG 4.24Å; Y289-F293 VanDerWaalsContact O-CB 3.23Å; Y289-F293 WeakPolarHBondContact O-CB 3.49Å; Y289-F293 PolarHBondContact O-N 3.02Å; Y290-F293 PolarHBondContact O-N 2.85Å; V291-F293 VanDerWaalsContact C-N 3.25Å; V291-F293 PolarHBondContact O-N 3.37Å; F293-F295 PolarHBondContact O-N 3.3Å; F293-R296 WeakPolarHBondContact O-CB 3.43Å; F293-R296 PolarHBondContact O-N 3.01Å; F293-R296 VanDerWaalsContact O-N 3.11Å; F293-L297 HydrophobicContact CD1-CD1 4.32Å; F293-L297 HydrophobicContact CD2-CG 4.43Å; F293-L297 HydrophobicContact CE1-CD1 3.77Å; F293-L297 HydrophobicContact CE1-CG 4.49Å; F293-L297 HydrophobicContact CE2-CD1 4.13Å; F293-L297 HydrophobicContact CE2-CD2 4.06Å; F293-L297 HydrophobicContact CE2-CG 3.98Å; F293-L297 HydrophobicContact CZ-CD1 3.64Å; F293-L297 HydrophobicContact CZ-CD2 4.13Å; F293-L297 HydrophobicContact CZ-CG 4.01Å; F293-L297 WeakPolarHBondContact O-CG 3.43Å; F293-L297 PolarHBondContact O-N 2.7Å
294I89.8Confident85.9Confident23 Ų2340.4 Ų40.412%0.11820%0.204CC..Hα-helixtrans-61.1-46.2176.3-67.5164.6000110.4V274 Y290 V291 R296 L297 I298V274-I294 HydrophobicContact CG1-CD1 3.59Å; V274-I294 HydrophobicContact CG1-CG1 4.48Å; Y290-I294 VanDerWaalsContact O-CG1 3.28Å; Y290-I294 WeakPolarHBondContact O-CG1 3.47Å; Y290-I294 PolarHBondContact O-N 3.48Å; V291-I294 PolarHBondContact O-N 3.17Å; I294-R296 PolarHBondContact O-N 3.06Å; I294-L297 WeakPolarHBondContact O-CB 3.22Å; I294-L297 PolarHBondContact O-N 3.36Å; I294-L297 VanDerWaalsContact O-N 3.13Å; I294-I298 HydrophobicContact CG2-CD1 3.88Å; I294-I298 HydrophobicContact CG2-CG1 4.36Å; I294-I298 VanDerWaalsContact O-CG1 3.3Å; I294-I298 WeakPolarHBondContact O-CG1 3.09Å; I294-I298 PolarHBondContact O-N 3.17Å
295F91.2Very high87.1Confident39 Ų3938.1 Ų38.117%0.17119%0.188CC..Hα-helixtrans-62.1-30.9175.9-87.1-88.7000112.4V291 P292 F293 I298 A299 L312 L328 A336V291-F295 HydrophobicContact CG1-CD2 3.81Å; V291-F295 HydrophobicContact CG1-CE2 3.87Å; V291-F295 WeakPolarHBondContact O-CD2 2.97Å; V291-F295 PolarHBondContact O-N 3.2Å; P292-F295 PolarHBondContact O-N 3.05Å; F293-F295 PolarHBondContact O-N 3.3Å; F295-I298 PolarHBondContact O-N 3.08Å; F295-A299 WeakPolarHBondContact O-CB 3.31Å; F295-A299 PolarHBondContact O-N 3.44Å; F295-L312 HydrophobicContact CE2-CD1 4.43Å; F295-L312 HydrophobicContact CZ-CD1 4.17Å; F295-L328 HydrophobicContact CB-CD1 4.01Å; F295-L328 HydrophobicContact CD2-CD1 4.15Å; F295-L328 HydrophobicContact CG-CD1 4.09Å; F295-L328 HydrophobicContact CG-CD2 4.5Å; F295-A336 CarbonylContact C-O 3.12Å; F295-A336 VanDerWaalsContact C-O 3.23Å
296R92.9Very high88.2Confident16 Ų1630.9 Ų30.96%0.0616%0.158CC..Hα-helixtrans-69.2-38.8174.9-172.155.5178.1158.50.4111.9F218 L249 P292 F293 I294 A300 A336F218-R296 HydrophobicContact CE2-CB 4.19Å; F218-R296 HydrophobicContact CE2-CG 4.3Å; L249-R296 HydrophobicContact CD1-CG 4.11Å; L249-R296 HydrophobicContact CD2-CG 3.84Å; P292-R296 WeakPolarHBondContact O-CB 3.37Å; P292-R296 PolarHBondContact O-N 3.44Å; F293-R296 WeakPolarHBondContact O-CB 3.43Å; F293-R296 PolarHBondContact O-N 3.01Å; F293-R296 VanDerWaalsContact O-N 3.11Å; I294-R296 PolarHBondContact O-N 3.06Å; R296-A300 VanDerWaalsContact O-CB 3.25Å; R296-A300 WeakPolarHBondContact O-CB 3.32Å; R296-A300 PolarHBondContact O-N 2.97Å; R296-A336 WeakPolarHBondContact CA-O 3.49Å; R296-A336 VanDerWaalsContact CB-O 3.23Å; R296-A336 WeakPolarHBondContact CB-O 3.35Å; R296-A336 PolarHBondContact N-O 3.34Å
297L91.9Very high89Confident6 Ų623.6 Ų23.63%0.03113%0.131CC..Hα-helixtrans-66.2-42.7173.3-66.9175.3000111.9L211 L249 I252 L256 F293 I294 A299 A300 N301 I304L211-L297 HydrophobicContact CD1-CD1 3.91Å; L249-L297 HydrophobicContact CD1-CD2 4.11Å; I252-L297 HydrophobicContact CG2-CD2 4.24Å; L256-L297 HydrophobicContact CD1-CD1 3.81Å; L256-L297 HydrophobicContact CD1-CD2 4.22Å; F293-L297 HydrophobicContact CD1-CD1 4.32Å; F293-L297 HydrophobicContact CD2-CG 4.43Å; F293-L297 HydrophobicContact CE1-CD1 3.77Å; F293-L297 HydrophobicContact CE1-CG 4.49Å; F293-L297 HydrophobicContact CE2-CD1 4.13Å; F293-L297 HydrophobicContact CE2-CD2 4.06Å; F293-L297 HydrophobicContact CE2-CG 3.98Å; F293-L297 HydrophobicContact CZ-CD1 3.64Å; F293-L297 HydrophobicContact CZ-CD2 4.13Å; F293-L297 HydrophobicContact CZ-CG 4.01Å; F293-L297 WeakPolarHBondContact O-CG 3.43Å; F293-L297 PolarHBondContact O-N 2.7Å; I294-L297 WeakPolarHBondContact O-CB 3.22Å; I294-L297 PolarHBondContact O-N 3.36Å; I294-L297 VanDerWaalsContact O-N 3.13Å; L297-A299 VanDerWaalsContact C-N 3.35Å; L297-A299 PolarHBondContact O-N 2.86Å; L297-A300 PolarHBondContact O-N 2.78Å; L297-N301 PolarHBondContact O-N 3.37Å; L297-I304 HydrophobicContact CB-CD1 4.12Å; L297-I304 HydrophobicContact CB-CG2 4.26Å
298I92.6Very high89.6Confident1 Ų121.3 Ų21.31%0.00512%0.121CC..Hα-helixtrans-58.2-47.7175.3-70.2172.7000110.5I294 F295 A300 A305 T308 L309 I349I294-I298 HydrophobicContact CG2-CD1 3.88Å; I294-I298 HydrophobicContact CG2-CG1 4.36Å; I294-I298 VanDerWaalsContact O-CG1 3.3Å; I294-I298 WeakPolarHBondContact O-CG1 3.09Å; I294-I298 PolarHBondContact O-N 3.17Å; F295-I298 PolarHBondContact O-N 3.08Å; I298-A300 VanDerWaalsContact C-N 3.29Å; I298-A300 PolarHBondContact O-N 3.5Å; I298-A305 HydrophobicContact CB-CB 4.46Å; I298-A305 HydrophobicContact CG2-CB 3.72Å; I298-T308 WeakPolarHBondContact CD1-OG1 3.42Å; I298-T308 VanDerWaalsContact CG1-OG1 3.29Å; I298-T308 WeakPolarHBondContact CG1-OG1 3.3Å; I298-L309 HydrophobicContact CD1-CD2 4.09Å; I298-L309 HydrophobicContact CD1-CG 4.46Å; I298-L309 HydrophobicContact CG2-CD1 4.32Å; I298-L309 HydrophobicContact CG2-CG 4.41Å; I298-I349 HydrophobicContact CG2-CD1 3.98Å; I298-I349 HydrophobicContact CG2-CG1 4.22Å; I298-I349 HydrophobicContact CG2-CG2 3.63Å
299A92.2Very high90.2Very high39 Ų3918.4 Ų18.432%0.32211%0.107SC..Hα-helixtrans-68.5-28.3179.500000113.2F295 L297 T337 I349F295-A299 WeakPolarHBondContact O-CB 3.31Å; F295-A299 PolarHBondContact O-N 3.44Å; L297-A299 VanDerWaalsContact C-N 3.35Å; L297-A299 PolarHBondContact O-N 2.86Å; A299-T337 WeakPolarHBondContact CB-O 3.46Å; A299-I349 HydrophobicContact CB-CD1 4.27Å; A299-I349 HydrophobicContact CB-CG1 4.25Å
300A90.7Very high90.3Very high42 Ų4218.8 Ų18.835%0.34711%0.112SC..Hα-helixtrans-84.1-26.3-177.600000114L249 R296 L297 I298L249-A300 HydrophobicContact CD1-CB 4.45Å; L249-A300 HydrophobicContact CD2-CB 4.19Å; L249-A300 HydrophobicContact CG-CB 4.29Å; R296-A300 VanDerWaalsContact O-CB 3.25Å; R296-A300 WeakPolarHBondContact O-CB 3.32Å; R296-A300 PolarHBondContact O-N 2.97Å; L297-A300 PolarHBondContact O-N 2.78Å; I298-A300 VanDerWaalsContact C-N 3.29Å; I298-A300 PolarHBondContact O-N 3.5Å
301N89.2Confident90.1Very high23 Ų2320 Ų2012%0.12312%0.119CC..  trans-144.4121.6-175.4-174-67.1000112.5S253 G257 L297 D303 I304 A305S253-N301 PolarHBondContact O-ND2 2.86Å; G257-N301 WeakPolarHBondContact CA-OD1 3.44Å; L297-N301 PolarHBondContact O-N 3.37Å; N301-D303 PolarHBondContact O-N 2.86Å; N301-D303 WeakPolarHBondContact OD1-CA 3.29Å; N301-D303 VanDerWaalsContact OD1-CB 3.29Å; N301-D303 WeakPolarHBondContact OD1-CB 3.5Å; N301-D303 PolarHBondContact OD1-N 3.33Å; N301-I304 HydrophobicContact CB-CB 4.36Å; N301-I304 HydrophobicContact CB-CD1 3.92Å; N301-I304 HydrophobicContact CB-CG1 3.95Å; N301-I304 PolarHBondContact O-N 2.89Å; N301-I304 PolarHBondContact OD1-N 3.26Å; N301-A305 PolarHBondContact O-N 3.11Å
302S91.7Very high89.9Confident52 Ų5221 Ų2136%0.36412%0.124SC..Hα-helixtrans-68.1-29.7-177.157.50000113.9A305 N306 S352S302-A305 PolarHBondContact O-N 3.27Å; S302-N306 WeakPolarHBondContact O-CB 3.18Å; S302-N306 PolarHBondContact O-N 2.69Å; S302-N306 PolarHBondContact O-ND2 2.9Å; S302-S352 WeakPolarHBondContact CB-O 3.43Å
303D88.8Confident89.7Confident30 Ų3021.9 Ų21.916%0.1613%0.129CC..Hα-helixtrans-66.7-41.7175.6-61.8-65.2000110.7G257 A260 R261 N301 N306 V307G257-D303 VanDerWaalsContact O-CB 3.29Å; G257-D303 WeakPolarHBondContact O-CB 3.24Å; A260-D303 HydrophobicContact CB-CB 4.29Å; A260-D303 WeakPolarHBondContact CB-O 3.45Å; R261-D303 HydrophobicContact CB-CB 4.01Å; R261-D303 WeakPolarHBondContact CG-OD1 3.35Å; R261-D303 IonicContact CZ-OD2 3.73Å; R261-D303 VanDerWaalsContact NE-CG 3.35Å; R261-D303 IonicContact NE-OD1 3.28Å; R261-D303 PolarHBondContact NE-OD1 3.42Å; R261-D303 IonicContact NE-OD2 3.54Å; R261-D303 PolarHBondContact NE-OD2 3.42Å; R261-D303 IonicContact NH2-OD2 2.78Å; R261-D303 PolarHBondContact NH2-OD2 3.44Å; N301-D303 PolarHBondContact O-N 2.86Å; N301-D303 WeakPolarHBondContact OD1-CA 3.29Å; N301-D303 VanDerWaalsContact OD1-CB 3.29Å; N301-D303 WeakPolarHBondContact OD1-CB 3.5Å; N301-D303 PolarHBondContact OD1-N 3.33Å; D303-N306 PolarHBondContact O-N 2.94Å; D303-V307 PolarHBondContact O-N 3.28Å
304I90.6Very high89.3Confident3 Ų328.2 Ų28.22%0.01516%0.158CC..Hα-helixtrans-61-48.7172.8-58-177.4000109.7S253 L256 G257 A260 F267 L297 N301 N306 V307 T308S253-I304 WeakPolarHBondContact O-CD1 3.24Å; L256-I304 HydrophobicContact CB-CD1 3.64Å; L256-I304 HydrophobicContact CB-CG1 4.36Å; G257-I304 VanDerWaalsContact CA-CG1 3.46Å; A260-I304 HydrophobicContact CB-CG1 4.34Å; F267-I304 HydrophobicContact CZ-CG2 4.4Å; L297-I304 HydrophobicContact CB-CD1 4.12Å; L297-I304 HydrophobicContact CB-CG2 4.26Å; N301-I304 HydrophobicContact CB-CB 4.36Å; N301-I304 HydrophobicContact CB-CD1 3.92Å; N301-I304 HydrophobicContact CB-CG1 3.95Å; N301-I304 PolarHBondContact O-N 2.89Å; N301-I304 PolarHBondContact OD1-N 3.26Å; I304-N306 VanDerWaalsContact C-N 3.32Å; I304-N306 PolarHBondContact O-N 3.11Å; I304-V307 PolarHBondContact O-N 3.06Å; I304-T308 HydrophobicContact CG2-CG2 3.69Å; I304-T308 WeakPolarHBondContact O-CB 3.29Å; I304-T308 VanDerWaalsContact O-CG2 3.3Å; I304-T308 WeakPolarHBondContact O-CG2 3.37Å; I304-T308 PolarHBondContact O-N 3.25Å; I304-T308 PolarHBondContact O-OG1 3.14Å
305A92.8Very high88.8Confident0 Ų028.9 Ų28.90%017%0.165CC..Hα-helixtrans-55.9-46.3179.900000111.9I298 N301 S302 V307 T308 L309 L353I298-A305 HydrophobicContact CB-CB 4.46Å; I298-A305 HydrophobicContact CG2-CB 3.72Å; N301-A305 PolarHBondContact O-N 3.11Å; S302-A305 PolarHBondContact O-N 3.27Å; A305-V307 VanDerWaalsContact C-N 3.29Å; A305-V307 PolarHBondContact O-N 3.38Å; A305-T308 PolarHBondContact O-OG1 3.42Å; A305-L309 HydrophobicContact CB-CD1 4.42Å; A305-L309 VanDerWaalsContact O-CB 3.23Å; A305-L309 WeakPolarHBondContact O-CB 3.38Å; A305-L309 VanDerWaalsContact O-CG 3.31Å; A305-L309 WeakPolarHBondContact O-CG 3.46Å; A305-L309 PolarHBondContact O-N 3.22Å; A305-L353 HydrophobicContact CB-CD2 3.62Å
306N90.4Very high88.3Confident22 Ų2227.4 Ų27.412%0.11816%0.16CC..Hα-helixtrans-64.4-29.4-178.7-79-61.2000113.7S302 D303 I304 V310 N354 T357S302-N306 WeakPolarHBondContact O-CB 3.18Å; S302-N306 PolarHBondContact O-N 2.69Å; S302-N306 PolarHBondContact O-ND2 2.9Å; D303-N306 PolarHBondContact O-N 2.94Å; I304-N306 VanDerWaalsContact C-N 3.32Å; I304-N306 PolarHBondContact O-N 3.11Å; N306-V310 WeakPolarHBondContact O-CG2 3.45Å; N306-N354 PolarHBondContact OD1-N 3.21Å; N306-N354 PolarHBondContact OD1-ND2 3.37Å; N306-N354 PolarHBondContact OD1-OD1 2.88Å; N306-T357 WeakPolarHBondContact OD1-CB 3.48Å; N306-T357 PolarHBondContact OD1-OG1 2.86Å
307V87.4Confident87.5Confident10 Ų1030 Ų306%0.06118%0.175CC..Hα-helixtrans-87.7-46177.2179.50000111.5A260 F267 R268 D303 I304 A305 V310A260-V307 HydrophobicContact CB-CB 4.4Å; A260-V307 HydrophobicContact CB-CG2 4Å; A260-V307 WeakPolarHBondContact O-CG2 3.39Å; F267-V307 HydrophobicContact CD1-CB 4.37Å; F267-V307 HydrophobicContact CD1-CG1 3.84Å; F267-V307 HydrophobicContact CE1-CB 4.1Å; F267-V307 HydrophobicContact CE1-CG1 3.96Å; R268-V307 HydrophobicContact CG-CG1 3.77Å; D303-V307 PolarHBondContact O-N 3.28Å; I304-V307 PolarHBondContact O-N 3.06Å; A305-V307 VanDerWaalsContact C-N 3.29Å; A305-V307 PolarHBondContact O-N 3.38Å; V307-V310 PolarHBondContact O-N 3.42Å
308T88.5Confident86.7Confident5 Ų532.2 Ų32.23%0.03119%0.187CC..Hα-helixtrans-68.8-39.5-175.153.40000112.9F267 I271 I298 I304 A305 V310 E311 L312F267-T308 HydrophobicContact CE1-CG2 4.49Å; I271-T308 HydrophobicContact CD1-CG2 3.74Å; I271-T308 HydrophobicContact CG1-CG2 3.85Å; I271-T308 HydrophobicContact CG2-CG2 3.9Å; I298-T308 WeakPolarHBondContact CD1-OG1 3.42Å; I298-T308 VanDerWaalsContact CG1-OG1 3.29Å; I298-T308 WeakPolarHBondContact CG1-OG1 3.3Å; I304-T308 HydrophobicContact CG2-CG2 3.69Å; I304-T308 WeakPolarHBondContact O-CB 3.29Å; I304-T308 VanDerWaalsContact O-CG2 3.3Å; I304-T308 WeakPolarHBondContact O-CG2 3.37Å; I304-T308 PolarHBondContact O-N 3.25Å; I304-T308 PolarHBondContact O-OG1 3.14Å; A305-T308 PolarHBondContact O-OG1 3.42Å; T308-V310 VanDerWaalsContact C-N 3.31Å; T308-V310 PolarHBondContact O-N 2.86Å; T308-E311 PolarHBondContact O-N 3.42Å; T308-L312 WeakPolarHBondContact O-CB 3.5Å; T308-L312 PolarHBondContact O-N 3.06Å
309L90.4Very high86Confident15 Ų1539.1 Ų39.18%0.07922%0.219CC..Hα-helixtrans-71-27.4-179.1-69.1177000112.6I298 A305 L312 V313 I349 L353 T357 V361I298-L309 HydrophobicContact CD1-CD2 4.09Å; I298-L309 HydrophobicContact CD1-CG 4.46Å; I298-L309 HydrophobicContact CG2-CD1 4.32Å; I298-L309 HydrophobicContact CG2-CG 4.41Å; A305-L309 HydrophobicContact CB-CD1 4.42Å; A305-L309 VanDerWaalsContact O-CB 3.23Å; A305-L309 WeakPolarHBondContact O-CB 3.38Å; A305-L309 VanDerWaalsContact O-CG 3.31Å; A305-L309 WeakPolarHBondContact O-CG 3.46Å; A305-L309 PolarHBondContact O-N 3.22Å; L309-L312 PolarHBondContact O-N 3.36Å; L309-V313 VanDerWaalsContact O-CB 3.32Å; L309-V313 WeakPolarHBondContact O-CB 3.49Å; L309-V313 WeakPolarHBondContact O-CG2 3.49Å; L309-V313 PolarHBondContact O-N 3.29Å; L309-I349 HydrophobicContact CD1-CG2 3.79Å; L309-L353 HydrophobicContact CD1-CD1 3.77Å; L309-L353 HydrophobicContact CD1-CD2 3.75Å; L309-L353 HydrophobicContact CD1-CG 4.35Å; L309-T357 HydrophobicContact CB-CG2 4.27Å; L309-V361 HydrophobicContact CB-CG2 4.15Å; L309-V361 HydrophobicContact CD1-CG2 4.4Å
310V88.1Confident85.4Confident33 Ų3338.8 Ų38.820%0.221%0.212CC..Hα-helixtrans-59.6-53.4171.5174.40000109.1N306 V307 T308 L312 V313 H314 T357N306-V310 WeakPolarHBondContact O-CG2 3.45Å; V307-V310 PolarHBondContact O-N 3.42Å; T308-V310 VanDerWaalsContact C-N 3.31Å; T308-V310 PolarHBondContact O-N 2.86Å; V310-L312 VanDerWaalsContact C-N 3.32Å; V310-L312 PolarHBondContact O-N 3.18Å; V310-V313 PolarHBondContact O-N 3.45Å; V310-H314 PolarHBondContact O-N 2.98Å; V310-H314 VanDerWaalsContact O-N 3.16Å; V310-H314 PolarHBondContact O-ND1 3.22Å; V310-T357 HydrophobicContact CG2-CG2 3.7Å
311E82.4Confident84.9Confident55 Ų5538.8 Ų38.826%0.25721%0.206SC..Hα-helixtrans-61.1-39.5178.1-63.4-61.5148.400112.3I271 T308 H314 S315I271-E311 HydrophobicContact CG2-CB 4.48Å; T308-E311 PolarHBondContact O-N 3.42Å; E311-H314 PolarHBondContact O-N 3.42Å; E311-S315 PolarHBondContact O-N 2.9Å; E311-S315 VanDerWaalsContact O-N 3.16Å; E311-S315 PolarHBondContact O-OG 3.3Å
312L84.5Confident84.4Confident26 Ų2640.1 Ų40.114%0.13622%0.217CC..Hα-helixtrans-65.3-41.8177.9-169.2149.3000111.9F275 F295 T308 L309 V310 S315 A316 L324F275-L312 HydrophobicContact CE2-CB 4.42Å; F275-L312 HydrophobicContact CE2-CD1 3.99Å; F275-L312 HydrophobicContact CE2-CG 3.92Å; F275-L312 HydrophobicContact CZ-CG 4.35Å; F295-L312 HydrophobicContact CE2-CD1 4.43Å; F295-L312 HydrophobicContact CZ-CD1 4.17Å; T308-L312 WeakPolarHBondContact O-CB 3.5Å; T308-L312 PolarHBondContact O-N 3.06Å; L309-L312 PolarHBondContact O-N 3.36Å; V310-L312 VanDerWaalsContact C-N 3.32Å; V310-L312 PolarHBondContact O-N 3.18Å; L312-S315 CarbonylContact O-C 3.39Å; L312-S315 PolarHBondContact O-N 3.42Å; L312-S315 PolarHBondContact O-OG 3.44Å; L312-A316 VanDerWaalsContact O-CB 3.23Å; L312-A316 WeakPolarHBondContact O-CB 3.47Å; L312-A316 PolarHBondContact O-N 3.39Å; L312-L324 HydrophobicContact CD1-CD1 4.33Å
313V87Confident83.9Confident18 Ų1840.3 Ų40.311%0.10922%0.216CC..Hα-helixtrans-63.6-41.9178.2164.20000111.5L309 V310 S315 A316 Q360 V361 K364L309-V313 VanDerWaalsContact O-CB 3.32Å; L309-V313 WeakPolarHBondContact O-CB 3.49Å; L309-V313 WeakPolarHBondContact O-CG2 3.49Å; L309-V313 PolarHBondContact O-N 3.29Å; V310-V313 PolarHBondContact O-N 3.45Å; V313-S315 VanDerWaalsContact C-N 3.29Å; V313-S315 PolarHBondContact O-N 2.81Å; V313-A316 PolarHBondContact O-N 2.78Å; V313-Q360 HydrophobicContact CG1-CB 4.37Å; V313-V361 HydrophobicContact CG2-CB 4.31Å; V313-V361 HydrophobicContact CG2-CG2 3.71Å; V313-K364 HydrophobicContact CG1-CB 3.8Å; V313-K364 HydrophobicContact CG1-CG 4.17Å
314H82.4Confident83.6Confident134 Ų13439.3 Ų39.362%0.6221%0.211SC*.Hα-helixtrans-64.8-34.5178.1-73.486.5000112.3V310 E311V310-H314 PolarHBondContact O-N 2.98Å; V310-H314 VanDerWaalsContact O-N 3.16Å; V310-H314 PolarHBondContact O-ND1 3.22Å; E311-H314 PolarHBondContact O-N 3.42Å
315S79.3Confident83.3Confident37 Ų3744 Ų4426%0.25923%0.228SC..Hα-helixtrans-96.1-3.8-177.657.30000114.3F275 E311 L312 V313 N317 N320F275-S315 WeakPolarHBondContact CE1-OG 3.4Å; F275-S315 VanDerWaalsContact CZ-OG 3.31Å; F275-S315 WeakPolarHBondContact CZ-OG 3.44Å; E311-S315 PolarHBondContact O-N 2.9Å; E311-S315 VanDerWaalsContact O-N 3.16Å; E311-S315 PolarHBondContact O-OG 3.3Å; L312-S315 CarbonylContact O-C 3.39Å; L312-S315 PolarHBondContact O-N 3.42Å; L312-S315 PolarHBondContact O-OG 3.44Å; V313-S315 VanDerWaalsContact C-N 3.29Å; V313-S315 PolarHBondContact O-N 2.81Å; S315-N317 PolarHBondContact O-N 3.07Å; S315-N317 VanDerWaalsContact O-N 3.15Å; S315-N320 PolarHBondContact O-ND2 2.93Å
316A80.4Confident82.9Confident8 Ų851.5 Ų51.57%0.06626%0.261CS..  trans-70.7108.9-178.200000112L312 V313 L321 K364L312-A316 VanDerWaalsContact O-CB 3.23Å; L312-A316 WeakPolarHBondContact O-CB 3.47Å; L312-A316 PolarHBondContact O-N 3.39Å; V313-A316 PolarHBondContact O-N 2.78Å; A316-L321 HydrophobicContact CB-CD2 4.25Å; A316-L321 HydrophobicContact CB-CG 4.39Å; A316-K364 WeakPolarHBondContact O-CE 3.44Å; A316-K364 PolarHBondContact O-NZ 2.89Å
317N76.6Confident82.7Confident71 Ų7151.4 Ų51.438%0.3826%0.261SS..  trans-124.3171.3165.46712.1000109.7S315 E319 N320 L321S315-N317 PolarHBondContact O-N 3.07Å; S315-N317 VanDerWaalsContact O-N 3.15Å; N317-E319 VanDerWaalsContact C-N 3.28Å; N317-E319 PolarHBondContact O-N 3.32Å; N317-E319 PolarHBondContact OD1-N 2.98Å; N317-N320 PolarHBondContact O-N 2.93Å; N317-N320 WeakPolarHBondContact OD1-CB 3.33Å; N317-N320 PolarHBondContact OD1-N 3.48Å; N317-N320 PolarHBondContact OD1-ND2 3.48Å; N317-N320 PolarHBondContact OD1-OD1 2.88Å; N317-L321 WeakPolarHBondContact O-CB 3.4Å; N317-L321 WeakPolarHBondContact O-CG 3.16Å; N317-L321 PolarHBondContact O-N 3Å
318L75.7Confident82.7Confident53 Ų5351.5 Ų51.528%0.27726%0.262SS..Hα-helixtrans-56.1-42.3-177.4177.564.1000112.2S322 L381 L384L318-S322 WeakPolarHBondContact O-CB 3.29Å; L318-S322 PolarHBondContact O-N 3.05Å; L318-L381 HydrophobicContact CD1-CD1 4.5Å; L318-L381 HydrophobicContact CD2-CD1 4.2Å; L318-L384 HydrophobicContact CD1-CB 4.12Å; L318-L384 HydrophobicContact CD1-CD2 3.5Å; L318-L384 VanDerWaalsContact CD1-CD2 3.5Å; L318-L384 HydrophobicContact CD1-CG 4.36Å
319E77.2Confident82.7Confident146 Ų14655.5 Ų55.568%0.68228%0.283SS*.Hα-helixtrans-64.3-51.9-179.5-64.4-177.2170.900111.4N317 L321 S322 V323N317-E319 VanDerWaalsContact C-N 3.28Å; N317-E319 PolarHBondContact O-N 3.32Å; N317-E319 PolarHBondContact OD1-N 2.98Å; E319-L321 PolarHBondContact O-N 3.29Å; E319-S322 PolarHBondContact O-N 2.7Å; E319-S322 VanDerWaalsContact O-N 3.17Å; E319-S322 PolarHBondContact O-OG 3.16Å; E319-V323 WeakPolarHBondContact O-CG2 3.4Å; E319-V323 PolarHBondContact O-N 3.22Å; E319-V323 VanDerWaalsContact O-N 3.08Å
320N79.4Confident82.5Confident32 Ų3256.4 Ų56.417%0.17129%0.29CS..Hα-helixtrans-61-44.9179.3-68.2-15.5000111.1S315 N317 S322 V323 L324S315-N320 PolarHBondContact O-ND2 2.93Å; N317-N320 PolarHBondContact O-N 2.93Å; N317-N320 WeakPolarHBondContact OD1-CB 3.33Å; N317-N320 PolarHBondContact OD1-N 3.48Å; N317-N320 PolarHBondContact OD1-ND2 3.48Å; N317-N320 PolarHBondContact OD1-OD1 2.88Å; N320-S322 VanDerWaalsContact C-N 3.29Å; N320-S322 PolarHBondContact O-N 3.02Å; N320-V323 PolarHBondContact O-N 3.27Å; N320-L324 WeakPolarHBondContact O-CB 3.29Å; N320-L324 WeakPolarHBondContact O-CG 3.45Å; N320-L324 PolarHBondContact O-N 2.7Å
321L80.4Confident82.5Confident42 Ų4255.1 Ų55.122%0.2228%0.282CS..Hα-helixtrans-62.5-36.9178-70.5177.1000112.1A316 N317 E319 R325 L368 L384A316-L321 HydrophobicContact CB-CD2 4.25Å; A316-L321 HydrophobicContact CB-CG 4.39Å; N317-L321 WeakPolarHBondContact O-CB 3.4Å; N317-L321 WeakPolarHBondContact O-CG 3.16Å; N317-L321 PolarHBondContact O-N 3Å; E319-L321 PolarHBondContact O-N 3.29Å; L321-R325 VanDerWaalsContact O-CB 3.24Å; L321-R325 WeakPolarHBondContact O-CB 3.41Å; L321-R325 PolarHBondContact O-N 2.92Å; L321-L368 HydrophobicContact CD1-CD1 3.76Å; L321-L384 HydrophobicContact CD1-CD2 4.36Å
322S78.7Confident82.8Confident50 Ų5053.9 Ų53.935%0.3528%0.279SS..Hα-helixtrans-66.5-38.9176.681.40000112.3L318 E319 N320 K326L318-S322 WeakPolarHBondContact O-CB 3.29Å; L318-S322 PolarHBondContact O-N 3.05Å; E319-S322 PolarHBondContact O-N 2.7Å; E319-S322 VanDerWaalsContact O-N 3.17Å; E319-S322 PolarHBondContact O-OG 3.16Å; N320-S322 VanDerWaalsContact C-N 3.29Å; N320-S322 PolarHBondContact O-N 3.02Å; S322-K326 VanDerWaalsContact O-CG 3.3Å; S322-K326 WeakPolarHBondContact O-CG 3.48Å; S322-K326 PolarHBondContact O-N 3.27Å; S322-K326 VanDerWaalsContact O-N 3.09Å
323V80.8Confident83.1Confident56 Ų5653.8 Ų53.834%0.33928%0.279SS..Hα-helixtrans-68.4-47.7176.4174.40000110.4E319 N320 R325 K326 S327E319-V323 WeakPolarHBondContact O-CG2 3.4Å; E319-V323 PolarHBondContact O-N 3.22Å; E319-V323 VanDerWaalsContact O-N 3.08Å; N320-V323 PolarHBondContact O-N 3.27Å; V323-R325 VanDerWaalsContact C-N 3.34Å; V323-R325 PolarHBondContact O-N 2.95Å; V323-K326 PolarHBondContact O-N 3.05Å; V323-S327 WeakPolarHBondContact O-CB 3.47Å; V323-S327 PolarHBondContact O-N 2.84Å
324L83Confident83.2Confident10 Ų1056.6 Ų56.65%0.05229%0.288CS..Hα-helixtrans-59.5-44.3177.4-68.5174.6000111.2F275 V291 L312 N320 S327 L328F275-L324 HydrophobicContact CE2-CD1 3.84Å; F275-L324 HydrophobicContact CE2-CD2 4.11Å; F275-L324 HydrophobicContact CZ-CD1 3.93Å; V291-L324 HydrophobicContact CB-CD2 4.36Å; V291-L324 HydrophobicContact CG1-CB 4.35Å; V291-L324 HydrophobicContact CG1-CD2 3.82Å; V291-L324 HydrophobicContact CG2-CD2 3.57Å; L312-L324 HydrophobicContact CD1-CD1 4.33Å; N320-L324 WeakPolarHBondContact O-CB 3.29Å; N320-L324 WeakPolarHBondContact O-CG 3.45Å; N320-L324 PolarHBondContact O-N 2.7Å; L324-S327 PolarHBondContact O-N 2.99Å; L324-L328 VanDerWaalsContact O-CB 3.26Å; L324-L328 WeakPolarHBondContact O-CB 3.31Å; L324-L328 PolarHBondContact O-N 3.22Å
325R84.5Confident83.4Confident101 Ų10150.2 Ų50.238%0.38126%0.259SS..Hα-helixtrans-62.3-46.3177.7-179.2177.9173.6-165.8-4.3111.9L321 V323 S327 L328 L329 H383 Q387L321-R325 VanDerWaalsContact O-CB 3.24Å; L321-R325 WeakPolarHBondContact O-CB 3.41Å; L321-R325 PolarHBondContact O-N 2.92Å; V323-R325 VanDerWaalsContact C-N 3.34Å; V323-R325 PolarHBondContact O-N 2.95Å; R325-S327 VanDerWaalsContact C-N 3.29Å; R325-S327 PolarHBondContact O-N 3.46Å; R325-L328 PolarHBondContact O-N 2.9Å; R325-L329 HydrophobicContact CG-CD1 3.88Å; R325-L329 HydrophobicContact CG-CG 4.41Å; R325-L329 WeakPolarHBondContact O-CB 3.48Å; R325-L329 VanDerWaalsContact O-CG 3.28Å; R325-L329 WeakPolarHBondContact O-CG 3.46Å; R325-L329 PolarHBondContact O-N 3.21Å; R325-H383 PolarHBondContact NH1-NE2 3.05Å; R325-Q387 VanDerWaalsContact CZ-NE2 3.31Å; R325-Q387 VanDerWaalsContact NH1-CD 3.31Å; R325-Q387 VanDerWaalsContact NH2-NE2 3.11Å
326K84.2Confident83.9Confident158 Ų15848.5 Ų48.569%0.68725%0.246SC*.Hα-helixtrans-59.8-42.7177.2-75.6173.2-177.7175.70111.3S322 V323 S330S322-K326 VanDerWaalsContact O-CG 3.3Å; S322-K326 WeakPolarHBondContact O-CG 3.48Å; S322-K326 PolarHBondContact O-N 3.27Å; S322-K326 VanDerWaalsContact O-N 3.09Å; V323-K326 PolarHBondContact O-N 3.05Å; K326-S330 PolarHBondContact O-N 3.18Å
327S85.5Confident84.3Confident19 Ų1948.4 Ų48.413%0.13325%0.245CC..Hα-helixtrans-67-43.5177.6-169.80000111.9M288 V291 P292 V323 L324 R325 L329 S330M288-S327 PolarHBondContact O-OG 3.31Å; M288-S327 VanDerWaalsContact O-OG 3.07Å; V291-S327 WeakPolarHBondContact CB-OG 3.44Å; P292-S327 WeakPolarHBondContact CG-O 3.15Å; V323-S327 WeakPolarHBondContact O-CB 3.47Å; V323-S327 PolarHBondContact O-N 2.84Å; L324-S327 PolarHBondContact O-N 2.99Å; R325-S327 VanDerWaalsContact C-N 3.29Å; R325-S327 PolarHBondContact O-N 3.46Å; S327-L329 VanDerWaalsContact C-N 3.32Å; S327-L329 PolarHBondContact O-N 3.05Å; S327-S330 VanDerWaalsContact O-CB 3.24Å; S327-S330 WeakPolarHBondContact O-CB 3.34Å; S327-S330 PolarHBondContact O-N 2.95Å; S327-S330 VanDerWaalsContact O-N 3.1Å; S327-S330 PolarHBondContact O-OG 3.45Å
328L87.8Confident84.7Confident12 Ų1246.8 Ų46.86%0.06325%0.245CC..Hα-helixtrans-63.1-37.2178.3-170.960.5000112.6V291 F295 L324 R325 S330 A336 L342V291-L328 HydrophobicContact CG1-CB 4.38Å; F295-L328 HydrophobicContact CB-CD1 4.01Å; F295-L328 HydrophobicContact CD2-CD1 4.15Å; F295-L328 HydrophobicContact CG-CD1 4.09Å; F295-L328 HydrophobicContact CG-CD2 4.5Å; L324-L328 VanDerWaalsContact O-CB 3.26Å; L324-L328 WeakPolarHBondContact O-CB 3.31Å; L324-L328 PolarHBondContact O-N 3.22Å; R325-L328 PolarHBondContact O-N 2.9Å; L328-S330 PolarHBondContact O-N 2.84Å; L328-A336 HydrophobicContact CD1-CB 3.71Å; L328-L342 HydrophobicContact CD2-CD2 3.4Å; L328-L342 HydrophobicContact CG-CD2 4.07Å
329L87.4Confident85.4Confident90 Ų9047.3 Ų47.347%0.47125%0.246SC..THydrogen-bonded Turntrans-77.6-2177.3-67.8174.9000114R325 S327 V331 V333 L342R325-L329 HydrophobicContact CG-CD1 3.88Å; R325-L329 HydrophobicContact CG-CG 4.41Å; R325-L329 WeakPolarHBondContact O-CB 3.48Å; R325-L329 VanDerWaalsContact O-CG 3.28Å; R325-L329 WeakPolarHBondContact O-CG 3.46Å; R325-L329 PolarHBondContact O-N 3.21Å; S327-L329 VanDerWaalsContact C-N 3.32Å; S327-L329 PolarHBondContact O-N 3.05Å; L329-V331 PolarHBondContact O-N 3.15Å; L329-V333 HydrophobicContact CD2-CG2 4.36Å; L329-L342 HydrophobicContact CD2-CD1 4.17Å
330S86.3Confident85.8Confident34 Ų3444.8 Ų44.824%0.23824%0.244CC..THydrogen-bonded Turntrans-73-14.4174.574.80000113.3K326 S327 L328K326-S330 PolarHBondContact O-N 3.18Å; S327-S330 VanDerWaalsContact O-CB 3.24Å; S327-S330 WeakPolarHBondContact O-CB 3.34Å; S327-S330 PolarHBondContact O-N 2.95Å; S327-S330 VanDerWaalsContact O-N 3.1Å; S327-S330 PolarHBondContact O-OG 3.45Å; L328-S330 PolarHBondContact O-N 2.84Å
331V89.1Confident86.3Confident5 Ų546.7 Ų46.73%0.0326%0.255CS..SBendtrans-126.3150.3-179.4-179.60000108.4F218 V222 Y289 P292 L329 V333 A335F218-V331 HydrophobicContact CZ-CG1 4.47Å; V222-V331 HydrophobicContact CB-CG1 4.45Å; V222-V331 HydrophobicContact CG1-CB 4.41Å; V222-V331 HydrophobicContact CG1-CG1 3.82Å; V222-V331 HydrophobicContact CG1-CG2 3.76Å; V222-V331 HydrophobicContact CG2-CG1 3.71Å; V222-V331 HydrophobicContact CG2-CG2 4.4Å; Y289-V331 HydrophobicContact CD1-CG2 3.52Å; Y289-V331 HydrophobicContact CE1-CG2 3.54Å; P292-V331 HydrophobicContact CB-CB 4.3Å; P292-V331 HydrophobicContact CB-CG2 4.12Å; P292-V331 HydrophobicContact CG-CB 4.29Å; P292-V331 HydrophobicContact CG-CG2 3.88Å; L329-V331 PolarHBondContact O-N 3.15Å; V331-V333 PolarHBondContact O-N 2.76Å; V331-A335 HydrophobicContact CG1-CB 3.88Å
332P89.4Confident86.7Confident29 Ų2947.6 Ų47.619%0.18826%0.259CS..  trans-53.7131.9171.8-25.234.5000111.2L226 L229 W334 A335 A336L226-P332 HydrophobicContact CD2-CG 4.2Å; L229-P332 HydrophobicContact CD1-CG 3.87Å; P332-W334 VanDerWaalsContact C-N 3.27Å; P332-W334 HydrophobicContact CB-CD2 4.37Å; P332-W334 HydrophobicContact CB-CG 4.46Å; P332-W334 HydrophobicContact CB-CZ2 4.06Å; P332-W334 VanDerWaalsContact CB-NE1 3.33Å; P332-W334 HydrophobicContact CG-CZ2 4.39Å; P332-W334 PolarHBondContact O-N 3.47Å; P332-A335 HydrophobicContact CB-CB 4.46Å; P332-A335 WeakPolarHBondContact O-CB 3.37Å; P332-A335 PolarHBondContact O-N 2.88Å; P332-A336 PolarHBondContact O-N 3.22Å
333V89.6Confident87.3Confident25 Ų2547.7 Ų47.715%0.15226%0.258CS..Hα-helixtrans-54.6-43.6-172.2177.70000111.8L329 V331 A335 A336 T337 E339 L342L329-V333 HydrophobicContact CD2-CG2 4.36Å; V331-V333 PolarHBondContact O-N 2.76Å; V333-A335 PolarHBondContact O-N 3.21Å; V333-A336 CarbonylContact O-C 3.31Å; V333-A336 WeakPolarHBondContact O-CA 3.23Å; V333-A336 PolarHBondContact O-N 3.04Å; V333-T337 HydrophobicContact CG1-CG2 4.37Å; V333-T337 PolarHBondContact O-N 3.16Å; V333-T337 PolarHBondContact O-OG1 3.44Å; V333-E339 CarbonylContact C-O 3.3Å; V333-L342 HydrophobicContact CG1-CD2 3.68Å; V333-L342 HydrophobicContact CG1-CG 4.04Å; V333-L342 HydrophobicContact CG2-CD2 4.24Å; V333-L342 HydrophobicContact CG2-CG 4.19Å
334W88.5Confident87.7Confident77 Ų7745.8 Ų45.829%0.29225%0.249SC..Hα-helixtrans-61.6-28178.461.4-99.5000113.8Y221 V225 L229 V237 H241 P332 G338 E339Y221-W334 WeakPolarHBondContact OH-CZ3 3.32Å; V225-W334 HydrophobicContact CB-CH2 4.46Å; V225-W334 HydrophobicContact CG1-CH2 3.44Å; V225-W334 VanDerWaalsContact CG1-CH2 3.44Å; V225-W334 HydrophobicContact CG1-CZ2 3.68Å; V225-W334 HydrophobicContact CG2-CH2 4.13Å; L229-W334 HydrophobicContact CD1-CZ2 4.37Å; V237-W334 HydrophobicContact CG1-CH2 3.4Å; V237-W334 VanDerWaalsContact CG1-CH2 3.4Å; V237-W334 HydrophobicContact CG1-CZ2 3.83Å; V237-W334 HydrophobicContact CG1-CZ3 4.37Å; H241-W334 HydrophobicContact CB-CZ3 4.38Å; H241-W334 AromaticContact ND1-CZ3 3.75Å; P332-W334 VanDerWaalsContact C-N 3.27Å; P332-W334 HydrophobicContact CB-CD2 4.37Å; P332-W334 HydrophobicContact CB-CG 4.46Å; P332-W334 HydrophobicContact CB-CZ2 4.06Å; P332-W334 VanDerWaalsContact CB-NE1 3.33Å; P332-W334 HydrophobicContact CG-CZ2 4.39Å; P332-W334 PolarHBondContact O-N 3.47Å; W334-G338 WeakPolarHBondContact O-CA 3.39Å; W334-G338 PolarHBondContact O-N 3.15Å; W334-E339 WeakPolarHBondContact CA-O 3.4Å; W334-E339 WeakPolarHBondContact CB-O 3.45Å; W334-E339 PolarHBondContact N-O 3.32Å; W334-E339 VanDerWaalsContact N-O 3.09Å
335A88.1Confident88.1Confident0 Ų045.5 Ų45.50%025%0.249CC..Hα-helixtrans-76.1-30.617500000111.6Y221 V331 P332 V333Y221-A335 HydrophobicContact CE1-CB 3.99Å; Y221-A335 WeakPolarHBondContact OH-CB 3.46Å; V331-A335 HydrophobicContact CG1-CB 3.88Å; P332-A335 HydrophobicContact CB-CB 4.46Å; P332-A335 WeakPolarHBondContact O-CB 3.37Å; P332-A335 PolarHBondContact O-N 2.88Å; V333-A335 PolarHBondContact O-N 3.21Å
336A89.4Confident88.5Confident0 Ų043 Ų430%024%0.241CC..Hα-helixtrans-86.2-31.717900000113.5P292 F295 R296 L328 P332 V333P292-A336 HydrophobicContact CB-CB 3.89Å; F295-A336 CarbonylContact C-O 3.12Å; F295-A336 VanDerWaalsContact C-O 3.23Å; R296-A336 WeakPolarHBondContact CA-O 3.49Å; R296-A336 VanDerWaalsContact CB-O 3.23Å; R296-A336 WeakPolarHBondContact CB-O 3.35Å; R296-A336 PolarHBondContact N-O 3.34Å; L328-A336 HydrophobicContact CD1-CB 3.71Å; P332-A336 PolarHBondContact O-N 3.22Å; V333-A336 CarbonylContact O-C 3.31Å; V333-A336 WeakPolarHBondContact O-CA 3.23Å; V333-A336 PolarHBondContact O-N 3.04Å
337T89.2Confident88.9Confident7 Ų737 Ų374%0.04322%0.216CC..Hα-helixtrans-122.3-14.8-173.663.70000113.5A299 V333 E339 A345A299-T337 WeakPolarHBondContact CB-O 3.46Å; V333-T337 HydrophobicContact CG1-CG2 4.37Å; V333-T337 PolarHBondContact O-N 3.16Å; V333-T337 PolarHBondContact O-OG1 3.44Å; T337-E339 PolarHBondContact OG1-N 3.28Å; T337-E339 PolarHBondContact OG1-O 2.84Å; T337-A345 VanDerWaalsContact CB-CB 3.49Å; T337-A345 HydrophobicContact CG2-CB 3.69Å
338G85.4Confident89.1Confident36 Ų3640.1 Ų40.137%0.37123%0.231SC..SBendtrans82.9-7.3-168.900000114.1W334W334-G338 WeakPolarHBondContact O-CA 3.39Å; W334-G338 PolarHBondContact O-N 3.15Å
339E88.7Confident89.3Confident64 Ų6440.3 Ų40.330%0.29923%0.232SC..SBendtrans-114151.9-175.5-69.7-60.7156.400112.2V333 W334 T337 N341 A345 N348V333-E339 CarbonylContact C-O 3.3Å; W334-E339 WeakPolarHBondContact CA-O 3.4Å; W334-E339 WeakPolarHBondContact CB-O 3.45Å; W334-E339 PolarHBondContact N-O 3.32Å; W334-E339 VanDerWaalsContact N-O 3.09Å; T337-E339 PolarHBondContact OG1-N 3.28Å; T337-E339 PolarHBondContact OG1-O 2.84Å; E339-N341 PolarHBondContact O-N 3.38Å; E339-A345 HydrophobicContact CB-CB 3.97Å; E339-A345 HydrophobicContact CG-CB 4.27Å; E339-N348 PolarHBondContact OE1-ND2 2.78Å
340S86.7Confident89.5Confident93 Ų9336.3 Ų36.365%0.6521%0.212SC*.SBendtrans-62.9-29.3-178.762.10000113.6
341N89.4Confident89.7Confident73 Ų7338.7 Ų38.739%0.3923%0.233SC..SBendtrans-143160.6-176.466.270.7000111.9E339 T343 G344 A345E339-N341 PolarHBondContact O-N 3.38Å; N341-T343 VanDerWaalsContact C-N 3.3Å; N341-T343 PolarHBondContact O-N 3.39Å; N341-T343 WeakPolarHBondContact OD1-CB 3.3Å; N341-T343 PolarHBondContact OD1-N 3.44Å; N341-G344 PolarHBondContact OD1-N 2.98Å; N341-A345 WeakPolarHBondContact O-CB 3.23Å; N341-A345 PolarHBondContact O-N 3.16Å; N341-A345 VanDerWaalsContact O-N 3.07Å
342L89.7Confident89.7Confident61 Ų6140.8 Ų40.832%0.31925%0.249SC..Hα-helixtrans-68.4-29.2-175.5-68175.5000113L328 L329 V333 A345 F346L328-L342 HydrophobicContact CD2-CD2 3.4Å; L328-L342 HydrophobicContact CG-CD2 4.07Å; L329-L342 HydrophobicContact CD2-CD1 4.17Å; V333-L342 HydrophobicContact CG1-CD2 3.68Å; V333-L342 HydrophobicContact CG1-CG 4.04Å; V333-L342 HydrophobicContact CG2-CD2 4.24Å; V333-L342 HydrophobicContact CG2-CG 4.19Å; L342-A345 WeakPolarHBondContact O-CB 3.16Å; L342-F346 WeakPolarHBondContact O-CB 3.31Å; L342-F346 PolarHBondContact O-N 3.31Å
343T90.1Very high89.9Confident51 Ų5140.4 Ų40.431%0.31325%0.245SC..Hα-helixtrans-68.3-50.1179.2-51.70000110.7N341 A345 F346 I347 L391 S394N341-T343 VanDerWaalsContact C-N 3.3Å; N341-T343 PolarHBondContact O-N 3.39Å; N341-T343 WeakPolarHBondContact OD1-CB 3.3Å; N341-T343 PolarHBondContact OD1-N 3.44Å; T343-A345 VanDerWaalsContact C-N 3.33Å; T343-A345 PolarHBondContact O-N 3.45Å; T343-F346 PolarHBondContact O-N 3.32Å; T343-I347 HydrophobicContact CG2-CD1 4.19Å; T343-I347 WeakPolarHBondContact O-CG1 3.43Å; T343-I347 PolarHBondContact O-N 3.33Å; T343-L391 HydrophobicContact CG2-CD1 3.8Å; T343-S394 VanDerWaalsContact CG2-CB 3.42Å
344G89.7Confident89.9Confident16 Ų1642.7 Ų42.717%0.16526%0.256CS..Hα-helixtrans-61.8-40.7174.800000111.9N341 F346 I347 N348N341-G344 PolarHBondContact OD1-N 2.98Å; G344-F346 VanDerWaalsContact C-N 3.35Å; G344-F346 PolarHBondContact O-N 3.25Å; G344-I347 PolarHBondContact O-N 3.32Å; G344-N348 WeakPolarHBondContact O-CB 3.18Å; G344-N348 PolarHBondContact O-N 2.71Å
345A91.8Very high89.9Confident4 Ų443.2 Ų43.23%0.03327%0.271CS..Hα-helixtrans-55.2-49.3172.400000112.1T337 E339 N341 L342 T343 N348 I349T337-A345 VanDerWaalsContact CB-CB 3.49Å; T337-A345 HydrophobicContact CG2-CB 3.69Å; E339-A345 HydrophobicContact CB-CB 3.97Å; E339-A345 HydrophobicContact CG-CB 4.27Å; N341-A345 WeakPolarHBondContact O-CB 3.23Å; N341-A345 PolarHBondContact O-N 3.16Å; N341-A345 VanDerWaalsContact O-N 3.07Å; L342-A345 WeakPolarHBondContact O-CB 3.16Å; T343-A345 VanDerWaalsContact C-N 3.33Å; T343-A345 PolarHBondContact O-N 3.45Å; A345-N348 PolarHBondContact O-N 3.49Å; A345-I349 WeakPolarHBondContact O-CB 3.45Å; A345-I349 WeakPolarHBondContact O-CD1 3.36Å; A345-I349 WeakPolarHBondContact O-CG1 3.49Å; A345-I349 PolarHBondContact O-N 2.97Å
346F92.7Very high89.9Confident49 Ų4947.7 Ų47.722%0.21530%0.299CS..Hα-helixtrans-63.5-44.9179.9-179.4-84.6000111.9L342 T343 G344 N348 I349 A350 V361 Y362 L365 L391 N395L342-F346 WeakPolarHBondContact O-CB 3.31Å; L342-F346 PolarHBondContact O-N 3.31Å; T343-F346 PolarHBondContact O-N 3.32Å; G344-F346 VanDerWaalsContact C-N 3.35Å; G344-F346 PolarHBondContact O-N 3.25Å; F346-N348 PolarHBondContact O-N 3.23Å; F346-I349 PolarHBondContact O-N 2.92Å; F346-A350 HydrophobicContact CD1-CB 4.48Å; F346-A350 HydrophobicContact CE1-CB 4.27Å; F346-A350 WeakPolarHBondContact O-CB 3.33Å; F346-A350 PolarHBondContact O-N 3.21Å; F346-V361 HydrophobicContact CE2-CG1 3.89Å; F346-V361 HydrophobicContact CZ-CG1 3.74Å; F346-Y362 AromaticContact CE1-CE1 3.96Å; F346-Y362 HydrophobicContact CE1-CE1 3.96Å; F346-Y362 HydrophobicContact CZ-CE1 4.39Å; F346-L365 HydrophobicContact CE1-CD2 4.17Å; F346-L365 HydrophobicContact CZ-CD2 4.05Å; F346-L391 HydrophobicContact CB-CD1 3.98Å; F346-L391 HydrophobicContact CD1-CD1 3.82Å; F346-L391 HydrophobicContact CD1-CD2 4.06Å; F346-L391 HydrophobicContact CD1-CG 4.05Å; F346-L391 HydrophobicContact CD2-CD2 4.03Å; F346-L391 HydrophobicContact CE1-CD2 4.23Å; F346-L391 HydrophobicContact CE1-CG 4.31Å; F346-L391 HydrophobicContact CE2-CD2 4.21Å; F346-L391 HydrophobicContact CG-CD1 3.97Å; F346-L391 HydrophobicContact CG-CD2 3.94Å; F346-L391 HydrophobicContact CG-CG 4.32Å; F346-L391 HydrophobicContact CZ-CD2 4.3Å; F346-N395 WeakPolarHBondContact CD1-ND2 3.46Å
347I91.4Very high90Very high33 Ų3348 Ų4817%0.16930%0.301CS..Hα-helixtrans-59.3-48.2179.1-67.8164.5000110.3T343 G344 A350 A351 A398T343-I347 HydrophobicContact CG2-CD1 4.19Å; T343-I347 WeakPolarHBondContact O-CG1 3.43Å; T343-I347 PolarHBondContact O-N 3.33Å; G344-I347 PolarHBondContact O-N 3.32Å; I347-A350 PolarHBondContact O-N 3Å; I347-A351 WeakPolarHBondContact O-CB 3.41Å; I347-A351 PolarHBondContact O-N 3.48Å; I347-A398 HydrophobicContact CD1-CB 4.38Å; I347-A398 HydrophobicContact CG2-CB 3.96Å
348N90.2Very high90.2Very high83 Ų8347.8 Ų47.844%0.44430%0.299SS..Hα-helixtrans-68-41.2-178.4-71.9-8.1000112.2E339 G344 A345 F346 A351 S352E339-N348 PolarHBondContact OE1-ND2 2.78Å; G344-N348 WeakPolarHBondContact O-CB 3.18Å; G344-N348 PolarHBondContact O-N 2.71Å; A345-N348 PolarHBondContact O-N 3.49Å; F346-N348 PolarHBondContact O-N 3.23Å; N348-A351 PolarHBondContact O-N 2.9Å; N348-S352 PolarHBondContact O-N 2.86Å
349I93.2Very high90.4Very high16 Ų1648.4 Ų48.48%0.08230%0.298CS..Hα-helixtrans-61.1-50.7173.5-70.3165.9000109.7I298 A299 L309 A345 F346 A351 S352 L353I298-I349 HydrophobicContact CG2-CD1 3.98Å; I298-I349 HydrophobicContact CG2-CG1 4.22Å; I298-I349 HydrophobicContact CG2-CG2 3.63Å; A299-I349 HydrophobicContact CB-CD1 4.27Å; A299-I349 HydrophobicContact CB-CG1 4.25Å; L309-I349 HydrophobicContact CD1-CG2 3.79Å; A345-I349 WeakPolarHBondContact O-CB 3.45Å; A345-I349 WeakPolarHBondContact O-CD1 3.36Å; A345-I349 WeakPolarHBondContact O-CG1 3.49Å; A345-I349 PolarHBondContact O-N 2.97Å; F346-I349 PolarHBondContact O-N 2.92Å; I349-A351 VanDerWaalsContact C-N 3.29Å; I349-A351 PolarHBondContact O-N 3.34Å; I349-S352 WeakPolarHBondContact O-CB 3.41Å; I349-S352 PolarHBondContact O-N 3.36Å; I349-S352 PolarHBondContact O-OG 3.43Å; I349-L353 WeakPolarHBondContact O-CG 3.31Å
350A91.4Very high90.5Very high7 Ų748.3 Ų48.36%0.05830%0.298CS..Hα-helixtrans-62.3-35.7-177.600000112.6F346 I347 S352 L353 Y362F346-A350 HydrophobicContact CD1-CB 4.48Å; F346-A350 HydrophobicContact CE1-CB 4.27Å; F346-A350 WeakPolarHBondContact O-CB 3.33Å; F346-A350 PolarHBondContact O-N 3.21Å; I347-A350 PolarHBondContact O-N 3Å; A350-S352 PolarHBondContact O-N 2.81Å; A350-L353 PolarHBondContact O-N 3.3Å; A350-Y362 WeakPolarHBondContact CB-OH 3.48Å
351A89.2Confident90.9Very high83 Ų8344.5 Ų44.569%0.68627%0.271SS*.Hα-helixtrans-65.4-25.6174.300000113.3I347 N348 I349I347-A351 WeakPolarHBondContact O-CB 3.41Å; I347-A351 PolarHBondContact O-N 3.48Å; N348-A351 PolarHBondContact O-N 2.9Å; I349-A351 VanDerWaalsContact C-N 3.29Å; I349-A351 PolarHBondContact O-N 3.34Å
352S90.3Very high91Very high50 Ų5041.8 Ų41.835%0.3526%0.255SS..THydrogen-bonded Turntrans-85.4-7.7178.578.50000114.5S302 N348 I349 A350S302-S352 WeakPolarHBondContact CB-O 3.43Å; N348-S352 PolarHBondContact O-N 2.86Å; I349-S352 WeakPolarHBondContact O-CB 3.41Å; I349-S352 PolarHBondContact O-N 3.36Å; I349-S352 PolarHBondContact O-OG 3.43Å; A350-S352 PolarHBondContact O-N 2.81Å
353L93.6Very high91.1Very high21 Ų2141.1 Ų41.111%0.1125%0.252CS..SBendtrans-79.2155.9-176-58.5179.6000112.4A305 L309 I349 A350 T357 A358 V361A305-L353 HydrophobicContact CB-CD2 3.62Å; L309-L353 HydrophobicContact CD1-CD1 3.77Å; L309-L353 HydrophobicContact CD1-CD2 3.75Å; L309-L353 HydrophobicContact CD1-CG 4.35Å; I349-L353 WeakPolarHBondContact O-CG 3.31Å; A350-L353 PolarHBondContact O-N 3.3Å; L353-T357 HydrophobicContact CD1-CG2 4.37Å; L353-A358 HydrophobicContact CB-CB 4.04Å; L353-V361 HydrophobicContact CD1-CG2 4.08Å
354N90.2Very high91.1Very high72 Ų7241.7 Ų41.739%0.38525%0.25SC..  trans-71.4161.2166.669.534.6000110.7N306 V356 T357 A358N306-N354 PolarHBondContact OD1-N 3.21Å; N306-N354 PolarHBondContact OD1-ND2 3.37Å; N306-N354 PolarHBondContact OD1-OD1 2.88Å; N354-V356 VanDerWaalsContact C-N 3.28Å; N354-V356 PolarHBondContact O-N 3.48Å; N354-V356 PolarHBondContact OD1-N 3.33Å; N354-T357 PolarHBondContact O-N 3Å; N354-T357 VanDerWaalsContact OD1-CB 3.28Å; N354-T357 WeakPolarHBondContact OD1-CB 3.11Å; N354-T357 PolarHBondContact OD1-N 3.39Å; N354-T357 PolarHBondContact OD1-OG1 2.96Å; N354-A358 VanDerWaalsContact O-CB 3.27Å; N354-A358 WeakPolarHBondContact O-CB 3.36Å; N354-A358 PolarHBondContact O-N 2.97Å
355S87.6Confident91.2Very high88 Ų8841.5 Ų41.562%0.61525%0.245SC*.Hα-helixtrans-59.2-36.2-174.156.60000113.8S359S355-S359 VanDerWaalsContact O-CB 3.3Å; S355-S359 WeakPolarHBondContact O-CB 3.31Å; S355-S359 PolarHBondContact O-N 3.33Å; S355-S359 VanDerWaalsContact O-N 3.08Å
356V89Confident91.2Very high95 Ų9541.5 Ų41.558%0.57624%0.244SC*.Hα-helixtrans-68.6-49.6-178.9-179.50000110.8N354 S359 Q360N354-V356 VanDerWaalsContact C-N 3.28Å; N354-V356 PolarHBondContact O-N 3.48Å; N354-V356 PolarHBondContact OD1-N 3.33Å; V356-S359 WeakPolarHBondContact O-CB 3.49Å; V356-S359 PolarHBondContact O-N 2.68Å; V356-Q360 PolarHBondContact O-N 2.8Å
357T91.1Very high91Very high6 Ų641.3 Ų41.34%0.03725%0.245CC..Hα-helixtrans-70.3-42.4-177.7-46.90000110.9N306 L309 V310 L353 N354 S359 Q360 V361N306-T357 WeakPolarHBondContact OD1-CB 3.48Å; N306-T357 PolarHBondContact OD1-OG1 2.86Å; L309-T357 HydrophobicContact CB-CG2 4.27Å; V310-T357 HydrophobicContact CG2-CG2 3.7Å; L353-T357 HydrophobicContact CD1-CG2 4.37Å; N354-T357 PolarHBondContact O-N 3Å; N354-T357 VanDerWaalsContact OD1-CB 3.28Å; N354-T357 WeakPolarHBondContact OD1-CB 3.11Å; N354-T357 PolarHBondContact OD1-N 3.39Å; N354-T357 PolarHBondContact OD1-OG1 2.96Å; T357-S359 VanDerWaalsContact C-N 3.26Å; T357-S359 PolarHBondContact O-N 2.79Å; T357-Q360 PolarHBondContact O-N 2.81Å; T357-Q360 VanDerWaalsContact O-N 3.16Å; T357-V361 HydrophobicContact CG2-CG2 4.44Å; T357-V361 WeakPolarHBondContact O-CG2 3.45Å; T357-V361 PolarHBondContact O-N 2.96Å
358A92.3Very high90.8Very high2 Ų241 Ų412%0.01724%0.244CC..Hα-helixtrans-56-43.917400000111.3L353 N354 Q360 V361 Y362 P415L353-A358 HydrophobicContact CB-CB 4.04Å; N354-A358 VanDerWaalsContact O-CB 3.27Å; N354-A358 WeakPolarHBondContact O-CB 3.36Å; N354-A358 PolarHBondContact O-N 2.97Å; A358-Q360 PolarHBondContact O-N 3.48Å; A358-V361 PolarHBondContact O-N 3.03Å; A358-Y362 HydrophobicContact CB-CD2 4.38Å; A358-Y362 HydrophobicContact CB-CE2 4.31Å; A358-Y362 WeakPolarHBondContact O-CB 3.02Å; A358-Y362 WeakPolarHBondContact O-CD2 3.33Å; A358-Y362 PolarHBondContact O-N 3.35Å; A358-P415 HydrophobicContact CB-CB 3.82Å; A358-P415 HydrophobicContact CB-CG 3.75Å
359S90.6Very high90.8Very high50 Ų5037 Ų3735%0.3522%0.223SC..Hα-helixtrans-59.1-45.3176.9-171.50000112.2S355 V356 T357 Y362 D363S355-S359 VanDerWaalsContact O-CB 3.3Å; S355-S359 WeakPolarHBondContact O-CB 3.31Å; S355-S359 PolarHBondContact O-N 3.33Å; S355-S359 VanDerWaalsContact O-N 3.08Å; V356-S359 WeakPolarHBondContact O-CB 3.49Å; V356-S359 PolarHBondContact O-N 2.68Å; T357-S359 VanDerWaalsContact C-N 3.26Å; T357-S359 PolarHBondContact O-N 2.79Å; S359-Y362 PolarHBondContact O-N 3.11Å; S359-D363 VanDerWaalsContact O-CB 3.23Å; S359-D363 WeakPolarHBondContact O-CB 3.4Å; S359-D363 PolarHBondContact O-N 2.98Å
360Q91.2Very high90.4Very high62 Ų6236.7 Ų36.729%0.2922%0.221SC..Hα-helixtrans-64.3-42.2177.5-68.5179-6.300112.7V313 V356 T357 A358 D363 K364V313-Q360 HydrophobicContact CG1-CB 4.37Å; V356-Q360 PolarHBondContact O-N 2.8Å; T357-Q360 PolarHBondContact O-N 2.81Å; T357-Q360 VanDerWaalsContact O-N 3.16Å; A358-Q360 PolarHBondContact O-N 3.48Å; Q360-D363 PolarHBondContact O-N 2.82Å; Q360-K364 PolarHBondContact O-N 3.37Å
361V93.1Very high89.7Confident13 Ų1340.9 Ų40.98%0.07924%0.239CC..Hα-helixtrans-62.1-48.5177.2171.70000110.6L309 V313 F346 L353 T357 A358 K364 L365L309-V361 HydrophobicContact CB-CG2 4.15Å; L309-V361 HydrophobicContact CD1-CG2 4.4Å; V313-V361 HydrophobicContact CG2-CB 4.31Å; V313-V361 HydrophobicContact CG2-CG2 3.71Å; F346-V361 HydrophobicContact CE2-CG1 3.89Å; F346-V361 HydrophobicContact CZ-CG1 3.74Å; L353-V361 HydrophobicContact CD1-CG2 4.08Å; T357-V361 HydrophobicContact CG2-CG2 4.44Å; T357-V361 WeakPolarHBondContact O-CG2 3.45Å; T357-V361 PolarHBondContact O-N 2.96Å; A358-V361 PolarHBondContact O-N 3.03Å; V361-K364 PolarHBondContact O-N 3.47Å; V361-L365 WeakPolarHBondContact O-CB 3.33Å; V361-L365 PolarHBondContact O-N 3.2Å
362Y93.5Very high88.6Confident15 Ų1538.9 Ų38.96%0.05922%0.22CC..Hα-helixtrans-69.4-34.7178.9-71.7-55.6000112.7F346 A350 A358 S359 K364 L365 L366 N395 P415 L416F346-Y362 AromaticContact CE1-CE1 3.96Å; F346-Y362 HydrophobicContact CE1-CE1 3.96Å; F346-Y362 HydrophobicContact CZ-CE1 4.39Å; A350-Y362 WeakPolarHBondContact CB-OH 3.48Å; A358-Y362 HydrophobicContact CB-CD2 4.38Å; A358-Y362 HydrophobicContact CB-CE2 4.31Å; A358-Y362 WeakPolarHBondContact O-CB 3.02Å; A358-Y362 WeakPolarHBondContact O-CD2 3.33Å; A358-Y362 PolarHBondContact O-N 3.35Å; S359-Y362 PolarHBondContact O-N 3.11Å; Y362-K364 VanDerWaalsContact C-N 3.34Å; Y362-K364 PolarHBondContact O-N 3.32Å; Y362-L365 HydrophobicContact CD1-CD2 4.15Å; Y362-L365 PolarHBondContact O-N 3.38Å; Y362-L366 WeakPolarHBondContact O-CB 3.32Å; Y362-L366 VanDerWaalsContact O-CG 3.27Å; Y362-L366 WeakPolarHBondContact O-CG 3.33Å; Y362-L366 PolarHBondContact O-N 2.9Å; Y362-N395 PolarHBondContact OH-OD1 2.88Å; Y362-P415 HydrophobicContact CD2-CB 3.94Å; Y362-P415 HydrophobicContact CE2-CB 4.12Å; Y362-L416 HydrophobicContact CD1-CB 3.88Å; Y362-L416 HydrophobicContact CD1-CD1 3.69Å; Y362-L416 HydrophobicContact CD1-CD2 4.29Å; Y362-L416 HydrophobicContact CD1-CG 4.15Å; Y362-L416 HydrophobicContact CD2-CB 3.9Å; Y362-L416 HydrophobicContact CE1-CB 3.9Å; Y362-L416 HydrophobicContact CE1-CD1 4.3Å; Y362-L416 HydrophobicContact CE1-CD2 4.06Å; Y362-L416 HydrophobicContact CE1-CG 4.31Å; Y362-L416 HydrophobicContact CE2-CB 3.94Å; Y362-L416 HydrophobicContact CG-CB 3.87Å; Y362-L416 HydrophobicContact CG-CD1 3.99Å; Y362-L416 HydrophobicContact CG-CG 4.48Å
363D91.2Very high87.2Confident48 Ų4840.6 Ų40.626%0.25723%0.23SC..Hα-helixtrans-59.7-47.5173.6-170.955.3000110.8S359 Q360 L365 L366 N367 R419S359-D363 VanDerWaalsContact O-CB 3.23Å; S359-D363 WeakPolarHBondContact O-CB 3.4Å; S359-D363 PolarHBondContact O-N 2.98Å; Q360-D363 PolarHBondContact O-N 2.82Å; D363-L365 VanDerWaalsContact C-N 3.35Å; D363-L365 PolarHBondContact O-N 2.73Å; D363-L366 PolarHBondContact O-N 3.43Å; D363-N367 WeakPolarHBondContact O-CB 3.41Å; D363-N367 PolarHBondContact O-N 2.86Å; D363-N367 PolarHBondContact O-ND2 3.36Å; D363-N367 PolarHBondContact O-OD1 2.71Å; D363-R419 IonicContact OD1-CZ 3.6Å; D363-R419 IonicContact OD1-NE 3.12Å; D363-R419 PolarHBondContact OD1-NE 2.73Å; D363-R419 IonicContact OD1-NH2 2.69Å; D363-R419 PolarHBondContact OD1-NH2 2.7Å
364K90.2Very high85.3Confident63 Ų6342.5 Ų42.527%0.27425%0.249SC..Hα-helixtrans-63.2-40.6175.9-170.165.6175.5-165.60112.5V313 A316 Q360 V361 Y362 N367 L368V313-K364 HydrophobicContact CG1-CB 3.8Å; V313-K364 HydrophobicContact CG1-CG 4.17Å; A316-K364 WeakPolarHBondContact O-CE 3.44Å; A316-K364 PolarHBondContact O-NZ 2.89Å; Q360-K364 PolarHBondContact O-N 3.37Å; V361-K364 PolarHBondContact O-N 3.47Å; Y362-K364 VanDerWaalsContact C-N 3.34Å; Y362-K364 PolarHBondContact O-N 3.32Å; K364-N367 PolarHBondContact O-N 3.44Å; K364-L368 HydrophobicContact CG-CD1 4.36Å; K364-L368 WeakPolarHBondContact O-CG 3.31Å; K364-L368 PolarHBondContact O-N 3.4Å
365L92Very high83.4Confident12 Ų1245.1 Ų45.16%0.06327%0.268CS..Hα-helixtrans-61-47.3176.7179.264.4000111.5F346 V361 Y362 D363 L368 A369 C388 L391F346-L365 HydrophobicContact CE1-CD2 4.17Å; F346-L365 HydrophobicContact CZ-CD2 4.05Å; V361-L365 WeakPolarHBondContact O-CB 3.33Å; V361-L365 PolarHBondContact O-N 3.2Å; Y362-L365 HydrophobicContact CD1-CD2 4.15Å; Y362-L365 PolarHBondContact O-N 3.38Å; D363-L365 VanDerWaalsContact C-N 3.35Å; D363-L365 PolarHBondContact O-N 2.73Å; L365-L368 PolarHBondContact O-N 3.43Å; L365-A369 VanDerWaalsContact O-CB 3.32Å; L365-A369 WeakPolarHBondContact O-CB 3.49Å; L365-A369 PolarHBondContact O-N 2.97Å; L365-C388 HydrophobicContact CD1-CB 3.85Å; L365-L391 HydrophobicContact CD1-CD2 3.92Å; L365-L391 HydrophobicContact CD1-CG 4.46Å; L365-L391 HydrophobicContact CD2-CD2 4.48Å; L365-L391 HydrophobicContact CD2-CG 4.45Å
366L92.1Very high81.7Confident3 Ų342.5 Ų42.52%0.01625%0.254CS..Hα-helixtrans-65.9-40.5179.6-69.7173.9000111.6Y362 D363 L368 A369 F370 T392 L416 R419 I420 L426 M442Y362-L366 WeakPolarHBondContact O-CB 3.32Å; Y362-L366 VanDerWaalsContact O-CG 3.27Å; Y362-L366 WeakPolarHBondContact O-CG 3.33Å; Y362-L366 PolarHBondContact O-N 2.9Å; D363-L366 PolarHBondContact O-N 3.43Å; L366-L368 VanDerWaalsContact C-N 3.31Å; L366-L368 PolarHBondContact O-N 3.28Å; L366-A369 PolarHBondContact O-N 3.46Å; L366-F370 HydrophobicContact CD2-CD2 3.92Å; L366-F370 HydrophobicContact CD2-CE2 3.76Å; L366-F370 PolarHBondContact O-N 2.92Å; L366-T392 HydrophobicContact CD2-CG2 4.02Å; L366-L416 HydrophobicContact CD1-CD1 4.22Å; L366-L416 HydrophobicContact CD2-CD1 4.18Å; L366-L416 HydrophobicContact CG-CD1 4.27Å; L366-R419 HydrophobicContact CD1-CB 4.27Å; L366-R419 HydrophobicContact CD1-CG 3.69Å; L366-I420 HydrophobicContact CD1-CG1 3.85Å; L366-I420 HydrophobicContact CD2-CD1 4.39Å; L366-I420 HydrophobicContact CD2-CG1 4.18Å; L366-L426 HydrophobicContact CB-CD1 4.33Å; L366-M442 HydrophobicContact CD2-CE 4.44Å
367N88.6Confident80.2Confident45 Ų4541.8 Ų41.824%0.24125%0.253CS..Iπ-helixtrans-62.4-40.1176.2-66.3-15.7000111.5D363 K364 E371 S372D363-N367 WeakPolarHBondContact O-CB 3.41Å; D363-N367 PolarHBondContact O-N 2.86Å; D363-N367 PolarHBondContact O-ND2 3.36Å; D363-N367 PolarHBondContact O-OD1 2.71Å; K364-N367 PolarHBondContact O-N 3.44Å; N367-E371 PolarHBondContact O-N 2.87Å; N367-E371 PolarHBondContact OD1-OE2 3.39Å; N367-S372 PolarHBondContact O-N 3.03Å
368L87.2Confident78.7Confident26 Ų2648.5 Ų48.514%0.13628%0.284CS..Iπ-helixtrans-70.8-33.7174.5-71.2173.6000112.7L321 K364 L365 L366 L384 Q385L321-L368 HydrophobicContact CD1-CD1 3.76Å; K364-L368 HydrophobicContact CG-CD1 4.36Å; K364-L368 WeakPolarHBondContact O-CG 3.31Å; K364-L368 PolarHBondContact O-N 3.4Å; L365-L368 PolarHBondContact O-N 3.43Å; L366-L368 VanDerWaalsContact C-N 3.31Å; L366-L368 PolarHBondContact O-N 3.28Å; L368-L384 HydrophobicContact CD2-CD2 4.34Å; L368-Q385 VanDerWaalsContact O-CG 3.31Å; L368-Q385 WeakPolarHBondContact O-CG 3.46Å
369A88.1Confident77.5Confident0 Ų056.5 Ų56.50%032%0.322CS..Iπ-helixtrans-78.1-39.6-178.800000113.4L365 L366 C388 V389 R438L365-A369 VanDerWaalsContact O-CB 3.32Å; L365-A369 WeakPolarHBondContact O-CB 3.49Å; L365-A369 PolarHBondContact O-N 2.97Å; L366-A369 PolarHBondContact O-N 3.46Å; A369-C388 HydrophobicContact CB-CB 3.75Å; A369-V389 HydrophobicContact CB-CG2 4Å; A369-R438 PolarHBondContact O-NH2 2.89Å
370F86.4Confident76.6Confident9 Ų957.3 Ų57.34%0.03933%0.327CS..Iπ-helixtrans-123.8-31.2-165-60.3-80.6000115.3L366 V389 T392 L426 S430 R438 M442L366-F370 HydrophobicContact CD2-CD2 3.92Å; L366-F370 HydrophobicContact CD2-CE2 3.76Å; L366-F370 PolarHBondContact O-N 2.92Å; F370-V389 HydrophobicContact CE1-CG2 4.27Å; F370-V389 HydrophobicContact CZ-CG2 4.16Å; F370-T392 HydrophobicContact CE2-CG2 4.47Å; F370-L426 HydrophobicContact CB-CD1 4.07Å; F370-L426 HydrophobicContact CB-CG 4.31Å; F370-S430 VanDerWaalsContact CD1-OG 3.27Å; F370-S430 WeakPolarHBondContact CD1-OG 3.33Å; F370-R438 HydrophobicContact CD1-CB 4.33Å; F370-R438 HydrophobicContact CD1-CG 4.11Å; F370-R438 HydrophobicContact CE1-CB 3.88Å; F370-R438 HydrophobicContact CE1-CG 3.84Å; F370-M442 HydrophobicContact CD1-CE 3.91Å; F370-M442 HydrophobicContact CD2-CE 3.66Å; F370-M442 HydrophobicContact CE1-CE 3.55Å; F370-M442 HydrophobicContact CE1-CG 4.12Å; F370-M442 HydrophobicContact CE2-CE 3.31Å; F370-M442 HydrophobicContact CG-CE 3.98Å; F370-M442 HydrophobicContact CZ-CE 3.26Å; F370-M442 HydrophobicContact CZ-CG 4.39Å
371E76.7Confident75.9Confident96 Ų9654.9 Ų54.945%0.44932%0.316SS..Iπ-helixtrans-100.5-33.3-170.6-60.6-165.7164.500114.7N367 L426N367-E371 PolarHBondContact O-N 2.87Å; N367-E371 PolarHBondContact OD1-OE2 3.39Å; E371-L426 HydrophobicContact CG-CD1 3.77Å; E371-L426 WeakPolarHBondContact OE1-CD1 3.37Å
372S66.4Low75.2Confident41 Ų4156.7 Ų56.729%0.28733%0.332SS..  trans-59.9122.6-171.9-1750000112.2N367 Q385N367-S372 PolarHBondContact O-N 3.03Å; S372-Q385 PolarHBondContact O-NE2 3.44Å
373P60.7Low74.7Confident86 Ų8660.5 Ų60.556%0.55835%0.35SS*.  trans-67.2141.1177.226.8-32.6000110.4T375 L381P373-T375 HydrophobicContact CB-CG2 4.2Å; P373-T375 HydrophobicContact CG-CG2 4.5Å; P373-T375 PolarHBondContact O-N 2.97Å; P373-L381 WeakPolarHBondContact O-CD2 3.07Å
374A52.6Low74.3Confident61 Ų6159.3 Ų59.350%0.50434%0.344SS..SBendtrans-71.369.7175.800000112.1L381A374-L381 HydrophobicContact CB-CD2 4.31Å
375T51.4Low74.2Confident127 Ų12757.2 Ų57.278%0.77934%0.335SS*.  trans-110.7-6.3178.854.20000113.4P373P373-T375 HydrophobicContact CB-CG2 4.2Å; P373-T375 HydrophobicContact CG-CG2 4.5Å; P373-T375 PolarHBondContact O-N 2.97Å
376G51.8Low74Confident32 Ų3262.6 Ų62.633%0.3336%0.358SS..SBendtrans-80.5179.4166.400000111.8E378G376-E378 WeakPolarHBondContact O-CA 3.42Å; G376-E378 PolarHBondContact O-N 3.33Å
377S57Low73.8Confident80 Ų8065.3 Ų65.356%0.55937%0.371SS*.  trans-50.6109.5169.7500000108.8E379 S380 L381S377-E379 PolarHBondContact O-N 3.34Å; S377-S380 PolarHBondContact O-N 3.23Å; S377-L381 PolarHBondContact O-N 2.87Å
378E58.9Low73.9Confident147 Ų14763.8 Ų63.869%0.68736%0.363SS*.Hα-helixtrans-53.4-36.6-158.7-71.4-177.5159.400112G376 A382G376-E378 WeakPolarHBondContact O-CA 3.42Å; G376-E378 PolarHBondContact O-N 3.33Å; E378-A382 WeakPolarHBondContact O-CB 3.33Å; E378-A382 PolarHBondContact O-N 3.16Å
379E67.3Low74.1Confident171 Ų17162.6 Ų62.680%0.79936%0.357SS*.Hα-helixtrans-65.7-43.7179.3-61.5-176.4168.700114.1S377 H383S377-E379 PolarHBondContact O-N 3.34Å; E379-H383 WeakPolarHBondContact O-CB 3.16Å; E379-H383 PolarHBondContact O-N 2.73Å
380S72.7Confident74.3Confident66 Ų6665.4 Ų65.446%0.46237%0.374SS..Hα-helixtrans-72.7-39.4-175.8-67.40000111.6S377 L384S377-S380 PolarHBondContact O-N 3.23Å; S380-L384 PolarHBondContact O-N 3.41Å
381L75.1Confident74.7Confident11 Ų1166.4 Ų66.46%0.05838%0.38CS..Hα-helixtrans-70.5-42.4175.4-169.678.3000111.2L318 P373 A374 S377 H383 L384 Q385L318-L381 HydrophobicContact CD1-CD1 4.5Å; L318-L381 HydrophobicContact CD2-CD1 4.2Å; P373-L381 WeakPolarHBondContact O-CD2 3.07Å; A374-L381 HydrophobicContact CB-CD2 4.31Å; S377-L381 PolarHBondContact O-N 2.87Å; L381-H383 VanDerWaalsContact C-N 3.27Å; L381-H383 PolarHBondContact O-N 3.06Å; L381-L384 PolarHBondContact O-N 3.07Å; L381-L384 VanDerWaalsContact O-N 3.15Å; L381-Q385 HydrophobicContact CG-CG 4.37Å; L381-Q385 WeakPolarHBondContact O-CB 3.28Å; L381-Q385 WeakPolarHBondContact O-CG 3.49Å; L381-Q385 PolarHBondContact O-N 2.94Å
382A79.6Confident75.6Confident51 Ų5161.8 Ų61.842%0.42136%0.358SS..Hα-helixtrans-59.6-40.3176.200000111.6E378 Q385 K386E378-A382 WeakPolarHBondContact O-CB 3.33Å; E378-A382 PolarHBondContact O-N 3.16Å; A382-Q385 PolarHBondContact O-N 2.94Å; A382-K386 WeakPolarHBondContact O-CB 3.5Å; A382-K386 PolarHBondContact O-N 3.18Å
383H82.8Confident76.9Confident95 Ų9561.7 Ų61.744%0.4435%0.354SS..Hα-helixtrans-62.8-46.1173.5-175.576.5000112R325 E379 L381 K386 Q387R325-H383 PolarHBondContact NH1-NE2 3.05Å; E379-H383 WeakPolarHBondContact O-CB 3.16Å; E379-H383 PolarHBondContact O-N 2.73Å; L381-H383 VanDerWaalsContact C-N 3.27Å; L381-H383 PolarHBondContact O-N 3.06Å; H383-K386 PolarHBondContact O-N 3.41Å; H383-Q387 PolarHBondContact NE2-NE2 3.3Å; H383-Q387 WeakPolarHBondContact O-CG 3.27Å; H383-Q387 PolarHBondContact O-N 2.77Å
384L83.6Confident78.5Confident23 Ų2359.5 Ų59.512%0.1234%0.34CS..Hα-helixtrans-60.6-47.1176.718067.7000111.4L318 L321 L368 S380 L381 K386 Q387 C388L318-L384 HydrophobicContact CD1-CB 4.12Å; L318-L384 HydrophobicContact CD1-CD2 3.5Å; L318-L384 VanDerWaalsContact CD1-CD2 3.5Å; L318-L384 HydrophobicContact CD1-CG 4.36Å; L321-L384 HydrophobicContact CD1-CD2 4.36Å; L368-L384 HydrophobicContact CD2-CD2 4.34Å; S380-L384 PolarHBondContact O-N 3.41Å; L381-L384 PolarHBondContact O-N 3.07Å; L381-L384 VanDerWaalsContact O-N 3.15Å; L384-K386 VanDerWaalsContact C-N 3.32Å; L384-K386 PolarHBondContact O-N 3.39Å; L384-Q387 WeakPolarHBondContact O-CB 3.47Å; L384-Q387 PolarHBondContact O-N 3.48Å; L384-Q387 VanDerWaalsContact O-N 3.11Å; L384-C388 PolarHBondContact O-N 2.94Å; L384-C388 PolarHBondContact O-SG 3.48Å; L384-C388 VanDerWaalsContact O-SG 3.38Å
385Q86.7Confident80.5Confident20 Ų2056.7 Ų56.79%0.09332%0.316CS..Hα-helixtrans-56.4-47.4177.5-75.8-178.5-5.400111L368 S372 L381 A382 Q387 C388 V389L368-Q385 VanDerWaalsContact O-CG 3.31Å; L368-Q385 WeakPolarHBondContact O-CG 3.46Å; S372-Q385 PolarHBondContact O-NE2 3.44Å; L381-Q385 HydrophobicContact CG-CG 4.37Å; L381-Q385 WeakPolarHBondContact O-CB 3.28Å; L381-Q385 WeakPolarHBondContact O-CG 3.49Å; L381-Q385 PolarHBondContact O-N 2.94Å; A382-Q385 PolarHBondContact O-N 2.94Å; Q385-Q387 VanDerWaalsContact C-N 3.29Å; Q385-Q387 PolarHBondContact O-N 3.09Å; Q385-C388 PolarHBondContact O-N 2.84Å; Q385-V389 WeakPolarHBondContact O-CG2 3.41Å; Q385-V389 PolarHBondContact O-N 3.34Å
386K87.8Confident82.6Confident124 Ų12450.7 Ų50.754%0.53928%0.28SS..Hα-helixtrans-56.9-43.4176.3-173.6173.1-175.5173.70111.7A382 H383 L384 V389 T390A382-K386 WeakPolarHBondContact O-CB 3.5Å; A382-K386 PolarHBondContact O-N 3.18Å; H383-K386 PolarHBondContact O-N 3.41Å; L384-K386 VanDerWaalsContact C-N 3.32Å; L384-K386 PolarHBondContact O-N 3.39Å; K386-V389 PolarHBondContact O-N 3.24Å; K386-T390 PolarHBondContact O-N 3.3Å; K386-T390 PolarHBondContact O-OG1 3.21Å
387Q87.9Confident84.6Confident61 Ų6152.2 Ų52.229%0.28528%0.28SS..Hα-helixtrans-67-41177.4-69.7-170.6-3800112.9R325 H383 L384 Q385 V389 T390 L391R325-Q387 VanDerWaalsContact CZ-NE2 3.31Å; R325-Q387 VanDerWaalsContact NH1-CD 3.31Å; R325-Q387 VanDerWaalsContact NH2-NE2 3.11Å; H383-Q387 PolarHBondContact NE2-NE2 3.3Å; H383-Q387 WeakPolarHBondContact O-CG 3.27Å; H383-Q387 PolarHBondContact O-N 2.77Å; L384-Q387 WeakPolarHBondContact O-CB 3.47Å; L384-Q387 PolarHBondContact O-N 3.48Å; L384-Q387 VanDerWaalsContact O-N 3.11Å; Q385-Q387 VanDerWaalsContact C-N 3.29Å; Q385-Q387 PolarHBondContact O-N 3.09Å; Q387-V389 VanDerWaalsContact C-N 3.33Å; Q387-T390 VanDerWaalsContact CA-OG1 3.3Å; Q387-T390 WeakPolarHBondContact CA-OG1 3.21Å; Q387-T390 PolarHBondContact O-N 2.86Å; Q387-T390 PolarHBondContact O-OG1 3.02Å; Q387-L391 VanDerWaalsContact O-CB 3.31Å; Q387-L391 WeakPolarHBondContact O-CB 3.32Å; Q387-L391 PolarHBondContact O-N 3.22Å
388C91.1Very high86.2Confident12 Ų1250 Ų508%0.08127%0.267CS..Hα-helixtrans-66-36.1176.4-67.80000111.7L365 A369 L384 Q385 L391 T392L365-C388 HydrophobicContact CD1-CB 3.85Å; A369-C388 HydrophobicContact CB-CB 3.75Å; L384-C388 PolarHBondContact O-N 2.94Å; L384-C388 PolarHBondContact O-SG 3.48Å; L384-C388 VanDerWaalsContact O-SG 3.38Å; Q385-C388 PolarHBondContact O-N 2.84Å; C388-L391 PolarHBondContact O-N 3.39Å; C388-T392 WeakPolarHBondContact O-CB 3.43Å; C388-T392 PolarHBondContact O-N 3.21Å; C388-T392 PolarHBondContact O-OG1 3.13Å
389V92.4Very high87.8Confident2 Ų243.8 Ų43.81%0.01224%0.238CC..Hα-helixtrans-65-48.8172.3175.80000110.6A369 F370 Q385 K386 Q387 L391 T392 E393 Q437 R438 C441A369-V389 HydrophobicContact CB-CG2 4Å; F370-V389 HydrophobicContact CE1-CG2 4.27Å; F370-V389 HydrophobicContact CZ-CG2 4.16Å; Q385-V389 WeakPolarHBondContact O-CG2 3.41Å; Q385-V389 PolarHBondContact O-N 3.34Å; K386-V389 PolarHBondContact O-N 3.24Å; Q387-V389 VanDerWaalsContact C-N 3.33Å; V389-L391 VanDerWaalsContact C-N 3.26Å; V389-L391 PolarHBondContact O-N 3.47Å; V389-T392 PolarHBondContact O-N 3.41Å; V389-E393 WeakPolarHBondContact O-CB 3.46Å; V389-E393 PolarHBondContact O-N 3.18Å; V389-Q437 HydrophobicContact CG1-CB 4.49Å; V389-Q437 HydrophobicContact CG1-CG 3.82Å; V389-R438 HydrophobicContact CG2-CG 4.06Å; V389-C441 HydrophobicContact CG1-CB 4.06Å
390T92.6Very high89Confident58 Ų5837 Ų3736%0.35621%0.209SC..Hα-helixtrans-58.6-39.4175.950.20000112.1K386 Q387 E393 S394K386-T390 PolarHBondContact O-N 3.3Å; K386-T390 PolarHBondContact O-OG1 3.21Å; Q387-T390 VanDerWaalsContact CA-OG1 3.3Å; Q387-T390 WeakPolarHBondContact CA-OG1 3.21Å; Q387-T390 PolarHBondContact O-N 2.86Å; Q387-T390 PolarHBondContact O-OG1 3.02Å; T390-E393 PolarHBondContact O-N 2.88Å; T390-S394 PolarHBondContact O-N 3.28Å; T390-S394 PolarHBondContact O-OG 3.17Å; T390-S394 VanDerWaalsContact O-OG 3.07Å
391L93.8Very high89.8Confident30 Ų3039.2 Ų39.216%0.15722%0.216CC..Hα-helixtrans-66.9-43.3178.8-177.359.7000111.1T343 F346 L365 Q387 C388 V389 E393 S394 N395T343-L391 HydrophobicContact CG2-CD1 3.8Å; F346-L391 HydrophobicContact CB-CD1 3.98Å; F346-L391 HydrophobicContact CD1-CD1 3.82Å; F346-L391 HydrophobicContact CD1-CD2 4.06Å; F346-L391 HydrophobicContact CD1-CG 4.05Å; F346-L391 HydrophobicContact CD2-CD2 4.03Å; F346-L391 HydrophobicContact CE1-CD2 4.23Å; F346-L391 HydrophobicContact CE1-CG 4.31Å; F346-L391 HydrophobicContact CE2-CD2 4.21Å; F346-L391 HydrophobicContact CG-CD1 3.97Å; F346-L391 HydrophobicContact CG-CD2 3.94Å; F346-L391 HydrophobicContact CG-CG 4.32Å; F346-L391 HydrophobicContact CZ-CD2 4.3Å; L365-L391 HydrophobicContact CD1-CD2 3.92Å; L365-L391 HydrophobicContact CD1-CG 4.46Å; L365-L391 HydrophobicContact CD2-CD2 4.48Å; L365-L391 HydrophobicContact CD2-CG 4.45Å; Q387-L391 VanDerWaalsContact O-CB 3.31Å; Q387-L391 WeakPolarHBondContact O-CB 3.32Å; Q387-L391 PolarHBondContact O-N 3.22Å; C388-L391 PolarHBondContact O-N 3.39Å; V389-L391 VanDerWaalsContact C-N 3.26Å; V389-L391 PolarHBondContact O-N 3.47Å; L391-E393 VanDerWaalsContact C-N 3.33Å; L391-S394 PolarHBondContact O-N 2.81Å; L391-N395 PolarHBondContact O-N 2.91Å; L391-N395 PolarHBondContact O-ND2 2.95Å
392T94.8Very high90.4Very high0 Ų040.4 Ų40.40%023%0.225CC..Hα-helixtrans-60.9-45.5175.7-55.20000110.5L366 F370 C388 V389 N395 L396 L416L366-T392 HydrophobicContact CD2-CG2 4.02Å; F370-T392 HydrophobicContact CE2-CG2 4.47Å; C388-T392 WeakPolarHBondContact O-CB 3.43Å; C388-T392 PolarHBondContact O-N 3.21Å; C388-T392 PolarHBondContact O-OG1 3.13Å; V389-T392 PolarHBondContact O-N 3.41Å; T392-N395 WeakPolarHBondContact O-CB 3.44Å; T392-N395 PolarHBondContact O-N 3.21Å; T392-L396 HydrophobicContact CG2-CD1 4.4Å; T392-L396 WeakPolarHBondContact O-CG 3.3Å; T392-L396 PolarHBondContact O-N 2.85Å; T392-L416 HydrophobicContact CG2-CD1 4.28Å; T392-L416 HydrophobicContact CG2-CD2 4.3Å
393E95Very high90.8Very high39 Ų3938.2 Ų38.218%0.18221%0.206CC..Hα-helixtrans-59.6-47.9176.9-169.7-179.1176.300112.2V389 T390 L391 N395 L396 D397 C441 K444V389-E393 WeakPolarHBondContact O-CB 3.46Å; V389-E393 PolarHBondContact O-N 3.18Å; T390-E393 PolarHBondContact O-N 2.88Å; L391-E393 VanDerWaalsContact C-N 3.33Å; E393-N395 VanDerWaalsContact C-N 3.26Å; E393-N395 PolarHBondContact O-N 3.1Å; E393-L396 CarbonylContact O-C 3.57Å; E393-L396 WeakPolarHBondContact O-CA 3.32Å; E393-L396 WeakPolarHBondContact O-CB 3.27Å; E393-L396 PolarHBondContact O-N 3.42Å; E393-D397 PolarHBondContact O-N 3.33Å; E393-C441 HydrophobicContact CB-CB 4.42Å; E393-K444 HydrophobicContact CG-CD 4.02Å; E393-K444 IonicContact OE1-NZ 3.3Å; E393-K444 PolarHBondContact OE1-NZ 3.17Å
394S94.2Very high90.9Very high39 Ų3938.7 Ų38.727%0.27321%0.211SC..Hα-helixtrans-62.9-31.9176.7-58.50000113.2T343 T390 L391 D397 A398T343-S394 VanDerWaalsContact CG2-CB 3.42Å; T390-S394 PolarHBondContact O-N 3.28Å; T390-S394 PolarHBondContact O-OG 3.17Å; T390-S394 VanDerWaalsContact O-OG 3.07Å; L391-S394 PolarHBondContact O-N 2.81Å; S394-D397 PolarHBondContact O-N 3.19Å; S394-A398 PolarHBondContact O-N 2.95Å; S394-A398 VanDerWaalsContact O-N 3.09Å
395N94.1Very high91Very high2 Ų245.3 Ų45.31%0.01124%0.242CC..Hα-helixtrans-68.2-40171.8-81.5-97.6000111.3F346 Y362 L391 T392 E393 D397 A398 I399 L416F346-N395 WeakPolarHBondContact CD1-ND2 3.46Å; Y362-N395 PolarHBondContact OH-OD1 2.88Å; L391-N395 PolarHBondContact O-N 2.91Å; L391-N395 PolarHBondContact O-ND2 2.95Å; T392-N395 WeakPolarHBondContact O-CB 3.44Å; T392-N395 PolarHBondContact O-N 3.21Å; E393-N395 VanDerWaalsContact C-N 3.26Å; E393-N395 PolarHBondContact O-N 3.1Å; N395-D397 VanDerWaalsContact C-N 3.33Å; N395-A398 PolarHBondContact O-N 3.37Å; N395-I399 WeakPolarHBondContact O-CD1 3.43Å; N395-I399 WeakPolarHBondContact O-CG1 3.23Å; N395-I399 PolarHBondContact O-N 3.35Å; N395-L416 HydrophobicContact CB-CD2 3.63Å
396L95.7Very high90.7Very high1 Ų147.8 Ų47.81%0.00525%0.253CS..Hα-helixtrans-64.9-37.5174.5-66.4170.8000111.7T392 E393 I399 C400 L416 L417 I420 C441 K444 A445 L448T392-L396 HydrophobicContact CG2-CD1 4.4Å; T392-L396 WeakPolarHBondContact O-CG 3.3Å; T392-L396 PolarHBondContact O-N 2.85Å; E393-L396 CarbonylContact O-C 3.57Å; E393-L396 WeakPolarHBondContact O-CA 3.32Å; E393-L396 WeakPolarHBondContact O-CB 3.27Å; E393-L396 PolarHBondContact O-N 3.42Å; L396-I399 PolarHBondContact O-N 3.35Å; L396-C400 WeakPolarHBondContact O-CB 3.38Å; L396-C400 PolarHBondContact O-N 3.08Å; L396-L416 HydrophobicContact CD2-CD2 4.02Å; L396-L416 HydrophobicContact CD2-CG 4.4Å; L396-L416 HydrophobicContact CG-CD2 4.19Å; L396-L417 HydrophobicContact CD2-CD2 3.53Å; L396-L417 HydrophobicContact CD2-CG 4.25Å; L396-I420 HydrophobicContact CD2-CD1 4.29Å; L396-C441 VanDerWaalsContact CD1-O 3.23Å; L396-C441 WeakPolarHBondContact CD1-O 3.42Å; L396-K444 HydrophobicContact CD1-CB 4.38Å; L396-A445 HydrophobicContact CD1-CB 3.96Å; L396-A445 HydrophobicContact CD2-CB 4.12Å; L396-L448 HydrophobicContact CB-CD1 4.28Å; L396-L448 HydrophobicContact CD2-CD1 4.16Å
397D93.7Very high90Very high64 Ų6448.2 Ų48.234%0.34227%0.269SS..Hα-helixtrans-63.6-43.8175.4-65.6-29.2000111.2E393 S394 N395 I399 C400 L401 K444E393-D397 PolarHBondContact O-N 3.33Å; S394-D397 PolarHBondContact O-N 3.19Å; N395-D397 VanDerWaalsContact C-N 3.33Å; D397-I399 VanDerWaalsContact C-N 3.35Å; D397-I399 PolarHBondContact O-N 3.5Å; D397-C400 VanDerWaalsContact O-CB 3.32Å; D397-C400 WeakPolarHBondContact O-CB 3.3Å; D397-C400 PolarHBondContact O-N 2.83Å; D397-L401 PolarHBondContact O-N 3.19Å; D397-L401 VanDerWaalsContact O-N 3.13Å; D397-K444 WeakPolarHBondContact OD1-CE 3.2Å; D397-K444 IonicContact OD1-NZ 3.59Å; D397-K444 PolarHBondContact OD1-NZ 3.36Å; D397-K444 IonicContact OD2-NZ 3.83Å; D397-K444 PolarHBondContact OD2-NZ 3.26Å
398A90.6Very high89.5Confident35 Ų3550.9 Ų50.929%0.28929%0.289SS..Hα-helixtrans-63-39.9173.800000112.4I347 S394 N395 C400 L401 S402I347-A398 HydrophobicContact CD1-CB 4.38Å; I347-A398 HydrophobicContact CG2-CB 3.96Å; S394-A398 PolarHBondContact O-N 2.95Å; S394-A398 VanDerWaalsContact O-N 3.09Å; N395-A398 PolarHBondContact O-N 3.37Å; A398-C400 VanDerWaalsContact C-N 3.33Å; A398-L401 PolarHBondContact O-N 3.46Å; A398-S402 PolarHBondContact O-N 3.34Å; A398-S402 VanDerWaalsContact O-N 3.17Å
399I92.5Very high89.2Confident15 Ų1551.5 Ų51.58%0.07729%0.292CS..Hα-helixtrans-64.7-40.1174.2-67.1164.3000110.4N395 L396 D397 L401 S402 V403 F414 L416 L417 L448N395-I399 WeakPolarHBondContact O-CD1 3.43Å; N395-I399 WeakPolarHBondContact O-CG1 3.23Å; N395-I399 PolarHBondContact O-N 3.35Å; L396-I399 PolarHBondContact O-N 3.35Å; D397-I399 VanDerWaalsContact C-N 3.35Å; D397-I399 PolarHBondContact O-N 3.5Å; I399-L401 PolarHBondContact O-N 3.11Å; I399-S402 CarbonylContact O-C 3.55Å; I399-S402 PolarHBondContact O-N 2.93Å; I399-S402 VanDerWaalsContact O-N 3.12Å; I399-V403 HydrophobicContact CG2-CG2 3.83Å; I399-V403 WeakPolarHBondContact O-CB 3.47Å; I399-V403 WeakPolarHBondContact O-CG2 3.23Å; I399-V403 PolarHBondContact O-N 3.49Å; I399-F414 HydrophobicContact CB-CD1 4.34Å; I399-F414 HydrophobicContact CB-CE1 4.49Å; I399-F414 HydrophobicContact CD1-CB 4.41Å; I399-F414 HydrophobicContact CD1-CD1 4.39Å; I399-F414 HydrophobicContact CG1-CD1 3.86Å; I399-F414 HydrophobicContact CG1-CE1 4.33Å; I399-F414 HydrophobicContact CG1-CG 4.47Å; I399-F414 HydrophobicContact CG2-CB 4.41Å; I399-F414 HydrophobicContact CG2-CD1 3.68Å; I399-F414 HydrophobicContact CG2-CD2 4.06Å; I399-F414 HydrophobicContact CG2-CE1 3.85Å; I399-F414 HydrophobicContact CG2-CE2 4.18Å; I399-F414 HydrophobicContact CG2-CG 3.79Å; I399-F414 HydrophobicContact CG2-CZ 4.1Å; I399-L416 HydrophobicContact CD1-CB 4.17Å; I399-L416 HydrophobicContact CD1-CD2 4.15Å; I399-L417 HydrophobicContact CD1-CG 4.28Å; I399-L417 HydrophobicContact CG2-CD1 3.52Å; I399-L417 HydrophobicContact CG2-CG 4.25Å; I399-L448 HydrophobicContact CB-CD1 4.46Å; I399-L448 HydrophobicContact CG2-CD1 4.22Å
400C91.8Very high89Confident28 Ų2855.1 Ų55.119%0.18931%0.314CS..Hα-helixtrans-56.6-48.6177.8-170.90000111.5L396 D397 A398 S402 V403 L404 L448L396-C400 WeakPolarHBondContact O-CB 3.38Å; L396-C400 PolarHBondContact O-N 3.08Å; D397-C400 VanDerWaalsContact O-CB 3.32Å; D397-C400 WeakPolarHBondContact O-CB 3.3Å; D397-C400 PolarHBondContact O-N 2.83Å; A398-C400 VanDerWaalsContact C-N 3.33Å; C400-S402 VanDerWaalsContact C-N 3.33Å; C400-S402 PolarHBondContact O-N 2.78Å; C400-V403 PolarHBondContact O-N 3.46Å; C400-L404 VanDerWaalsContact O-CG 3.31Å; C400-L404 WeakPolarHBondContact O-CG 3.39Å; C400-L404 PolarHBondContact O-N 2.93Å; C400-L448 HydrophobicContact CB-CD1 4.4Å; C400-L448 HydrophobicContact CB-CD2 3.84Å
401L89.7Confident88.8Confident114 Ų11453.1 Ų53.160%0.59730%0.301SS*.Hα-helixtrans-57.5-46.3174.7-64.7174.5000111.4D397 A398 I399 V403 L404 E405D397-L401 PolarHBondContact O-N 3.19Å; D397-L401 VanDerWaalsContact O-N 3.13Å; A398-L401 PolarHBondContact O-N 3.46Å; I399-L401 PolarHBondContact O-N 3.11Å; L401-V403 VanDerWaalsContact C-N 3.33Å; L401-V403 PolarHBondContact O-N 2.96Å; L401-L404 PolarHBondContact O-N 2.79Å; L401-E405 WeakPolarHBondContact O-CG 3.37Å; L401-E405 PolarHBondContact O-N 2.75Å
402S87.5Confident88.4Confident36 Ų3655.4 Ų55.425%0.25232%0.32SS..Hα-helixtrans-65.7-32178.6178.60000114A398 I399 C400 Q406A398-S402 PolarHBondContact O-N 3.34Å; A398-S402 VanDerWaalsContact O-N 3.17Å; I399-S402 CarbonylContact O-C 3.55Å; I399-S402 PolarHBondContact O-N 2.93Å; I399-S402 VanDerWaalsContact O-N 3.12Å; C400-S402 VanDerWaalsContact C-N 3.33Å; C400-S402 PolarHBondContact O-N 2.78Å; S402-Q406 WeakPolarHBondContact O-CG 3.49Å
403V87.7Confident88Confident4 Ų461 Ų612%0.02434%0.344CS..Hα-helixtrans-73.3-42.9178.9170.60000109.9I399 C400 L401 E405 Q406 V409 F414 L448 L451 I452I399-V403 HydrophobicContact CG2-CG2 3.83Å; I399-V403 WeakPolarHBondContact O-CB 3.47Å; I399-V403 WeakPolarHBondContact O-CG2 3.23Å; I399-V403 PolarHBondContact O-N 3.49Å; C400-V403 PolarHBondContact O-N 3.46Å; L401-V403 VanDerWaalsContact C-N 3.33Å; L401-V403 PolarHBondContact O-N 2.96Å; V403-E405 VanDerWaalsContact C-N 3.31Å; V403-E405 PolarHBondContact O-N 3.22Å; V403-Q406 PolarHBondContact O-N 3.42Å; V403-V409 HydrophobicContact CG1-CG2 4.33Å; V403-V409 HydrophobicContact CG2-CG1 4.23Å; V403-F414 HydrophobicContact CG2-CD2 4.36Å; V403-F414 HydrophobicContact CG2-CE2 3.56Å; V403-F414 HydrophobicContact CG2-CZ 3.81Å; V403-L448 HydrophobicContact CB-CD2 4.46Å; V403-L448 HydrophobicContact CG2-CD2 4.39Å; V403-L451 HydrophobicContact CG1-CD2 3.84Å; V403-I452 HydrophobicContact CG1-CG1 4.23Å; V403-I452 HydrophobicContact CG2-CD1 4.1Å; V403-I452 HydrophobicContact CG2-CG1 4.46Å
404L85Confident87.8Confident105 Ų10560.3 Ų60.355%0.5534%0.341SS..Hα-helixtrans-68.9-27.4-178.9-68.2172.7000113.1C400 L401 Q406 L451C400-L404 VanDerWaalsContact O-CG 3.31Å; C400-L404 WeakPolarHBondContact O-CG 3.39Å; C400-L404 PolarHBondContact O-N 2.93Å; L401-L404 PolarHBondContact O-N 2.79Å; L404-Q406 VanDerWaalsContact C-N 3.34Å; L404-L451 HydrophobicContact CD2-CD1 4.4Å
405E85.7Confident87.7Confident163 Ų16360 Ų6076%0.76234%0.338SS*.THydrogen-bonded Turntrans-78.9-13176.9-72.5177.7173.200113.9L401 V403L401-E405 WeakPolarHBondContact O-CG 3.37Å; L401-E405 PolarHBondContact O-N 2.75Å; V403-E405 VanDerWaalsContact C-N 3.31Å; V403-E405 PolarHBondContact O-N 3.22Å
406Q81.9Confident87.6Confident71 Ų7160 Ų6033%0.33234%0.338SS..  trans-111.3132.6-173.4-70.9-176.221.200112.2S402 V403 L404 V408 V409 K413S402-Q406 WeakPolarHBondContact O-CG 3.49Å; V403-Q406 PolarHBondContact O-N 3.42Å; L404-Q406 VanDerWaalsContact C-N 3.34Å; Q406-V408 PolarHBondContact O-N 2.82Å; Q406-V409 HydrophobicContact CB-CG2 3.58Å; Q406-K413 VanDerWaalsContact OE1-NZ 3.16Å
407P72.9Confident87.5Confident134 Ų13459.9 Ų59.987%0.8734%0.337SS*.SBendtrans-73-31.1-177.128.3-34.7000113.3
408V77.1Confident87.4Confident117 Ų11760.1 Ų60.171%0.70934%0.337SS*.SBendtrans-135.2121.5177.4-179.50000108.6Q406Q406-V408 PolarHBondContact O-N 2.82Å
409V84.5Confident87.4Confident24 Ų2461.7 Ų61.715%0.14534%0.336CS..  trans-122.7131.8-173.9178.90000109.4V403 Q406 F414 I452V403-V409 HydrophobicContact CG1-CG2 4.33Å; V403-V409 HydrophobicContact CG2-CG1 4.23Å; Q406-V409 HydrophobicContact CB-CG2 3.58Å; V409-F414 HydrophobicContact CG1-CD2 4.27Å; V409-F414 HydrophobicContact CG1-CE2 3.46Å; V409-F414 VanDerWaalsContact CG1-CE2 3.46Å; V409-F414 HydrophobicContact CG1-CZ 4.35Å; V409-I452 HydrophobicContact CB-CG1 4.36Å; V409-I452 HydrophobicContact CG1-CD1 4.03Å; V409-I452 HydrophobicContact CG1-CG1 3.87Å
410V87.6Confident87.4Confident79 Ų7961 Ų6148%0.47933%0.332SS..  trans-106.3129174.8-171.20000108.1S412 K413V410-S412 VanDerWaalsContact CG1-OG 3.25Å; V410-S412 WeakPolarHBondContact CG1-OG 3.21Å; V410-S412 PolarHBondContact O-N 3.43Å; V410-S412 VanDerWaalsContact O-N 3.1Å; V410-K413 WeakPolarHBondContact O-CB 3.49Å; V410-K413 PolarHBondContact O-N 3.38Å
411L88.4Confident87.4Confident15 Ų1560.5 Ų60.58%0.07933%0.33CS..G310 helixtrans-53.8-34.9-177.9-169.666.7000112.5K413 F414 L417 M418 A421 I449 I452L411-K413 PolarHBondContact O-N 3.12Å; L411-F414 PolarHBondContact O-N 2.99Å; L411-L417 HydrophobicContact CD1-CB 3.73Å; L411-L417 HydrophobicContact CD1-CD1 4.31Å; L411-M418 HydrophobicContact CB-SD 3.8Å; L411-M418 HydrophobicContact CD2-SD 3.51Å; L411-M418 VanDerWaalsContact CD2-SD 3.51Å; L411-M418 HydrophobicContact CG-CG 3.97Å; L411-M418 HydrophobicContact CG-SD 3.4Å; L411-M418 WeakPolarHBondContact CG-SD 3.42Å; L411-M418 VanDerWaalsContact O-CG 3.24Å; L411-M418 WeakPolarHBondContact O-CG 3.47Å; L411-A421 HydrophobicContact CD2-CB 3.92Å; L411-I449 HydrophobicContact CD1-CG1 4.48Å; L411-I452 HydrophobicContact CB-CG2 3.95Å; L411-I452 HydrophobicContact CD1-CD1 3.83Å; L411-I452 HydrophobicContact CD1-CG2 4.38Å
412S86.8Confident87.4Confident79 Ų7959 Ų5955%0.55233%0.329SS*.G310 helixtrans-59.2-18.4179.2610000114.7V410 F414V410-S412 VanDerWaalsContact CG1-OG 3.25Å; V410-S412 WeakPolarHBondContact CG1-OG 3.21Å; V410-S412 PolarHBondContact O-N 3.43Å; V410-S412 VanDerWaalsContact O-N 3.1Å; S412-F414 PolarHBondContact O-N 3.38Å
413K86.7Confident87.4Confident118 Ų11858.5 Ų58.551%0.51333%0.325SS..G310 helixtrans-69.2-19.7172.7-68.2-174.4177.8-179.70113.1Q406 V410 L411 P415Q406-K413 VanDerWaalsContact OE1-NZ 3.16Å; V410-K413 WeakPolarHBondContact O-CB 3.49Å; V410-K413 PolarHBondContact O-N 3.38Å; L411-K413 PolarHBondContact O-N 3.12Å; K413-P415 WeakPolarHBondContact O-CD 3.31Å
414F90.7Very high87.3Confident23 Ų2363.2 Ų63.210%0.10134%0.342CS..  trans-118.192.3-175.4-57.6-65.6000110.9I399 V403 V409 L411 S412 L416 L417 M418 I452I399-F414 HydrophobicContact CB-CD1 4.34Å; I399-F414 HydrophobicContact CB-CE1 4.49Å; I399-F414 HydrophobicContact CD1-CB 4.41Å; I399-F414 HydrophobicContact CD1-CD1 4.39Å; I399-F414 HydrophobicContact CG1-CD1 3.86Å; I399-F414 HydrophobicContact CG1-CE1 4.33Å; I399-F414 HydrophobicContact CG1-CG 4.47Å; I399-F414 HydrophobicContact CG2-CB 4.41Å; I399-F414 HydrophobicContact CG2-CD1 3.68Å; I399-F414 HydrophobicContact CG2-CD2 4.06Å; I399-F414 HydrophobicContact CG2-CE1 3.85Å; I399-F414 HydrophobicContact CG2-CE2 4.18Å; I399-F414 HydrophobicContact CG2-CG 3.79Å; I399-F414 HydrophobicContact CG2-CZ 4.1Å; V403-F414 HydrophobicContact CG2-CD2 4.36Å; V403-F414 HydrophobicContact CG2-CE2 3.56Å; V403-F414 HydrophobicContact CG2-CZ 3.81Å; V409-F414 HydrophobicContact CG1-CD2 4.27Å; V409-F414 HydrophobicContact CG1-CE2 3.46Å; V409-F414 VanDerWaalsContact CG1-CE2 3.46Å; V409-F414 HydrophobicContact CG1-CZ 4.35Å; L411-F414 PolarHBondContact O-N 2.99Å; S412-F414 PolarHBondContact O-N 3.38Å; F414-L416 VanDerWaalsContact C-N 3.27Å; F414-L416 PolarHBondContact O-N 3.17Å; F414-L417 HydrophobicContact CB-CB 4.04Å; F414-L417 HydrophobicContact CB-CD1 4.13Å; F414-L417 HydrophobicContact CB-CG 4.31Å; F414-L417 HydrophobicContact CD2-CD1 4.26Å; F414-L417 HydrophobicContact CG-CD1 4.37Å; F414-L417 PolarHBondContact O-N 3.42Å; F414-M418 PolarHBondContact O-N 3.25Å; F414-I452 HydrophobicContact CD2-CD1 4.19Å; F414-I452 HydrophobicContact CE2-CD1 4.41Å
415P90.3Very high87.3Confident34 Ų3463.8 Ų63.822%0.22134%0.342CS..Hα-helixtrans-55.5-37.9-177.4-28.336.1000113.9A358 Y362 K413 M418 R419A358-P415 HydrophobicContact CB-CB 3.82Å; A358-P415 HydrophobicContact CB-CG 3.75Å; Y362-P415 HydrophobicContact CD2-CB 3.94Å; Y362-P415 HydrophobicContact CE2-CB 4.12Å; K413-P415 WeakPolarHBondContact O-CD 3.31Å; P415-M418 PolarHBondContact O-N 3.2Å; P415-R419 WeakPolarHBondContact O-CB 3.36Å; P415-R419 PolarHBondContact O-N 3.41Å
416L93.9Very high87.4Confident0 Ų056.4 Ų56.40%031%0.308CS..Hα-helixtrans-61.1-53.5176.2177.158.5000111.8Y362 L366 T392 N395 L396 I399 F414 M418 R419 I420Y362-L416 HydrophobicContact CD1-CB 3.88Å; Y362-L416 HydrophobicContact CD1-CD1 3.69Å; Y362-L416 HydrophobicContact CD1-CD2 4.29Å; Y362-L416 HydrophobicContact CD1-CG 4.15Å; Y362-L416 HydrophobicContact CD2-CB 3.9Å; Y362-L416 HydrophobicContact CE1-CB 3.9Å; Y362-L416 HydrophobicContact CE1-CD1 4.3Å; Y362-L416 HydrophobicContact CE1-CD2 4.06Å; Y362-L416 HydrophobicContact CE1-CG 4.31Å; Y362-L416 HydrophobicContact CE2-CB 3.94Å; Y362-L416 HydrophobicContact CG-CB 3.87Å; Y362-L416 HydrophobicContact CG-CD1 3.99Å; Y362-L416 HydrophobicContact CG-CG 4.48Å; L366-L416 HydrophobicContact CD1-CD1 4.22Å; L366-L416 HydrophobicContact CD2-CD1 4.18Å; L366-L416 HydrophobicContact CG-CD1 4.27Å; T392-L416 HydrophobicContact CG2-CD1 4.28Å; T392-L416 HydrophobicContact CG2-CD2 4.3Å; N395-L416 HydrophobicContact CB-CD2 3.63Å; L396-L416 HydrophobicContact CD2-CD2 4.02Å; L396-L416 HydrophobicContact CD2-CG 4.4Å; L396-L416 HydrophobicContact CG-CD2 4.19Å; I399-L416 HydrophobicContact CD1-CB 4.17Å; I399-L416 HydrophobicContact CD1-CD2 4.15Å; F414-L416 VanDerWaalsContact C-N 3.27Å; F414-L416 PolarHBondContact O-N 3.17Å; L416-M418 VanDerWaalsContact C-N 3.34Å; L416-M418 PolarHBondContact O-N 3.2Å; L416-R419 PolarHBondContact O-N 3.24Å; L416-I420 HydrophobicContact CD1-CD1 3.95Å; L416-I420 HydrophobicContact CD1-CG1 4.36Å; L416-I420 HydrophobicContact CG-CD1 4.08Å; L416-I420 WeakPolarHBondContact O-CG1 3.33Å; L416-I420 PolarHBondContact O-N 2.75Å
417L93.1Very high87.8Confident0 Ų053.1 Ų53.10%029%0.292CS..Hα-helixtrans-64.2-38.9178.9-75.1179.1000112L396 I399 L411 F414 R419 I420 A421 A445 L448 I449 I452L396-L417 HydrophobicContact CD2-CD2 3.53Å; L396-L417 HydrophobicContact CD2-CG 4.25Å; I399-L417 HydrophobicContact CD1-CG 4.28Å; I399-L417 HydrophobicContact CG2-CD1 3.52Å; I399-L417 HydrophobicContact CG2-CG 4.25Å; L411-L417 HydrophobicContact CD1-CB 3.73Å; L411-L417 HydrophobicContact CD1-CD1 4.31Å; F414-L417 HydrophobicContact CB-CB 4.04Å; F414-L417 HydrophobicContact CB-CD1 4.13Å; F414-L417 HydrophobicContact CB-CG 4.31Å; F414-L417 HydrophobicContact CD2-CD1 4.26Å; F414-L417 HydrophobicContact CG-CD1 4.37Å; F414-L417 PolarHBondContact O-N 3.42Å; L417-R419 VanDerWaalsContact C-N 3.33Å; L417-R419 PolarHBondContact O-N 2.81Å; L417-I420 PolarHBondContact O-N 2.85Å; L417-A421 VanDerWaalsContact O-CB 3.22Å; L417-A421 WeakPolarHBondContact O-CB 3.37Å; L417-A421 PolarHBondContact O-N 3.45Å; L417-A445 HydrophobicContact CD2-CB 4.25Å; L417-L448 HydrophobicContact CD1-CB 3.82Å; L417-L448 HydrophobicContact CD1-CD1 4.24Å; L417-L448 HydrophobicContact CD2-CB 3.93Å; L417-L448 HydrophobicContact CD2-CD1 4.12Å; L417-I449 HydrophobicContact CD2-CG1 4.38Å; L417-I452 HydrophobicContact CD1-CD1 3.83Å
418M91.7Very high88.5Confident68 Ų6847.3 Ų47.334%0.33525%0.254SS..Hα-helixtrans-57.1-47.6173-82.7-64.9-59.500111.1L411 F414 P415 L416 A421 S422L411-M418 HydrophobicContact CB-SD 3.8Å; L411-M418 HydrophobicContact CD2-SD 3.51Å; L411-M418 VanDerWaalsContact CD2-SD 3.51Å; L411-M418 HydrophobicContact CG-CG 3.97Å; L411-M418 HydrophobicContact CG-SD 3.4Å; L411-M418 WeakPolarHBondContact CG-SD 3.42Å; L411-M418 VanDerWaalsContact O-CG 3.24Å; L411-M418 WeakPolarHBondContact O-CG 3.47Å; F414-M418 PolarHBondContact O-N 3.25Å; P415-M418 PolarHBondContact O-N 3.2Å; L416-M418 VanDerWaalsContact C-N 3.34Å; L416-M418 PolarHBondContact O-N 3.2Å; M418-A421 PolarHBondContact O-N 3.04Å; M418-S422 WeakPolarHBondContact O-CB 3.44Å; M418-S422 PolarHBondContact O-N 3.11Å; M418-S422 PolarHBondContact O-OG 3.28Å
419R90.7Very high88.9Confident69 Ų6949.3 Ų49.326%0.2625%0.253SS..Hα-helixtrans-63.1-44.8-179.3-178.760.1-176.3124.9-0.1111.8D363 L366 P415 L416 L417 S422 C423D363-R419 IonicContact OD1-CZ 3.6Å; D363-R419 IonicContact OD1-NE 3.12Å; D363-R419 PolarHBondContact OD1-NE 2.73Å; D363-R419 IonicContact OD1-NH2 2.69Å; D363-R419 PolarHBondContact OD1-NH2 2.7Å; L366-R419 HydrophobicContact CD1-CB 4.27Å; L366-R419 HydrophobicContact CD1-CG 3.69Å; P415-R419 WeakPolarHBondContact O-CB 3.36Å; P415-R419 PolarHBondContact O-N 3.41Å; L416-R419 PolarHBondContact O-N 3.24Å; L417-R419 VanDerWaalsContact C-N 3.33Å; L417-R419 PolarHBondContact O-N 2.81Å; R419-S422 PolarHBondContact O-N 3.19Å; R419-C423 PolarHBondContact O-N 2.79Å; R419-C423 VanDerWaalsContact O-N 3.11Å
420I92.6Very high89.2Confident0 Ų048.4 Ų48.40%025%0.247CC..Hα-helixtrans-60.4-48.3175.8-65.5169.4000110.1L366 L396 L416 L417 S422 C423 L427 M442 A445 I449L366-I420 HydrophobicContact CD1-CG1 3.85Å; L366-I420 HydrophobicContact CD2-CD1 4.39Å; L366-I420 HydrophobicContact CD2-CG1 4.18Å; L396-I420 HydrophobicContact CD2-CD1 4.29Å; L416-I420 HydrophobicContact CD1-CD1 3.95Å; L416-I420 HydrophobicContact CD1-CG1 4.36Å; L416-I420 HydrophobicContact CG-CD1 4.08Å; L416-I420 WeakPolarHBondContact O-CG1 3.33Å; L416-I420 PolarHBondContact O-N 2.75Å; L417-I420 PolarHBondContact O-N 2.85Å; I420-S422 VanDerWaalsContact C-N 3.27Å; I420-S422 PolarHBondContact O-N 3.15Å; I420-C423 CarbonylContact O-C 3.54Å; I420-C423 PolarHBondContact O-N 3.21Å; I420-C423 VanDerWaalsContact O-N 3.13Å; I420-L427 HydrophobicContact CG2-CD1 4.03Å; I420-L427 HydrophobicContact CG2-CG 4.49Å; I420-M442 HydrophobicContact CG2-SD 4.31Å; I420-A445 HydrophobicContact CD1-CB 3.87Å; I420-A445 HydrophobicContact CG2-CB 4.01Å; I420-I449 HydrophobicContact CG2-CD1 4.3Å
421A90.6Very high89.4Confident17 Ų1744.7 Ų44.714%0.1423%0.225CC..Hα-helixtrans-64-29.7178.900000113.3L411 L417 M418 I449L411-A421 HydrophobicContact CD2-CB 3.92Å; L417-A421 VanDerWaalsContact O-CB 3.22Å; L417-A421 WeakPolarHBondContact O-CB 3.37Å; L417-A421 PolarHBondContact O-N 3.45Å; M418-A421 PolarHBondContact O-N 3.04Å; A421-I449 HydrophobicContact CB-CD1 3.79Å; A421-I449 HydrophobicContact CB-CG1 4.23Å
422S90.2Very high89.5Confident83 Ų8345.4 Ų45.458%0.5823%0.228SC*.Hα-helixtrans-77-24.6175.3-63.40000113.2M418 R419 I420M418-S422 WeakPolarHBondContact O-CB 3.44Å; M418-S422 PolarHBondContact O-N 3.11Å; M418-S422 PolarHBondContact O-OG 3.28Å; R419-S422 PolarHBondContact O-N 3.19Å; I420-S422 VanDerWaalsContact C-N 3.27Å; I420-S422 PolarHBondContact O-N 3.15Å
423C88.3Confident89.5Confident25 Ų2542.6 Ų42.617%0.16921%0.208CC..  trans-105.375.8-178.4-159.60000111.9R419 I420 Q425 L426 L427R419-C423 PolarHBondContact O-N 2.79Å; R419-C423 VanDerWaalsContact O-N 3.11Å; I420-C423 CarbonylContact O-C 3.54Å; I420-C423 PolarHBondContact O-N 3.21Å; I420-C423 VanDerWaalsContact O-N 3.13Å; C423-Q425 VanDerWaalsContact C-N 3.31Å; C423-Q425 PolarHBondContact O-N 3.06Å; C423-L426 HydrophobicContact CB-CB 4.11Å; C423-L426 PolarHBondContact O-N 3.01Å; C423-L426 VanDerWaalsContact SG-CB 3.58Å; C423-L427 PolarHBondContact O-N 3.28Å
424R85.2Confident89.4Confident103 Ų10342.7 Ų42.739%0.38922%0.224SC..Hα-helixtrans-52-47.5179.9-73.3-178.6177.5168.1-8.1112.3L426 L427 F428 E460 E509R424-L426 PolarHBondContact O-N 3.41Å; R424-L427 WeakPolarHBondContact O-CB 3.39Å; R424-L427 PolarHBondContact O-N 3.2Å; R424-L427 VanDerWaalsContact O-N 3.14Å; R424-F428 HydrophobicContact CB-CD2 4.21Å; R424-F428 HydrophobicContact CB-CE2 3.9Å; R424-F428 HydrophobicContact CG-CE2 4.32Å; R424-F428 WeakPolarHBondContact O-CD2 3.27Å; R424-F428 PolarHBondContact O-N 3.47Å; R424-E460 IonicContact NH2-OE1 3.48Å; R424-E509 IonicContact NH1-OE2 3.89Å
425Q85Confident89.2Confident117 Ų11745.2 Ų45.255%0.54724%0.238SC..Hα-helixtrans-58.7-43.7-177.4-69.2-63.5-22.200113.3C423 K429 I510C423-Q425 VanDerWaalsContact C-N 3.31Å; C423-Q425 PolarHBondContact O-N 3.06Å; Q425-K429 VanDerWaalsContact O-CB 3.32Å; Q425-K429 WeakPolarHBondContact O-CB 3.36Å; Q425-K429 PolarHBondContact O-N 3.46Å; Q425-I510 PolarHBondContact NE2-O 3.4Å
426L87Confident89.1Confident9 Ų950.6 Ų50.65%0.04726%0.26CS..Hα-helixtrans-64-43.3176.6176.6142.4000111.4L366 F370 E371 C423 R424 S430 M442L366-L426 HydrophobicContact CB-CD1 4.33Å; F370-L426 HydrophobicContact CB-CD1 4.07Å; F370-L426 HydrophobicContact CB-CG 4.31Å; E371-L426 HydrophobicContact CG-CD1 3.77Å; E371-L426 WeakPolarHBondContact OE1-CD1 3.37Å; C423-L426 HydrophobicContact CB-CB 4.11Å; C423-L426 PolarHBondContact O-N 3.01Å; C423-L426 VanDerWaalsContact SG-CB 3.58Å; R424-L426 PolarHBondContact O-N 3.41Å; L426-S430 WeakPolarHBondContact O-CB 3.32Å; L426-S430 PolarHBondContact O-N 3.32Å; L426-S430 VanDerWaalsContact O-N 3.11Å; L426-S430 PolarHBondContact O-OG 3.15Å; L426-M442 HydrophobicContact CD2-CE 3.53Å; L426-M442 HydrophobicContact CD2-SD 4.26Å
427L90Very high88.9Confident1 Ų152.9 Ų52.91%0.00527%0.271CS..Hα-helixtrans-58.9-52.8177.4-174161000110.6I420 C423 R424 S430 L431 V446 I449 Y461I420-L427 HydrophobicContact CG2-CD1 4.03Å; I420-L427 HydrophobicContact CG2-CG 4.49Å; C423-L427 PolarHBondContact O-N 3.28Å; R424-L427 WeakPolarHBondContact O-CB 3.39Å; R424-L427 PolarHBondContact O-N 3.2Å; R424-L427 VanDerWaalsContact O-N 3.14Å; L427-S430 PolarHBondContact O-N 3Å; L427-L431 HydrophobicContact CD2-CB 4.43Å; L427-L431 HydrophobicContact CD2-CD2 4.22Å; L427-L431 WeakPolarHBondContact O-CB 3.42Å; L427-L431 PolarHBondContact O-N 3.23Å; L427-V446 HydrophobicContact CD1-CG2 3.99Å; L427-V446 HydrophobicContact CD2-CG2 3.81Å; L427-V446 HydrophobicContact CG-CG2 4.08Å; L427-I449 HydrophobicContact CD1-CD1 4.33Å; L427-Y461 HydrophobicContact CD1-CE1 3.75Å; L427-Y461 WeakPolarHBondContact CD1-OH 3.17Å; L427-Y461 HydrophobicContact CD2-CD1 4.37Å; L427-Y461 HydrophobicContact CD2-CE1 3.73Å; L427-Y461 HydrophobicContact CG-CE1 4.44Å
428F87.5Confident88.8Confident12 Ų1255.1 Ų55.15%0.05328%0.279CS..Hα-helixtrans-66.1-46.2-176.9-69.9-65.6000113.2R424 S430 L431 F432 Y461 Y464 I510R424-F428 HydrophobicContact CB-CD2 4.21Å; R424-F428 HydrophobicContact CB-CE2 3.9Å; R424-F428 HydrophobicContact CG-CE2 4.32Å; R424-F428 WeakPolarHBondContact O-CD2 3.27Å; R424-F428 PolarHBondContact O-N 3.47Å; F428-S430 PolarHBondContact O-N 2.87Å; F428-L431 PolarHBondContact O-N 3.32Å; F428-F432 HydrophobicContact CB-CD2 4.49Å; F428-F432 HydrophobicContact CD1-CD2 4.43Å; F428-F432 AromaticContact CD1-CE2 3.78Å; F428-F432 HydrophobicContact CD1-CE2 3.78Å; F428-F432 VanDerWaalsContact O-CD2 3.31Å; F428-F432 WeakPolarHBondContact O-CD2 3.4Å; F428-F432 PolarHBondContact O-N 2.97Å; F428-Y461 HydrophobicContact CZ-CD1 4.43Å; F428-Y461 HydrophobicContact CZ-CE1 4.15Å; F428-Y464 VanDerWaalsContact CE1-CB 3.5Å; F428-Y464 HydrophobicContact CE1-CD1 4.46Å; F428-Y464 AromaticContact CE1-CD2 3.33Å; F428-Y464 HydrophobicContact CE1-CD2 3.33Å; F428-Y464 HydrophobicContact CE1-CE2 4.08Å; F428-Y464 AromaticContact CE1-CG 3.53Å; F428-Y464 HydrophobicContact CE1-CG 3.53Å; F428-Y464 HydrophobicContact CE2-CD2 4.32Å; F428-Y464 HydrophobicContact CE2-CE2 4.27Å; F428-Y464 HydrophobicContact CZ-CD1 4.46Å; F428-Y464 AromaticContact CZ-CD2 3.11Å; F428-Y464 HydrophobicContact CZ-CD2 3.11Å; F428-Y464 AromaticContact CZ-CE2 3.38Å; F428-Y464 HydrophobicContact CZ-CE2 3.38Å; F428-Y464 AromaticContact CZ-CG 3.7Å; F428-Y464 HydrophobicContact CZ-CG 3.7Å; F428-I510 HydrophobicContact CB-CG2 4.49Å; F428-I510 HydrophobicContact CD2-CD1 3.79Å; F428-I510 HydrophobicContact CD2-CG2 3.44Å; F428-I510 VanDerWaalsContact CD2-CG2 3.44Å; F428-I510 HydrophobicContact CE1-CD1 4.46Å; F428-I510 HydrophobicContact CE2-CD1 3.23Å; F428-I510 HydrophobicContact CE2-CG1 4.45Å; F428-I510 HydrophobicContact CE2-CG2 4.03Å; F428-I510 HydrophobicContact CG-CG2 3.99Å; F428-I510 HydrophobicContact CZ-CD1 3.62Å
429K87.3Confident88.8Confident159 Ų15952.7 Ų52.769%0.69127%0.266SS*.Hα-helixtrans-58.5-34178-174.1179.3179.3-176.50111.9Q425 S433Q425-K429 VanDerWaalsContact O-CB 3.32Å; Q425-K429 WeakPolarHBondContact O-CB 3.36Å; Q425-K429 PolarHBondContact O-N 3.46Å; K429-S433 WeakPolarHBondContact O-CB 3.37Å; K429-S433 PolarHBondContact O-N 3.17Å
430S89.1Confident88.8Confident5 Ų552.2 Ų52.24%0.03527%0.271CS..Hα-helixtrans-88.1-37.9-176.3-54.50000112.4F370 L426 L427 F428 F432 S433 M442F370-S430 VanDerWaalsContact CD1-OG 3.27Å; F370-S430 WeakPolarHBondContact CD1-OG 3.33Å; L426-S430 WeakPolarHBondContact O-CB 3.32Å; L426-S430 PolarHBondContact O-N 3.32Å; L426-S430 VanDerWaalsContact O-N 3.11Å; L426-S430 PolarHBondContact O-OG 3.15Å; L427-S430 PolarHBondContact O-N 3Å; F428-S430 PolarHBondContact O-N 2.87Å; S430-F432 VanDerWaalsContact C-N 3.34Å; S430-S433 WeakPolarHBondContact O-CB 3.4Å; S430-S433 PolarHBondContact O-N 3.33Å; S430-S433 PolarHBondContact O-OG 2.94Å; S430-M442 VanDerWaalsContact CB-CG 3.46Å
431L92.3Very high88.9Confident1 Ų152.2 Ų52.21%0.00527%0.271CS..Hα-helixtrans-61.2-41.9173.4-173.669.4000111.2L427 F428 S433 R439 M442 F443 V446 I465 L477L427-L431 HydrophobicContact CD2-CB 4.43Å; L427-L431 HydrophobicContact CD2-CD2 4.22Å; L427-L431 WeakPolarHBondContact O-CB 3.42Å; L427-L431 PolarHBondContact O-N 3.23Å; F428-L431 PolarHBondContact O-N 3.32Å; L431-S433 VanDerWaalsContact C-N 3.34Å; L431-R439 VanDerWaalsContact O-CG 3.3Å; L431-R439 WeakPolarHBondContact O-CG 3.24Å; L431-M442 HydrophobicContact CB-CB 4.44Å; L431-M442 HydrophobicContact CD1-CB 4.41Å; L431-F443 HydrophobicContact CD1-CB 4.21Å; L431-V446 HydrophobicContact CD1-CG2 4.34Å; L431-V446 HydrophobicContact CD2-CG2 4.36Å; L431-I465 HydrophobicContact CD2-CG1 4.48Å; L431-L477 HydrophobicContact CD1-CD1 3.91Å; L431-L477 HydrophobicContact CG-CD1 4Å
432F90.4Very high89.1Confident31 Ų3151.4 Ų51.414%0.13626%0.264CS..THydrogen-bonded Turntrans-95.517.9176.2-55.8-61000113.2F428 S430 I465 F468 A469 Q474F428-F432 HydrophobicContact CB-CD2 4.49Å; F428-F432 HydrophobicContact CD1-CD2 4.43Å; F428-F432 AromaticContact CD1-CE2 3.78Å; F428-F432 HydrophobicContact CD1-CE2 3.78Å; F428-F432 VanDerWaalsContact O-CD2 3.31Å; F428-F432 WeakPolarHBondContact O-CD2 3.4Å; F428-F432 PolarHBondContact O-N 2.97Å; S430-F432 VanDerWaalsContact C-N 3.34Å; F432-I465 HydrophobicContact CE1-CG1 4.31Å; F432-I465 HydrophobicContact CZ-CG1 4.19Å; F432-F468 HydrophobicContact CD2-CB 4.02Å; F432-F468 HydrophobicContact CE2-CB 3.51Å; F432-F468 HydrophobicContact CE2-CD2 4.35Å; F432-F468 HydrophobicContact CE2-CG 4.32Å; F432-F468 HydrophobicContact CZ-CB 3.85Å; F432-A469 HydrophobicContact CE1-CB 4.46Å; F432-Q474 HydrophobicContact CD1-CB 4.11Å; F432-Q474 HydrophobicContact CD1-CG 4.1Å; F432-Q474 PolarHBondContact O-NE2 3.47Å
433S88.3Confident89.4Confident19 Ų1948.2 Ų48.213%0.13324%0.24CC..  trans-70.4150.2177.272.40000111.8K429 S430 L431 N435 R438 R439K429-S433 WeakPolarHBondContact O-CB 3.37Å; K429-S433 PolarHBondContact O-N 3.17Å; S430-S433 WeakPolarHBondContact O-CB 3.4Å; S430-S433 PolarHBondContact O-N 3.33Å; S430-S433 PolarHBondContact O-OG 2.94Å; L431-S433 VanDerWaalsContact C-N 3.34Å; S433-N435 PolarHBondContact O-N 3.34Å; S433-N435 PolarHBondContact OG-O 2.91Å; S433-R438 WeakPolarHBondContact OG-CB 3.41Å; S433-R439 PolarHBondContact O-NE 2.82Å; S433-R439 PolarHBondContact O-NH2 2.87Å
434S83.8Confident89.7Confident121 Ų12149.6 Ų49.685%0.84624%0.243SC*.SBendtrans-68.5-10.8172.2-410000113
435N87.1Confident90.2Very high75 Ų7544.7 Ų44.740%0.40122%0.224SC..  trans-89.3108.7178.6-174.4-43.1000109.7S433 Q437 R438 R439S433-N435 PolarHBondContact O-N 3.34Å; S433-N435 PolarHBondContact OG-O 2.91Å; N435-Q437 VanDerWaalsContact C-N 3.29Å; N435-Q437 PolarHBondContact O-N 3.18Å; N435-Q437 WeakPolarHBondContact OD1-CB 3.42Å; N435-Q437 PolarHBondContact OD1-N 3.39Å; N435-Q437 VanDerWaalsContact OD1-N 3.1Å; N435-R438 HydrophobicContact CB-CB 4.2Å; N435-R438 HydrophobicContact CB-CG 4.13Å; N435-R438 PolarHBondContact O-N 3.06Å; N435-R438 VanDerWaalsContact O-N 3.11Å; N435-R438 PolarHBondContact OD1-N 3.48Å; N435-R439 PolarHBondContact O-N 3.02Å
436E88.1Confident90.7Very high148 Ų14839.1 Ų39.169%0.69220%0.199SC*.Hα-helixtrans-50.6-45.5-179.4-173.4-173.7173.100112.7R438 R439 V440E436-R438 VanDerWaalsContact C-N 3.33Å; E436-R438 PolarHBondContact O-N 3.3Å; E436-R439 WeakPolarHBondContact O-CB 3.22Å; E436-R439 PolarHBondContact O-N 3.01Å; E436-R439 VanDerWaalsContact O-N 3.15Å; E436-V440 HydrophobicContact CG-CG2 4.35Å; E436-V440 WeakPolarHBondContact O-CG2 3.42Å; E436-V440 PolarHBondContact O-N 3.1Å
437Q88.7Confident91Very high47 Ų4740.9 Ų40.922%0.2221%0.205CC..Hα-helixtrans-64.5-38.3-177.6-162.7-170.7-17.800112.3V389 N435 C441V389-Q437 HydrophobicContact CG1-CB 4.49Å; V389-Q437 HydrophobicContact CG1-CG 3.82Å; N435-Q437 VanDerWaalsContact C-N 3.29Å; N435-Q437 PolarHBondContact O-N 3.18Å; N435-Q437 WeakPolarHBondContact OD1-CB 3.42Å; N435-Q437 PolarHBondContact OD1-N 3.39Å; N435-Q437 VanDerWaalsContact OD1-N 3.1Å; Q437-C441 VanDerWaalsContact O-CB 3.3Å; Q437-C441 WeakPolarHBondContact O-CB 3.45Å; Q437-C441 PolarHBondContact O-N 3.43Å; Q437-C441 VanDerWaalsContact O-N 3.11Å
438R90.8Very high91.2Very high48 Ų4841 Ų4118%0.18121%0.206CC..Hα-helixtrans-68-39.5175.5-69.7-174.5-178.8-174.53111.3A369 F370 V389 S433 N435 E436 M442A369-R438 PolarHBondContact O-NH2 2.89Å; F370-R438 HydrophobicContact CD1-CB 4.33Å; F370-R438 HydrophobicContact CD1-CG 4.11Å; F370-R438 HydrophobicContact CE1-CB 3.88Å; F370-R438 HydrophobicContact CE1-CG 3.84Å; V389-R438 HydrophobicContact CG2-CG 4.06Å; S433-R438 WeakPolarHBondContact OG-CB 3.41Å; N435-R438 HydrophobicContact CB-CB 4.2Å; N435-R438 HydrophobicContact CB-CG 4.13Å; N435-R438 PolarHBondContact O-N 3.06Å; N435-R438 VanDerWaalsContact O-N 3.11Å; N435-R438 PolarHBondContact OD1-N 3.48Å; E436-R438 VanDerWaalsContact C-N 3.33Å; E436-R438 PolarHBondContact O-N 3.3Å; R438-M442 WeakPolarHBondContact O-CB 3.44Å; R438-M442 WeakPolarHBondContact O-CG 3.22Å; R438-M442 PolarHBondContact O-N 3.5Å
439R91.6Very high91.5Very high17 Ų1740.5 Ų40.56%0.06420%0.203CC..Hα-helixtrans-62.2-51.9176.1179.3-178.7-42.1159.911.2111.4L431 S433 N435 E436 C441 M442 F443 E473 L477L431-R439 VanDerWaalsContact O-CG 3.3Å; L431-R439 WeakPolarHBondContact O-CG 3.24Å; S433-R439 PolarHBondContact O-NE 2.82Å; S433-R439 PolarHBondContact O-NH2 2.87Å; N435-R439 PolarHBondContact O-N 3.02Å; E436-R439 WeakPolarHBondContact O-CB 3.22Å; E436-R439 PolarHBondContact O-N 3.01Å; E436-R439 VanDerWaalsContact O-N 3.15Å; R439-C441 PolarHBondContact O-N 3Å; R439-M442 PolarHBondContact O-N 3.29Å; R439-F443 WeakPolarHBondContact O-CB 3.4Å; R439-F443 PolarHBondContact O-N 2.83Å; R439-E473 IonicContact CZ-OE2 3.06Å; R439-E473 IonicContact NH1-OE2 3.14Å; R439-E473 PolarHBondContact NH1-OE2 3.49Å; R439-E473 IonicContact NH2-OE2 2.7Å; R439-E473 PolarHBondContact NH2-OE2 3.24Å; R439-L477 HydrophobicContact CG-CD1 4.03Å; R439-L477 HydrophobicContact CG-CD2 4.05Å
440V92.3Very high91.8Very high59 Ų5932.9 Ų32.936%0.35817%0.17SC..Hα-helixtrans-59.6-46.2179.1172.30000111.3E436 M442 F443 K444E436-V440 HydrophobicContact CG-CG2 4.35Å; E436-V440 WeakPolarHBondContact O-CG2 3.42Å; E436-V440 PolarHBondContact O-N 3.1Å; V440-M442 VanDerWaalsContact C-N 3.33Å; V440-M442 PolarHBondContact O-N 3.42Å; V440-F443 PolarHBondContact O-N 3.11Å; V440-K444 WeakPolarHBondContact O-CG 3.25Å; V440-K444 PolarHBondContact O-N 3.3Å
441C94.2Very high91.8Very high0 Ų034.5 Ų34.50%018%0.178CC..Hα-helixtrans-58.6-44.8177-178.10000111.8V389 E393 L396 Q437 R439 K444 A445V389-C441 HydrophobicContact CG1-CB 4.06Å; E393-C441 HydrophobicContact CB-CB 4.42Å; L396-C441 VanDerWaalsContact CD1-O 3.23Å; L396-C441 WeakPolarHBondContact CD1-O 3.42Å; Q437-C441 VanDerWaalsContact O-CB 3.3Å; Q437-C441 WeakPolarHBondContact O-CB 3.45Å; Q437-C441 PolarHBondContact O-N 3.43Å; Q437-C441 VanDerWaalsContact O-N 3.11Å; R439-C441 PolarHBondContact O-N 3Å; C441-K444 PolarHBondContact O-N 2.96Å; C441-A445 PolarHBondContact O-N 3.29Å
442M94.7Very high91.8Very high0 Ų035.9 Ų35.90%019%0.186CC..Hα-helixtrans-73.9-33.5179.6-73.7-76.9162.200113.2L366 F370 I420 L426 S430 L431 R438 R439 V440 K444 A445 V446L366-M442 HydrophobicContact CD2-CE 4.44Å; F370-M442 HydrophobicContact CD1-CE 3.91Å; F370-M442 HydrophobicContact CD2-CE 3.66Å; F370-M442 HydrophobicContact CE1-CE 3.55Å; F370-M442 HydrophobicContact CE1-CG 4.12Å; F370-M442 HydrophobicContact CE2-CE 3.31Å; F370-M442 HydrophobicContact CG-CE 3.98Å; F370-M442 HydrophobicContact CZ-CE 3.26Å; F370-M442 HydrophobicContact CZ-CG 4.39Å; I420-M442 HydrophobicContact CG2-SD 4.31Å; L426-M442 HydrophobicContact CD2-CE 3.53Å; L426-M442 HydrophobicContact CD2-SD 4.26Å; S430-M442 VanDerWaalsContact CB-CG 3.46Å; L431-M442 HydrophobicContact CB-CB 4.44Å; L431-M442 HydrophobicContact CD1-CB 4.41Å; R438-M442 WeakPolarHBondContact O-CB 3.44Å; R438-M442 WeakPolarHBondContact O-CG 3.22Å; R438-M442 PolarHBondContact O-N 3.5Å; R439-M442 PolarHBondContact O-N 3.29Å; V440-M442 VanDerWaalsContact C-N 3.33Å; V440-M442 PolarHBondContact O-N 3.42Å; M442-K444 VanDerWaalsContact C-N 3.35Å; M442-A445 WeakPolarHBondContact O-CB 3.32Å; M442-A445 PolarHBondContact O-N 3.11Å; M442-A445 VanDerWaalsContact O-N 3.15Å; M442-V446 WeakPolarHBondContact O-CG2 3.32Å; M442-V446 PolarHBondContact O-N 3.2Å
443F95.6Very high91.8Very high16 Ų1639.9 Ų39.97%0.0720%0.203CC..Hα-helixtrans-60.6-45172.5-178.4-97000111L431 R439 V440 A445 V446 Y447 L477 E480 L481 V484L431-F443 HydrophobicContact CD1-CB 4.21Å; R439-F443 WeakPolarHBondContact O-CB 3.4Å; R439-F443 PolarHBondContact O-N 2.83Å; V440-F443 PolarHBondContact O-N 3.11Å; F443-A445 VanDerWaalsContact C-N 3.28Å; F443-A445 PolarHBondContact O-N 3.13Å; F443-V446 PolarHBondContact O-N 3.29Å; F443-V446 VanDerWaalsContact O-N 3.17Å; F443-Y447 WeakPolarHBondContact O-CB 3.47Å; F443-Y447 PolarHBondContact O-N 3.04Å; F443-L477 HydrophobicContact CB-CD2 4.41Å; F443-L477 HydrophobicContact CD2-CB 4.18Å; F443-L477 HydrophobicContact CD2-CD2 3.69Å; F443-L477 HydrophobicContact CD2-CG 4.44Å; F443-L477 HydrophobicContact CE2-CB 4.19Å; F443-L477 HydrophobicContact CE2-CD2 4.22Å; F443-L477 HydrophobicContact CG-CD2 4.18Å; F443-E480 HydrophobicContact CE1-CB 4.47Å; F443-E480 HydrophobicContact CE1-CG 3.78Å; F443-E480 WeakPolarHBondContact CE1-OE1 3.36Å; F443-E480 HydrophobicContact CE2-CB 4.25Å; F443-E480 HydrophobicContact CE2-CG 4.42Å; F443-E480 HydrophobicContact CZ-CB 3.76Å; F443-E480 HydrophobicContact CZ-CG 3.54Å; F443-L481 HydrophobicContact CE2-CB 3.89Å; F443-L481 HydrophobicContact CE2-CD1 4.48Å; F443-L481 HydrophobicContact CZ-CB 4.14Å; F443-V484 HydrophobicContact CZ-CG2 4.39Å
444K94.9Very high91.9Very high53 Ų5340 Ų4023%0.2321%0.207CC..Hα-helixtrans-56.2-41.7171.8-72.8178174.2-174.50112.1E393 L396 D397 V440 C441 M442 Y447 L448E393-K444 HydrophobicContact CG-CD 4.02Å; E393-K444 IonicContact OE1-NZ 3.3Å; E393-K444 PolarHBondContact OE1-NZ 3.17Å; L396-K444 HydrophobicContact CD1-CB 4.38Å; D397-K444 WeakPolarHBondContact OD1-CE 3.2Å; D397-K444 IonicContact OD1-NZ 3.59Å; D397-K444 PolarHBondContact OD1-NZ 3.36Å; D397-K444 IonicContact OD2-NZ 3.83Å; D397-K444 PolarHBondContact OD2-NZ 3.26Å; V440-K444 WeakPolarHBondContact O-CG 3.25Å; V440-K444 PolarHBondContact O-N 3.3Å; C441-K444 PolarHBondContact O-N 2.96Å; M442-K444 VanDerWaalsContact C-N 3.35Å; K444-Y447 PolarHBondContact O-N 3.14Å; K444-L448 VanDerWaalsContact O-CG 3.32Å; K444-L448 WeakPolarHBondContact O-CG 3.25Å; K444-L448 PolarHBondContact O-N 3.43Å
445A95.5Very high92.2Very high0 Ų040.4 Ų40.40%019%0.19CC..Hα-helixtrans-65.4-44.3176.800000112.2L396 L417 I420 C441 M442 F443 L448 I449L396-A445 HydrophobicContact CD1-CB 3.96Å; L396-A445 HydrophobicContact CD2-CB 4.12Å; L417-A445 HydrophobicContact CD2-CB 4.25Å; I420-A445 HydrophobicContact CD1-CB 3.87Å; I420-A445 HydrophobicContact CG2-CB 4.01Å; C441-A445 PolarHBondContact O-N 3.29Å; M442-A445 WeakPolarHBondContact O-CB 3.32Å; M442-A445 PolarHBondContact O-N 3.11Å; M442-A445 VanDerWaalsContact O-N 3.15Å; F443-A445 VanDerWaalsContact C-N 3.28Å; F443-A445 PolarHBondContact O-N 3.13Å; A445-L448 PolarHBondContact O-N 3.46Å; A445-I449 WeakPolarHBondContact O-CD1 3.43Å; A445-I449 WeakPolarHBondContact O-CG1 3.31Å; A445-I449 PolarHBondContact O-N 2.8Å
446V95.4Very high92.5Very high1 Ų141.7 Ų41.71%0.00620%0.196CC..Hα-helixtrans-59.4-48.3174.9169.90000110.4L427 L431 M442 F443 L448 I449 C450 Y461 L481L427-V446 HydrophobicContact CD1-CG2 3.99Å; L427-V446 HydrophobicContact CD2-CG2 3.81Å; L427-V446 HydrophobicContact CG-CG2 4.08Å; L431-V446 HydrophobicContact CD1-CG2 4.34Å; L431-V446 HydrophobicContact CD2-CG2 4.36Å; M442-V446 WeakPolarHBondContact O-CG2 3.32Å; M442-V446 PolarHBondContact O-N 3.2Å; F443-V446 PolarHBondContact O-N 3.29Å; F443-V446 VanDerWaalsContact O-N 3.17Å; V446-L448 PolarHBondContact O-N 3.17Å; V446-I449 PolarHBondContact O-N 2.79Å; V446-C450 WeakPolarHBondContact O-CB 3.38Å; V446-C450 PolarHBondContact O-N 3.31Å; V446-C450 PolarHBondContact O-SG 2.84Å; V446-Y461 HydrophobicContact CG1-CD1 3.86Å; V446-Y461 HydrophobicContact CG1-CD2 4Å; V446-Y461 HydrophobicContact CG1-CE1 4.38Å; V446-Y461 HydrophobicContact CG1-CE2 4.49Å; V446-Y461 HydrophobicContact CG1-CG 3.66Å; V446-Y461 HydrophobicContact CG2-CD1 4.12Å; V446-Y461 HydrophobicContact CG2-CE1 4.04Å; V446-L481 HydrophobicContact CG1-CD1 4.44Å; V446-L481 HydrophobicContact CG1-CD2 4.23Å
447Y94.1Very high92.7Very high46 Ų4635.7 Ų35.718%0.1817%0.17CC..Hα-helixtrans-53.6-49.7175.6166.1-111.5000112F443 K444 I449 C450 L451 V484 T485F443-Y447 WeakPolarHBondContact O-CB 3.47Å; F443-Y447 PolarHBondContact O-N 3.04Å; K444-Y447 PolarHBondContact O-N 3.14Å; Y447-I449 PolarHBondContact O-N 3.24Å; Y447-C450 WeakPolarHBondContact O-CB 3.33Å; Y447-C450 PolarHBondContact O-N 2.87Å; Y447-L451 HydrophobicContact CE1-CD1 4.08Å; Y447-L451 HydrophobicContact CE2-CD1 3.76Å; Y447-L451 VanDerWaalsContact CZ-CD1 3.42Å; Y447-L451 WeakPolarHBondContact O-CB 2.92Å; Y447-L451 PolarHBondContact O-N 2.9Å; Y447-L451 WeakPolarHBondContact OH-CD1 3.37Å; Y447-V484 HydrophobicContact CD2-CB 4.08Å; Y447-V484 HydrophobicContact CD2-CG2 3.44Å; Y447-V484 VanDerWaalsContact CD2-CG2 3.44Å; Y447-V484 HydrophobicContact CE2-CB 3.92Å; Y447-V484 HydrophobicContact CE2-CG2 3.78Å; Y447-V484 HydrophobicContact CG-CG2 4.31Å; Y447-T485 HydrophobicContact CD2-CG2 4.32Å
448L93.9Very high92.9Very high3 Ų333.5 Ų33.52%0.01616%0.159CC..Hα-helixtrans-64.6-39.5178.4-68.8169.7000112.5L396 I399 C400 V403 L417 K444 A445 V446 L451 I452L396-L448 HydrophobicContact CB-CD1 4.28Å; L396-L448 HydrophobicContact CD2-CD1 4.16Å; I399-L448 HydrophobicContact CB-CD1 4.46Å; I399-L448 HydrophobicContact CG2-CD1 4.22Å; C400-L448 HydrophobicContact CB-CD1 4.4Å; C400-L448 HydrophobicContact CB-CD2 3.84Å; V403-L448 HydrophobicContact CB-CD2 4.46Å; V403-L448 HydrophobicContact CG2-CD2 4.39Å; L417-L448 HydrophobicContact CD1-CB 3.82Å; L417-L448 HydrophobicContact CD1-CD1 4.24Å; L417-L448 HydrophobicContact CD2-CB 3.93Å; L417-L448 HydrophobicContact CD2-CD1 4.12Å; K444-L448 VanDerWaalsContact O-CG 3.32Å; K444-L448 WeakPolarHBondContact O-CG 3.25Å; K444-L448 PolarHBondContact O-N 3.43Å; A445-L448 PolarHBondContact O-N 3.46Å; V446-L448 PolarHBondContact O-N 3.17Å; L448-L451 PolarHBondContact O-N 2.82Å; L448-I452 WeakPolarHBondContact O-CB 3.3Å; L448-I452 WeakPolarHBondContact O-CD1 3.32Å; L448-I452 VanDerWaalsContact O-CG1 3.25Å; L448-I452 WeakPolarHBondContact O-CG1 3.35Å; L448-I452 PolarHBondContact O-N 2.94Å
449I93.9Very high93Very high1 Ų131.2 Ų31.21%0.00515%0.151CC..Hα-helixtrans-62.7-45175.2-68.1162.4000110.3L411 L417 I420 A421 L427 A445 V446 Y447 I452 K453 Y461L411-I449 HydrophobicContact CD1-CG1 4.48Å; L417-I449 HydrophobicContact CD2-CG1 4.38Å; I420-I449 HydrophobicContact CG2-CD1 4.3Å; A421-I449 HydrophobicContact CB-CD1 3.79Å; A421-I449 HydrophobicContact CB-CG1 4.23Å; L427-I449 HydrophobicContact CD1-CD1 4.33Å; A445-I449 WeakPolarHBondContact O-CD1 3.43Å; A445-I449 WeakPolarHBondContact O-CG1 3.31Å; A445-I449 PolarHBondContact O-N 2.8Å; V446-I449 PolarHBondContact O-N 2.79Å; Y447-I449 PolarHBondContact O-N 3.24Å; I449-I452 PolarHBondContact O-N 2.86Å; I449-K453 HydrophobicContact CG2-CD 4.12Å; I449-K453 HydrophobicContact CG2-CG 4.43Å; I449-K453 WeakPolarHBondContact O-CB 3.18Å; I449-K453 PolarHBondContact O-N 3.27Å; I449-Y461 HydrophobicContact CG2-CE2 3.93Å
450C92.9Very high93.1Very high0 Ų031.4 Ų31.40%015%0.152CC..Hα-helixtrans-58.6-45.4175.4-78.80000111.7V446 Y447 I452 G454 T458 T485 Q489V446-C450 WeakPolarHBondContact O-CB 3.38Å; V446-C450 PolarHBondContact O-N 3.31Å; V446-C450 PolarHBondContact O-SG 2.84Å; Y447-C450 WeakPolarHBondContact O-CB 3.33Å; Y447-C450 PolarHBondContact O-N 2.87Å; C450-I452 VanDerWaalsContact C-N 3.34Å; C450-I452 PolarHBondContact O-N 3.17Å; C450-G454 WeakPolarHBondContact O-CA 3.35Å; C450-G454 PolarHBondContact O-N 3.46Å; C450-T458 WeakPolarHBondContact CB-OG1 3.27Å; C450-T458 VanDerWaalsContact SG-CA 3.59Å; C450-T458 PolarHBondContact SG-OG1 2.82Å; C450-T458 VanDerWaalsContact SG-OG1 3.34Å; C450-T485 HydrophobicContact CB-CG2 4.49Å; C450-Q489 PolarHBondContact O-NE2 3.31Å
451L90.1Very high93.2Very high38 Ų3829.3 Ų29.320%0.19914%0.138CC..Hα-helixtrans-64.6-39.5-179.8-150.7150.9000111.6V403 L404 Y447 L448 L488V403-L451 HydrophobicContact CG1-CD2 3.84Å; L404-L451 HydrophobicContact CD2-CD1 4.4Å; Y447-L451 HydrophobicContact CE1-CD1 4.08Å; Y447-L451 HydrophobicContact CE2-CD1 3.76Å; Y447-L451 VanDerWaalsContact CZ-CD1 3.42Å; Y447-L451 WeakPolarHBondContact O-CB 2.92Å; Y447-L451 PolarHBondContact O-N 2.9Å; Y447-L451 WeakPolarHBondContact OH-CD1 3.37Å; L448-L451 PolarHBondContact O-N 2.82Å; L451-L488 HydrophobicContact CD1-CD1 3.92Å; L451-L488 HydrophobicContact CD2-CD1 4.13Å; L451-L488 HydrophobicContact CG-CD1 3.84Å
452I91Very high93.1Very high31 Ų3129.3 Ų29.316%0.15914%0.138CC..Hα-helixtrans-75.8-44.4179.1-66.5166.4000112.6V403 V409 L411 F414 L417 L448 I449 C450V403-I452 HydrophobicContact CG1-CG1 4.23Å; V403-I452 HydrophobicContact CG2-CD1 4.1Å; V403-I452 HydrophobicContact CG2-CG1 4.46Å; V409-I452 HydrophobicContact CB-CG1 4.36Å; V409-I452 HydrophobicContact CG1-CD1 4.03Å; V409-I452 HydrophobicContact CG1-CG1 3.87Å; L411-I452 HydrophobicContact CB-CG2 3.95Å; L411-I452 HydrophobicContact CD1-CD1 3.83Å; L411-I452 HydrophobicContact CD1-CG2 4.38Å; F414-I452 HydrophobicContact CD2-CD1 4.19Å; F414-I452 HydrophobicContact CE2-CD1 4.41Å; L417-I452 HydrophobicContact CD1-CD1 3.83Å; L448-I452 WeakPolarHBondContact O-CB 3.3Å; L448-I452 WeakPolarHBondContact O-CD1 3.32Å; L448-I452 VanDerWaalsContact O-CG1 3.25Å; L448-I452 WeakPolarHBondContact O-CG1 3.35Å; L448-I452 PolarHBondContact O-N 2.94Å; I449-I452 PolarHBondContact O-N 2.86Å; C450-I452 VanDerWaalsContact C-N 3.34Å; C450-I452 PolarHBondContact O-N 3.17Å
453K91Very high93Very high114 Ų11429.3 Ų29.350%0.49614%0.139SC..Hα-helixtrans-90.4-16.9-172.9-72-166.6179-174.10114.1I449 T457I449-K453 HydrophobicContact CG2-CD 4.12Å; I449-K453 HydrophobicContact CG2-CG 4.43Å; I449-K453 WeakPolarHBondContact O-CB 3.18Å; I449-K453 PolarHBondContact O-N 3.27Å; K453-T457 HydrophobicContact CB-CG2 3.61Å; K453-T457 WeakPolarHBondContact CB-OG1 3.18Å; K453-T457 HydrophobicContact CD-CG2 3.7Å; K453-T457 HydrophobicContact CG-CG2 4.34Å
454G90.3Very high92.8Very high21 Ų2128.7 Ų28.722%0.21614%0.136CC..  trans94.2-171.717200000115.5C450 L456 T457 T458 Q489C450-G454 WeakPolarHBondContact O-CA 3.35Å; C450-G454 PolarHBondContact O-N 3.46Å; G454-L456 VanDerWaalsContact C-N 3.35Å; G454-L456 PolarHBondContact O-N 3.36Å; G454-T457 PolarHBondContact N-OG1 3.35Å; G454-T457 PolarHBondContact O-N 3.37Å; G454-T457 PolarHBondContact O-OG1 3.32Å; G454-T458 PolarHBondContact O-N 3.1Å; G454-T458 PolarHBondContact O-OG1 2.88Å; G454-Q489 VanDerWaalsContact CA-NE2 3.34Å; G454-Q489 PolarHBondContact O-OE1 2.85Å
455R90.6Very high92.8Very high130 Ų13026.2 Ų26.249%0.49113%0.125SC..Hα-helixtrans-58-35-169.764.5-177.4178.1-178.50.2115.7T458 A459 Q489 D491 A492R455-T458 PolarHBondContact O-N 3.43Å; R455-A459 WeakPolarHBondContact O-CB 3.49Å; R455-A459 PolarHBondContact O-N 3.33Å; R455-Q489 HydrophobicContact CB-CB 4.3Å; R455-D491 IonicContact NH1-OD2 3.5Å; R455-D491 PolarHBondContact NH1-OD2 2.97Å; R455-A492 HydrophobicContact CB-CB 4.25Å
456L93.2Very high92.6Very high102 Ų10226.2 Ų26.253%0.53413%0.125SC..Hα-helixtrans-69.7-36.2-178.5-62.5-179.9000111.8G454 E460G454-L456 VanDerWaalsContact C-N 3.35Å; G454-L456 PolarHBondContact O-N 3.36Å; L456-E460 PolarHBondContact O-N 3.04Å
457T92.5Very high92.4Very high23 Ų2326.4 Ų26.414%0.14113%0.126CC..Hα-helixtrans-73.8-32.2174.744.50000112.2K453 G454 E460 Y461K453-T457 HydrophobicContact CB-CG2 3.61Å; K453-T457 WeakPolarHBondContact CB-OG1 3.18Å; K453-T457 HydrophobicContact CD-CG2 3.7Å; K453-T457 HydrophobicContact CG-CG2 4.34Å; G454-T457 PolarHBondContact N-OG1 3.35Å; G454-T457 PolarHBondContact O-N 3.37Å; G454-T457 PolarHBondContact O-OG1 3.32Å; T457-E460 WeakPolarHBondContact O-CB 3.44Å; T457-E460 PolarHBondContact O-N 3.02Å; T457-Y461 WeakPolarHBondContact O-CD2 3.32Å; T457-Y461 PolarHBondContact O-N 3.4Å
458T93.7Very high92.3Very high0 Ų026 Ų260%013%0.125CC..Hα-helixtrans-65.3-43.5171.8-53.50000111.1C450 G454 R455 E460 Y461 L462 L481 T485 Q489 A492C450-T458 WeakPolarHBondContact CB-OG1 3.27Å; C450-T458 VanDerWaalsContact SG-CA 3.59Å; C450-T458 PolarHBondContact SG-OG1 2.82Å; C450-T458 VanDerWaalsContact SG-OG1 3.34Å; G454-T458 PolarHBondContact O-N 3.1Å; G454-T458 PolarHBondContact O-OG1 2.88Å; R455-T458 PolarHBondContact O-N 3.43Å; T458-E460 VanDerWaalsContact C-N 3.28Å; T458-E460 PolarHBondContact O-N 3.46Å; T458-Y461 PolarHBondContact O-N 3.26Å; T458-L462 HydrophobicContact CG2-CD1 4.18Å; T458-L462 HydrophobicContact CG2-CG 4.43Å; T458-L462 WeakPolarHBondContact O-CB 3.41Å; T458-L462 VanDerWaalsContact O-CG 3.26Å; T458-L462 WeakPolarHBondContact O-CG 3.35Å; T458-L462 PolarHBondContact O-N 3.07Å; T458-L481 HydrophobicContact CG2-CD2 4.47Å; T458-L481 HydrophobicContact CG2-CG 4.38Å; T458-T485 HydrophobicContact CG2-CG2 4.13Å; T458-Q489 VanDerWaalsContact CB-OE1 3.27Å; T458-Q489 PolarHBondContact OG1-OE1 3.16Å; T458-A492 HydrophobicContact CG2-CB 3.75Å
459A93Very high92.3Very high0 Ų025.8 Ų25.80%013%0.125CC..Hα-helixtrans-57.2-41.1170.900000112.1R455 G463 A492 C495 L496 Y503R455-A459 WeakPolarHBondContact O-CB 3.49Å; R455-A459 PolarHBondContact O-N 3.33Å; A459-G463 PolarHBondContact O-N 2.84Å; A459-A492 WeakPolarHBondContact CB-O 3.39Å; A459-C495 HydrophobicContact CB-CB 4.04Å; A459-L496 HydrophobicContact CB-CB 4.01Å; A459-Y503 HydrophobicContact CB-CD1 4.4Å; A459-Y503 HydrophobicContact CB-CE1 3.75Å; A459-Y503 HydrophobicContact CB-CE2 4.07Å
460E92.9Very high92.1Very high21 Ų2132.3 Ų32.310%0.09816%0.155CC..Hα-helixtrans-61-48.5175.7-178.8172.2149.500112.3R424 L456 T457 T458 G463 Y464 Y503 K506R424-E460 IonicContact NH2-OE1 3.48Å; L456-E460 PolarHBondContact O-N 3.04Å; T457-E460 WeakPolarHBondContact O-CB 3.44Å; T457-E460 PolarHBondContact O-N 3.02Å; T458-E460 VanDerWaalsContact C-N 3.28Å; T458-E460 PolarHBondContact O-N 3.46Å; E460-G463 PolarHBondContact O-N 3.18Å; E460-Y464 HydrophobicContact CG-CD2 4.22Å; E460-Y464 HydrophobicContact CG-CE1 4.29Å; E460-Y464 HydrophobicContact CG-CE2 3.4Å; E460-Y464 VanDerWaalsContact CG-CE2 3.4Å; E460-Y464 VanDerWaalsContact CG-CZ 3.45Å; E460-Y464 WeakPolarHBondContact CG-OH 3.5Å; E460-Y464 VanDerWaalsContact O-CD2 3.25Å; E460-Y464 WeakPolarHBondContact O-CD2 3.23Å; E460-Y464 VanDerWaalsContact O-CG 3.26Å; E460-Y464 PolarHBondContact O-N 2.84Å; E460-Y464 PolarHBondContact OE1-OH 3.18Å; E460-Y503 HydrophobicContact CB-CD1 4.04Å; E460-Y503 HydrophobicContact CB-CE1 4.12Å; E460-K506 HydrophobicContact CG-CD 4.2Å; E460-K506 IonicContact OE2-NZ 2.65Å; E460-K506 PolarHBondContact OE2-NZ 2.95Å
461Y93.3Very high92Very high15 Ų1535.4 Ų35.46%0.05917%0.174CC..Hα-helixtrans-68.8-38177.4-76.1-71.6000113.8L427 F428 V446 I449 T457 T458 G463 Y464 I465L427-Y461 HydrophobicContact CD1-CE1 3.75Å; L427-Y461 WeakPolarHBondContact CD1-OH 3.17Å; L427-Y461 HydrophobicContact CD2-CD1 4.37Å; L427-Y461 HydrophobicContact CD2-CE1 3.73Å; L427-Y461 HydrophobicContact CG-CE1 4.44Å; F428-Y461 HydrophobicContact CZ-CD1 4.43Å; F428-Y461 HydrophobicContact CZ-CE1 4.15Å; V446-Y461 HydrophobicContact CG1-CD1 3.86Å; V446-Y461 HydrophobicContact CG1-CD2 4Å; V446-Y461 HydrophobicContact CG1-CE1 4.38Å; V446-Y461 HydrophobicContact CG1-CE2 4.49Å; V446-Y461 HydrophobicContact CG1-CG 3.66Å; V446-Y461 HydrophobicContact CG2-CD1 4.12Å; V446-Y461 HydrophobicContact CG2-CE1 4.04Å; I449-Y461 HydrophobicContact CG2-CE2 3.93Å; T457-Y461 WeakPolarHBondContact O-CD2 3.32Å; T457-Y461 PolarHBondContact O-N 3.4Å; T458-Y461 PolarHBondContact O-N 3.26Å; Y461-G463 VanDerWaalsContact C-N 3.29Å; Y461-G463 PolarHBondContact O-N 3.31Å; Y461-Y464 AromaticContact CD1-CD2 3.87Å; Y461-Y464 HydrophobicContact CD1-CD2 3.87Å; Y461-Y464 HydrophobicContact CD1-CE2 4.44Å; Y461-Y464 HydrophobicContact CE1-CD2 4.34Å; Y461-Y464 HydrophobicContact CG-CD2 4.43Å; Y461-Y464 WeakPolarHBondContact O-CB 3.44Å; Y461-Y464 PolarHBondContact O-N 3.44Å; Y461-I465 WeakPolarHBondContact O-CG1 3.16Å; Y461-I465 PolarHBondContact O-N 2.98Å
462L93.5Very high92Very high0 Ų041.8 Ų41.80%020%0.203CC..Hα-helixtrans-59.9-42.8171.8-72.7174000110.8T458 Y464 I465 L466 F478 L481 C482 A492 L496T458-L462 HydrophobicContact CG2-CD1 4.18Å; T458-L462 HydrophobicContact CG2-CG 4.43Å; T458-L462 WeakPolarHBondContact O-CB 3.41Å; T458-L462 VanDerWaalsContact O-CG 3.26Å; T458-L462 WeakPolarHBondContact O-CG 3.35Å; T458-L462 PolarHBondContact O-N 3.07Å; L462-Y464 VanDerWaalsContact C-N 3.33Å; L462-Y464 PolarHBondContact O-N 3.38Å; L462-I465 PolarHBondContact O-N 3.14Å; L462-L466 WeakPolarHBondContact O-CG 3.25Å; L462-L466 PolarHBondContact O-N 3.31Å; L462-F478 HydrophobicContact CB-CD2 4.12Å; L462-F478 HydrophobicContact CB-CE2 3.7Å; L462-F478 HydrophobicContact CD2-CD1 4.48Å; L462-F478 HydrophobicContact CD2-CD2 3.59Å; L462-F478 HydrophobicContact CD2-CE2 3.73Å; L462-F478 HydrophobicContact CD2-CG 4Å; L462-F478 HydrophobicContact CD2-CZ 4.24Å; L462-F478 HydrophobicContact CG-CD2 4.46Å; L462-F478 HydrophobicContact CG-CE2 4.22Å; L462-L481 HydrophobicContact CD2-CB 4.08Å; L462-L481 HydrophobicContact CD2-CD2 3.86Å; L462-L481 HydrophobicContact CD2-CG 4.15Å; L462-L481 HydrophobicContact CG-CD2 4.07Å; L462-C482 WeakPolarHBondContact CD2-SG 3.44Å; L462-A492 HydrophobicContact CD1-CB 4.5Å; L462-L496 HydrophobicContact CB-CD2 3.63Å
463G92.3Very high91.8Very high1 Ų146.3 Ų46.31%0.0122%0.223CC..Hα-helixtrans-59.7-41.9173.300000112.6A459 E460 Y461 L466 C467A459-G463 PolarHBondContact O-N 2.84Å; E460-G463 PolarHBondContact O-N 3.18Å; Y461-G463 VanDerWaalsContact C-N 3.29Å; Y461-G463 PolarHBondContact O-N 3.31Å; G463-L466 PolarHBondContact O-N 3.18Å; G463-C467 WeakPolarHBondContact O-CB 3.08Å; G463-C467 PolarHBondContact O-N 3.47Å; G463-C467 PolarHBondContact O-SG 3.19Å
464Y92Very high91.9Very high2 Ų241.3 Ų41.31%0.00820%0.202CC..Hα-helixtrans-63.8-41.6174.9-60.8-36.2000113F428 E460 Y461 L462 C467 F468 K506 A507 I510F428-Y464 VanDerWaalsContact CE1-CB 3.5Å; F428-Y464 HydrophobicContact CE1-CD1 4.46Å; F428-Y464 AromaticContact CE1-CD2 3.33Å; F428-Y464 HydrophobicContact CE1-CD2 3.33Å; F428-Y464 HydrophobicContact CE1-CE2 4.08Å; F428-Y464 AromaticContact CE1-CG 3.53Å; F428-Y464 HydrophobicContact CE1-CG 3.53Å; F428-Y464 HydrophobicContact CE2-CD2 4.32Å; F428-Y464 HydrophobicContact CE2-CE2 4.27Å; F428-Y464 HydrophobicContact CZ-CD1 4.46Å; F428-Y464 AromaticContact CZ-CD2 3.11Å; F428-Y464 HydrophobicContact CZ-CD2 3.11Å; F428-Y464 AromaticContact CZ-CE2 3.38Å; F428-Y464 HydrophobicContact CZ-CE2 3.38Å; F428-Y464 AromaticContact CZ-CG 3.7Å; F428-Y464 HydrophobicContact CZ-CG 3.7Å; E460-Y464 HydrophobicContact CG-CD2 4.22Å; E460-Y464 HydrophobicContact CG-CE1 4.29Å; E460-Y464 HydrophobicContact CG-CE2 3.4Å; E460-Y464 VanDerWaalsContact CG-CE2 3.4Å; E460-Y464 VanDerWaalsContact CG-CZ 3.45Å; E460-Y464 WeakPolarHBondContact CG-OH 3.5Å; E460-Y464 VanDerWaalsContact O-CD2 3.25Å; E460-Y464 WeakPolarHBondContact O-CD2 3.23Å; E460-Y464 VanDerWaalsContact O-CG 3.26Å; E460-Y464 PolarHBondContact O-N 2.84Å; E460-Y464 PolarHBondContact OE1-OH 3.18Å; Y461-Y464 AromaticContact CD1-CD2 3.87Å; Y461-Y464 HydrophobicContact CD1-CD2 3.87Å; Y461-Y464 HydrophobicContact CD1-CE2 4.44Å; Y461-Y464 HydrophobicContact CE1-CD2 4.34Å; Y461-Y464 HydrophobicContact CG-CD2 4.43Å; Y461-Y464 WeakPolarHBondContact O-CB 3.44Å; Y461-Y464 PolarHBondContact O-N 3.44Å; L462-Y464 VanDerWaalsContact C-N 3.33Å; L462-Y464 PolarHBondContact O-N 3.38Å; Y464-C467 PolarHBondContact O-N 2.94Å; Y464-F468 HydrophobicContact CD1-CE2 4.35Å; Y464-F468 WeakPolarHBondContact O-CB 3.49Å; Y464-F468 VanDerWaalsContact O-CD2 3.27Å; Y464-F468 WeakPolarHBondContact O-CD2 3.35Å; Y464-F468 PolarHBondContact O-N 3.3Å; Y464-K506 HydrophobicContact CE1-CB 4.25Å; Y464-A507 HydrophobicContact CD1-CB 3.83Å; Y464-A507 HydrophobicContact CE1-CB 4.12Å; Y464-I510 HydrophobicContact CD1-CD1 4.15Å; Y464-I510 HydrophobicContact CE1-CD1 3.58Å; Y464-I510 HydrophobicContact CE1-CG1 4.49Å; Y464-I510 HydrophobicContact CE2-CD1 3.97Å; Y464-I510 VanDerWaalsContact CZ-CD1 3.45Å
465I93.3Very high92Very high1 Ų140.7 Ų40.71%0.00519%0.193CC..Hα-helixtrans-62.5-45.9176.1-62.2163.4000110.4L431 F432 Y461 L462 C467 F468 A469 L477 F478 L481L431-I465 HydrophobicContact CD2-CG1 4.48Å; F432-I465 HydrophobicContact CE1-CG1 4.31Å; F432-I465 HydrophobicContact CZ-CG1 4.19Å; Y461-I465 WeakPolarHBondContact O-CG1 3.16Å; Y461-I465 PolarHBondContact O-N 2.98Å; L462-I465 PolarHBondContact O-N 3.14Å; I465-C467 PolarHBondContact O-N 2.79Å; I465-F468 PolarHBondContact O-N 3.09Å; I465-A469 HydrophobicContact CG2-CB 4.23Å; I465-A469 WeakPolarHBondContact O-CB 3.19Å; I465-A469 PolarHBondContact O-N 3.44Å; I465-L477 HydrophobicContact CD1-CB 4.04Å; I465-F478 HydrophobicContact CB-CB 4.49Å; I465-F478 HydrophobicContact CB-CD2 4.4Å; I465-F478 HydrophobicContact CG2-CB 3.78Å; I465-F478 HydrophobicContact CG2-CD2 4.46Å; I465-L481 HydrophobicContact CD1-CD2 4.17Å
466L92.3Very high92.1Very high1 Ų139 Ų391%0.00519%0.191CC..Hα-helixtrans-58.3-37.2175.3-71.2179.9000112.8L462 G463 F478 L496 N521 I522 L525L462-L466 WeakPolarHBondContact O-CG 3.25Å; L462-L466 PolarHBondContact O-N 3.31Å; G463-L466 PolarHBondContact O-N 3.18Å; L466-F478 HydrophobicContact CD1-CE2 3.75Å; L466-F478 HydrophobicContact CD1-CZ 4.25Å; L466-F478 HydrophobicContact CD2-CD2 3.81Å; L466-F478 HydrophobicContact CD2-CE2 3.65Å; L466-F478 HydrophobicContact CD2-CG 4.44Å; L466-F478 HydrophobicContact CD2-CZ 4.15Å; L466-F478 HydrophobicContact CG-CD2 3.79Å; L466-F478 HydrophobicContact CG-CE2 3.44Å; L466-F478 VanDerWaalsContact CG-CE2 3.44Å; L466-F478 HydrophobicContact CG-CZ 4.25Å; L466-L496 HydrophobicContact CD1-CD2 3.78Å; L466-N521 HydrophobicContact CD2-CB 4.43Å; L466-N521 PolarHBondContact O-ND2 2.93Å; L466-I522 HydrophobicContact CD2-CG1 4.49Å; L466-L525 HydrophobicContact CD2-CD1 3.54Å
467C91.6Very high92.1Very high5 Ų534.5 Ų34.53%0.03417%0.167CC..Hα-helixtrans-78.2-33.8-176.3-70.70000113.9G463 Y464 I465 A507 F513G463-C467 WeakPolarHBondContact O-CB 3.08Å; G463-C467 PolarHBondContact O-N 3.47Å; G463-C467 PolarHBondContact O-SG 3.19Å; Y464-C467 PolarHBondContact O-N 2.94Å; I465-C467 PolarHBondContact O-N 2.79Å; C467-A507 HydrophobicContact CB-CB 3.88Å; C467-F513 HydrophobicContact CB-CD2 3.67Å; C467-F513 HydrophobicContact CB-CE2 3.91Å; C467-F513 VanDerWaalsContact SG-CD2 3.59Å; C467-F513 WeakPolarHBondContact SG-CE2 3.48Å
468F91.9Very high92.1Very high36 Ų3633.4 Ų33.416%0.15816%0.161CC..Hα-helixtrans-120.2-10-166-63.5-61000115.3F432 Y464 I465 E470 A507 I510F432-F468 HydrophobicContact CD2-CB 4.02Å; F432-F468 HydrophobicContact CE2-CB 3.51Å; F432-F468 HydrophobicContact CE2-CD2 4.35Å; F432-F468 HydrophobicContact CE2-CG 4.32Å; F432-F468 HydrophobicContact CZ-CB 3.85Å; Y464-F468 HydrophobicContact CD1-CE2 4.35Å; Y464-F468 WeakPolarHBondContact O-CB 3.49Å; Y464-F468 VanDerWaalsContact O-CD2 3.27Å; Y464-F468 WeakPolarHBondContact O-CD2 3.35Å; Y464-F468 PolarHBondContact O-N 3.3Å; I465-F468 PolarHBondContact O-N 3.09Å; F468-E470 PolarHBondContact O-N 3.34Å; F468-A507 HydrophobicContact CE2-CB 3.84Å; F468-A507 HydrophobicContact CZ-CB 4.1Å; F468-A507 WeakPolarHBondContact CZ-O 3.28Å; F468-I510 HydrophobicContact CE2-CB 4.49Å; F468-I510 HydrophobicContact CZ-CB 4.45Å
469A92.5Very high91.9Very high0 Ų034 Ų340%016%0.164CC..  trans-64123.6174.600000110.4F432 I465 Q474 L475 R517 N521F432-A469 HydrophobicContact CE1-CB 4.46Å; I465-A469 HydrophobicContact CG2-CB 4.23Å; I465-A469 WeakPolarHBondContact O-CB 3.19Å; I465-A469 PolarHBondContact O-N 3.44Å; A469-Q474 HydrophobicContact CB-CB 3.92Å; A469-L475 HydrophobicContact CB-CB 4.16Å; A469-L475 HydrophobicContact CB-CD1 4.39Å; A469-R517 WeakPolarHBondContact O-CD 3.19Å; A469-N521 PolarHBondContact O-ND2 3.26Å
470E90.7Very high91.8Very high137 Ų13737.5 Ų37.564%0.6418%0.18SC*.  trans-103.3-22.4179.9-63.9-174.2165.300113.6F468 R517F468-E470 PolarHBondContact O-N 3.34Å; E470-R517 VanDerWaalsContact CA-NH1 3.35Å; E470-R517 PolarHBondContact O-NH1 3.19Å
471T91Very high91.7Very high66 Ų6636.5 Ų36.541%0.40518%0.176SC..SBendtrans-124.8155.8-176.758.20000110.6E473 Q474 L475T471-E473 VanDerWaalsContact C-N 3.25Å; T471-E473 PolarHBondContact O-N 2.73Å; T471-Q474 WeakPolarHBondContact O-CB 3.5Å; T471-Q474 PolarHBondContact O-N 2.54Å; T471-Q474 VanDerWaalsContact OG1-CD 3.26Å; T471-Q474 VanDerWaalsContact OG1-CG 3.23Å; T471-Q474 WeakPolarHBondContact OG1-CG 3.13Å; T471-Q474 PolarHBondContact OG1-N 3.36Å; T471-Q474 PolarHBondContact OG1-OE1 3.22Å; T471-L475 PolarHBondContact O-N 3.26Å
472E88.9Confident91.5Very high172 Ų17236.3 Ų36.380%0.80418%0.177SC*.Hα-helixtrans-57.8-38.5177.7-68.4-179.3174.500112Q474 L475 H476E472-Q474 VanDerWaalsContact C-N 3.31Å; E472-Q474 PolarHBondContact O-N 3.19Å; E472-L475 CarbonylContact O-C 3.49Å; E472-L475 PolarHBondContact O-N 3.22Å; E472-H476 PolarHBondContact O-N 3.33Å
473E88.2Confident91.2Very high125 Ų12538.8 Ų38.858%0.58420%0.197SC*.Hα-helixtrans-64.5-33.9176.6-56178.1175.800113.3R439 T471R439-E473 IonicContact CZ-OE2 3.06Å; R439-E473 IonicContact NH1-OE2 3.14Å; R439-E473 PolarHBondContact NH1-OE2 3.49Å; R439-E473 IonicContact NH2-OE2 2.7Å; R439-E473 PolarHBondContact NH2-OE2 3.24Å; T471-E473 VanDerWaalsContact C-N 3.25Å; T471-E473 PolarHBondContact O-N 2.73Å
474Q92.7Very high90.9Very high9 Ų941.7 Ų41.74%0.04222%0.215CC..Hα-helixtrans-74.6-35.2175-72.8168.1-8.100111F432 A469 T471 E472 H476 L477F432-Q474 HydrophobicContact CD1-CB 4.11Å; F432-Q474 HydrophobicContact CD1-CG 4.1Å; F432-Q474 PolarHBondContact O-NE2 3.47Å; A469-Q474 HydrophobicContact CB-CB 3.92Å; T471-Q474 WeakPolarHBondContact O-CB 3.5Å; T471-Q474 PolarHBondContact O-N 2.54Å; T471-Q474 VanDerWaalsContact OG1-CD 3.26Å; T471-Q474 VanDerWaalsContact OG1-CG 3.23Å; T471-Q474 WeakPolarHBondContact OG1-CG 3.13Å; T471-Q474 PolarHBondContact OG1-N 3.36Å; T471-Q474 PolarHBondContact OG1-OE1 3.22Å; E472-Q474 VanDerWaalsContact C-N 3.31Å; E472-Q474 PolarHBondContact O-N 3.19Å; Q474-H476 VanDerWaalsContact C-N 3.3Å; Q474-L477 VanDerWaalsContact O-CB 3.27Å; Q474-L477 WeakPolarHBondContact O-CB 3.26Å; Q474-L477 WeakPolarHBondContact O-CG 3.38Å; Q474-L477 PolarHBondContact O-N 2.92Å
475L92.6Very high90.6Very high8 Ų841.9 Ų41.94%0.04222%0.216CC..Hα-helixtrans-68.5-31.9175.1-174.359.8000111.4A469 T471 E472 L477 F478 N521 L525A469-L475 HydrophobicContact CB-CB 4.16Å; A469-L475 HydrophobicContact CB-CD1 4.39Å; T471-L475 PolarHBondContact O-N 3.26Å; E472-L475 CarbonylContact O-C 3.49Å; E472-L475 PolarHBondContact O-N 3.22Å; L475-L477 PolarHBondContact O-N 2.84Å; L475-L477 VanDerWaalsContact O-N 3.14Å; L475-F478 HydrophobicContact CD1-CB 4.38Å; L475-F478 WeakPolarHBondContact O-CA 3.5Å; L475-F478 WeakPolarHBondContact O-CB 3.09Å; L475-F478 PolarHBondContact O-N 3.41Å; L475-N521 HydrophobicContact CD1-CB 3.9Å; L475-N521 HydrophobicContact CD2-CB 4.37Å; L475-L525 HydrophobicContact CD1-CD1 4.2Å; L475-L525 HydrophobicContact CD1-CD2 4.21Å; L475-L525 HydrophobicContact CD1-CG 4.12Å; L475-L525 HydrophobicContact CD2-CD2 4.33Å; L475-L525 HydrophobicContact CD2-CG 4.21Å; L475-L525 HydrophobicContact CG-CD2 4.05Å; L475-L525 HydrophobicContact CG-CG 4.28Å
476H91.4Very high90Very high95 Ų9544.2 Ų44.244%0.4424%0.235SC..Hα-helixtrans-58.2-25.9174.2-17066.3000113.1E472 Q474 F478 T479 E480E472-H476 PolarHBondContact O-N 3.33Å; Q474-H476 VanDerWaalsContact C-N 3.3Å; H476-F478 PolarHBondContact O-N 2.65Å; H476-T479 PolarHBondContact ND1-OG1 3.49Å; H476-T479 PolarHBondContact O-N 3.03Å; H476-T479 PolarHBondContact O-OG1 2.87Å; H476-E480 WeakPolarHBondContact O-CB 3.34Å; H476-E480 PolarHBondContact O-N 3.04Å
477L93.1Very high89.2Confident7 Ų748 Ų484%0.03728%0.275CS..Hα-helixtrans-60-26.9171.9-56.3174.7000112L431 R439 F443 I465 Q474 L475 L481L431-L477 HydrophobicContact CD1-CD1 3.91Å; L431-L477 HydrophobicContact CG-CD1 4Å; R439-L477 HydrophobicContact CG-CD1 4.03Å; R439-L477 HydrophobicContact CG-CD2 4.05Å; F443-L477 HydrophobicContact CB-CD2 4.41Å; F443-L477 HydrophobicContact CD2-CB 4.18Å; F443-L477 HydrophobicContact CD2-CD2 3.69Å; F443-L477 HydrophobicContact CD2-CG 4.44Å; F443-L477 HydrophobicContact CE2-CB 4.19Å; F443-L477 HydrophobicContact CE2-CD2 4.22Å; F443-L477 HydrophobicContact CG-CD2 4.18Å; I465-L477 HydrophobicContact CD1-CB 4.04Å; Q474-L477 VanDerWaalsContact O-CB 3.27Å; Q474-L477 WeakPolarHBondContact O-CB 3.26Å; Q474-L477 WeakPolarHBondContact O-CG 3.38Å; Q474-L477 PolarHBondContact O-N 2.92Å; L475-L477 PolarHBondContact O-N 2.84Å; L475-L477 VanDerWaalsContact O-N 3.14Å; L477-L481 WeakPolarHBondContact O-CB 3.39Å; L477-L481 PolarHBondContact O-N 2.84Å
478F93.3Very high88.5Confident1 Ų153.6 Ų53.60%0.00430%0.304CS..Hα-helixtrans-67.1-50175.7-174.3-87.1000111.1L462 I465 L466 L475 H476 C482 L493 L496 L525 V541 M543L462-F478 HydrophobicContact CB-CD2 4.12Å; L462-F478 HydrophobicContact CB-CE2 3.7Å; L462-F478 HydrophobicContact CD2-CD1 4.48Å; L462-F478 HydrophobicContact CD2-CD2 3.59Å; L462-F478 HydrophobicContact CD2-CE2 3.73Å; L462-F478 HydrophobicContact CD2-CG 4Å; L462-F478 HydrophobicContact CD2-CZ 4.24Å; L462-F478 HydrophobicContact CG-CD2 4.46Å; L462-F478 HydrophobicContact CG-CE2 4.22Å; I465-F478 HydrophobicContact CB-CB 4.49Å; I465-F478 HydrophobicContact CB-CD2 4.4Å; I465-F478 HydrophobicContact CG2-CB 3.78Å; I465-F478 HydrophobicContact CG2-CD2 4.46Å; L466-F478 HydrophobicContact CD1-CE2 3.75Å; L466-F478 HydrophobicContact CD1-CZ 4.25Å; L466-F478 HydrophobicContact CD2-CD2 3.81Å; L466-F478 HydrophobicContact CD2-CE2 3.65Å; L466-F478 HydrophobicContact CD2-CG 4.44Å; L466-F478 HydrophobicContact CD2-CZ 4.15Å; L466-F478 HydrophobicContact CG-CD2 3.79Å; L466-F478 HydrophobicContact CG-CE2 3.44Å; L466-F478 VanDerWaalsContact CG-CE2 3.44Å; L466-F478 HydrophobicContact CG-CZ 4.25Å; L475-F478 HydrophobicContact CD1-CB 4.38Å; L475-F478 WeakPolarHBondContact O-CA 3.5Å; L475-F478 WeakPolarHBondContact O-CB 3.09Å; L475-F478 PolarHBondContact O-N 3.41Å; H476-F478 PolarHBondContact O-N 2.65Å; F478-C482 WeakPolarHBondContact O-CB 3.44Å; F478-C482 PolarHBondContact O-N 3.17Å; F478-C482 VanDerWaalsContact O-N 3.09Å; F478-C482 PolarHBondContact O-SG 2.84Å; F478-L493 HydrophobicContact CE1-CD1 4.26Å; F478-L493 HydrophobicContact CZ-CD1 3.68Å; F478-L496 HydrophobicContact CE2-CD2 4.04Å; F478-L496 HydrophobicContact CZ-CD2 4.37Å; F478-L525 HydrophobicContact CD1-CD1 3.61Å; F478-L525 HydrophobicContact CD1-CD2 4.01Å; F478-L525 HydrophobicContact CD1-CG 4.49Å; F478-L525 HydrophobicContact CE1-CD1 3.68Å; F478-L525 HydrophobicContact CG-CD1 4.08Å; F478-L525 HydrophobicContact CZ-CD1 4.19Å; F478-V541 HydrophobicContact CE1-CG1 4.31Å; F478-M543 HydrophobicContact CZ-SD 4.4Å
479T89.7Confident87.9Confident11 Ų1152.9 Ų52.97%0.06730%0.301CS..Hα-helixtrans-66.6-42.2178.745.50000110.8H476 C482 A483 L525 F540H476-T479 PolarHBondContact ND1-OG1 3.49Å; H476-T479 PolarHBondContact O-N 3.03Å; H476-T479 PolarHBondContact O-OG1 2.87Å; T479-C482 PolarHBondContact O-N 3.07Å; T479-A483 WeakPolarHBondContact O-CB 3.33Å; T479-A483 PolarHBondContact O-N 3Å; T479-L525 HydrophobicContact CG2-CD2 3.82Å; T479-F540 HydrophobicContact CG2-CE2 4.21Å; T479-F540 HydrophobicContact CG2-CZ 4.27Å
480E90Very high87Confident74 Ų7457.1 Ų57.135%0.34633%0.33SS..Hα-helixtrans-62.9-46.6177.2-165.3-178.617400111.1F443 H476 C482 A483 V484F443-E480 HydrophobicContact CE1-CB 4.47Å; F443-E480 HydrophobicContact CE1-CG 3.78Å; F443-E480 WeakPolarHBondContact CE1-OE1 3.36Å; F443-E480 HydrophobicContact CE2-CB 4.25Å; F443-E480 HydrophobicContact CE2-CG 4.42Å; F443-E480 HydrophobicContact CZ-CB 3.76Å; F443-E480 HydrophobicContact CZ-CG 3.54Å; H476-E480 WeakPolarHBondContact O-CB 3.34Å; H476-E480 PolarHBondContact O-N 3.04Å; E480-C482 PolarHBondContact O-N 2.98Å; E480-A483 PolarHBondContact O-N 3.39Å; E480-A483 VanDerWaalsContact O-N 3.17Å; E480-V484 WeakPolarHBondContact O-CG2 3.45Å; E480-V484 PolarHBondContact O-N 3.43Å
481L92.2Very high86.7Confident0 Ų054.3 Ų54.30%032%0.32CS..Hα-helixtrans-62.4-42.8179.6-176.159000111.6F443 V446 T458 L462 I465 L477 V484 T485F443-L481 HydrophobicContact CE2-CB 3.89Å; F443-L481 HydrophobicContact CE2-CD1 4.48Å; F443-L481 HydrophobicContact CZ-CB 4.14Å; V446-L481 HydrophobicContact CG1-CD1 4.44Å; V446-L481 HydrophobicContact CG1-CD2 4.23Å; T458-L481 HydrophobicContact CG2-CD2 4.47Å; T458-L481 HydrophobicContact CG2-CG 4.38Å; L462-L481 HydrophobicContact CD2-CB 4.08Å; L462-L481 HydrophobicContact CD2-CD2 3.86Å; L462-L481 HydrophobicContact CD2-CG 4.15Å; L462-L481 HydrophobicContact CG-CD2 4.07Å; I465-L481 HydrophobicContact CD1-CD2 4.17Å; L477-L481 WeakPolarHBondContact O-CB 3.39Å; L477-L481 PolarHBondContact O-N 2.84Å; L481-V484 HydrophobicContact CD1-CG2 4.36Å; L481-V484 WeakPolarHBondContact O-CG2 3.47Å; L481-T485 HydrophobicContact CD1-CG2 4Å; L481-T485 WeakPolarHBondContact O-CB 3.17Å; L481-T485 WeakPolarHBondContact O-CG2 3.27Å; L481-T485 PolarHBondContact O-N 3.39Å; L481-T485 VanDerWaalsContact O-N 3.1Å; L481-T485 PolarHBondContact O-OG1 3.42Å
482C89.1Confident86.5Confident12 Ų1251.2 Ų51.28%0.08130%0.301CS..Hα-helixtrans-62.2-44.5174.1-72.60000111.5L462 F478 T479 E480 T485 A486 V541L462-C482 WeakPolarHBondContact CD2-SG 3.44Å; F478-C482 WeakPolarHBondContact O-CB 3.44Å; F478-C482 PolarHBondContact O-N 3.17Å; F478-C482 VanDerWaalsContact O-N 3.09Å; F478-C482 PolarHBondContact O-SG 2.84Å; T479-C482 PolarHBondContact O-N 3.07Å; E480-C482 PolarHBondContact O-N 2.98Å; C482-T485 PolarHBondContact O-N 2.97Å; C482-T485 PolarHBondContact O-OG1 3.37Å; C482-A486 WeakPolarHBondContact O-CA 3.41Å; C482-A486 WeakPolarHBondContact O-CB 3.48Å; C482-A486 PolarHBondContact O-N 2.98Å; C482-V541 HydrophobicContact CB-CB 4.22Å; C482-V541 HydrophobicContact CB-CG1 3.95Å; C482-V541 HydrophobicContact CB-CG2 3.19Å
483A86.9Confident86.5Confident52 Ų5243.6 Ų43.643%0.4327%0.266SS..Hα-helixtrans-62-47.818000000112.1T479 E480 T485 A486T479-A483 WeakPolarHBondContact O-CB 3.33Å; T479-A483 PolarHBondContact O-N 3Å; E480-A483 PolarHBondContact O-N 3.39Å; E480-A483 VanDerWaalsContact O-N 3.17Å; A483-T485 VanDerWaalsContact C-N 3.27Å; A483-T485 PolarHBondContact O-N 3.27Å; A483-A486 PolarHBondContact O-N 2.94Å
484V86.5Confident86.6Confident62 Ų6241 Ų4138%0.37625%0.253SS..Hα-helixtrans-71.3-21.4-179.8-57.90000113.1F443 Y447 E480 L481F443-V484 HydrophobicContact CZ-CG2 4.39Å; Y447-V484 HydrophobicContact CD2-CB 4.08Å; Y447-V484 HydrophobicContact CD2-CG2 3.44Å; Y447-V484 VanDerWaalsContact CD2-CG2 3.44Å; Y447-V484 HydrophobicContact CE2-CB 3.92Å; Y447-V484 HydrophobicContact CE2-CG2 3.78Å; Y447-V484 HydrophobicContact CG-CG2 4.31Å; E480-V484 WeakPolarHBondContact O-CG2 3.45Å; E480-V484 PolarHBondContact O-N 3.43Å; L481-V484 HydrophobicContact CD1-CG2 4.36Å; L481-V484 WeakPolarHBondContact O-CG2 3.47Å
485T85.2Confident86.5Confident6 Ų641.4 Ų41.44%0.03726%0.257CS..Hα-helixtrans-98.9-10.9177.7600000114.1Y447 C450 T458 L481 C482 A483 G487 L488 Q489Y447-T485 HydrophobicContact CD2-CG2 4.32Å; C450-T485 HydrophobicContact CB-CG2 4.49Å; T458-T485 HydrophobicContact CG2-CG2 4.13Å; L481-T485 HydrophobicContact CD1-CG2 4Å; L481-T485 WeakPolarHBondContact O-CB 3.17Å; L481-T485 WeakPolarHBondContact O-CG2 3.27Å; L481-T485 PolarHBondContact O-N 3.39Å; L481-T485 VanDerWaalsContact O-N 3.1Å; L481-T485 PolarHBondContact O-OG1 3.42Å; C482-T485 PolarHBondContact O-N 2.97Å; C482-T485 PolarHBondContact O-OG1 3.37Å; A483-T485 VanDerWaalsContact C-N 3.27Å; A483-T485 PolarHBondContact O-N 3.27Å; T485-G487 VanDerWaalsContact C-N 3.28Å; T485-G487 PolarHBondContact O-N 3.23Å; T485-G487 VanDerWaalsContact O-N 3.16Å; T485-L488 PolarHBondContact O-N 3.03Å; T485-Q489 PolarHBondContact O-N 3.01Å
486A79.4Confident86.5Confident49 Ų4941 Ų4141%0.40526%0.255SS..Hα-helixtrans-53.2-41.5-173.700000113.2C482 A483 L488 S490C482-A486 WeakPolarHBondContact O-CA 3.41Å; C482-A486 WeakPolarHBondContact O-CB 3.48Å; C482-A486 PolarHBondContact O-N 2.98Å; A483-A486 PolarHBondContact O-N 2.94Å; A486-L488 VanDerWaalsContact C-N 3.3Å; A486-L488 PolarHBondContact O-N 2.99Å; A486-S490 PolarHBondContact O-N 3.4Å
487G75.4Confident86.4Confident81 Ų8136.6 Ų36.684%0.83524%0.235SC*.Hα-helixtrans-67.3-24.1-178.400000115T485T485-G487 VanDerWaalsContact C-N 3.28Å; T485-G487 PolarHBondContact O-N 3.23Å; T485-G487 VanDerWaalsContact O-N 3.16Å
488L76.9Confident86.2Confident123 Ų12337.6 Ų37.664%0.64424%0.242SC*.Hα-helixtrans-112-25.5-176.4-69.6165.5000112.8L451 T485 A486L451-L488 HydrophobicContact CD1-CD1 3.92Å; L451-L488 HydrophobicContact CD2-CD1 4.13Å; L451-L488 HydrophobicContact CG-CD1 3.84Å; T485-L488 PolarHBondContact O-N 3.03Å; A486-L488 VanDerWaalsContact C-N 3.3Å; A486-L488 PolarHBondContact O-N 2.99Å
489Q81Confident86Confident21 Ų2141.8 Ų41.810%0.09826%0.262CS..Hα-helixtrans-144.347.5-165.7-54.7-177.88.300112C450 G454 R455 T458 T485 D491 A492C450-Q489 PolarHBondContact O-NE2 3.31Å; G454-Q489 VanDerWaalsContact CA-NE2 3.34Å; G454-Q489 PolarHBondContact O-OE1 2.85Å; R455-Q489 HydrophobicContact CB-CB 4.3Å; T458-Q489 VanDerWaalsContact CB-OE1 3.27Å; T458-Q489 PolarHBondContact OG1-OE1 3.16Å; T485-Q489 PolarHBondContact O-N 3.01Å; Q489-D491 PolarHBondContact O-N 3.41Å; Q489-A492 HydrophobicContact CB-CB 4.38Å; Q489-A492 WeakPolarHBondContact O-CB 3.4Å; Q489-A492 PolarHBondContact O-N 2.81Å
490S73.1Confident86Confident89 Ų8941.8 Ų41.862%0.62226%0.261SS*.THydrogen-bonded Turntrans-48.7-32.4178.356.70000114.1A486A486-S490 PolarHBondContact O-N 3.4Å
491D83.4Confident85.8Confident77 Ų7740.5 Ų40.541%0.41226%0.261SS..THydrogen-bonded Turntrans-87.1-2.5-174.4-53.8-15.8000113.8R455 Q489 L493 H494 C495R455-D491 IonicContact NH1-OD2 3.5Å; R455-D491 PolarHBondContact NH1-OD2 2.97Å; Q489-D491 PolarHBondContact O-N 3.41Å; D491-L493 VanDerWaalsContact C-N 3.3Å; D491-L493 PolarHBondContact O-N 2.89Å; D491-H494 WeakPolarHBondContact O-CB 3.49Å; D491-H494 PolarHBondContact O-N 2.97Å; D491-H494 VanDerWaalsContact O-N 3.12Å; D491-C495 PolarHBondContact O-N 3.25Å; D491-C495 PolarHBondContact O-SG 3.45Å
492A88.6Confident85.7Confident2 Ų245.3 Ų45.32%0.01728%0.282CS..Hα-helixtrans-59.9-41.7-176.200000112R455 T458 A459 L462 Q489 C495 L496R455-A492 HydrophobicContact CB-CB 4.25Å; T458-A492 HydrophobicContact CG2-CB 3.75Å; A459-A492 WeakPolarHBondContact CB-O 3.39Å; L462-A492 HydrophobicContact CD1-CB 4.5Å; Q489-A492 HydrophobicContact CB-CB 4.38Å; Q489-A492 WeakPolarHBondContact O-CB 3.4Å; Q489-A492 PolarHBondContact O-N 2.81Å; A492-C495 WeakPolarHBondContact O-CB 3.45Å; A492-C495 PolarHBondContact O-N 3.29Å; A492-L496 PolarHBondContact O-N 2.65Å
493L88.9Confident85.7Confident12 Ų1245 Ų456%0.06328%0.279CS..Hα-helixtrans-64.7-40.5175179.858.1000112F478 D491 L496 I497 V541 M543 N546F478-L493 HydrophobicContact CE1-CD1 4.26Å; F478-L493 HydrophobicContact CZ-CD1 3.68Å; D491-L493 VanDerWaalsContact C-N 3.3Å; D491-L493 PolarHBondContact O-N 2.89Å; L493-L496 HydrophobicContact CD1-CD2 4.35Å; L493-L496 WeakPolarHBondContact O-CB 3.39Å; L493-L496 PolarHBondContact O-N 3.4Å; L493-I497 HydrophobicContact CD1-CD1 3.73Å; L493-I497 HydrophobicContact CD1-CG1 4.28Å; L493-I497 HydrophobicContact CG-CD1 3.9Å; L493-I497 PolarHBondContact O-N 3.5Å; L493-V541 HydrophobicContact CD2-CG1 3.43Å; L493-V541 VanDerWaalsContact CD2-CG1 3.43Å; L493-M543 HydrophobicContact CD1-SD 3.96Å; L493-M543 HydrophobicContact CD2-SD 4.49Å; L493-N546 HydrophobicContact CD2-CB 4.34Å; L493-N546 WeakPolarHBondContact CD2-ND2 3.48Å; L493-N546 HydrophobicContact CG-CB 4.23Å
494H88.9Confident85.6Confident69 Ų6942.7 Ų42.732%0.31926%0.26SS..Hα-helixtrans-61.7-44.8174.7-178.1-80.7000111.2D491 L496 I497 S498 N550D491-H494 WeakPolarHBondContact O-CB 3.49Å; D491-H494 PolarHBondContact O-N 2.97Å; D491-H494 VanDerWaalsContact O-N 3.12Å; H494-L496 VanDerWaalsContact C-N 3.35Å; H494-L496 PolarHBondContact O-N 2.95Å; H494-I497 PolarHBondContact O-N 2.94Å; H494-S498 VanDerWaalsContact O-CB 3.25Å; H494-S498 WeakPolarHBondContact O-CB 3.48Å; H494-S498 PolarHBondContact O-N 3.23Å; H494-S498 PolarHBondContact O-OG 2.88Å; H494-S498 VanDerWaalsContact O-OG 3.05Å; H494-N550 PolarHBondContact NE2-ND2 3.11Å
495C90.3Very high85.6Confident19 Ų1941.3 Ų41.313%0.12826%0.257CS..Hα-helixtrans-56.8-48.3174.7-71.40000111.2A459 D491 A492 I497 S498 E499 Y503A459-C495 HydrophobicContact CB-CB 4.04Å; D491-C495 PolarHBondContact O-N 3.25Å; D491-C495 PolarHBondContact O-SG 3.45Å; A492-C495 WeakPolarHBondContact O-CB 3.45Å; A492-C495 PolarHBondContact O-N 3.29Å; C495-I497 PolarHBondContact O-N 3.44Å; C495-S498 WeakPolarHBondContact CA-OG 3.42Å; C495-S498 PolarHBondContact O-N 3.27Å; C495-S498 PolarHBondContact O-OG 2.99Å; C495-E499 PolarHBondContact O-N 2.74Å; C495-Y503 WeakPolarHBondContact O-CE2 3.45Å
496L92.7Very high85.6Confident0 Ų043.3 Ų43.30%027%0.266CS..Hα-helixtrans-55.1-51176.6170.960.7000111.8A459 L462 L466 F478 A492 L493 H494 E499 L500 Y503A459-L496 HydrophobicContact CB-CB 4.01Å; L462-L496 HydrophobicContact CB-CD2 3.63Å; L466-L496 HydrophobicContact CD1-CD2 3.78Å; F478-L496 HydrophobicContact CE2-CD2 4.04Å; F478-L496 HydrophobicContact CZ-CD2 4.37Å; A492-L496 PolarHBondContact O-N 2.65Å; L493-L496 HydrophobicContact CD1-CD2 4.35Å; L493-L496 WeakPolarHBondContact O-CB 3.39Å; L493-L496 PolarHBondContact O-N 3.4Å; H494-L496 VanDerWaalsContact C-N 3.35Å; H494-L496 PolarHBondContact O-N 2.95Å; L496-E499 CarbonylContact O-C 3.23Å; L496-E499 VanDerWaalsContact O-C 3.3Å; L496-E499 PolarHBondContact O-N 3.23Å; L496-L500 HydrophobicContact CD1-CD1 4.07Å; L496-L500 HydrophobicContact CG-CD1 4.41Å; L496-L500 WeakPolarHBondContact O-CA 3.48Å; L496-L500 PolarHBondContact O-N 3.35Å; L496-Y503 HydrophobicContact CD1-CD2 3.93Å; L496-Y503 HydrophobicContact CD1-CG 3.91Å
497I90.6Very high85.9Confident1 Ų141 Ų411%0.00525%0.246CC..Hα-helixtrans-71.2-40.1-174.5-70.7164.7000111.5L493 H494 C495 E499 L500 M543 N546 L547 N550 V554L493-I497 HydrophobicContact CD1-CD1 3.73Å; L493-I497 HydrophobicContact CD1-CG1 4.28Å; L493-I497 HydrophobicContact CG-CD1 3.9Å; L493-I497 PolarHBondContact O-N 3.5Å; H494-I497 PolarHBondContact O-N 2.94Å; C495-I497 PolarHBondContact O-N 3.44Å; I497-E499 PolarHBondContact O-N 2.9Å; I497-L500 PolarHBondContact O-N 3.44Å; I497-M543 HydrophobicContact CD1-CE 4.02Å; I497-M543 HydrophobicContact CD1-SD 3.84Å; I497-M543 HydrophobicContact CG1-CE 4.36Å; I497-N546 HydrophobicContact CD1-CB 3.31Å; I497-L547 HydrophobicContact CD1-CD2 4.13Å; I497-L547 HydrophobicContact CD1-CG 4.25Å; I497-L547 HydrophobicContact CG1-CD2 4.25Å; I497-L547 HydrophobicContact CG2-CD2 4.06Å; I497-N550 HydrophobicContact CG2-CB 3.7Å; I497-V554 HydrophobicContact CG2-CG2 3.93Å
498S88.1Confident86.3Confident28 Ų2840.6 Ų40.620%0.19623%0.231CC..Hα-helixtrans-60.4-30.8178.467.20000113H494 C495 R553H494-S498 VanDerWaalsContact O-CB 3.25Å; H494-S498 WeakPolarHBondContact O-CB 3.48Å; H494-S498 PolarHBondContact O-N 3.23Å; H494-S498 PolarHBondContact O-OG 2.88Å; H494-S498 VanDerWaalsContact O-OG 3.05Å; C495-S498 WeakPolarHBondContact CA-OG 3.42Å; C495-S498 PolarHBondContact O-N 3.27Å; C495-S498 PolarHBondContact O-OG 2.99Å; S498-R553 VanDerWaalsContact O-CD 3.26Å; S498-R553 WeakPolarHBondContact O-CD 3.5Å; S498-R553 PolarHBondContact O-NE 3.03Å
499E89.4Confident86.6Confident90 Ų9041.1 Ų41.142%0.42123%0.23SC..THydrogen-bonded Turntrans-126.142.2178.1-60.5-169.1166.100112.1C495 L496 I497 S501 F502 Y503C495-E499 PolarHBondContact O-N 2.74Å; L496-E499 CarbonylContact O-C 3.23Å; L496-E499 VanDerWaalsContact O-C 3.3Å; L496-E499 PolarHBondContact O-N 3.23Å; I497-E499 PolarHBondContact O-N 2.9Å; E499-S501 PolarHBondContact O-N 3.29Å; E499-S501 VanDerWaalsContact O-N 3.14Å; E499-F502 HydrophobicContact CB-CB 4.06Å; E499-F502 WeakPolarHBondContact O-CB 3.48Å; E499-F502 PolarHBondContact O-N 3.34Å; E499-Y503 HydrophobicContact CB-CD2 4.24Å; E499-Y503 HydrophobicContact CB-CE2 4.02Å; E499-Y503 WeakPolarHBondContact O-CD2 3.43Å; E499-Y503 PolarHBondContact O-N 2.89Å
500L88.9Confident86.4Confident10 Ų1041 Ų415%0.05223%0.23CC..Hα-helixtrans-52.9-42.5-173.8-174.564.2000112.5L496 I497 F502 Y503 V504 W515 Y557L496-L500 HydrophobicContact CD1-CD1 4.07Å; L496-L500 HydrophobicContact CG-CD1 4.41Å; L496-L500 WeakPolarHBondContact O-CA 3.48Å; L496-L500 PolarHBondContact O-N 3.35Å; I497-L500 PolarHBondContact O-N 3.44Å; L500-F502 VanDerWaalsContact C-N 3.31Å; L500-F502 PolarHBondContact O-N 3.02Å; L500-Y503 PolarHBondContact O-N 3.36Å; L500-V504 HydrophobicContact CD1-CG2 3.98Å; L500-V504 HydrophobicContact CG-CG2 4.08Å; L500-V504 WeakPolarHBondContact O-CB 3.41Å; L500-V504 WeakPolarHBondContact O-CG2 3.23Å; L500-V504 PolarHBondContact O-N 2.86Å; L500-W515 HydrophobicContact CD2-CH2 4.49Å; L500-W515 HydrophobicContact CD2-CZ3 4.17Å; L500-W515 HydrophobicContact CG-CH2 4.36Å; L500-W515 HydrophobicContact CG-CZ3 4.39Å; L500-Y557 HydrophobicContact CB-CD2 4.13Å; L500-Y557 HydrophobicContact CB-CE2 4.07Å; L500-Y557 HydrophobicContact CD2-CD2 4.23Å
501S86.6Confident86.6Confident48 Ų4838.4 Ų38.434%0.33622%0.217SC..Hα-helixtrans-62.8-32.5177.661.10000114E499 G505 Y557E499-S501 PolarHBondContact O-N 3.29Å; E499-S501 VanDerWaalsContact O-N 3.14Å; S501-G505 WeakPolarHBondContact O-CA 2.92Å; S501-G505 PolarHBondContact O-N 3.44Å; S501-Y557 PolarHBondContact OG-OH 3.08Å
502F89.9Confident86.4Confident100 Ų10041.5 Ų41.544%0.43924%0.239SC..Hα-helixtrans-70.6-48.1177.6171.8-105000111.1E499 L500 G505 K506E499-F502 HydrophobicContact CB-CB 4.06Å; E499-F502 WeakPolarHBondContact O-CB 3.48Å; E499-F502 PolarHBondContact O-N 3.34Å; L500-F502 VanDerWaalsContact C-N 3.31Å; L500-F502 PolarHBondContact O-N 3.02Å; F502-G505 PolarHBondContact O-N 3.4Å; F502-K506 HydrophobicContact CE1-CD 4.15Å; F502-K506 HydrophobicContact CZ-CD 4.26Å; F502-K506 PolarHBondContact O-N 3.37Å
503Y88.7Confident86Confident6 Ų643.5 Ų43.52%0.02425%0.248CC..Hα-helixtrans-69.7-38.2179.3-67.8-72.6000112.4A459 E460 C495 L496 E499 L500 G505 K506 A507A459-Y503 HydrophobicContact CB-CD1 4.4Å; A459-Y503 HydrophobicContact CB-CE1 3.75Å; A459-Y503 HydrophobicContact CB-CE2 4.07Å; E460-Y503 HydrophobicContact CB-CD1 4.04Å; E460-Y503 HydrophobicContact CB-CE1 4.12Å; C495-Y503 WeakPolarHBondContact O-CE2 3.45Å; L496-Y503 HydrophobicContact CD1-CD2 3.93Å; L496-Y503 HydrophobicContact CD1-CG 3.91Å; E499-Y503 HydrophobicContact CB-CD2 4.24Å; E499-Y503 HydrophobicContact CB-CE2 4.02Å; E499-Y503 WeakPolarHBondContact O-CD2 3.43Å; E499-Y503 PolarHBondContact O-N 2.89Å; L500-Y503 PolarHBondContact O-N 3.36Å; Y503-G505 VanDerWaalsContact C-N 3.31Å; Y503-K506 WeakPolarHBondContact O-CB 3.47Å; Y503-K506 PolarHBondContact O-N 3.33Å; Y503-A507 PolarHBondContact O-N 3.25Å; Y503-A507 VanDerWaalsContact O-N 3.09Å
504V84.9Confident85.8Confident4 Ų445.7 Ų45.72%0.02426%0.264CS..Hα-helixtrans-63.7-39.3170.3170.20000110.9L500 K506 A507 S508 F513 W515L500-V504 HydrophobicContact CD1-CG2 3.98Å; L500-V504 HydrophobicContact CG-CG2 4.08Å; L500-V504 WeakPolarHBondContact O-CB 3.41Å; L500-V504 WeakPolarHBondContact O-CG2 3.23Å; L500-V504 PolarHBondContact O-N 2.86Å; V504-K506 VanDerWaalsContact C-N 3.35Å; V504-K506 PolarHBondContact O-N 3.12Å; V504-A507 VanDerWaalsContact O-CB 3.27Å; V504-A507 WeakPolarHBondContact O-CB 3.49Å; V504-A507 PolarHBondContact O-N 3.19Å; V504-S508 PolarHBondContact O-N 3.3Å; V504-F513 HydrophobicContact CB-CZ 4.41Å; V504-F513 HydrophobicContact CG1-CD1 3.9Å; V504-F513 HydrophobicContact CG1-CD2 4.31Å; V504-F513 HydrophobicContact CG1-CE1 3.23Å; V504-F513 HydrophobicContact CG1-CE2 3.7Å; V504-F513 HydrophobicContact CG1-CG 4.39Å; V504-F513 HydrophobicContact CG1-CZ 3.11Å; V504-W515 HydrophobicContact CB-CH2 4Å; V504-W515 HydrophobicContact CB-CZ2 4.14Å; V504-W515 HydrophobicContact CG1-CD2 4.44Å; V504-W515 HydrophobicContact CG1-CH2 3.87Å; V504-W515 HydrophobicContact CG1-CZ2 3.64Å; V504-W515 HydrophobicContact CG1-CZ3 4.35Å; V504-W515 HydrophobicContact CG2-CH2 3.87Å; V504-W515 HydrophobicContact CG2-CZ2 4.48Å; V504-W515 HydrophobicContact CG2-CZ3 4.09Å
505G86.2Confident85.7Confident32 Ų3245.9 Ų45.933%0.3326%0.262SS..Hα-helixtrans-58.5-44.3172.700000112.3S501 F502 Y503 A507 S508S501-G505 WeakPolarHBondContact O-CA 2.92Å; S501-G505 PolarHBondContact O-N 3.44Å; F502-G505 PolarHBondContact O-N 3.4Å; Y503-G505 VanDerWaalsContact C-N 3.31Å; G505-A507 VanDerWaalsContact C-N 3.25Å; G505-A507 PolarHBondContact O-N 3.28Å; G505-S508 WeakPolarHBondContact O-CB 3.39Å; G505-S508 PolarHBondContact O-N 3.11Å; G505-S508 VanDerWaalsContact O-N 3.11Å; G505-S508 PolarHBondContact O-OG 3.29Å
506K85.9Confident85.6Confident48 Ų4848 Ų4821%0.20927%0.269CS..Hα-helixtrans-61-32.4172.7-77.8-175.6168.7178.60113.2E460 Y464 F502 Y503 V504 S508 E509E460-K506 HydrophobicContact CG-CD 4.2Å; E460-K506 IonicContact OE2-NZ 2.65Å; E460-K506 PolarHBondContact OE2-NZ 2.95Å; Y464-K506 HydrophobicContact CE1-CB 4.25Å; F502-K506 HydrophobicContact CE1-CD 4.15Å; F502-K506 HydrophobicContact CZ-CD 4.26Å; F502-K506 PolarHBondContact O-N 3.37Å; Y503-K506 WeakPolarHBondContact O-CB 3.47Å; Y503-K506 PolarHBondContact O-N 3.33Å; V504-K506 VanDerWaalsContact C-N 3.35Å; V504-K506 PolarHBondContact O-N 3.12Å; K506-S508 PolarHBondContact O-N 3.43Å; K506-E509 WeakPolarHBondContact O-CB 3.38Å; K506-E509 PolarHBondContact O-N 2.61Å
507A85.8Confident85.5Confident0 Ų051.7 Ų51.70%028%0.283CS..Hα-helixtrans-63.6-34.6176.500000111.3Y464 C467 F468 Y503 V504 G505 E509 I510Y464-A507 HydrophobicContact CD1-CB 3.83Å; Y464-A507 HydrophobicContact CE1-CB 4.12Å; C467-A507 HydrophobicContact CB-CB 3.88Å; F468-A507 HydrophobicContact CE2-CB 3.84Å; F468-A507 HydrophobicContact CZ-CB 4.1Å; F468-A507 WeakPolarHBondContact CZ-O 3.28Å; Y503-A507 PolarHBondContact O-N 3.25Å; Y503-A507 VanDerWaalsContact O-N 3.09Å; V504-A507 VanDerWaalsContact O-CB 3.27Å; V504-A507 WeakPolarHBondContact O-CB 3.49Å; V504-A507 PolarHBondContact O-N 3.19Å; G505-A507 VanDerWaalsContact C-N 3.25Å; G505-A507 PolarHBondContact O-N 3.28Å; A507-E509 PolarHBondContact O-N 3.34Å; A507-I510 PolarHBondContact O-N 3.14Å
508S83.6Confident85.5Confident74 Ų7451.7 Ų51.752%0.51728%0.283SS..Hα-helixtrans-63.5-20.317877.50000114.5V504 G505 K506 I510V504-S508 PolarHBondContact O-N 3.3Å; G505-S508 WeakPolarHBondContact O-CB 3.39Å; G505-S508 PolarHBondContact O-N 3.11Å; G505-S508 VanDerWaalsContact O-N 3.11Å; G505-S508 PolarHBondContact O-OG 3.29Å; K506-S508 PolarHBondContact O-N 3.43Å; S508-I510 PolarHBondContact O-N 3.43Å
509E83.3Confident85.7Confident134 Ų13450.4 Ų50.463%0.62627%0.274SS*.THydrogen-bonded Turntrans-70.9-18.2175.4-61.1-179.3177.800113R424 K506 A507R424-E509 IonicContact NH1-OE2 3.89Å; K506-E509 WeakPolarHBondContact O-CB 3.38Å; K506-E509 PolarHBondContact O-N 2.61Å; A507-E509 PolarHBondContact O-N 3.34Å
510I77.4Confident85.9Confident18 Ų1848.8 Ų48.89%0.09227%0.266CS..THydrogen-bonded Turntrans-102.4-41-168.5-53.8-168.8000111.3Q425 F428 Y464 F468 A507 S508Q425-I510 PolarHBondContact NE2-O 3.4Å; F428-I510 HydrophobicContact CB-CG2 4.49Å; F428-I510 HydrophobicContact CD2-CD1 3.79Å; F428-I510 HydrophobicContact CD2-CG2 3.44Å; F428-I510 VanDerWaalsContact CD2-CG2 3.44Å; F428-I510 HydrophobicContact CE1-CD1 4.46Å; F428-I510 HydrophobicContact CE2-CD1 3.23Å; F428-I510 HydrophobicContact CE2-CG1 4.45Å; F428-I510 HydrophobicContact CE2-CG2 4.03Å; F428-I510 HydrophobicContact CG-CG2 3.99Å; F428-I510 HydrophobicContact CZ-CD1 3.62Å; Y464-I510 HydrophobicContact CD1-CD1 4.15Å; Y464-I510 HydrophobicContact CE1-CD1 3.58Å; Y464-I510 HydrophobicContact CE1-CG1 4.49Å; Y464-I510 HydrophobicContact CE2-CD1 3.97Å; Y464-I510 VanDerWaalsContact CZ-CD1 3.45Å; F468-I510 HydrophobicContact CE2-CB 4.49Å; F468-I510 HydrophobicContact CZ-CB 4.45Å; A507-I510 PolarHBondContact O-N 3.14Å; S508-I510 PolarHBondContact O-N 3.43Å
511G76.6Confident86.2Confident34 Ų3448.9 Ų48.935%0.35127%0.267SS..SBendtrans-164.3-179.5-17400000112.5F513G511-F513 PolarHBondContact O-N 3.38Å; G511-F513 VanDerWaalsContact O-N 3.14Å
512T78.6Confident86.5Confident142 Ų14246.9 Ų46.987%0.87125%0.252SS*.  trans-70.2108.5178.450.60000110
513F81.3Confident86.7Confident45 Ų4542.6 Ų42.620%0.19723%0.234CC..  trans-95.2146.9178.4165.2-103.5000111.6C467 V504 G511 W515 C518C467-F513 HydrophobicContact CB-CD2 3.67Å; C467-F513 HydrophobicContact CB-CE2 3.91Å; C467-F513 VanDerWaalsContact SG-CD2 3.59Å; C467-F513 WeakPolarHBondContact SG-CE2 3.48Å; V504-F513 HydrophobicContact CB-CZ 4.41Å; V504-F513 HydrophobicContact CG1-CD1 3.9Å; V504-F513 HydrophobicContact CG1-CD2 4.31Å; V504-F513 HydrophobicContact CG1-CE1 3.23Å; V504-F513 HydrophobicContact CG1-CE2 3.7Å; V504-F513 HydrophobicContact CG1-CG 4.39Å; V504-F513 HydrophobicContact CG1-CZ 3.11Å; G511-F513 PolarHBondContact O-N 3.38Å; G511-F513 VanDerWaalsContact O-N 3.14Å; F513-W515 HydrophobicContact CE1-CB 4.32Å; F513-W515 AromaticContact CE1-CD1 3.6Å; F513-W515 AromaticContact CE1-CD2 3.86Å; F513-W515 HydrophobicContact CE1-CD2 3.86Å; F513-W515 AromaticContact CE1-CE2 3.91Å; F513-W515 AromaticContact CE1-CG 3.67Å; F513-W515 HydrophobicContact CE1-CG 3.67Å; F513-W515 AromaticContact CE1-NE1 3.72Å; F513-W515 HydrophobicContact CZ-CB 4.22Å; F513-W515 AromaticContact CZ-CD2 3.71Å; F513-W515 HydrophobicContact CZ-CD2 3.71Å; F513-W515 HydrophobicContact CZ-CE3 4.06Å; F513-W515 AromaticContact CZ-CG 3.78Å; F513-W515 HydrophobicContact CZ-CG 3.78Å; F513-C518 HydrophobicContact CE2-CB 3.92Å; F513-C518 HydrophobicContact CZ-CB 4.14Å
514S84Confident86.9Confident57 Ų5744.8 Ų44.840%0.39925%0.25SS..  trans-132.5131.9166.873.50000111.3K516 R517 C518S514-K516 PolarHBondContact O-N 2.95Å; S514-R517 PolarHBondContact O-N 3.26Å; S514-R517 VanDerWaalsContact OG-CB 3.28Å; S514-R517 WeakPolarHBondContact OG-CB 3.37Å; S514-R517 PolarHBondContact OG-N 3.41Å; S514-C518 PolarHBondContact O-N 2.93Å
515W86.2Confident87.2Confident74 Ų7444.8 Ų44.828%0.2825%0.25SS..Hα-helixtrans-61.2-30173.8-84.8109.9000112.7L500 V504 F513 C518 A519 L561 I564L500-W515 HydrophobicContact CD2-CH2 4.49Å; L500-W515 HydrophobicContact CD2-CZ3 4.17Å; L500-W515 HydrophobicContact CG-CH2 4.36Å; L500-W515 HydrophobicContact CG-CZ3 4.39Å; V504-W515 HydrophobicContact CB-CH2 4Å; V504-W515 HydrophobicContact CB-CZ2 4.14Å; V504-W515 HydrophobicContact CG1-CD2 4.44Å; V504-W515 HydrophobicContact CG1-CH2 3.87Å; V504-W515 HydrophobicContact CG1-CZ2 3.64Å; V504-W515 HydrophobicContact CG1-CZ3 4.35Å; V504-W515 HydrophobicContact CG2-CH2 3.87Å; V504-W515 HydrophobicContact CG2-CZ2 4.48Å; V504-W515 HydrophobicContact CG2-CZ3 4.09Å; F513-W515 HydrophobicContact CE1-CB 4.32Å; F513-W515 AromaticContact CE1-CD1 3.6Å; F513-W515 AromaticContact CE1-CD2 3.86Å; F513-W515 HydrophobicContact CE1-CD2 3.86Å; F513-W515 AromaticContact CE1-CE2 3.91Å; F513-W515 AromaticContact CE1-CG 3.67Å; F513-W515 HydrophobicContact CE1-CG 3.67Å; F513-W515 AromaticContact CE1-NE1 3.72Å; F513-W515 HydrophobicContact CZ-CB 4.22Å; F513-W515 AromaticContact CZ-CD2 3.71Å; F513-W515 HydrophobicContact CZ-CD2 3.71Å; F513-W515 HydrophobicContact CZ-CE3 4.06Å; F513-W515 AromaticContact CZ-CG 3.78Å; F513-W515 HydrophobicContact CZ-CG 3.78Å; W515-C518 HydrophobicContact CE3-CB 4.42Å; W515-C518 PolarHBondContact O-N 2.96Å; W515-A519 WeakPolarHBondContact O-CB 3.45Å; W515-A519 PolarHBondContact O-N 3.34Å; W515-L561 HydrophobicContact CB-CD2 3.47Å; W515-L561 VanDerWaalsContact CB-CD2 3.47Å; W515-L561 HydrophobicContact CD2-CD2 4.37Å; W515-L561 HydrophobicContact CG-CD2 3.9Å; W515-I564 HydrophobicContact CB-CD1 4.32Å
516K88.3Confident87.4Confident63 Ų6343.4 Ų43.427%0.27424%0.235SC..Hα-helixtrans-55.7-51173.2175.3167.7175.5163.20111.4S514 C518 A519 E520 D566 T567S514-K516 PolarHBondContact O-N 2.95Å; K516-C518 VanDerWaalsContact C-N 3.35Å; K516-C518 PolarHBondContact O-N 3.42Å; K516-A519 PolarHBondContact O-N 3.09Å; K516-E520 WeakPolarHBondContact CE-OE1 3.38Å; K516-E520 HydrophobicContact CG-CG 4.49Å; K516-E520 WeakPolarHBondContact CG-OE1 3.43Å; K516-E520 WeakPolarHBondContact O-CG 3.36Å; K516-E520 PolarHBondContact O-N 3.33Å; K516-D566 WeakPolarHBondContact CE-O 3.35Å; K516-D566 PolarHBondContact NZ-O 2.98Å; K516-T567 HydrophobicContact CB-CG2 3.87Å; K516-T567 HydrophobicContact CD-CG2 3.96Å; K516-T567 HydrophobicContact CG-CG2 3.93Å
517R90.5Very high87.6Confident77 Ų7746.6 Ų46.629%0.29125%0.249SC..Hα-helixtrans-60.7-44.2178.9-176.564.767.8147.710.8112.2A469 E470 S514 A519 E520 N521A469-R517 WeakPolarHBondContact O-CD 3.19Å; E470-R517 VanDerWaalsContact CA-NH1 3.35Å; E470-R517 PolarHBondContact O-NH1 3.19Å; S514-R517 PolarHBondContact O-N 3.26Å; S514-R517 VanDerWaalsContact OG-CB 3.28Å; S514-R517 WeakPolarHBondContact OG-CB 3.37Å; S514-R517 PolarHBondContact OG-N 3.41Å; R517-A519 VanDerWaalsContact C-N 3.3Å; R517-A519 PolarHBondContact O-N 3.05Å; R517-E520 IonicContact NE-OE2 2.69Å; R517-E520 PolarHBondContact O-N 2.83Å; R517-N521 WeakPolarHBondContact O-CB 3.27Å; R517-N521 PolarHBondContact O-N 3.22Å
518C91.7Very high87.6Confident1 Ų149.8 Ų49.81%0.00726%0.264CS..Hα-helixtrans-57.9-44.8176.6-173.50000111.4F513 S514 W515 K516 N521 I522F513-C518 HydrophobicContact CE2-CB 3.92Å; F513-C518 HydrophobicContact CZ-CB 4.14Å; S514-C518 PolarHBondContact O-N 2.93Å; W515-C518 HydrophobicContact CE3-CB 4.42Å; W515-C518 PolarHBondContact O-N 2.96Å; K516-C518 VanDerWaalsContact C-N 3.35Å; K516-C518 PolarHBondContact O-N 3.42Å; C518-N521 PolarHBondContact O-N 3.46Å; C518-I522 VanDerWaalsContact O-CG1 3.28Å; C518-I522 WeakPolarHBondContact O-CG1 3.28Å; C518-I522 PolarHBondContact O-N 2.95Å
519A92Very high87.6Confident2 Ų247.7 Ų47.72%0.01725%0.246CC..Hα-helixtrans-64.6-42.9176.800000112.5W515 K516 R517 N521 I522 L523 L561 V570 I574W515-A519 WeakPolarHBondContact O-CB 3.45Å; W515-A519 PolarHBondContact O-N 3.34Å; K516-A519 PolarHBondContact O-N 3.09Å; R517-A519 VanDerWaalsContact C-N 3.3Å; R517-A519 PolarHBondContact O-N 3.05Å; A519-N521 VanDerWaalsContact C-N 3.32Å; A519-N521 PolarHBondContact O-N 3.29Å; A519-I522 PolarHBondContact O-N 3.09Å; A519-L523 WeakPolarHBondContact O-CB 3.12Å; A519-L523 PolarHBondContact O-N 3.46Å; A519-L561 HydrophobicContact CB-CD1 3.91Å; A519-V570 HydrophobicContact CB-CG1 3.86Å; A519-I574 HydrophobicContact CB-CD1 3.89Å; A519-I574 WeakPolarHBondContact O-CD1 3.46Å
520E93.7Very high87.5Confident56 Ų5647.9 Ų47.926%0.26225%0.245SC..Hα-helixtrans-60.2-41175.7-71.7167.8170.100112.1K516 R517 L523 S524 V570K516-E520 WeakPolarHBondContact CE-OE1 3.38Å; K516-E520 HydrophobicContact CG-CG 4.49Å; K516-E520 WeakPolarHBondContact CG-OE1 3.43Å; K516-E520 WeakPolarHBondContact O-CG 3.36Å; K516-E520 PolarHBondContact O-N 3.33Å; R517-E520 IonicContact NE-OE2 2.69Å; R517-E520 PolarHBondContact O-N 2.83Å; E520-L523 PolarHBondContact O-N 3.36Å; E520-S524 WeakPolarHBondContact O-CB 3.47Å; E520-S524 PolarHBondContact O-N 2.87Å; E520-S524 PolarHBondContact O-OG 3.24Å; E520-V570 HydrophobicContact CG-CG1 4.04Å; E520-V570 HydrophobicContact CG-CG2 3.93Å
521N94.4Very high87.6Confident11 Ų1151.5 Ų51.56%0.05927%0.272CS..Hα-helixtrans-69.4-41.3176.9-73-17.3000111.7L466 A469 L475 R517 C518 A519 L523 S524 L525L466-N521 HydrophobicContact CD2-CB 4.43Å; L466-N521 PolarHBondContact O-ND2 2.93Å; A469-N521 PolarHBondContact O-ND2 3.26Å; L475-N521 HydrophobicContact CD1-CB 3.9Å; L475-N521 HydrophobicContact CD2-CB 4.37Å; R517-N521 WeakPolarHBondContact O-CB 3.27Å; R517-N521 PolarHBondContact O-N 3.22Å; C518-N521 PolarHBondContact O-N 3.46Å; A519-N521 VanDerWaalsContact C-N 3.32Å; A519-N521 PolarHBondContact O-N 3.29Å; N521-L523 VanDerWaalsContact C-N 3.32Å; N521-L523 PolarHBondContact O-N 2.97Å; N521-S524 PolarHBondContact O-N 3.31Å; N521-L525 WeakPolarHBondContact O-CG 3.37Å; N521-L525 PolarHBondContact O-N 3.24Å
522I93.7Very high87.6Confident6 Ų652.2 Ų52.23%0.03127%0.267CS..Hα-helixtrans-59.2-44.6172-70.5167000110.7L466 C518 A519 S524 L525 L526 M543 L547 I574L466-I522 HydrophobicContact CD2-CG1 4.49Å; C518-I522 VanDerWaalsContact O-CG1 3.28Å; C518-I522 WeakPolarHBondContact O-CG1 3.28Å; C518-I522 PolarHBondContact O-N 2.95Å; A519-I522 PolarHBondContact O-N 3.09Å; I522-S524 VanDerWaalsContact C-N 3.32Å; I522-S524 PolarHBondContact O-N 2.92Å; I522-L525 PolarHBondContact O-N 2.99Å; I522-L526 HydrophobicContact CG2-CD1 4.02Å; I522-L526 HydrophobicContact CG2-CG 4.46Å; I522-L526 WeakPolarHBondContact O-CG 3.43Å; I522-L526 PolarHBondContact O-N 2.99Å; I522-M543 HydrophobicContact CG1-CE 4.01Å; I522-M543 HydrophobicContact CG2-CE 4.35Å; I522-L547 HydrophobicContact CG2-CD1 4Å; I522-I574 HydrophobicContact CG2-CD1 4.47Å
523L94.5Very high87Confident11 Ų1149.5 Ų49.56%0.05825%0.247CC..Hα-helixtrans-62-41.7178179.557.5000111.8A519 E520 N521 L526 K527 V570 N573 I574A519-L523 WeakPolarHBondContact O-CB 3.12Å; A519-L523 PolarHBondContact O-N 3.46Å; E520-L523 PolarHBondContact O-N 3.36Å; N521-L523 VanDerWaalsContact C-N 3.32Å; N521-L523 PolarHBondContact O-N 2.97Å; L523-L526 PolarHBondContact O-N 3.45Å; L523-K527 HydrophobicContact CD1-CD 4.4Å; L523-K527 HydrophobicContact CD1-CG 4.31Å; L523-K527 HydrophobicContact CG-CD 4.3Å; L523-K527 WeakPolarHBondContact O-CG 3.35Å; L523-K527 PolarHBondContact O-N 3.39Å; L523-V570 HydrophobicContact CD2-CG1 4.21Å; L523-N573 HydrophobicContact CD1-CB 3.78Å; L523-N573 HydrophobicContact CD2-CB 3.68Å; L523-N573 HydrophobicContact CG-CB 4.41Å; L523-I574 HydrophobicContact CB-CD1 4.33Å; L523-I574 HydrophobicContact CB-CG1 3.73Å; L523-I574 HydrophobicContact CD1-CG1 4Å; L523-I574 HydrophobicContact CG-CG1 4.34Å
524S92.2Very high86Confident51 Ų5152.2 Ų52.236%0.35727%0.269SS..Hα-helixtrans-63.7-45.4179.4-58.10000111E520 N521 I522 L526 K527 E528E520-S524 WeakPolarHBondContact O-CB 3.47Å; E520-S524 PolarHBondContact O-N 2.87Å; E520-S524 PolarHBondContact O-OG 3.24Å; N521-S524 PolarHBondContact O-N 3.31Å; I522-S524 VanDerWaalsContact C-N 3.32Å; I522-S524 PolarHBondContact O-N 2.92Å; S524-L526 PolarHBondContact O-N 2.88Å; S524-K527 PolarHBondContact O-N 3.4Å; S524-E528 PolarHBondContact O-N 3Å
525L91.1Very high84.8Confident5 Ų556.5 Ų56.53%0.02629%0.288CS..Hα-helixtrans-61.1-41.6174.7-68.8171.8000112.5L466 L475 F478 T479 N521 I522 K527 E528 E529L466-L525 HydrophobicContact CD2-CD1 3.54Å; L475-L525 HydrophobicContact CD1-CD1 4.2Å; L475-L525 HydrophobicContact CD1-CD2 4.21Å; L475-L525 HydrophobicContact CD1-CG 4.12Å; L475-L525 HydrophobicContact CD2-CD2 4.33Å; L475-L525 HydrophobicContact CD2-CG 4.21Å; L475-L525 HydrophobicContact CG-CD2 4.05Å; L475-L525 HydrophobicContact CG-CG 4.28Å; F478-L525 HydrophobicContact CD1-CD1 3.61Å; F478-L525 HydrophobicContact CD1-CD2 4.01Å; F478-L525 HydrophobicContact CD1-CG 4.49Å; F478-L525 HydrophobicContact CE1-CD1 3.68Å; F478-L525 HydrophobicContact CG-CD1 4.08Å; F478-L525 HydrophobicContact CZ-CD1 4.19Å; T479-L525 HydrophobicContact CG2-CD2 3.82Å; N521-L525 WeakPolarHBondContact O-CG 3.37Å; N521-L525 PolarHBondContact O-N 3.24Å; I522-L525 PolarHBondContact O-N 2.99Å; L525-K527 VanDerWaalsContact C-N 3.35Å; L525-K527 PolarHBondContact O-N 3.45Å; L525-E528 PolarHBondContact O-N 3.3Å; L525-E529 WeakPolarHBondContact O-CB 3.4Å; L525-E529 PolarHBondContact O-N 3.3Å
526L90.7Very high83.5Confident3 Ų357.8 Ų57.82%0.01630%0.304CS..Hα-helixtrans-66.2-35.7177.2-75.4174.3000112.9I522 L523 S524 K530 M543 L547 I574 T577 L578I522-L526 HydrophobicContact CG2-CD1 4.02Å; I522-L526 HydrophobicContact CG2-CG 4.46Å; I522-L526 WeakPolarHBondContact O-CG 3.43Å; I522-L526 PolarHBondContact O-N 2.99Å; L523-L526 PolarHBondContact O-N 3.45Å; S524-L526 PolarHBondContact O-N 2.88Å; L526-K530 PolarHBondContact O-N 2.94Å; L526-M543 HydrophobicContact CD2-CB 4.44Å; L526-M543 HydrophobicContact CD2-CG 4.37Å; L526-L547 HydrophobicContact CD1-CD1 4.1Å; L526-L547 HydrophobicContact CD2-CD1 4.08Å; L526-L547 HydrophobicContact CG-CD1 4.33Å; L526-I574 HydrophobicContact CD1-CG2 4.02Å; L526-T577 HydrophobicContact CB-CG2 3.82Å; L526-L578 HydrophobicContact CD1-CB 4.43Å; L526-L578 HydrophobicContact CD2-CD1 4.27Å
527K90Very high81.8Confident114 Ų11456.5 Ų56.550%0.49630%0.303SS..Hα-helixtrans-69.7-41.5175.6-76.1177.3177179.20111.4L523 S524 L525 K530 S531L523-K527 HydrophobicContact CD1-CD 4.4Å; L523-K527 HydrophobicContact CD1-CG 4.31Å; L523-K527 HydrophobicContact CG-CD 4.3Å; L523-K527 WeakPolarHBondContact O-CG 3.35Å; L523-K527 PolarHBondContact O-N 3.39Å; S524-K527 PolarHBondContact O-N 3.4Å; L525-K527 VanDerWaalsContact C-N 3.35Å; L525-K527 PolarHBondContact O-N 3.45Å; K527-K530 PolarHBondContact O-N 3.44Å; K527-S531 PolarHBondContact O-N 3.45Å
528E85.4Confident80.1Confident68 Ų6859.1 Ų59.132%0.31833%0.327SS..Hα-helixtrans-61.1-46.1175.1-168178.1175.400110.6S524 L525 K530 S531 I532 F540S524-E528 PolarHBondContact O-N 3Å; L525-E528 PolarHBondContact O-N 3.3Å; E528-K530 VanDerWaalsContact C-N 3.31Å; E528-K530 PolarHBondContact O-N 2.87Å; E528-S531 WeakPolarHBondContact O-CB 3.38Å; E528-S531 PolarHBondContact O-N 2.57Å; E528-S531 PolarHBondContact O-OG 3.13Å; E528-I532 WeakPolarHBondContact O-CG1 3.45Å; E528-F540 HydrophobicContact CG-CZ 4.37Å
529E84.7Confident78.4Confident30 Ų3065.6 Ų65.614%0.1436%0.362CS..Hα-helixtrans-55.8-41.9176.1-170.5175.9170.700112.8L525 S531 I532 F540 R542 M543 S544L525-E529 WeakPolarHBondContact O-CB 3.4Å; L525-E529 PolarHBondContact O-N 3.3Å; E529-S531 VanDerWaalsContact C-N 3.31Å; E529-S531 PolarHBondContact O-N 2.83Å; E529-I532 PolarHBondContact O-N 3.29Å; E529-F540 HydrophobicContact CB-CD1 4.45Å; E529-F540 HydrophobicContact CB-CE1 3.68Å; E529-F540 HydrophobicContact CB-CZ 4.47Å; E529-F540 HydrophobicContact CG-CD1 4.1Å; E529-F540 HydrophobicContact CG-CE1 3.8Å; E529-R542 WeakPolarHBondContact OE1-CA 3.33Å; E529-M543 PolarHBondContact OE2-N 3.24Å; E529-M543 VanDerWaalsContact OE2-N 3.13Å; E529-S544 VanDerWaalsContact CD-OG 3.31Å; E529-S544 WeakPolarHBondContact OE1-CB 3.3Å; E529-S544 PolarHBondContact OE1-OG 2.88Å; E529-S544 WeakPolarHBondContact OE2-CB 3.13Å; E529-S544 PolarHBondContact OE2-N 3.49Å
530K80.9Confident77Confident137 Ų13767.6 Ų67.660%0.59637%0.37SS*.Hα-helixtrans-70.9-23.3177.7-77.6-163.1-180-177.60114.5L526 K527 E528 T577L526-K530 PolarHBondContact O-N 2.94Å; K527-K530 PolarHBondContact O-N 3.44Å; E528-K530 VanDerWaalsContact C-N 3.31Å; E528-K530 PolarHBondContact O-N 2.87Å; K530-T577 HydrophobicContact CD-CG2 3.79Å; K530-T577 VanDerWaalsContact CE-CG2 3.48Å; K530-T577 WeakPolarHBondContact CE-O 3.43Å; K530-T577 HydrophobicContact CG-CG2 4.35Å; K530-T577 PolarHBondContact NZ-O 3.31Å
531S80.2Confident75.7Confident95 Ų9565.8 Ų65.866%0.66436%0.363SS*.Hα-helixtrans-76.2-16.1178.173.90000112.5K527 E528 E529K527-S531 PolarHBondContact O-N 3.45Å; E528-S531 WeakPolarHBondContact O-CB 3.38Å; E528-S531 PolarHBondContact O-N 2.57Å; E528-S531 PolarHBondContact O-OG 3.13Å; E529-S531 VanDerWaalsContact C-N 3.31Å; E529-S531 PolarHBondContact O-N 2.83Å
532I75.2Confident74.9Confident48 Ų4871 Ų7125%0.24638%0.382CS..SBendtrans-92.2135-176.5-61.2166.7000109.6E528 E529 S537 F540E528-I532 WeakPolarHBondContact O-CG1 3.45Å; E529-I532 PolarHBondContact O-N 3.29Å; I532-S537 WeakPolarHBondContact CG2-OG 3.48Å; I532-F540 HydrophobicContact CD1-CD1 3.98Å; I532-F540 HydrophobicContact CD1-CD2 3.29Å; I532-F540 HydrophobicContact CD1-CE1 3.94Å; I532-F540 HydrophobicContact CD1-CE2 3.21Å; I532-F540 HydrophobicContact CD1-CG 3.67Å; I532-F540 HydrophobicContact CD1-CZ 3.56Å
533D65.9Low74.5Confident86 Ų8671 Ų7146%0.4638%0.381SS..  trans-72.6119178.6-175.5-7000109.8D535 T536D533-D535 PolarHBondContact O-N 3.36Å; D533-D535 PolarHBondContact OD1-N 2.96Å; D533-T536 HydrophobicContact CB-CG2 4.04Å; D533-T536 PolarHBondContact O-N 3.39Å; D533-T536 PolarHBondContact O-OG1 3.42Å
534P61.4Low74.1Confident101 Ų10172 Ų7266%0.65639%0.389SS*.THydrogen-bonded Turntrans-57.1-24.4-174.422.2-34.9000114.1
535D59Low73.8Confident148 Ų14872.8 Ų72.879%0.79139%0.387SS*.THydrogen-bonded Turntrans-82-17.2-179.7-71.8-22.7000113.1D533D533-D535 PolarHBondContact O-N 3.36Å; D533-D535 PolarHBondContact OD1-N 2.96Å
536T57.6Low73.6Confident101 Ų10173.6 Ų73.662%0.6239%0.392SS*.THydrogen-bonded Turntrans-98.4-26.8-168.959.60000115.1D533D533-T536 HydrophobicContact CB-CG2 4.04Å; D533-T536 PolarHBondContact O-N 3.39Å; D533-T536 PolarHBondContact O-OG1 3.42Å
537S54Low73.6Confident35 Ų3573.6 Ų73.625%0.24539%0.392CS..  trans-123.496.4-175.769.50000112.3I532 D539 F540I532-S537 WeakPolarHBondContact CG2-OG 3.48Å; S537-D539 PolarHBondContact O-N 3.48Å; S537-F540 WeakPolarHBondContact OG-CB 3.25Å
538V53.3Low73.7Confident132 Ų13270.3 Ų70.380%0.838%0.379SS*.THydrogen-bonded Turntrans-66.9-25.8172.9-172.60000111.3
539D55.8Low73.8Confident138 Ų13873.2 Ų73.274%0.73839%0.391SS*.THydrogen-bonded Turntrans-96.90.5-170.5-60-34.5000114.6S537S537-D539 PolarHBondContact O-N 3.48Å
540F63Low74Confident43 Ų4373 Ų7319%0.18939%0.391CS..SBendtrans-73142.7-178.7-168.7-96.1000111.9T479 E528 E529 I532 S537 R542T479-F540 HydrophobicContact CG2-CE2 4.21Å; T479-F540 HydrophobicContact CG2-CZ 4.27Å; E528-F540 HydrophobicContact CG-CZ 4.37Å; E529-F540 HydrophobicContact CB-CD1 4.45Å; E529-F540 HydrophobicContact CB-CE1 3.68Å; E529-F540 HydrophobicContact CB-CZ 4.47Å; E529-F540 HydrophobicContact CG-CD1 4.1Å; E529-F540 HydrophobicContact CG-CE1 3.8Å; I532-F540 HydrophobicContact CD1-CD1 3.98Å; I532-F540 HydrophobicContact CD1-CD2 3.29Å; I532-F540 HydrophobicContact CD1-CE1 3.94Å; I532-F540 HydrophobicContact CD1-CE2 3.21Å; I532-F540 HydrophobicContact CD1-CG 3.67Å; I532-F540 HydrophobicContact CD1-CZ 3.56Å; S537-F540 WeakPolarHBondContact OG-CB 3.25Å; F540-R542 PolarHBondContact O-N 3.05Å; F540-R542 VanDerWaalsContact O-N 3.08Å
541V67.5Low74.6Confident18 Ų1866.7 Ų66.711%0.10936%0.363CS..  trans-68.6104.5179.9-171.50000109.9F478 C482 L493 M543F478-V541 HydrophobicContact CE1-CG1 4.31Å; C482-V541 HydrophobicContact CB-CB 4.22Å; C482-V541 HydrophobicContact CB-CG1 3.95Å; C482-V541 HydrophobicContact CB-CG2 3.19Å; L493-V541 HydrophobicContact CD2-CG1 3.43Å; L493-V541 VanDerWaalsContact CD2-CG1 3.43Å; V541-M543 VanDerWaalsContact C-N 3.28Å; V541-M543 PolarHBondContact O-N 2.89Å
542R77.4Confident75.1Confident122 Ų12265 Ų6546%0.4634%0.344SS..  trans-77.679.3177.5-62.8-177.5-179.5-172-3.3111.1E529 F540 S544 E545 N546E529-R542 WeakPolarHBondContact OE1-CA 3.33Å; F540-R542 PolarHBondContact O-N 3.05Å; F540-R542 VanDerWaalsContact O-N 3.08Å; R542-S544 VanDerWaalsContact C-N 3.3Å; R542-E545 HydrophobicContact CB-CB 3.81Å; R542-E545 VanDerWaalsContact CD-OE2 3.23Å; R542-E545 WeakPolarHBondContact CD-OE2 3.21Å; R542-E545 IonicContact NH1-OE2 3.56Å; R542-E545 PolarHBondContact O-N 2.66Å; R542-N546 PolarHBondContact O-N 3.21Å; R542-N546 PolarHBondContact O-ND2 2.87Å
543M83.9Confident75.8Confident4 Ų467.8 Ų67.82%0.0235%0.351CS..Hα-helixtrans-61.5-43.1175.8-173.364.3179.900110.1F478 L493 I497 I522 L526 E529 V541 E545 N546 L547F478-M543 HydrophobicContact CZ-SD 4.4Å; L493-M543 HydrophobicContact CD1-SD 3.96Å; L493-M543 HydrophobicContact CD2-SD 4.49Å; I497-M543 HydrophobicContact CD1-CE 4.02Å; I497-M543 HydrophobicContact CD1-SD 3.84Å; I497-M543 HydrophobicContact CG1-CE 4.36Å; I522-M543 HydrophobicContact CG1-CE 4.01Å; I522-M543 HydrophobicContact CG2-CE 4.35Å; L526-M543 HydrophobicContact CD2-CB 4.44Å; L526-M543 HydrophobicContact CD2-CG 4.37Å; E529-M543 PolarHBondContact OE2-N 3.24Å; E529-M543 VanDerWaalsContact OE2-N 3.13Å; V541-M543 VanDerWaalsContact C-N 3.28Å; V541-M543 PolarHBondContact O-N 2.89Å; M543-E545 PolarHBondContact O-N 3.08Å; M543-N546 PolarHBondContact O-N 3.5Å; M543-L547 HydrophobicContact CE-CD1 3.98Å; M543-L547 HydrophobicContact CE-CD2 3.94Å; M543-L547 HydrophobicContact CE-CG 4.01Å; M543-L547 HydrophobicContact CG-CD1 3.88Å; M543-L547 HydrophobicContact CG-CG 4.29Å; M543-L547 WeakPolarHBondContact O-CB 3.49Å; M543-L547 VanDerWaalsContact O-CG 3.3Å; M543-L547 WeakPolarHBondContact O-CG 3.3Å; M543-L547 PolarHBondContact O-N 2.9Å; M543-L547 HydrophobicContact SD-CG 4.46Å
544S87.5Confident77Confident33 Ų3363.9 Ų63.923%0.23133%0.331CS..Hα-helixtrans-55.7-48.6177.771.80000112.2E529 R542 N546 L547 L548E529-S544 VanDerWaalsContact CD-OG 3.31Å; E529-S544 WeakPolarHBondContact OE1-CB 3.3Å; E529-S544 PolarHBondContact OE1-OG 2.88Å; E529-S544 WeakPolarHBondContact OE2-CB 3.13Å; E529-S544 PolarHBondContact OE2-N 3.49Å; R542-S544 VanDerWaalsContact C-N 3.3Å; S544-N546 PolarHBondContact O-N 3.46Å; S544-L547 PolarHBondContact O-N 3.26Å; S544-L548 WeakPolarHBondContact O-CB 3.33Å; S544-L548 VanDerWaalsContact O-CG 3.24Å; S544-L548 WeakPolarHBondContact O-CG 3.46Å; S544-L548 PolarHBondContact O-N 3.36Å
545E86Confident78.5Confident68 Ų6859.1 Ų59.132%0.31830%0.3SS..Hα-helixtrans-60.7-43.3-179.4-172-176.7152.800111.7R542 M543 L548 K549R542-E545 HydrophobicContact CB-CB 3.81Å; R542-E545 VanDerWaalsContact CD-OE2 3.23Å; R542-E545 WeakPolarHBondContact CD-OE2 3.21Å; R542-E545 IonicContact NH1-OE2 3.56Å; R542-E545 PolarHBondContact O-N 2.66Å; M543-E545 PolarHBondContact O-N 3.08Å; E545-L548 PolarHBondContact O-N 2.9Å; E545-K549 HydrophobicContact CG-CD 4.49Å; E545-K549 WeakPolarHBondContact O-CB 3.37Å; E545-K549 WeakPolarHBondContact O-CG 3.19Å; E545-K549 PolarHBondContact O-N 2.91Å; E545-K549 VanDerWaalsContact OE1-CE 3.24Å; E545-K549 WeakPolarHBondContact OE1-CE 3.26Å; E545-K549 IonicContact OE1-NZ 3.82Å; E545-K549 PolarHBondContact OE1-NZ 2.64Å
546N86.7Confident80.1Confident22 Ų2255.2 Ų55.212%0.11828%0.277CS..Hα-helixtrans-71.9-36-179.7-74.2-85.7000112.6L493 I497 R542 M543 S544 N550L493-N546 HydrophobicContact CD2-CB 4.34Å; L493-N546 WeakPolarHBondContact CD2-ND2 3.48Å; L493-N546 HydrophobicContact CG-CB 4.23Å; I497-N546 HydrophobicContact CD1-CB 3.31Å; R542-N546 PolarHBondContact O-N 3.21Å; R542-N546 PolarHBondContact O-ND2 2.87Å; M543-N546 PolarHBondContact O-N 3.5Å; S544-N546 PolarHBondContact O-N 3.46Å; N546-N550 PolarHBondContact O-N 2.89Å; N546-N550 PolarHBondContact O-ND2 2.81Å; N546-N550 VanDerWaalsContact O-ND2 3.11Å
547L90.6Very high81.6Confident3 Ų352.3 Ų52.32%0.01626%0.255CS..Hα-helixtrans-66.6-41.5173.5-71.8175.2000111.4I497 I522 L526 M543 S544 N550 Y551 V554 L578I497-L547 HydrophobicContact CD1-CD2 4.13Å; I497-L547 HydrophobicContact CD1-CG 4.25Å; I497-L547 HydrophobicContact CG1-CD2 4.25Å; I497-L547 HydrophobicContact CG2-CD2 4.06Å; I522-L547 HydrophobicContact CG2-CD1 4Å; L526-L547 HydrophobicContact CD1-CD1 4.1Å; L526-L547 HydrophobicContact CD2-CD1 4.08Å; L526-L547 HydrophobicContact CG-CD1 4.33Å; M543-L547 HydrophobicContact CE-CD1 3.98Å; M543-L547 HydrophobicContact CE-CD2 3.94Å; M543-L547 HydrophobicContact CE-CG 4.01Å; M543-L547 HydrophobicContact CG-CD1 3.88Å; M543-L547 HydrophobicContact CG-CG 4.29Å; M543-L547 WeakPolarHBondContact O-CB 3.49Å; M543-L547 VanDerWaalsContact O-CG 3.3Å; M543-L547 WeakPolarHBondContact O-CG 3.3Å; M543-L547 PolarHBondContact O-N 2.9Å; M543-L547 HydrophobicContact SD-CG 4.46Å; S544-L547 PolarHBondContact O-N 3.26Å; L547-N550 CarbonylContact O-C 3.57Å; L547-N550 VanDerWaalsContact O-C 3.3Å; L547-N550 PolarHBondContact O-N 3.23Å; L547-Y551 VanDerWaalsContact O-CA 3.26Å; L547-Y551 WeakPolarHBondContact O-CA 3.26Å; L547-Y551 PolarHBondContact O-N 3.14Å; L547-V554 HydrophobicContact CD2-CG1 4.05Å; L547-V554 HydrophobicContact CD2-CG2 3.65Å; L547-L578 HydrophobicContact CB-CD1 3.67Å; L547-L578 HydrophobicContact CB-CD2 4.12Å; L547-L578 HydrophobicContact CD1-CD1 4.04Å
548L90.9Very high83.4Confident44 Ų4451.1 Ų51.123%0.2325%0.246CC..Hα-helixtrans-67.6-37.7176.8-71.2172.8000112.3S544 E545 N550 Y551 L578 P581S544-L548 WeakPolarHBondContact O-CB 3.33Å; S544-L548 VanDerWaalsContact O-CG 3.24Å; S544-L548 WeakPolarHBondContact O-CG 3.46Å; S544-L548 PolarHBondContact O-N 3.36Å; E545-L548 PolarHBondContact O-N 2.9Å; L548-N550 PolarHBondContact O-N 3.38Å; L548-Y551 HydrophobicContact CD2-CD2 4.01Å; L548-Y551 HydrophobicContact CD2-CE2 4.27Å; L548-Y551 WeakPolarHBondContact O-CB 2.95Å; L548-Y551 PolarHBondContact O-N 3.43Å; L548-L578 HydrophobicContact CD2-CD1 4.1Å; L548-L578 HydrophobicContact CD2-CG 3.93Å; L548-L578 HydrophobicContact CG-CD1 3.9Å; L548-L578 HydrophobicContact CG-CG 4.3Å; L548-P581 HydrophobicContact CD2-CB 4.21Å
549K88.3Confident85.3Confident129 Ų12945.2 Ų45.256%0.56121%0.21SC*.Hα-helixtrans-61.9-28.1173.2-77.5175.7-174.6169.40113.1E545E545-K549 HydrophobicContact CG-CD 4.49Å; E545-K549 WeakPolarHBondContact O-CB 3.37Å; E545-K549 WeakPolarHBondContact O-CG 3.19Å; E545-K549 PolarHBondContact O-N 2.91Å; E545-K549 VanDerWaalsContact OE1-CE 3.24Å; E545-K549 WeakPolarHBondContact OE1-CE 3.26Å; E545-K549 IonicContact OE1-NZ 3.82Å; E545-K549 PolarHBondContact OE1-NZ 2.64Å
550N89.4Confident86.9Confident27 Ų2741.7 Ų41.714%0.14419%0.194CC..THydrogen-bonded Turntrans-113.425.9-179.4-68.2-83.2000112.3H494 I497 N546 L547 L548 K552 R553 V554H494-N550 PolarHBondContact NE2-ND2 3.11Å; I497-N550 HydrophobicContact CG2-CB 3.7Å; N546-N550 PolarHBondContact O-N 2.89Å; N546-N550 PolarHBondContact O-ND2 2.81Å; N546-N550 VanDerWaalsContact O-ND2 3.11Å; L547-N550 CarbonylContact O-C 3.57Å; L547-N550 VanDerWaalsContact O-C 3.3Å; L547-N550 PolarHBondContact O-N 3.23Å; L548-N550 PolarHBondContact O-N 3.38Å; N550-K552 PolarHBondContact O-N 3.39Å; N550-R553 PolarHBondContact O-N 3.25Å; N550-V554 HydrophobicContact CB-CG2 4.35Å; N550-V554 WeakPolarHBondContact O-CG2 3.33Å; N550-V554 PolarHBondContact O-N 2.78Å
551Y92.2Very high88.2Confident3 Ų340 Ų401%0.01219%0.187CC..Hα-helixtrans-52.3-47.8-164.3-169.1-112.1000114L547 L548 R553 V554 L555 L578 P581 I592 F596L547-Y551 VanDerWaalsContact O-CA 3.26Å; L547-Y551 WeakPolarHBondContact O-CA 3.26Å; L547-Y551 PolarHBondContact O-N 3.14Å; L548-Y551 HydrophobicContact CD2-CD2 4.01Å; L548-Y551 HydrophobicContact CD2-CE2 4.27Å; L548-Y551 WeakPolarHBondContact O-CB 2.95Å; L548-Y551 PolarHBondContact O-N 3.43Å; Y551-R553 VanDerWaalsContact C-N 3.34Å; Y551-R553 PolarHBondContact O-N 2.86Å; Y551-V554 WeakPolarHBondContact O-CB 3.37Å; Y551-V554 PolarHBondContact O-N 3.48Å; Y551-L555 HydrophobicContact CD1-CD1 3.75Å; Y551-L555 HydrophobicContact CD1-CG 4.33Å; Y551-L555 HydrophobicContact CE1-CD1 3.49Å; Y551-L555 VanDerWaalsContact CE1-CD1 3.49Å; Y551-L555 HydrophobicContact CE1-CG 4.21Å; Y551-L555 WeakPolarHBondContact O-CG 3.24Å; Y551-L555 PolarHBondContact O-N 2.85Å; Y551-L578 HydrophobicContact CD2-CD2 4.01Å; Y551-L578 HydrophobicContact CE2-CD2 3.85Å; Y551-L578 HydrophobicContact CE2-CG 4.45Å; Y551-P581 HydrophobicContact CD1-CG 3.58Å; Y551-P581 HydrophobicContact CD2-CG 4.42Å; Y551-P581 HydrophobicContact CE1-CG 3.97Å; Y551-P581 HydrophobicContact CG-CB 4.4Å; Y551-P581 HydrophobicContact CG-CG 3.82Å; Y551-I592 HydrophobicContact CD1-CD1 4.22Å; Y551-I592 HydrophobicContact CD1-CG2 4.28Å; Y551-I592 HydrophobicContact CE1-CG2 4.09Å; Y551-F596 HydrophobicContact CE1-CE2 4.11Å; Y551-F596 HydrophobicContact CE1-CZ 4.48Å
552K92Very high89.3Confident59 Ų5939.3 Ų39.326%0.25718%0.182SC..Hα-helixtrans-53.8-50.3177.5-179.7-162.6152.9-169.40111.8N550 V554 L555 E556 Q591 I592 L595N550-K552 PolarHBondContact O-N 3.39Å; K552-V554 VanDerWaalsContact C-N 3.34Å; K552-L555 WeakPolarHBondContact O-CB 3.5Å; K552-L555 PolarHBondContact O-N 3.47Å; K552-E556 WeakPolarHBondContact CE-OE1 3.38Å; K552-E556 IonicContact NZ-OE1 2.81Å; K552-E556 WeakPolarHBondContact O-CG 3.24Å; K552-E556 PolarHBondContact O-N 3.25Å; K552-Q591 HydrophobicContact CD-CB 4.43Å; K552-I592 HydrophobicContact CB-CD1 4.19Å; K552-I592 HydrophobicContact CB-CG1 3.81Å; K552-I592 HydrophobicContact CG-CG1 4.07Å; K552-L595 HydrophobicContact CG-CD1 4.26Å
553R90.2Very high89.6Confident107 Ų10738.6 Ų38.640%0.40418%0.183SC..Hα-helixtrans-70.1-35.9-175.2-161.9155.6177.2110.2-6.9111.2S498 N550 Y551 L555 E556 Y557S498-R553 VanDerWaalsContact O-CD 3.26Å; S498-R553 WeakPolarHBondContact O-CD 3.5Å; S498-R553 PolarHBondContact O-NE 3.03Å; N550-R553 PolarHBondContact O-N 3.25Å; Y551-R553 VanDerWaalsContact C-N 3.34Å; Y551-R553 PolarHBondContact O-N 2.86Å; R553-L555 VanDerWaalsContact C-N 3.34Å; R553-L555 PolarHBondContact O-N 3.01Å; R553-E556 WeakPolarHBondContact O-CB 3.26Å; R553-E556 PolarHBondContact O-N 2.87Å; R553-Y557 HydrophobicContact CG-CE2 3.74Å; R553-Y557 PolarHBondContact NE-OH 3.33Å; R553-Y557 WeakPolarHBondContact O-CD2 3.36Å; R553-Y557 VanDerWaalsContact O-CE2 3.28Å; R553-Y557 WeakPolarHBondContact O-CE2 3.49Å; R553-Y557 PolarHBondContact O-N 3.29Å
554V91.1Very high89.6Confident5 Ų541.4 Ų41.43%0.0320%0.197CC..Hα-helixtrans-59.8-43.8170.8172.40000110.9I497 L547 N550 Y551 K552 Y557 L558I497-V554 HydrophobicContact CG2-CG2 3.93Å; L547-V554 HydrophobicContact CD2-CG1 4.05Å; L547-V554 HydrophobicContact CD2-CG2 3.65Å; N550-V554 HydrophobicContact CB-CG2 4.35Å; N550-V554 WeakPolarHBondContact O-CG2 3.33Å; N550-V554 PolarHBondContact O-N 2.78Å; Y551-V554 WeakPolarHBondContact O-CB 3.37Å; Y551-V554 PolarHBondContact O-N 3.48Å; K552-V554 VanDerWaalsContact C-N 3.34Å; V554-Y557 PolarHBondContact O-N 3.11Å; V554-Y557 VanDerWaalsContact O-N 3.14Å; V554-L558 HydrophobicContact CG1-CD1 3.49Å; V554-L558 VanDerWaalsContact CG1-CD1 3.49Å; V554-L558 HydrophobicContact CG1-CG 3.97Å; V554-L558 WeakPolarHBondContact O-CB 3.11Å; V554-L558 WeakPolarHBondContact O-CG 3.37Å; V554-L558 PolarHBondContact O-N 3.28Å
555L93.3Very high89.3Confident1 Ų144.1 Ų44.11%0.00521%0.214CC..Hα-helixtrans-65.9-36.7177.3-69.5177.1000113.4Y551 K552 R553 Y557 L558 L559 L575 I592 L595 F596Y551-L555 HydrophobicContact CD1-CD1 3.75Å; Y551-L555 HydrophobicContact CD1-CG 4.33Å; Y551-L555 HydrophobicContact CE1-CD1 3.49Å; Y551-L555 VanDerWaalsContact CE1-CD1 3.49Å; Y551-L555 HydrophobicContact CE1-CG 4.21Å; Y551-L555 WeakPolarHBondContact O-CG 3.24Å; Y551-L555 PolarHBondContact O-N 2.85Å; K552-L555 WeakPolarHBondContact O-CB 3.5Å; K552-L555 PolarHBondContact O-N 3.47Å; R553-L555 VanDerWaalsContact C-N 3.34Å; R553-L555 PolarHBondContact O-N 3.01Å; L555-Y557 PolarHBondContact O-N 3.46Å; L555-Y557 VanDerWaalsContact O-N 3.13Å; L555-L558 PolarHBondContact O-N 2.96Å; L555-L559 HydrophobicContact CB-CD1 4.05Å; L555-L559 HydrophobicContact CB-CG 4.27Å; L555-L559 HydrophobicContact CD2-CD1 4.3Å; L555-L559 HydrophobicContact CD2-CD2 4.31Å; L555-L559 HydrophobicContact CD2-CG 4.14Å; L555-L559 WeakPolarHBondContact O-CB 3.47Å; L555-L559 WeakPolarHBondContact O-CG 3.4Å; L555-L559 PolarHBondContact O-N 2.92Å; L555-L575 HydrophobicContact CD2-CD2 3.66Å; L555-I592 HydrophobicContact CD1-CG2 3.7Å; L555-L595 HydrophobicContact CB-CD1 4.34Å; L555-F596 HydrophobicContact CD1-CD2 4.13Å; L555-F596 HydrophobicContact CD1-CE2 3.46Å; L555-F596 VanDerWaalsContact CD1-CE2 3.46Å; L555-F596 HydrophobicContact CD1-CZ 3.84Å; L555-F596 HydrophobicContact CD2-CE1 4.37Å; L555-F596 HydrophobicContact CD2-CE2 4.32Å; L555-F596 HydrophobicContact CD2-CZ 3.82Å
556E91.6Very high89.1Confident66 Ų6646.7 Ų46.731%0.30823%0.23SC..Hα-helixtrans-57.1-25.2173.6-71.3173.4168.300112.1K552 R553 P560 L595K552-E556 WeakPolarHBondContact CE-OE1 3.38Å; K552-E556 IonicContact NZ-OE1 2.81Å; K552-E556 WeakPolarHBondContact O-CG 3.24Å; K552-E556 PolarHBondContact O-N 3.25Å; R553-E556 WeakPolarHBondContact O-CB 3.26Å; R553-E556 PolarHBondContact O-N 2.87Å; E556-P560 WeakPolarHBondContact O-CD 3.47Å; E556-P560 VanDerWaalsContact O-CG 3.27Å; E556-P560 WeakPolarHBondContact O-CG 3.23Å; E556-L595 HydrophobicContact CG-CD1 3.73Å; E556-L595 HydrophobicContact CG-CD2 4.24Å
557Y88.1Confident89.2Confident40 Ų4045.7 Ų45.716%0.15723%0.225CC..Hα-helixtrans-98.1-40.8176.7-52.1-44.2000113.4L500 S501 R553 V554 L555 L561L500-Y557 HydrophobicContact CB-CD2 4.13Å; L500-Y557 HydrophobicContact CB-CE2 4.07Å; L500-Y557 HydrophobicContact CD2-CD2 4.23Å; S501-Y557 PolarHBondContact OG-OH 3.08Å; R553-Y557 HydrophobicContact CG-CE2 3.74Å; R553-Y557 PolarHBondContact NE-OH 3.33Å; R553-Y557 WeakPolarHBondContact O-CD2 3.36Å; R553-Y557 VanDerWaalsContact O-CE2 3.28Å; R553-Y557 WeakPolarHBondContact O-CE2 3.49Å; R553-Y557 PolarHBondContact O-N 3.29Å; V554-Y557 PolarHBondContact O-N 3.11Å; V554-Y557 VanDerWaalsContact O-N 3.14Å; L555-Y557 PolarHBondContact O-N 3.46Å; L555-Y557 VanDerWaalsContact O-N 3.13Å; Y557-L561 WeakPolarHBondContact O-CG 3.47Å
558L91.9Very high89.1Confident10 Ų1046.2 Ų46.25%0.05223%0.227CC..Hα-helixtrans-73.1-43.1-176.8-74-178.4000113.1V554 L555 L561 V571 I574V554-L558 HydrophobicContact CG1-CD1 3.49Å; V554-L558 VanDerWaalsContact CG1-CD1 3.49Å; V554-L558 HydrophobicContact CG1-CG 3.97Å; V554-L558 WeakPolarHBondContact O-CB 3.11Å; V554-L558 WeakPolarHBondContact O-CG 3.37Å; V554-L558 PolarHBondContact O-N 3.28Å; L555-L558 PolarHBondContact O-N 2.96Å; L558-L561 HydrophobicContact CD2-CD1 4.11Å; L558-L561 VanDerWaalsContact O-CB 3.23Å; L558-L561 WeakPolarHBondContact O-CB 3.43Å; L558-L561 WeakPolarHBondContact O-CG 3.46Å; L558-L561 PolarHBondContact O-N 3.43Å; L558-V571 HydrophobicContact CB-CG1 4.46Å; L558-I574 HydrophobicContact CD1-CG2 3.7Å; L558-I574 HydrophobicContact CD2-CD1 4.07Å
559L93.7Very high89.2Confident8 Ų847.3 Ų47.34%0.04223%0.233CC..G310 helixtrans-66.2-38.4-174.1-63.6177.2000113.1L555 L561 Y562 L575 L595 F596 A599 M622L555-L559 HydrophobicContact CB-CD1 4.05Å; L555-L559 HydrophobicContact CB-CG 4.27Å; L555-L559 HydrophobicContact CD2-CD1 4.3Å; L555-L559 HydrophobicContact CD2-CD2 4.31Å; L555-L559 HydrophobicContact CD2-CG 4.14Å; L555-L559 WeakPolarHBondContact O-CB 3.47Å; L555-L559 WeakPolarHBondContact O-CG 3.4Å; L555-L559 PolarHBondContact O-N 2.92Å; L559-L561 PolarHBondContact O-N 3.16Å; L559-Y562 HydrophobicContact CD2-CD2 4.44Å; L559-Y562 HydrophobicContact CD2-CE2 4.08Å; L559-Y562 WeakPolarHBondContact O-CD2 3.49Å; L559-Y562 PolarHBondContact O-N 2.75Å; L559-L575 HydrophobicContact CD2-CD1 4.16Å; L559-L595 HydrophobicContact CD1-CB 3.92Å; L559-F596 HydrophobicContact CD2-CD1 4.45Å; L559-F596 HydrophobicContact CD2-CE1 4.33Å; L559-A599 HydrophobicContact CB-CB 3.98Å; L559-A599 HydrophobicContact CD1-CB 3.99Å; L559-A599 HydrophobicContact CD2-CB 4.2Å; L559-A599 HydrophobicContact CG-CB 4.29Å; L559-M622 HydrophobicContact CD2-CG 4.45Å; L559-M622 HydrophobicContact CD2-SD 3.98Å
560P90.5Very high89.4Confident64 Ų6442.1 Ų42.142%0.41621%0.212SC..G310 helixtrans-61.5-20.1171.5-26.636.8000114.2E556 Y562 F563E556-P560 WeakPolarHBondContact O-CD 3.47Å; E556-P560 VanDerWaalsContact O-CG 3.27Å; E556-P560 WeakPolarHBondContact O-CG 3.23Å; P560-Y562 PolarHBondContact O-N 2.71Å; P560-F563 WeakPolarHBondContact O-CB 3.05Å; P560-F563 WeakPolarHBondContact O-CD2 3.28Å; P560-F563 PolarHBondContact O-N 3.4Å
561L90Very high89.6Confident8 Ų840.8 Ų40.84%0.04221%0.205CC..G310 helixtrans-64.5-26.8178.5-56.7-176.5000111.9W515 A519 Y557 L558 L559 F563 I564 T567 V571W515-L561 HydrophobicContact CB-CD2 3.47Å; W515-L561 VanDerWaalsContact CB-CD2 3.47Å; W515-L561 HydrophobicContact CD2-CD2 4.37Å; W515-L561 HydrophobicContact CG-CD2 3.9Å; A519-L561 HydrophobicContact CB-CD1 3.91Å; Y557-L561 WeakPolarHBondContact O-CG 3.47Å; L558-L561 HydrophobicContact CD2-CD1 4.11Å; L558-L561 VanDerWaalsContact O-CB 3.23Å; L558-L561 WeakPolarHBondContact O-CB 3.43Å; L558-L561 WeakPolarHBondContact O-CG 3.46Å; L558-L561 PolarHBondContact O-N 3.43Å; L559-L561 PolarHBondContact O-N 3.16Å; L561-F563 PolarHBondContact O-N 3.33Å; L561-I564 HydrophobicContact CD2-CD1 3.69Å; L561-I564 WeakPolarHBondContact O-CA 3.5Å; L561-I564 WeakPolarHBondContact O-CB 3.49Å; L561-I564 PolarHBondContact O-N 2.68Å; L561-T567 PolarHBondContact O-OG1 3.19Å; L561-V571 HydrophobicContact CB-CG2 3.66Å; L561-V571 HydrophobicContact CD1-CG2 4.33Å
562Y89.6Confident89.7Confident2 Ų240.7 Ų40.71%0.00821%0.205CC..G310 helixtrans-55.3-15.7170.2-75.5-66.4000113.8L559 P560 E568 V571 S572 L575 V603 K606 A618 M622L559-Y562 HydrophobicContact CD2-CD2 4.44Å; L559-Y562 HydrophobicContact CD2-CE2 4.08Å; L559-Y562 WeakPolarHBondContact O-CD2 3.49Å; L559-Y562 PolarHBondContact O-N 2.75Å; P560-Y562 PolarHBondContact O-N 2.71Å; Y562-E568 HydrophobicContact CD1-CB 4.33Å; Y562-E568 HydrophobicContact CD1-CG 4.34Å; Y562-E568 HydrophobicContact CE1-CB 4.49Å; Y562-V571 HydrophobicContact CD1-CB 4.41Å; Y562-V571 HydrophobicContact CD2-CG1 3.93Å; Y562-V571 HydrophobicContact CE1-CB 3.93Å; Y562-V571 HydrophobicContact CE1-CG1 4.13Å; Y562-V571 HydrophobicContact CE2-CB 4.09Å; Y562-V571 HydrophobicContact CE2-CG1 3.36Å; Y562-V571 VanDerWaalsContact CZ-CG1 3.47Å; Y562-S572 WeakPolarHBondContact OH-CA 3.39Å; Y562-S572 PolarHBondContact OH-N 3.39Å; Y562-S572 PolarHBondContact OH-OG 2.92Å; Y562-L575 HydrophobicContact CE2-CD1 4.32Å; Y562-V603 HydrophobicContact CD1-CG2 4.49Å; Y562-V603 HydrophobicContact CG-CG2 4.08Å; Y562-K606 PolarHBondContact O-NZ 2.97Å; Y562-A618 HydrophobicContact CD1-CB 3.94Å; Y562-A618 HydrophobicContact CE1-CB 3.36Å; Y562-M622 HydrophobicContact CD2-CE 4.46Å; Y562-M622 HydrophobicContact CD2-SD 4.07Å; Y562-M622 HydrophobicContact CE2-CE 4.2Å; Y562-M622 HydrophobicContact CE2-CG 4.07Å; Y562-M622 HydrophobicContact CE2-SD 3.62Å
563F84Confident89.8Confident107 Ų10741.2 Ų41.247%0.46921%0.21SC..G310 helixtrans-77.8-21.9172-73.2-84.4000114.2P560 L561 N602 K606P560-F563 WeakPolarHBondContact O-CB 3.05Å; P560-F563 WeakPolarHBondContact O-CD2 3.28Å; P560-F563 PolarHBondContact O-N 3.4Å; L561-F563 PolarHBondContact O-N 3.33Å; F563-N602 HydrophobicContact CE1-CB 4.4Å; F563-N602 HydrophobicContact CE2-CB 4.07Å; F563-N602 HydrophobicContact CZ-CB 3.52Å; F563-K606 VanDerWaalsContact CA-NZ 3.29Å; F563-K606 PolarHBondContact O-NZ 2.88Å
564I85Confident90.1Very high63 Ų6336.1 Ų36.132%0.32319%0.191SC..SBendtrans-85.6129.9-179.8-53.8178.7000109W515 L561 T567W515-I564 HydrophobicContact CB-CD1 4.32Å; L561-I564 HydrophobicContact CD2-CD1 3.69Å; L561-I564 WeakPolarHBondContact O-CA 3.5Å; L561-I564 WeakPolarHBondContact O-CB 3.49Å; L561-I564 PolarHBondContact O-N 2.68Å; I564-T567 HydrophobicContact CB-CG2 3.92Å; I564-T567 HydrophobicContact CG2-CG2 3.83Å; I564-T567 PolarHBondContact O-OG1 3.03Å
565P79.8Confident90.2Very high91 Ų9135.9 Ų35.959%0.59119%0.19SC*.THydrogen-bonded Turntrans-60.6146.4179.324.8-33.7000112.2T567P565-T567 VanDerWaalsContact C-N 3.3Å; P565-T567 PolarHBondContact O-N 2.94Å
566D82.4Confident90Very high121 Ų12138.1 Ų38.165%0.64721%0.213SC*.THydrogen-bonded Turntrans61.332177.7-51.4-42.9000114.1K516 E568K516-D566 WeakPolarHBondContact CE-O 3.35Å; K516-D566 PolarHBondContact NZ-O 2.98Å; D566-E568 WeakPolarHBondContact CA-OE2 3.33Å; D566-E568 PolarHBondContact N-OE2 2.95Å; D566-E568 VanDerWaalsContact N-OE2 3.16Å
567T88.8Confident90Very high1 Ų136.1 Ų36.11%0.00621%0.205CC..  trans-120.7-8.2175.665.70000113.1K516 L561 I564 P565 D569 V570 V571K516-T567 HydrophobicContact CB-CG2 3.87Å; K516-T567 HydrophobicContact CD-CG2 3.96Å; K516-T567 HydrophobicContact CG-CG2 3.93Å; L561-T567 PolarHBondContact O-OG1 3.19Å; I564-T567 HydrophobicContact CB-CG2 3.92Å; I564-T567 HydrophobicContact CG2-CG2 3.83Å; I564-T567 PolarHBondContact O-OG1 3.03Å; P565-T567 VanDerWaalsContact C-N 3.3Å; P565-T567 PolarHBondContact O-N 2.94Å; T567-D569 VanDerWaalsContact C-N 3.33Å; T567-D569 PolarHBondContact O-N 3.4Å; T567-V570 PolarHBondContact O-N 3.39Å; T567-V570 VanDerWaalsContact O-N 3.08Å; T567-V571 WeakPolarHBondContact O-CG2 3.48Å; T567-V571 PolarHBondContact O-N 3.14Å
568E89.2Confident90Very high15 Ų1534.8 Ų34.87%0.0720%0.201CC..Hα-helixtrans-56.7-47.1-174.2-62.982175.200111.2Y562 D566 S572 N614 L615Y562-E568 HydrophobicContact CD1-CB 4.33Å; Y562-E568 HydrophobicContact CD1-CG 4.34Å; Y562-E568 HydrophobicContact CE1-CB 4.49Å; D566-E568 WeakPolarHBondContact CA-OE2 3.33Å; D566-E568 PolarHBondContact N-OE2 2.95Å; D566-E568 VanDerWaalsContact N-OE2 3.16Å; E568-S572 WeakPolarHBondContact O-CB 3.36Å; E568-S572 PolarHBondContact O-N 3.45Å; E568-S572 PolarHBondContact O-OG 3.22Å; E568-N614 HydrophobicContact CB-CB 4.23Å; E568-L615 HydrophobicContact CG-CD2 3.84Å
569D91.2Very high89.7Confident67 Ų6735.8 Ų35.836%0.35821%0.214SC..Hα-helixtrans-68.8-36.6179.3-66.6-30.7000111.7T567 N573 N614T567-D569 VanDerWaalsContact C-N 3.33Å; T567-D569 PolarHBondContact O-N 3.4Å; D569-N573 WeakPolarHBondContact O-CB 3.35Å; D569-N573 PolarHBondContact O-N 3.35Å; D569-N573 PolarHBondContact O-ND2 2.97Å; D569-N614 VanDerWaalsContact OD1-CG 3.31Å; D569-N614 PolarHBondContact OD1-ND2 2.85Å; D569-N614 PolarHBondContact OD2-ND2 3.21Å
570V93.1Very high89.4Confident19 Ų1937.2 Ų37.212%0.11522%0.223CC..Hα-helixtrans-66.1-51.9179.7179.80000109.9A519 E520 L523 T567 S572 N573 I574A519-V570 HydrophobicContact CB-CG1 3.86Å; E520-V570 HydrophobicContact CG-CG1 4.04Å; E520-V570 HydrophobicContact CG-CG2 3.93Å; L523-V570 HydrophobicContact CD2-CG1 4.21Å; T567-V570 PolarHBondContact O-N 3.39Å; T567-V570 VanDerWaalsContact O-N 3.08Å; V570-S572 VanDerWaalsContact C-N 3.34Å; V570-S572 PolarHBondContact O-N 2.86Å; V570-N573 PolarHBondContact O-N 3.13Å; V570-I574 HydrophobicContact CG1-CD1 4.1Å; V570-I574 VanDerWaalsContact O-CG1 3.3Å; V570-I574 WeakPolarHBondContact O-CG1 3.44Å; V570-I574 PolarHBondContact O-N 3.28Å
571V94.6Very high89.4Confident0 Ų034.5 Ų34.50%021%0.205CC..Hα-helixtrans-63.7-42.4179.8-176.90000110.9L558 L561 Y562 T567 N573 I574 L575L558-V571 HydrophobicContact CB-CG1 4.46Å; L561-V571 HydrophobicContact CB-CG2 3.66Å; L561-V571 HydrophobicContact CD1-CG2 4.33Å; Y562-V571 HydrophobicContact CD1-CB 4.41Å; Y562-V571 HydrophobicContact CD2-CG1 3.93Å; Y562-V571 HydrophobicContact CE1-CB 3.93Å; Y562-V571 HydrophobicContact CE1-CG1 4.13Å; Y562-V571 HydrophobicContact CE2-CB 4.09Å; Y562-V571 HydrophobicContact CE2-CG1 3.36Å; Y562-V571 VanDerWaalsContact CZ-CG1 3.47Å; T567-V571 WeakPolarHBondContact O-CG2 3.48Å; T567-V571 PolarHBondContact O-N 3.14Å; V571-N573 VanDerWaalsContact C-N 3.34Å; V571-N573 PolarHBondContact O-N 3.2Å; V571-I574 PolarHBondContact O-N 3.02Å; V571-L575 HydrophobicContact CG1-CD1 4.4Å; V571-L575 WeakPolarHBondContact O-CG 3.42Å; V571-L575 PolarHBondContact O-N 3.47Å
572S94Very high89.1Confident0 Ų036.7 Ų36.70%023%0.229CC..Hα-helixtrans-57.3-47.1175-68.90000111.8Y562 E568 V570 I574 L575 G576Y562-S572 WeakPolarHBondContact OH-CA 3.39Å; Y562-S572 PolarHBondContact OH-N 3.39Å; Y562-S572 PolarHBondContact OH-OG 2.92Å; E568-S572 WeakPolarHBondContact O-CB 3.36Å; E568-S572 PolarHBondContact O-N 3.45Å; E568-S572 PolarHBondContact O-OG 3.22Å; V570-S572 VanDerWaalsContact C-N 3.34Å; V570-S572 PolarHBondContact O-N 2.86Å; S572-I574 PolarHBondContact O-N 3.34Å; S572-L575 PolarHBondContact O-N 3.3Å; S572-G576 PolarHBondContact O-N 3.5Å
573N94.3Very high88.9Confident70 Ų7042.9 Ų42.937%0.37426%0.258SS..Hα-helixtrans-67-35.1177.8-74-37.9000112.2L523 D569 V570 V571 T577L523-N573 HydrophobicContact CD1-CB 3.78Å; L523-N573 HydrophobicContact CD2-CB 3.68Å; L523-N573 HydrophobicContact CG-CB 4.41Å; D569-N573 WeakPolarHBondContact O-CB 3.35Å; D569-N573 PolarHBondContact O-N 3.35Å; D569-N573 PolarHBondContact O-ND2 2.97Å; V570-N573 PolarHBondContact O-N 3.13Å; V571-N573 VanDerWaalsContact C-N 3.34Å; V571-N573 PolarHBondContact O-N 3.2Å; N573-T577 WeakPolarHBondContact O-CB 3.27Å; N573-T577 PolarHBondContact O-N 3.2Å; N573-T577 PolarHBondContact O-OG1 2.73Å
574I95Very high89Confident0 Ų039.7 Ų39.70%025%0.245CC..Hα-helixtrans-62.8-51.2174.4-68166.5000109.9A519 I522 L523 L526 L558 V570 V571 S572 G576 T577 L578A519-I574 HydrophobicContact CB-CD1 3.89Å; A519-I574 WeakPolarHBondContact O-CD1 3.46Å; I522-I574 HydrophobicContact CG2-CD1 4.47Å; L523-I574 HydrophobicContact CB-CD1 4.33Å; L523-I574 HydrophobicContact CB-CG1 3.73Å; L523-I574 HydrophobicContact CD1-CG1 4Å; L523-I574 HydrophobicContact CG-CG1 4.34Å; L526-I574 HydrophobicContact CD1-CG2 4.02Å; L558-I574 HydrophobicContact CD1-CG2 3.7Å; L558-I574 HydrophobicContact CD2-CD1 4.07Å; V570-I574 HydrophobicContact CG1-CD1 4.1Å; V570-I574 VanDerWaalsContact O-CG1 3.3Å; V570-I574 WeakPolarHBondContact O-CG1 3.44Å; V570-I574 PolarHBondContact O-N 3.28Å; V571-I574 PolarHBondContact O-N 3.02Å; S572-I574 PolarHBondContact O-N 3.34Å; I574-G576 VanDerWaalsContact C-N 3.35Å; I574-G576 PolarHBondContact O-N 3.35Å; I574-T577 PolarHBondContact O-N 3.32Å; I574-T577 VanDerWaalsContact O-N 3.11Å; I574-L578 VanDerWaalsContact O-CB 3.26Å; I574-L578 WeakPolarHBondContact O-CB 3.5Å; I574-L578 PolarHBondContact O-N 3.24Å
575L93.6Very high89.2Confident1 Ų143.4 Ų43.41%0.00526%0.261CS..Hα-helixtrans-60-44.9179.5-69.2175.7000111.7L555 L559 Y562 V571 S572 T577 G579 F596 I621 M622L555-L575 HydrophobicContact CD2-CD2 3.66Å; L559-L575 HydrophobicContact CD2-CD1 4.16Å; Y562-L575 HydrophobicContact CE2-CD1 4.32Å; V571-L575 HydrophobicContact CG1-CD1 4.4Å; V571-L575 WeakPolarHBondContact O-CG 3.42Å; V571-L575 PolarHBondContact O-N 3.47Å; S572-L575 PolarHBondContact O-N 3.3Å; L575-T577 VanDerWaalsContact C-N 3.27Å; L575-T577 PolarHBondContact O-N 3.19Å; L575-G579 PolarHBondContact O-N 3Å; L575-F596 HydrophobicContact CD1-CE1 4.33Å; L575-F596 HydrophobicContact CD2-CE1 4.46Å; L575-F596 HydrophobicContact CD2-CZ 4.43Å; L575-I621 HydrophobicContact CB-CG2 4.02Å; L575-M622 HydrophobicContact CD1-CG 3.99Å
576G89.8Confident89.5Confident48 Ų4842.8 Ų42.850%0.49526%0.257SS..Hα-helixtrans-65.7-28.9176.400000113.5S572 I574S572-G576 PolarHBondContact O-N 3.5Å; I574-G576 VanDerWaalsContact C-N 3.35Å; I574-G576 PolarHBondContact O-N 3.35Å
577T90.6Very high89.8Confident23 Ų2339.2 Ų39.214%0.14125%0.249CC..Hα-helixtrans-83.5-42.7179.5-55.20000111.8L526 K530 N573 I574 L575 G579L526-T577 HydrophobicContact CB-CG2 3.82Å; K530-T577 HydrophobicContact CD-CG2 3.79Å; K530-T577 VanDerWaalsContact CE-CG2 3.48Å; K530-T577 WeakPolarHBondContact CE-O 3.43Å; K530-T577 HydrophobicContact CG-CG2 4.35Å; K530-T577 PolarHBondContact NZ-O 3.31Å; N573-T577 WeakPolarHBondContact O-CB 3.27Å; N573-T577 PolarHBondContact O-N 3.2Å; N573-T577 PolarHBondContact O-OG1 2.73Å; I574-T577 PolarHBondContact O-N 3.32Å; I574-T577 VanDerWaalsContact O-N 3.11Å; L575-T577 VanDerWaalsContact C-N 3.27Å; L575-T577 PolarHBondContact O-N 3.19Å; T577-G579 PolarHBondContact O-N 3.12Å
578L89.4Confident89.8Confident12 Ų1243.4 Ų43.46%0.06327%0.268CS..Hα-helixtrans-67-34.4-176.3-176.561.2000112.8L526 L547 L548 Y551 I574L526-L578 HydrophobicContact CD1-CB 4.43Å; L526-L578 HydrophobicContact CD2-CD1 4.27Å; L547-L578 HydrophobicContact CB-CD1 3.67Å; L547-L578 HydrophobicContact CB-CD2 4.12Å; L547-L578 HydrophobicContact CD1-CD1 4.04Å; L548-L578 HydrophobicContact CD2-CD1 4.1Å; L548-L578 HydrophobicContact CD2-CG 3.93Å; L548-L578 HydrophobicContact CG-CD1 3.9Å; L548-L578 HydrophobicContact CG-CG 4.3Å; Y551-L578 HydrophobicContact CD2-CD2 4.01Å; Y551-L578 HydrophobicContact CE2-CD2 3.85Å; Y551-L578 HydrophobicContact CE2-CG 4.45Å; I574-L578 VanDerWaalsContact O-CB 3.26Å; I574-L578 WeakPolarHBondContact O-CB 3.5Å; I574-L578 PolarHBondContact O-N 3.24Å
579G84.9Confident89.9Confident31 Ų3142.7 Ų42.732%0.3227%0.265SS..  trans76-160-17500000112.7L575 T577L575-G579 PolarHBondContact O-N 3Å; T577-G579 PolarHBondContact O-N 3.12Å
580V88.4Confident90Very high39 Ų3941.5 Ų41.524%0.23626%0.26CS..  trans-111.5145.2-178.4-670000110.9C625 A628 L629V580-C625 WeakPolarHBondContact CG1-O 3.1Å; V580-A628 HydrophobicContact CG1-CB 4.08Å; V580-A628 HydrophobicContact CG2-CB 4.48Å; V580-L629 HydrophobicContact CB-CB 4.39Å; V580-L629 HydrophobicContact CG1-CB 4.01Å
581P89Confident90.1Very high6 Ų644.7 Ų44.74%0.03927%0.274CS..  trans-72.4162.1175.134.7-39.6000111.1L548 Y551 Q584 L629L548-P581 HydrophobicContact CD2-CB 4.21Å; Y551-P581 HydrophobicContact CD1-CG 3.58Å; Y551-P581 HydrophobicContact CD2-CG 4.42Å; Y551-P581 HydrophobicContact CE1-CG 3.97Å; Y551-P581 HydrophobicContact CG-CB 4.4Å; Y551-P581 HydrophobicContact CG-CG 3.82Å; P581-Q584 HydrophobicContact CG-CG 4.3Å; P581-L629 HydrophobicContact CG-CD1 3.75Å
582G84.9Confident90.1Very high54 Ų5444.7 Ų44.756%0.55727%0.274SS*.SBendtrans-69.6-155.9175.300000113.8Q584 Q633G582-Q584 WeakPolarHBondContact O-CG 3.44Å; G582-Q584 PolarHBondContact O-N 2.78Å; G582-Q584 PolarHBondContact O-NE2 2.97Å; G582-Q633 PolarHBondContact O-NE2 3.4Å
583Q85.9Confident90.2Very high132 Ų13244.7 Ų44.762%0.61727%0.274SS*.SBendtrans-53.1125-178.5-66-60.3-37.900112.1D632Q583-D632 PolarHBondContact NE2-O 3.12Å
584Q85.5Confident90.2Very high40 Ų4046.6 Ų46.619%0.18728%0.279CS..  trans-106.4153.5-178.7-63.1-55.7-70.800110.9P581 G582 L589 I592 L629P581-Q584 HydrophobicContact CG-CG 4.3Å; G582-Q584 WeakPolarHBondContact O-CG 3.44Å; G582-Q584 PolarHBondContact O-N 2.78Å; G582-Q584 PolarHBondContact O-NE2 2.97Å; Q584-L589 HydrophobicContact CB-CB 4.13Å; Q584-I592 HydrophobicContact CG-CD1 4.44Å; Q584-L629 HydrophobicContact CG-CD1 4.43Å
585Q88.5Confident90.3Very high141 Ų14148.9 Ų48.966%0.65929%0.291SS*.  trans-67.2143168.3-66.1-163.94.600110.2G587 E588 L589Q585-G587 PolarHBondContact O-N 2.9Å; Q585-G587 VanDerWaalsContact O-N 3.14Å; Q585-E588 HydrophobicContact CB-CG 4.46Å; Q585-E588 PolarHBondContact O-N 2.9Å; Q585-L589 PolarHBondContact O-N 3.38Å
586P86.2Confident90.4Very high78 Ų7848.9 Ų48.951%0.50629%0.291SS..Hα-helixtrans-56.4-37.6-174.817.9-30.7000113.2V590 Y636P586-V590 VanDerWaalsContact O-CG2 3.22Å; P586-V590 WeakPolarHBondContact O-CG2 3.34Å; P586-V590 PolarHBondContact O-N 3.28Å; P586-V590 VanDerWaalsContact O-N 3.14Å; P586-Y636 WeakPolarHBondContact CA-OH 3.26Å; P586-Y636 HydrophobicContact CB-CE2 4.01Å; P586-Y636 WeakPolarHBondContact CB-OH 3.4Å
587G88.5Confident90.7Very high47 Ų4746.6 Ų46.649%0.48527%0.267SS..Hα-helixtrans-66.5-38.6177.200000113.7Q585 Q591Q585-G587 PolarHBondContact O-N 2.9Å; Q585-G587 VanDerWaalsContact O-N 3.14Å; G587-Q591 WeakPolarHBondContact O-CG 3.39Å; G587-Q591 PolarHBondContact O-N 3.25Å
588E89.1Confident91Very high88 Ų8846.5 Ų46.541%0.41127%0.269SS..Hα-helixtrans-73.4-41.4177.5-66.7-171.9150.600111.2Q585 V590 Q591 I592Q585-E588 HydrophobicContact CB-CG 4.46Å; Q585-E588 PolarHBondContact O-N 2.9Å; E588-V590 VanDerWaalsContact C-N 3.35Å; E588-V590 PolarHBondContact O-N 3.4Å; E588-Q591 WeakPolarHBondContact O-CB 3.38Å; E588-Q591 PolarHBondContact O-N 3.48Å; E588-Q591 VanDerWaalsContact O-N 3.07Å; E588-I592 WeakPolarHBondContact O-CG1 3.33Å; E588-I592 PolarHBondContact O-N 2.84Å
589L92.1Very high91.2Very high0 Ų046.4 Ų46.40%027%0.27CS..Hα-helixtrans-56.8-47.3176.7-177.363000111.6Q584 Q585 Q591 I592 V593 L629 Q633 Y636 A637Q584-L589 HydrophobicContact CB-CB 4.13Å; Q585-L589 PolarHBondContact O-N 3.38Å; L589-Q591 VanDerWaalsContact C-N 3.26Å; L589-Q591 PolarHBondContact O-N 2.88Å; L589-I592 PolarHBondContact O-N 3.38Å; L589-V593 HydrophobicContact CD1-CG2 4.37Å; L589-V593 WeakPolarHBondContact O-CB 3.48Å; L589-V593 VanDerWaalsContact O-CG2 3.29Å; L589-V593 WeakPolarHBondContact O-CG2 3.49Å; L589-V593 PolarHBondContact O-N 2.96Å; L589-L629 HydrophobicContact CD1-CD1 4.35Å; L589-L629 HydrophobicContact CD1-CD2 3.93Å; L589-L629 HydrophobicContact CD1-CG 3.95Å; L589-Q633 HydrophobicContact CD1-CG 4.14Å; L589-Q633 HydrophobicContact CD2-CB 4.17Å; L589-Q633 HydrophobicContact CD2-CG 4Å; L589-Y636 HydrophobicContact CD2-CE2 3.92Å; L589-A637 HydrophobicContact CD2-CB 3.58Å
590V93.2Very high91.7Very high42 Ų4244.9 Ų44.926%0.25526%0.255SS..Hα-helixtrans-58.6-39.4176.8172.20000111.4P586 E588 K594 V640P586-V590 VanDerWaalsContact O-CG2 3.22Å; P586-V590 WeakPolarHBondContact O-CG2 3.34Å; P586-V590 PolarHBondContact O-N 3.28Å; P586-V590 VanDerWaalsContact O-N 3.14Å; E588-V590 VanDerWaalsContact C-N 3.35Å; E588-V590 PolarHBondContact O-N 3.4Å; V590-K594 HydrophobicContact CG1-CD 4.3Å; V590-K594 WeakPolarHBondContact O-CB 3.43Å; V590-K594 VanDerWaalsContact O-CG 3.28Å; V590-K594 WeakPolarHBondContact O-CG 3.47Å; V590-K594 PolarHBondContact O-N 3.46Å; V590-V640 HydrophobicContact CB-CG1 4.26Å; V590-V640 HydrophobicContact CG1-CG1 4.42Å; V590-V640 HydrophobicContact CG2-CG1 3.72Å; V590-V640 HydrophobicContact CG2-CG2 4.07Å
591Q94.4Very high92Very high87 Ų8743.1 Ų43.141%0.40724%0.243SC..Hα-helixtrans-71-42.6179.3-68.6173.112.100111.8K552 G587 E588 L589 K594 L595K552-Q591 HydrophobicContact CD-CB 4.43Å; G587-Q591 WeakPolarHBondContact O-CG 3.39Å; G587-Q591 PolarHBondContact O-N 3.25Å; E588-Q591 WeakPolarHBondContact O-CB 3.38Å; E588-Q591 PolarHBondContact O-N 3.48Å; E588-Q591 VanDerWaalsContact O-N 3.07Å; L589-Q591 VanDerWaalsContact C-N 3.26Å; L589-Q591 PolarHBondContact O-N 2.88Å; Q591-K594 PolarHBondContact O-N 2.99Å; Q591-L595 WeakPolarHBondContact O-CG 3.48Å; Q591-L595 PolarHBondContact O-N 2.87Å
592I94.8Very high92.1Very high0 Ų044.9 Ų44.90%025%0.253CS..Hα-helixtrans-60.7-46.5175.8-66.9162.5000110.4Y551 K552 L555 Q584 E588 L589 K594 L595 F596 L629Y551-I592 HydrophobicContact CD1-CD1 4.22Å; Y551-I592 HydrophobicContact CD1-CG2 4.28Å; Y551-I592 HydrophobicContact CE1-CG2 4.09Å; K552-I592 HydrophobicContact CB-CD1 4.19Å; K552-I592 HydrophobicContact CB-CG1 3.81Å; K552-I592 HydrophobicContact CG-CG1 4.07Å; L555-I592 HydrophobicContact CD1-CG2 3.7Å; Q584-I592 HydrophobicContact CG-CD1 4.44Å; E588-I592 WeakPolarHBondContact O-CG1 3.33Å; E588-I592 PolarHBondContact O-N 2.84Å; L589-I592 PolarHBondContact O-N 3.38Å; I592-K594 VanDerWaalsContact C-N 3.33Å; I592-K594 PolarHBondContact O-N 3.28Å; I592-L595 WeakPolarHBondContact O-CB 3.37Å; I592-L595 PolarHBondContact O-N 3.5Å; I592-F596 HydrophobicContact CG2-CD2 3.84Å; I592-F596 HydrophobicContact CG2-CE2 3.81Å; I592-F596 WeakPolarHBondContact O-CD2 3.25Å; I592-F596 PolarHBondContact O-N 3.43Å; I592-L629 HydrophobicContact CB-CD2 4.28Å; I592-L629 HydrophobicContact CG2-CD2 3.38Å
593V96Very high92.4Very high0 Ų042.5 Ų42.50%023%0.227CC..Hα-helixtrans-58-46.2175.8165.80000110.9L589 L595 F596 V597 V626 V630 V640 L641 C644L589-V593 HydrophobicContact CD1-CG2 4.37Å; L589-V593 WeakPolarHBondContact O-CB 3.48Å; L589-V593 VanDerWaalsContact O-CG2 3.29Å; L589-V593 WeakPolarHBondContact O-CG2 3.49Å; L589-V593 PolarHBondContact O-N 2.96Å; V593-L595 VanDerWaalsContact C-N 3.33Å; V593-L595 PolarHBondContact O-N 3.17Å; V593-F596 PolarHBondContact O-N 3.45Å; V593-V597 HydrophobicContact CG1-CG2 4.33Å; V593-V597 WeakPolarHBondContact O-CG2 3.44Å; V593-V597 PolarHBondContact O-N 3.41Å; V593-V626 HydrophobicContact CG2-CG2 4.24Å; V593-V630 HydrophobicContact CG2-CG2 3.88Å; V593-V640 HydrophobicContact CB-CG1 4.39Å; V593-V640 HydrophobicContact CG1-CG1 4.19Å; V593-L641 HydrophobicContact CG1-CB 4.05Å; V593-L641 HydrophobicContact CG1-CD1 3.79Å; V593-C644 HydrophobicContact CG1-CB 4.05Å
594K95.6Very high92.6Very high109 Ų10936.2 Ų36.247%0.47420%0.198SC..Hα-helixtrans-60.9-40.3176.6-77.2177.5179.3-173.80112.6V590 Q591 I592 A598V590-K594 HydrophobicContact CG1-CD 4.3Å; V590-K594 WeakPolarHBondContact O-CB 3.43Å; V590-K594 VanDerWaalsContact O-CG 3.28Å; V590-K594 WeakPolarHBondContact O-CG 3.47Å; V590-K594 PolarHBondContact O-N 3.46Å; Q591-K594 PolarHBondContact O-N 2.99Å; I592-K594 VanDerWaalsContact C-N 3.33Å; I592-K594 PolarHBondContact O-N 3.28Å; K594-A598 WeakPolarHBondContact O-CB 3.25Å; K594-A598 PolarHBondContact O-N 3.13Å
595L96.3Very high92.8Very high49 Ų4938.4 Ų38.426%0.25721%0.205SC..Hα-helixtrans-61.9-47.7176.7-73.4170.6000111.3K552 L555 E556 L559 Q591 I592 V593 A599K552-L595 HydrophobicContact CG-CD1 4.26Å; L555-L595 HydrophobicContact CB-CD1 4.34Å; E556-L595 HydrophobicContact CG-CD1 3.73Å; E556-L595 HydrophobicContact CG-CD2 4.24Å; L559-L595 HydrophobicContact CD1-CB 3.92Å; Q591-L595 WeakPolarHBondContact O-CG 3.48Å; Q591-L595 PolarHBondContact O-N 2.87Å; I592-L595 WeakPolarHBondContact O-CB 3.37Å; I592-L595 PolarHBondContact O-N 3.5Å; V593-L595 VanDerWaalsContact C-N 3.33Å; V593-L595 PolarHBondContact O-N 3.17Å; L595-A599 VanDerWaalsContact O-CB 3.28Å; L595-A599 WeakPolarHBondContact O-CB 3.4Å; L595-A599 PolarHBondContact O-N 3.03Å
596F96.1Very high92.7Very high0 Ų034.5 Ų34.50%019%0.185CC..Hα-helixtrans-61.5-50176.2-86.5-67.6000112.3Y551 L555 L559 L575 I592 V593 A598 A599 I600 M622 C625 V626Y551-F596 HydrophobicContact CE1-CE2 4.11Å; Y551-F596 HydrophobicContact CE1-CZ 4.48Å; L555-F596 HydrophobicContact CD1-CD2 4.13Å; L555-F596 HydrophobicContact CD1-CE2 3.46Å; L555-F596 VanDerWaalsContact CD1-CE2 3.46Å; L555-F596 HydrophobicContact CD1-CZ 3.84Å; L555-F596 HydrophobicContact CD2-CE1 4.37Å; L555-F596 HydrophobicContact CD2-CE2 4.32Å; L555-F596 HydrophobicContact CD2-CZ 3.82Å; L559-F596 HydrophobicContact CD2-CD1 4.45Å; L559-F596 HydrophobicContact CD2-CE1 4.33Å; L575-F596 HydrophobicContact CD1-CE1 4.33Å; L575-F596 HydrophobicContact CD2-CE1 4.46Å; L575-F596 HydrophobicContact CD2-CZ 4.43Å; I592-F596 HydrophobicContact CG2-CD2 3.84Å; I592-F596 HydrophobicContact CG2-CE2 3.81Å; I592-F596 WeakPolarHBondContact O-CD2 3.25Å; I592-F596 PolarHBondContact O-N 3.43Å; V593-F596 PolarHBondContact O-N 3.45Å; F596-A598 PolarHBondContact O-N 2.74Å; F596-A599 PolarHBondContact O-N 2.88Å; F596-I600 WeakPolarHBondContact O-CB 3.46Å; F596-I600 WeakPolarHBondContact O-CD1 3Å; F596-I600 VanDerWaalsContact O-CG1 3.22Å; F596-I600 WeakPolarHBondContact O-CG1 3.42Å; F596-I600 PolarHBondContact O-N 3.2Å; F596-M622 HydrophobicContact CD1-CB 4.09Å; F596-M622 HydrophobicContact CD1-CG 4.27Å; F596-M622 HydrophobicContact CE1-CB 4.46Å; F596-M622 HydrophobicContact CE1-CG 4.43Å; F596-C625 HydrophobicContact CE1-CB 4.09Å; F596-C625 HydrophobicContact CZ-CB 4.06Å; F596-V626 HydrophobicContact CB-CB 3.84Å; F596-V626 HydrophobicContact CB-CG1 4.49Å; F596-V626 HydrophobicContact CB-CG2 3.72Å; F596-V626 HydrophobicContact CD1-CB 4.39Å; F596-V626 HydrophobicContact CD2-CB 4Å; F596-V626 HydrophobicContact CD2-CG2 3.91Å; F596-V626 HydrophobicContact CG-CB 3.84Å; F596-V626 HydrophobicContact CG-CG2 4Å
597V96.4Very high92.7Very high0 Ų030.9 Ų30.90%016%0.162CC..Hα-helixtrans-60.7-47.4-179.4173.40000110.4V593 A599 I600 F601 L641 C644 L645 Y648V593-V597 HydrophobicContact CG1-CG2 4.33Å; V593-V597 WeakPolarHBondContact O-CG2 3.44Å; V593-V597 PolarHBondContact O-N 3.41Å; V597-A599 VanDerWaalsContact C-N 3.32Å; V597-A599 PolarHBondContact O-N 2.87Å; V597-I600 PolarHBondContact O-N 3.35Å; V597-F601 HydrophobicContact CG1-CD2 3.94Å; V597-F601 HydrophobicContact CG1-CE2 4Å; V597-F601 VanDerWaalsContact O-CD2 3.27Å; V597-F601 WeakPolarHBondContact O-CD2 3.35Å; V597-F601 PolarHBondContact O-N 2.99Å; V597-L641 HydrophobicContact CG2-CD1 3.71Å; V597-C644 HydrophobicContact CG2-CB 4.1Å; V597-L645 HydrophobicContact CG1-CD2 4.25Å; V597-L645 HydrophobicContact CG2-CD2 3.91Å; V597-L645 HydrophobicContact CG2-CG 4.1Å; V597-Y648 HydrophobicContact CG1-CD1 4.48Å; V597-Y648 HydrophobicContact CG1-CD2 3.6Å; V597-Y648 HydrophobicContact CG1-CE2 4.15Å; V597-Y648 HydrophobicContact CG1-CG 3.79Å
598A95Very high92.3Very high21 Ų2134.4 Ų34.417%0.17417%0.17CC..Hα-helixtrans-58.6-44176.500000111.8K594 F596 F601 N602 Y648K594-A598 WeakPolarHBondContact O-CB 3.25Å; K594-A598 PolarHBondContact O-N 3.13Å; F596-A598 PolarHBondContact O-N 2.74Å; A598-F601 PolarHBondContact O-N 3.3Å; A598-N602 VanDerWaalsContact O-CB 3.24Å; A598-N602 WeakPolarHBondContact O-CB 3.42Å; A598-N602 PolarHBondContact O-N 2.92Å; A598-N602 PolarHBondContact O-ND2 2.77Å; A598-N602 VanDerWaalsContact O-ND2 3.11Å; A598-Y648 HydrophobicContact CB-CE1 4.23Å
599A94.9Very high91.5Very high10 Ų1036.9 Ų36.98%0.08319%0.186CC..Hα-helixtrans-64.1-4417800000112.6L559 L595 F596 V597 F601 N602 V603 M622L559-A599 HydrophobicContact CB-CB 3.98Å; L559-A599 HydrophobicContact CD1-CB 3.99Å; L559-A599 HydrophobicContact CD2-CB 4.2Å; L559-A599 HydrophobicContact CG-CB 4.29Å; L595-A599 VanDerWaalsContact O-CB 3.28Å; L595-A599 WeakPolarHBondContact O-CB 3.4Å; L595-A599 PolarHBondContact O-N 3.03Å; F596-A599 PolarHBondContact O-N 2.88Å; V597-A599 VanDerWaalsContact C-N 3.32Å; V597-A599 PolarHBondContact O-N 2.87Å; A599-F601 PolarHBondContact O-N 3.34Å; A599-N602 WeakPolarHBondContact O-CB 3.33Å; A599-N602 PolarHBondContact O-N 3.24Å; A599-V603 WeakPolarHBondContact O-CG2 3.38Å; A599-V603 PolarHBondContact O-N 3.22Å; A599-M622 HydrophobicContact CB-SD 3.69Å
600I95.2Very high90.6Very high0 Ų043 Ų430%022%0.218CC..Hα-helixtrans-58.8-48.3176.9-69.8161.8000110.6F596 V597 V603 M604 M622 V626 I721F596-I600 WeakPolarHBondContact O-CB 3.46Å; F596-I600 WeakPolarHBondContact O-CD1 3Å; F596-I600 VanDerWaalsContact O-CG1 3.22Å; F596-I600 WeakPolarHBondContact O-CG1 3.42Å; F596-I600 PolarHBondContact O-N 3.2Å; V597-I600 PolarHBondContact O-N 3.35Å; I600-V603 PolarHBondContact O-N 3.25Å; I600-M604 HydrophobicContact CG2-CE 3.94Å; I600-M604 WeakPolarHBondContact O-CG 3.48Å; I600-M604 PolarHBondContact O-N 2.99Å; I600-M622 HydrophobicContact CB-CE 4.46Å; I600-M622 HydrophobicContact CD1-CB 3.92Å; I600-M622 HydrophobicContact CG1-CB 3.54Å; I600-M622 HydrophobicContact CG1-CE 3.9Å; I600-M622 HydrophobicContact CG1-CG 4.44Å; I600-M622 HydrophobicContact CG1-SD 4.09Å; I600-V626 HydrophobicContact CD1-CG1 4.38Å; I600-I721 HydrophobicContact CD1-CD1 4.03Å; I600-I721 HydrophobicContact CG2-CD1 4.19Å
601F94.4Very high89.7Confident1 Ų142.5 Ų42.50%0.00422%0.215CC..Hα-helixtrans-67.1-36.9178.8-83.3-104.8000112.6V597 A598 A599 M604 R605 L645 Y648 A649 P655 L656 F718V597-F601 HydrophobicContact CG1-CD2 3.94Å; V597-F601 HydrophobicContact CG1-CE2 4Å; V597-F601 VanDerWaalsContact O-CD2 3.27Å; V597-F601 WeakPolarHBondContact O-CD2 3.35Å; V597-F601 PolarHBondContact O-N 2.99Å; A598-F601 PolarHBondContact O-N 3.3Å; A599-F601 PolarHBondContact O-N 3.34Å; F601-M604 HydrophobicContact CB-CE 4.25Å; F601-M604 HydrophobicContact CD1-CE 3.79Å; F601-M604 HydrophobicContact CD2-CE 3.73Å; F601-M604 HydrophobicContact CE1-CE 3.97Å; F601-M604 HydrophobicContact CE2-CE 3.96Å; F601-M604 HydrophobicContact CG-CE 3.66Å; F601-M604 HydrophobicContact CZ-CE 4.08Å; F601-M604 PolarHBondContact O-N 3.25Å; F601-R605 WeakPolarHBondContact O-CG 3.39Å; F601-R605 PolarHBondContact O-N 3.22Å; F601-R605 VanDerWaalsContact O-N 3.09Å; F601-L645 HydrophobicContact CE2-CD2 4.16Å; F601-Y648 HydrophobicContact CB-CD1 4.26Å; F601-Y648 HydrophobicContact CD1-CD1 4.49Å; F601-Y648 WeakPolarHBondContact CE1-O 3.34Å; F601-Y648 HydrophobicContact CG-CD1 4.19Å; F601-Y648 HydrophobicContact CG-CG 4.5Å; F601-A649 HydrophobicContact CE1-CB 4.45Å; F601-A649 HydrophobicContact CZ-CB 4.19Å; F601-P655 HydrophobicContact CD1-CG 3.9Å; F601-L656 HydrophobicContact CE1-CD1 3.72Å; F601-L656 HydrophobicContact CE1-CG 4.26Å; F601-L656 HydrophobicContact CZ-CD1 3.84Å; F601-F718 HydrophobicContact CE2-CD2 4.41Å; F601-F718 AromaticContact CZ-CD2 3.98Å; F601-F718 HydrophobicContact CZ-CD2 3.98Å; F601-F718 HydrophobicContact CZ-CE2 4.13Å
602N91.2Very high89.1Confident44 Ų4443.5 Ų43.524%0.23522%0.22CC..Hα-helixtrans-63-42.9173.1-81.4-28000113.1F563 A598 A599 R605F563-N602 HydrophobicContact CE1-CB 4.4Å; F563-N602 HydrophobicContact CE2-CB 4.07Å; F563-N602 HydrophobicContact CZ-CB 3.52Å; A598-N602 VanDerWaalsContact O-CB 3.24Å; A598-N602 WeakPolarHBondContact O-CB 3.42Å; A598-N602 PolarHBondContact O-N 2.92Å; A598-N602 PolarHBondContact O-ND2 2.77Å; A598-N602 VanDerWaalsContact O-ND2 3.11Å; A599-N602 WeakPolarHBondContact O-CB 3.33Å; A599-N602 PolarHBondContact O-N 3.24Å; N602-R605 WeakPolarHBondContact O-CB 3.24Å; N602-R605 PolarHBondContact O-N 3.27Å; N602-R605 PolarHBondContact OD1-NH1 3.09Å
603V91.3Very high88.5Confident4 Ų447.7 Ų47.72%0.02425%0.247CC..Hα-helixtrans-66.4-41.3175.7172.80000110.6Y562 A599 I600 R605 K606 F607 L615 A618 M622Y562-V603 HydrophobicContact CD1-CG2 4.49Å; Y562-V603 HydrophobicContact CG-CG2 4.08Å; A599-V603 WeakPolarHBondContact O-CG2 3.38Å; A599-V603 PolarHBondContact O-N 3.22Å; I600-V603 PolarHBondContact O-N 3.25Å; V603-R605 PolarHBondContact O-N 3.08Å; V603-K606 WeakPolarHBondContact O-CB 3.22Å; V603-K606 PolarHBondContact O-N 2.96Å; V603-F607 HydrophobicContact CG1-CE1 4.16Å; V603-F607 WeakPolarHBondContact O-CD1 3.46Å; V603-L615 HydrophobicContact CG1-CB 4.24Å; V603-L615 HydrophobicContact CG1-CD2 4.05Å; V603-A618 HydrophobicContact CG1-CB 4.35Å; V603-M622 HydrophobicContact CB-CE 4.13Å; V603-M622 HydrophobicContact CG2-CE 3.76Å
604M89.9Confident88.1Confident0 Ų050.4 Ų50.40%026%0.262CS..Hα-helixtrans-59.1-32.8174.8-76-169.5-65.800113.3I600 F601 K606 F607 P655 L656 R714 C717I600-M604 HydrophobicContact CG2-CE 3.94Å; I600-M604 WeakPolarHBondContact O-CG 3.48Å; I600-M604 PolarHBondContact O-N 2.99Å; F601-M604 HydrophobicContact CB-CE 4.25Å; F601-M604 HydrophobicContact CD1-CE 3.79Å; F601-M604 HydrophobicContact CD2-CE 3.73Å; F601-M604 HydrophobicContact CE1-CE 3.97Å; F601-M604 HydrophobicContact CE2-CE 3.96Å; F601-M604 HydrophobicContact CG-CE 3.66Å; F601-M604 HydrophobicContact CZ-CE 4.08Å; F601-M604 PolarHBondContact O-N 3.25Å; M604-K606 PolarHBondContact O-N 3.39Å; M604-F607 HydrophobicContact CG-CE2 4.24Å; M604-F607 HydrophobicContact CG-CZ 4.14Å; M604-F607 WeakPolarHBondContact O-CB 3.48Å; M604-F607 WeakPolarHBondContact O-CG 3.28Å; M604-F607 PolarHBondContact O-N 3.35Å; M604-P655 HydrophobicContact CB-CB 4.34Å; M604-P655 HydrophobicContact CB-CG 4.02Å; M604-P655 HydrophobicContact CE-CG 4.39Å; M604-L656 HydrophobicContact SD-CD2 4.34Å; M604-R714 HydrophobicContact CB-CG 4.19Å; M604-R714 HydrophobicContact CG-CG 4.45Å; M604-R714 PolarHBondContact O-NE 2.94Å; M604-R714 HydrophobicContact SD-CB 4.18Å; M604-C717 HydrophobicContact SD-CB 4.2Å
605R89.1Confident87.7Confident86 Ų8645.6 Ų45.633%0.32524%0.241SC..Hα-helixtrans-64.3-25.2175.2-72.9173.6-177.7123.2-3.8112.8F601 N602 V603 F607 D653 P655F601-R605 WeakPolarHBondContact O-CG 3.39Å; F601-R605 PolarHBondContact O-N 3.22Å; F601-R605 VanDerWaalsContact O-N 3.09Å; N602-R605 WeakPolarHBondContact O-CB 3.24Å; N602-R605 PolarHBondContact O-N 3.27Å; N602-R605 PolarHBondContact OD1-NH1 3.09Å; V603-R605 PolarHBondContact O-N 3.08Å; R605-F607 VanDerWaalsContact C-N 3.29Å; R605-D653 IonicContact CZ-OD2 3.22Å; R605-D653 IonicContact NE-OD2 2.93Å; R605-D653 IonicContact NH2-OD2 2.67Å; R605-D653 PolarHBondContact NH2-OD2 2.77Å; R605-P655 HydrophobicContact CG-CB 3.88Å; R605-P655 HydrophobicContact CG-CG 4.05Å
606K87.1Confident87.1Confident59 Ų5944.4 Ų44.426%0.25723%0.234SC..THydrogen-bonded Turntrans-79-6.9175.7-65.4-178158.5-157.70113.9Y562 F563 V603 M604 D608 L615Y562-K606 PolarHBondContact O-NZ 2.97Å; F563-K606 VanDerWaalsContact CA-NZ 3.29Å; F563-K606 PolarHBondContact O-NZ 2.88Å; V603-K606 WeakPolarHBondContact O-CB 3.22Å; V603-K606 PolarHBondContact O-N 2.96Å; M604-K606 PolarHBondContact O-N 3.39Å; K606-D608 PolarHBondContact O-N 3.46Å; K606-L615 HydrophobicContact CB-CD1 4.22Å; K606-L615 HydrophobicContact CD-CD2 4.41Å
607F86.2Confident86.7Confident2 Ų247.5 Ų47.51%0.00925%0.251CS..  trans-69.2122.3180-66.56.2000109.5V603 M604 R605 V611 L615 M616 V710 A713 R714V603-F607 HydrophobicContact CG1-CE1 4.16Å; V603-F607 WeakPolarHBondContact O-CD1 3.46Å; M604-F607 HydrophobicContact CG-CE2 4.24Å; M604-F607 HydrophobicContact CG-CZ 4.14Å; M604-F607 WeakPolarHBondContact O-CB 3.48Å; M604-F607 WeakPolarHBondContact O-CG 3.28Å; M604-F607 PolarHBondContact O-N 3.35Å; R605-F607 VanDerWaalsContact C-N 3.29Å; F607-V611 HydrophobicContact CB-CG1 4.28Å; F607-V611 HydrophobicContact CB-CG2 4.18Å; F607-V611 HydrophobicContact CD1-CG1 4.09Å; F607-V611 HydrophobicContact CD2-CG1 3.81Å; F607-V611 HydrophobicContact CD2-CG2 4.35Å; F607-V611 HydrophobicContact CE1-CG1 4.38Å; F607-V611 HydrophobicContact CE2-CG1 4.14Å; F607-V611 HydrophobicContact CG-CG1 3.81Å; F607-V611 HydrophobicContact CG-CG2 4.45Å; F607-V611 HydrophobicContact CZ-CG1 4.41Å; F607-L615 HydrophobicContact CD1-CB 4.07Å; F607-L615 HydrophobicContact CD1-CD1 4.33Å; F607-L615 HydrophobicContact CE1-CB 3.7Å; F607-M616 HydrophobicContact CD2-SD 4.35Å; F607-M616 HydrophobicContact CE2-SD 3.42Å; F607-M616 WeakPolarHBondContact CE2-SD 3.44Å; F607-M616 HydrophobicContact CZ-CG 4.35Å; F607-M616 HydrophobicContact CZ-SD 3.6Å; F607-V710 HydrophobicContact CB-CG1 3.65Å; F607-V710 VanDerWaalsContact O-CG1 3.3Å; F607-V710 WeakPolarHBondContact O-CG1 3.31Å; F607-A713 HydrophobicContact CD2-CB 4.19Å; F607-A713 HydrophobicContact CE2-CB 4.28Å; F607-R714 HydrophobicContact CB-CG 4.48Å; F607-R714 HydrophobicContact CD2-CG 3.48Å; F607-R714 VanDerWaalsContact CD2-CG 3.48Å; F607-R714 HydrophobicContact CE2-CG 3.99Å; F607-R714 HydrophobicContact CG-CG 4.27Å; F607-R714 PolarHBondContact O-NH2 3.21Å
608D80.8Confident86.5Confident121 Ų12147.5 Ų47.565%0.64725%0.251SS*.  trans-105.2177.2171.9-65.8-38.6000110.5K606 D610 V611 V710K606-D608 PolarHBondContact O-N 3.46Å; D608-D610 CarbonylContact O-C 3.5Å; D608-D610 PolarHBondContact O-N 3.27Å; D608-D610 VanDerWaalsContact O-N 3.12Å; D608-V611 VanDerWaalsContact O-CG2 3.3Å; D608-V611 WeakPolarHBondContact O-CG2 3.23Å; D608-V611 PolarHBondContact O-N 2.66Å; D608-V710 WeakPolarHBondContact O-CG2 3.25Å
609D71.7Confident86.3Confident140 Ų14046.6 Ų46.675%0.74924%0.243SC*.SBendtrans-50.3-39.4-174.9-71.6-31.6000113.3V710D609-V710 VanDerWaalsContact CA-CG2 3.41Å
610D73.8Confident86Confident128 Ų12847.1 Ų47.168%0.68425%0.247SC*.SBendtrans-96.382.4169.2-69-42.2000110.4D608 Q612D608-D610 CarbonylContact O-C 3.5Å; D608-D610 PolarHBondContact O-N 3.27Å; D608-D610 VanDerWaalsContact O-N 3.12Å; D610-Q612 PolarHBondContact O-N 3.11Å; D610-Q612 VanDerWaalsContact O-N 3.08Å
611V73.5Confident85.8Confident32 Ų3248.4 Ų48.419%0.19425%0.254CS..  trans-61.5115.7-177.5-172.90000110.6F607 D608 M616 V710 A713F607-V611 HydrophobicContact CB-CG1 4.28Å; F607-V611 HydrophobicContact CB-CG2 4.18Å; F607-V611 HydrophobicContact CD1-CG1 4.09Å; F607-V611 HydrophobicContact CD2-CG1 3.81Å; F607-V611 HydrophobicContact CD2-CG2 4.35Å; F607-V611 HydrophobicContact CE1-CG1 4.38Å; F607-V611 HydrophobicContact CE2-CG1 4.14Å; F607-V611 HydrophobicContact CG-CG1 3.81Å; F607-V611 HydrophobicContact CG-CG2 4.45Å; F607-V611 HydrophobicContact CZ-CG1 4.41Å; D608-V611 VanDerWaalsContact O-CG2 3.3Å; D608-V611 WeakPolarHBondContact O-CG2 3.23Å; D608-V611 PolarHBondContact O-N 2.66Å; V611-M616 HydrophobicContact CG1-CG 3.55Å; V611-M616 HydrophobicContact CG1-SD 3.94Å; V611-V710 HydrophobicContact CG2-CG2 4.37Å; V611-A713 HydrophobicContact CG1-CB 4.5Å; V611-A713 HydrophobicContact CG2-CB 3.97Å
612Q82.4Confident85.8Confident108 Ų10848.4 Ų48.451%0.50525%0.254SS..  trans-64.4133.6179.3-64-177.8-13.500111.2D610 N614 L615 M616D610-Q612 PolarHBondContact O-N 3.11Å; D610-Q612 VanDerWaalsContact O-N 3.08Å; Q612-N614 PolarHBondContact O-N 3.29Å; Q612-L615 HydrophobicContact CB-CD1 4.12Å; Q612-L615 HydrophobicContact CB-CG 4.18Å; Q612-L615 PolarHBondContact O-N 2.97Å; Q612-L615 VanDerWaalsContact O-N 3.12Å; Q612-M616 PolarHBondContact O-N 3.33Å
613P82.8Confident85.9Confident87 Ų8746.4 Ų46.457%0.56524%0.244SC*.Hα-helixtrans-60.6-30.8-178.523.5-33.3000112.5M616 N617P613-M616 PolarHBondContact O-N 2.91Å; P613-N617 WeakPolarHBondContact O-CB 3.47Å; P613-N617 PolarHBondContact O-N 3.46Å
614N86Confident85.9Confident58 Ų5849.2 Ų49.231%0.3126%0.264SS..Hα-helixtrans-65.6-38.8178.9-64.29.1000112E568 D569 Q612 N617 A618E568-N614 HydrophobicContact CB-CB 4.23Å; D569-N614 VanDerWaalsContact OD1-CG 3.31Å; D569-N614 PolarHBondContact OD1-ND2 2.85Å; D569-N614 PolarHBondContact OD2-ND2 3.21Å; Q612-N614 PolarHBondContact O-N 3.29Å; N614-N617 PolarHBondContact O-N 2.66Å; N614-A618 WeakPolarHBondContact O-CB 3.46Å; N614-A618 PolarHBondContact O-N 3.01Å
615L87.4Confident86.1Confident8 Ų849.7 Ų49.74%0.04227%0.267CS..Hα-helixtrans-70.4-38.7177.5-63.9174.4000111.5E568 V603 K606 F607 Q612 A618 C619E568-L615 HydrophobicContact CG-CD2 3.84Å; V603-L615 HydrophobicContact CG1-CB 4.24Å; V603-L615 HydrophobicContact CG1-CD2 4.05Å; K606-L615 HydrophobicContact CB-CD1 4.22Å; K606-L615 HydrophobicContact CD-CD2 4.41Å; F607-L615 HydrophobicContact CD1-CB 4.07Å; F607-L615 HydrophobicContact CD1-CD1 4.33Å; F607-L615 HydrophobicContact CE1-CB 3.7Å; Q612-L615 HydrophobicContact CB-CD1 4.12Å; Q612-L615 HydrophobicContact CB-CG 4.18Å; Q612-L615 PolarHBondContact O-N 2.97Å; Q612-L615 VanDerWaalsContact O-N 3.12Å; L615-A618 WeakPolarHBondContact O-CB 3.37Å; L615-A618 PolarHBondContact O-N 3.41Å; L615-C619 PolarHBondContact O-N 2.95Å; L615-C619 VanDerWaalsContact O-N 3.09Å
616M84.6Confident86.3Confident23 Ų2345.6 Ų45.611%0.11325%0.252CS..Hα-helixtrans-62.4-44.3172.3-75.1-68.1-5900111.6F607 V611 Q612 P613 A618 C619 A620 L704 A713 C717F607-M616 HydrophobicContact CD2-SD 4.35Å; F607-M616 HydrophobicContact CE2-SD 3.42Å; F607-M616 WeakPolarHBondContact CE2-SD 3.44Å; F607-M616 HydrophobicContact CZ-CG 4.35Å; F607-M616 HydrophobicContact CZ-SD 3.6Å; V611-M616 HydrophobicContact CG1-CG 3.55Å; V611-M616 HydrophobicContact CG1-SD 3.94Å; Q612-M616 PolarHBondContact O-N 3.33Å; P613-M616 PolarHBondContact O-N 2.91Å; M616-A618 VanDerWaalsContact C-N 3.34Å; M616-C619 PolarHBondContact O-N 3.37Å; M616-A620 PolarHBondContact O-N 3.48Å; M616-L704 HydrophobicContact CE-CD1 3.64Å; M616-A713 HydrophobicContact SD-CB 3.9Å; M616-C717 WeakPolarHBondContact CE-SG 3.37Å
617N88Confident86.6Confident66 Ų6643 Ų4335%0.35324%0.241SC..Hα-helixtrans-62.3-41.5176.5-172.745.7000111.5P613 N614 C619 A620 I621P613-N617 WeakPolarHBondContact O-CB 3.47Å; P613-N617 PolarHBondContact O-N 3.46Å; N614-N617 PolarHBondContact O-N 2.66Å; N617-C619 PolarHBondContact O-N 3.35Å; N617-A620 PolarHBondContact O-N 2.84Å; N617-I621 WeakPolarHBondContact ND2-CD1 3.33Å; N617-I621 WeakPolarHBondContact O-CB 3.42Å; N617-I621 WeakPolarHBondContact O-CG1 3.36Å; N617-I621 PolarHBondContact O-N 3.32Å
618A91.3Very high86.8Confident0 Ų044.7 Ų44.70%026%0.255CS..Hα-helixtrans-58.2-46.7174.800000112.1Y562 V603 N614 L615 M616 A620 I621 M622Y562-A618 HydrophobicContact CD1-CB 3.94Å; Y562-A618 HydrophobicContact CE1-CB 3.36Å; V603-A618 HydrophobicContact CG1-CB 4.35Å; N614-A618 WeakPolarHBondContact O-CB 3.46Å; N614-A618 PolarHBondContact O-N 3.01Å; L615-A618 WeakPolarHBondContact O-CB 3.37Å; L615-A618 PolarHBondContact O-N 3.41Å; M616-A618 VanDerWaalsContact C-N 3.34Å; A618-A620 PolarHBondContact O-N 3.4Å; A618-I621 PolarHBondContact O-N 3.02Å; A618-M622 HydrophobicContact CB-CE 4.48Å; A618-M622 WeakPolarHBondContact O-CB 3.34Å; A618-M622 WeakPolarHBondContact O-CE 3.29Å; A618-M622 WeakPolarHBondContact O-CG 3.42Å; A618-M622 PolarHBondContact O-N 2.98Å
619C91.1Very high87.4Confident1 Ų139 Ų391%0.00723%0.225CC..Hα-helixtrans-61.5-42.3174.3-72.60000112.3L615 M616 N617 G623 C717L615-C619 PolarHBondContact O-N 2.95Å; L615-C619 VanDerWaalsContact O-N 3.09Å; M616-C619 PolarHBondContact O-N 3.37Å; N617-C619 PolarHBondContact O-N 3.35Å; C619-G623 PolarHBondContact O-N 2.92Å; C619-C717 HydrophobicContact CB-CB 4.14Å
620A88.6Confident88.3Confident21 Ų2132.3 Ų32.317%0.17419%0.189CC..Hα-helixtrans-64.3-44.9179.100000111.9M616 N617 A618 G623 S624 P701M616-A620 PolarHBondContact O-N 3.48Å; N617-A620 PolarHBondContact O-N 2.84Å; A618-A620 PolarHBondContact O-N 3.4Å; A620-G623 PolarHBondContact O-N 3.42Å; A620-S624 WeakPolarHBondContact O-CB 3.45Å; A620-S624 PolarHBondContact O-N 2.6Å; A620-S624 PolarHBondContact O-OG 3.48Å; A620-P701 HydrophobicContact CB-CG 4.09Å
621I91.6Very high89Confident28 Ų2829.8 Ų29.814%0.14418%0.175CC..Hα-helixtrans-66.8-50.4179.3-71.4167000110.5L575 N617 A618 G623 S624 C625L575-I621 HydrophobicContact CB-CG2 4.02Å; N617-I621 WeakPolarHBondContact ND2-CD1 3.33Å; N617-I621 WeakPolarHBondContact O-CB 3.42Å; N617-I621 WeakPolarHBondContact O-CG1 3.36Å; N617-I621 PolarHBondContact O-N 3.32Å; A618-I621 PolarHBondContact O-N 3.02Å; I621-G623 VanDerWaalsContact C-N 3.26Å; I621-G623 PolarHBondContact O-N 3.43Å; I621-S624 WeakPolarHBondContact CA-OG 3.34Å; I621-S624 PolarHBondContact O-N 3.03Å; I621-S624 VanDerWaalsContact O-N 3.13Å; I621-S624 PolarHBondContact O-OG 3.19Å; I621-C625 WeakPolarHBondContact O-CB 3.5Å; I621-C625 PolarHBondContact O-N 2.89Å; I621-C625 PolarHBondContact O-SG 3.07Å
622M94.5Very high89.5Confident0 Ų032.9 Ų32.90%019%0.191CC..Hα-helixtrans-57-41.7175.8-73.7-171-71.900111.9L559 Y562 L575 F596 A599 I600 V603 A618 C625 V626L559-M622 HydrophobicContact CD2-CG 4.45Å; L559-M622 HydrophobicContact CD2-SD 3.98Å; Y562-M622 HydrophobicContact CD2-CE 4.46Å; Y562-M622 HydrophobicContact CD2-SD 4.07Å; Y562-M622 HydrophobicContact CE2-CE 4.2Å; Y562-M622 HydrophobicContact CE2-CG 4.07Å; Y562-M622 HydrophobicContact CE2-SD 3.62Å; L575-M622 HydrophobicContact CD1-CG 3.99Å; F596-M622 HydrophobicContact CD1-CB 4.09Å; F596-M622 HydrophobicContact CD1-CG 4.27Å; F596-M622 HydrophobicContact CE1-CB 4.46Å; F596-M622 HydrophobicContact CE1-CG 4.43Å; A599-M622 HydrophobicContact CB-SD 3.69Å; I600-M622 HydrophobicContact CB-CE 4.46Å; I600-M622 HydrophobicContact CD1-CB 3.92Å; I600-M622 HydrophobicContact CG1-CB 3.54Å; I600-M622 HydrophobicContact CG1-CE 3.9Å; I600-M622 HydrophobicContact CG1-CG 4.44Å; I600-M622 HydrophobicContact CG1-SD 4.09Å; V603-M622 HydrophobicContact CB-CE 4.13Å; V603-M622 HydrophobicContact CG2-CE 3.76Å; A618-M622 HydrophobicContact CB-CE 4.48Å; A618-M622 WeakPolarHBondContact O-CB 3.34Å; A618-M622 WeakPolarHBondContact O-CE 3.29Å; A618-M622 WeakPolarHBondContact O-CG 3.42Å; A618-M622 PolarHBondContact O-N 2.98Å; M622-C625 PolarHBondContact O-N 3.27Å; M622-V626 WeakPolarHBondContact O-CG1 3.46Å; M622-V626 PolarHBondContact O-N 3.26Å
623G92.7Very high89.7Confident3 Ų328.6 Ų28.63%0.03117%0.17CC..Hα-helixtrans-59-50.517400000112.2C619 A620 I621 C625 V626 V627C619-G623 PolarHBondContact O-N 2.92Å; A620-G623 PolarHBondContact O-N 3.42Å; I621-G623 VanDerWaalsContact C-N 3.26Å; I621-G623 PolarHBondContact O-N 3.43Å; G623-C625 VanDerWaalsContact C-N 3.35Å; G623-C625 PolarHBondContact O-N 3.31Å; G623-V626 WeakPolarHBondContact O-CG1 3.3Å; G623-V626 PolarHBondContact O-N 3.19Å; G623-V627 WeakPolarHBondContact O-CB 3.02Å; G623-V627 VanDerWaalsContact O-CG2 3.23Å; G623-V627 WeakPolarHBondContact O-CG2 3.22Å; G623-V627 PolarHBondContact O-N 2.95Å
624S91.4Very high89.7Confident63 Ų6330.6 Ų30.644%0.44117%0.172SC..Hα-helixtrans-62.1-40.6178.3710000112.6A620 I621 A628A620-S624 WeakPolarHBondContact O-CB 3.45Å; A620-S624 PolarHBondContact O-N 2.6Å; A620-S624 PolarHBondContact O-OG 3.48Å; I621-S624 WeakPolarHBondContact CA-OG 3.34Å; I621-S624 PolarHBondContact O-N 3.03Å; I621-S624 VanDerWaalsContact O-N 3.13Å; I621-S624 PolarHBondContact O-OG 3.19Å; S624-A628 VanDerWaalsContact O-CB 3.25Å; S624-A628 WeakPolarHBondContact O-CB 3.42Å; S624-A628 PolarHBondContact O-N 2.98Å
625C93.3Very high89.5Confident10 Ų1031.4 Ų31.47%0.06819%0.187CC..Hα-helixtrans-65.8-45.5178.3-69.10000111.9V580 F596 I621 M622 G623 V627 L629V580-C625 WeakPolarHBondContact CG1-O 3.1Å; F596-C625 HydrophobicContact CE1-CB 4.09Å; F596-C625 HydrophobicContact CZ-CB 4.06Å; I621-C625 WeakPolarHBondContact O-CB 3.5Å; I621-C625 PolarHBondContact O-N 2.89Å; I621-C625 PolarHBondContact O-SG 3.07Å; M622-C625 PolarHBondContact O-N 3.27Å; G623-C625 VanDerWaalsContact C-N 3.35Å; G623-C625 PolarHBondContact O-N 3.31Å; C625-V627 VanDerWaalsContact C-N 3.34Å; C625-L629 VanDerWaalsContact O-CB 3.25Å; C625-L629 WeakPolarHBondContact O-CB 3.46Å; C625-L629 PolarHBondContact O-N 2.89Å
626V94.4Very high89.4Confident0 Ų034.3 Ų34.30%020%0.198CC..Hα-helixtrans-70.6-33.4-179.275.30000111.8V593 F596 I600 M622 G623 V630 L641V593-V626 HydrophobicContact CG2-CG2 4.24Å; F596-V626 HydrophobicContact CB-CB 3.84Å; F596-V626 HydrophobicContact CB-CG1 4.49Å; F596-V626 HydrophobicContact CB-CG2 3.72Å; F596-V626 HydrophobicContact CD1-CB 4.39Å; F596-V626 HydrophobicContact CD2-CB 4Å; F596-V626 HydrophobicContact CD2-CG2 3.91Å; F596-V626 HydrophobicContact CG-CB 3.84Å; F596-V626 HydrophobicContact CG-CG2 4Å; I600-V626 HydrophobicContact CD1-CG1 4.38Å; M622-V626 WeakPolarHBondContact O-CG1 3.46Å; M622-V626 PolarHBondContact O-N 3.26Å; G623-V626 WeakPolarHBondContact O-CG1 3.3Å; G623-V626 PolarHBondContact O-N 3.19Å; V626-V630 WeakPolarHBondContact O-CB 3.3Å; V626-V630 WeakPolarHBondContact O-CG2 3.3Å; V626-V630 PolarHBondContact O-N 3.43Å; V626-L641 HydrophobicContact CG1-CD1 4.09Å; V626-L641 HydrophobicContact CG1-CD2 4.03Å; V626-L641 HydrophobicContact CG2-CD1 3.81Å; V626-L641 HydrophobicContact CG2-CD2 4.1Å
627V92.3Very high89.6Confident4 Ų433.2 Ų33.22%0.02419%0.193CC..Hα-helixtrans-68.1-50.2173.7174.30000110.4G623 C625 L629 V630 L631 L641 I721 E724 L725G623-V627 WeakPolarHBondContact O-CB 3.02Å; G623-V627 VanDerWaalsContact O-CG2 3.23Å; G623-V627 WeakPolarHBondContact O-CG2 3.22Å; G623-V627 PolarHBondContact O-N 2.95Å; C625-V627 VanDerWaalsContact C-N 3.34Å; V627-L629 VanDerWaalsContact C-N 3.3Å; V627-L629 PolarHBondContact O-N 3.14Å; V627-V630 PolarHBondContact O-N 3.4Å; V627-V630 VanDerWaalsContact O-N 3.08Å; V627-L631 HydrophobicContact CG1-CD1 3.75Å; V627-L631 HydrophobicContact CG1-CG 4.02Å; V627-L631 VanDerWaalsContact O-CG 3.3Å; V627-L631 WeakPolarHBondContact O-CG 3.48Å; V627-L631 PolarHBondContact O-N 2.88Å; V627-L641 HydrophobicContact CG2-CD2 4.27Å; V627-I721 HydrophobicContact CG2-CG2 3.82Å; V627-E724 HydrophobicContact CG1-CB 4.22Å; V627-E724 HydrophobicContact CG1-CG 3.74Å; V627-L725 HydrophobicContact CG2-CD1 4.4Å; V627-L725 HydrophobicContact CG2-CG 4.07Å
628A91Very high89.7Confident38 Ų3831.8 Ų31.831%0.31418%0.183SC..Hα-helixtrans-56.3-45175.900000111.7V580 S624 V630 L631 D632V580-A628 HydrophobicContact CG1-CB 4.08Å; V580-A628 HydrophobicContact CG2-CB 4.48Å; S624-A628 VanDerWaalsContact O-CB 3.25Å; S624-A628 WeakPolarHBondContact O-CB 3.42Å; S624-A628 PolarHBondContact O-N 2.98Å; A628-V630 PolarHBondContact O-N 3.08Å; A628-L631 PolarHBondContact O-N 3.25Å; A628-D632 PolarHBondContact O-N 3.47Å
629L92.1Very high89.5Confident0 Ų035.3 Ų35.30%020%0.2CC..Hα-helixtrans-55.4-41.1177.217271.1000111.5V580 P581 Q584 L589 I592 C625 V627 Q633V580-L629 HydrophobicContact CB-CB 4.39Å; V580-L629 HydrophobicContact CG1-CB 4.01Å; P581-L629 HydrophobicContact CG-CD1 3.75Å; Q584-L629 HydrophobicContact CG-CD1 4.43Å; L589-L629 HydrophobicContact CD1-CD1 4.35Å; L589-L629 HydrophobicContact CD1-CD2 3.93Å; L589-L629 HydrophobicContact CD1-CG 3.95Å; I592-L629 HydrophobicContact CB-CD2 4.28Å; I592-L629 HydrophobicContact CG2-CD2 3.38Å; C625-L629 VanDerWaalsContact O-CB 3.25Å; C625-L629 WeakPolarHBondContact O-CB 3.46Å; C625-L629 PolarHBondContact O-N 2.89Å; V627-L629 VanDerWaalsContact C-N 3.3Å; V627-L629 PolarHBondContact O-N 3.14Å; L629-Q633 WeakPolarHBondContact O-CG 3.4Å
630V91.8Very high89.5Confident0 Ų036.6 Ų36.60%021%0.208CC..Hα-helixtrans-84.6-31.7-174.3161.50000112.4V593 V626 V627 A628 D632 Q633 A637 K638 L641 L725V593-V630 HydrophobicContact CG2-CG2 3.88Å; V626-V630 WeakPolarHBondContact O-CB 3.3Å; V626-V630 WeakPolarHBondContact O-CG2 3.3Å; V626-V630 PolarHBondContact O-N 3.43Å; V627-V630 PolarHBondContact O-N 3.4Å; V627-V630 VanDerWaalsContact O-N 3.08Å; A628-V630 PolarHBondContact O-N 3.08Å; V630-D632 VanDerWaalsContact C-N 3.27Å; V630-D632 PolarHBondContact O-N 2.91Å; V630-Q633 PolarHBondContact O-N 3Å; V630-A637 HydrophobicContact CB-CB 4.39Å; V630-A637 HydrophobicContact CG1-CB 3.81Å; V630-A637 VanDerWaalsContact CG1-O 3.31Å; V630-A637 WeakPolarHBondContact CG1-O 3.19Å; V630-A637 HydrophobicContact CG2-CB 4.43Å; V630-K638 HydrophobicContact CG1-CB 4.18Å; V630-K638 HydrophobicContact CG1-CG 3.85Å; V630-L641 HydrophobicContact CB-CD2 4.28Å; V630-L641 HydrophobicContact CG1-CB 4.45Å; V630-L641 HydrophobicContact CG1-CD2 4.49Å; V630-L641 HydrophobicContact CG2-CB 4.09Å; V630-L641 HydrophobicContact CG2-CD2 4.07Å; V630-L725 HydrophobicContact CG1-CD2 4.45Å
631L87.5Confident89.7Confident75 Ų7535.6 Ų35.639%0.39320%0.2SC..Hα-helixtrans-65.6-31.2175-71.8-179.8000112.3V627 A628 Q633 K638V627-L631 HydrophobicContact CG1-CD1 3.75Å; V627-L631 HydrophobicContact CG1-CG 4.02Å; V627-L631 VanDerWaalsContact O-CG 3.3Å; V627-L631 WeakPolarHBondContact O-CG 3.48Å; V627-L631 PolarHBondContact O-N 2.88Å; A628-L631 PolarHBondContact O-N 3.25Å; L631-Q633 PolarHBondContact O-N 3.14Å; L631-K638 HydrophobicContact CD2-CD 4.41Å
632D83.7Confident89.6Confident97 Ų9734.5 Ų34.552%0.51919%0.194SC..THydrogen-bonded Turntrans-79-1.9176.9-76.8-7.1000113.7Q583 A628 V630Q583-D632 PolarHBondContact NE2-O 3.12Å; A628-D632 PolarHBondContact O-N 3.47Å; V630-D632 VanDerWaalsContact C-N 3.27Å; V630-D632 PolarHBondContact O-N 2.91Å
633Q87.7Confident89.3Confident18 Ų1838 Ų388%0.08421%0.21CC..SBendtrans-108.3-178.9-176.9-52.2-73.1-39.600111G582 L589 L629 V630 L631 A637G582-Q633 PolarHBondContact O-NE2 3.4Å; L589-Q633 HydrophobicContact CD1-CG 4.14Å; L589-Q633 HydrophobicContact CD2-CB 4.17Å; L589-Q633 HydrophobicContact CD2-CG 4Å; L629-Q633 WeakPolarHBondContact O-CG 3.4Å; V630-Q633 PolarHBondContact O-N 3Å; L631-Q633 PolarHBondContact O-N 3.14Å; Q633-A637 HydrophobicContact CB-CB 3.56Å; Q633-A637 HydrophobicContact CG-CB 4.33Å
634E83.6Confident89.4Confident129 Ų12938.7 Ų38.760%0.60321%0.214SC*.  trans-66163.5175.9-60.7-177.8171.800113Y636 A637E634-Y636 HydrophobicContact CB-CD1 3.65Å; E634-Y636 HydrophobicContact CB-CE1 3.65Å; E634-Y636 HydrophobicContact CG-CE1 4.25Å; E634-Y636 PolarHBondContact O-N 2.7Å; E634-Y636 WeakPolarHBondContact OE2-CE1 3.4Å; E634-A637 WeakPolarHBondContact O-CB 3.27Å; E634-A637 PolarHBondContact O-N 3.12Å
635A79.9Confident89.5Confident76 Ų7635.7 Ų35.763%0.62819%0.193SC*.Hα-helixtrans-54-30.8-174.100000114.8A637 K638A635-A637 PolarHBondContact O-N 3.26Å; A635-K638 PolarHBondContact O-N 3.18Å
636Y86.2Confident89.5Confident68 Ų6835.3 Ų35.327%0.26719%0.19SC..Hα-helixtrans-64.3-27.1177.978.7-95.2000112.7P586 L589 E634 K638 E639 V640P586-Y636 WeakPolarHBondContact CA-OH 3.26Å; P586-Y636 HydrophobicContact CB-CE2 4.01Å; P586-Y636 WeakPolarHBondContact CB-OH 3.4Å; L589-Y636 HydrophobicContact CD2-CE2 3.92Å; E634-Y636 HydrophobicContact CB-CD1 3.65Å; E634-Y636 HydrophobicContact CB-CE1 3.65Å; E634-Y636 HydrophobicContact CG-CE1 4.25Å; E634-Y636 PolarHBondContact O-N 2.7Å; E634-Y636 WeakPolarHBondContact OE2-CE1 3.4Å; Y636-K638 VanDerWaalsContact C-N 3.31Å; Y636-K638 PolarHBondContact O-N 3.35Å; Y636-E639 WeakPolarHBondContact O-CB 3.42Å; Y636-E639 PolarHBondContact O-N 3.02Å; Y636-E639 VanDerWaalsContact O-N 3.15Å; Y636-V640 HydrophobicContact CD2-CG2 4.06Å; Y636-V640 WeakPolarHBondContact O-CG2 3.37Å; Y636-V640 PolarHBondContact O-N 3.06Å
637A89.8Confident89.3Confident0 Ų038.5 Ų38.50%021%0.212CC..Hα-helixtrans-62.4-41-177.200000111.6L589 V630 Q633 E634 A635 E639 V640 L641L589-A637 HydrophobicContact CD2-CB 3.58Å; V630-A637 HydrophobicContact CB-CB 4.39Å; V630-A637 HydrophobicContact CG1-CB 3.81Å; V630-A637 VanDerWaalsContact CG1-O 3.31Å; V630-A637 WeakPolarHBondContact CG1-O 3.19Å; V630-A637 HydrophobicContact CG2-CB 4.43Å; Q633-A637 HydrophobicContact CB-CB 3.56Å; Q633-A637 HydrophobicContact CG-CB 4.33Å; E634-A637 WeakPolarHBondContact O-CB 3.27Å; E634-A637 PolarHBondContact O-N 3.12Å; A635-A637 PolarHBondContact O-N 3.26Å; A637-E639 VanDerWaalsContact C-N 3.28Å; A637-E639 PolarHBondContact O-N 2.83Å; A637-V640 PolarHBondContact O-N 2.87Å; A637-L641 PolarHBondContact O-N 3.24Å; A637-L641 VanDerWaalsContact O-N 3.15Å
638K89.2Confident89.4Confident36 Ų3641 Ų4116%0.15722%0.222CC..Hα-helixtrans-57.6-46.2175.8-62-173.4-171.2-170.50109.7V630 L631 A635 Y636 V640 L641 F642 M741V630-K638 HydrophobicContact CG1-CB 4.18Å; V630-K638 HydrophobicContact CG1-CG 3.85Å; L631-K638 HydrophobicContact CD2-CD 4.41Å; A635-K638 PolarHBondContact O-N 3.18Å; Y636-K638 VanDerWaalsContact C-N 3.31Å; Y636-K638 PolarHBondContact O-N 3.35Å; K638-V640 PolarHBondContact O-N 3.09Å; K638-L641 PolarHBondContact O-N 3.07Å; K638-F642 VanDerWaalsContact O-CB 3.27Å; K638-F642 WeakPolarHBondContact O-CB 3.45Å; K638-F642 PolarHBondContact O-N 3.37Å; K638-M741 HydrophobicContact CB-CE 4.22Å; K638-M741 HydrophobicContact CB-SD 3.82Å; K638-M741 HydrophobicContact CD-CE 3.8Å; K638-M741 HydrophobicContact CD-CG 4.44Å; K638-M741 HydrophobicContact CD-SD 3.76Å; K638-M741 HydrophobicContact CG-SD 4.44Å
639E86.5Confident89.4Confident75 Ų7539.2 Ų39.235%0.3521%0.207SC..Hα-helixtrans-61.4-41.9177.5-60.2-163.6-159.700112.6Y636 A637 L641 F642 H643 R744Y636-E639 WeakPolarHBondContact O-CB 3.42Å; Y636-E639 PolarHBondContact O-N 3.02Å; Y636-E639 VanDerWaalsContact O-N 3.15Å; A637-E639 VanDerWaalsContact C-N 3.28Å; A637-E639 PolarHBondContact O-N 2.83Å; E639-L641 PolarHBondContact O-N 2.7Å; E639-F642 WeakPolarHBondContact O-CB 3.28Å; E639-F642 PolarHBondContact O-N 3.44Å; E639-H643 WeakPolarHBondContact O-CB 3.48Å; E639-H643 PolarHBondContact O-CD2 3.45Å; E639-H643 PolarHBondContact O-N 2.91Å; E639-R744 IonicContact OE2-CZ 3.46Å; E639-R744 IonicContact OE2-NE 3.6Å; E639-R744 IonicContact OE2-NH2 2.8Å; E639-R744 PolarHBondContact OE2-NH2 2.9Å
640V90.7Very high89.3Confident28 Ų2840.8 Ų40.817%0.1721%0.214CC..Hα-helixtrans-59.5-49179.4170.60000111.3V590 V593 Y636 A637 K638 F642 C644V590-V640 HydrophobicContact CB-CG1 4.26Å; V590-V640 HydrophobicContact CG1-CG1 4.42Å; V590-V640 HydrophobicContact CG2-CG1 3.72Å; V590-V640 HydrophobicContact CG2-CG2 4.07Å; V593-V640 HydrophobicContact CB-CG1 4.39Å; V593-V640 HydrophobicContact CG1-CG1 4.19Å; Y636-V640 HydrophobicContact CD2-CG2 4.06Å; Y636-V640 WeakPolarHBondContact O-CG2 3.37Å; Y636-V640 PolarHBondContact O-N 3.06Å; A637-V640 PolarHBondContact O-N 2.87Å; K638-V640 PolarHBondContact O-N 3.09Å; V640-F642 VanDerWaalsContact C-N 3.32Å; V640-F642 PolarHBondContact O-N 3.3Å; V640-C644 WeakPolarHBondContact O-CB 3.44Å; V640-C644 PolarHBondContact O-N 3.47Å; V640-C644 PolarHBondContact O-SG 3.1Å
641L93.8Very high89.3Confident0 Ų043.9 Ų43.90%023%0.228CC..Hα-helixtrans-64-41.3177.8175.758.1000111.4V593 V597 V626 V627 V630 A637 K638 E639 C644 L645 L725V593-L641 HydrophobicContact CG1-CB 4.05Å; V593-L641 HydrophobicContact CG1-CD1 3.79Å; V597-L641 HydrophobicContact CG2-CD1 3.71Å; V626-L641 HydrophobicContact CG1-CD1 4.09Å; V626-L641 HydrophobicContact CG1-CD2 4.03Å; V626-L641 HydrophobicContact CG2-CD1 3.81Å; V626-L641 HydrophobicContact CG2-CD2 4.1Å; V627-L641 HydrophobicContact CG2-CD2 4.27Å; V630-L641 HydrophobicContact CB-CD2 4.28Å; V630-L641 HydrophobicContact CG1-CB 4.45Å; V630-L641 HydrophobicContact CG1-CD2 4.49Å; V630-L641 HydrophobicContact CG2-CB 4.09Å; V630-L641 HydrophobicContact CG2-CD2 4.07Å; A637-L641 PolarHBondContact O-N 3.24Å; A637-L641 VanDerWaalsContact O-N 3.15Å; K638-L641 PolarHBondContact O-N 3.07Å; E639-L641 PolarHBondContact O-N 2.7Å; L641-C644 PolarHBondContact O-N 2.91Å; L641-L645 HydrophobicContact CD1-CD1 3.83Å; L641-L645 HydrophobicContact CD1-CG 3.86Å; L641-L645 HydrophobicContact CG-CD1 3.88Å; L641-L645 HydrophobicContact CG-CG 4.37Å; L641-L645 WeakPolarHBondContact O-CB 3.45Å; L641-L645 WeakPolarHBondContact O-CG 3.48Å; L641-L645 PolarHBondContact O-N 3.38Å; L641-L725 HydrophobicContact CD2-CD1 3.7Å; L641-L725 HydrophobicContact CD2-CD2 3.92Å; L641-L725 HydrophobicContact CD2-CG 4.2Å; L641-L725 HydrophobicContact CG-CD1 3.89Å
642F88.9Confident89.1Confident4 Ų446.9 Ų46.92%0.01825%0.245CC..Hα-helixtrans-59.2-49.1178.9-150-92.2000112.6K638 E639 V640 L646 I722 L725 L745 L748K638-F642 VanDerWaalsContact O-CB 3.27Å; K638-F642 WeakPolarHBondContact O-CB 3.45Å; K638-F642 PolarHBondContact O-N 3.37Å; E639-F642 WeakPolarHBondContact O-CB 3.28Å; E639-F642 PolarHBondContact O-N 3.44Å; V640-F642 VanDerWaalsContact C-N 3.32Å; V640-F642 PolarHBondContact O-N 3.3Å; F642-L646 HydrophobicContact CD1-CD1 3.76Å; F642-L646 HydrophobicContact CE1-CD1 3.38Å; F642-L646 HydrophobicContact CE1-CG 4.44Å; F642-L646 HydrophobicContact CZ-CD1 4.25Å; F642-L646 PolarHBondContact O-N 3.46Å; F642-L646 VanDerWaalsContact O-N 3.15Å; F642-I722 HydrophobicContact CD2-CD1 4.3Å; F642-I722 HydrophobicContact CE2-CD1 3.94Å; F642-I722 HydrophobicContact CE2-CG2 4.01Å; F642-I722 HydrophobicContact CZ-CD1 4.35Å; F642-I722 HydrophobicContact CZ-CG2 4.29Å; F642-L725 HydrophobicContact CD2-CD1 4.47Å; F642-L745 VanDerWaalsContact CE1-CA 3.48Å; F642-L745 HydrophobicContact CE1-CB 3.84Å; F642-L745 HydrophobicContact CE1-CD1 3.75Å; F642-L745 HydrophobicContact CE1-CG 4.33Å; F642-L745 HydrophobicContact CE2-CB 4.28Å; F642-L745 HydrophobicContact CZ-CB 3.34Å; F642-L745 HydrophobicContact CZ-CD1 3.36Å; F642-L745 HydrophobicContact CZ-CD2 4.21Å; F642-L745 HydrophobicContact CZ-CG 3.72Å; F642-L748 HydrophobicContact CD1-CD2 3.73Å; F642-L748 HydrophobicContact CE1-CD2 4.16Å
643H89.4Confident89.1Confident75 Ų7547 Ų4735%0.34725%0.245SC..Hα-helixtrans-63.4-42.4175.5-79.3-68.5000112.2E639 S647 R744 L748E639-H643 WeakPolarHBondContact O-CB 3.48Å; E639-H643 PolarHBondContact O-CD2 3.45Å; E639-H643 PolarHBondContact O-N 2.91Å; H643-S647 VanDerWaalsContact O-CB 3.31Å; H643-S647 WeakPolarHBondContact O-CB 3.31Å; H643-S647 PolarHBondContact O-N 3.04Å; H643-R744 PolarHBondContact NE2-NH2 3.32Å; H643-L748 VanDerWaalsContact CE1-CD1 3.48Å; H643-L748 WeakPolarHBondContact CE1-CD1 3.33Å; H643-L748 VanDerWaalsContact ND1-CD2 3.33Å; H643-L748 WeakPolarHBondContact ND1-CD2 3.48Å
644C93.7Very high89.2Confident17 Ų1746.4 Ų46.412%0.11524%0.243CC..Hα-helixtrans-63.9-46.1178.9-69.50000111.9V593 V597 V640 L641 L646 S647 Y648V593-C644 HydrophobicContact CG1-CB 4.05Å; V597-C644 HydrophobicContact CG2-CB 4.1Å; V640-C644 WeakPolarHBondContact O-CB 3.44Å; V640-C644 PolarHBondContact O-N 3.47Å; V640-C644 PolarHBondContact O-SG 3.1Å; L641-C644 PolarHBondContact O-N 2.91Å; C644-L646 PolarHBondContact O-N 3.44Å; C644-S647 PolarHBondContact O-N 2.9Å; C644-Y648 WeakPolarHBondContact O-CD2 3.45Å; C644-Y648 PolarHBondContact O-N 2.88Å; C644-Y648 VanDerWaalsContact O-N 3.16Å
645L94.7Very high89.4Confident0 Ų040.8 Ų40.80%022%0.218CC..Hα-helixtrans-59.8-46178.6-77.8169.8000111.8V597 F601 L641 A649 F718 I721 I722 L725V597-L645 HydrophobicContact CG1-CD2 4.25Å; V597-L645 HydrophobicContact CG2-CD2 3.91Å; V597-L645 HydrophobicContact CG2-CG 4.1Å; F601-L645 HydrophobicContact CE2-CD2 4.16Å; L641-L645 HydrophobicContact CD1-CD1 3.83Å; L641-L645 HydrophobicContact CD1-CG 3.86Å; L641-L645 HydrophobicContact CG-CD1 3.88Å; L641-L645 HydrophobicContact CG-CG 4.37Å; L641-L645 WeakPolarHBondContact O-CB 3.45Å; L641-L645 WeakPolarHBondContact O-CG 3.48Å; L641-L645 PolarHBondContact O-N 3.38Å; L645-A649 VanDerWaalsContact O-CB 3.3Å; L645-A649 WeakPolarHBondContact O-CB 3.18Å; L645-A649 PolarHBondContact O-N 3.39Å; L645-F718 HydrophobicContact CB-CE2 4.14Å; L645-F718 HydrophobicContact CD2-CE2 4.48Å; L645-I721 HydrophobicContact CD1-CG2 3.62Å; L645-I721 HydrophobicContact CD2-CG2 4.46Å; L645-I722 HydrophobicContact CB-CD1 4.16Å; L645-I722 HydrophobicContact CD1-CD1 3.67Å; L645-L725 HydrophobicContact CD1-CD1 3.81Å
646L92.2Very high89.7Confident1 Ų137.3 Ų37.31%0.00519%0.189CC..Hα-helixtrans-71.3-36.9-179.6-71.3170.1000112.4F642 C644 Y648 A649 F650 F718 L745 L748 L793F642-L646 HydrophobicContact CD1-CD1 3.76Å; F642-L646 HydrophobicContact CE1-CD1 3.38Å; F642-L646 HydrophobicContact CE1-CG 4.44Å; F642-L646 HydrophobicContact CZ-CD1 4.25Å; F642-L646 PolarHBondContact O-N 3.46Å; F642-L646 VanDerWaalsContact O-N 3.15Å; C644-L646 PolarHBondContact O-N 3.44Å; L646-Y648 PolarHBondContact O-N 3.11Å; L646-A649 PolarHBondContact O-N 3.27Å; L646-F650 HydrophobicContact CB-CD2 4.37Å; L646-F650 HydrophobicContact CD2-CD2 4.46Å; L646-F650 HydrophobicContact CD2-CE2 3.97Å; L646-F650 VanDerWaalsContact O-CD2 3.26Å; L646-F650 WeakPolarHBondContact O-CD2 3.4Å; L646-F650 PolarHBondContact O-N 3.03Å; L646-F718 HydrophobicContact CD2-CZ 4.13Å; L646-L745 HydrophobicContact CD1-CD1 4.48Å; L646-L748 HydrophobicContact CD1-CB 4.35Å; L646-L748 HydrophobicContact CD1-CD2 3.41Å; L646-L748 VanDerWaalsContact CD1-CD2 3.41Å; L646-L748 HydrophobicContact CD1-CG 3.82Å; L646-L793 HydrophobicContact CD2-CD1 3.62Å
647S91.1Very high89.6Confident67 Ų6737.3 Ų37.347%0.46919%0.188SC..Hα-helixtrans-54.6-51.7173.1-1720000111H643 C644 A649 F650 E651H643-S647 VanDerWaalsContact O-CB 3.31Å; H643-S647 WeakPolarHBondContact O-CB 3.31Å; H643-S647 PolarHBondContact O-N 3.04Å; C644-S647 PolarHBondContact O-N 2.9Å; S647-A649 PolarHBondContact O-N 3.5Å; S647-F650 PolarHBondContact O-N 3.44Å; S647-E651 WeakPolarHBondContact O-CG 3.34Å; S647-E651 PolarHBondContact O-N 3.29Å; S647-E651 VanDerWaalsContact O-N 3.16Å
648Y93.2Very high88.8Confident58 Ų5838 Ų3823%0.22719%0.192CC..Hα-helixtrans-68.6-31.7178-86.1-99.5000113.2V597 A598 F601 C644 L646 F650 S654V597-Y648 HydrophobicContact CG1-CD1 4.48Å; V597-Y648 HydrophobicContact CG1-CD2 3.6Å; V597-Y648 HydrophobicContact CG1-CE2 4.15Å; V597-Y648 HydrophobicContact CG1-CG 3.79Å; A598-Y648 HydrophobicContact CB-CE1 4.23Å; F601-Y648 HydrophobicContact CB-CD1 4.26Å; F601-Y648 HydrophobicContact CD1-CD1 4.49Å; F601-Y648 WeakPolarHBondContact CE1-O 3.34Å; F601-Y648 HydrophobicContact CG-CD1 4.19Å; F601-Y648 HydrophobicContact CG-CG 4.5Å; C644-Y648 WeakPolarHBondContact O-CD2 3.45Å; C644-Y648 PolarHBondContact O-N 2.88Å; C644-Y648 VanDerWaalsContact O-N 3.16Å; L646-Y648 PolarHBondContact O-N 3.11Å; Y648-F650 VanDerWaalsContact C-N 3.33Å; Y648-S654 VanDerWaalsContact O-CB 3.25Å; Y648-S654 WeakPolarHBondContact O-CB 3.32Å; Y648-S654 PolarHBondContact O-OG 3.22Å
649A92.5Very high87.2Confident0 Ų039 Ų390%021%0.208CC..Hα-helixtrans-68-34.8176.900000112.4F601 L645 L646 S647 S654 L656 F718 F789F601-A649 HydrophobicContact CE1-CB 4.45Å; F601-A649 HydrophobicContact CZ-CB 4.19Å; L645-A649 VanDerWaalsContact O-CB 3.3Å; L645-A649 WeakPolarHBondContact O-CB 3.18Å; L645-A649 PolarHBondContact O-N 3.39Å; L646-A649 PolarHBondContact O-N 3.27Å; S647-A649 PolarHBondContact O-N 3.5Å; A649-S654 WeakPolarHBondContact O-CB 3.5Å; A649-S654 PolarHBondContact O-OG 3.48Å; A649-L656 HydrophobicContact CB-CD1 3.87Å; A649-F718 HydrophobicContact CB-CE1 4.42Å; A649-F718 HydrophobicContact CB-CE2 3.77Å; A649-F718 HydrophobicContact CB-CZ 3.67Å; A649-F789 HydrophobicContact CB-CE1 4.38Å; A649-F789 HydrophobicContact CB-CE2 3.91Å; A649-F789 HydrophobicContact CB-CZ 3.7Å; A649-F789 WeakPolarHBondContact O-CZ 3.3Å
650F90.4Very high85.4Confident32 Ų3241.4 Ų41.414%0.1423%0.23CC..Hα-helixtrans-94.11.2-179.9-74.8-71000114.3L646 S647 Y648 R657 L749 T752 V753 V783 C787 F789 V790L646-F650 HydrophobicContact CB-CD2 4.37Å; L646-F650 HydrophobicContact CD2-CD2 4.46Å; L646-F650 HydrophobicContact CD2-CE2 3.97Å; L646-F650 VanDerWaalsContact O-CD2 3.26Å; L646-F650 WeakPolarHBondContact O-CD2 3.4Å; L646-F650 PolarHBondContact O-N 3.03Å; S647-F650 PolarHBondContact O-N 3.44Å; Y648-F650 VanDerWaalsContact C-N 3.33Å; F650-R657 PolarHBondContact O-NH2 3.47Å; F650-L749 HydrophobicContact CE2-CD1 4.19Å; F650-L749 HydrophobicContact CZ-CD1 3.8Å; F650-T752 HydrophobicContact CD2-CG2 4.27Å; F650-T752 HydrophobicContact CE2-CG2 4.41Å; F650-T752 WeakPolarHBondContact CE2-OG1 3.22Å; F650-V753 HydrophobicContact CE1-CG2 3.93Å; F650-V753 HydrophobicContact CZ-CG2 3.79Å; F650-V783 HydrophobicContact CE1-CG1 4.47Å; F650-C787 HydrophobicContact CE1-CB 4.3Å; F650-F789 HydrophobicContact CD1-CZ 4.24Å; F650-F789 HydrophobicContact CE1-CE2 4.21Å; F650-F789 HydrophobicContact CE1-CZ 4.1Å; F650-F789 HydrophobicContact CE2-CE2 4.17Å; F650-F789 AromaticContact CZ-CE2 3.93Å; F650-F789 HydrophobicContact CZ-CE2 3.93Å; F650-F789 HydrophobicContact CZ-CZ 4.26Å; F650-V790 HydrophobicContact CE1-CG2 3.9Å; F650-V790 HydrophobicContact CZ-CG2 3.82Å
651E90Very high82.9Confident65 Ų6547.1 Ų47.130%0.30425%0.252SS..SBendtrans-64.7153.4171.2-86.4169-170.600112.6S647 D653 S654 R657S647-E651 WeakPolarHBondContact O-CG 3.34Å; S647-E651 PolarHBondContact O-N 3.29Å; S647-E651 VanDerWaalsContact O-N 3.16Å; E651-D653 VanDerWaalsContact C-N 3.33Å; E651-D653 PolarHBondContact O-N 3.33Å; E651-S654 WeakPolarHBondContact O-CB 3.35Å; E651-S654 PolarHBondContact O-N 2.82Å; E651-R657 VanDerWaalsContact O-CD 3.31Å; E651-R657 WeakPolarHBondContact O-CD 3.15Å; E651-R657 VanDerWaalsContact O-CZ 3.3Å; E651-R657 PolarHBondContact O-NE 3.15Å
652D83.5Confident80.2Confident138 Ų13856.2 Ų56.274%0.73829%0.292SS*.THydrogen-bonded Turntrans-67.4-32-173.3-77.3-22.2000114.3S654 R657D652-S654 VanDerWaalsContact C-N 3.34Å; D652-R657 IonicContact OD1-CZ 3.99Å; D652-R657 VanDerWaalsContact OD1-CZ 3.29Å; D652-R657 IonicContact OD1-NH1 3.56Å; D652-R657 PolarHBondContact OD1-NH1 3.2Å; D652-R657 IonicContact OD1-NH2 3.58Å; D652-R657 PolarHBondContact OD1-NH2 3.08Å; D652-R657 VanDerWaalsContact OD1-NH2 3.1Å
653D84.6Confident77.5Confident99 Ų9963.6 Ų63.653%0.52933%0.327SS..THydrogen-bonded Turntrans-94.513177.671.6-47.5000112.9R605 E651R605-D653 IonicContact CZ-OD2 3.22Å; R605-D653 IonicContact NE-OD2 2.93Å; R605-D653 IonicContact NH2-OD2 2.67Å; R605-D653 PolarHBondContact NH2-OD2 2.77Å; E651-D653 VanDerWaalsContact C-N 3.33Å; E651-D653 PolarHBondContact O-N 3.33Å
654S90.2Very high74.7Confident6 Ų664.7 Ų64.74%0.04233%0.334CS..  trans-61.7131.3-177.4-169.80000111.7Y648 A649 E651 D652 L656 R657Y648-S654 VanDerWaalsContact O-CB 3.25Å; Y648-S654 WeakPolarHBondContact O-CB 3.32Å; Y648-S654 PolarHBondContact O-OG 3.22Å; A649-S654 WeakPolarHBondContact O-CB 3.5Å; A649-S654 PolarHBondContact O-OG 3.48Å; E651-S654 WeakPolarHBondContact O-CB 3.35Å; E651-S654 PolarHBondContact O-N 2.82Å; D652-S654 VanDerWaalsContact C-N 3.34Å; S654-L656 PolarHBondContact O-N 3.46Å; S654-L656 VanDerWaalsContact O-N 3.09Å; S654-R657 PolarHBondContact O-N 2.72Å; S654-R657 VanDerWaalsContact O-N 3.12Å
655P87.2Confident71.8Confident12 Ų1267.6 Ų67.68%0.07835%0.349CS..THydrogen-bonded Turntrans-65.6-12.617830.5-37.3000113.3F601 M604 R605 R714F601-P655 HydrophobicContact CD1-CG 3.9Å; M604-P655 HydrophobicContact CB-CB 4.34Å; M604-P655 HydrophobicContact CB-CG 4.02Å; M604-P655 HydrophobicContact CE-CG 4.39Å; R605-P655 HydrophobicContact CG-CB 3.88Å; R605-P655 HydrophobicContact CG-CG 4.05Å; P655-R714 WeakPolarHBondContact O-CD 3.42Å; P655-R714 PolarHBondContact O-NH1 3.48Å
656L87Confident69Low2 Ų274.6 Ų74.61%0.0138%0.381CS..THydrogen-bonded Turntrans-83.8-15.1177.4-66173.1000113.6F601 M604 A649 S654 R714 R715 F718 F789F601-L656 HydrophobicContact CE1-CD1 3.72Å; F601-L656 HydrophobicContact CE1-CG 4.26Å; F601-L656 HydrophobicContact CZ-CD1 3.84Å; M604-L656 HydrophobicContact SD-CD2 4.34Å; A649-L656 HydrophobicContact CB-CD1 3.87Å; S654-L656 PolarHBondContact O-N 3.46Å; S654-L656 VanDerWaalsContact O-N 3.09Å; L656-R714 HydrophobicContact CD2-CB 3.9Å; L656-R714 WeakPolarHBondContact CD2-O 3.45Å; L656-R715 HydrophobicContact CD2-CG 4.46Å; L656-F718 HydrophobicContact CD1-CB 3.8Å; L656-F718 HydrophobicContact CD1-CD1 3.86Å; L656-F718 HydrophobicContact CD1-CD2 3.6Å; L656-F718 HydrophobicContact CD1-CE1 4.34Å; L656-F718 HydrophobicContact CD1-CE2 4.1Å; L656-F718 HydrophobicContact CD1-CG 3.46Å; L656-F718 VanDerWaalsContact CD1-CG 3.46Å; L656-F718 HydrophobicContact CD1-CZ 4.45Å; L656-F718 HydrophobicContact CD2-CB 3.84Å; L656-F718 HydrophobicContact CD2-CG 4.35Å; L656-F718 HydrophobicContact CG-CB 4.48Å; L656-F789 HydrophobicContact CB-CD1 3.76Å; L656-F789 HydrophobicContact CB-CE1 3.8Å; L656-F789 HydrophobicContact CD1-CD1 4.43Å; L656-F789 HydrophobicContact CD1-CE1 4.5Å
657R84.2Confident66.2Low68 Ų6881.3 Ų81.326%0.25742%0.417SS..SBendtrans-77.5139.4177.9-74.9-177169.4-163.49.1110.7F650 E651 D652 S654 T786F650-R657 PolarHBondContact O-NH2 3.47Å; E651-R657 VanDerWaalsContact O-CD 3.31Å; E651-R657 WeakPolarHBondContact O-CD 3.15Å; E651-R657 VanDerWaalsContact O-CZ 3.3Å; E651-R657 PolarHBondContact O-NE 3.15Å; D652-R657 IonicContact OD1-CZ 3.99Å; D652-R657 VanDerWaalsContact OD1-CZ 3.29Å; D652-R657 IonicContact OD1-NH1 3.56Å; D652-R657 PolarHBondContact OD1-NH1 3.2Å; D652-R657 IonicContact OD1-NH2 3.58Å; D652-R657 PolarHBondContact OD1-NH2 3.08Å; D652-R657 VanDerWaalsContact OD1-NH2 3.1Å; S654-R657 PolarHBondContact O-N 2.72Å; S654-R657 VanDerWaalsContact O-N 3.12Å; R657-T786 WeakPolarHBondContact CA-O 3.43Å; R657-T786 HydrophobicContact CB-CG2 4.36Å; R657-T786 HydrophobicContact CG-CG2 4.34Å
658V71.2Confident63.5Low14 Ų1479.2 Ų79.29%0.08540%0.402CS..PPolyproline II helixtrans-91.1122.2171.2179.80000107.4L665 V711 T786 P788V658-L665 HydrophobicContact CG1-CG 4.49Å; V658-V711 HydrophobicContact CG2-CG1 3.79Å; V658-T786 PolarHBondContact N-O 3.27Å; V658-P788 HydrophobicContact CG2-CG 3.66Å
659A57.4Low60.8Low59 Ų5981.1 Ų81.149%0.48842%0.415SS..PPolyproline II helixtrans-56143.3173.400000109.3K661A659-K661 PolarHBondContact O-N 3.27Å
660P47.4Very low58.2Low124 Ų12481.6 Ų81.681%0.80542%0.419SS*.SBendtrans-68.422.6179.327.6-34.4000114K662P660-K662 PolarHBondContact O-N 3.16Å; P660-K662 VanDerWaalsContact O-N 3.08Å
661K39.1Very low56Low148 Ų14882.3 Ų82.364%0.64343%0.428SS*.  trans-64.8109.6168.3-76.7-170.7176.2-177.10107.9A659 E663 L664A659-K661 PolarHBondContact O-N 3.27Å; K661-E663 PolarHBondContact O-N 3.49Å; K661-L664 PolarHBondContact O-N 3.41Å
662K35.7Very low53.8Low191 Ų19180 Ų8083%0.8342%0.417SS*.THydrogen-bonded Turntrans-47.3-23.9179.3-84.2-179.8169.7-178.50114.8P660P660-K662 PolarHBondContact O-N 3.16Å; P660-K662 VanDerWaalsContact O-N 3.08Å
663E32.1Very low51.8Low160 Ų16074.9 Ų74.975%0.74839%0.39SS*.THydrogen-bonded Turntrans-85.1-16.8-167.3-66.1175.2171.700115.3K661K661-E663 PolarHBondContact O-N 3.49Å
664L32.4Very low49.7Very low97 Ų9774.7 Ų74.751%0.50838%0.384SS..SBendtrans-91.9-25.2-174.3-78.5165.6000114.5K661 E666 V668K661-L664 PolarHBondContact O-N 3.41Å; L664-E666 VanDerWaalsContact C-N 3.31Å; L664-E666 PolarHBondContact O-N 3Å; L664-V668 WeakPolarHBondContact O-CG2 3.42Å; L664-V668 PolarHBondContact O-N 3.15Å
665L32.1Very low47.2Very low79 Ų7977.5 Ų77.541%0.41440%0.397SS..THydrogen-bonded Turntrans-73.6-22-178-83.2163.2000113.5V658 N667V658-L665 HydrophobicContact CG1-CG 4.49Å; L665-N667 VanDerWaalsContact C-N 3.35Å
666E34.7Very low44.9Very low147 Ų14780 Ų8069%0.68741%0.41SS*.THydrogen-bonded Turntrans-70.5-30.5178.6-71.1-176.3175.800112.5L664L664-E666 VanDerWaalsContact C-N 3.31Å; L664-E666 PolarHBondContact O-N 3Å
667N35Very low42.4Very low141 Ų14183.8 Ų83.875%0.75443%0.429SS*.THydrogen-bonded Turntrans-106.2-13.4-173.1-71.2-31.2000114.9L665 D669L665-N667 VanDerWaalsContact C-N 3.35Å; N667-D669 PolarHBondContact O-N 3.5Å
668V34.8Very low39.9Very low24 Ų2484.6 Ų84.615%0.14544%0.438CS..  trans-9090.6172.9-163.20000108.2L664 C670 S709 V712L664-V668 WeakPolarHBondContact O-CG2 3.42Å; L664-V668 PolarHBondContact O-N 3.15Å; V668-C670 VanDerWaalsContact CB-SG 3.51Å; V668-C670 HydrophobicContact CG1-CB 4.42Å; V668-C670 WeakPolarHBondContact CG1-SG 3.25Å; V668-C670 WeakPolarHBondContact O-CA 3.19Å; V668-C670 WeakPolarHBondContact O-CB 3.49Å; V668-C670 PolarHBondContact O-N 3.02Å; V668-C670 PolarHBondContact O-SG 3.19Å; V668-S709 WeakPolarHBondContact CG1-OG 3.39Å; V668-V712 HydrophobicContact CG1-CG2 3.56Å
669D35.2Very low38.1Very low97 Ų9790.8 Ų90.852%0.51947%0.47SS..  trans-63.383.8172.9-141.5-12.9000108.3N667 S671 K674N667-D669 PolarHBondContact O-N 3.5Å; D669-S671 PolarHBondContact O-N 3.41Å; D669-K674 IonicContact OD1-NZ 3.44Å; D669-K674 PolarHBondContact OD1-NZ 3.32Å; D669-K674 VanDerWaalsContact OD1-NZ 3.11Å; D669-K674 IonicContact OD2-NZ 3.82Å
670C38.2Very low36.8Very low11 Ų1190.6 Ų90.67%0.07447%0.465CS..  trans-93.215-146.3-107.90000117.1V668 I672 R715V668-C670 VanDerWaalsContact CB-SG 3.51Å; V668-C670 HydrophobicContact CG1-CB 4.42Å; V668-C670 WeakPolarHBondContact CG1-SG 3.25Å; V668-C670 WeakPolarHBondContact O-CA 3.19Å; V668-C670 WeakPolarHBondContact O-CB 3.49Å; V668-C670 PolarHBondContact O-N 3.02Å; V668-C670 PolarHBondContact O-SG 3.19Å; C670-I672 PolarHBondContact O-N 3.02Å; C670-R715 PolarHBondContact O-NH1 3.44Å; C670-R715 PolarHBondContact O-NH2 3.46Å; C670-R715 PolarHBondContact SG-NH1 3.15Å
671S43.7Very low35.9Very low47 Ų4788.7 Ų88.733%0.32945%0.446SS..  trans-86107158.561.50000106.4D669 L673 K674 Q675D669-S671 PolarHBondContact O-N 3.41Å; S671-L673 CarbonylContact O-C 3.12Å; S671-L673 PolarHBondContact O-N 3.42Å; S671-K674 WeakPolarHBondContact O-CA 3.44Å; S671-K674 WeakPolarHBondContact O-CB 3.4Å; S671-K674 PolarHBondContact O-N 3.18Å; S671-K674 WeakPolarHBondContact OG-CB 3.4Å; S671-K674 PolarHBondContact OG-N 3.15Å; S671-Q675 PolarHBondContact O-N 3.23Å; S671-Q675 VanDerWaalsContact O-N 3.1Å
672I44.5Very low35.3Very low16 Ų1688.9 Ų88.98%0.08245%0.453CS..Hα-helixtrans-40.6-31.2156.8-78.4155.5000110.2C670 Q675 N676 V712 R715 L716C670-I672 PolarHBondContact O-N 3.02Å; I672-Q675 PolarHBondContact O-N 3.21Å; I672-N676 WeakPolarHBondContact O-CB 3.19Å; I672-N676 VanDerWaalsContact O-CG 3.28Å; I672-N676 PolarHBondContact O-N 2.91Å; I672-N676 PolarHBondContact O-ND2 3.35Å; I672-V712 HydrophobicContact CD1-CG1 4.31Å; I672-V712 HydrophobicContact CG1-CG1 3.65Å; I672-R715 HydrophobicContact CD1-CB 3.9Å; I672-L716 HydrophobicContact CB-CD2 4.29Å; I672-L716 HydrophobicContact CD1-CD2 3.94Å; I672-L716 HydrophobicContact CD1-CG 3.66Å; I672-L716 HydrophobicContact CG1-CD1 4.39Å; I672-L716 HydrophobicContact CG1-CD2 4.03Å; I672-L716 HydrophobicContact CG1-CG 3.85Å; I672-L716 HydrophobicContact CG2-CD2 3.32Å; I672-L716 HydrophobicContact CG2-CG 4.1Å
673L41.9Very low34.8Very low30 Ų3088.6 Ų88.616%0.15745%0.452CS..Hα-helixtrans-73-36.2171-67.1171.5000115.9S671 Q675 N676 L677 L795S671-L673 CarbonylContact O-C 3.12Å; S671-L673 PolarHBondContact O-N 3.42Å; L673-Q675 PolarHBondContact O-N 3.19Å; L673-N676 HydrophobicContact CD2-CB 4.36Å; L673-N676 CarbonylContact O-C 3.15Å; L673-N676 PolarHBondContact O-N 3.01Å; L673-L677 WeakPolarHBondContact O-CA 3.25Å; L673-L677 WeakPolarHBondContact O-CB 3.27Å; L673-L677 PolarHBondContact O-N 3.48Å; L673-L795 HydrophobicContact CD1-CD1 4.19Å
674K39.3Very low34.5Very low95 Ų9590.3 Ų90.341%0.41345%0.453SS..Hα-helixtrans-59.8-37.7165.9-112.2-176.6172.1-1770110.5D669 S671 L677 L678D669-K674 IonicContact OD1-NZ 3.44Å; D669-K674 PolarHBondContact OD1-NZ 3.32Å; D669-K674 VanDerWaalsContact OD1-NZ 3.11Å; D669-K674 IonicContact OD2-NZ 3.82Å; S671-K674 WeakPolarHBondContact O-CA 3.44Å; S671-K674 WeakPolarHBondContact O-CB 3.4Å; S671-K674 PolarHBondContact O-N 3.18Å; S671-K674 WeakPolarHBondContact OG-CB 3.4Å; S671-K674 PolarHBondContact OG-N 3.15Å; K674-L677 CarbonylContact O-C 3.59Å; K674-L677 PolarHBondContact O-N 3.48Å; K674-L678 WeakPolarHBondContact O-CB 3.33Å; K674-L678 WeakPolarHBondContact O-CD1 3.42Å; K674-L678 VanDerWaalsContact O-CG 3.25Å; K674-L678 WeakPolarHBondContact O-CG 3.41Å; K674-L678 PolarHBondContact O-N 3.43Å
675Q39.1Very low34.1Very low65 Ų6595.7 Ų95.730%0.30447%0.466SS..Hα-helixtrans-67.8-43.7175.8-77.6-176.7-21.900111.6S671 I672 L673 L677 L678 L679S671-Q675 PolarHBondContact O-N 3.23Å; S671-Q675 VanDerWaalsContact O-N 3.1Å; I672-Q675 PolarHBondContact O-N 3.21Å; L673-Q675 PolarHBondContact O-N 3.19Å; Q675-L677 VanDerWaalsContact C-N 3.25Å; Q675-L677 PolarHBondContact O-N 3.3Å; Q675-L678 PolarHBondContact O-N 3.49Å; Q675-L679 WeakPolarHBondContact O-CB 3.48Å; Q675-L679 PolarHBondContact O-N 2.99Å
676N37.6Very low33.7Very low66 Ų6698.7 Ų98.735%0.35348%0.483SS..Hα-helixtrans-63.4-32.6171.9-70.6-23.8000112.1I672 L673 S680I672-N676 WeakPolarHBondContact O-CB 3.19Å; I672-N676 VanDerWaalsContact O-CG 3.28Å; I672-N676 PolarHBondContact O-N 2.91Å; I672-N676 PolarHBondContact O-ND2 3.35Å; L673-N676 HydrophobicContact CD2-CB 4.36Å; L673-N676 CarbonylContact O-C 3.15Å; L673-N676 PolarHBondContact O-N 3.01Å; N676-S680 PolarHBondContact O-N 3.03Å
677L35.9Very low33Very low80 Ų80102.9 Ų102.942%0.41949%0.492SS..Hα-helixtrans-75.3-43177.1-150.186.3000110.7L673 K674 Q675 L679 S680 E681L673-L677 WeakPolarHBondContact O-CA 3.25Å; L673-L677 WeakPolarHBondContact O-CB 3.27Å; L673-L677 PolarHBondContact O-N 3.48Å; K674-L677 CarbonylContact O-C 3.59Å; K674-L677 PolarHBondContact O-N 3.48Å; Q675-L677 VanDerWaalsContact C-N 3.25Å; Q675-L677 PolarHBondContact O-N 3.3Å; L677-L679 VanDerWaalsContact C-N 3.35Å; L677-L679 PolarHBondContact O-N 3.3Å; L677-S680 WeakPolarHBondContact CA-OG 3.48Å; L677-S680 CarbonylContact O-C 3.49Å; L677-S680 WeakPolarHBondContact O-CA 3.41Å; L677-S680 WeakPolarHBondContact O-CB 3.44Å; L677-S680 PolarHBondContact O-N 3.22Å; L677-S680 PolarHBondContact O-OG 2.85Å; L677-E681 WeakPolarHBondContact CD2-OE1 3.19Å; L677-E681 HydrophobicContact CG-CG 4.34Å; L677-E681 WeakPolarHBondContact O-CB 3.12Å; L677-E681 WeakPolarHBondContact O-CG 3.41Å; L677-E681 PolarHBondContact O-N 3.23Å
678L30.7Very low32.4Very low85 Ų85101 Ų10145%0.44549%0.49SS..Hα-helixtrans-65.8-37.2178.7-82162.2000111.3K674 Q675 S680 E681 L682K674-L678 WeakPolarHBondContact O-CB 3.33Å; K674-L678 WeakPolarHBondContact O-CD1 3.42Å; K674-L678 VanDerWaalsContact O-CG 3.25Å; K674-L678 WeakPolarHBondContact O-CG 3.41Å; K674-L678 PolarHBondContact O-N 3.43Å; Q675-L678 PolarHBondContact O-N 3.49Å; L678-S680 PolarHBondContact O-N 2.87Å; L678-E681 PolarHBondContact O-N 3.1Å; L678-L682 PolarHBondContact O-N 2.99Å
679L33.5Very low31.9Very low144 Ų144107.9 Ų107.975%0.75452%0.524SS*.Hα-helixtrans-63.9-27.7169.6-81.1163.7000112.3Q675 L677Q675-L679 WeakPolarHBondContact O-CB 3.48Å; Q675-L679 PolarHBondContact O-N 2.99Å; L677-L679 VanDerWaalsContact C-N 3.35Å; L677-L679 PolarHBondContact O-N 3.3Å
680S30.6Very low31.3Very low56 Ų56111 Ų11139%0.39254%0.535SS..Hα-helixtrans-85.2-32.7172.578.90000113.6N676 L677 L678N676-S680 PolarHBondContact O-N 3.03Å; L677-S680 WeakPolarHBondContact CA-OG 3.48Å; L677-S680 CarbonylContact O-C 3.49Å; L677-S680 WeakPolarHBondContact O-CA 3.41Å; L677-S680 WeakPolarHBondContact O-CB 3.44Å; L677-S680 PolarHBondContact O-N 3.22Å; L677-S680 PolarHBondContact O-OG 2.85Å; L678-S680 PolarHBondContact O-N 2.87Å
681E26.9Very low30.6Very low84 Ų84116.5 Ų116.539%0.39357%0.573SS.*Hα-helixtrans-78.2-24.4-172.4-82.3-166.2-177.800113L677 L678 K683 Y684L677-E681 WeakPolarHBondContact CD2-OE1 3.19Å; L677-E681 HydrophobicContact CG-CG 4.34Å; L677-E681 WeakPolarHBondContact O-CB 3.12Å; L677-E681 WeakPolarHBondContact O-CG 3.41Å; L677-E681 PolarHBondContact O-N 3.23Å; L678-E681 PolarHBondContact O-N 3.1Å; E681-K683 PolarHBondContact O-N 3.47Å; E681-Y684 PolarHBondContact O-N 3.23Å
682L26.5Very low29.6Very low152 Ų152117.1 Ų117.180%0.79659%0.586SS**THydrogen-bonded Turntrans-62.4-0.4178.7-79176.1000114.4L678L678-L682 PolarHBondContact O-N 2.99Å
683K26.6Very low28.7Very low185 Ų185122 Ų12280%0.80462%0.617SS**THydrogen-bonded Turntrans-124.2-3.2170.2-76.3-169.8176.4-179.50118.1E681E681-K683 PolarHBondContact O-N 3.47Å
684Y26.1Very low28Very low195 Ų195127.8 Ų127.877%0.76565%0.648SS**  trans-134.131.5-169.7-80.9-80.9000116.6E681 N686E681-Y684 PolarHBondContact O-N 3.23Å; Y684-N686 PolarHBondContact O-N 3.37Å; Y684-N686 VanDerWaalsContact O-N 3.13Å
685R24Very low27.4Very low211 Ų211134 Ų13480%0.79667%0.668SS**SBendtrans-71.40.9175.9-118.2-173.8-170.7-173.33.3116.2
686N23Very low27.2Very low142 Ų142137.1 Ų137.176%0.75968%0.677SS**SBendtrans-142.7112.8-177.7-75-44.8000112.7Y684Y684-N686 PolarHBondContact O-N 3.37Å; Y684-N686 VanDerWaalsContact O-N 3.13Å
687R20.8Very low26.7Very low235 Ų235144.8 Ų144.889%0.88770%0.701SS**  trans101.4121160.4-60.1175.4171.2175.6-3.3117.3
688S21.9Very low26.4Very low101 Ų101148 Ų14871%0.70671%0.714SS**  trans79.9105.1163.2-45.50000113.8H690S688-H690 VanDerWaalsContact C-N 3.26Å
689I24.1Very low26.5Very low168 Ų168146.9 Ų146.986%0.86271%0.711SS**  31.561.861.6-44.6176.6000110.4
690H21.7Very low26.5Very low162 Ų162142.8 Ų142.875%0.7569%0.692SS**  trans-175124.3148.8-95.7-55.5000109.7S688S688-H690 VanDerWaalsContact C-N 3.26Å
691C24.6Very low26.5Very low127 Ų127143.3 Ų143.386%0.85869%0.694SS**  trans3392142.4-49.80000116
692G23.2Very low26.8Very low60 Ų60145.8 Ų145.862%0.61971%0.705SS**  trans-148.693.4177.800000111.1L694G692-L694 PolarHBondContact O-N 3.37Å
693T25.3Very low27.5Very low120 Ų120147 Ų14774%0.73670%0.704SS**  trans-2596.5155.229.90000112.1R695T693-R695 PolarHBondContact O-N 3.31Å
694L26.4Very low28.2Very low151 Ų151141.3 Ų141.379%0.79168%0.682SS**  trans-71.377.4162.5-79.8167.6000106.6G692 R696G692-L694 PolarHBondContact O-N 3.37Å; L694-R696 PolarHBondContact O-N 2.68Å
695R27.1Very low28.9Very low224 Ų224134.4 Ų134.485%0.84567%0.67SS**  trans-57.894.8158-72.5-171.5178.8-165.50.2105T693 R697T693-R695 PolarHBondContact O-N 3.31Å; R695-R697 VanDerWaalsContact C-N 3.28Å; R695-R697 PolarHBondContact O-N 3.37Å
696R34.6Very low29.9Very low132 Ų132131.3 Ų131.350%0.49867%0.669SS.*  trans-56.6109.1157.7-92.9-169.6-174.5155.313.1104.4L694 Q698 E799L694-R696 PolarHBondContact O-N 2.68Å; R696-Q698 PolarHBondContact O-N 3.1Å; R696-E799 IonicContact NH1-OE1 3.46Å
697R26.7Very low31.1Very low227 Ų227132 Ų13286%0.85767%0.673SS**  trans-49.5137.2160.7-74.1179.6173178.1-3.9105.2R695 V699R695-R697 VanDerWaalsContact C-N 3.28Å; R695-R697 PolarHBondContact O-N 3.37Å; R697-V699 PolarHBondContact O-N 3.32Å; R697-V699 VanDerWaalsContact O-N 3.11Å
698Q29.5Very low32.8Very low147 Ų147121.7 Ų121.769%0.68764%0.636SS**  trans-30.9126.9155.9-78.6168.5-37.300106.5R696 V700R696-Q698 PolarHBondContact O-N 3.1Å; Q698-V700 HydrophobicContact CB-CG2 3.58Å; Q698-V700 PolarHBondContact O-N 3.42Å
699V33.6Very low35.2Very low61 Ų61118.8 Ų118.837%0.3762%0.616SS.*  trans-67.271.7158-176.20000104R697 P701 L716R697-V699 PolarHBondContact O-N 3.32Å; R697-V699 VanDerWaalsContact O-N 3.11Å; V699-P701 WeakPolarHBondContact O-CD 3.29Å; V699-L716 HydrophobicContact CG1-CD2 4.43Å
700V32.3Very low37.9Very low59 Ų59111.4 Ų111.436%0.35858%0.579SS.*  trans-58.9125.2156.3-169.10000101.3Q698 H702Q698-V700 HydrophobicContact CB-CG2 3.58Å; Q698-V700 PolarHBondContact O-N 3.42Å; V700-H702 PolarHBondContact O-N 3.4Å
701P30.7Very low40.6Very low67 Ų67105.5 Ų105.544%0.43555%0.554SS.*  trans-68.557.7171.428-31.1000108.7A620 V699 F703A620-P701 HydrophobicContact CB-CG 4.09Å; V699-P701 WeakPolarHBondContact O-CD 3.29Å; P701-F703 PolarHBondContact O-N 3.15Å
702H34.4Very low43.1Very low135 Ų13599.6 Ų99.663%0.62551%0.514SS*.  trans-73.7109.1162.4-77.9-34.7000106.1V700 L704V700-H702 PolarHBondContact O-N 3.4Å; H702-L704 PolarHBondContact O-N 3.36Å
703F40.2Very low45.9Very low179 Ų17996.8 Ų96.879%0.78549%0.485SS*.  trans39.171.1154.6-53-77.9000112.6P701 G705P701-F703 PolarHBondContact O-N 3.15Å; F703-G705 PolarHBondContact O-N 2.88Å
704L41.1Very low48.9Very low65 Ų6593.1 Ų93.134%0.3446%0.457SS..  trans-48.4114.3154.7-75.5172.3000106.1M616 H702 T708 A713 L716M616-L704 HydrophobicContact CE-CD1 3.64Å; H702-L704 PolarHBondContact O-N 3.36Å; L704-T708 HydrophobicContact CD1-CG2 4.26Å; L704-T708 HydrophobicContact CD2-CG2 4.12Å; L704-A713 HydrophobicContact CD1-CB 4.38Å; L704-L716 HydrophobicContact CD1-CD1 3.68Å; L704-L716 HydrophobicContact CD2-CD1 3.57Å; L704-L716 HydrophobicContact CG-CD1 4.22Å
705G40.5Very low51.7Low49 Ų4986.2 Ų86.251%0.50542%0.421SS..  trans-55.6151.4178.700000109.2F703 N707 T708F703-G705 PolarHBondContact O-N 2.88Å; G705-N707 PolarHBondContact O-N 3.09Å; G705-T708 PolarHBondContact O-N 3.21Å; G705-T708 PolarHBondContact O-OG1 2.85Å
706N46.9Very low54.4Low147 Ų14776.5 Ų76.579%0.78639%0.385SS*.THydrogen-bonded Turntrans-52.1-6.5-175.2-649.4000115.3
707N47.8Very low56.9Low157 Ų15770.8 Ų70.884%0.8437%0.366SS*.THydrogen-bonded Turntrans-96.310.9178.9-66.9-3.4000114.2G705 S709G705-N707 PolarHBondContact O-N 3.09Å; N707-S709 PolarHBondContact O-N 3.12Å
708T55.5Low59.9Low18 Ų1860 Ų6011%0.1133%0.325CS..  trans-82.6118.8178.2-46.10000109.1L704 G705 V712L704-T708 HydrophobicContact CD1-CG2 4.26Å; L704-T708 HydrophobicContact CD2-CG2 4.12Å; G705-T708 PolarHBondContact O-N 3.21Å; G705-T708 PolarHBondContact O-OG1 2.85Å; T708-V712 HydrophobicContact CG2-CB 3.72Å; T708-V712 HydrophobicContact CG2-CG1 3.45Å; T708-V712 VanDerWaalsContact CG2-CG1 3.45Å
709S72.2Confident62.7Low39 Ų3954.2 Ų54.227%0.27330%0.298SS..  trans-60.8146.3177.773.60000110.8V668 N707 V711 V712 A713V668-S709 WeakPolarHBondContact CG1-OG 3.39Å; N707-S709 PolarHBondContact O-N 3.12Å; S709-V711 PolarHBondContact O-N 2.69Å; S709-V711 VanDerWaalsContact O-N 3.1Å; S709-V712 WeakPolarHBondContact O-CA 3.3Å; S709-V712 WeakPolarHBondContact O-CB 3.44Å; S709-V712 PolarHBondContact O-N 2.65Å; S709-V712 WeakPolarHBondContact OG-CG2 3.21Å; S709-V712 PolarHBondContact OG-N 2.94Å; S709-A713 PolarHBondContact O-N 3.2Å
710V81.6Confident65.2Low14 Ų1453.7 Ų53.79%0.08529%0.292CS..Hα-helixtrans-46.2-42.7176-173.90000112.5F607 D608 D609 V611 V712 A713 R714F607-V710 HydrophobicContact CB-CG1 3.65Å; F607-V710 VanDerWaalsContact O-CG1 3.3Å; F607-V710 WeakPolarHBondContact O-CG1 3.31Å; D608-V710 WeakPolarHBondContact O-CG2 3.25Å; D609-V710 VanDerWaalsContact CA-CG2 3.41Å; V611-V710 HydrophobicContact CG2-CG2 4.37Å; V710-V712 VanDerWaalsContact C-N 3.32Å; V710-V712 PolarHBondContact O-N 3.34Å; V710-A713 PolarHBondContact O-N 2.78Å; V710-R714 VanDerWaalsContact CG1-CZ 3.42Å; V710-R714 WeakPolarHBondContact O-CG 3.44Å; V710-R714 PolarHBondContact O-N 3.13Å
711V77.6Confident68Low38 Ų3851.1 Ų51.123%0.2328%0.276CS..Hα-helixtrans-61.5-41.6179.6179.70000111.1V658 S709 R715V658-V711 HydrophobicContact CG2-CG1 3.79Å; S709-V711 PolarHBondContact O-N 2.69Å; S709-V711 VanDerWaalsContact O-N 3.1Å; V711-R715 WeakPolarHBondContact O-CB 3.29Å; V711-R715 VanDerWaalsContact O-CG 3.27Å; V711-R715 WeakPolarHBondContact O-CG 3.14Å; V711-R715 PolarHBondContact O-N 3.44Å; V711-R715 VanDerWaalsContact O-N 3.15Å
712V78.2Confident70.9Confident2 Ų247.9 Ų47.91%0.01226%0.255CS..Hα-helixtrans-70-41.8178.3172.80000110.8V668 I672 T708 S709 V710 R715 L716V668-V712 HydrophobicContact CG1-CG2 3.56Å; I672-V712 HydrophobicContact CD1-CG1 4.31Å; I672-V712 HydrophobicContact CG1-CG1 3.65Å; T708-V712 HydrophobicContact CG2-CB 3.72Å; T708-V712 HydrophobicContact CG2-CG1 3.45Å; T708-V712 VanDerWaalsContact CG2-CG1 3.45Å; S709-V712 WeakPolarHBondContact O-CA 3.3Å; S709-V712 WeakPolarHBondContact O-CB 3.44Å; S709-V712 PolarHBondContact O-N 2.65Å; S709-V712 WeakPolarHBondContact OG-CG2 3.21Å; S709-V712 PolarHBondContact OG-N 2.94Å; V710-V712 VanDerWaalsContact C-N 3.32Å; V710-V712 PolarHBondContact O-N 3.34Å; V712-R715 PolarHBondContact O-N 3.16Å; V712-L716 HydrophobicContact CG1-CD1 4.01Å; V712-L716 HydrophobicContact CG1-CG 4.46Å; V712-L716 WeakPolarHBondContact O-CB 3.27Å; V712-L716 WeakPolarHBondContact O-CG 3.43Å; V712-L716 PolarHBondContact O-N 2.67Å
713A81.4Confident73.5Confident1 Ų142.6 Ų42.61%0.00823%0.232CC..Hα-helixtrans-60.7-47177.300000112.4F607 V611 M616 L704 S709 V710 R715 L716 C717F607-A713 HydrophobicContact CD2-CB 4.19Å; F607-A713 HydrophobicContact CE2-CB 4.28Å; V611-A713 HydrophobicContact CG1-CB 4.5Å; V611-A713 HydrophobicContact CG2-CB 3.97Å; M616-A713 HydrophobicContact SD-CB 3.9Å; L704-A713 HydrophobicContact CD1-CB 4.38Å; S709-A713 PolarHBondContact O-N 3.2Å; V710-A713 PolarHBondContact O-N 2.78Å; A713-R715 PolarHBondContact O-N 3.42Å; A713-L716 WeakPolarHBondContact O-CB 3.48Å; A713-L716 PolarHBondContact O-N 3.31Å; A713-C717 PolarHBondContact O-N 2.85Å
714R87.8Confident75.7Confident44 Ų4436.9 Ų36.917%0.16621%0.207CC..Hα-helixtrans-60.6-45.6176.2-66173.11791609.3111.8M604 F607 P655 L656 V710 L716 C717 F718M604-R714 HydrophobicContact CB-CG 4.19Å; M604-R714 HydrophobicContact CG-CG 4.45Å; M604-R714 PolarHBondContact O-NE 2.94Å; M604-R714 HydrophobicContact SD-CB 4.18Å; F607-R714 HydrophobicContact CB-CG 4.48Å; F607-R714 HydrophobicContact CD2-CG 3.48Å; F607-R714 VanDerWaalsContact CD2-CG 3.48Å; F607-R714 HydrophobicContact CE2-CG 3.99Å; F607-R714 HydrophobicContact CG-CG 4.27Å; F607-R714 PolarHBondContact O-NH2 3.21Å; P655-R714 WeakPolarHBondContact O-CD 3.42Å; P655-R714 PolarHBondContact O-NH1 3.48Å; L656-R714 HydrophobicContact CD2-CB 3.9Å; L656-R714 WeakPolarHBondContact CD2-O 3.45Å; V710-R714 VanDerWaalsContact CG1-CZ 3.42Å; V710-R714 WeakPolarHBondContact O-CG 3.44Å; V710-R714 PolarHBondContact O-N 3.13Å; R714-L716 VanDerWaalsContact C-N 3.32Å; R714-L716 PolarHBondContact O-N 2.87Å; R714-C717 PolarHBondContact O-N 2.92Å; R714-F718 PolarHBondContact O-N 2.55Å; R714-F718 VanDerWaalsContact O-N 3.1Å
715R86.3Confident77.9Confident5 Ų533.9 Ų33.92%0.01919%0.192CC..Hα-helixtrans-59.7-42.9176.1-7717263.2-156.9-2.8111.6L656 C670 I672 V711 V712 A713 F718 I719 F789 D792L656-R715 HydrophobicContact CD2-CG 4.46Å; C670-R715 PolarHBondContact O-NH1 3.44Å; C670-R715 PolarHBondContact O-NH2 3.46Å; C670-R715 PolarHBondContact SG-NH1 3.15Å; I672-R715 HydrophobicContact CD1-CB 3.9Å; V711-R715 WeakPolarHBondContact O-CB 3.29Å; V711-R715 VanDerWaalsContact O-CG 3.27Å; V711-R715 WeakPolarHBondContact O-CG 3.14Å; V711-R715 PolarHBondContact O-N 3.44Å; V711-R715 VanDerWaalsContact O-N 3.15Å; V712-R715 PolarHBondContact O-N 3.16Å; A713-R715 PolarHBondContact O-N 3.42Å; R715-F718 PolarHBondContact O-N 3.36Å; R715-I719 VanDerWaalsContact O-CB 3.29Å; R715-I719 WeakPolarHBondContact O-CB 3.41Å; R715-I719 WeakPolarHBondContact O-CG1 3.14Å; R715-I719 PolarHBondContact O-N 3.04Å; R715-F789 HydrophobicContact CG-CB 4.41Å; R715-D792 IonicContact CZ-OD2 3.15Å; R715-D792 VanDerWaalsContact CZ-OD2 3.28Å; R715-D792 IonicContact NE-OD2 2.7Å; R715-D792 PolarHBondContact NE-OD2 2.8Å; R715-D792 VanDerWaalsContact NH2-CG 3.31Å; R715-D792 IonicContact NH2-OD1 3.52Å; R715-D792 PolarHBondContact NH2-OD1 3.22Å; R715-D792 VanDerWaalsContact NH2-OD1 3.14Å; R715-D792 IonicContact NH2-OD2 3.87Å; R715-D792 PolarHBondContact NH2-OD2 3.37Å
716L83.5Confident80.2Confident20 Ų2031.6 Ų31.611%0.10517%0.168CC..Hα-helixtrans-60-48.8177.4-86.3169.7000112.6I672 V699 L704 V712 A713 R714 F718 I719 H720I672-L716 HydrophobicContact CB-CD2 4.29Å; I672-L716 HydrophobicContact CD1-CD2 3.94Å; I672-L716 HydrophobicContact CD1-CG 3.66Å; I672-L716 HydrophobicContact CG1-CD1 4.39Å; I672-L716 HydrophobicContact CG1-CD2 4.03Å; I672-L716 HydrophobicContact CG1-CG 3.85Å; I672-L716 HydrophobicContact CG2-CD2 3.32Å; I672-L716 HydrophobicContact CG2-CG 4.1Å; V699-L716 HydrophobicContact CG1-CD2 4.43Å; L704-L716 HydrophobicContact CD1-CD1 3.68Å; L704-L716 HydrophobicContact CD2-CD1 3.57Å; L704-L716 HydrophobicContact CG-CD1 4.22Å; V712-L716 HydrophobicContact CG1-CD1 4.01Å; V712-L716 HydrophobicContact CG1-CG 4.46Å; V712-L716 WeakPolarHBondContact O-CB 3.27Å; V712-L716 WeakPolarHBondContact O-CG 3.43Å; V712-L716 PolarHBondContact O-N 2.67Å; A713-L716 WeakPolarHBondContact O-CB 3.48Å; A713-L716 PolarHBondContact O-N 3.31Å; R714-L716 VanDerWaalsContact C-N 3.32Å; R714-L716 PolarHBondContact O-N 2.87Å; L716-F718 VanDerWaalsContact C-N 3.34Å; L716-F718 PolarHBondContact O-N 3.47Å; L716-I719 PolarHBondContact O-N 2.89Å; L716-H720 VanDerWaalsContact O-CB 3.26Å; L716-H720 WeakPolarHBondContact O-CB 3.12Å; L716-H720 PolarHBondContact O-N 3.4Å
717C86.1Confident82Confident12 Ų1227.2 Ų27.28%0.08114%0.14CC..Hα-helixtrans-57.5-47.9176.9-720000111.6M604 M616 C619 A713 R714 I721M604-C717 HydrophobicContact SD-CB 4.2Å; M616-C717 WeakPolarHBondContact CE-SG 3.37Å; C619-C717 HydrophobicContact CB-CB 4.14Å; A713-C717 PolarHBondContact O-N 2.85Å; R714-C717 PolarHBondContact O-N 2.92Å; C717-I721 WeakPolarHBondContact O-CG1 3.38Å; C717-I721 PolarHBondContact O-N 2.88Å
718F91.3Very high83.3Confident1 Ų121.5 Ų21.50%0.00411%0.112CC..Hα-helixtrans-63.4-48.7179.8174.3-105000112.5F601 L645 L646 A649 L656 R714 R715 L716 H720 I721 I722 F789 L793F601-F718 HydrophobicContact CE2-CD2 4.41Å; F601-F718 AromaticContact CZ-CD2 3.98Å; F601-F718 HydrophobicContact CZ-CD2 3.98Å; F601-F718 HydrophobicContact CZ-CE2 4.13Å; L645-F718 HydrophobicContact CB-CE2 4.14Å; L645-F718 HydrophobicContact CD2-CE2 4.48Å; L646-F718 HydrophobicContact CD2-CZ 4.13Å; A649-F718 HydrophobicContact CB-CE1 4.42Å; A649-F718 HydrophobicContact CB-CE2 3.77Å; A649-F718 HydrophobicContact CB-CZ 3.67Å; L656-F718 HydrophobicContact CD1-CB 3.8Å; L656-F718 HydrophobicContact CD1-CD1 3.86Å; L656-F718 HydrophobicContact CD1-CD2 3.6Å; L656-F718 HydrophobicContact CD1-CE1 4.34Å; L656-F718 HydrophobicContact CD1-CE2 4.1Å; L656-F718 HydrophobicContact CD1-CG 3.46Å; L656-F718 VanDerWaalsContact CD1-CG 3.46Å; L656-F718 HydrophobicContact CD1-CZ 4.45Å; L656-F718 HydrophobicContact CD2-CB 3.84Å; L656-F718 HydrophobicContact CD2-CG 4.35Å; L656-F718 HydrophobicContact CG-CB 4.48Å; R714-F718 PolarHBondContact O-N 2.55Å; R714-F718 VanDerWaalsContact O-N 3.1Å; R715-F718 PolarHBondContact O-N 3.36Å; L716-F718 VanDerWaalsContact C-N 3.34Å; L716-F718 PolarHBondContact O-N 3.47Å; F718-H720 VanDerWaalsContact C-N 3.33Å; F718-H720 PolarHBondContact O-N 3.27Å; F718-I721 PolarHBondContact O-N 3.09Å; F718-I722 HydrophobicContact CE1-CG1 4.28Å; F718-I722 HydrophobicContact CE2-CG1 4.33Å; F718-I722 HydrophobicContact CZ-CD1 4.42Å; F718-I722 HydrophobicContact CZ-CG1 4.05Å; F718-I722 PolarHBondContact O-N 2.88Å; F718-F789 HydrophobicContact CD1-CB 4.35Å; F718-F789 HydrophobicContact CD1-CD2 4.44Å; F718-F789 HydrophobicContact CD1-CG 4.46Å; F718-F789 HydrophobicContact CE1-CB 4.44Å; F718-F789 AromaticContact CE1-CD2 3.77Å; F718-F789 HydrophobicContact CE1-CD2 3.77Å; F718-F789 HydrophobicContact CE1-CE2 4.33Å; F718-F789 HydrophobicContact CE1-CG 4.23Å; F718-F789 HydrophobicContact CZ-CD2 4.49Å; F718-L793 HydrophobicContact CE1-CD1 4.29Å; F718-L793 HydrophobicContact CE1-CD2 4.1Å; F718-L793 HydrophobicContact CE1-CG 4.44Å
719I88.3Confident83.9Confident25 Ų2525 Ų2513%0.12814%0.143CC..Hα-helixtrans-67.5-34.3-177.6-67.8-60.4000111.5R715 L716 I721 I722 D723 F789 D792 L793 I796R715-I719 VanDerWaalsContact O-CB 3.29Å; R715-I719 WeakPolarHBondContact O-CB 3.41Å; R715-I719 WeakPolarHBondContact O-CG1 3.14Å; R715-I719 PolarHBondContact O-N 3.04Å; L716-I719 PolarHBondContact O-N 2.89Å; I719-I721 VanDerWaalsContact C-N 3.3Å; I719-I721 PolarHBondContact O-N 2.79Å; I719-I722 PolarHBondContact O-N 3.42Å; I719-D723 WeakPolarHBondContact O-CB 3.48Å; I719-D723 PolarHBondContact O-N 3Å; I719-F789 HydrophobicContact CD1-CB 4.46Å; I719-D792 HydrophobicContact CD1-CB 3.47Å; I719-D792 VanDerWaalsContact CD1-CB 3.47Å; I719-D792 HydrophobicContact CG1-CB 3.71Å; I719-D792 HydrophobicContact CG2-CB 4.46Å; I719-L793 HydrophobicContact CD1-CD2 3.65Å; I719-L793 HydrophobicContact CD1-CG 4.06Å; I719-I796 HydrophobicContact CG2-CD1 3.99Å
720H86.3Confident83.3Confident50 Ų5028 Ų2823%0.23116%0.156CC..Hα-helixtrans-59.9-40.3175.7-177.168.4000112.4L716 F718 D723 E724L716-H720 VanDerWaalsContact O-CB 3.26Å; L716-H720 WeakPolarHBondContact O-CB 3.12Å; L716-H720 PolarHBondContact O-N 3.4Å; F718-H720 VanDerWaalsContact C-N 3.33Å; F718-H720 PolarHBondContact O-N 3.27Å; H720-D723 PolarHBondContact O-N 2.9Å; H720-E724 PolarHBondContact O-N 2.78Å
721I91.1Very high82Confident5 Ų533 Ų333%0.02619%0.192CC..Hα-helixtrans-66.6-45.4178.5-61.7166.2000110.7I600 V627 L645 C717 F718 I719 E724 L725I600-I721 HydrophobicContact CD1-CD1 4.03Å; I600-I721 HydrophobicContact CG2-CD1 4.19Å; V627-I721 HydrophobicContact CG2-CG2 3.82Å; L645-I721 HydrophobicContact CD1-CG2 3.62Å; L645-I721 HydrophobicContact CD2-CG2 4.46Å; C717-I721 WeakPolarHBondContact O-CG1 3.38Å; C717-I721 PolarHBondContact O-N 2.88Å; F718-I721 PolarHBondContact O-N 3.09Å; I719-I721 VanDerWaalsContact C-N 3.3Å; I719-I721 PolarHBondContact O-N 2.79Å; I721-E724 PolarHBondContact O-N 3.37Å; I721-L725 HydrophobicContact CG2-CD1 4.18Å; I721-L725 PolarHBondContact O-N 2.93Å; I721-L725 VanDerWaalsContact O-N 3.08Å
722I91.5Very high80.8Confident0 Ų036.4 Ų36.40%022%0.217CC..Hα-helixtrans-66.1-41.4178-62.1-68.8000111.3F642 L645 F718 I719 E724 L725 C726 L745 L793 I796F642-I722 HydrophobicContact CD2-CD1 4.3Å; F642-I722 HydrophobicContact CE2-CD1 3.94Å; F642-I722 HydrophobicContact CE2-CG2 4.01Å; F642-I722 HydrophobicContact CZ-CD1 4.35Å; F642-I722 HydrophobicContact CZ-CG2 4.29Å; L645-I722 HydrophobicContact CB-CD1 4.16Å; L645-I722 HydrophobicContact CD1-CD1 3.67Å; F718-I722 HydrophobicContact CE1-CG1 4.28Å; F718-I722 HydrophobicContact CE2-CG1 4.33Å; F718-I722 HydrophobicContact CZ-CD1 4.42Å; F718-I722 HydrophobicContact CZ-CG1 4.05Å; F718-I722 PolarHBondContact O-N 2.88Å; I719-I722 PolarHBondContact O-N 3.42Å; I722-E724 PolarHBondContact O-N 3.24Å; I722-L725 WeakPolarHBondContact O-CB 3.24Å; I722-L725 PolarHBondContact O-N 2.74Å; I722-C726 PolarHBondContact O-N 2.86Å; I722-C726 PolarHBondContact O-SG 3.41Å; I722-C726 VanDerWaalsContact O-SG 3.36Å; I722-L745 HydrophobicContact CG2-CD2 4.1Å; I722-L793 HydrophobicContact CB-CD2 4.21Å; I722-L793 HydrophobicContact CG1-CD2 4.15Å; I722-L793 HydrophobicContact CG2-CD2 3.74Å; I722-I796 HydrophobicContact CB-CD1 4.42Å; I722-I796 HydrophobicContact CG2-CD1 4Å
723D87.3Confident79.5Confident24 Ų2439.6 Ų39.613%0.12824%0.244CC..Hα-helixtrans-58.1-47.9176.6-176.174.6000110.9I719 H720 L725 C726 R727 Y737 I796I719-D723 WeakPolarHBondContact O-CB 3.48Å; I719-D723 PolarHBondContact O-N 3Å; H720-D723 PolarHBondContact O-N 2.9Å; D723-L725 PolarHBondContact O-N 2.63Å; D723-C726 PolarHBondContact O-N 3.3Å; D723-C726 VanDerWaalsContact O-N 3.15Å; D723-R727 WeakPolarHBondContact O-CG 3.42Å; D723-R727 PolarHBondContact O-N 3.3Å; D723-R727 IonicContact OD2-CZ 3.21Å; D723-R727 IonicContact OD2-NE 2.78Å; D723-R727 PolarHBondContact OD2-NE 2.98Å; D723-R727 IonicContact OD2-NH2 2.75Å; D723-R727 PolarHBondContact OD2-NH2 3.06Å; D723-Y737 VanDerWaalsContact OD1-CE1 3.25Å; D723-Y737 WeakPolarHBondContact OD1-CE1 3.42Å; D723-Y737 VanDerWaalsContact OD1-CZ 3.3Å; D723-Y737 PolarHBondContact OD1-OH 3.18Å; D723-I796 HydrophobicContact CB-CD1 4.12Å
724E86.8Confident78.2Confident59 Ų5942 Ų4228%0.27627%0.269SS..Hα-helixtrans-61.6-41.7177-16269.4-124.500112.3V627 H720 I721 I722 C726 R727V627-E724 HydrophobicContact CG1-CB 4.22Å; V627-E724 HydrophobicContact CG1-CG 3.74Å; H720-E724 PolarHBondContact O-N 2.78Å; I721-E724 PolarHBondContact O-N 3.37Å; I722-E724 PolarHBondContact O-N 3.24Å; E724-C726 PolarHBondContact O-N 2.76Å; E724-R727 PolarHBondContact O-N 3.4Å; E724-R727 IonicContact OE1-CZ 3.1Å; E724-R727 IonicContact OE1-NH1 2.7Å; E724-R727 PolarHBondContact OE1-NH1 3.17Å; E724-R727 IonicContact OE2-CZ 3.11Å; E724-R727 IonicContact OE2-NH1 2.78Å; E724-R727 PolarHBondContact OE2-NH1 3.09Å; E724-R727 IonicContact OE2-NH2 3.29Å; E724-R727 PolarHBondContact OE2-NH2 3.21Å
725L88.9Confident77Confident2 Ų242.1 Ų42.11%0.0128%0.279CS..Hα-helixtrans-60.6-32.7174.9-86.1157.1000113.4V627 V630 L641 F642 L645 I721 I722 D723V627-L725 HydrophobicContact CG2-CD1 4.4Å; V627-L725 HydrophobicContact CG2-CG 4.07Å; V630-L725 HydrophobicContact CG1-CD2 4.45Å; L641-L725 HydrophobicContact CD2-CD1 3.7Å; L641-L725 HydrophobicContact CD2-CD2 3.92Å; L641-L725 HydrophobicContact CD2-CG 4.2Å; L641-L725 HydrophobicContact CG-CD1 3.89Å; F642-L725 HydrophobicContact CD2-CD1 4.47Å; L645-L725 HydrophobicContact CD1-CD1 3.81Å; I721-L725 HydrophobicContact CG2-CD1 4.18Å; I721-L725 PolarHBondContact O-N 2.93Å; I721-L725 VanDerWaalsContact O-N 3.08Å; I722-L725 WeakPolarHBondContact O-CB 3.24Å; I722-L725 PolarHBondContact O-N 2.74Å; D723-L725 PolarHBondContact O-N 2.63Å
726C88.1Confident76.3Confident0 Ų047.4 Ų47.40%031%0.307CS..Hα-helixtrans-86.5-6.6-179.8-68.60000113.3I722 D723 E724 Y737 D738 I796I722-C726 PolarHBondContact O-N 2.86Å; I722-C726 PolarHBondContact O-SG 3.41Å; I722-C726 VanDerWaalsContact O-SG 3.36Å; D723-C726 PolarHBondContact O-N 3.3Å; D723-C726 VanDerWaalsContact O-N 3.15Å; E724-C726 PolarHBondContact O-N 2.76Å; C726-Y737 HydrophobicContact CB-CD1 3.83Å; C726-Y737 HydrophobicContact CB-CE1 4.32Å; C726-Y737 CarbonylContact O-C 3.6Å; C726-Y737 VanDerWaalsContact O-CA 3.29Å; C726-Y737 WeakPolarHBondContact O-CA 3.35Å; C726-Y737 WeakPolarHBondContact O-CD1 3.42Å; C726-D738 PolarHBondContact O-N 2.94Å; C726-I796 HydrophobicContact CB-CG2 3.93Å
727R84.5Confident76.2Confident56 Ų5647.6 Ų47.621%0.21131%0.307CS..BIsolated β-bridgetrans-71.6145.4179-74.4-176.5-163.1150.113.7112D723 E724 L736 Y737D723-R727 WeakPolarHBondContact O-CG 3.42Å; D723-R727 PolarHBondContact O-N 3.3Å; D723-R727 IonicContact OD2-CZ 3.21Å; D723-R727 IonicContact OD2-NE 2.78Å; D723-R727 PolarHBondContact OD2-NE 2.98Å; D723-R727 IonicContact OD2-NH2 2.75Å; D723-R727 PolarHBondContact OD2-NH2 3.06Å; E724-R727 PolarHBondContact O-N 3.4Å; E724-R727 IonicContact OE1-CZ 3.1Å; E724-R727 IonicContact OE1-NH1 2.7Å; E724-R727 PolarHBondContact OE1-NH1 3.17Å; E724-R727 IonicContact OE2-CZ 3.11Å; E724-R727 IonicContact OE2-NH1 2.78Å; E724-R727 PolarHBondContact OE2-NH1 3.09Å; E724-R727 IonicContact OE2-NH2 3.29Å; E724-R727 PolarHBondContact OE2-NH2 3.21Å; R727-L736 WeakPolarHBondContact CA-O 3.48Å; R727-Y737 HydrophobicContact CG-CE1 4.5Å
728S74.4Confident76.2Confident36 Ų3648.8 Ų48.825%0.25231%0.312SS..  trans-72.7134174.5-176.80000110.5D730 A735 L736S728-D730 VanDerWaalsContact C-N 3.28Å; S728-D730 PolarHBondContact OG-N 3.02Å; S728-A735 VanDerWaalsContact CB-O 3.22Å; S728-A735 WeakPolarHBondContact CB-O 3.31Å; S728-L736 PolarHBondContact N-O 3.01Å
729A68.9Low76Confident92 Ų9250.3 Ų50.376%0.7632%0.32SS*.SBendtrans-70.4-30169.200000111.6S731A729-S731 PolarHBondContact O-N 2.7Å; A729-S731 VanDerWaalsContact O-N 3.12Å
730D60.1Low76Confident102 Ų10251.4 Ų51.455%0.54533%0.328SS..  trans-85.186.5-176.4-73.8-17.6000110.7S728 S732 A733S728-D730 VanDerWaalsContact C-N 3.28Å; S728-D730 PolarHBondContact OG-N 3.02Å; D730-S732 PolarHBondContact O-N 3.4Å; D730-A733 HydrophobicContact CB-CB 4.24Å; D730-A733 PolarHBondContact O-N 2.88Å
731S54.3Low76.1Confident120 Ų12050.1 Ų50.184%0.83932%0.322SS*.G310 helixtrans-60.5-22170.7570000113.3A729 A733A729-S731 PolarHBondContact O-N 2.7Å; A729-S731 VanDerWaalsContact O-N 3.12Å; S731-A733 VanDerWaalsContact C-N 3.32Å; S731-A733 PolarHBondContact O-N 3.14Å
732S51.5Low76Confident109 Ų10949.9 Ų49.976%0.76232%0.321SS*.G310 helixtrans-67.6-29.3177.554.80000113.2D730 G734D730-S732 PolarHBondContact O-N 3.4Å; S732-G734 VanDerWaalsContact C-N 3.27Å; S732-G734 PolarHBondContact O-N 3.29Å
733A51.2Low76.1Confident68 Ų6851.5 Ų51.556%0.56233%0.329SS*.G310 helixtrans-79.5-4.9-174.600000113.7D730 S731 A735D730-A733 HydrophobicContact CB-CB 4.24Å; D730-A733 PolarHBondContact O-N 2.88Å; S731-A733 VanDerWaalsContact C-N 3.32Å; S731-A733 PolarHBondContact O-N 3.14Å; A733-A735 PolarHBondContact O-N 2.93Å
734G53.4Low76.2Confident53 Ų5354.1 Ų54.155%0.54634%0.337SS..  trans66.5-11.2-177.200000115.1S732S732-G734 VanDerWaalsContact C-N 3.27Å; S732-G734 PolarHBondContact O-N 3.29Å
735A64.1Low76.4Confident45 Ų4551.3 Ų51.337%0.37232%0.324SS..  trans-78.3120.3173.300000110.2S728 A733S728-A735 VanDerWaalsContact CB-O 3.22Å; S728-A735 WeakPolarHBondContact CB-O 3.31Å; A733-A735 PolarHBondContact O-N 2.93Å
736L71.7Confident76.5Confident117 Ų11751.2 Ų51.261%0.61332%0.323SS*.SBendtrans-71.7-32.3-180-176.364.5000112.5R727 S728R727-L736 WeakPolarHBondContact CA-O 3.48Å; S728-L736 PolarHBondContact N-O 3.01Å
737Y81.3Confident76.6Confident24 Ų2452.7 Ų52.79%0.09433%0.332CS..BIsolated β-bridgetrans-118.7142.9-175.3-69.7-88.1000111.8D723 C726 R727 I739 I796 E799D723-Y737 VanDerWaalsContact OD1-CE1 3.25Å; D723-Y737 WeakPolarHBondContact OD1-CE1 3.42Å; D723-Y737 VanDerWaalsContact OD1-CZ 3.3Å; D723-Y737 PolarHBondContact OD1-OH 3.18Å; C726-Y737 HydrophobicContact CB-CD1 3.83Å; C726-Y737 HydrophobicContact CB-CE1 4.32Å; C726-Y737 CarbonylContact O-C 3.6Å; C726-Y737 VanDerWaalsContact O-CA 3.29Å; C726-Y737 WeakPolarHBondContact O-CA 3.35Å; C726-Y737 WeakPolarHBondContact O-CD1 3.42Å; R727-Y737 HydrophobicContact CG-CE1 4.5Å; Y737-I739 PolarHBondContact O-N 3.16Å; Y737-I796 HydrophobicContact CD1-CG2 4.47Å; Y737-I796 HydrophobicContact CE1-CG2 4.23Å; Y737-E799 HydrophobicContact CD2-CB 3.34Å; Y737-E799 HydrophobicContact CD2-CG 3.95Å; Y737-E799 HydrophobicContact CE2-CB 3.46Å; Y737-E799 VanDerWaalsContact CE2-CB 3.46Å; Y737-E799 HydrophobicContact CE2-CG 3.48Å; Y737-E799 VanDerWaalsContact CE2-CG 3.48Å; Y737-E799 HydrophobicContact CG-CB 3.93Å
738D85.4Confident76.8Confident36 Ų3650.9 Ų50.919%0.19333%0.327CS..  trans-75.2114.5171.5-176.1-20.5000109.3C726 T740 M741 C742C726-D738 PolarHBondContact O-N 2.94Å; D738-T740 VanDerWaalsContact CG-OG1 3.3Å; D738-T740 PolarHBondContact O-N 3.01Å; D738-T740 WeakPolarHBondContact OD1-CB 3.39Å; D738-T740 PolarHBondContact OD1-N 2.95Å; D738-T740 PolarHBondContact OD1-OG1 3.38Å; D738-T740 PolarHBondContact OD2-OG1 3.16Å; D738-M741 HydrophobicContact CB-CB 4.2Å; D738-M741 HydrophobicContact CB-CG 4.08Å; D738-M741 PolarHBondContact O-N 3.07Å; D738-C742 PolarHBondContact O-N 3.39Å; D738-C742 PolarHBondContact O-SG 3.05Å
739I86.9Confident77.5Confident34 Ų3449.2 Ų49.217%0.17432%0.315CS..Hα-helixtrans-60.1-33.8-179.2-165.6176.5000112.4Y737 C742 H743 A800 Y801 Y913 I916 L917Y737-I739 PolarHBondContact O-N 3.16Å; I739-C742 PolarHBondContact O-N 3.19Å; I739-H743 WeakPolarHBondContact O-CB 3.41Å; I739-H743 PolarHBondContact O-N 3.49Å; I739-A800 HydrophobicContact CB-CB 4.46Å; I739-A800 HydrophobicContact CG1-CB 4.33Å; I739-Y801 VanDerWaalsContact CD1-O 3.29Å; I739-Y801 WeakPolarHBondContact CD1-O 3.43Å; I739-Y913 HydrophobicContact CD1-CD2 4.41Å; I739-Y913 HydrophobicContact CD1-CE2 4.38Å; I739-Y913 HydrophobicContact CG1-CE2 4.15Å; I739-I916 HydrophobicContact CD1-CB 4.2Å; I739-I916 HydrophobicContact CD1-CD1 4.14Å; I739-I916 HydrophobicContact CD1-CG2 3.44Å; I739-I916 VanDerWaalsContact CD1-CG2 3.44Å; I739-L917 HydrophobicContact CG2-CD2 3.94Å
740T88.3Confident78.5Confident48 Ų4845 Ų4529%0.29428%0.279SS..Hα-helixtrans-68.7-41.9-178.465.30000111.1D738 R744 L917D738-T740 VanDerWaalsContact CG-OG1 3.3Å; D738-T740 PolarHBondContact O-N 3.01Å; D738-T740 WeakPolarHBondContact OD1-CB 3.39Å; D738-T740 PolarHBondContact OD1-N 2.95Å; D738-T740 PolarHBondContact OD1-OG1 3.38Å; D738-T740 PolarHBondContact OD2-OG1 3.16Å; T740-R744 WeakPolarHBondContact O-CB 3.22Å; T740-R744 PolarHBondContact O-N 2.73Å; T740-L917 HydrophobicContact CG2-CD2 3.7Å
741M88.8Confident79.8Confident23 Ų2343.4 Ų43.411%0.11327%0.271CS..Hα-helixtrans-69.3-41.8177.3-64.5-61.612800111.4K638 D738 R744 L745K638-M741 HydrophobicContact CB-CE 4.22Å; K638-M741 HydrophobicContact CB-SD 3.82Å; K638-M741 HydrophobicContact CD-CE 3.8Å; K638-M741 HydrophobicContact CD-CG 4.44Å; K638-M741 HydrophobicContact CD-SD 3.76Å; K638-M741 HydrophobicContact CG-SD 4.44Å; D738-M741 HydrophobicContact CB-CB 4.2Å; D738-M741 HydrophobicContact CB-CG 4.08Å; D738-M741 PolarHBondContact O-N 3.07Å; M741-R744 PolarHBondContact O-N 3.42Å; M741-L745 WeakPolarHBondContact O-CB 3.44Å; M741-L745 PolarHBondContact O-N 2.94Å
742C89.6Confident81.3Confident0 Ų040.1 Ų40.10%025%0.246CC..Hα-helixtrans-66.2-39.3176.8-66.20000112.5D738 I739 L745 A746 A800 C803D738-C742 PolarHBondContact O-N 3.39Å; D738-C742 PolarHBondContact O-SG 3.05Å; I739-C742 PolarHBondContact O-N 3.19Å; C742-L745 WeakPolarHBondContact O-CB 3.34Å; C742-L745 PolarHBondContact O-N 3.42Å; C742-A746 PolarHBondContact O-N 3.42Å; C742-A800 HydrophobicContact CB-CB 3.58Å; C742-C803 HydrophobicContact CB-CB 4.04Å
743H91.6Very high83Confident34 Ų3435.2 Ų35.216%0.15721%0.211CC..Hα-helixtrans-62.3-45.4173.2168-108000110.7I739 L745 A746 V747 C803 F806 Y913I739-H743 WeakPolarHBondContact O-CB 3.41Å; I739-H743 PolarHBondContact O-N 3.49Å; H743-L745 VanDerWaalsContact C-N 3.34Å; H743-L745 PolarHBondContact O-N 3.16Å; H743-A746 PolarHBondContact O-N 3.44Å; H743-V747 WeakPolarHBondContact O-CG2 3.36Å; H743-V747 PolarHBondContact O-N 3.28Å; H743-C803 VanDerWaalsContact CA-SG 3.59Å; H743-C803 PolarHBondContact N-SG 2.65Å; H743-F806 AromaticContact CD2-CD1 3.88Å; H743-F806 AromaticContact CD2-CD2 3.62Å; H743-F806 AromaticContact CD2-CE1 3.66Å; H743-F806 AromaticContact CD2-CE2 3.38Å; H743-F806 WeakPolarHBondContact CD2-CE2 3.42Å; H743-F806 AromaticContact CD2-CG 3.85Å; H743-F806 AromaticContact CD2-CZ 3.38Å; H743-F806 WeakPolarHBondContact CD2-CZ 3.36Å; H743-F806 AromaticContact NE2-CD1 3.72Å; H743-F806 AromaticContact NE2-CE1 3.31Å; H743-F806 VanDerWaalsContact NE2-CE1 3.31Å; H743-F806 WeakPolarHBondContact NE2-CE1 3.45Å; H743-F806 AromaticContact NE2-CE2 3.92Å; H743-F806 AromaticContact NE2-CZ 3.4Å; H743-F806 WeakPolarHBondContact NE2-CZ 3.26Å; H743-Y913 HydrophobicContact CB-CD2 4.23Å; H743-Y913 HydrophobicContact CB-CE2 3.44Å; H743-Y913 VanDerWaalsContact CB-CE2 3.44Å; H743-Y913 AromaticContact CE1-CE1 3.73Å; H743-Y913 AromaticContact CE1-CZ 3.94Å; H743-Y913 AromaticContact CG-CE1 3.98Å; H743-Y913 AromaticContact CG-CE2 3.51Å; H743-Y913 AromaticContact CG-CZ 3.44Å; H743-Y913 VanDerWaalsContact CG-CZ 3.44Å; H743-Y913 AromaticContact ND1-CE1 3.63Å; H743-Y913 AromaticContact ND1-CE2 3.94Å; H743-Y913 AromaticContact ND1-CZ 3.35Å; H743-Y913 PolarHBondContact ND1-OH 2.84Å
744R89.7Confident84.6Confident79 Ų7932.2 Ų32.230%0.29819%0.186SC..Hα-helixtrans-61.9-41.8177.2-172.356.7158.9170.9-6.8112E639 H643 T740 M741 A746 V747 L748E639-R744 IonicContact OE2-CZ 3.46Å; E639-R744 IonicContact OE2-NE 3.6Å; E639-R744 IonicContact OE2-NH2 2.8Å; E639-R744 PolarHBondContact OE2-NH2 2.9Å; H643-R744 PolarHBondContact NE2-NH2 3.32Å; T740-R744 WeakPolarHBondContact O-CB 3.22Å; T740-R744 PolarHBondContact O-N 2.73Å; M741-R744 PolarHBondContact O-N 3.42Å; R744-A746 VanDerWaalsContact C-N 3.33Å; R744-A746 PolarHBondContact O-N 3.11Å; R744-V747 PolarHBondContact O-N 3.36Å; R744-L748 WeakPolarHBondContact O-CB 3.33Å; R744-L748 PolarHBondContact O-N 3.4Å
745L92Very high85.5Confident0 Ų033.7 Ų33.70%019%0.186CC..Hα-helixtrans-54.1-51.5171.8171.950.2000111.2F642 L646 I722 M741 C742 H743 V747 L748 L749 L793 I796F642-L745 VanDerWaalsContact CE1-CA 3.48Å; F642-L745 HydrophobicContact CE1-CB 3.84Å; F642-L745 HydrophobicContact CE1-CD1 3.75Å; F642-L745 HydrophobicContact CE1-CG 4.33Å; F642-L745 HydrophobicContact CE2-CB 4.28Å; F642-L745 HydrophobicContact CZ-CB 3.34Å; F642-L745 HydrophobicContact CZ-CD1 3.36Å; F642-L745 HydrophobicContact CZ-CD2 4.21Å; F642-L745 HydrophobicContact CZ-CG 3.72Å; L646-L745 HydrophobicContact CD1-CD1 4.48Å; I722-L745 HydrophobicContact CG2-CD2 4.1Å; M741-L745 WeakPolarHBondContact O-CB 3.44Å; M741-L745 PolarHBondContact O-N 2.94Å; C742-L745 WeakPolarHBondContact O-CB 3.34Å; C742-L745 PolarHBondContact O-N 3.42Å; H743-L745 VanDerWaalsContact C-N 3.34Å; H743-L745 PolarHBondContact O-N 3.16Å; L745-V747 PolarHBondContact O-N 3.17Å; L745-L748 PolarHBondContact O-N 3.47Å; L745-L749 HydrophobicContact CD1-CB 4.47Å; L745-L749 WeakPolarHBondContact O-CB 3.1Å; L745-L749 PolarHBondContact O-N 2.84Å; L745-L793 HydrophobicContact CD1-CB 4.07Å; L745-L793 HydrophobicContact CD1-CD1 4.18Å; L745-L793 HydrophobicContact CD1-CD2 4.05Å; L745-L793 HydrophobicContact CD1-CG 4.33Å; L745-L793 HydrophobicContact CD2-CB 4.45Å; L745-L793 HydrophobicContact CD2-CD2 4.39Å; L745-I796 HydrophobicContact CD2-CB 4.04Å; L745-I796 HydrophobicContact CD2-CG2 3.9Å
746A90.6Very high85.7Confident0 Ų038.5 Ų38.50%021%0.205CC..Hα-helixtrans-62.7-43.9-176.700000112.5C742 H743 R744 L750 A797 C803 F806 C807C742-A746 PolarHBondContact O-N 3.42Å; H743-A746 PolarHBondContact O-N 3.44Å; R744-A746 VanDerWaalsContact C-N 3.33Å; R744-A746 PolarHBondContact O-N 3.11Å; A746-L750 WeakPolarHBondContact O-CB 3.44Å; A746-L750 PolarHBondContact O-N 3.45Å; A746-A797 HydrophobicContact CB-CB 4.11Å; A746-C803 WeakPolarHBondContact CB-O 3.48Å; A746-F806 HydrophobicContact CB-CB 3.78Å; A746-C807 VanDerWaalsContact CA-SG 3.56Å; A746-C807 VanDerWaalsContact CB-SG 3.56Å
747V90Very high85.2Confident31 Ų3134 Ų3419%0.18818%0.182CC..Hα-helixtrans-65.3-47178173.40000111.2H743 R744 L745 L750 D751 F806H743-V747 WeakPolarHBondContact O-CG2 3.36Å; H743-V747 PolarHBondContact O-N 3.28Å; R744-V747 PolarHBondContact O-N 3.36Å; L745-V747 PolarHBondContact O-N 3.17Å; V747-L750 WeakPolarHBondContact O-CB 3.49Å; V747-L750 PolarHBondContact O-N 2.85Å; V747-D751 PolarHBondContact O-N 3.31Å; V747-F806 HydrophobicContact CG2-CB 4.38Å; V747-F806 HydrophobicContact CG2-CD1 4.05Å; V747-F806 HydrophobicContact CG2-CG 4.39Å
748L88.5Confident83.8Confident18 Ų1837.3 Ų37.39%0.09421%0.205CC..Hα-helixtrans-69-37.2-179.2-174.559.4000112.2F642 H643 L646 R744 L745 L750 D751 T752F642-L748 HydrophobicContact CD1-CD2 3.73Å; F642-L748 HydrophobicContact CE1-CD2 4.16Å; H643-L748 VanDerWaalsContact CE1-CD1 3.48Å; H643-L748 WeakPolarHBondContact CE1-CD1 3.33Å; H643-L748 VanDerWaalsContact ND1-CD2 3.33Å; H643-L748 WeakPolarHBondContact ND1-CD2 3.48Å; L646-L748 HydrophobicContact CD1-CB 4.35Å; L646-L748 HydrophobicContact CD1-CD2 3.41Å; L646-L748 VanDerWaalsContact CD1-CD2 3.41Å; L646-L748 HydrophobicContact CD1-CG 3.82Å; R744-L748 WeakPolarHBondContact O-CB 3.33Å; R744-L748 PolarHBondContact O-N 3.4Å; L745-L748 PolarHBondContact O-N 3.47Å; L748-L750 VanDerWaalsContact C-N 3.26Å; L748-L750 PolarHBondContact O-N 3.45Å; L748-D751 PolarHBondContact O-N 2.98Å; L748-T752 HydrophobicContact CD1-CG2 4.28Å; L748-T752 HydrophobicContact CG-CG2 4.45Å; L748-T752 WeakPolarHBondContact O-CB 3.4Å; L748-T752 VanDerWaalsContact O-CG2 3.29Å; L748-T752 WeakPolarHBondContact O-CG2 3.38Å; L748-T752 PolarHBondContact O-N 2.88Å; L748-T752 PolarHBondContact O-OG1 3.03Å
749L90.2Very high82.1Confident0 Ų043.3 Ų43.30%024%0.236CC..Hα-helixtrans-60.5-40172.3-174.862.4000111.1F650 L745 T752 V753 V790 L793 M794 I810F650-L749 HydrophobicContact CE2-CD1 4.19Å; F650-L749 HydrophobicContact CZ-CD1 3.8Å; L745-L749 HydrophobicContact CD1-CB 4.47Å; L745-L749 WeakPolarHBondContact O-CB 3.1Å; L745-L749 PolarHBondContact O-N 2.84Å; L749-T752 WeakPolarHBondContact CA-OG1 3.22Å; L749-T752 PolarHBondContact O-OG1 3.44Å; L749-V753 HydrophobicContact CD1-CG2 4.09Å; L749-V753 WeakPolarHBondContact O-CB 3.37Å; L749-V753 VanDerWaalsContact O-CG2 3.23Å; L749-V753 WeakPolarHBondContact O-CG2 3.32Å; L749-V753 PolarHBondContact O-N 3.44Å; L749-V753 VanDerWaalsContact O-N 3.08Å; L749-V790 HydrophobicContact CD1-CG1 4.1Å; L749-V790 HydrophobicContact CD1-CG2 4.18Å; L749-V790 HydrophobicContact CD2-CG1 4.29Å; L749-V790 HydrophobicContact CG-CG1 4.45Å; L749-L793 HydrophobicContact CD1-CD1 3.88Å; L749-L793 HydrophobicContact CD2-CB 3.89Å; L749-M794 HydrophobicContact CD2-CG 3.63Å; L749-I810 HydrophobicContact CD2-CD1 4.48Å; L749-I810 HydrophobicContact CG-CD1 4.07Å
750L89.5Confident80.4Confident3 Ų343.1 Ų43.12%0.01624%0.24CC..Hα-helixtrans-64.2-50.2174.2174.761.9000111.9A746 V747 L748 T752 V753 C754 Y762 F806 P809 I810A746-L750 WeakPolarHBondContact O-CB 3.44Å; A746-L750 PolarHBondContact O-N 3.45Å; V747-L750 WeakPolarHBondContact O-CB 3.49Å; V747-L750 PolarHBondContact O-N 2.85Å; L748-L750 VanDerWaalsContact C-N 3.26Å; L748-L750 PolarHBondContact O-N 3.45Å; L750-T752 VanDerWaalsContact C-N 3.26Å; L750-T752 PolarHBondContact O-N 3.49Å; L750-V753 PolarHBondContact O-N 2.81Å; L750-C754 HydrophobicContact CD1-CB 3.81Å; L750-C754 WeakPolarHBondContact O-CA 3.33Å; L750-C754 WeakPolarHBondContact O-CB 3.35Å; L750-C754 PolarHBondContact O-N 3.32Å; L750-Y762 HydrophobicContact CD2-CE2 4.14Å; L750-Y762 WeakPolarHBondContact CD2-OH 3.29Å; L750-F806 WeakPolarHBondContact CD2-O 3.22Å; L750-P809 HydrophobicContact CD1-CB 3.64Å; L750-P809 HydrophobicContact CD1-CG 3.4Å; L750-P809 VanDerWaalsContact CD1-CG 3.4Å; L750-P809 HydrophobicContact CD2-CG 3.81Å; L750-P809 HydrophobicContact CG-CG 4.25Å; L750-I810 HydrophobicContact CD1-CG1 4.3Å
751D86.6Confident79Confident69 Ų6944.4 Ų44.437%0.36924%0.24SC..Hα-helixtrans-63.9-32.6-176.8-71.6-24.5000112.1V747 L748 R761V747-D751 PolarHBondContact O-N 3.31Å; L748-D751 PolarHBondContact O-N 2.98Å; D751-R761 IonicContact OD1-NH1 3.64Å; D751-R761 PolarHBondContact OD1-NH1 3.27Å
752T87.2Confident78.1Confident51 Ų5144.6 Ų44.631%0.31324%0.239SC..Hα-helixtrans-76.3-41.4177.348.60000113.1F650 L748 L749 L750F650-T752 HydrophobicContact CD2-CG2 4.27Å; F650-T752 HydrophobicContact CE2-CG2 4.41Å; F650-T752 WeakPolarHBondContact CE2-OG1 3.22Å; L748-T752 HydrophobicContact CD1-CG2 4.28Å; L748-T752 HydrophobicContact CG-CG2 4.45Å; L748-T752 WeakPolarHBondContact O-CB 3.4Å; L748-T752 VanDerWaalsContact O-CG2 3.29Å; L748-T752 WeakPolarHBondContact O-CG2 3.38Å; L748-T752 PolarHBondContact O-N 2.88Å; L748-T752 PolarHBondContact O-OG1 3.03Å; L749-T752 WeakPolarHBondContact CA-OG1 3.22Å; L749-T752 PolarHBondContact O-OG1 3.44Å; L750-T752 VanDerWaalsContact C-N 3.26Å; L750-T752 PolarHBondContact O-N 3.49Å
753V87.1Confident77.3Confident6 Ų650.8 Ų50.84%0.03627%0.268CS..Hα-helixtrans-81.6-28-177.8176.20000112.1F650 L749 L750 P755 I780 V783 V784 V790 I810F650-V753 HydrophobicContact CE1-CG2 3.93Å; F650-V753 HydrophobicContact CZ-CG2 3.79Å; L749-V753 HydrophobicContact CD1-CG2 4.09Å; L749-V753 WeakPolarHBondContact O-CB 3.37Å; L749-V753 VanDerWaalsContact O-CG2 3.23Å; L749-V753 WeakPolarHBondContact O-CG2 3.32Å; L749-V753 PolarHBondContact O-N 3.44Å; L749-V753 VanDerWaalsContact O-N 3.08Å; L750-V753 PolarHBondContact O-N 2.81Å; V753-P755 VanDerWaalsContact C-CD 3.47Å; V753-I780 HydrophobicContact CG1-CG2 3.84Å; V753-V783 HydrophobicContact CG1-CG1 4.27Å; V753-V783 HydrophobicContact CG2-CG1 4.46Å; V753-V784 HydrophobicContact CG1-CG2 4.16Å; V753-V790 HydrophobicContact CG2-CG1 4.49Å; V753-V790 HydrophobicContact CG2-CG2 4.3Å; V753-I810 HydrophobicContact CB-CD1 4.06Å; V753-I810 HydrophobicContact CB-CG1 4.47Å; V753-I810 HydrophobicContact CG1-CD1 4.21Å; V753-I810 HydrophobicContact CG1-CG1 4.22Å; V753-I810 HydrophobicContact CG2-CD1 4.29Å
754C84.3Confident76.8Confident6 Ų649.4 Ų49.44%0.04126%0.261CS..  trans-128.554.1-171.8-58.30000113.7L750 D756 L757 I780L750-C754 HydrophobicContact CD1-CB 3.81Å; L750-C754 WeakPolarHBondContact O-CA 3.33Å; L750-C754 WeakPolarHBondContact O-CB 3.35Å; L750-C754 PolarHBondContact O-N 3.32Å; C754-D756 PolarHBondContact O-N 3.3Å; C754-L757 HydrophobicContact CB-CD1 4.32Å; C754-I780 VanDerWaalsContact SG-CD1 3.54Å
755P72.4Confident76.5Confident84 Ų8448.1 Ų48.155%0.54526%0.258SS..THydrogen-bonded Turntrans-64.6-39.8-173.825.5-34.4000113.4V753 L757V753-P755 VanDerWaalsContact C-CD 3.47Å; P755-L757 PolarHBondContact O-N 3.15Å
756D68.3Low76.2Confident145 Ų14551.7 Ų51.778%0.77528%0.278SS*.THydrogen-bonded Turntrans-89.914.2-169.8-64.1-31.9000114.7C754C754-D756 PolarHBondContact O-N 3.3Å
757L60.1Low76Confident23 Ų2352.4 Ų52.412%0.1228%0.28CS..  trans-117.634.8-167.5-70.2165.5000114.6C754 P755 D759 A760 R761 K776 I780C754-L757 HydrophobicContact CB-CD1 4.32Å; P755-L757 PolarHBondContact O-N 3.15Å; L757-D759 PolarHBondContact O-N 3.05Å; L757-A760 PolarHBondContact O-N 3.27Å; L757-R761 WeakPolarHBondContact O-CG 3.31Å; L757-K776 HydrophobicContact CD2-CB 3.87Å; L757-K776 HydrophobicContact CD2-CD 3.59Å; L757-K776 HydrophobicContact CD2-CG 3.91Å; L757-I780 HydrophobicContact CD1-CD1 3.29Å; L757-I780 HydrophobicContact CD1-CG1 3.86Å
758V52.1Low75.8Confident94 Ų9455.3 Ų55.357%0.5730%0.298SS*.THydrogen-bonded Turntrans-44.7-42.5-173.8-178.90000113.8R761V758-R761 PolarHBondContact O-NE 3.27Å
759D49.6Very low75.7Confident161 Ų16157 Ų5786%0.86131%0.312SS*.THydrogen-bonded Turntrans-87.5-22.1-175.5-67.6-29.5000114.9L757L757-D759 PolarHBondContact O-N 3.05Å
760A52Low75.3Confident30 Ų3057 Ų5725%0.24831%0.312CS..SBendtrans-98.55.8-168.500000114.1L757L757-A760 PolarHBondContact O-N 3.27Å
761R59.5Low75Confident76 Ų7661.1 Ų61.129%0.28733%0.33SS..SBendtrans-60-58.7-165.3-65.5-168.5-99.1-165.1-1.5111.8D751 L757 V758 P809D751-R761 IonicContact OD1-NH1 3.64Å; D751-R761 PolarHBondContact OD1-NH1 3.27Å; L757-R761 WeakPolarHBondContact O-CG 3.31Å; V758-R761 PolarHBondContact O-NE 3.27Å; R761-P809 HydrophobicContact CB-CG 4.02Å; R761-P809 WeakPolarHBondContact O-CB 3.37Å; R761-P809 WeakPolarHBondContact O-CG 3.5Å
762Y68.3Low74.9Confident27 Ų2764.7 Ų64.711%0.10635%0.347CS..SBendtrans-114.2-9.7-166.3-66.2-89.7000115.4L750 W764 F806 L906 L909L750-Y762 HydrophobicContact CD2-CE2 4.14Å; L750-Y762 WeakPolarHBondContact CD2-OH 3.29Å; Y762-W764 PolarHBondContact O-N 2.96Å; Y762-F806 PolarHBondContact OH-O 3.35Å; Y762-F806 VanDerWaalsContact OH-O 3.11Å; Y762-L906 HydrophobicContact CD1-CB 4.45Å; Y762-L906 HydrophobicContact CD1-CD1 4.29Å; Y762-L906 HydrophobicContact CD2-CB 3.73Å; Y762-L906 HydrophobicContact CD2-CD1 3.81Å; Y762-L906 HydrophobicContact CD2-CD2 3.76Å; Y762-L906 HydrophobicContact CD2-CG 3.96Å; Y762-L906 HydrophobicContact CE1-CD1 4Å; Y762-L906 HydrophobicContact CE2-CB 4.34Å; Y762-L906 HydrophobicContact CE2-CD1 3.51Å; Y762-L906 HydrophobicContact CE2-CD2 3.81Å; Y762-L906 HydrophobicContact CE2-CG 4.08Å; Y762-L906 HydrophobicContact CG-CB 3.8Å; Y762-L906 HydrophobicContact CG-CD1 4.19Å; Y762-L906 HydrophobicContact CG-CG 4.42Å; Y762-L909 HydrophobicContact CE1-CD2 4.05Å
763H74.3Confident74.6Confident129 Ų12963.8 Ų63.860%0.59734%0.343SS*.  trans-81112.4175.3-175.351000109.9K812H763-K812 PolarHBondContact O-NZ 3.44Å
764W80.1Confident74.5Confident6 Ų664.8 Ų64.82%0.02335%0.348CS..  trans-75.7135.6166-148.3-64.8000107.9Y762 L808 K812 L815 W896 L899 N900 A903Y762-W764 PolarHBondContact O-N 2.96Å; W764-L808 HydrophobicContact CE3-CD1 4.24Å; W764-L808 HydrophobicContact CE3-CD2 4.07Å; W764-L808 HydrophobicContact CE3-CG 4.09Å; W764-L808 HydrophobicContact CZ3-CD1 3.53Å; W764-L808 HydrophobicContact CZ3-CD2 4.16Å; W764-L808 HydrophobicContact CZ3-CG 3.7Å; W764-K812 HydrophobicContact CD2-CD 4.47Å; W764-K812 HydrophobicContact CD2-CG 4.39Å; W764-K812 HydrophobicContact CE3-CG 4.49Å; W764-K812 HydrophobicContact CH2-CB 3.89Å; W764-K812 HydrophobicContact CH2-CG 4.18Å; W764-K812 HydrophobicContact CZ2-CB 4.29Å; W764-K812 HydrophobicContact CZ2-CG 4.09Å; W764-K812 HydrophobicContact CZ3-CB 4.03Å; W764-K812 HydrophobicContact CZ3-CG 4.39Å; W764-L815 HydrophobicContact CZ2-CD2 4.06Å; W764-W896 AromaticContact CD1-CE2 3.62Å; W764-W896 AromaticContact CD1-CZ2 3.82Å; W764-W896 AromaticContact CD1-NE1 3.58Å; W764-W896 HydrophobicContact CZ2-CD2 4.33Å; W764-W896 AromaticContact CZ2-CE3 3.91Å; W764-W896 HydrophobicContact CZ2-CE3 3.91Å; W764-W896 HydrophobicContact CZ2-CH2 4.25Å; W764-W896 AromaticContact CZ2-CZ3 3.86Å; W764-W896 HydrophobicContact CZ2-CZ3 3.86Å; W764-W896 AromaticContact NE1-CD1 3.72Å; W764-W896 AromaticContact NE1-CD2 3.23Å; W764-W896 AromaticContact NE1-CE2 3.05Å; W764-W896 AromaticContact NE1-CE3 3.7Å; W764-W896 AromaticContact NE1-CG 3.66Å; W764-W896 AromaticContact NE1-CH2 3.8Å; W764-W896 AromaticContact NE1-CZ2 3.35Å; W764-W896 AromaticContact NE1-CZ3 3.95Å; W764-W896 AromaticContact NE1-NE1 3.38Å; W764-W896 PolarHBondContact NE1-O 3.29Å; W764-L899 HydrophobicContact CD2-CB 3.7Å; W764-L899 HydrophobicContact CE3-CB 3.93Å; W764-L899 HydrophobicContact CG-CB 4.33Å; W764-L899 HydrophobicContact CH2-CB 4.07Å; W764-L899 HydrophobicContact CH2-CD1 3.45Å; W764-L899 VanDerWaalsContact CH2-CD1 3.45Å; W764-L899 HydrophobicContact CH2-CG 4.32Å; W764-L899 HydrophobicContact CZ2-CB 3.82Å; W764-L899 HydrophobicContact CZ2-CD1 3.55Å; W764-L899 HydrophobicContact CZ2-CG 4.33Å; W764-L899 HydrophobicContact CZ3-CB 4.1Å; W764-L899 HydrophobicContact CZ3-CD1 4.04Å; W764-N900 HydrophobicContact CG-CB 4.38Å; W764-N900 PolarHBondContact O-OD1 3.12Å; W764-A903 HydrophobicContact CE3-CB 4.17Å
765E83.5Confident74.5Confident51 Ų5171.5 Ų71.524%0.23838%0.379CS..  trans-114.6163.7-174.3-61.5163.6126.600109.3K812 W896 N900E765-K812 IonicContact OE2-NZ 2.74Å; E765-K812 PolarHBondContact OE2-NZ 3.34Å; E765-W896 PolarHBondContact O-NE1 3.2Å; E765-N900 VanDerWaalsContact CA-OD1 3.29Å; E765-N900 WeakPolarHBondContact CA-OD1 3.23Å; E765-N900 PolarHBondContact N-OD1 3.32Å; E765-N900 PolarHBondContact O-OD1 3.36Å
766D87Confident75.1Confident76 Ų7672.4 Ų72.441%0.40637%0.374SS..  trans-55.6147166.3-179.258.3000110.7T768 S769 A770D766-T768 PolarHBondContact O-N 3.42Å; D766-T768 VanDerWaalsContact O-N 3.14Å; D766-T768 WeakPolarHBondContact OD2-CB 3.38Å; D766-T768 WeakPolarHBondContact OD2-CG2 3.41Å; D766-T768 PolarHBondContact OD2-N 3.42Å; D766-T768 PolarHBondContact OD2-OG1 3.4Å; D766-S769 PolarHBondContact O-N 2.94Å; D766-S769 VanDerWaalsContact O-N 3.1Å; D766-A770 PolarHBondContact O-N 3.47Å
767W85.6Confident76Confident14 Ų1466 Ų665%0.05334%0.339CS..Hα-helixtrans-54.6-37.2-176.3174.5-112.8000112.5S769 A770 K771 A816 V819 V820 E823 R893 W896W767-S769 PolarHBondContact O-N 3.3Å; W767-A770 PolarHBondContact O-N 2.92Å; W767-K771 VanDerWaalsContact O-CB 3.26Å; W767-K771 WeakPolarHBondContact O-CB 3.29Å; W767-K771 PolarHBondContact O-N 3.11Å; W767-A816 HydrophobicContact CZ3-CB 4.29Å; W767-V819 HydrophobicContact CD2-CG1 4.38Å; W767-V819 HydrophobicContact CE3-CG1 4.34Å; W767-V819 HydrophobicContact CH2-CB 3.51Å; W767-V819 HydrophobicContact CH2-CG1 3.38Å; W767-V819 HydrophobicContact CZ2-CB 4.06Å; W767-V819 HydrophobicContact CZ2-CG1 3.41Å; W767-V819 VanDerWaalsContact CZ2-CG1 3.41Å; W767-V819 HydrophobicContact CZ3-CB 3.92Å; W767-V819 HydrophobicContact CZ3-CG1 3.88Å; W767-V820 HydrophobicContact CH2-CG2 3.58Å; W767-V820 HydrophobicContact CZ2-CG2 3.85Å; W767-E823 PolarHBondContact NE1-OE2 3.37Å; W767-R893 HydrophobicContact CG-CG 4.5Å; W767-R893 VanDerWaalsContact NE1-NH2 3.13Å; W767-W896 AromaticContact CE3-CD2 3.91Å; W767-W896 HydrophobicContact CE3-CD2 3.91Å; W767-W896 AromaticContact CE3-CE2 3.98Å; W767-W896 HydrophobicContact CE3-CE3 4.21Å; W767-W896 HydrophobicContact CE3-CG 4.33Å; W767-W896 HydrophobicContact CE3-CZ2 4.39Å; W767-W896 HydrophobicContact CZ3-CD2 4.4Å; W767-W896 HydrophobicContact CZ3-CE3 4.24Å; W767-W896 HydrophobicContact CZ3-CZ3 4.34Å
768T85.9Confident77.2Confident92 Ų9268.1 Ų68.156%0.56435%0.35SS*.Hα-helixtrans-63.6-42.6-179.559.30000112.1D766D766-T768 PolarHBondContact O-N 3.42Å; D766-T768 VanDerWaalsContact O-N 3.14Å; D766-T768 WeakPolarHBondContact OD2-CB 3.38Å; D766-T768 WeakPolarHBondContact OD2-CG2 3.41Å; D766-T768 PolarHBondContact OD2-N 3.42Å; D766-T768 PolarHBondContact OD2-OG1 3.4Å
769S85.3Confident78.9Confident54 Ų5470.5 Ų70.538%0.37835%0.353SS..Hα-helixtrans-69-45.7175.3-58.90000111.9D766 W767 K771 I772D766-S769 PolarHBondContact O-N 2.94Å; D766-S769 VanDerWaalsContact O-N 3.1Å; W767-S769 PolarHBondContact O-N 3.3Å; S769-K771 PolarHBondContact O-N 3.28Å; S769-I772 WeakPolarHBondContact O-CB 3.34Å; S769-I772 PolarHBondContact O-N 3.47Å
770A83.6Confident80.7Confident0 Ų063.1 Ų63.10%031%0.313CS..Hα-helixtrans-60.1-34.8178.900000112.2D766 W767 I772 S773 I774 Y777 W896D766-A770 PolarHBondContact O-N 3.47Å; W767-A770 PolarHBondContact O-N 2.92Å; A770-I772 VanDerWaalsContact C-N 3.31Å; A770-I772 PolarHBondContact O-N 3.02Å; A770-S773 CarbonylContact O-C 3.56Å; A770-S773 PolarHBondContact O-N 2.73Å; A770-I774 PolarHBondContact O-N 3.2Å; A770-Y777 HydrophobicContact CB-CE2 4.3Å; A770-Y777 WeakPolarHBondContact O-CE2 3.16Å; A770-W896 HydrophobicContact CB-CH2 4.01Å; A770-W896 HydrophobicContact CB-CZ2 3.33Å
771K83.4Confident82.4Confident90 Ų9062.3 Ų62.339%0.39130%0.303SS..Hα-helixtrans-65.2-30.9177.1-172.1176.5-179.7-177.60113W767 S769 S773 I774 E823W767-K771 VanDerWaalsContact O-CB 3.26Å; W767-K771 WeakPolarHBondContact O-CB 3.29Å; W767-K771 PolarHBondContact O-N 3.11Å; S769-K771 PolarHBondContact O-N 3.28Å; K771-S773 VanDerWaalsContact C-N 3.29Å; K771-I774 VanDerWaalsContact O-CB 3.27Å; K771-I774 WeakPolarHBondContact O-CB 3.44Å; K771-I774 VanDerWaalsContact O-CG2 3.24Å; K771-I774 WeakPolarHBondContact O-CG2 3.39Å; K771-I774 PolarHBondContact O-N 2.86Å; K771-E823 IonicContact NZ-OE1 3.87Å; K771-E823 PolarHBondContact NZ-OE1 2.94Å; K771-E823 IonicContact NZ-OE2 3.64Å
772I83.7Confident83.7Confident144 Ų14465.1 Ų65.174%0.73832%0.318SS*.Hα-helixtrans-66.4-37.6174.9-62168.5000110.1S769 A770 I774S769-I772 WeakPolarHBondContact O-CB 3.34Å; S769-I772 PolarHBondContact O-N 3.47Å; A770-I772 VanDerWaalsContact C-N 3.31Å; A770-I772 PolarHBondContact O-N 3.02Å; I772-I774 PolarHBondContact O-N 2.7Å
773S80.5Confident84.6Confident32 Ų3266.2 Ų66.222%0.22433%0.327CS..THydrogen-bonded Turntrans-8412.8178.4-67.90000113.9A770 K771 E775 K776A770-S773 CarbonylContact O-C 3.56Å; A770-S773 PolarHBondContact O-N 2.73Å; K771-S773 VanDerWaalsContact C-N 3.29Å; S773-E775 PolarHBondContact O-N 3.1Å; S773-E775 VanDerWaalsContact O-N 3.14Å; S773-K776 WeakPolarHBondContact O-CB 3.31Å; S773-K776 PolarHBondContact O-N 2.66Å
774I85.6Confident85.2Confident27 Ų2760 Ų6014%0.13830%0.298CS..Hα-helixtrans-58.9-32.4-172.1-167.864.3000113.7A770 K771 I772 K776 Y777 I778 A816 T817 V820A770-I774 PolarHBondContact O-N 3.2Å; K771-I774 VanDerWaalsContact O-CB 3.27Å; K771-I774 WeakPolarHBondContact O-CB 3.44Å; K771-I774 VanDerWaalsContact O-CG2 3.24Å; K771-I774 WeakPolarHBondContact O-CG2 3.39Å; K771-I774 PolarHBondContact O-N 2.86Å; I772-I774 PolarHBondContact O-N 2.7Å; I774-K776 PolarHBondContact O-N 2.67Å; I774-Y777 HydrophobicContact CD1-CD2 4.22Å; I774-Y777 PolarHBondContact O-N 3.13Å; I774-Y777 VanDerWaalsContact O-N 3.09Å; I774-I778 HydrophobicContact CG1-CD1 3.99Å; I774-I778 HydrophobicContact CG1-CG1 4.18Å; I774-I778 WeakPolarHBondContact O-CG1 3.45Å; I774-I778 PolarHBondContact O-N 3.43Å; I774-A816 HydrophobicContact CD1-CB 4.25Å; I774-T817 HydrophobicContact CD1-CG2 4.26Å; I774-V820 HydrophobicContact CD1-CB 4.13Å; I774-V820 HydrophobicContact CD1-CG2 3.4Å; I774-V820 VanDerWaalsContact CD1-CG2 3.4Å; I774-V820 HydrophobicContact CG1-CB 4.4Å; I774-V820 HydrophobicContact CG1-CG1 4.45Å; I774-V820 HydrophobicContact CG1-CG2 3.76Å
775E84.2Confident85.3Confident147 Ų14762.3 Ų62.369%0.68731%0.311SS*.Hα-helixtrans-57.6-37.5178.4-64.6-175.1174.500112.2S773 I778 K779S773-E775 PolarHBondContact O-N 3.1Å; S773-E775 VanDerWaalsContact O-N 3.14Å; E775-I778 PolarHBondContact O-N 2.96Å; E775-K779 WeakPolarHBondContact O-CG 3.3Å; E775-K779 PolarHBondContact O-N 3.38Å; E775-K779 VanDerWaalsContact O-N 3.1Å
776K84.2Confident85.4Confident103 Ų10361.9 Ų61.945%0.44831%0.312SS..Hα-helixtrans-65.3-45.3176.3-67170.8169.2-175.10110.9L757 S773 I774 I778 K779 I780L757-K776 HydrophobicContact CD2-CB 3.87Å; L757-K776 HydrophobicContact CD2-CD 3.59Å; L757-K776 HydrophobicContact CD2-CG 3.91Å; S773-K776 WeakPolarHBondContact O-CB 3.31Å; S773-K776 PolarHBondContact O-N 2.66Å; I774-K776 PolarHBondContact O-N 2.67Å; K776-I778 VanDerWaalsContact C-N 3.33Å; K776-I778 PolarHBondContact O-N 3.48Å; K776-K779 WeakPolarHBondContact O-CB 3.16Å; K776-K779 PolarHBondContact O-N 3Å; K776-I780 PolarHBondContact O-N 2.76Å
777Y87.2Confident85.4Confident9 Ų958.3 Ų58.34%0.03529%0.293CS..Hα-helixtrans-67.3-33.5177.2-58-42.4000112.7A770 I774 K779 I780 R781 K812 A813 A816A770-Y777 HydrophobicContact CB-CE2 4.3Å; A770-Y777 WeakPolarHBondContact O-CE2 3.16Å; I774-Y777 HydrophobicContact CD1-CD2 4.22Å; I774-Y777 PolarHBondContact O-N 3.13Å; I774-Y777 VanDerWaalsContact O-N 3.09Å; Y777-K779 VanDerWaalsContact C-N 3.34Å; Y777-I780 HydrophobicContact CD1-CD1 4.41Å; Y777-I780 PolarHBondContact O-N 2.99Å; Y777-R781 WeakPolarHBondContact O-CB 3.4Å; Y777-R781 PolarHBondContact O-N 3.22Å; Y777-K812 HydrophobicContact CE1-CD 4.33Å; Y777-K812 HydrophobicContact CE1-CG 4.45Å; Y777-K812 WeakPolarHBondContact OH-CE 3.15Å; Y777-K812 PolarHBondContact OH-NZ 3.38Å; Y777-A813 HydrophobicContact CD1-CB 3.69Å; Y777-A813 HydrophobicContact CG-CB 4.13Å; Y777-A816 HydrophobicContact CD2-CB 3.61Å; Y777-A816 HydrophobicContact CE2-CB 4.15Å; Y777-A816 HydrophobicContact CG-CB 4.1Å
778I86.2Confident85.3Confident68 Ų6858 Ų5835%0.34929%0.293SS..Hα-helixtrans-63.7-40.9173.5-69.5166.5000110.5I774 E775 K776 R781 K782 T817I774-I778 HydrophobicContact CG1-CD1 3.99Å; I774-I778 HydrophobicContact CG1-CG1 4.18Å; I774-I778 WeakPolarHBondContact O-CG1 3.45Å; I774-I778 PolarHBondContact O-N 3.43Å; E775-I778 PolarHBondContact O-N 2.96Å; K776-I778 VanDerWaalsContact C-N 3.33Å; K776-I778 PolarHBondContact O-N 3.48Å; I778-R781 PolarHBondContact O-N 3.08Å; I778-K782 HydrophobicContact CG2-CD 4.32Å; I778-K782 HydrophobicContact CG2-CG 4.47Å; I778-K782 WeakPolarHBondContact O-CG 3.31Å; I778-K782 PolarHBondContact O-N 3.48Å; I778-T817 HydrophobicContact CG1-CG2 3.97Å
779K86.5Confident85.3Confident145 Ų14553.7 Ų53.763%0.6327%0.266SS*.Hα-helixtrans-60-49175-71.1177.7-179.8-176.80111.4E775 K776 Y777 R781 K782 V783E775-K779 WeakPolarHBondContact O-CG 3.3Å; E775-K779 PolarHBondContact O-N 3.38Å; E775-K779 VanDerWaalsContact O-N 3.1Å; K776-K779 WeakPolarHBondContact O-CB 3.16Å; K776-K779 PolarHBondContact O-N 3Å; Y777-K779 VanDerWaalsContact C-N 3.34Å; K779-R781 PolarHBondContact O-N 3.45Å; K779-K782 WeakPolarHBondContact O-CB 3.4Å; K779-K782 PolarHBondContact O-N 2.95Å; K779-V783 PolarHBondContact O-N 3.33Å
780I88.1Confident85.5Confident6 Ų651.1 Ų51.13%0.03125%0.248CC..Hα-helixtrans-57.2-50175.9-67.5165.3000110.7V753 C754 L757 K776 Y777 K782 V783 V784 A813V753-I780 HydrophobicContact CG1-CG2 3.84Å; C754-I780 VanDerWaalsContact SG-CD1 3.54Å; L757-I780 HydrophobicContact CD1-CD1 3.29Å; L757-I780 HydrophobicContact CD1-CG1 3.86Å; K776-I780 PolarHBondContact O-N 2.76Å; Y777-I780 HydrophobicContact CD1-CD1 4.41Å; Y777-I780 PolarHBondContact O-N 2.99Å; I780-K782 VanDerWaalsContact C-N 3.28Å; I780-K782 PolarHBondContact O-N 3.34Å; I780-V783 WeakPolarHBondContact O-CB 3.25Å; I780-V783 PolarHBondContact O-N 2.92Å; I780-V784 HydrophobicContact CG2-CG2 4.31Å; I780-V784 WeakPolarHBondContact O-CG2 3.38Å; I780-V784 PolarHBondContact O-N 3.44Å; I780-A813 HydrophobicContact CB-CB 3.79Å; I780-A813 HydrophobicContact CD1-CB 3.75Å; I780-A813 HydrophobicContact CG1-CB 4.4Å; I780-A813 HydrophobicContact CG2-CB 3.65Å
781R88Confident85.6Confident12 Ų1252.1 Ų52.15%0.04525%0.252CS..Hα-helixtrans-60-38.9-179.9178.2154-174.2171.58.3112.4Y777 I778 K779 V783 V784 D785 L814 T817 T818 R821Y777-R781 WeakPolarHBondContact O-CB 3.4Å; Y777-R781 PolarHBondContact O-N 3.22Å; I778-R781 PolarHBondContact O-N 3.08Å; K779-R781 PolarHBondContact O-N 3.45Å; R781-V783 VanDerWaalsContact C-N 3.29Å; R781-V783 PolarHBondContact O-N 2.88Å; R781-V784 PolarHBondContact O-N 2.99Å; R781-D785 VanDerWaalsContact CG-OD2 3.29Å; R781-D785 WeakPolarHBondContact CG-OD2 3.44Å; R781-D785 IonicContact NE-OD1 2.78Å; R781-D785 IonicContact NE-OD2 3.23Å; R781-D785 VanDerWaalsContact O-CB 3.31Å; R781-D785 WeakPolarHBondContact O-CB 3.48Å; R781-D785 VanDerWaalsContact O-CG 3.23Å; R781-D785 PolarHBondContact O-N 3.19Å; R781-L814 HydrophobicContact CB-CD2 4.37Å; R781-L814 HydrophobicContact CG-CD2 4.16Å; R781-T817 HydrophobicContact CB-CG2 4.05Å; R781-T817 WeakPolarHBondContact CD-OG1 3.38Å; R781-T817 PolarHBondContact NH1-OG1 3.17Å; R781-T818 PolarHBondContact NH1-OG1 3.01Å; R781-R821 VanDerWaalsContact NE-NH2 3.2Å; R781-R821 VanDerWaalsContact NH2-NH1 3.11Å
782K86.9Confident85.6Confident136 Ų13648.6 Ų48.659%0.59124%0.238SC*.Hα-helixtrans-59.5-40.3174.9-76.6176.7177.5-176.50111.9I778 K779 I780 T786I778-K782 HydrophobicContact CG2-CD 4.32Å; I778-K782 HydrophobicContact CG2-CG 4.47Å; I778-K782 WeakPolarHBondContact O-CG 3.31Å; I778-K782 PolarHBondContact O-N 3.48Å; K779-K782 WeakPolarHBondContact O-CB 3.4Å; K779-K782 PolarHBondContact O-N 2.95Å; I780-K782 VanDerWaalsContact C-N 3.28Å; I780-K782 PolarHBondContact O-N 3.34Å; K782-T786 WeakPolarHBondContact O-CB 3.37Å; K782-T786 PolarHBondContact O-N 3.2Å; K782-T786 PolarHBondContact O-OG1 3.49Å
783V87.1Confident85.9Confident49 Ų4941.8 Ų41.830%0.29720%0.203SC..Hα-helixtrans-62.7-49.4175.1177.40000110.3F650 V753 K779 I780 R781 D785 T786 C787F650-V783 HydrophobicContact CE1-CG1 4.47Å; V753-V783 HydrophobicContact CG1-CG1 4.27Å; V753-V783 HydrophobicContact CG2-CG1 4.46Å; K779-V783 PolarHBondContact O-N 3.33Å; I780-V783 WeakPolarHBondContact O-CB 3.25Å; I780-V783 PolarHBondContact O-N 2.92Å; R781-V783 VanDerWaalsContact C-N 3.29Å; R781-V783 PolarHBondContact O-N 2.88Å; V783-D785 PolarHBondContact O-N 2.94Å; V783-T786 PolarHBondContact O-N 2.82Å; V783-C787 WeakPolarHBondContact O-CB 3.43Å; V783-C787 PolarHBondContact O-N 3.06Å; V783-C787 PolarHBondContact O-SG 2.89Å
784V86.2Confident86.3Confident0 Ų040.2 Ų40.20%019%0.192CC..Hα-helixtrans-62.7-40.9179.3178.80000112.4V753 I780 R781 T786 C787 V790 Y791 I810 L814V753-V784 HydrophobicContact CG1-CG2 4.16Å; I780-V784 HydrophobicContact CG2-CG2 4.31Å; I780-V784 WeakPolarHBondContact O-CG2 3.38Å; I780-V784 PolarHBondContact O-N 3.44Å; R781-V784 PolarHBondContact O-N 2.99Å; V784-T786 VanDerWaalsContact C-N 3.3Å; V784-T786 PolarHBondContact O-N 3.09Å; V784-C787 CarbonylContact O-C 3.59Å; V784-C787 PolarHBondContact O-N 3.24Å; V784-C787 VanDerWaalsContact O-O 3.13Å; V784-V790 HydrophobicContact CG1-CB 4.42Å; V784-V790 HydrophobicContact CG1-CG1 4.32Å; V784-V790 HydrophobicContact CG2-CG1 4.11Å; V784-Y791 HydrophobicContact CG1-CD2 3.84Å; V784-Y791 HydrophobicContact CG1-CE2 3.31Å; V784-I810 HydrophobicContact CG2-CG2 3.95Å; V784-L814 HydrophobicContact CB-CD2 4.23Å; V784-L814 HydrophobicContact CG1-CD1 4.4Å; V784-L814 HydrophobicContact CG1-CD2 4.05Å; V784-L814 HydrophobicContact CG2-CD2 4.42Å
785D83.4Confident86.2Confident54 Ų5439.9 Ų39.929%0.28919%0.19SC..Hα-helixtrans-68.1-31.5178.3-71.6-14.3000111.1R781 V783 R821R781-D785 VanDerWaalsContact CG-OD2 3.29Å; R781-D785 WeakPolarHBondContact CG-OD2 3.44Å; R781-D785 IonicContact NE-OD1 2.78Å; R781-D785 IonicContact NE-OD2 3.23Å; R781-D785 VanDerWaalsContact O-CB 3.31Å; R781-D785 WeakPolarHBondContact O-CB 3.48Å; R781-D785 VanDerWaalsContact O-CG 3.23Å; R781-D785 PolarHBondContact O-N 3.19Å; V783-D785 PolarHBondContact O-N 2.94Å; D785-R821 IonicContact OD2-NH2 2.68Å
786T84.5Confident86.2Confident42 Ų4233.3 Ų33.326%0.25816%0.16SC..Hα-helixtrans-77.4-30.9174.1-52.50000112R657 V658 K782 V783 V784 P788R657-T786 WeakPolarHBondContact CA-O 3.43Å; R657-T786 HydrophobicContact CB-CG2 4.36Å; R657-T786 HydrophobicContact CG-CG2 4.34Å; V658-T786 PolarHBondContact N-O 3.27Å; K782-T786 WeakPolarHBondContact O-CB 3.37Å; K782-T786 PolarHBondContact O-N 3.2Å; K782-T786 PolarHBondContact O-OG1 3.49Å; V783-T786 PolarHBondContact O-N 2.82Å; V784-T786 VanDerWaalsContact C-N 3.3Å; V784-T786 PolarHBondContact O-N 3.09Å; T786-P788 VanDerWaalsContact C-CD 3.49Å; T786-P788 VanDerWaalsContact O-CD 3.24Å; T786-P788 WeakPolarHBondContact O-CD 3.39Å
787C87.6Confident86.3Confident1 Ų128.4 Ų28.41%0.00714%0.138CC..  trans-11772.7-176.1-56.50000110.4F650 V783 V784 F789 V790F650-C787 HydrophobicContact CE1-CB 4.3Å; V783-C787 WeakPolarHBondContact O-CB 3.43Å; V783-C787 PolarHBondContact O-N 3.06Å; V783-C787 PolarHBondContact O-SG 2.89Å; V784-C787 CarbonylContact O-C 3.59Å; V784-C787 PolarHBondContact O-N 3.24Å; V784-C787 VanDerWaalsContact O-O 3.13Å; C787-F789 HydrophobicContact CB-CD1 4.22Å; C787-F789 HydrophobicContact CB-CE1 3.63Å; C787-F789 HydrophobicContact CB-CZ 3.79Å; C787-F789 PolarHBondContact O-N 2.76Å; C787-F789 VanDerWaalsContact O-N 3.07Å; C787-V790 HydrophobicContact CB-CG2 3.88Å; C787-V790 WeakPolarHBondContact O-CB 3.29Å; C787-V790 WeakPolarHBondContact O-CG2 3.31Å; C787-V790 PolarHBondContact O-N 3.38Å
788P82.5Confident86Confident8 Ų828.3 Ų28.35%0.05214%0.139CC..THydrogen-bonded Turntrans-62.8-21.5-17325.5-36.2000114V658 T786 V790 Y791V658-P788 HydrophobicContact CG2-CG 3.66Å; T786-P788 VanDerWaalsContact C-CD 3.49Å; T786-P788 VanDerWaalsContact O-CD 3.24Å; T786-P788 WeakPolarHBondContact O-CD 3.39Å; P788-V790 PolarHBondContact O-N 2.97Å; P788-Y791 PolarHBondContact O-N 3.14Å; P788-Y791 VanDerWaalsContact O-N 3.16Å
789F86.8Confident85.7Confident0 Ų027.1 Ų27.10%013%0.132CC..Hα-helixtrans-61.1-19.8174.364.3-97.9000113.1A649 F650 L656 R715 F718 I719 C787 Y791 D792 L793A649-F789 HydrophobicContact CB-CE1 4.38Å; A649-F789 HydrophobicContact CB-CE2 3.91Å; A649-F789 HydrophobicContact CB-CZ 3.7Å; A649-F789 WeakPolarHBondContact O-CZ 3.3Å; F650-F789 HydrophobicContact CD1-CZ 4.24Å; F650-F789 HydrophobicContact CE1-CE2 4.21Å; F650-F789 HydrophobicContact CE1-CZ 4.1Å; F650-F789 HydrophobicContact CE2-CE2 4.17Å; F650-F789 AromaticContact CZ-CE2 3.93Å; F650-F789 HydrophobicContact CZ-CE2 3.93Å; F650-F789 HydrophobicContact CZ-CZ 4.26Å; L656-F789 HydrophobicContact CB-CD1 3.76Å; L656-F789 HydrophobicContact CB-CE1 3.8Å; L656-F789 HydrophobicContact CD1-CD1 4.43Å; L656-F789 HydrophobicContact CD1-CE1 4.5Å; R715-F789 HydrophobicContact CG-CB 4.41Å; F718-F789 HydrophobicContact CD1-CB 4.35Å; F718-F789 HydrophobicContact CD1-CD2 4.44Å; F718-F789 HydrophobicContact CD1-CG 4.46Å; F718-F789 HydrophobicContact CE1-CB 4.44Å; F718-F789 AromaticContact CE1-CD2 3.77Å; F718-F789 HydrophobicContact CE1-CD2 3.77Å; F718-F789 HydrophobicContact CE1-CE2 4.33Å; F718-F789 HydrophobicContact CE1-CG 4.23Å; F718-F789 HydrophobicContact CZ-CD2 4.49Å; I719-F789 HydrophobicContact CD1-CB 4.46Å; C787-F789 HydrophobicContact CB-CD1 4.22Å; C787-F789 HydrophobicContact CB-CE1 3.63Å; C787-F789 HydrophobicContact CB-CZ 3.79Å; C787-F789 PolarHBondContact O-N 2.76Å; C787-F789 VanDerWaalsContact O-N 3.07Å; F789-Y791 PolarHBondContact O-N 3.18Å; F789-D792 WeakPolarHBondContact CA-OD2 3.1Å; F789-D792 WeakPolarHBondContact O-CB 3.48Å; F789-D792 PolarHBondContact O-N 3.07Å; F789-L793 HydrophobicContact CD2-CD1 3.83Å; F789-L793 HydrophobicContact CD2-CG 4.36Å; F789-L793 HydrophobicContact CE2-CD1 4.17Å; F789-L793 WeakPolarHBondContact O-CG 3.34Å; F789-L793 PolarHBondContact O-N 3.49Å
790V89.2Confident85.4Confident0 Ų020.6 Ų20.60%011%0.105CC..Hα-helixtrans-56.4-38.6173.6172.20000111.3F650 L749 V753 V784 C787 P788 D792 L793 M794F650-V790 HydrophobicContact CE1-CG2 3.9Å; F650-V790 HydrophobicContact CZ-CG2 3.82Å; L749-V790 HydrophobicContact CD1-CG1 4.1Å; L749-V790 HydrophobicContact CD1-CG2 4.18Å; L749-V790 HydrophobicContact CD2-CG1 4.29Å; L749-V790 HydrophobicContact CG-CG1 4.45Å; V753-V790 HydrophobicContact CG2-CG1 4.49Å; V753-V790 HydrophobicContact CG2-CG2 4.3Å; V784-V790 HydrophobicContact CG1-CB 4.42Å; V784-V790 HydrophobicContact CG1-CG1 4.32Å; V784-V790 HydrophobicContact CG2-CG1 4.11Å; C787-V790 HydrophobicContact CB-CG2 3.88Å; C787-V790 WeakPolarHBondContact O-CB 3.29Å; C787-V790 WeakPolarHBondContact O-CG2 3.31Å; C787-V790 PolarHBondContact O-N 3.38Å; P788-V790 PolarHBondContact O-N 2.97Å; V790-D792 VanDerWaalsContact C-N 3.34Å; V790-D792 PolarHBondContact O-N 3.25Å; V790-L793 PolarHBondContact O-N 3.16Å; V790-M794 HydrophobicContact CG1-SD 4.21Å; V790-M794 VanDerWaalsContact O-CG 3.31Å; V790-M794 WeakPolarHBondContact O-CG 3.14Å; V790-M794 PolarHBondContact O-N 3.32Å
791Y85.2Confident85Confident22 Ų2221.8 Ų21.89%0.08611%0.11CC..Hα-helixtrans-63.6-40.8174.7-77.4-79.6000112V784 P788 F789 M794 L795 L814 R842 L846V784-Y791 HydrophobicContact CG1-CD2 3.84Å; V784-Y791 HydrophobicContact CG1-CE2 3.31Å; P788-Y791 PolarHBondContact O-N 3.14Å; P788-Y791 VanDerWaalsContact O-N 3.16Å; F789-Y791 PolarHBondContact O-N 3.18Å; Y791-M794 PolarHBondContact O-N 3.08Å; Y791-L795 WeakPolarHBondContact O-CG 3.32Å; Y791-L795 PolarHBondContact O-N 3.23Å; Y791-L814 HydrophobicContact CE1-CD1 3.71Å; Y791-L814 WeakPolarHBondContact OH-CD2 3.43Å; Y791-R842 HydrophobicContact CE1-CB 4.21Å; Y791-L846 HydrophobicContact CD1-CD1 3.73Å; Y791-L846 HydrophobicContact CE1-CD1 4.17Å
792D84.8Confident84.9Confident16 Ų1621.3 Ų21.39%0.08611%0.108CC..Hα-helixtrans-66.9-39.3179.1-55.3-51.8000110.9R715 I719 F789 V790 L795 I796R715-D792 IonicContact CZ-OD2 3.15Å; R715-D792 VanDerWaalsContact CZ-OD2 3.28Å; R715-D792 IonicContact NE-OD2 2.7Å; R715-D792 PolarHBondContact NE-OD2 2.8Å; R715-D792 VanDerWaalsContact NH2-CG 3.31Å; R715-D792 IonicContact NH2-OD1 3.52Å; R715-D792 PolarHBondContact NH2-OD1 3.22Å; R715-D792 VanDerWaalsContact NH2-OD1 3.14Å; R715-D792 IonicContact NH2-OD2 3.87Å; R715-D792 PolarHBondContact NH2-OD2 3.37Å; I719-D792 HydrophobicContact CD1-CB 3.47Å; I719-D792 VanDerWaalsContact CD1-CB 3.47Å; I719-D792 HydrophobicContact CG1-CB 3.71Å; I719-D792 HydrophobicContact CG2-CB 4.46Å; F789-D792 WeakPolarHBondContact CA-OD2 3.1Å; F789-D792 WeakPolarHBondContact O-CB 3.48Å; F789-D792 PolarHBondContact O-N 3.07Å; V790-D792 VanDerWaalsContact C-N 3.34Å; V790-D792 PolarHBondContact O-N 3.25Å; D792-L795 WeakPolarHBondContact O-CB 3.31Å; D792-L795 PolarHBondContact O-N 3.49Å; D792-I796 PolarHBondContact O-N 2.91Å
793L89.9Confident85Confident0 Ų014.8 Ų14.80%08%0.08CC..Hα-helixtrans-65-42.8174.8-66.3-178.4000112.5L646 F718 I719 I722 L745 L749 F789 V790 L795 I796 A797L646-L793 HydrophobicContact CD2-CD1 3.62Å; F718-L793 HydrophobicContact CE1-CD1 4.29Å; F718-L793 HydrophobicContact CE1-CD2 4.1Å; F718-L793 HydrophobicContact CE1-CG 4.44Å; I719-L793 HydrophobicContact CD1-CD2 3.65Å; I719-L793 HydrophobicContact CD1-CG 4.06Å; I722-L793 HydrophobicContact CB-CD2 4.21Å; I722-L793 HydrophobicContact CG1-CD2 4.15Å; I722-L793 HydrophobicContact CG2-CD2 3.74Å; L745-L793 HydrophobicContact CD1-CB 4.07Å; L745-L793 HydrophobicContact CD1-CD1 4.18Å; L745-L793 HydrophobicContact CD1-CD2 4.05Å; L745-L793 HydrophobicContact CD1-CG 4.33Å; L745-L793 HydrophobicContact CD2-CB 4.45Å; L745-L793 HydrophobicContact CD2-CD2 4.39Å; L749-L793 HydrophobicContact CD1-CD1 3.88Å; L749-L793 HydrophobicContact CD2-CB 3.89Å; F789-L793 HydrophobicContact CD2-CD1 3.83Å; F789-L793 HydrophobicContact CD2-CG 4.36Å; F789-L793 HydrophobicContact CE2-CD1 4.17Å; F789-L793 WeakPolarHBondContact O-CG 3.34Å; F789-L793 PolarHBondContact O-N 3.49Å; V790-L793 PolarHBondContact O-N 3.16Å; L793-L795 PolarHBondContact O-N 2.87Å; L793-I796 PolarHBondContact O-N 2.68Å; L793-A797 PolarHBondContact O-N 2.89Å
794M87.7Confident85.1Confident0 Ų013.1 Ų13.10%07%0.069CC..Hα-helixtrans-62.3-34173-70.2175.467.600111.4L749 V790 Y791 A797 A798 L804 C807 I810 L811 L846L749-M794 HydrophobicContact CD2-CG 3.63Å; V790-M794 HydrophobicContact CG1-SD 4.21Å; V790-M794 VanDerWaalsContact O-CG 3.31Å; V790-M794 WeakPolarHBondContact O-CG 3.14Å; V790-M794 PolarHBondContact O-N 3.32Å; Y791-M794 PolarHBondContact O-N 3.08Å; M794-A797 PolarHBondContact O-N 3.25Å; M794-A798 VanDerWaalsContact O-CB 3.31Å; M794-A798 WeakPolarHBondContact O-CB 3.4Å; M794-A798 PolarHBondContact O-N 3.4Å; M794-L804 HydrophobicContact CB-CD1 4Å; M794-L804 HydrophobicContact CE-CD1 3.96Å; M794-C807 HydrophobicContact CE-CB 3.95Å; M794-C807 HydrophobicContact CG-CB 4.26Å; M794-I810 HydrophobicContact CE-CB 4.45Å; M794-I810 HydrophobicContact CE-CG2 4.33Å; M794-I810 HydrophobicContact SD-CB 4.35Å; M794-I810 HydrophobicContact SD-CG2 3.8Å; M794-L811 HydrophobicContact CE-CD1 4.33Å; M794-L811 HydrophobicContact CE-CD2 3.4Å; M794-L811 VanDerWaalsContact CE-CD2 3.4Å; M794-L811 HydrophobicContact CE-CG 3.5Å; M794-L811 VanDerWaalsContact CE-CG 3.5Å; M794-L846 HydrophobicContact CB-CD1 4.43Å; M794-L846 HydrophobicContact CB-CD2 3.76Å; M794-L846 HydrophobicContact CE-CD1 4.02Å; M794-L846 HydrophobicContact SD-CD1 4.46Å
795L83.7Confident85.1Confident19 Ų1913.3 Ų13.310%0.0997%0.07CC..Hα-helixtrans-66.3-38174.2-76.4170000112.4L673 Y791 D792 L793 A798 E799 Y845 L846 K849L673-L795 HydrophobicContact CD1-CD1 4.19Å; Y791-L795 WeakPolarHBondContact O-CG 3.32Å; Y791-L795 PolarHBondContact O-N 3.23Å; D792-L795 WeakPolarHBondContact O-CB 3.31Å; D792-L795 PolarHBondContact O-N 3.49Å; L793-L795 PolarHBondContact O-N 2.87Å; L795-A798 WeakPolarHBondContact O-CB 3.41Å; L795-A798 PolarHBondContact O-N 3.38Å; L795-E799 PolarHBondContact O-N 3.28Å; L795-Y845 HydrophobicContact CD1-CE1 4.16Å; L795-Y845 HydrophobicContact CD2-CD1 3.75Å; L795-Y845 HydrophobicContact CD2-CE1 3.46Å; L795-Y845 VanDerWaalsContact CD2-CE1 3.46Å; L795-Y845 HydrophobicContact CG-CE1 4.48Å; L795-L846 HydrophobicContact CD2-CD2 3.64Å; L795-L846 HydrophobicContact CD2-CG 4.28Å; L795-L846 HydrophobicContact CG-CD2 3.78Å; L795-K849 HydrophobicContact CD2-CD 3.81Å; L795-K849 PolarHBondContact O-NZ 3.19Å
796I84.2Confident85.4Confident10 Ų1010.9 Ų10.95%0.0516%0.057CC..Hα-helixtrans-65.3-47.7173.1-66.8172.2000110I719 I722 D723 C726 Y737 L745 D792 L793 A798 E799I719-I796 HydrophobicContact CG2-CD1 3.99Å; I722-I796 HydrophobicContact CB-CD1 4.42Å; I722-I796 HydrophobicContact CG2-CD1 4Å; D723-I796 HydrophobicContact CB-CD1 4.12Å; C726-I796 HydrophobicContact CB-CG2 3.93Å; Y737-I796 HydrophobicContact CD1-CG2 4.47Å; Y737-I796 HydrophobicContact CE1-CG2 4.23Å; L745-I796 HydrophobicContact CD2-CB 4.04Å; L745-I796 HydrophobicContact CD2-CG2 3.9Å; D792-I796 PolarHBondContact O-N 2.91Å; L793-I796 PolarHBondContact O-N 2.68Å; I796-A798 PolarHBondContact O-N 3.09Å; I796-A798 VanDerWaalsContact O-N 3.16Å; I796-E799 WeakPolarHBondContact O-CB 3.47Å; I796-E799 PolarHBondContact O-N 2.99Å
797A86.5Confident85.6Confident0 Ų08.9 Ų8.90%04%0.044CC..Hα-helixtrans-57.6-32.2175.100000112A746 L793 M794 E799 A800 C803 L804A746-A797 HydrophobicContact CB-CB 4.11Å; L793-A797 PolarHBondContact O-N 2.89Å; M794-A797 PolarHBondContact O-N 3.25Å; A797-E799 VanDerWaalsContact C-N 3.25Å; A797-E799 PolarHBondContact O-N 3.03Å; A797-A800 PolarHBondContact O-N 3.48Å; A797-A800 VanDerWaalsContact O-O 3.11Å; A797-C803 HydrophobicContact CB-CB 4.41Å; A797-C803 VanDerWaalsContact O-CB 3.3Å; A797-C803 WeakPolarHBondContact O-CB 3.32Å; A797-L804 PolarHBondContact O-N 3.24Å
798A81.9Confident85.6Confident7 Ų79 Ų96%0.0585%0.045CC..THydrogen-bonded Turntrans-72.7-10.6175.600000114.6M794 L795 I796 A800 L804 K849 V851M794-A798 VanDerWaalsContact O-CB 3.31Å; M794-A798 WeakPolarHBondContact O-CB 3.4Å; M794-A798 PolarHBondContact O-N 3.4Å; L795-A798 WeakPolarHBondContact O-CB 3.41Å; L795-A798 PolarHBondContact O-N 3.38Å; I796-A798 PolarHBondContact O-N 3.09Å; I796-A798 VanDerWaalsContact O-N 3.16Å; A798-A800 VanDerWaalsContact C-N 3.34Å; A798-L804 HydrophobicContact CB-CB 3.98Å; A798-L804 HydrophobicContact CB-CD1 4.33Å; A798-L804 HydrophobicContact CB-CD2 3.82Å; A798-L804 HydrophobicContact CB-CG 4.24Å; A798-K849 HydrophobicContact CB-CD 3.9Å; A798-V851 WeakPolarHBondContact O-CG2 3.33Å
799E78.6Confident85.8Confident42 Ų429 Ų920%0.1965%0.045CC..THydrogen-bonded Turntrans-77.5-21.5175-60.6-73.1174.500112.4R696 Y737 L795 I796 A797 K849R696-E799 IonicContact NH1-OE1 3.46Å; Y737-E799 HydrophobicContact CD2-CB 3.34Å; Y737-E799 HydrophobicContact CD2-CG 3.95Å; Y737-E799 HydrophobicContact CE2-CB 3.46Å; Y737-E799 VanDerWaalsContact CE2-CB 3.46Å; Y737-E799 HydrophobicContact CE2-CG 3.48Å; Y737-E799 VanDerWaalsContact CE2-CG 3.48Å; Y737-E799 HydrophobicContact CG-CB 3.93Å; L795-E799 PolarHBondContact O-N 3.28Å; I796-E799 WeakPolarHBondContact O-CB 3.47Å; I796-E799 PolarHBondContact O-N 2.99Å; A797-E799 VanDerWaalsContact C-N 3.25Å; A797-E799 PolarHBondContact O-N 3.03Å; E799-K849 VanDerWaalsContact OE1-CE 3.22Å; E799-K849 WeakPolarHBondContact OE1-CE 3.47Å; E799-K849 IonicContact OE1-NZ 2.75Å; E799-K849 PolarHBondContact OE1-NZ 3.08Å; E799-K849 IonicContact OE2-NZ 3.37Å
800A80.8Confident86Confident8 Ų89 Ų97%0.0665%0.045CC..SBendtrans-114.9107.9175.700000109.9I739 C742 A797 A798 C803I739-A800 HydrophobicContact CB-CB 4.46Å; I739-A800 HydrophobicContact CG1-CB 4.33Å; C742-A800 HydrophobicContact CB-CB 3.58Å; A797-A800 PolarHBondContact O-N 3.48Å; A797-A800 VanDerWaalsContact O-O 3.11Å; A798-A800 VanDerWaalsContact C-N 3.34Å; A800-C803 WeakPolarHBondContact O-CB 3.06Å; A800-C803 PolarHBondContact O-N 2.78Å; A800-C803 PolarHBondContact O-SG 3.46Å
801Y80.6Confident85.9Confident32 Ų329.1 Ų9.113%0.1255%0.046CC..THydrogen-bonded Turntrans-73.4137.5176.9-178.3-100.6000110.8I739 W805 Q865 G866 Y912 L926I739-Y801 VanDerWaalsContact CD1-O 3.29Å; I739-Y801 WeakPolarHBondContact CD1-O 3.43Å; Y801-W805 AromaticContact CE2-CD1 3.99Å; Y801-W805 AromaticContact CE2-NE1 3.55Å; Y801-Q865 PolarHBondContact OH-O 3.04Å; Y801-G866 VanDerWaalsContact CD2-CA 3.47Å; Y801-G866 VanDerWaalsContact CD2-O 3.29Å; Y801-G866 WeakPolarHBondContact CD2-O 3.15Å; Y801-Y912 HydrophobicContact CD1-CE1 4.15Å; Y801-Y912 AromaticContact CE1-CE1 3.47Å; Y801-Y912 HydrophobicContact CE1-CE1 3.47Å; Y801-Y912 VanDerWaalsContact CE1-CE1 3.47Å; Y801-Y912 AromaticContact CE1-CZ 3.78Å; Y801-Y912 WeakPolarHBondContact CE1-OH 3.49Å; Y801-L926 HydrophobicContact CE1-CD1 4.22Å; Y801-L926 WeakPolarHBondContact OH-CB 3.41Å; Y801-L926 WeakPolarHBondContact OH-CD1 3.24Å; Y801-L926 PolarHBondContact OH-N 3.32Å
802P85.8Confident86.1Confident1 Ų18.2 Ų8.21%0.0064%0.042CC..THydrogen-bonded Turncis-98.926.34.141-41.3000114.1L804 W805 F806 L909 Y912 I916 L926P802-L804 VanDerWaalsContact C-N 3.29Å; P802-L804 PolarHBondContact O-N 3.4Å; P802-L804 VanDerWaalsContact O-N 3.09Å; P802-W805 HydrophobicContact CB-CG 4.47Å; P802-W805 VanDerWaalsContact O-CB 3.25Å; P802-W805 WeakPolarHBondContact O-CB 3.39Å; P802-W805 PolarHBondContact O-N 3.31Å; P802-F806 HydrophobicContact CG-CE2 4.33Å; P802-L909 HydrophobicContact CB-CD1 4.03Å; P802-L909 HydrophobicContact CG-CD1 4.04Å; P802-Y912 HydrophobicContact CB-CD1 4.43Å; P802-Y912 HydrophobicContact CG-CD1 3.96Å; P802-Y912 HydrophobicContact CG-CE1 4.38Å; P802-I916 HydrophobicContact CG-CD1 4.27Å; P802-L926 HydrophobicContact CB-CD1 3.41Å; P802-L926 VanDerWaalsContact CB-CD1 3.41Å; P802-L926 HydrophobicContact CG-CD1 4.03Å
803C89.1Confident86.3Confident0 Ų07.5 Ų7.50%04%0.038CC..G310 helixtrans-57.5-33.3-164.6-56.80000114.5C742 H743 A746 A797 A800 W805 F806C742-C803 HydrophobicContact CB-CB 4.04Å; H743-C803 VanDerWaalsContact CA-SG 3.59Å; H743-C803 PolarHBondContact N-SG 2.65Å; A746-C803 WeakPolarHBondContact CB-O 3.48Å; A797-C803 HydrophobicContact CB-CB 4.41Å; A797-C803 VanDerWaalsContact O-CB 3.3Å; A797-C803 WeakPolarHBondContact O-CB 3.32Å; A800-C803 WeakPolarHBondContact O-CB 3.06Å; A800-C803 PolarHBondContact O-N 2.78Å; A800-C803 PolarHBondContact O-SG 3.46Å; C803-W805 PolarHBondContact O-N 2.92Å; C803-F806 WeakPolarHBondContact O-CB 3.48Å; C803-F806 PolarHBondContact O-N 3.22Å
804L88Confident86.3Confident13 Ų137.6 Ų7.67%0.0684%0.039CC..G310 helixtrans-59.9-29.4174.3-177.465.5000113.4M794 A797 A798 P802 F806 C807 L811 L846 I868M794-L804 HydrophobicContact CB-CD1 4Å; M794-L804 HydrophobicContact CE-CD1 3.96Å; A797-L804 PolarHBondContact O-N 3.24Å; A798-L804 HydrophobicContact CB-CB 3.98Å; A798-L804 HydrophobicContact CB-CD1 4.33Å; A798-L804 HydrophobicContact CB-CD2 3.82Å; A798-L804 HydrophobicContact CB-CG 4.24Å; P802-L804 VanDerWaalsContact C-N 3.29Å; P802-L804 PolarHBondContact O-N 3.4Å; P802-L804 VanDerWaalsContact O-N 3.09Å; L804-F806 PolarHBondContact O-N 3.19Å; L804-C807 HydrophobicContact CD1-CB 4.35Å; L804-C807 WeakPolarHBondContact O-CA 3.5Å; L804-C807 WeakPolarHBondContact O-CB 3.28Å; L804-C807 PolarHBondContact O-N 3.05Å; L804-L811 HydrophobicContact CD1-CD1 4.32Å; L804-L811 HydrophobicContact CD2-CD1 4.41Å; L804-L811 HydrophobicContact CG-CD1 4.17Å; L804-L846 HydrophobicContact CD1-CD2 4.26Å; L804-L846 VanDerWaalsContact CD2-O 3.28Å; L804-L846 WeakPolarHBondContact CD2-O 3.38Å; L804-I868 HydrophobicContact CD2-CD1 3.6Å; L804-I868 HydrophobicContact CD2-CG1 4.43Å; L804-I868 HydrophobicContact CG-CD1 3.81Å
805W87.1Confident86.4Confident4 Ų47.7 Ų7.72%0.0154%0.039CC..G310 helixtrans-62.6-24.6175.8-72.4102.3000112.6Y801 P802 C803 C807 L808 I868 A903 P904 L909Y801-W805 AromaticContact CE2-CD1 3.99Å; Y801-W805 AromaticContact CE2-NE1 3.55Å; P802-W805 HydrophobicContact CB-CG 4.47Å; P802-W805 VanDerWaalsContact O-CB 3.25Å; P802-W805 WeakPolarHBondContact O-CB 3.39Å; P802-W805 PolarHBondContact O-N 3.31Å; C803-W805 PolarHBondContact O-N 2.92Å; W805-C807 PolarHBondContact O-N 2.86Å; W805-L808 HydrophobicContact CE3-CD1 3.91Å; W805-L808 HydrophobicContact CE3-CD2 4.34Å; W805-L808 HydrophobicContact CZ3-CD1 4.03Å; W805-L808 WeakPolarHBondContact O-CB 3.44Å; W805-L808 PolarHBondContact O-N 3.03Å; W805-L808 VanDerWaalsContact O-N 3.16Å; W805-I868 HydrophobicContact CD2-CD1 4.37Å; W805-I868 HydrophobicContact CD2-CG1 3.9Å; W805-I868 HydrophobicContact CE3-CD1 4.45Å; W805-I868 HydrophobicContact CE3-CG1 4.18Å; W805-I868 HydrophobicContact CG-CG1 4.49Å; W805-I868 HydrophobicContact CH2-CB 4.09Å; W805-I868 HydrophobicContact CH2-CG1 4.12Å; W805-I868 HydrophobicContact CH2-CG2 3.74Å; W805-I868 HydrophobicContact CZ2-CB 4.06Å; W805-I868 HydrophobicContact CZ2-CG1 3.85Å; W805-I868 HydrophobicContact CZ2-CG2 4.24Å; W805-I868 HydrophobicContact CZ3-CB 4.48Å; W805-I868 HydrophobicContact CZ3-CG1 4.26Å; W805-I868 HydrophobicContact CZ3-CG2 3.89Å; W805-A903 HydrophobicContact CZ3-CB 4.34Å; W805-P904 HydrophobicContact CD2-CG 4.16Å; W805-P904 HydrophobicContact CE3-CG 3.85Å; W805-P904 HydrophobicContact CZ3-CG 4.08Å; W805-L909 HydrophobicContact CB-CD1 3.55Å; W805-L909 HydrophobicContact CB-CD2 3.76Å; W805-L909 HydrophobicContact CB-CG 4.32Å; W805-L909 HydrophobicContact CG-CD1 4.15Å
806F88.4Confident86.7Confident3 Ų36.8 Ų6.81%0.0133%0.034CC..G310 helixtrans-72.3-17.2172.9-65.7-92.4000112.3H743 A746 V747 L750 Y762 P802 C803 L804 L909 Q910 Y913H743-F806 AromaticContact CD2-CD1 3.88Å; H743-F806 AromaticContact CD2-CD2 3.62Å; H743-F806 AromaticContact CD2-CE1 3.66Å; H743-F806 AromaticContact CD2-CE2 3.38Å; H743-F806 WeakPolarHBondContact CD2-CE2 3.42Å; H743-F806 AromaticContact CD2-CG 3.85Å; H743-F806 AromaticContact CD2-CZ 3.38Å; H743-F806 WeakPolarHBondContact CD2-CZ 3.36Å; H743-F806 AromaticContact NE2-CD1 3.72Å; H743-F806 AromaticContact NE2-CE1 3.31Å; H743-F806 VanDerWaalsContact NE2-CE1 3.31Å; H743-F806 WeakPolarHBondContact NE2-CE1 3.45Å; H743-F806 AromaticContact NE2-CE2 3.92Å; H743-F806 AromaticContact NE2-CZ 3.4Å; H743-F806 WeakPolarHBondContact NE2-CZ 3.26Å; A746-F806 HydrophobicContact CB-CB 3.78Å; V747-F806 HydrophobicContact CG2-CB 4.38Å; V747-F806 HydrophobicContact CG2-CD1 4.05Å; V747-F806 HydrophobicContact CG2-CG 4.39Å; L750-F806 WeakPolarHBondContact CD2-O 3.22Å; Y762-F806 PolarHBondContact OH-O 3.35Å; Y762-F806 VanDerWaalsContact OH-O 3.11Å; P802-F806 HydrophobicContact CG-CE2 4.33Å; C803-F806 WeakPolarHBondContact O-CB 3.48Å; C803-F806 PolarHBondContact O-N 3.22Å; L804-F806 PolarHBondContact O-N 3.19Å; F806-L909 HydrophobicContact CD1-CD2 3.8Å; F806-L909 HydrophobicContact CD1-CG 4.42Å; F806-L909 HydrophobicContact CD2-CD1 4.45Å; F806-L909 HydrophobicContact CD2-CD2 3.88Å; F806-L909 HydrophobicContact CD2-CG 4.25Å; F806-L909 HydrophobicContact CE1-CD2 3.81Å; F806-L909 HydrophobicContact CE1-CG 3.94Å; F806-L909 HydrophobicContact CE2-CD1 3.96Å; F806-L909 HydrophobicContact CE2-CD2 3.9Å; F806-L909 HydrophobicContact CE2-CG 3.75Å; F806-L909 HydrophobicContact CG-CD2 3.86Å; F806-L909 HydrophobicContact CZ-CD1 4.25Å; F806-L909 HydrophobicContact CZ-CD2 3.88Å; F806-L909 HydrophobicContact CZ-CG 3.6Å; F806-Q910 HydrophobicContact CE1-CG 4.41Å; F806-Y913 HydrophobicContact CZ-CG 4.23Å
807C89.1Confident87Confident0 Ų06.6 Ų6.60%03%0.034CC..G310 helixtrans-92.59.8170.9-57.50000113.3A746 M794 L804 W805 P809 I810 L811A746-C807 VanDerWaalsContact CA-SG 3.56Å; A746-C807 VanDerWaalsContact CB-SG 3.56Å; M794-C807 HydrophobicContact CE-CB 3.95Å; M794-C807 HydrophobicContact CG-CB 4.26Å; L804-C807 HydrophobicContact CD1-CB 4.35Å; L804-C807 WeakPolarHBondContact O-CA 3.5Å; L804-C807 WeakPolarHBondContact O-CB 3.28Å; L804-C807 PolarHBondContact O-N 3.05Å; W805-C807 PolarHBondContact O-N 2.86Å; C807-P809 VanDerWaalsContact C-N 3.31Å; C807-I810 HydrophobicContact CB-CD1 4.49Å; C807-I810 WeakPolarHBondContact O-CB 3.22Å; C807-I810 PolarHBondContact O-N 3.16Å; C807-L811 PolarHBondContact O-N 3.15Å; C807-L811 VanDerWaalsContact O-N 3.13Å
808L87.9Confident87.2Confident4 Ų46.8 Ų6.82%0.0214%0.035CC..Hα-helixtrans-50.3-39.1178.8-163.870.1000114.7W764 W805 I810 L811 K812 A903W764-L808 HydrophobicContact CE3-CD1 4.24Å; W764-L808 HydrophobicContact CE3-CD2 4.07Å; W764-L808 HydrophobicContact CE3-CG 4.09Å; W764-L808 HydrophobicContact CZ3-CD1 3.53Å; W764-L808 HydrophobicContact CZ3-CD2 4.16Å; W764-L808 HydrophobicContact CZ3-CG 3.7Å; W805-L808 HydrophobicContact CE3-CD1 3.91Å; W805-L808 HydrophobicContact CE3-CD2 4.34Å; W805-L808 HydrophobicContact CZ3-CD1 4.03Å; W805-L808 WeakPolarHBondContact O-CB 3.44Å; W805-L808 PolarHBondContact O-N 3.03Å; W805-L808 VanDerWaalsContact O-N 3.16Å; L808-I810 VanDerWaalsContact C-N 3.25Å; L808-I810 PolarHBondContact O-N 3.02Å; L808-L811 HydrophobicContact CD1-CD1 4.49Å; L808-L811 PolarHBondContact O-N 3.47Å; L808-K812 WeakPolarHBondContact O-CB 3.48Å; L808-K812 PolarHBondContact O-N 2.8Å; L808-A903 HydrophobicContact CD2-CB 3.99Å
809P87.1Confident87.5Confident9 Ų96.5 Ų6.56%0.0583%0.032CC..Hα-helixtrans-62.2-34.5178.2-14.925.2000112.5L750 R761 C807 A813L750-P809 HydrophobicContact CD1-CB 3.64Å; L750-P809 HydrophobicContact CD1-CG 3.4Å; L750-P809 VanDerWaalsContact CD1-CG 3.4Å; L750-P809 HydrophobicContact CD2-CG 3.81Å; L750-P809 HydrophobicContact CG-CG 4.25Å; R761-P809 HydrophobicContact CB-CG 4.02Å; R761-P809 WeakPolarHBondContact O-CB 3.37Å; R761-P809 WeakPolarHBondContact O-CG 3.5Å; C807-P809 VanDerWaalsContact C-N 3.31Å; P809-A813 PolarHBondContact O-N 3.06Å; P809-A813 VanDerWaalsContact O-N 3.08Å
810I89.8Confident88Confident0 Ų06 Ų60%03%0.033CC..Hα-helixtrans-69.6-48175.3-56.2174.9000109.3L749 L750 V753 V784 M794 C807 L808 K812 A813 L814L749-I810 HydrophobicContact CD2-CD1 4.48Å; L749-I810 HydrophobicContact CG-CD1 4.07Å; L750-I810 HydrophobicContact CD1-CG1 4.3Å; V753-I810 HydrophobicContact CB-CD1 4.06Å; V753-I810 HydrophobicContact CB-CG1 4.47Å; V753-I810 HydrophobicContact CG1-CD1 4.21Å; V753-I810 HydrophobicContact CG1-CG1 4.22Å; V753-I810 HydrophobicContact CG2-CD1 4.29Å; V784-I810 HydrophobicContact CG2-CG2 3.95Å; M794-I810 HydrophobicContact CE-CB 4.45Å; M794-I810 HydrophobicContact CE-CG2 4.33Å; M794-I810 HydrophobicContact SD-CB 4.35Å; M794-I810 HydrophobicContact SD-CG2 3.8Å; C807-I810 HydrophobicContact CB-CD1 4.49Å; C807-I810 WeakPolarHBondContact O-CB 3.22Å; C807-I810 PolarHBondContact O-N 3.16Å; L808-I810 VanDerWaalsContact C-N 3.25Å; L808-I810 PolarHBondContact O-N 3.02Å; I810-K812 VanDerWaalsContact C-N 3.29Å; I810-K812 PolarHBondContact O-N 3.33Å; I810-A813 PolarHBondContact O-N 2.97Å; I810-L814 HydrophobicContact CG2-CD1 4.15Å; I810-L814 HydrophobicContact CG2-CG 4.45Å; I810-L814 VanDerWaalsContact O-CG 3.32Å; I810-L814 WeakPolarHBondContact O-CG 3.35Å; I810-L814 PolarHBondContact O-N 3.13Å
811L88.7Confident88.4Confident1 Ų110.1 Ų10.11%0.0055%0.046CC..Hα-helixtrans-57.4-41.8175.6-71.7173.2000112.2M794 L804 C807 L808 L814 L815 W843 L846 I868M794-L811 HydrophobicContact CE-CD1 4.33Å; M794-L811 HydrophobicContact CE-CD2 3.4Å; M794-L811 VanDerWaalsContact CE-CD2 3.4Å; M794-L811 HydrophobicContact CE-CG 3.5Å; M794-L811 VanDerWaalsContact CE-CG 3.5Å; L804-L811 HydrophobicContact CD1-CD1 4.32Å; L804-L811 HydrophobicContact CD2-CD1 4.41Å; L804-L811 HydrophobicContact CG-CD1 4.17Å; C807-L811 PolarHBondContact O-N 3.15Å; C807-L811 VanDerWaalsContact O-N 3.13Å; L808-L811 HydrophobicContact CD1-CD1 4.49Å; L808-L811 PolarHBondContact O-N 3.47Å; L811-L814 PolarHBondContact O-N 2.86Å; L811-L815 PolarHBondContact O-N 3.45Å; L811-W843 PolarHBondContact O-NE1 3.19Å; L811-L846 HydrophobicContact CD2-CB 4.22Å; L811-L846 HydrophobicContact CD2-CD1 4.11Å; L811-I868 HydrophobicContact CD1-CD1 3.48Å; L811-I868 VanDerWaalsContact CD1-CD1 3.48Å
812K88.6Confident88.8Confident4 Ų48.7 Ų8.72%0.0174%0.041CC..Hα-helixtrans-60.4-47.4176.5-174.9-176.9-178.1-167.30110.7H763 W764 E765 Y777 L808 I810 L814 L815 A816 W896H763-K812 PolarHBondContact O-NZ 3.44Å; W764-K812 HydrophobicContact CD2-CD 4.47Å; W764-K812 HydrophobicContact CD2-CG 4.39Å; W764-K812 HydrophobicContact CE3-CG 4.49Å; W764-K812 HydrophobicContact CH2-CB 3.89Å; W764-K812 HydrophobicContact CH2-CG 4.18Å; W764-K812 HydrophobicContact CZ2-CB 4.29Å; W764-K812 HydrophobicContact CZ2-CG 4.09Å; W764-K812 HydrophobicContact CZ3-CB 4.03Å; W764-K812 HydrophobicContact CZ3-CG 4.39Å; E765-K812 IonicContact OE2-NZ 2.74Å; E765-K812 PolarHBondContact OE2-NZ 3.34Å; Y777-K812 HydrophobicContact CE1-CD 4.33Å; Y777-K812 HydrophobicContact CE1-CG 4.45Å; Y777-K812 WeakPolarHBondContact OH-CE 3.15Å; Y777-K812 PolarHBondContact OH-NZ 3.38Å; L808-K812 WeakPolarHBondContact O-CB 3.48Å; L808-K812 PolarHBondContact O-N 2.8Å; I810-K812 VanDerWaalsContact C-N 3.29Å; I810-K812 PolarHBondContact O-N 3.33Å; K812-L814 PolarHBondContact O-N 3Å; K812-L815 PolarHBondContact O-N 3.24Å; K812-A816 VanDerWaalsContact O-CB 3.24Å; K812-A816 WeakPolarHBondContact O-CB 3.38Å; K812-A816 PolarHBondContact O-N 3.17Å; K812-W896 HydrophobicContact CD-CH2 4.39Å; K812-W896 HydrophobicContact CG-CH2 3.6Å; K812-W896 HydrophobicContact CG-CZ2 4.39Å; K812-W896 HydrophobicContact CG-CZ3 4.2Å
813A89.1Confident88.8Confident0 Ų010.8 Ų10.80%05%0.05CC..Hα-helixtrans-63.5-41.7178.400000112.7Y777 I780 P809 I810 T817Y777-A813 HydrophobicContact CD1-CB 3.69Å; Y777-A813 HydrophobicContact CG-CB 4.13Å; I780-A813 HydrophobicContact CB-CB 3.79Å; I780-A813 HydrophobicContact CD1-CB 3.75Å; I780-A813 HydrophobicContact CG1-CB 4.4Å; I780-A813 HydrophobicContact CG2-CB 3.65Å; P809-A813 PolarHBondContact O-N 3.06Å; P809-A813 VanDerWaalsContact O-N 3.08Å; I810-A813 PolarHBondContact O-N 2.97Å; A813-T817 WeakPolarHBondContact O-CB 3.29Å; A813-T817 VanDerWaalsContact O-CG2 3.29Å; A813-T817 WeakPolarHBondContact O-CG2 3.4Å; A813-T817 PolarHBondContact O-N 3.19Å; A813-T817 PolarHBondContact O-OG1 2.91Å
814L89.7Confident88.6Confident3 Ų314.8 Ų14.82%0.0168%0.079CC..Hα-helixtrans-65.3-42.2177.1-67.5177.2000111.9R781 V784 Y791 I810 L811 K812 T817 T818R781-L814 HydrophobicContact CB-CD2 4.37Å; R781-L814 HydrophobicContact CG-CD2 4.16Å; V784-L814 HydrophobicContact CB-CD2 4.23Å; V784-L814 HydrophobicContact CG1-CD1 4.4Å; V784-L814 HydrophobicContact CG1-CD2 4.05Å; V784-L814 HydrophobicContact CG2-CD2 4.42Å; Y791-L814 HydrophobicContact CE1-CD1 3.71Å; Y791-L814 WeakPolarHBondContact OH-CD2 3.43Å; I810-L814 HydrophobicContact CG2-CD1 4.15Å; I810-L814 HydrophobicContact CG2-CG 4.45Å; I810-L814 VanDerWaalsContact O-CG 3.32Å; I810-L814 WeakPolarHBondContact O-CG 3.35Å; I810-L814 PolarHBondContact O-N 3.13Å; L811-L814 PolarHBondContact O-N 2.86Å; K812-L814 PolarHBondContact O-N 3Å; L814-T817 PolarHBondContact O-OG1 3.37Å; L814-T817 VanDerWaalsContact O-OG1 3.07Å; L814-T818 WeakPolarHBondContact O-CB 3.26Å; L814-T818 PolarHBondContact O-N 2.82Å; L814-T818 PolarHBondContact O-OG1 3.43Å
815L90.9Very high88.4Confident1 Ų115.3 Ų15.31%0.0058%0.084CC..Hα-helixtrans-66.2-50.5174.7-172.861.5000110.8W764 L811 K812 T817 T818 V819 W843 M892 W896 L899W764-L815 HydrophobicContact CZ2-CD2 4.06Å; L811-L815 PolarHBondContact O-N 3.45Å; K812-L815 PolarHBondContact O-N 3.24Å; L815-T817 VanDerWaalsContact C-N 3.33Å; L815-T817 PolarHBondContact O-N 3.24Å; L815-T818 CarbonylContact O-C 3.6Å; L815-T818 WeakPolarHBondContact O-CA 3.16Å; L815-T818 WeakPolarHBondContact O-CB 3.45Å; L815-T818 PolarHBondContact O-N 3.37Å; L815-V819 HydrophobicContact CD1-CG2 4.14Å; L815-V819 HydrophobicContact CG-CG2 4.17Å; L815-V819 WeakPolarHBondContact O-CG2 3.35Å; L815-V819 PolarHBondContact O-N 3.04Å; L815-W843 HydrophobicContact CB-CZ2 4.09Å; L815-W843 HydrophobicContact CD1-CD2 4.13Å; L815-W843 HydrophobicContact CD1-CE3 4.26Å; L815-W843 HydrophobicContact CD1-CH2 4.38Å; L815-W843 HydrophobicContact CD1-CZ2 4.27Å; L815-W843 HydrophobicContact CD1-CZ3 4.37Å; L815-W843 HydrophobicContact CD2-CH2 3.88Å; L815-W843 HydrophobicContact CD2-CZ2 3.65Å; L815-W843 HydrophobicContact CG-CZ2 4.21Å; L815-M892 HydrophobicContact CD1-SD 4.35Å; L815-W896 HydrophobicContact CB-CE3 4.46Å; L815-W896 HydrophobicContact CB-CZ3 4.28Å; L815-W896 HydrophobicContact CD2-CE3 3.71Å; L815-W896 HydrophobicContact CD2-CZ3 4.29Å; L815-W896 HydrophobicContact CG-CE3 4Å; L815-W896 HydrophobicContact CG-CZ3 4.31Å; L815-L899 HydrophobicContact CD2-CD1 4.26Å
816A89.7Confident88.1Confident0 Ų020 Ų200%012%0.124CC..Hα-helixtrans-56.2-47.7-17600000111.9W767 I774 Y777 K812 T818 V819 V820 W896W767-A816 HydrophobicContact CZ3-CB 4.29Å; I774-A816 HydrophobicContact CD1-CB 4.25Å; Y777-A816 HydrophobicContact CD2-CB 3.61Å; Y777-A816 HydrophobicContact CE2-CB 4.15Å; Y777-A816 HydrophobicContact CG-CB 4.1Å; K812-A816 VanDerWaalsContact O-CB 3.24Å; K812-A816 WeakPolarHBondContact O-CB 3.38Å; K812-A816 PolarHBondContact O-N 3.17Å; A816-T818 VanDerWaalsContact C-N 3.3Å; A816-T818 PolarHBondContact O-N 3.11Å; A816-V819 PolarHBondContact O-N 2.95Å; A816-V820 WeakPolarHBondContact O-CG2 3.28Å; A816-V820 PolarHBondContact O-N 3.16Å; A816-W896 HydrophobicContact CB-CH2 3.79Å; A816-W896 HydrophobicContact CB-CZ3 3.67Å
817T89.6Confident87.8Confident7 Ų724.2 Ų24.24%0.04315%0.147CC..Hα-helixtrans-66.1-31.9177.652.70000112.9I774 I778 R781 A813 L814 L815 R821I774-T817 HydrophobicContact CD1-CG2 4.26Å; I778-T817 HydrophobicContact CG1-CG2 3.97Å; R781-T817 HydrophobicContact CB-CG2 4.05Å; R781-T817 WeakPolarHBondContact CD-OG1 3.38Å; R781-T817 PolarHBondContact NH1-OG1 3.17Å; A813-T817 WeakPolarHBondContact O-CB 3.29Å; A813-T817 VanDerWaalsContact O-CG2 3.29Å; A813-T817 WeakPolarHBondContact O-CG2 3.4Å; A813-T817 PolarHBondContact O-N 3.19Å; A813-T817 PolarHBondContact O-OG1 2.91Å; L814-T817 PolarHBondContact O-OG1 3.37Å; L814-T817 VanDerWaalsContact O-OG1 3.07Å; L815-T817 VanDerWaalsContact C-N 3.33Å; L815-T817 PolarHBondContact O-N 3.24Å; T817-R821 WeakPolarHBondContact O-CG 3.38Å; T817-R821 PolarHBondContact O-N 3.47Å; T817-R821 VanDerWaalsContact O-N 3.11Å
818T90.4Very high87.6Confident4 Ų429.4 Ų29.43%0.02517%0.169CC..Hα-helixtrans-71.5-42.1175.4-550000111.1R781 L814 L815 A816 R821 L822 V836 A839 L840R781-T818 PolarHBondContact NH1-OG1 3.01Å; L814-T818 WeakPolarHBondContact O-CB 3.26Å; L814-T818 PolarHBondContact O-N 2.82Å; L814-T818 PolarHBondContact O-OG1 3.43Å; L815-T818 CarbonylContact O-C 3.6Å; L815-T818 WeakPolarHBondContact O-CA 3.16Å; L815-T818 WeakPolarHBondContact O-CB 3.45Å; L815-T818 PolarHBondContact O-N 3.37Å; A816-T818 VanDerWaalsContact C-N 3.3Å; A816-T818 PolarHBondContact O-N 3.11Å; T818-R821 PolarHBondContact O-N 3.03Å; T818-L822 PolarHBondContact O-N 3.46Å; T818-V836 HydrophobicContact CG2-CG1 3.86Å; T818-A839 HydrophobicContact CG2-CB 4.19Å; T818-L840 HydrophobicContact CG2-CD2 3.73Å; T818-L840 HydrophobicContact CG2-CG 3.92Å
819V89.5Confident87.4Confident0 Ų033.4 Ų33.40%020%0.198CC..Hα-helixtrans-63.8-40.7174.4179.30000111.2W767 L815 A816 R821 L822 E823 M892 R893W767-V819 HydrophobicContact CD2-CG1 4.38Å; W767-V819 HydrophobicContact CE3-CG1 4.34Å; W767-V819 HydrophobicContact CH2-CB 3.51Å; W767-V819 HydrophobicContact CH2-CG1 3.38Å; W767-V819 HydrophobicContact CZ2-CB 4.06Å; W767-V819 HydrophobicContact CZ2-CG1 3.41Å; W767-V819 VanDerWaalsContact CZ2-CG1 3.41Å; W767-V819 HydrophobicContact CZ3-CB 3.92Å; W767-V819 HydrophobicContact CZ3-CG1 3.88Å; L815-V819 HydrophobicContact CD1-CG2 4.14Å; L815-V819 HydrophobicContact CG-CG2 4.17Å; L815-V819 WeakPolarHBondContact O-CG2 3.35Å; L815-V819 PolarHBondContact O-N 3.04Å; A816-V819 PolarHBondContact O-N 2.95Å; V819-R821 VanDerWaalsContact C-N 3.33Å; V819-R821 PolarHBondContact O-N 2.78Å; V819-L822 WeakPolarHBondContact O-CB 3.45Å; V819-L822 PolarHBondContact O-N 3.44Å; V819-E823 PolarHBondContact O-N 3.43Å; V819-M892 HydrophobicContact CG2-CB 3.72Å; V819-M892 HydrophobicContact CG2-CG 4.41Å; V819-R893 HydrophobicContact CG1-CG 4.49Å
820V89.3Confident87.4Confident33 Ų3336.2 Ų36.220%0.221%0.213CC..Hα-helixtrans-62.1-40.2174.31690000111.6W767 I774 A816 L822 E823 S824W767-V820 HydrophobicContact CH2-CG2 3.58Å; W767-V820 HydrophobicContact CZ2-CG2 3.85Å; I774-V820 HydrophobicContact CD1-CB 4.13Å; I774-V820 HydrophobicContact CD1-CG2 3.4Å; I774-V820 VanDerWaalsContact CD1-CG2 3.4Å; I774-V820 HydrophobicContact CG1-CB 4.4Å; I774-V820 HydrophobicContact CG1-CG1 4.45Å; I774-V820 HydrophobicContact CG1-CG2 3.76Å; A816-V820 WeakPolarHBondContact O-CG2 3.28Å; A816-V820 PolarHBondContact O-N 3.16Å; V820-L822 VanDerWaalsContact C-N 3.34Å; V820-L822 PolarHBondContact O-N 2.9Å; V820-E823 PolarHBondContact O-N 2.88Å; V820-S824 WeakPolarHBondContact O-CB 3.34Å; V820-S824 PolarHBondContact O-N 3.49Å; V820-S824 PolarHBondContact O-OG 2.9Å
821R88.4Confident87.1Confident94 Ų9441 Ų4136%0.35524%0.243SC..Hα-helixtrans-63.1-38.3175.6-73.4177.2-167.2-1754.9112.6R781 D785 T817 T818 V819 A825 V836R781-R821 VanDerWaalsContact NE-NH2 3.2Å; R781-R821 VanDerWaalsContact NH2-NH1 3.11Å; D785-R821 IonicContact OD2-NH2 2.68Å; T817-R821 WeakPolarHBondContact O-CG 3.38Å; T817-R821 PolarHBondContact O-N 3.47Å; T817-R821 VanDerWaalsContact O-N 3.11Å; T818-R821 PolarHBondContact O-N 3.03Å; V819-R821 VanDerWaalsContact C-N 3.33Å; V819-R821 PolarHBondContact O-N 2.78Å; R821-A825 PolarHBondContact O-N 3.17Å; R821-A825 VanDerWaalsContact O-N 3.15Å; R821-V836 HydrophobicContact CB-CG2 3.99Å
822L88Confident87Confident1 Ų142 Ų421%0.00525%0.248CC..Hα-helixtrans-64.6-42.2173.4-71.1170.2000111.4T818 V819 V820 I832 V836 N885 A888 C889 M892T818-L822 PolarHBondContact O-N 3.46Å; V819-L822 WeakPolarHBondContact O-CB 3.45Å; V819-L822 PolarHBondContact O-N 3.44Å; V820-L822 VanDerWaalsContact C-N 3.34Å; V820-L822 PolarHBondContact O-N 2.9Å; L822-I832 HydrophobicContact CD2-CD1 4.09Å; L822-I832 HydrophobicContact CD2-CG1 4.03Å; L822-I832 HydrophobicContact CD2-CG2 3.96Å; L822-V836 HydrophobicContact CD1-CG1 4.48Å; L822-V836 HydrophobicContact CD2-CG1 3.62Å; L822-V836 HydrophobicContact CG-CG1 3.86Å; L822-N885 HydrophobicContact CD2-CB 4.48Å; L822-N885 WeakPolarHBondContact CD2-OD1 3.45Å; L822-A888 HydrophobicContact CD1-CB 4.12Å; L822-A888 HydrophobicContact CD2-CB 4.03Å; L822-C889 HydrophobicContact CB-CB 4.07Å; L822-M892 HydrophobicContact CD1-CG 3.91Å
823E86Confident86.8Confident45 Ų4544.5 Ų44.521%0.2127%0.267CS..Hα-helixtrans-71.5-36-178.7-168.4175.9161.700112.7W767 K771 V819 V820 R893W767-E823 PolarHBondContact NE1-OE2 3.37Å; K771-E823 IonicContact NZ-OE1 3.87Å; K771-E823 PolarHBondContact NZ-OE1 2.94Å; K771-E823 IonicContact NZ-OE2 3.64Å; V819-E823 PolarHBondContact O-N 3.43Å; V820-E823 PolarHBondContact O-N 2.88Å; E823-R893 IonicContact OE1-NH2 2.81Å; E823-R893 PolarHBondContact OE1-NH2 3.41Å; E823-R893 IonicContact OE2-CZ 2.66Å; E823-R893 IonicContact OE2-NH2 3.64Å; E823-R893 PolarHBondContact OE2-NH2 3.06Å
824S86Confident86.4Confident85 Ų8548.6 Ų48.659%0.59430%0.295SS*.THydrogen-bonded Turntrans-89.52.1-179.370.80000114.3V820 A826V820-S824 WeakPolarHBondContact O-CB 3.34Å; V820-S824 PolarHBondContact O-N 3.49Å; V820-S824 PolarHBondContact O-OG 2.9Å; S824-A826 PolarHBondContact O-N 3.29Å
825A83.1Confident85.8Confident23 Ų2352.6 Ų52.619%0.1932%0.317CS..  trans-55.4129.5175.100000110.6R821 N827 N885R821-A825 PolarHBondContact O-N 3.17Å; R821-A825 VanDerWaalsContact O-N 3.15Å; A825-N827 VanDerWaalsContact C-N 3.28Å; A825-N827 PolarHBondContact O-N 3.3Å; A825-N885 HydrophobicContact CB-CB 3.99Å
826A80.6Confident85.6Confident103 Ų10352.8 Ų52.885%0.85132%0.318SS*.SBendtrans-55.9-44.5-175.700000112S824S824-A826 PolarHBondContact O-N 3.29Å
827N82.1Confident85.2Confident92 Ų9254.1 Ų54.149%0.49233%0.327SS..  trans-112.2103.1175-71.1-17.8000110.4A825 S829 D830A825-N827 VanDerWaalsContact C-N 3.28Å; A825-N827 PolarHBondContact O-N 3.3Å; N827-S829 PolarHBondContact O-N 2.98Å; N827-D830 HydrophobicContact CB-CB 3.96Å; N827-D830 WeakPolarHBondContact CB-OD2 3.32Å; N827-D830 PolarHBondContact ND2-OD2 2.91Å; N827-D830 WeakPolarHBondContact O-CB 3.41Å; N827-D830 PolarHBondContact O-N 2.82Å; N827-D830 VanDerWaalsContact O-N 3.16Å
828K84.5Confident84.7Confident108 Ų10856.8 Ų56.847%0.4734%0.343SS..THydrogen-bonded Turntrans-65.2-23.2-178.8-70.8-173.3-177.5-178.80114.3N885 I886K828-N885 PolarHBondContact O-N 2.92Å; K828-I886 HydrophobicContact CB-CB 4.16Å; K828-I886 HydrophobicContact CB-CD1 4.44Å; K828-I886 HydrophobicContact CD-CD1 4.11Å; K828-I886 PolarHBondContact O-N 2.89Å; K828-I886 VanDerWaalsContact O-N 3.12Å
829S84.4Confident84.3Confident89 Ų8957 Ų5762%0.62235%0.345SS*.THydrogen-bonded Turntrans-84.9-11.617848.50000114N827 T884N827-S829 PolarHBondContact O-N 2.98Å; S829-T884 WeakPolarHBondContact O-CG2 3.41Å
830D86.8Confident84Confident68 Ų6857 Ų5736%0.36435%0.346SS..SBendtrans-76.1155.8-179.9-71.61.7000110.1N827 T884 N885N827-D830 HydrophobicContact CB-CB 3.96Å; N827-D830 WeakPolarHBondContact CB-OD2 3.32Å; N827-D830 PolarHBondContact ND2-OD2 2.91Å; N827-D830 WeakPolarHBondContact O-CB 3.41Å; N827-D830 PolarHBondContact O-N 2.82Å; N827-D830 VanDerWaalsContact O-N 3.16Å; D830-T884 WeakPolarHBondContact O-CA 3.33Å; D830-N885 PolarHBondContact O-N 2.96Å; D830-N885 PolarHBondContact O-ND2 3.35Å
831P85.1Confident83.6Confident99 Ų9958.1 Ų58.164%0.64335%0.35SS*.BIsolated β-bridgetrans-59.4157.4170.527.2-35.1000110.9N885P831-N885 PolarHBondContact O-ND2 3.39Å; P831-N885 VanDerWaalsContact O-ND2 3.17Å
832I85.8Confident83.2Confident22 Ų2257.2 Ų57.211%0.11335%0.347CS..PPolyproline II helixtrans-59.6139.8175.3-52.7-177.5000109.7L822 V836 L840 C880 N885 A888L822-I832 HydrophobicContact CD2-CD1 4.09Å; L822-I832 HydrophobicContact CD2-CG1 4.03Å; L822-I832 HydrophobicContact CD2-CG2 3.96Å; I832-V836 HydrophobicContact CG2-CB 3.45Å; I832-V836 VanDerWaalsContact CG2-CB 3.45Å; I832-V836 HydrophobicContact CG2-CG1 3.34Å; I832-L840 HydrophobicContact CD1-CD1 4.07Å; I832-C880 HydrophobicContact CD1-CB 4.22Å; I832-C880 WeakPolarHBondContact CD1-O 3.49Å; I832-N885 WeakPolarHBondContact CA-OD1 3.34Å; I832-A888 HydrophobicContact CD1-CB 3.39Å; I832-A888 HydrophobicContact CG1-CB 4Å
833S84.5Confident83.1Confident58 Ų5857.4 Ų57.441%0.40635%0.347SS..PPolyproline II helixtrans-65.8155.3174.467.10000112.1D835 V836 S837S833-D835 VanDerWaalsContact C-N 3.28Å; S833-D835 PolarHBondContact O-N 3.24Å; S833-V836 PolarHBondContact O-N 3.12Å; S833-V836 WeakPolarHBondContact OG-CG2 3.34Å; S833-S837 PolarHBondContact O-N 3.38Å
834S80Confident83Confident85 Ų8555.5 Ų55.559%0.59434%0.338SS*.Hα-helixtrans-52.2-45.7176.448.50000112.2V836 S837 V838S834-V836 VanDerWaalsContact C-N 3.33Å; S834-V836 PolarHBondContact O-N 3.47Å; S834-S837 WeakPolarHBondContact O-CB 2.92Å; S834-S837 PolarHBondContact O-N 3.09Å; S834-V838 WeakPolarHBondContact O-CG2 3.33Å; S834-V838 PolarHBondContact O-N 3.34Å
835D77.9Confident82.6Confident87 Ų8757 Ų5747%0.46533%0.332SS..Hα-helixtrans-62.4-39.8-178.6-61.3-20.9000112.9S833 A839S833-D835 VanDerWaalsContact C-N 3.28Å; S833-D835 PolarHBondContact O-N 3.24Å; D835-A839 VanDerWaalsContact O-CB 3.32Å; D835-A839 WeakPolarHBondContact O-CB 3.47Å; D835-A839 PolarHBondContact O-N 3.22Å
836V85.2Confident82.4Confident6 Ų656.1 Ų56.14%0.03632%0.324CS..Hα-helixtrans-74.5-38.2178.9175.60000109.9T818 R821 L822 I832 S833 S834 A839 L840T818-V836 HydrophobicContact CG2-CG1 3.86Å; R821-V836 HydrophobicContact CB-CG2 3.99Å; L822-V836 HydrophobicContact CD1-CG1 4.48Å; L822-V836 HydrophobicContact CD2-CG1 3.62Å; L822-V836 HydrophobicContact CG-CG1 3.86Å; I832-V836 HydrophobicContact CG2-CB 3.45Å; I832-V836 VanDerWaalsContact CG2-CB 3.45Å; I832-V836 HydrophobicContact CG2-CG1 3.34Å; S833-V836 PolarHBondContact O-N 3.12Å; S833-V836 WeakPolarHBondContact OG-CG2 3.34Å; S834-V836 VanDerWaalsContact C-N 3.33Å; S834-V836 PolarHBondContact O-N 3.47Å; V836-A839 PolarHBondContact O-N 3.49Å; V836-L840 HydrophobicContact CG1-CD1 4.28Å; V836-L840 HydrophobicContact CG1-CG 4.45Å; V836-L840 WeakPolarHBondContact O-CG 3.46Å; V836-L840 PolarHBondContact O-N 2.84Å
837S82.2Confident82.3Confident28 Ų2851.2 Ų51.220%0.19628%0.284CS..Hα-helixtrans-57.1-50.4171.8-170.50000111.3S833 S834 A839 L840 D841S833-S837 PolarHBondContact O-N 3.38Å; S834-S837 WeakPolarHBondContact O-CB 2.92Å; S834-S837 PolarHBondContact O-N 3.09Å; S837-A839 VanDerWaalsContact C-N 3.31Å; S837-A839 PolarHBondContact O-N 2.68Å; S837-L840 PolarHBondContact O-N 3.07Å; S837-D841 VanDerWaalsContact O-CG 3.27Å; S837-D841 PolarHBondContact O-N 2.77Å
838V79.3Confident81.7Confident63 Ų6347.7 Ų47.738%0.38227%0.267SS..Hα-helixtrans-63-38.4178.3172.30000111.4S834 D841 R842S834-V838 WeakPolarHBondContact O-CG2 3.33Å; S834-V838 PolarHBondContact O-N 3.34Å; V838-D841 PolarHBondContact O-N 3.39Å; V838-R842 VanDerWaalsContact O-CG 3.3Å; V838-R842 WeakPolarHBondContact O-CG 3.33Å; V838-R842 PolarHBondContact O-N 2.91Å
839A81.5Confident80.7Confident7 Ų743.7 Ų43.76%0.05825%0.25CC..Hα-helixtrans-64.9-42.8176.400000112.2T818 D835 V836 S837 W843T818-A839 HydrophobicContact CG2-CB 4.19Å; D835-A839 VanDerWaalsContact O-CB 3.32Å; D835-A839 WeakPolarHBondContact O-CB 3.47Å; D835-A839 PolarHBondContact O-N 3.22Å; V836-A839 PolarHBondContact O-N 3.49Å; S837-A839 VanDerWaalsContact C-N 3.31Å; S837-A839 PolarHBondContact O-N 2.68Å; A839-W843 VanDerWaalsContact O-CB 3.31Å; A839-W843 WeakPolarHBondContact O-CB 3.46Å; A839-W843 PolarHBondContact O-N 2.9Å
840L84.1Confident79.2Confident2 Ų242.3 Ų42.31%0.0124%0.238CC..Hα-helixtrans-63.5-47.4174.8-71.3174.8000110.7T818 I832 V836 S837 R842 W843 F844 V877 C880 M892T818-L840 HydrophobicContact CG2-CD2 3.73Å; T818-L840 HydrophobicContact CG2-CG 3.92Å; I832-L840 HydrophobicContact CD1-CD1 4.07Å; V836-L840 HydrophobicContact CG1-CD1 4.28Å; V836-L840 HydrophobicContact CG1-CG 4.45Å; V836-L840 WeakPolarHBondContact O-CG 3.46Å; V836-L840 PolarHBondContact O-N 2.84Å; S837-L840 PolarHBondContact O-N 3.07Å; L840-R842 VanDerWaalsContact C-N 3.33Å; L840-R842 PolarHBondContact O-N 3.05Å; L840-W843 PolarHBondContact O-N 3.45Å; L840-W843 VanDerWaalsContact O-N 3.16Å; L840-F844 HydrophobicContact CB-CD2 4.44Å; L840-F844 HydrophobicContact CD2-CE2 4.26Å; L840-F844 WeakPolarHBondContact O-CB 3.4Å; L840-F844 WeakPolarHBondContact O-CD2 3.29Å; L840-F844 PolarHBondContact O-N 3.4Å; L840-V877 HydrophobicContact CB-CG2 4.32Å; L840-C880 HydrophobicContact CD1-CB 4.04Å; L840-M892 HydrophobicContact CD2-CG 4.17Å; L840-M892 HydrophobicContact CD2-SD 3.55Å; L840-M892 VanDerWaalsContact CD2-SD 3.55Å
841D80.8Confident77.6Confident55 Ų5540.1 Ų40.129%0.29423%0.226SC..Hα-helixtrans-55.6-47.4178.2-71.5-7.5000112.1S837 V838 Y845 V877 Q881S837-D841 VanDerWaalsContact O-CG 3.27Å; S837-D841 PolarHBondContact O-N 2.77Å; V838-D841 PolarHBondContact O-N 3.39Å; D841-Y845 WeakPolarHBondContact O-CB 3.44Å; D841-Y845 PolarHBondContact O-N 2.98Å; D841-V877 WeakPolarHBondContact OD1-CG2 3.45Å; D841-Q881 PolarHBondContact OD1-NE2 3.22Å; D841-Q881 PolarHBondContact OD2-NE2 3.11Å; D841-Q881 VanDerWaalsContact OD2-NE2 3.09Å
842R80Confident75.6Confident75 Ų7541.2 Ų41.228%0.28323%0.231SC..Hα-helixtrans-64.1-42.9178.1-71.7177-172.5-179.65.9112.1Y791 V838 L840 Y845 L846Y791-R842 HydrophobicContact CE1-CB 4.21Å; V838-R842 VanDerWaalsContact O-CG 3.3Å; V838-R842 WeakPolarHBondContact O-CG 3.33Å; V838-R842 PolarHBondContact O-N 2.91Å; L840-R842 VanDerWaalsContact C-N 3.33Å; L840-R842 PolarHBondContact O-N 3.05Å; R842-Y845 PolarHBondContact O-N 3.49Å; R842-L846 PolarHBondContact O-N 3.32Å
843W86Confident73.4Confident6 Ų645.2 Ų45.22%0.02325%0.252CS..Hα-helixtrans-67.4-46.6-178.3-172.791.5000111.6L811 L815 A839 L840 L846 A847 L869 V895 L899L811-W843 PolarHBondContact O-NE1 3.19Å; L815-W843 HydrophobicContact CB-CZ2 4.09Å; L815-W843 HydrophobicContact CD1-CD2 4.13Å; L815-W843 HydrophobicContact CD1-CE3 4.26Å; L815-W843 HydrophobicContact CD1-CH2 4.38Å; L815-W843 HydrophobicContact CD1-CZ2 4.27Å; L815-W843 HydrophobicContact CD1-CZ3 4.37Å; L815-W843 HydrophobicContact CD2-CH2 3.88Å; L815-W843 HydrophobicContact CD2-CZ2 3.65Å; L815-W843 HydrophobicContact CG-CZ2 4.21Å; A839-W843 VanDerWaalsContact O-CB 3.31Å; A839-W843 WeakPolarHBondContact O-CB 3.46Å; A839-W843 PolarHBondContact O-N 2.9Å; L840-W843 PolarHBondContact O-N 3.45Å; L840-W843 VanDerWaalsContact O-N 3.16Å; W843-L846 PolarHBondContact O-N 3.18Å; W843-A847 HydrophobicContact CE3-CB 4.46Å; W843-A847 HydrophobicContact CH2-CB 4.29Å; W843-A847 HydrophobicContact CZ3-CB 4.26Å; W843-A847 WeakPolarHBondContact O-CB 3.46Å; W843-A847 PolarHBondContact O-N 3.4Å; W843-L869 HydrophobicContact CH2-CD1 3.78Å; W843-L869 HydrophobicContact CZ3-CD1 3.55Å; W843-V895 HydrophobicContact CH2-CG1 3.96Å; W843-V895 HydrophobicContact CZ3-CG1 4.13Å; W843-L899 HydrophobicContact CH2-CD1 3.76Å; W843-L899 HydrophobicContact CZ2-CD1 3.86Å
844F83Confident71.1Confident4 Ų448.7 Ų48.72%0.01826%0.26CS..Hα-helixtrans-65.6-38.2175.3-85.6-81.6000111.7L840 L846 A847 A848 L869 L873 V876 V877 M892 V895L840-F844 HydrophobicContact CB-CD2 4.44Å; L840-F844 HydrophobicContact CD2-CE2 4.26Å; L840-F844 WeakPolarHBondContact O-CB 3.4Å; L840-F844 WeakPolarHBondContact O-CD2 3.29Å; L840-F844 PolarHBondContact O-N 3.4Å; F844-L846 VanDerWaalsContact C-N 3.33Å; F844-L846 PolarHBondContact O-N 3.24Å; F844-A847 PolarHBondContact O-N 3.1Å; F844-A848 WeakPolarHBondContact O-CA 3.48Å; F844-A848 WeakPolarHBondContact O-CB 3.1Å; F844-A848 PolarHBondContact O-N 3.47Å; F844-L869 HydrophobicContact CD1-CD1 4.02Å; F844-L869 HydrophobicContact CE1-CD1 4.02Å; F844-L873 WeakPolarHBondContact CE1-O 3.49Å; F844-V876 HydrophobicContact CE1-CB 3.91Å; F844-V876 HydrophobicContact CE1-CG1 4.21Å; F844-V876 HydrophobicContact CE2-CG1 4.48Å; F844-V876 HydrophobicContact CZ-CB 3.93Å; F844-V876 HydrophobicContact CZ-CG1 3.7Å; F844-V877 HydrophobicContact CB-CB 3.92Å; F844-V877 HydrophobicContact CB-CG1 4.27Å; F844-V877 HydrophobicContact CB-CG2 4.17Å; F844-V877 HydrophobicContact CD1-CB 4.32Å; F844-V877 HydrophobicContact CD2-CB 3.68Å; F844-V877 HydrophobicContact CD2-CG2 3.81Å; F844-V877 HydrophobicContact CE2-CB 4.28Å; F844-V877 HydrophobicContact CG-CB 3.71Å; F844-V877 HydrophobicContact CG-CG1 4.45Å; F844-V877 HydrophobicContact CG-CG2 4.17Å; F844-M892 HydrophobicContact CE2-CE 3.75Å; F844-M892 HydrophobicContact CE2-SD 3.72Å; F844-M892 HydrophobicContact CZ-CE 3.58Å; F844-M892 HydrophobicContact CZ-SD 3.98Å; F844-V895 HydrophobicContact CZ-CG2 4.36Å
845Y78.3Confident69.2Low117 Ų11748.7 Ų48.746%0.45926%0.26SS..Hα-helixtrans-60.1-43.6175.4-177.2-104.3000111.9L795 D841 R842 K849L795-Y845 HydrophobicContact CD1-CE1 4.16Å; L795-Y845 HydrophobicContact CD2-CD1 3.75Å; L795-Y845 HydrophobicContact CD2-CE1 3.46Å; L795-Y845 VanDerWaalsContact CD2-CE1 3.46Å; L795-Y845 HydrophobicContact CG-CE1 4.48Å; D841-Y845 WeakPolarHBondContact O-CB 3.44Å; D841-Y845 PolarHBondContact O-N 2.98Å; R842-Y845 PolarHBondContact O-N 3.49Å; Y845-K849 WeakPolarHBondContact O-CB 3.12Å; Y845-K849 PolarHBondContact O-N 3.11Å; Y845-K849 VanDerWaalsContact O-N 3.13Å
846L78.4Confident67.4Low4 Ų449.9 Ų49.92%0.02127%0.271CS..Hα-helixtrans-62.8-51.4173.8-85166.7000112Y791 M794 L795 L804 L811 R842 W843 F844 A848 K849Y791-L846 HydrophobicContact CD1-CD1 3.73Å; Y791-L846 HydrophobicContact CE1-CD1 4.17Å; M794-L846 HydrophobicContact CB-CD1 4.43Å; M794-L846 HydrophobicContact CB-CD2 3.76Å; M794-L846 HydrophobicContact CE-CD1 4.02Å; M794-L846 HydrophobicContact SD-CD1 4.46Å; L795-L846 HydrophobicContact CD2-CD2 3.64Å; L795-L846 HydrophobicContact CD2-CG 4.28Å; L795-L846 HydrophobicContact CG-CD2 3.78Å; L804-L846 HydrophobicContact CD1-CD2 4.26Å; L804-L846 VanDerWaalsContact CD2-O 3.28Å; L804-L846 WeakPolarHBondContact CD2-O 3.38Å; L811-L846 HydrophobicContact CD2-CB 4.22Å; L811-L846 HydrophobicContact CD2-CD1 4.11Å; R842-L846 PolarHBondContact O-N 3.32Å; W843-L846 PolarHBondContact O-N 3.18Å; F844-L846 VanDerWaalsContact C-N 3.33Å; F844-L846 PolarHBondContact O-N 3.24Å; L846-A848 VanDerWaalsContact C-N 3.35Å; L846-A848 PolarHBondContact O-N 2.78Å; L846-K849 PolarHBondContact O-N 3.35Å
847A78.1Confident65.1Low1 Ų159.4 Ų59.41%0.00831%0.307CS..Hα-helixtrans-73.4-25.4-172.700000113.8W843 F844 I868 L869W843-A847 HydrophobicContact CE3-CB 4.46Å; W843-A847 HydrophobicContact CH2-CB 4.29Å; W843-A847 HydrophobicContact CZ3-CB 4.26Å; W843-A847 WeakPolarHBondContact O-CB 3.46Å; W843-A847 PolarHBondContact O-N 3.4Å; F844-A847 PolarHBondContact O-N 3.1Å; A847-I868 HydrophobicContact CB-CB 4.28Å; A847-I868 HydrophobicContact CB-CG2 4.44Å; A847-I868 PolarHBondContact O-N 3.31Å; A847-L869 HydrophobicContact CB-CD1 3.47Å; A847-L869 VanDerWaalsContact CB-CD1 3.47Å; A847-L869 HydrophobicContact CB-CG 4.21Å; A847-L869 PolarHBondContact O-N 2.95Å
848A69.3Low62.9Low18 Ų1863.4 Ų63.415%0.14933%0.327CS..Hα-helixtrans-97.6-4.9178.400000113.9F844 L846 V850 R867F844-A848 WeakPolarHBondContact O-CA 3.48Å; F844-A848 WeakPolarHBondContact O-CB 3.1Å; F844-A848 PolarHBondContact O-N 3.47Å; L846-A848 VanDerWaalsContact C-N 3.35Å; L846-A848 PolarHBondContact O-N 2.78Å; A848-V850 PolarHBondContact O-N 2.99Å; A848-R867 WeakPolarHBondContact O-CD 3.11Å
849K63.7Low60.8Low24 Ų2467.9 Ų67.910%0.10435%0.347CS..PPolyproline II helixtrans-56.4125.7-178.1-169.1173.9172.1-174.50110L795 A798 E799 Y845 L846L795-K849 HydrophobicContact CD2-CD 3.81Å; L795-K849 PolarHBondContact O-NZ 3.19Å; A798-K849 HydrophobicContact CB-CD 3.9Å; E799-K849 VanDerWaalsContact OE1-CE 3.22Å; E799-K849 WeakPolarHBondContact OE1-CE 3.47Å; E799-K849 IonicContact OE1-NZ 2.75Å; E799-K849 PolarHBondContact OE1-NZ 3.08Å; E799-K849 IonicContact OE2-NZ 3.37Å; Y845-K849 WeakPolarHBondContact O-CB 3.12Å; Y845-K849 PolarHBondContact O-N 3.11Å; Y845-K849 VanDerWaalsContact O-N 3.13Å; L846-K849 PolarHBondContact O-N 3.35Å
850V54Low58.5Low60 Ų6071.5 Ų71.536%0.36437%0.372SS..PPolyproline II helixtrans-82.4126.5175.5175.80000108.8A848 V852A848-V850 PolarHBondContact O-N 2.99Å; V850-V852 PolarHBondContact O-N 3.41Å
851V51.3Low56.1Low21 Ų2178.9 Ų78.913%0.12741%0.408CS..PPolyproline II helixtrans-74.5116.5161.6177.60000108.3A798 L853A798-V851 WeakPolarHBondContact O-CG2 3.33Å; V851-L853 HydrophobicContact CG1-CD1 3.4Å; V851-L853 PolarHBondContact O-N 3.31Å; V851-L853 VanDerWaalsContact O-N 3.11Å
852V44.8Very low53.9Low123 Ų12381.3 Ų81.375%0.74542%0.421SS*.  trans-8278.2169-174.40000107V850V850-V852 PolarHBondContact O-N 3.41Å
853L38Very low52Low105 Ų10582.3 Ų82.355%0.5543%0.432SS..  trans-74.3150.1150.8-102.887.8000106.7V851V851-L853 HydrophobicContact CG1-CD1 3.4Å; V851-L853 PolarHBondContact O-N 3.31Å; V851-L853 VanDerWaalsContact O-N 3.11Å
854F38Very low50.1Low131 Ų13188.2 Ų88.258%0.57546%0.458SS*.  trans101.2113.1172.8-57.8-77000117.5D858F854-D858 HydrophobicContact CD1-CB 4.41Å
855S38.7Very low48.6Very low86 Ų8691.4 Ų91.460%0.60147%0.473SS*.  trans-64.8164.5158.857.20000110.7Y857S855-Y857 PolarHBondContact O-N 3.1Å
856V40.8Very low47.4Very low112 Ų11286.7 Ų86.768%0.67946%0.46SS*.THydrogen-bonded Turntrans-54.5-4.2-166.4171.80000116.6
857Y37.1Very low46.8Very low205 Ų20588 Ų8880%0.80446%0.464SS*.THydrogen-bonded Turntrans-109.6-6.8-167.7-85.5-80.6000118S855S855-Y857 PolarHBondContact O-N 3.1Å
858D36Very low46.6Very low113 Ų11388.2 Ų88.260%0.60447%0.465SS*.  trans-122.480.5172-81.3-44.1000111.3F854 S860F854-D858 HydrophobicContact CD1-CB 4.41Å; D858-S860 PolarHBondContact O-N 3.43Å; D858-S860 VanDerWaalsContact O-N 3.15Å
859I34.2Very low46.9Very low157 Ų15787.4 Ų87.481%0.80546%0.458SS*.  trans-78.422.4168-64162.5000110.3M861I859-M861 PolarHBondContact O-N 3.41Å
860S34.5Very low47.4Very low83 Ų8387.3 Ų87.358%0.5846%0.461SS*.SBendtrans-94.185.6-174.31680000111D858 N862D858-S860 PolarHBondContact O-N 3.43Å; D858-S860 VanDerWaalsContact O-N 3.15Å; S860-N862 PolarHBondContact O-N 3Å
861M32.4Very low48.2Very low157 Ų15787.9 Ų87.977%0.77346%0.459SS*.SBendtrans56.3-0.2143.2-74-74.7173.900121.1I859 D863I859-M861 PolarHBondContact O-N 3.41Å; M861-D863 PolarHBondContact O-N 2.91Å; M861-D863 VanDerWaalsContact O-N 3.14Å
862N35.7Very low49.2Very low105 Ų10590.6 Ų90.656%0.56147%0.471SS*.  trans-86.536.6166.8-71.3-18000111.3S860S860-N862 PolarHBondContact O-N 3Å
863D38.9Very low50.7Low96 Ų9684.9 Ų84.951%0.51344%0.436SS..THydrogen-bonded Turntrans-56.3138.2178.7-64.3-47.5000109.8M861M861-D863 PolarHBondContact O-N 2.91Å; M861-D863 VanDerWaalsContact O-N 3.14Å
864F46.4Very low52.2Low131 Ų13180.4 Ų80.458%0.57541%0.413SS*.THydrogen-bonded Turntrans839.5160.7-46.7-70.5000120.6G866F864-G866 PolarHBondContact O-N 3.14Å
865Q50.8Low53.8Low71 Ų7176.5 Ų76.533%0.33240%0.398SS..THydrogen-bonded Turntrans-69.4-6-172-66.9-177.5-9.100117Y801 P925Y801-Q865 PolarHBondContact OH-O 3.04Å; Q865-P925 HydrophobicContact CB-CB 4.23Å; Q865-P925 HydrophobicContact CG-CB 4.34Å; Q865-P925 HydrophobicContact CG-CG 4.44Å
866G54.1Low55.7Low18 Ų1872.4 Ų72.419%0.18637%0.37CS..THydrogen-bonded Turntrans-97.63.3-168.600000118.1Y801 F864Y801-G866 VanDerWaalsContact CD2-CA 3.47Å; Y801-G866 VanDerWaalsContact CD2-O 3.29Å; Y801-G866 WeakPolarHBondContact CD2-O 3.15Å; F864-G866 PolarHBondContact O-N 3.14Å
867R65.5Low57.6Low31 Ų3168 Ų6812%0.11734%0.343CS..  trans-98.3150.8-169.4-56.9-173.7-169.3-169.85.7113.3A848 L869 Q871A848-R867 WeakPolarHBondContact O-CD 3.11Å; R867-L869 VanDerWaalsContact CB-O 3.22Å; R867-L869 WeakPolarHBondContact CB-O 3.14Å; R867-L869 WeakPolarHBondContact CD-O 3.45Å; R867-Q871 VanDerWaalsContact NH1-CD 3.26Å
868I75.1Confident59.6Low5 Ų561.2 Ų61.23%0.02632%0.321CS..SBendtrans-75.2-36.1167.6-65.4179.1000110.6L804 W805 L811 A847 L899L804-I868 HydrophobicContact CD2-CD1 3.6Å; L804-I868 HydrophobicContact CD2-CG1 4.43Å; L804-I868 HydrophobicContact CG-CD1 3.81Å; W805-I868 HydrophobicContact CD2-CD1 4.37Å; W805-I868 HydrophobicContact CD2-CG1 3.9Å; W805-I868 HydrophobicContact CE3-CD1 4.45Å; W805-I868 HydrophobicContact CE3-CG1 4.18Å; W805-I868 HydrophobicContact CG-CG1 4.49Å; W805-I868 HydrophobicContact CH2-CB 4.09Å; W805-I868 HydrophobicContact CH2-CG1 4.12Å; W805-I868 HydrophobicContact CH2-CG2 3.74Å; W805-I868 HydrophobicContact CZ2-CB 4.06Å; W805-I868 HydrophobicContact CZ2-CG1 3.85Å; W805-I868 HydrophobicContact CZ2-CG2 4.24Å; W805-I868 HydrophobicContact CZ3-CB 4.48Å; W805-I868 HydrophobicContact CZ3-CG1 4.26Å; W805-I868 HydrophobicContact CZ3-CG2 3.89Å; L811-I868 HydrophobicContact CD1-CD1 3.48Å; L811-I868 VanDerWaalsContact CD1-CD1 3.48Å; A847-I868 HydrophobicContact CB-CB 4.28Å; A847-I868 HydrophobicContact CB-CG2 4.44Å; A847-I868 PolarHBondContact O-N 3.31Å; I868-L899 HydrophobicContact CG2-CD2 3.88Å
869L75.1Confident61.8Low1 Ų155.9 Ų55.91%0.00529%0.292CS..SBendtrans-111.1134.4177.9-76.5157000111.3W843 F844 A847 R867 L873 V895 Y898W843-L869 HydrophobicContact CH2-CD1 3.78Å; W843-L869 HydrophobicContact CZ3-CD1 3.55Å; F844-L869 HydrophobicContact CD1-CD1 4.02Å; F844-L869 HydrophobicContact CE1-CD1 4.02Å; A847-L869 HydrophobicContact CB-CD1 3.47Å; A847-L869 VanDerWaalsContact CB-CD1 3.47Å; A847-L869 HydrophobicContact CB-CG 4.21Å; A847-L869 PolarHBondContact O-N 2.95Å; R867-L869 VanDerWaalsContact CB-O 3.22Å; R867-L869 WeakPolarHBondContact CB-O 3.14Å; R867-L869 WeakPolarHBondContact CD-O 3.45Å; L869-L873 HydrophobicContact CB-CB 4.43Å; L869-L873 HydrophobicContact CD2-CB 3.86Å; L869-L873 HydrophobicContact CD2-CD1 3.97Å; L869-V895 HydrophobicContact CD2-CG1 4.02Å; L869-Y898 HydrophobicContact CD2-CD1 4.28Å
870P73.7Confident64.2Low23 Ų2348.4 Ų48.415%0.14925%0.254CS..  trans-51.2147.8164.7-26.333.2000112.1Q872 L873 S874 Y898 P931P870-Q872 PolarHBondContact O-N 3.35Å; P870-Q872 VanDerWaalsContact O-N 3.14Å; P870-L873 HydrophobicContact CG-CD1 4.39Å; P870-L873 CarbonylContact O-C 3.6Å; P870-L873 WeakPolarHBondContact O-CA 3.15Å; P870-L873 PolarHBondContact O-N 3.42Å; P870-S874 PolarHBondContact O-N 3.4Å; P870-Y898 WeakPolarHBondContact CD-OH 3.34Å; P870-Y898 HydrophobicContact CG-CE1 4.15Å; P870-Y898 HydrophobicContact CG-CE2 4.16Å; P870-Y898 WeakPolarHBondContact CG-OH 3.34Å; P870-P931 HydrophobicContact CB-CB 4.2Å; P870-P931 HydrophobicContact CB-CG 4.18Å; P870-P931 HydrophobicContact CG-CB 4.27Å
871Q69.9Low66.5Low71 Ų7148.3 Ų48.333%0.33224%0.244SC..Hα-helixtrans-56.8-30.7-179.1174.36371.900113.2R867 L873 S874 N875R867-Q871 VanDerWaalsContact NH1-CD 3.26Å; Q871-L873 VanDerWaalsContact C-N 3.32Å; Q871-S874 WeakPolarHBondContact CA-OG 3.49Å; Q871-S874 PolarHBondContact NE2-OG 3.05Å; Q871-S874 PolarHBondContact O-N 3.38Å; Q871-S874 PolarHBondContact O-OG 2.94Å; Q871-N875 PolarHBondContact NE2-OD1 2.87Å; Q871-N875 VanDerWaalsContact NE2-OD1 3.15Å
872Q73.8Confident68.9Low79 Ų7946.7 Ų46.737%0.36923%0.229SC..Hα-helixtrans-66.1-37.8175.9-58.486-18.900111P870 P931 L935 L956P870-Q872 PolarHBondContact O-N 3.35Å; P870-Q872 VanDerWaalsContact O-N 3.14Å; Q872-P931 HydrophobicContact CB-CG 4.08Å; Q872-P931 HydrophobicContact CG-CG 4.11Å; Q872-L935 HydrophobicContact CB-CD1 4.06Å; Q872-L956 WeakPolarHBondContact O-CD2 3.46Å
873L74.8Confident71.4Confident2 Ų242 Ų421%0.0120%0.204CC..Hα-helixtrans-81.4-23.5177.4-70.8174.8000112.8F844 L869 P870 Q871 N875 V876 V895 Y898 P931 L935F844-L873 WeakPolarHBondContact CE1-O 3.49Å; L869-L873 HydrophobicContact CB-CB 4.43Å; L869-L873 HydrophobicContact CD2-CB 3.86Å; L869-L873 HydrophobicContact CD2-CD1 3.97Å; P870-L873 HydrophobicContact CG-CD1 4.39Å; P870-L873 CarbonylContact O-C 3.6Å; P870-L873 WeakPolarHBondContact O-CA 3.15Å; P870-L873 PolarHBondContact O-N 3.42Å; Q871-L873 VanDerWaalsContact C-N 3.32Å; L873-N875 PolarHBondContact O-N 3.2Å; L873-V876 HydrophobicContact CD2-CG2 4.06Å; L873-V876 WeakPolarHBondContact O-CB 3.38Å; L873-V876 WeakPolarHBondContact O-CG2 3.49Å; L873-V876 PolarHBondContact O-N 3.08Å; L873-V895 HydrophobicContact CD2-CG2 4.41Å; L873-Y898 HydrophobicContact CD1-CD1 3.8Å; L873-Y898 HydrophobicContact CD1-CD2 3.96Å; L873-Y898 HydrophobicContact CD1-CE1 4.18Å; L873-Y898 HydrophobicContact CD1-CE2 4.31Å; L873-Y898 HydrophobicContact CD1-CG 3.7Å; L873-P931 HydrophobicContact CD1-CB 4.2Å; L873-P931 HydrophobicContact CG-CB 4.17Å; L873-L935 HydrophobicContact CD2-CD2 3.52Å; L873-L935 HydrophobicContact CD2-CG 4.48Å; L873-L935 HydrophobicContact CG-CD2 4.27Å
874S71.1Confident73.7Confident11 Ų1138.9 Ų38.98%0.07719%0.189CC..Hα-helixtrans-64.8-30.2177.761.90000113.4P870 Q871 V876P870-S874 PolarHBondContact O-N 3.4Å; Q871-S874 WeakPolarHBondContact CA-OG 3.49Å; Q871-S874 PolarHBondContact NE2-OG 3.05Å; Q871-S874 PolarHBondContact O-N 3.38Å; Q871-S874 PolarHBondContact O-OG 2.94Å; S874-V876 PolarHBondContact O-N 3.17Å
875N71.8Confident75.7Confident49 Ų4933.2 Ų33.226%0.26216%0.164SC..THydrogen-bonded Turntrans-79.6-1-179.8-65.8-8.7000112.8Q871 L873 V877 D878 L956Q871-N875 PolarHBondContact NE2-OD1 2.87Å; Q871-N875 VanDerWaalsContact NE2-OD1 3.15Å; L873-N875 PolarHBondContact O-N 3.2Å; N875-V877 PolarHBondContact O-N 2.89Å; N875-D878 PolarHBondContact O-N 3.34Å; N875-L956 HydrophobicContact CB-CD2 3.37Å; N875-L956 HydrophobicContact CB-CG 4.26Å
876V78.5Confident77.5Confident1 Ų133 Ų331%0.00617%0.165CC..Hα-helixtrans-60.7-33176.7165.70000111.7F844 L873 S874 D878 V879 C880 I891 M892 V895 L938F844-V876 HydrophobicContact CE1-CB 3.91Å; F844-V876 HydrophobicContact CE1-CG1 4.21Å; F844-V876 HydrophobicContact CE2-CG1 4.48Å; F844-V876 HydrophobicContact CZ-CB 3.93Å; F844-V876 HydrophobicContact CZ-CG1 3.7Å; L873-V876 HydrophobicContact CD2-CG2 4.06Å; L873-V876 WeakPolarHBondContact O-CB 3.38Å; L873-V876 WeakPolarHBondContact O-CG2 3.49Å; L873-V876 PolarHBondContact O-N 3.08Å; S874-V876 PolarHBondContact O-N 3.17Å; V876-D878 VanDerWaalsContact C-N 3.33Å; V876-D878 PolarHBondContact O-N 3.49Å; V876-V879 WeakPolarHBondContact O-CB 3.33Å; V876-V879 PolarHBondContact O-N 2.97Å; V876-V879 VanDerWaalsContact O-N 3.12Å; V876-C880 PolarHBondContact O-N 3.06Å; V876-C880 PolarHBondContact O-SG 2.96Å; V876-I891 HydrophobicContact CG1-CG2 3.31Å; V876-I891 HydrophobicContact CG2-CG2 4.46Å; V876-M892 HydrophobicContact CG1-CE 3.36Å; V876-V895 HydrophobicContact CG1-CG2 4.37Å; V876-L938 HydrophobicContact CG2-CD1 4.29Å; V876-L938 HydrophobicContact CG2-CD2 3.96Å
877V80.6Confident79.2Confident18 Ų1832.6 Ų32.611%0.10916%0.158CC..Hα-helixtrans-60-41.8-177.371.10000112.6L840 D841 F844 N875 V879 C880 Q881L840-V877 HydrophobicContact CB-CG2 4.32Å; D841-V877 WeakPolarHBondContact OD1-CG2 3.45Å; F844-V877 HydrophobicContact CB-CB 3.92Å; F844-V877 HydrophobicContact CB-CG1 4.27Å; F844-V877 HydrophobicContact CB-CG2 4.17Å; F844-V877 HydrophobicContact CD1-CB 4.32Å; F844-V877 HydrophobicContact CD2-CB 3.68Å; F844-V877 HydrophobicContact CD2-CG2 3.81Å; F844-V877 HydrophobicContact CE2-CB 4.28Å; F844-V877 HydrophobicContact CG-CB 3.71Å; F844-V877 HydrophobicContact CG-CG1 4.45Å; F844-V877 HydrophobicContact CG-CG2 4.17Å; N875-V877 PolarHBondContact O-N 2.89Å; V877-V879 PolarHBondContact O-N 3.05Å; V877-C880 WeakPolarHBondContact O-CB 3.44Å; V877-C880 PolarHBondContact O-N 3.31Å; V877-C880 VanDerWaalsContact O-N 3.09Å; V877-Q881 WeakPolarHBondContact O-CG 3.36Å; V877-Q881 PolarHBondContact O-N 3.24Å
878D79.1Confident80.3Confident64 Ų6431.1 Ų31.134%0.34215%0.153SC..Hα-helixtrans-62.2-31.2178.8-68.6-22.8000112.3N875 V876 L952N875-D878 PolarHBondContact O-N 3.34Å; V876-D878 VanDerWaalsContact C-N 3.33Å; V876-D878 PolarHBondContact O-N 3.49Å; D878-L952 HydrophobicContact CB-CD1 4.19Å
879V82.7Confident81Confident0 Ų031.3 Ų31.30%015%0.154CC..Hα-helixtrans-75.5-47.3174.4174.30000110V876 V877 Q881 R882 V883 I891 L938 I942 L949 L952 L956V876-V879 WeakPolarHBondContact O-CB 3.33Å; V876-V879 PolarHBondContact O-N 2.97Å; V876-V879 VanDerWaalsContact O-N 3.12Å; V877-V879 PolarHBondContact O-N 3.05Å; V879-Q881 VanDerWaalsContact C-N 3.28Å; V879-Q881 PolarHBondContact O-N 3.48Å; V879-R882 PolarHBondContact O-N 3.44Å; V879-V883 HydrophobicContact CG1-CG1 4.1Å; V879-V883 WeakPolarHBondContact O-CG1 2.97Å; V879-V883 WeakPolarHBondContact O-CG2 3.43Å; V879-V883 PolarHBondContact O-N 3.3Å; V879-I891 HydrophobicContact CG1-CD1 3.97Å; V879-L938 HydrophobicContact CB-CD1 3.85Å; V879-L938 HydrophobicContact CG1-CD1 3.71Å; V879-L938 HydrophobicContact CG2-CD1 3.96Å; V879-I942 HydrophobicContact CG1-CG1 4.26Å; V879-I942 HydrophobicContact CG2-CD1 4.12Å; V879-I942 HydrophobicContact CG2-CG1 4.28Å; V879-L949 HydrophobicContact CG1-CD1 3.84Å; V879-L952 HydrophobicContact CG2-CD1 3.79Å; V879-L956 HydrophobicContact CG2-CD1 3.84Å
880C83.9Confident81.6Confident0 Ų035.5 Ų35.50%017%0.174CC..Hα-helixtrans-54.2-43178-73.90000112.3I832 L840 V876 V877 R882 V883 M892I832-C880 HydrophobicContact CD1-CB 4.22Å; I832-C880 WeakPolarHBondContact CD1-O 3.49Å; L840-C880 HydrophobicContact CD1-CB 4.04Å; V876-C880 PolarHBondContact O-N 3.06Å; V876-C880 PolarHBondContact O-SG 2.96Å; V877-C880 WeakPolarHBondContact O-CB 3.44Å; V877-C880 PolarHBondContact O-N 3.31Å; V877-C880 VanDerWaalsContact O-N 3.09Å; C880-R882 PolarHBondContact O-N 3.09Å; C880-V883 WeakPolarHBondContact O-CG2 3.34Å; C880-V883 PolarHBondContact O-N 3.41Å; C880-M892 WeakPolarHBondContact SG-CE 3.46Å
881Q81.9Confident82.3Confident81 Ų8134.5 Ų34.538%0.37917%0.167SC..THydrogen-bonded Turntrans-58.9-16.2179.1-70.5-179.5-0.100115D841 V877 V879D841-Q881 PolarHBondContact OD1-NE2 3.22Å; D841-Q881 PolarHBondContact OD2-NE2 3.11Å; D841-Q881 VanDerWaalsContact OD2-NE2 3.09Å; V877-Q881 WeakPolarHBondContact O-CG 3.36Å; V877-Q881 PolarHBondContact O-N 3.24Å; V879-Q881 VanDerWaalsContact C-N 3.28Å; V879-Q881 PolarHBondContact O-N 3.48Å
882R84.2Confident83.3Confident124 Ų12431.1 Ų31.147%0.46815%0.152SC..THydrogen-bonded Turntrans-118.85.1-171.2-63.9179.6-170.2-172.76.8114V879 C880 L949V879-R882 PolarHBondContact O-N 3.44Å; C880-R882 PolarHBondContact O-N 3.09Å; R882-L949 HydrophobicContact CB-CD2 3.72Å; R882-L949 HydrophobicContact CG-CD2 4.36Å
883V87.3Confident84Confident5 Ų531 Ų313%0.0315%0.148CC..SBendtrans-116.3173.2-176-62.40000111.4V879 C880 E887 A888 V941 L949V879-V883 HydrophobicContact CG1-CG1 4.1Å; V879-V883 WeakPolarHBondContact O-CG1 2.97Å; V879-V883 WeakPolarHBondContact O-CG2 3.43Å; V879-V883 PolarHBondContact O-N 3.3Å; C880-V883 WeakPolarHBondContact O-CG2 3.34Å; C880-V883 PolarHBondContact O-N 3.41Å; V883-E887 HydrophobicContact CB-CB 3.97Å; V883-E887 HydrophobicContact CG2-CB 4.16Å; V883-A888 HydrophobicContact CG2-CB 3.97Å; V883-V941 HydrophobicContact CB-CG1 4.26Å; V883-V941 HydrophobicContact CG1-CG1 3.52Å; V883-L949 HydrophobicContact CG1-CD1 3.73Å
884T88.2Confident84.7Confident32 Ų3231.3 Ų31.320%0.19615%0.149CC..BIsolated β-bridgetrans-75.2159.9177.260.90000111.9S829 D830 I886 E887 A888S829-T884 WeakPolarHBondContact O-CG2 3.41Å; D830-T884 WeakPolarHBondContact O-CA 3.33Å; T884-I886 PolarHBondContact O-N 2.85Å; T884-E887 PolarHBondContact N-OE2 2.84Å; T884-E887 VanDerWaalsContact N-OE2 3.15Å; T884-E887 PolarHBondContact O-N 2.9Å; T884-E887 VanDerWaalsContact OG1-CG 3.24Å; T884-E887 WeakPolarHBondContact OG1-CG 3.47Å; T884-E887 PolarHBondContact OG1-OE2 3.41Å; T884-A888 WeakPolarHBondContact O-CB 3.38Å; T884-A888 PolarHBondContact O-N 2.86Å
885N87.3Confident85.5Confident11 Ų1130.9 Ų30.96%0.05915%0.146CC..Hα-helixtrans-53-40.7177.8-75.6-63.4000113L822 A825 K828 D830 P831 I832 C889L822-N885 HydrophobicContact CD2-CB 4.48Å; L822-N885 WeakPolarHBondContact CD2-OD1 3.45Å; A825-N885 HydrophobicContact CB-CB 3.99Å; K828-N885 PolarHBondContact O-N 2.92Å; D830-N885 PolarHBondContact O-N 2.96Å; D830-N885 PolarHBondContact O-ND2 3.35Å; P831-N885 PolarHBondContact O-ND2 3.39Å; P831-N885 VanDerWaalsContact O-ND2 3.17Å; I832-N885 WeakPolarHBondContact CA-OD1 3.34Å; N885-C889 VanDerWaalsContact O-CB 3.3Å; N885-C889 WeakPolarHBondContact O-CB 3.47Å; N885-C889 PolarHBondContact O-N 3.5Å
886I88.5Confident86.3Confident67 Ų6728.6 Ų28.634%0.34413%0.134SC..Hα-helixtrans-69.7-41.6-179.9-158.3168.2000112.6K828 T884 C889 H890K828-I886 HydrophobicContact CB-CB 4.16Å; K828-I886 HydrophobicContact CB-CD1 4.44Å; K828-I886 HydrophobicContact CD-CD1 4.11Å; K828-I886 PolarHBondContact O-N 2.89Å; K828-I886 VanDerWaalsContact O-N 3.12Å; T884-I886 PolarHBondContact O-N 2.85Å; I886-C889 WeakPolarHBondContact O-CB 3.29Å; I886-C889 PolarHBondContact O-N 3.41Å; I886-H890 PolarHBondContact O-CD2 3.31Å; I886-H890 PolarHBondContact O-N 2.99Å
887E89.7Confident86.8Confident9 Ų933.4 Ų33.44%0.04215%0.152CC..Hα-helixtrans-65.9-43.4178.2-72167.4156.300110.4V883 T884 C889 H890 I891 V941 K944 N945V883-E887 HydrophobicContact CB-CB 3.97Å; V883-E887 HydrophobicContact CG2-CB 4.16Å; T884-E887 PolarHBondContact N-OE2 2.84Å; T884-E887 VanDerWaalsContact N-OE2 3.15Å; T884-E887 PolarHBondContact O-N 2.9Å; T884-E887 VanDerWaalsContact OG1-CG 3.24Å; T884-E887 WeakPolarHBondContact OG1-CG 3.47Å; T884-E887 PolarHBondContact OG1-OE2 3.41Å; E887-C889 VanDerWaalsContact C-N 3.33Å; E887-C889 PolarHBondContact O-N 3.09Å; E887-H890 PolarHBondContact O-N 3.06Å; E887-I891 WeakPolarHBondContact O-CG1 3.24Å; E887-I891 PolarHBondContact O-N 3.16Å; E887-I891 VanDerWaalsContact O-N 3.09Å; E887-V941 HydrophobicContact CB-CG1 3.98Å; E887-V941 HydrophobicContact CB-CG2 3.93Å; E887-V941 HydrophobicContact CG-CG1 4.33Å; E887-V941 HydrophobicContact CG-CG2 4.1Å; E887-K944 WeakPolarHBondContact OE1-CD 3.48Å; E887-K944 WeakPolarHBondContact OE1-CE 3.48Å; E887-K944 IonicContact OE1-NZ 3.4Å; E887-K944 PolarHBondContact OE1-NZ 3.38Å; E887-N945 PolarHBondContact OE1-ND2 3.45Å
888A88.8Confident87.2Confident0 Ų032.6 Ų32.60%015%0.147CC..Hα-helixtrans-60.3-42.7172.800000111.9L822 I832 V883 T884 H890 I891 M892L822-A888 HydrophobicContact CD1-CB 4.12Å; L822-A888 HydrophobicContact CD2-CB 4.03Å; I832-A888 HydrophobicContact CD1-CB 3.39Å; I832-A888 HydrophobicContact CG1-CB 4Å; V883-A888 HydrophobicContact CG2-CB 3.97Å; T884-A888 WeakPolarHBondContact O-CB 3.38Å; T884-A888 PolarHBondContact O-N 2.86Å; A888-H890 VanDerWaalsContact C-N 3.33Å; A888-H890 PolarHBondContact O-N 3.14Å; A888-I891 PolarHBondContact O-N 3.06Å; A888-M892 WeakPolarHBondContact O-CB 3.36Å; A888-M892 VanDerWaalsContact O-CG 3.29Å; A888-M892 WeakPolarHBondContact O-CG 3.35Å; A888-M892 PolarHBondContact O-N 2.84Å
889C89.4Confident87.6Confident9 Ų929.7 Ų29.76%0.06113%0.131CC..Hα-helixtrans-60.9-40.9176.9-172.70000112.1L822 N885 I886 E887 M892 R893L822-C889 HydrophobicContact CB-CB 4.07Å; N885-C889 VanDerWaalsContact O-CB 3.3Å; N885-C889 WeakPolarHBondContact O-CB 3.47Å; N885-C889 PolarHBondContact O-N 3.5Å; I886-C889 WeakPolarHBondContact O-CB 3.29Å; I886-C889 PolarHBondContact O-N 3.41Å; E887-C889 VanDerWaalsContact C-N 3.33Å; E887-C889 PolarHBondContact O-N 3.09Å; C889-M892 PolarHBondContact O-N 3.49Å; C889-R893 WeakPolarHBondContact O-CB 3.47Å; C889-R893 WeakPolarHBondContact O-CG 3.42Å; C889-R893 PolarHBondContact O-N 3.25Å
890H88.3Confident87.8Confident89 Ų8931.7 Ų31.741%0.41214%0.142SC..Hα-helixtrans-63.3-45.3176-75.3-62.4000111.8I886 E887 A888 R893 D894I886-H890 PolarHBondContact O-CD2 3.31Å; I886-H890 PolarHBondContact O-N 2.99Å; E887-H890 PolarHBondContact O-N 3.06Å; A888-H890 VanDerWaalsContact C-N 3.33Å; A888-H890 PolarHBondContact O-N 3.14Å; H890-R893 PolarHBondContact O-N 3.25Å; H890-D894 PolarHBondContact O-N 3.08Å
891I89Confident87.8Confident3 Ų337.1 Ų37.12%0.01517%0.167CC..Hα-helixtrans-63.9-44.7177.9-61.9164000110.9V876 V879 E887 A888 R893 D894 V895 L938 V941V876-I891 HydrophobicContact CG1-CG2 3.31Å; V876-I891 HydrophobicContact CG2-CG2 4.46Å; V879-I891 HydrophobicContact CG1-CD1 3.97Å; E887-I891 WeakPolarHBondContact O-CG1 3.24Å; E887-I891 PolarHBondContact O-N 3.16Å; E887-I891 VanDerWaalsContact O-N 3.09Å; A888-I891 PolarHBondContact O-N 3.06Å; I891-R893 VanDerWaalsContact C-N 3.28Å; I891-R893 PolarHBondContact O-N 3.43Å; I891-D894 PolarHBondContact O-N 3.38Å; I891-D894 VanDerWaalsContact O-N 3.12Å; I891-V895 PolarHBondContact O-N 3.02Å; I891-V895 VanDerWaalsContact O-N 3.07Å; I891-L938 HydrophobicContact CD1-CD1 3.98Å; I891-L938 HydrophobicContact CG1-CD1 4.37Å; I891-L938 HydrophobicContact CG2-CD1 4.06Å; I891-V941 HydrophobicContact CD1-CB 4.08Å; I891-V941 HydrophobicContact CD1-CG1 3.99Å; I891-V941 HydrophobicContact CD1-CG2 4.1Å; I891-V941 HydrophobicContact CG1-CG2 4.22Å
892M90.2Very high87.8Confident0 Ų035.8 Ų35.80%016%0.161CC..Hα-helixtrans-65.6-29.7178.1-68.5-56.29200113.1L815 V819 L822 L840 F844 V876 C880 A888 C889 D894 V895 W896L815-M892 HydrophobicContact CD1-SD 4.35Å; V819-M892 HydrophobicContact CG2-CB 3.72Å; V819-M892 HydrophobicContact CG2-CG 4.41Å; L822-M892 HydrophobicContact CD1-CG 3.91Å; L840-M892 HydrophobicContact CD2-CG 4.17Å; L840-M892 HydrophobicContact CD2-SD 3.55Å; L840-M892 VanDerWaalsContact CD2-SD 3.55Å; F844-M892 HydrophobicContact CE2-CE 3.75Å; F844-M892 HydrophobicContact CE2-SD 3.72Å; F844-M892 HydrophobicContact CZ-CE 3.58Å; F844-M892 HydrophobicContact CZ-SD 3.98Å; V876-M892 HydrophobicContact CG1-CE 3.36Å; C880-M892 WeakPolarHBondContact SG-CE 3.46Å; A888-M892 WeakPolarHBondContact O-CB 3.36Å; A888-M892 VanDerWaalsContact O-CG 3.29Å; A888-M892 WeakPolarHBondContact O-CG 3.35Å; A888-M892 PolarHBondContact O-N 2.84Å; C889-M892 PolarHBondContact O-N 3.49Å; M892-D894 VanDerWaalsContact C-N 3.34Å; M892-V895 HydrophobicContact CE-CG2 4.1Å; M892-V895 PolarHBondContact O-N 3Å; M892-W896 WeakPolarHBondContact O-CB 3.24Å; M892-W896 PolarHBondContact O-N 3.08Å
893R88.6Confident87.8Confident77 Ų7730.9 Ų30.929%0.29115%0.147SC..Hα-helixtrans-68.3-33.7172.8-80.5179.1172.5-169.92.8112.4W767 V819 E823 C889 H890 I891 W896 R897W767-R893 HydrophobicContact CG-CG 4.5Å; W767-R893 VanDerWaalsContact NE1-NH2 3.13Å; V819-R893 HydrophobicContact CG1-CG 4.49Å; E823-R893 IonicContact OE1-NH2 2.81Å; E823-R893 PolarHBondContact OE1-NH2 3.41Å; E823-R893 IonicContact OE2-CZ 2.66Å; E823-R893 IonicContact OE2-NH2 3.64Å; E823-R893 PolarHBondContact OE2-NH2 3.06Å; C889-R893 WeakPolarHBondContact O-CB 3.47Å; C889-R893 WeakPolarHBondContact O-CG 3.42Å; C889-R893 PolarHBondContact O-N 3.25Å; H890-R893 PolarHBondContact O-N 3.25Å; I891-R893 VanDerWaalsContact C-N 3.28Å; I891-R893 PolarHBondContact O-N 3.43Å; R893-W896 PolarHBondContact O-N 3.4Å; R893-R897 WeakPolarHBondContact O-CB 3.1Å; R893-R897 PolarHBondContact O-N 2.96Å
894D88.9Confident87.6Confident8 Ų830.9 Ų30.94%0.04315%0.147CC..Hα-helixtrans-70.4-38.8173-74.9-11.6000111.3H890 I891 M892 W896 R897 Y898 Y934 S937H890-D894 PolarHBondContact O-N 3.08Å; I891-D894 PolarHBondContact O-N 3.38Å; I891-D894 VanDerWaalsContact O-N 3.12Å; M892-D894 VanDerWaalsContact C-N 3.34Å; D894-W896 VanDerWaalsContact C-N 3.33Å; D894-W896 PolarHBondContact O-N 3.32Å; D894-R897 PolarHBondContact O-N 3.34Å; D894-R897 IonicContact OD1-CZ 3.5Å; D894-R897 IonicContact OD1-NH1 2.76Å; D894-R897 PolarHBondContact OD1-NH1 3.47Å; D894-R897 IonicContact OD1-NH2 3.56Å; D894-Y898 PolarHBondContact O-N 3.49Å; D894-Y934 WeakPolarHBondContact CB-O 3.42Å; D894-S937 WeakPolarHBondContact OD2-CB 3.47Å; D894-S937 PolarHBondContact OD2-N 2.74Å; D894-S937 PolarHBondContact OD2-OG 3.44Å
895V88.6Confident87.3Confident1 Ų135.6 Ų35.61%0.00617%0.165CC..Hα-helixtrans-61.2-42.8170.6176.10000111.2W843 F844 L869 L873 V876 I891 M892 R897 Y898 L899W843-V895 HydrophobicContact CH2-CG1 3.96Å; W843-V895 HydrophobicContact CZ3-CG1 4.13Å; F844-V895 HydrophobicContact CZ-CG2 4.36Å; L869-V895 HydrophobicContact CD2-CG1 4.02Å; L873-V895 HydrophobicContact CD2-CG2 4.41Å; V876-V895 HydrophobicContact CG1-CG2 4.37Å; I891-V895 PolarHBondContact O-N 3.02Å; I891-V895 VanDerWaalsContact O-N 3.07Å; M892-V895 HydrophobicContact CE-CG2 4.1Å; M892-V895 PolarHBondContact O-N 3Å; V895-R897 VanDerWaalsContact C-N 3.35Å; V895-R897 PolarHBondContact O-N 2.96Å; V895-Y898 WeakPolarHBondContact O-CB 3.41Å; V895-Y898 PolarHBondContact O-N 3.23Å; V895-L899 HydrophobicContact CG1-CD1 4.39Å; V895-L899 PolarHBondContact O-N 3.3Å; V895-L899 VanDerWaalsContact O-N 3.08Å
896W89.4Confident87.1Confident2 Ų237.7 Ų37.71%0.00818%0.175CC..Hα-helixtrans-61.1-43.2174.5-175.9-78.1000111.6W764 E765 W767 A770 K812 L815 A816 M892 R893 D894 L899 N900W764-W896 AromaticContact CD1-CE2 3.62Å; W764-W896 AromaticContact CD1-CZ2 3.82Å; W764-W896 AromaticContact CD1-NE1 3.58Å; W764-W896 HydrophobicContact CZ2-CD2 4.33Å; W764-W896 AromaticContact CZ2-CE3 3.91Å; W764-W896 HydrophobicContact CZ2-CE3 3.91Å; W764-W896 HydrophobicContact CZ2-CH2 4.25Å; W764-W896 AromaticContact CZ2-CZ3 3.86Å; W764-W896 HydrophobicContact CZ2-CZ3 3.86Å; W764-W896 AromaticContact NE1-CD1 3.72Å; W764-W896 AromaticContact NE1-CD2 3.23Å; W764-W896 AromaticContact NE1-CE2 3.05Å; W764-W896 AromaticContact NE1-CE3 3.7Å; W764-W896 AromaticContact NE1-CG 3.66Å; W764-W896 AromaticContact NE1-CH2 3.8Å; W764-W896 AromaticContact NE1-CZ2 3.35Å; W764-W896 AromaticContact NE1-CZ3 3.95Å; W764-W896 AromaticContact NE1-NE1 3.38Å; W764-W896 PolarHBondContact NE1-O 3.29Å; E765-W896 PolarHBondContact O-NE1 3.2Å; W767-W896 AromaticContact CE3-CD2 3.91Å; W767-W896 HydrophobicContact CE3-CD2 3.91Å; W767-W896 AromaticContact CE3-CE2 3.98Å; W767-W896 HydrophobicContact CE3-CE3 4.21Å; W767-W896 HydrophobicContact CE3-CG 4.33Å; W767-W896 HydrophobicContact CE3-CZ2 4.39Å; W767-W896 HydrophobicContact CZ3-CD2 4.4Å; W767-W896 HydrophobicContact CZ3-CE3 4.24Å; W767-W896 HydrophobicContact CZ3-CZ3 4.34Å; A770-W896 HydrophobicContact CB-CH2 4.01Å; A770-W896 HydrophobicContact CB-CZ2 3.33Å; K812-W896 HydrophobicContact CD-CH2 4.39Å; K812-W896 HydrophobicContact CG-CH2 3.6Å; K812-W896 HydrophobicContact CG-CZ2 4.39Å; K812-W896 HydrophobicContact CG-CZ3 4.2Å; L815-W896 HydrophobicContact CB-CE3 4.46Å; L815-W896 HydrophobicContact CB-CZ3 4.28Å; L815-W896 HydrophobicContact CD2-CE3 3.71Å; L815-W896 HydrophobicContact CD2-CZ3 4.29Å; L815-W896 HydrophobicContact CG-CE3 4Å; L815-W896 HydrophobicContact CG-CZ3 4.31Å; A816-W896 HydrophobicContact CB-CH2 3.79Å; A816-W896 HydrophobicContact CB-CZ3 3.67Å; M892-W896 WeakPolarHBondContact O-CB 3.24Å; M892-W896 PolarHBondContact O-N 3.08Å; R893-W896 PolarHBondContact O-N 3.4Å; D894-W896 VanDerWaalsContact C-N 3.33Å; D894-W896 PolarHBondContact O-N 3.32Å; W896-L899 PolarHBondContact O-N 3.33Å; W896-N900 WeakPolarHBondContact O-CB 3.44Å; W896-N900 PolarHBondContact O-N 2.99Å
897R88.8Confident86.9Confident102 Ų10238 Ų3839%0.38518%0.183SC..Hα-helixtrans-64.8-39.9177.4-166.7-171.7-62.3121.38.8111.7R893 D894 V895 N900 E901 Y934R893-R897 WeakPolarHBondContact O-CB 3.1Å; R893-R897 PolarHBondContact O-N 2.96Å; D894-R897 PolarHBondContact O-N 3.34Å; D894-R897 IonicContact OD1-CZ 3.5Å; D894-R897 IonicContact OD1-NH1 2.76Å; D894-R897 PolarHBondContact OD1-NH1 3.47Å; D894-R897 IonicContact OD1-NH2 3.56Å; V895-R897 VanDerWaalsContact C-N 3.35Å; V895-R897 PolarHBondContact O-N 2.96Å; R897-N900 WeakPolarHBondContact O-CB 3.19Å; R897-N900 PolarHBondContact O-N 3.43Å; R897-E901 WeakPolarHBondContact CG-OE1 3.16Å; R897-E901 PolarHBondContact O-N 3.24Å; R897-E901 VanDerWaalsContact O-N 3.1Å; R897-Y934 HydrophobicContact CB-CD1 4.19Å; R897-Y934 HydrophobicContact CB-CE1 4.25Å; R897-Y934 HydrophobicContact CG-CD1 4.37Å; R897-Y934 HydrophobicContact CG-CE1 3.99Å
898Y87.6Confident86.8Confident1 Ų141.6 Ų41.60%0.00420%0.2CC..Hα-helixtrans-57.4-50.3174.1174.7-96.1000111.3L869 P870 L873 D894 V895 N900 E901 H902 S929 Y934L869-Y898 HydrophobicContact CD2-CD1 4.28Å; P870-Y898 WeakPolarHBondContact CD-OH 3.34Å; P870-Y898 HydrophobicContact CG-CE1 4.15Å; P870-Y898 HydrophobicContact CG-CE2 4.16Å; P870-Y898 WeakPolarHBondContact CG-OH 3.34Å; L873-Y898 HydrophobicContact CD1-CD1 3.8Å; L873-Y898 HydrophobicContact CD1-CD2 3.96Å; L873-Y898 HydrophobicContact CD1-CE1 4.18Å; L873-Y898 HydrophobicContact CD1-CE2 4.31Å; L873-Y898 HydrophobicContact CD1-CG 3.7Å; D894-Y898 PolarHBondContact O-N 3.49Å; V895-Y898 WeakPolarHBondContact O-CB 3.41Å; V895-Y898 PolarHBondContact O-N 3.23Å; Y898-N900 VanDerWaalsContact C-N 3.3Å; Y898-N900 PolarHBondContact O-N 3.16Å; Y898-E901 PolarHBondContact O-N 3.04Å; Y898-H902 AromaticContact CD2-CE1 3.97Å; Y898-H902 AromaticContact CD2-ND1 3.41Å; Y898-H902 WeakPolarHBondContact CD2-ND1 3.41Å; Y898-H902 HydrophobicContact CE1-CB 4.46Å; Y898-H902 HydrophobicContact CE2-CB 4.39Å; Y898-H902 AromaticContact CE2-CE1 3.96Å; Y898-H902 AromaticContact CE2-ND1 3.44Å; Y898-H902 WeakPolarHBondContact CE2-ND1 3.02Å; Y898-H902 WeakPolarHBondContact O-CB 3.05Å; Y898-H902 PolarHBondContact O-N 3.15Å; Y898-H902 PolarHBondContact O-ND1 2.92Å; Y898-H902 VanDerWaalsContact O-ND1 3.08Å; Y898-S929 WeakPolarHBondContact CE2-OG 3.11Å; Y898-S929 PolarHBondContact OH-OG 2.88Å; Y898-Y934 AromaticContact CD2-CD2 3.57Å; Y898-Y934 HydrophobicContact CD2-CD2 3.57Å; Y898-Y934 AromaticContact CD2-CE2 3.72Å; Y898-Y934 HydrophobicContact CD2-CE2 3.72Å; Y898-Y934 HydrophobicContact CD2-CG 4.09Å; Y898-Y934 HydrophobicContact CG-CD2 4.36Å; Y898-Y934 HydrophobicContact CG-CG 4.44Å
899L87.5Confident86.7Confident2 Ų241.6 Ų41.61%0.0120%0.2CC..Hα-helixtrans-67.5-31.6177.9-67172.1000112.3W764 L815 W843 I868 V895 W896 E901 A903W764-L899 HydrophobicContact CD2-CB 3.7Å; W764-L899 HydrophobicContact CE3-CB 3.93Å; W764-L899 HydrophobicContact CG-CB 4.33Å; W764-L899 HydrophobicContact CH2-CB 4.07Å; W764-L899 HydrophobicContact CH2-CD1 3.45Å; W764-L899 VanDerWaalsContact CH2-CD1 3.45Å; W764-L899 HydrophobicContact CH2-CG 4.32Å; W764-L899 HydrophobicContact CZ2-CB 3.82Å; W764-L899 HydrophobicContact CZ2-CD1 3.55Å; W764-L899 HydrophobicContact CZ2-CG 4.33Å; W764-L899 HydrophobicContact CZ3-CB 4.1Å; W764-L899 HydrophobicContact CZ3-CD1 4.04Å; L815-L899 HydrophobicContact CD2-CD1 4.26Å; W843-L899 HydrophobicContact CH2-CD1 3.76Å; W843-L899 HydrophobicContact CZ2-CD1 3.86Å; I868-L899 HydrophobicContact CG2-CD2 3.88Å; V895-L899 HydrophobicContact CG1-CD1 4.39Å; V895-L899 PolarHBondContact O-N 3.3Å; V895-L899 VanDerWaalsContact O-N 3.08Å; W896-L899 PolarHBondContact O-N 3.33Å; L899-E901 VanDerWaalsContact C-N 3.27Å; L899-E901 PolarHBondContact O-N 3.05Å; L899-A903 WeakPolarHBondContact O-CB 3.49Å; L899-A903 PolarHBondContact O-N 3.08Å
900N86.9Confident86.6Confident43 Ų4346.3 Ų46.323%0.2322%0.222CC..Hα-helixtrans-58.3-40.2173-169.341.6000112.7W764 E765 W896 R897 Y898W764-N900 HydrophobicContact CG-CB 4.38Å; W764-N900 PolarHBondContact O-OD1 3.12Å; E765-N900 VanDerWaalsContact CA-OD1 3.29Å; E765-N900 WeakPolarHBondContact CA-OD1 3.23Å; E765-N900 PolarHBondContact N-OD1 3.32Å; E765-N900 PolarHBondContact O-OD1 3.36Å; W896-N900 WeakPolarHBondContact O-CB 3.44Å; W896-N900 PolarHBondContact O-N 2.99Å; R897-N900 WeakPolarHBondContact O-CB 3.19Å; R897-N900 PolarHBondContact O-N 3.43Å; Y898-N900 VanDerWaalsContact C-N 3.3Å; Y898-N900 PolarHBondContact O-N 3.16Å
901E84.1Confident86.6Confident114 Ų11448.1 Ų48.153%0.53323%0.23SC..Hα-helixtrans-93.2-24.2-173.7-69.3173.9-159.300113.3R897 Y898 L899 Y934R897-E901 WeakPolarHBondContact CG-OE1 3.16Å; R897-E901 PolarHBondContact O-N 3.24Å; R897-E901 VanDerWaalsContact O-N 3.1Å; Y898-E901 PolarHBondContact O-N 3.04Å; L899-E901 VanDerWaalsContact C-N 3.27Å; L899-E901 PolarHBondContact O-N 3.05Å; E901-Y934 PolarHBondContact OE2-OH 3.24Å
902H83.1Confident86.5Confident53 Ų5349.2 Ų49.225%0.24523%0.234CC..Hα-helixtrans-122.1-6.3-171.5-59106.1000116Y898 S927 S929 Y934Y898-H902 AromaticContact CD2-CE1 3.97Å; Y898-H902 AromaticContact CD2-ND1 3.41Å; Y898-H902 WeakPolarHBondContact CD2-ND1 3.41Å; Y898-H902 HydrophobicContact CE1-CB 4.46Å; Y898-H902 HydrophobicContact CE2-CB 4.39Å; Y898-H902 AromaticContact CE2-CE1 3.96Å; Y898-H902 AromaticContact CE2-ND1 3.44Å; Y898-H902 WeakPolarHBondContact CE2-ND1 3.02Å; Y898-H902 WeakPolarHBondContact O-CB 3.05Å; Y898-H902 PolarHBondContact O-N 3.15Å; Y898-H902 PolarHBondContact O-ND1 2.92Å; Y898-H902 VanDerWaalsContact O-ND1 3.08Å; H902-S927 WeakPolarHBondContact O-CB 3.33Å; H902-S929 WeakPolarHBondContact CD2-CB 3.32Å; H902-S929 PolarHBondContact CD2-OG 3.41Å; H902-S929 PolarHBondContact CE1-OG 2.93Å; H902-S929 PolarHBondContact ND1-OG 2.95Å; H902-S929 WeakPolarHBondContact NE2-CB 3.46Å; H902-S929 PolarHBondContact NE2-OG 2.56Å; H902-Y934 AromaticContact CE1-CE2 3.67Å; H902-Y934 AromaticContact CE1-CZ 3.7Å; H902-Y934 PolarHBondContact CE1-OH 2.95Å
903A84Confident86.4Confident20 Ų2050.3 Ų50.317%0.16524%0.238CC..SBendtrans-66.4133173.800000110.1W764 W805 L808 L899W764-A903 HydrophobicContact CE3-CB 4.17Å; W805-A903 HydrophobicContact CZ3-CB 4.34Å; L808-A903 HydrophobicContact CD2-CB 3.99Å; L899-A903 WeakPolarHBondContact O-CB 3.49Å; L899-A903 PolarHBondContact O-N 3.08Å
904P82Confident86.4Confident5 Ų550.9 Ų50.93%0.03224%0.244CC..PPolyproline II helixtrans-67.2146.9-17829.1-34.7000110.8W805 E908 L926W805-P904 HydrophobicContact CD2-CG 4.16Å; W805-P904 HydrophobicContact CE3-CG 3.85Å; W805-P904 HydrophobicContact CZ3-CG 4.08Å; P904-E908 HydrophobicContact CB-CB 4.4Å; P904-L926 HydrophobicContact CB-CD2 3.77Å; P904-L926 HydrophobicContact CG-CD2 4.01Å
905K82.4Confident86.3Confident132 Ų13252.4 Ų52.457%0.57425%0.253SS*.PPolyproline II helixtrans-70.2156.7169.1-64.9174-171.9156.50109.8S907 E908 L909K905-S907 PolarHBondContact O-N 3.42Å; K905-E908 HydrophobicContact CB-CG 4.3Å; K905-E908 PolarHBondContact N-OE2 3.26Å; K905-E908 WeakPolarHBondContact O-CB 3.12Å; K905-E908 PolarHBondContact O-N 3.46Å; K905-E908 VanDerWaalsContact O-N 3.08Å; K905-L909 PolarHBondContact O-N 3Å
906L84Confident86.1Confident54 Ų5454.7 Ų54.728%0.28326%0.264SS..Hα-helixtrans-55.3-39.6178.6-179.856.5000112.6Y762 L909 Q910Y762-L906 HydrophobicContact CD1-CB 4.45Å; Y762-L906 HydrophobicContact CD1-CD1 4.29Å; Y762-L906 HydrophobicContact CD2-CB 3.73Å; Y762-L906 HydrophobicContact CD2-CD1 3.81Å; Y762-L906 HydrophobicContact CD2-CD2 3.76Å; Y762-L906 HydrophobicContact CD2-CG 3.96Å; Y762-L906 HydrophobicContact CE1-CD1 4Å; Y762-L906 HydrophobicContact CE2-CB 4.34Å; Y762-L906 HydrophobicContact CE2-CD1 3.51Å; Y762-L906 HydrophobicContact CE2-CD2 3.81Å; Y762-L906 HydrophobicContact CE2-CG 4.08Å; Y762-L906 HydrophobicContact CG-CB 3.8Å; Y762-L906 HydrophobicContact CG-CD1 4.19Å; Y762-L906 HydrophobicContact CG-CG 4.42Å; L906-L909 PolarHBondContact O-N 3.11Å; L906-Q910 HydrophobicContact CD1-CG 3.99Å; L906-Q910 HydrophobicContact CG-CG 4.32Å; L906-Q910 WeakPolarHBondContact O-CB 3.37Å; L906-Q910 VanDerWaalsContact O-CG 3.28Å; L906-Q910 WeakPolarHBondContact O-CG 3.41Å; L906-Q910 PolarHBondContact O-N 2.93Å
907S84.5Confident85.9Confident73 Ų7357.5 Ų57.551%0.5128%0.279SS..Hα-helixtrans-63.1-43.7177.952.10000112.3K905 L909 Q910 E911K905-S907 PolarHBondContact O-N 3.42Å; S907-L909 VanDerWaalsContact C-N 3.34Å; S907-Q910 PolarHBondContact O-N 3.15Å; S907-E911 WeakPolarHBondContact O-CB 3.24Å; S907-E911 PolarHBondContact O-N 2.93Å
908E85.6Confident85.7Confident85 Ų8557.1 Ų57.140%0.39729%0.285SS..Hα-helixtrans-65.4-40.7177.8-65.5160.2-170.700110.4P904 K905 Y912P904-E908 HydrophobicContact CB-CB 4.4Å; K905-E908 HydrophobicContact CB-CG 4.3Å; K905-E908 PolarHBondContact N-OE2 3.26Å; K905-E908 WeakPolarHBondContact O-CB 3.12Å; K905-E908 PolarHBondContact O-N 3.46Å; K905-E908 VanDerWaalsContact O-N 3.08Å; E908-Y912 VanDerWaalsContact O-CB 3.26Å; E908-Y912 WeakPolarHBondContact O-CB 3.3Å; E908-Y912 PolarHBondContact O-N 3Å
909L86.9Confident85.3Confident1 Ų165.6 Ų65.61%0.00532%0.322CS..Hα-helixtrans-65.9-42.3176.7-178.664.1000112.5Y762 P802 W805 F806 K905 L906 S907 Y912 Y913 L926Y762-L909 HydrophobicContact CE1-CD2 4.05Å; P802-L909 HydrophobicContact CB-CD1 4.03Å; P802-L909 HydrophobicContact CG-CD1 4.04Å; W805-L909 HydrophobicContact CB-CD1 3.55Å; W805-L909 HydrophobicContact CB-CD2 3.76Å; W805-L909 HydrophobicContact CB-CG 4.32Å; W805-L909 HydrophobicContact CG-CD1 4.15Å; F806-L909 HydrophobicContact CD1-CD2 3.8Å; F806-L909 HydrophobicContact CD1-CG 4.42Å; F806-L909 HydrophobicContact CD2-CD1 4.45Å; F806-L909 HydrophobicContact CD2-CD2 3.88Å; F806-L909 HydrophobicContact CD2-CG 4.25Å; F806-L909 HydrophobicContact CE1-CD2 3.81Å; F806-L909 HydrophobicContact CE1-CG 3.94Å; F806-L909 HydrophobicContact CE2-CD1 3.96Å; F806-L909 HydrophobicContact CE2-CD2 3.9Å; F806-L909 HydrophobicContact CE2-CG 3.75Å; F806-L909 HydrophobicContact CG-CD2 3.86Å; F806-L909 HydrophobicContact CZ-CD1 4.25Å; F806-L909 HydrophobicContact CZ-CD2 3.88Å; F806-L909 HydrophobicContact CZ-CG 3.6Å; K905-L909 PolarHBondContact O-N 3Å; L906-L909 PolarHBondContact O-N 3.11Å; S907-L909 VanDerWaalsContact C-N 3.34Å; L909-Y912 PolarHBondContact O-N 3.26Å; L909-Y913 WeakPolarHBondContact O-CB 3.32Å; L909-Y913 PolarHBondContact O-N 2.8Å; L909-L926 HydrophobicContact CD1-CD1 3.9Å; L909-L926 HydrophobicContact CD1-CD2 4.2Å
910Q88.8Confident84.7Confident108 Ų10869.4 Ų69.451%0.50534%0.341SS..Hα-helixtrans-65.9-42.9176.6-77.3176.1-22.100111.7F806 L906 S907 Y913 Q914F806-Q910 HydrophobicContact CE1-CG 4.41Å; L906-Q910 HydrophobicContact CD1-CG 3.99Å; L906-Q910 HydrophobicContact CG-CG 4.32Å; L906-Q910 WeakPolarHBondContact O-CB 3.37Å; L906-Q910 VanDerWaalsContact O-CG 3.28Å; L906-Q910 WeakPolarHBondContact O-CG 3.41Å; L906-Q910 PolarHBondContact O-N 2.93Å; S907-Q910 PolarHBondContact O-N 3.15Å; Q910-Y913 PolarHBondContact O-N 2.91Å; Q910-Q914 WeakPolarHBondContact O-CB 3.36Å; Q910-Q914 PolarHBondContact O-N 3.4Å
911E87.7Confident83.8Confident126 Ų12673.9 Ų73.959%0.58937%0.365SS*.Hα-helixtrans-61.8-46175-176.3178.4177.500111S907 Y913 Q914 N915S907-E911 WeakPolarHBondContact O-CB 3.24Å; S907-E911 PolarHBondContact O-N 2.93Å; E911-Y913 PolarHBondContact O-N 2.94Å; E911-Q914 PolarHBondContact O-N 2.92Å; E911-N915 WeakPolarHBondContact O-CB 3.44Å; E911-N915 PolarHBondContact O-N 3.18Å; E911-N915 PolarHBondContact O-ND2 3.04Å
912Y86.7Confident82.9Confident27 Ų2776.3 Ų76.311%0.10638%0.382CS..Hα-helixtrans-60.4-46177.3-168.5-86.1000112.4Y801 P802 E908 L909 Q914 N915 I916 M923 G924 L926Y801-Y912 HydrophobicContact CD1-CE1 4.15Å; Y801-Y912 AromaticContact CE1-CE1 3.47Å; Y801-Y912 HydrophobicContact CE1-CE1 3.47Å; Y801-Y912 VanDerWaalsContact CE1-CE1 3.47Å; Y801-Y912 AromaticContact CE1-CZ 3.78Å; Y801-Y912 WeakPolarHBondContact CE1-OH 3.49Å; P802-Y912 HydrophobicContact CB-CD1 4.43Å; P802-Y912 HydrophobicContact CG-CD1 3.96Å; P802-Y912 HydrophobicContact CG-CE1 4.38Å; E908-Y912 VanDerWaalsContact O-CB 3.26Å; E908-Y912 WeakPolarHBondContact O-CB 3.3Å; E908-Y912 PolarHBondContact O-N 3Å; L909-Y912 PolarHBondContact O-N 3.26Å; Y912-Q914 VanDerWaalsContact C-N 3.35Å; Y912-Q914 PolarHBondContact O-N 3.27Å; Y912-N915 WeakPolarHBondContact O-CB 3.49Å; Y912-N915 PolarHBondContact O-N 3.22Å; Y912-I916 HydrophobicContact CD1-CD1 3.65Å; Y912-I916 HydrophobicContact CD1-CG1 4.3Å; Y912-I916 HydrophobicContact CE1-CD1 3.44Å; Y912-I916 VanDerWaalsContact CE1-CD1 3.44Å; Y912-I916 HydrophobicContact CE1-CG1 4.1Å; Y912-I916 PolarHBondContact O-N 2.94Å; Y912-M923 HydrophobicContact CD1-CE 4.03Å; Y912-M923 HydrophobicContact CD2-CE 3.4Å; Y912-M923 VanDerWaalsContact CD2-CE 3.4Å; Y912-M923 HydrophobicContact CE1-CE 4.06Å; Y912-M923 HydrophobicContact CE2-CB 4.35Å; Y912-M923 HydrophobicContact CE2-CE 3.41Å; Y912-M923 VanDerWaalsContact CE2-CE 3.41Å; Y912-M923 HydrophobicContact CE2-SD 4.49Å; Y912-M923 HydrophobicContact CG-CE 3.73Å; Y912-M923 WeakPolarHBondContact O-CE 3.48Å; Y912-G924 WeakPolarHBondContact CE2-O 3.43Å; Y912-G924 PolarHBondContact OH-O 3.36Å; Y912-L926 HydrophobicContact CD1-CD1 3.39Å; Y912-L926 HydrophobicContact CD1-CD2 4.45Å; Y912-L926 HydrophobicContact CD1-CG 3.85Å; Y912-L926 HydrophobicContact CD2-CD1 4.2Å; Y912-L926 HydrophobicContact CD2-CD2 4.11Å; Y912-L926 HydrophobicContact CD2-CG 3.69Å; Y912-L926 HydrophobicContact CE1-CD1 3.65Å; Y912-L926 HydrophobicContact CE1-CG 4.11Å; Y912-L926 HydrophobicContact CE2-CD1 4.43Å; Y912-L926 HydrophobicContact CE2-CG 3.98Å; Y912-L926 HydrophobicContact CG-CD1 3.68Å; Y912-L926 HydrophobicContact CG-CD2 3.89Å; Y912-L926 HydrophobicContact CG-CG 3.61Å
913Y88.2Confident82.2Confident22 Ų2275.7 Ų75.79%0.08638%0.379CS..Hα-helixtrans-60.4-44.4175.1171.4-101.7000111.6I739 H743 F806 L909 Q910 E911 N915 I916 L917I739-Y913 HydrophobicContact CD1-CD2 4.41Å; I739-Y913 HydrophobicContact CD1-CE2 4.38Å; I739-Y913 HydrophobicContact CG1-CE2 4.15Å; H743-Y913 HydrophobicContact CB-CD2 4.23Å; H743-Y913 HydrophobicContact CB-CE2 3.44Å; H743-Y913 VanDerWaalsContact CB-CE2 3.44Å; H743-Y913 AromaticContact CE1-CE1 3.73Å; H743-Y913 AromaticContact CE1-CZ 3.94Å; H743-Y913 AromaticContact CG-CE1 3.98Å; H743-Y913 AromaticContact CG-CE2 3.51Å; H743-Y913 AromaticContact CG-CZ 3.44Å; H743-Y913 VanDerWaalsContact CG-CZ 3.44Å; H743-Y913 AromaticContact ND1-CE1 3.63Å; H743-Y913 AromaticContact ND1-CE2 3.94Å; H743-Y913 AromaticContact ND1-CZ 3.35Å; H743-Y913 PolarHBondContact ND1-OH 2.84Å; F806-Y913 HydrophobicContact CZ-CG 4.23Å; L909-Y913 WeakPolarHBondContact O-CB 3.32Å; L909-Y913 PolarHBondContact O-N 2.8Å; Q910-Y913 PolarHBondContact O-N 2.91Å; E911-Y913 PolarHBondContact O-N 2.94Å; Y913-N915 VanDerWaalsContact C-N 3.28Å; Y913-N915 PolarHBondContact O-N 3.23Å; Y913-I916 PolarHBondContact O-N 3.45Å; Y913-L917 HydrophobicContact CD1-CD1 4.15Å; Y913-L917 HydrophobicContact CE1-CD1 3.43Å; Y913-L917 VanDerWaalsContact CE1-CD1 3.43Å; Y913-L917 HydrophobicContact CE1-CG 4.03Å; Y913-L917 HydrophobicContact CE2-CD1 4.49Å; Y913-L917 HydrophobicContact CE2-CD2 4.28Å; Y913-L917 HydrophobicContact CE2-CG 4.33Å; Y913-L917 PolarHBondContact O-N 2.86Å
914Q88.8Confident81.5Confident89 Ų8976.6 Ų76.642%0.41639%0.391SS..Hα-helixtrans-62.1-38177.1-170.660.539.300111.8Q910 E911 Y912 I916 L917 N918Q910-Q914 WeakPolarHBondContact O-CB 3.36Å; Q910-Q914 PolarHBondContact O-N 3.4Å; E911-Q914 PolarHBondContact O-N 2.92Å; Y912-Q914 VanDerWaalsContact C-N 3.35Å; Y912-Q914 PolarHBondContact O-N 3.27Å; Q914-I916 VanDerWaalsContact C-N 3.34Å; Q914-I916 PolarHBondContact O-N 3.5Å; Q914-L917 PolarHBondContact O-N 3.28Å; Q914-N918 PolarHBondContact NE2-OD1 2.98Å; Q914-N918 WeakPolarHBondContact O-CB 3.26Å; Q914-N918 PolarHBondContact O-N 3.09Å; Q914-N918 PolarHBondContact O-ND2 3.4Å
915N87Confident80.9Confident40 Ų4078.1 Ų78.121%0.21440%0.401CS..Hα-helixtrans-65.4-35.8176.3-72.4-16000112.5E911 Y912 Y913 N918 K919 I920 M923E911-N915 WeakPolarHBondContact O-CB 3.44Å; E911-N915 PolarHBondContact O-N 3.18Å; E911-N915 PolarHBondContact O-ND2 3.04Å; Y912-N915 WeakPolarHBondContact O-CB 3.49Å; Y912-N915 PolarHBondContact O-N 3.22Å; Y913-N915 VanDerWaalsContact C-N 3.28Å; Y913-N915 PolarHBondContact O-N 3.23Å; N915-N918 PolarHBondContact O-N 3.43Å; N915-K919 PolarHBondContact O-N 3.47Å; N915-I920 HydrophobicContact CB-CD1 3.82Å; N915-I920 PolarHBondContact O-N 3.24Å; N915-I920 VanDerWaalsContact O-N 3.16Å; N915-I920 WeakPolarHBondContact OD1-CD1 3.2Å; N915-M923 HydrophobicContact CB-CE 3.33Å; N915-M923 HydrophobicContact CB-SD 3.69Å
916I83.9Confident80.4Confident49 Ų4973.4 Ų73.425%0.25138%0.382SS..Hα-helixtrans-65.2-45.1172-66.2164.3000111.1I739 P802 Y912 Y913 Q914 N918 K919 M923I739-I916 HydrophobicContact CD1-CB 4.2Å; I739-I916 HydrophobicContact CD1-CD1 4.14Å; I739-I916 HydrophobicContact CD1-CG2 3.44Å; I739-I916 VanDerWaalsContact CD1-CG2 3.44Å; P802-I916 HydrophobicContact CG-CD1 4.27Å; Y912-I916 HydrophobicContact CD1-CD1 3.65Å; Y912-I916 HydrophobicContact CD1-CG1 4.3Å; Y912-I916 HydrophobicContact CE1-CD1 3.44Å; Y912-I916 VanDerWaalsContact CE1-CD1 3.44Å; Y912-I916 HydrophobicContact CE1-CG1 4.1Å; Y912-I916 PolarHBondContact O-N 2.94Å; Y913-I916 PolarHBondContact O-N 3.45Å; Q914-I916 VanDerWaalsContact C-N 3.34Å; Q914-I916 PolarHBondContact O-N 3.5Å; I916-N918 PolarHBondContact O-N 3.27Å; I916-K919 PolarHBondContact O-N 3.32Å; I916-M923 HydrophobicContact CG1-CE 4.26Å
917L84.6Confident79.6Confident62 Ų6271.9 Ų71.933%0.32538%0.376SS..Hα-helixtrans-60.6-35.6176.5-66.1-175.1000112.1I739 T740 Y913 Q914 K919I739-L917 HydrophobicContact CG2-CD2 3.94Å; T740-L917 HydrophobicContact CG2-CD2 3.7Å; Y913-L917 HydrophobicContact CD1-CD1 4.15Å; Y913-L917 HydrophobicContact CE1-CD1 3.43Å; Y913-L917 VanDerWaalsContact CE1-CD1 3.43Å; Y913-L917 HydrophobicContact CE1-CG 4.03Å; Y913-L917 HydrophobicContact CE2-CD1 4.49Å; Y913-L917 HydrophobicContact CE2-CD2 4.28Å; Y913-L917 HydrophobicContact CE2-CG 4.33Å; Y913-L917 PolarHBondContact O-N 2.86Å; Q914-L917 PolarHBondContact O-N 3.28Å; L917-K919 PolarHBondContact O-N 3.32Å
918N85.2Confident78.6Confident94 Ų9475.1 Ų75.150%0.50339%0.387SS..THydrogen-bonded Turntrans-75.81.7175.9-65.3-17.1000113.5Q914 N915 I916 I920Q914-N918 PolarHBondContact NE2-OD1 2.98Å; Q914-N918 WeakPolarHBondContact O-CB 3.26Å; Q914-N918 PolarHBondContact O-N 3.09Å; Q914-N918 PolarHBondContact O-ND2 3.4Å; N915-N918 PolarHBondContact O-N 3.43Å; I916-N918 PolarHBondContact O-N 3.27Å; N918-I920 VanDerWaalsContact C-N 3.32Å; N918-I920 HydrophobicContact CB-CD1 4.31Å; N918-I920 HydrophobicContact CB-CG1 4.23Å; N918-I920 PolarHBondContact O-N 2.88Å
919K79.3Confident77.8Confident179 Ų17972.1 Ų72.178%0.77838%0.376SS*.THydrogen-bonded Turntrans53.943-179.7-59-177.1178.2-178.30113.3N915 I916 L917 D921N915-K919 PolarHBondContact O-N 3.47Å; I916-K919 PolarHBondContact O-N 3.32Å; L917-K919 PolarHBondContact O-N 3.32Å; K919-D921 PolarHBondContact O-N 3.39Å
920I75.8Confident77.2Confident82 Ų8276.5 Ų76.542%0.42140%0.399SS..  trans-73.9120.7175-67170.5000109.3N915 N918 M923N915-I920 HydrophobicContact CB-CD1 3.82Å; N915-I920 PolarHBondContact O-N 3.24Å; N915-I920 VanDerWaalsContact O-N 3.16Å; N915-I920 WeakPolarHBondContact OD1-CD1 3.2Å; N918-I920 VanDerWaalsContact C-N 3.32Å; N918-I920 HydrophobicContact CB-CD1 4.31Å; N918-I920 HydrophobicContact CB-CG1 4.23Å; N918-I920 PolarHBondContact O-N 2.88Å; I920-M923 HydrophobicContact CB-SD 4.49Å; I920-M923 HydrophobicContact CG2-CG 4.33Å; I920-M923 HydrophobicContact CG2-SD 4.21Å; I920-M923 WeakPolarHBondContact O-CG 3.48Å
921D68.2Low76.6Confident137 Ų13771.8 Ų71.873%0.73338%0.378SS*.SBendtrans-71.8157.7174.1-65.3-38.1000111.8K919 M923K919-D921 PolarHBondContact O-N 3.39Å; D921-M923 PolarHBondContact O-N 3.44Å
922N64.9Low76.2Confident164 Ų16470.3 Ų70.388%0.87737%0.374SS*.SBendtrans62.934.4176.1-54.9-43000115.7G924N922-G924 PolarHBondContact O-N 3.42Å
923M68Low76Confident40 Ų4072.7 Ų72.720%0.19739%0.393CS..PPolyproline II helixtrans-67.3121.7170.1-68.3-81.9-78.500110.1Y912 N915 I916 I920 D921Y912-M923 HydrophobicContact CD1-CE 4.03Å; Y912-M923 HydrophobicContact CD2-CE 3.4Å; Y912-M923 VanDerWaalsContact CD2-CE 3.4Å; Y912-M923 HydrophobicContact CE1-CE 4.06Å; Y912-M923 HydrophobicContact CE2-CB 4.35Å; Y912-M923 HydrophobicContact CE2-CE 3.41Å; Y912-M923 VanDerWaalsContact CE2-CE 3.41Å; Y912-M923 HydrophobicContact CE2-SD 4.49Å; Y912-M923 HydrophobicContact CG-CE 3.73Å; Y912-M923 WeakPolarHBondContact O-CE 3.48Å; N915-M923 HydrophobicContact CB-CE 3.33Å; N915-M923 HydrophobicContact CB-SD 3.69Å; I916-M923 HydrophobicContact CG1-CE 4.26Å; I920-M923 HydrophobicContact CB-SD 4.49Å; I920-M923 HydrophobicContact CG2-CG 4.33Å; I920-M923 HydrophobicContact CG2-SD 4.21Å; I920-M923 WeakPolarHBondContact O-CG 3.48Å; D921-M923 PolarHBondContact O-N 3.44Å
924G68.6Low75.8Confident40 Ų4072.6 Ų72.641%0.41239%0.392SS..PPolyproline II helixtrans-67.8169.8168.400000112Y912 N922Y912-G924 WeakPolarHBondContact CE2-O 3.43Å; Y912-G924 PolarHBondContact OH-O 3.36Å; N922-G924 PolarHBondContact O-N 3.42Å
925P69.4Low75.5Confident37 Ų3768.6 Ų68.624%0.2437%0.374CS..PPolyproline II helixtrans-69.3153.1173.327.3-29.1000111.2Q865 S927 D928Q865-P925 HydrophobicContact CB-CB 4.23Å; Q865-P925 HydrophobicContact CG-CB 4.34Å; Q865-P925 HydrophobicContact CG-CG 4.44Å; P925-S927 VanDerWaalsContact C-N 3.29Å; P925-S927 PolarHBondContact O-N 3.07Å; P925-D928 HydrophobicContact CG-CB 3.85Å
926L72.9Confident75.4Confident32 Ų3270.6 Ų70.617%0.16839%0.387CS..SBendtrans-65.6-33-177.5-95141.6000112.3Y801 P802 P904 L909 Y912Y801-L926 HydrophobicContact CE1-CD1 4.22Å; Y801-L926 WeakPolarHBondContact OH-CB 3.41Å; Y801-L926 WeakPolarHBondContact OH-CD1 3.24Å; Y801-L926 PolarHBondContact OH-N 3.32Å; P802-L926 HydrophobicContact CB-CD1 3.41Å; P802-L926 VanDerWaalsContact CB-CD1 3.41Å; P802-L926 HydrophobicContact CG-CD1 4.03Å; P904-L926 HydrophobicContact CB-CD2 3.77Å; P904-L926 HydrophobicContact CG-CD2 4.01Å; L909-L926 HydrophobicContact CD1-CD1 3.9Å; L909-L926 HydrophobicContact CD1-CD2 4.2Å; Y912-L926 HydrophobicContact CD1-CD1 3.39Å; Y912-L926 HydrophobicContact CD1-CD2 4.45Å; Y912-L926 HydrophobicContact CD1-CG 3.85Å; Y912-L926 HydrophobicContact CD2-CD1 4.2Å; Y912-L926 HydrophobicContact CD2-CD2 4.11Å; Y912-L926 HydrophobicContact CD2-CG 3.69Å; Y912-L926 HydrophobicContact CE1-CD1 3.65Å; Y912-L926 HydrophobicContact CE1-CG 4.11Å; Y912-L926 HydrophobicContact CE2-CD1 4.43Å; Y912-L926 HydrophobicContact CE2-CG 3.98Å; Y912-L926 HydrophobicContact CG-CD1 3.68Å; Y912-L926 HydrophobicContact CG-CD2 3.89Å; Y912-L926 HydrophobicContact CG-CG 3.61Å
927S67.6Low75.4Confident22 Ų2269.5 Ų69.515%0.15438%0.384CS..  trans-129.999.1172.571.80000109.5H902 P925H902-S927 WeakPolarHBondContact O-CB 3.33Å; P925-S927 VanDerWaalsContact C-N 3.29Å; P925-S927 PolarHBondContact O-N 3.07Å
928D63.8Low75.4Confident142 Ų14266.6 Ų66.676%0.75937%0.369SS*.  trans-104.699.9168.1-152.8-3.8000108.8P925P925-D928 HydrophobicContact CG-CB 3.85Å
929S68.6Low75.3Confident22 Ų2268.2 Ų68.215%0.15437%0.368CS..  trans-145.3147.6179.461.30000112.6Y898 H902 P931Y898-S929 WeakPolarHBondContact CE2-OG 3.11Å; Y898-S929 PolarHBondContact OH-OG 2.88Å; H902-S929 WeakPolarHBondContact CD2-CB 3.32Å; H902-S929 PolarHBondContact CD2-OG 3.41Å; H902-S929 PolarHBondContact CE1-OG 2.93Å; H902-S929 PolarHBondContact ND1-OG 2.95Å; H902-S929 WeakPolarHBondContact NE2-CB 3.46Å; H902-S929 PolarHBondContact NE2-OG 2.56Å; S929-P931 VanDerWaalsContact O-CD 3.24Å; S929-P931 WeakPolarHBondContact O-CD 3.24Å
930D74.1Confident75.7Confident93 Ų9364.6 Ų64.650%0.49736%0.356SS..  trans-65.6115.4178.2-1775.5000110N932 P933D930-N932 PolarHBondContact O-N 3.33Å; D930-N932 WeakPolarHBondContact OD1-CB 3.27Å; D930-N932 PolarHBondContact OD1-N 3.12Å; D930-N932 PolarHBondContact OD1-ND2 3.21Å; D930-N932 PolarHBondContact OD2-ND2 3.36Å; D930-P933 VanDerWaalsContact O-CD 3.24Å; D930-P933 WeakPolarHBondContact O-CD 3.25Å
931P75.1Confident76.2Confident9 Ų961.2 Ų61.26%0.05834%0.34CS..  trans-74.6-12.8179.230.4-34.1000112.9P870 Q872 L873 S929 Y934 L935P870-P931 HydrophobicContact CB-CB 4.2Å; P870-P931 HydrophobicContact CB-CG 4.18Å; P870-P931 HydrophobicContact CG-CB 4.27Å; Q872-P931 HydrophobicContact CB-CG 4.08Å; Q872-P931 HydrophobicContact CG-CG 4.11Å; L873-P931 HydrophobicContact CD1-CB 4.2Å; L873-P931 HydrophobicContact CG-CB 4.17Å; S929-P931 VanDerWaalsContact O-CD 3.24Å; S929-P931 WeakPolarHBondContact O-CD 3.24Å; P931-Y934 PolarHBondContact O-N 3.29Å; P931-L935 WeakPolarHBondContact O-CG 3.39Å; P931-L935 PolarHBondContact O-N 3.19Å
932N80.6Confident76.9Confident94 Ų9454.7 Ų54.750%0.50331%0.305SS..G310 helixtrans-51.4-41.8-172.8-72.8-39.6000115.3D930 Y934 L935D930-N932 PolarHBondContact O-N 3.33Å; D930-N932 WeakPolarHBondContact OD1-CB 3.27Å; D930-N932 PolarHBondContact OD1-N 3.12Å; D930-N932 PolarHBondContact OD1-ND2 3.21Å; D930-N932 PolarHBondContact OD2-ND2 3.36Å; N932-Y934 PolarHBondContact O-N 2.88Å; N932-L935 PolarHBondContact O-N 3.43Å
933P82.1Confident77.9Confident77 Ų7751.2 Ų51.250%0.528%0.283SS..G310 helixtrans-60.9-24.7178.2-23.235000113.9D930 V936D930-P933 VanDerWaalsContact O-CD 3.24Å; D930-P933 WeakPolarHBondContact O-CD 3.25Å; P933-V936 WeakPolarHBondContact O-CG2 3.44Å
934Y83.3Confident78.7Confident20 Ų2056.8 Ų56.88%0.07831%0.307CS..G310 helixtrans-99.2-2.5-176.8-47.2-89.2000112.7D894 R897 Y898 E901 H902 P931 N932 V936D894-Y934 WeakPolarHBondContact CB-O 3.42Å; R897-Y934 HydrophobicContact CB-CD1 4.19Å; R897-Y934 HydrophobicContact CB-CE1 4.25Å; R897-Y934 HydrophobicContact CG-CD1 4.37Å; R897-Y934 HydrophobicContact CG-CE1 3.99Å; Y898-Y934 AromaticContact CD2-CD2 3.57Å; Y898-Y934 HydrophobicContact CD2-CD2 3.57Å; Y898-Y934 AromaticContact CD2-CE2 3.72Å; Y898-Y934 HydrophobicContact CD2-CE2 3.72Å; Y898-Y934 HydrophobicContact CD2-CG 4.09Å; Y898-Y934 HydrophobicContact CG-CD2 4.36Å; Y898-Y934 HydrophobicContact CG-CG 4.44Å; E901-Y934 PolarHBondContact OE2-OH 3.24Å; H902-Y934 AromaticContact CE1-CE2 3.67Å; H902-Y934 AromaticContact CE1-CZ 3.7Å; H902-Y934 PolarHBondContact CE1-OH 2.95Å; P931-Y934 PolarHBondContact O-N 3.29Å; N932-Y934 PolarHBondContact O-N 2.88Å; Y934-V936 VanDerWaalsContact C-N 3.34Å
935L82.3Confident79.5Confident6 Ų656.5 Ų56.53%0.03130%0.295CS..SBendtrans-90.42.1175-59.7173.1000112.8Q872 L873 P931 N932 L938 R939 F957Q872-L935 HydrophobicContact CB-CD1 4.06Å; L873-L935 HydrophobicContact CD2-CD2 3.52Å; L873-L935 HydrophobicContact CD2-CG 4.48Å; L873-L935 HydrophobicContact CG-CD2 4.27Å; P931-L935 WeakPolarHBondContact O-CG 3.39Å; P931-L935 PolarHBondContact O-N 3.19Å; N932-L935 PolarHBondContact O-N 3.43Å; L935-L938 HydrophobicContact CD2-CD2 3.74Å; L935-L938 WeakPolarHBondContact O-CB 2.97Å; L935-L938 PolarHBondContact O-N 3.19Å; L935-R939 WeakPolarHBondContact O-CB 3.36Å; L935-R939 PolarHBondContact O-N 3.17Å; L935-F957 HydrophobicContact CB-CE1 3.74Å; L935-F957 HydrophobicContact CB-CZ 4.34Å; L935-F957 HydrophobicContact CD1-CD1 4.46Å; L935-F957 HydrophobicContact CD1-CE1 4.13Å; L935-F957 HydrophobicContact CG-CE1 4.48Å
936V84.6Confident80.1Confident82 Ų8259.9 Ų59.950%0.49731%0.31SS..Hα-helixtrans-62.6-51.6-176.21780000111.7P933 Y934 L938 R939 L940P933-V936 WeakPolarHBondContact O-CG2 3.44Å; Y934-V936 VanDerWaalsContact C-N 3.34Å; V936-L938 VanDerWaalsContact C-N 3.3Å; V936-L938 PolarHBondContact O-N 3.4Å; V936-R939 PolarHBondContact O-N 2.96Å; V936-L940 HydrophobicContact CG1-CD1 4.21Å; V936-L940 WeakPolarHBondContact O-CG 3.45Å; V936-L940 PolarHBondContact O-N 3.23Å
937S84Confident80.5Confident26 Ų2663.4 Ų63.418%0.18234%0.344CS..Hα-helixtrans-64-38.6178-57.30000111.5D894 R939 L940 V941D894-S937 WeakPolarHBondContact OD2-CB 3.47Å; D894-S937 PolarHBondContact OD2-N 2.74Å; D894-S937 PolarHBondContact OD2-OG 3.44Å; S937-R939 VanDerWaalsContact C-N 3.33Å; S937-R939 PolarHBondContact O-N 2.88Å; S937-L940 PolarHBondContact O-N 2.97Å; S937-V941 WeakPolarHBondContact O-CB 3.43Å; S937-V941 VanDerWaalsContact O-CG2 3.24Å; S937-V941 WeakPolarHBondContact O-CG2 3.5Å; S937-V941 PolarHBondContact O-N 2.84Å
938L84.5Confident81.1Confident1 Ų169.2 Ų69.21%0.00537%0.367CS..Hα-helixtrans-57.7-47.1175.4-174.870.9000111.1V876 V879 I891 L935 V936 V941 I942 L956 F957V876-L938 HydrophobicContact CG2-CD1 4.29Å; V876-L938 HydrophobicContact CG2-CD2 3.96Å; V879-L938 HydrophobicContact CB-CD1 3.85Å; V879-L938 HydrophobicContact CG1-CD1 3.71Å; V879-L938 HydrophobicContact CG2-CD1 3.96Å; I891-L938 HydrophobicContact CD1-CD1 3.98Å; I891-L938 HydrophobicContact CG1-CD1 4.37Å; I891-L938 HydrophobicContact CG2-CD1 4.06Å; L935-L938 HydrophobicContact CD2-CD2 3.74Å; L935-L938 WeakPolarHBondContact O-CB 2.97Å; L935-L938 PolarHBondContact O-N 3.19Å; V936-L938 VanDerWaalsContact C-N 3.3Å; V936-L938 PolarHBondContact O-N 3.4Å; L938-V941 PolarHBondContact O-N 3.23Å; L938-I942 HydrophobicContact CD1-CD1 4.22Å; L938-I942 HydrophobicContact CG-CD1 3.85Å; L938-I942 WeakPolarHBondContact O-CB 3.34Å; L938-I942 WeakPolarHBondContact O-CD1 3.29Å; L938-I942 VanDerWaalsContact O-CG1 3.26Å; L938-I942 WeakPolarHBondContact O-CG1 3.33Å; L938-I942 PolarHBondContact O-N 2.78Å; L938-L956 HydrophobicContact CD2-CD1 4.11Å; L938-L956 HydrophobicContact CD2-CD2 4.04Å; L938-F957 HydrophobicContact CD2-CZ 4.21Å; L938-F957 HydrophobicContact CG-CZ 4.39Å
939R84.4Confident82Confident127 Ų12762.5 Ų62.548%0.47933%0.331SS..Hα-helixtrans-61.9-45.7178.4-168.2175.5-177.3173.60.6111.8L935 V936 S937 I942 Q943 F957L935-R939 WeakPolarHBondContact O-CB 3.36Å; L935-R939 PolarHBondContact O-N 3.17Å; V936-R939 PolarHBondContact O-N 2.96Å; S937-R939 VanDerWaalsContact C-N 3.33Å; S937-R939 PolarHBondContact O-N 2.88Å; R939-I942 PolarHBondContact O-N 3.29Å; R939-Q943 WeakPolarHBondContact O-CB 3.21Å; R939-Q943 VanDerWaalsContact O-CG 3.25Å; R939-Q943 WeakPolarHBondContact O-CG 3.39Å; R939-Q943 PolarHBondContact O-N 3.24Å; R939-F957 HydrophobicContact CB-CE1 4.07Å; R939-F957 HydrophobicContact CB-CE2 4.28Å; R939-F957 HydrophobicContact CB-CZ 3.61Å; R939-F957 HydrophobicContact CG-CE1 4.39Å; R939-F957 HydrophobicContact CG-CE2 4.36Å; R939-F957 HydrophobicContact CG-CZ 4.06Å
940L86.2Confident82.2Confident103 Ų10362.9 Ų62.954%0.53934%0.338SS..Hα-helixtrans-63.6-41.7178-69.5173000112V936 S937 Q943 K944V936-L940 HydrophobicContact CG1-CD1 4.21Å; V936-L940 WeakPolarHBondContact O-CG 3.45Å; V936-L940 PolarHBondContact O-N 3.23Å; S937-L940 PolarHBondContact O-N 2.97Å; L940-Q943 PolarHBondContact O-N 3.21Å; L940-K944 WeakPolarHBondContact O-CB 3.24Å; L940-K944 PolarHBondContact O-N 2.81Å
941V86.3Confident82.3Confident11 Ų1163 Ų637%0.06735%0.345CS..Hα-helixtrans-66.2-41.6177.6171.60000111.4V883 E887 I891 S937 L938 K944 N945V883-V941 HydrophobicContact CB-CG1 4.26Å; V883-V941 HydrophobicContact CG1-CG1 3.52Å; E887-V941 HydrophobicContact CB-CG1 3.98Å; E887-V941 HydrophobicContact CB-CG2 3.93Å; E887-V941 HydrophobicContact CG-CG1 4.33Å; E887-V941 HydrophobicContact CG-CG2 4.1Å; I891-V941 HydrophobicContact CD1-CB 4.08Å; I891-V941 HydrophobicContact CD1-CG1 3.99Å; I891-V941 HydrophobicContact CD1-CG2 4.1Å; I891-V941 HydrophobicContact CG1-CG2 4.22Å; S937-V941 WeakPolarHBondContact O-CB 3.43Å; S937-V941 VanDerWaalsContact O-CG2 3.24Å; S937-V941 WeakPolarHBondContact O-CG2 3.5Å; S937-V941 PolarHBondContact O-N 2.84Å; L938-V941 PolarHBondContact O-N 3.23Å; V941-K944 PolarHBondContact O-N 3.45Å; V941-N945 WeakPolarHBondContact O-CB 3.36Å; V941-N945 PolarHBondContact O-N 2.96Å; V941-N945 PolarHBondContact O-ND2 3.46Å; V941-N945 VanDerWaalsContact O-ND2 3.11Å
942I84.1Confident82.1Confident0 Ų064.3 Ų64.30%035%0.352CS..Hα-helixtrans-64.5-43.1175.3-69.6163.2000110.9V879 L938 R939 N945 I946 L949 H953 L956 F957V879-I942 HydrophobicContact CG1-CG1 4.26Å; V879-I942 HydrophobicContact CG2-CD1 4.12Å; V879-I942 HydrophobicContact CG2-CG1 4.28Å; L938-I942 HydrophobicContact CD1-CD1 4.22Å; L938-I942 HydrophobicContact CG-CD1 3.85Å; L938-I942 WeakPolarHBondContact O-CB 3.34Å; L938-I942 WeakPolarHBondContact O-CD1 3.29Å; L938-I942 VanDerWaalsContact O-CG1 3.26Å; L938-I942 WeakPolarHBondContact O-CG1 3.33Å; L938-I942 PolarHBondContact O-N 2.78Å; R939-I942 PolarHBondContact O-N 3.29Å; I942-N945 CarbonylContact O-C 3.22Å; I942-N945 PolarHBondContact O-N 3.14Å; I942-I946 WeakPolarHBondContact O-CA 3.42Å; I942-I946 PolarHBondContact O-N 3.1Å; I942-L949 HydrophobicContact CG1-CB 4.3Å; I942-L949 HydrophobicContact CG1-CD1 4.15Å; I942-L949 HydrophobicContact CG2-CB 4.17Å; I942-H953 HydrophobicContact CG2-CB 3.91Å; I942-L956 HydrophobicContact CD1-CD1 3.6Å; I942-F957 HydrophobicContact CD1-CE2 3.79Å; I942-F957 HydrophobicContact CD1-CZ 4.47Å
943Q85.8Confident81.6Confident92 Ų9262.5 Ų62.543%0.4334%0.34SS..Hα-helixtrans-63-42.7177-75.9174-9.600112.1R939 L940 N945 I946R939-Q943 WeakPolarHBondContact O-CB 3.21Å; R939-Q943 VanDerWaalsContact O-CG 3.25Å; R939-Q943 WeakPolarHBondContact O-CG 3.39Å; R939-Q943 PolarHBondContact O-N 3.24Å; L940-Q943 PolarHBondContact O-N 3.21Å; Q943-N945 VanDerWaalsContact C-N 3.28Å; Q943-N945 PolarHBondContact O-N 2.47Å; Q943-I946 WeakPolarHBondContact O-CB 3.26Å; Q943-I946 PolarHBondContact O-N 2.78Å
944K85.6Confident80.8Confident157 Ų15769 Ų6968%0.68335%0.354SS*.Hα-helixtrans-64.6-33.4175.9-174.1-177.9169.6-152.30112.4E887 L940 V941E887-K944 WeakPolarHBondContact OE1-CD 3.48Å; E887-K944 WeakPolarHBondContact OE1-CE 3.48Å; E887-K944 IonicContact OE1-NZ 3.4Å; E887-K944 PolarHBondContact OE1-NZ 3.38Å; L940-K944 WeakPolarHBondContact O-CB 3.24Å; L940-K944 PolarHBondContact O-N 2.81Å; V941-K944 PolarHBondContact O-N 3.45Å
945N84Confident79.9Confident33 Ų3370.5 Ų70.518%0.17638%0.376CS..THydrogen-bonded Turntrans-108.431.9-179.5-67.7-73.2000112.7E887 V941 I942 Q943 A947 K948 L949E887-N945 PolarHBondContact OE1-ND2 3.45Å; V941-N945 WeakPolarHBondContact O-CB 3.36Å; V941-N945 PolarHBondContact O-N 2.96Å; V941-N945 PolarHBondContact O-ND2 3.46Å; V941-N945 VanDerWaalsContact O-ND2 3.11Å; I942-N945 CarbonylContact O-C 3.22Å; I942-N945 PolarHBondContact O-N 3.14Å; Q943-N945 VanDerWaalsContact C-N 3.28Å; Q943-N945 PolarHBondContact O-N 2.47Å; N945-A947 PolarHBondContact O-N 2.68Å; N945-A947 VanDerWaalsContact O-N 3.08Å; N945-K948 PolarHBondContact O-N 3.23Å; N945-L949 HydrophobicContact CB-CD1 3.87Å; N945-L949 HydrophobicContact CB-CG 4.16Å; N945-L949 PolarHBondContact O-N 3.38Å
946I82Confident78.9Confident109 Ų10970.8 Ų70.856%0.55938%0.378SS*.Hα-helixtrans-59.3-30.7-168.5-158.3162.1000113.5I942 Q943 K948 G950I942-I946 WeakPolarHBondContact O-CA 3.42Å; I942-I946 PolarHBondContact O-N 3.1Å; Q943-I946 WeakPolarHBondContact O-CB 3.26Å; Q943-I946 PolarHBondContact O-N 2.78Å; I946-K948 PolarHBondContact O-N 2.92Å; I946-G950 WeakPolarHBondContact O-CA 3.42Å; I946-G950 PolarHBondContact O-N 2.78Å
947A81.4Confident78.1Confident106 Ų10669 Ų6988%0.87636%0.363SS*.Hα-helixtrans-61.7-30.3175.600000113.2N945N945-A947 PolarHBondContact O-N 2.68Å; N945-A947 VanDerWaalsContact O-N 3.08Å
948K80.7Confident76.7Confident144 Ų14471.7 Ų71.763%0.62638%0.382SS*.Hα-helixtrans-100.7-34.5-179.4-64.6179.7-179.4177.10113.1N945 I946N945-K948 PolarHBondContact O-N 3.23Å; I946-K948 PolarHBondContact O-N 2.92Å
949L81.6Confident74.5Confident1 Ų181.6 Ų81.61%0.00544%0.442CS..Hα-helixtrans-112.3-3.9-168.6-59.9-179.5000114.4V879 R882 V883 I942 N945 C951 L952V879-L949 HydrophobicContact CG1-CD1 3.84Å; R882-L949 HydrophobicContact CB-CD2 3.72Å; R882-L949 HydrophobicContact CG-CD2 4.36Å; V883-L949 HydrophobicContact CG1-CD1 3.73Å; I942-L949 HydrophobicContact CG1-CB 4.3Å; I942-L949 HydrophobicContact CG1-CD1 4.15Å; I942-L949 HydrophobicContact CG2-CB 4.17Å; N945-L949 HydrophobicContact CB-CD1 3.87Å; N945-L949 HydrophobicContact CB-CG 4.16Å; N945-L949 PolarHBondContact O-N 3.38Å; L949-C951 PolarHBondContact O-N 3.21Å; L949-C951 VanDerWaalsContact O-N 3.09Å; L949-L952 HydrophobicContact CD2-CD1 4.1Å; L949-L952 WeakPolarHBondContact O-CB 3.4Å; L949-L952 PolarHBondContact O-N 3.44Å
950G74.2Confident74.1Confident30 Ų3079.4 Ų79.431%0.30944%0.44SS..Hα-helixtrans-56.4-30.3-174.500000114.3I946 L952 H953I946-G950 WeakPolarHBondContact O-CA 3.42Å; I946-G950 PolarHBondContact O-N 2.78Å; G950-L952 VanDerWaalsContact C-N 3.3Å; G950-L952 PolarHBondContact O-N 2.9Å; G950-H953 WeakPolarHBondContact O-CB 3.49Å; G950-H953 PolarHBondContact O-N 2.81Å
951C74.7Confident73.4Confident96 Ų9678.1 Ų78.165%0.64944%0.435SS*.Hα-helixtrans-64.8-31175.458.50000113.5L949L949-C951 PolarHBondContact O-N 3.21Å; L949-C951 VanDerWaalsContact O-N 3.09Å
952L71.7Confident72.7Confident36 Ų3681.8 Ų81.819%0.18846%0.456CS..Hα-helixtrans-78.2-25.1178.7-61.2176.5000112D878 V879 L949 G950 R954 G955 L956D878-L952 HydrophobicContact CB-CD1 4.19Å; V879-L952 HydrophobicContact CG2-CD1 3.79Å; L949-L952 HydrophobicContact CD2-CD1 4.1Å; L949-L952 WeakPolarHBondContact O-CB 3.4Å; L949-L952 PolarHBondContact O-N 3.44Å; G950-L952 VanDerWaalsContact C-N 3.3Å; G950-L952 PolarHBondContact O-N 2.9Å; L952-R954 VanDerWaalsContact C-N 3.26Å; L952-R954 PolarHBondContact O-N 2.76Å; L952-G955 PolarHBondContact O-N 3.06Å; L952-G955 VanDerWaalsContact O-N 3.11Å; L952-L956 HydrophobicContact CB-CD1 4.12Å; L952-L956 PolarHBondContact O-N 3.06Å
953H70.5Confident72Confident56 Ų5686.6 Ų86.626%0.25948%0.482SS..Hα-helixtrans-57.3-39.3-179.3-170.1-70.9000112.2I942 G950 G955 F957I942-H953 HydrophobicContact CG2-CB 3.91Å; G950-H953 WeakPolarHBondContact O-CB 3.49Å; G950-H953 PolarHBondContact O-N 2.81Å; H953-G955 VanDerWaalsContact C-N 3.34Å; H953-G955 PolarHBondContact O-N 3.5Å; H953-F957 AromaticContact CD2-CD2 3.85Å; H953-F957 AromaticContact CE1-CD2 3.87Å; H953-F957 AromaticContact CG-CD2 3.95Å; H953-F957 AromaticContact ND1-CD2 3.96Å; H953-F957 AromaticContact NE2-CD2 3.83Å; H953-F957 PolarHBondContact O-N 3.02Å; H953-F957 VanDerWaalsContact O-N 3.16Å
954R65.3Low71.2Confident213 Ų21386.3 Ų86.380%0.80449%0.486SS*.Hα-helixtrans-69.3-30.9-179.4-163.1178.3-174.7-173.61.7112.5L952 S958L952-R954 VanDerWaalsContact C-N 3.26Å; L952-R954 PolarHBondContact O-N 2.76Å; R954-S958 WeakPolarHBondContact O-CB 3.47Å; R954-S958 PolarHBondContact O-N 3.14Å; R954-S958 PolarHBondContact O-OG 2.62Å; R954-S958 VanDerWaalsContact O-OG 3.1Å
955G63.9Low70.2Confident52 Ų5281.6 Ų81.654%0.53647%0.473SS..Hα-helixtrans-85.4-22.4178.400000114.4L952 H953L952-G955 PolarHBondContact O-N 3.06Å; L952-G955 VanDerWaalsContact O-N 3.11Å; H953-G955 VanDerWaalsContact C-N 3.34Å; H953-G955 PolarHBondContact O-N 3.5Å
956L62.4Low69.2Low11 Ų1185.1 Ų85.16%0.05849%0.494CS..Hα-helixtrans-88.7-33.2-179.1-78.8163.7000113.7Q872 N875 V879 L938 I942 L952Q872-L956 WeakPolarHBondContact O-CD2 3.46Å; N875-L956 HydrophobicContact CB-CD2 3.37Å; N875-L956 HydrophobicContact CB-CG 4.26Å; V879-L956 HydrophobicContact CG2-CD1 3.84Å; L938-L956 HydrophobicContact CD2-CD1 4.11Å; L938-L956 HydrophobicContact CD2-CD2 4.04Å; I942-L956 HydrophobicContact CD1-CD1 3.6Å; L952-L956 HydrophobicContact CB-CD1 4.12Å; L952-L956 PolarHBondContact O-N 3.06Å
957F66.3Low68.2Low45 Ų4583.2 Ų83.220%0.19749%0.489CS..SBendtrans-122.911.6-172.4-57.4-78000113.6L935 L938 R939 I942 H953 V959L935-F957 HydrophobicContact CB-CE1 3.74Å; L935-F957 HydrophobicContact CB-CZ 4.34Å; L935-F957 HydrophobicContact CD1-CD1 4.46Å; L935-F957 HydrophobicContact CD1-CE1 4.13Å; L935-F957 HydrophobicContact CG-CE1 4.48Å; L938-F957 HydrophobicContact CD2-CZ 4.21Å; L938-F957 HydrophobicContact CG-CZ 4.39Å; R939-F957 HydrophobicContact CB-CE1 4.07Å; R939-F957 HydrophobicContact CB-CE2 4.28Å; R939-F957 HydrophobicContact CB-CZ 3.61Å; R939-F957 HydrophobicContact CG-CE1 4.39Å; R939-F957 HydrophobicContact CG-CE2 4.36Å; R939-F957 HydrophobicContact CG-CZ 4.06Å; I942-F957 HydrophobicContact CD1-CE2 3.79Å; I942-F957 HydrophobicContact CD1-CZ 4.47Å; H953-F957 AromaticContact CD2-CD2 3.85Å; H953-F957 AromaticContact CE1-CD2 3.87Å; H953-F957 AromaticContact CG-CD2 3.95Å; H953-F957 AromaticContact ND1-CD2 3.96Å; H953-F957 AromaticContact NE2-CD2 3.83Å; H953-F957 PolarHBondContact O-N 3.02Å; H953-F957 VanDerWaalsContact O-N 3.16Å; F957-V959 PolarHBondContact O-N 3.1Å
958S54.3Low67.1Low82 Ų8281.3 Ų81.357%0.57346%0.456SS*.  trans-67.2109.5169.252.20000108.8R954R954-S958 WeakPolarHBondContact O-CB 3.47Å; R954-S958 PolarHBondContact O-N 3.14Å; R954-S958 PolarHBondContact O-OG 2.62Å; R954-S958 VanDerWaalsContact O-OG 3.1Å
959V40.2Very low65.9Low210 Ų21075.6 Ų75.6100%1.27344%0.441SS*.  trans-49.50162.9-179.30000110.7F957F957-V959 PolarHBondContact O-N 3.1Å

Retrieved 959 of 959 residues in 335.8 ms (Link to these results)

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