A0A077ZIP7_TRITR Loading...

Cation efflux family protein

AlphaFold DB , UniProt , Accession A0A077ZIP7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 362 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M51.1Low70.8Confident138 Ų13883.4 Ų83.468%0.6843%0.433SS*.  0-48.50-86175.5161.700115.1H3 S4 K45 V49M1-H3 PolarHBondContact O-N 3.22Å; M1-S4 PolarHBondContact O-N 3.1Å; M1-K45 PolarHBondContact O-NZ 3.37Å; M1-V49 HydrophobicContact CE-CG2 4.41Å; M1-V49 HydrophobicContact SD-CG2 3.93Å
2K52.1Low72.4Confident199 Ų19976.7 Ų76.787%0.86540%0.399SS*.Hα-helixtrans-53-37.2178.2-74.5-174.5177.6-178.70114.3S4 N5 S6K2-S4 PolarHBondContact O-N 2.99Å; K2-N5 PolarHBondContact O-N 2.81Å; K2-S6 PolarHBondContact O-N 3.28Å
3H57.9Low73.8Confident148 Ų14880.7 Ų80.769%0.68541%0.414SS*.Hα-helixtrans-63.6-38.4-178.7-162.16.8000113.2M1 S6 I7M1-H3 PolarHBondContact O-N 3.22Å; H3-S6 WeakPolarHBondContact O-CB 3.44Å; H3-S6 PolarHBondContact O-N 2.86Å; H3-I7 WeakPolarHBondContact O-CG1 3.37Å; H3-I7 PolarHBondContact O-N 3.46Å
4S60.3Low75.2Confident37 Ų3786 Ų8626%0.25943%0.428SS..Hα-helixtrans-75.5-29.1-1791480000113.3M1 K2 S6 I7 D8 K45M1-S4 PolarHBondContact O-N 3.1Å; K2-S4 PolarHBondContact O-N 2.99Å; S4-S6 VanDerWaalsContact C-N 3.3Å; S4-S6 PolarHBondContact O-N 3.49Å; S4-I7 PolarHBondContact O-N 2.95Å; S4-D8 PolarHBondContact O-N 3.32Å; S4-K45 PolarHBondContact OG-NZ 3.47Å
5N63.5Low76.4Confident42 Ų4283.1 Ų83.123%0.22541%0.412CS..Hα-helixtrans-65.1-37.3171.7-79.613.8000111.5K2 I7 D8 S9 K45 D46K2-N5 PolarHBondContact O-N 2.81Å; N5-I7 VanDerWaalsContact C-N 3.33Å; N5-D8 PolarHBondContact O-N 3.28Å; N5-S9 WeakPolarHBondContact O-CB 3.23Å; N5-S9 PolarHBondContact O-N 3.02Å; N5-S9 VanDerWaalsContact O-N 3.1Å; N5-S9 PolarHBondContact O-OG 3.27Å; N5-K45 WeakPolarHBondContact OD1-CD 3.48Å; N5-K45 WeakPolarHBondContact OD1-CE 3.42Å; N5-K45 PolarHBondContact OD1-NZ 3.16Å; N5-D46 PolarHBondContact ND2-OD1 3.42Å
6S71.3Confident77.3Confident47 Ų4780.3 Ų80.333%0.32940%0.397SS..Hα-helixtrans-57.6-49.1172.8-156.80000110.2K2 H3 S4 D8 S9 E10K2-S6 PolarHBondContact O-N 3.28Å; H3-S6 WeakPolarHBondContact O-CB 3.44Å; H3-S6 PolarHBondContact O-N 2.86Å; S4-S6 VanDerWaalsContact C-N 3.3Å; S4-S6 PolarHBondContact O-N 3.49Å; S6-D8 PolarHBondContact O-N 3.07Å; S6-S9 PolarHBondContact O-N 3.38Å; S6-S9 PolarHBondContact O-OG 2.94Å; S6-E10 WeakPolarHBondContact O-CB 3.43Å; S6-E10 VanDerWaalsContact O-CG 3.27Å; S6-E10 WeakPolarHBondContact O-CG 3.45Å; S6-E10 PolarHBondContact O-N 3.44Å; S6-E10 PolarHBondContact OG-OE1 3.11Å
7I80.9Confident78.3Confident73 Ų7380.2 Ų80.237%0.37440%0.396SS..Hα-helixtrans-60.4-47.6-179-64166.1000111.3H3 S4 N5 S9 E10 C11H3-I7 WeakPolarHBondContact O-CG1 3.37Å; H3-I7 PolarHBondContact O-N 3.46Å; S4-I7 PolarHBondContact O-N 2.95Å; N5-I7 VanDerWaalsContact C-N 3.33Å; I7-S9 VanDerWaalsContact C-N 3.31Å; I7-S9 PolarHBondContact O-N 3.32Å; I7-E10 PolarHBondContact O-N 2.96Å; I7-C11 WeakPolarHBondContact O-CB 3.36Å; I7-C11 PolarHBondContact O-N 2.8Å; I7-C11 PolarHBondContact O-SG 2.66Å
8D82.4Confident79.1Confident14 Ų1476.7 Ų76.78%0.07538%0.381CS..Hα-helixtrans-63.7-38.2-179.2-63.5-37.8000111.6S4 N5 S6 A12S4-D8 PolarHBondContact O-N 3.32Å; N5-D8 PolarHBondContact O-N 3.28Å; S6-D8 PolarHBondContact O-N 3.07Å; D8-A12 WeakPolarHBondContact O-CB 3.34Å; D8-A12 PolarHBondContact O-N 2.85Å
9S82.1Confident79.8Confident62 Ų6272.6 Ų72.643%0.43436%0.361SS..Hα-helixtrans-68.3-4317668.80000112.9N5 S6 I7 A12 E13N5-S9 WeakPolarHBondContact O-CB 3.23Å; N5-S9 PolarHBondContact O-N 3.02Å; N5-S9 VanDerWaalsContact O-N 3.1Å; N5-S9 PolarHBondContact O-OG 3.27Å; S6-S9 PolarHBondContact O-N 3.38Å; S6-S9 PolarHBondContact O-OG 2.94Å; I7-S9 VanDerWaalsContact C-N 3.31Å; I7-S9 PolarHBondContact O-N 3.32Å; S9-A12 WeakPolarHBondContact O-CB 3.35Å; S9-A12 PolarHBondContact O-N 2.99Å; S9-E13 PolarHBondContact O-N 3.48Å
10E88.2Confident80.4Confident109 Ų10977.6 Ų77.651%0.50938%0.376SS..Hα-helixtrans-64-42.6175.9-73.6166.3-146.400111S6 I7 A12 E13 Y14S6-E10 WeakPolarHBondContact O-CB 3.43Å; S6-E10 VanDerWaalsContact O-CG 3.27Å; S6-E10 WeakPolarHBondContact O-CG 3.45Å; S6-E10 PolarHBondContact O-N 3.44Å; S6-E10 PolarHBondContact OG-OE1 3.11Å; I7-E10 PolarHBondContact O-N 2.96Å; E10-A12 VanDerWaalsContact C-N 3.32Å; E10-A12 PolarHBondContact O-N 3.41Å; E10-E13 PolarHBondContact O-N 2.77Å; E10-Y14 WeakPolarHBondContact O-CB 3.26Å; E10-Y14 PolarHBondContact O-N 3.36Å
11C89.2Confident81Confident48 Ų4883.2 Ų83.232%0.32439%0.393SS..Hα-helixtrans-61.6-40.6173.4-72.80000111.7I7 Y14 F15 M38I7-C11 WeakPolarHBondContact O-CB 3.36Å; I7-C11 PolarHBondContact O-N 2.8Å; I7-C11 PolarHBondContact O-SG 2.66Å; C11-Y14 PolarHBondContact O-N 3.48Å; C11-F15 HydrophobicContact CB-CE2 4.48Å; C11-F15 WeakPolarHBondContact O-CD2 3.33Å; C11-F15 WeakPolarHBondContact O-CG 3.44Å; C11-F15 PolarHBondContact O-N 2.98Å; C11-M38 HydrophobicContact CB-CG 4.27Å; C11-M38 HydrophobicContact CB-SD 4.34Å
12A89.4Confident82.8Confident3 Ų377 Ų773%0.02536%0.363CS..Hα-helixtrans-62-43.3176.200000112D8 S9 E10 F15 E16 M38 R39D8-A12 WeakPolarHBondContact O-CB 3.34Å; D8-A12 PolarHBondContact O-N 2.85Å; S9-A12 WeakPolarHBondContact O-CB 3.35Å; S9-A12 PolarHBondContact O-N 2.99Å; E10-A12 VanDerWaalsContact C-N 3.32Å; E10-A12 PolarHBondContact O-N 3.41Å; A12-F15 PolarHBondContact O-N 2.98Å; A12-E16 WeakPolarHBondContact O-CG 3.31Å; A12-E16 PolarHBondContact O-N 3.08Å; A12-M38 HydrophobicContact CB-CB 3.76Å; A12-R39 HydrophobicContact CB-CG 3.9Å
13E91.4Very high84.7Confident129 Ų12973.3 Ų73.360%0.60336%0.36SS*.Hα-helixtrans-64.9-42.9175.9-72-173171.900112.1S9 E10 F15 E16 E17S9-E13 PolarHBondContact O-N 3.48Å; E10-E13 PolarHBondContact O-N 2.77Å; E13-F15 VanDerWaalsContact C-N 3.3Å; E13-F15 PolarHBondContact O-N 2.85Å; E13-E16 WeakPolarHBondContact O-CB 3.3Å; E13-E16 PolarHBondContact O-N 2.93Å; E13-E16 VanDerWaalsContact O-N 3.12Å; E13-E17 PolarHBondContact O-N 3.12Å
14Y92.7Very high86.4Confident155 Ų15569.5 Ų69.561%0.60835%0.347SS*.Hα-helixtrans-56.5-44.6174.2178.6-92.7000111.7E10 C11 E17 A18E10-Y14 WeakPolarHBondContact O-CB 3.26Å; E10-Y14 PolarHBondContact O-N 3.36Å; C11-Y14 PolarHBondContact O-N 3.48Å; Y14-E17 PolarHBondContact O-N 3.07Å; Y14-A18 WeakPolarHBondContact O-CB 3.47Å; Y14-A18 PolarHBondContact O-N 3.29Å
15F92.8Very high87.9Confident43 Ų4377 Ų7719%0.18937%0.37CS..Hα-helixtrans-66.8-35.9176.7-72.5-53.1000112.8C11 A12 E13 A18 A19 Y31 Q34 A35 M38C11-F15 HydrophobicContact CB-CE2 4.48Å; C11-F15 WeakPolarHBondContact O-CD2 3.33Å; C11-F15 WeakPolarHBondContact O-CG 3.44Å; C11-F15 PolarHBondContact O-N 2.98Å; A12-F15 PolarHBondContact O-N 2.98Å; E13-F15 VanDerWaalsContact C-N 3.3Å; E13-F15 PolarHBondContact O-N 2.85Å; F15-A18 PolarHBondContact O-N 3.3Å; F15-A19 VanDerWaalsContact O-CB 3.31Å; F15-A19 WeakPolarHBondContact O-CB 3.45Å; F15-A19 PolarHBondContact O-N 2.89Å; F15-Y31 AromaticContact CD1-CD1 3.77Å; F15-Y31 HydrophobicContact CD1-CD1 3.77Å; F15-Y31 HydrophobicContact CD1-CE1 4.23Å; F15-Y31 HydrophobicContact CE1-CD1 4.41Å; F15-Y31 WeakPolarHBondContact O-CB 3.17Å; F15-Q34 HydrophobicContact CB-CB 4.45Å; F15-Q34 HydrophobicContact CD1-CB 4.01Å; F15-Q34 HydrophobicContact CD2-CB 3.89Å; F15-Q34 HydrophobicContact CE1-CB 4.18Å; F15-Q34 HydrophobicContact CE2-CB 4.09Å; F15-Q34 HydrophobicContact CG-CB 3.86Å; F15-Q34 HydrophobicContact CZ-CB 4.22Å; F15-A35 HydrophobicContact CB-CB 3.79Å; F15-M38 HydrophobicContact CD2-CG 3.91Å; F15-M38 HydrophobicContact CE2-CE 4.2Å; F15-M38 HydrophobicContact CE2-CG 3.84Å
16E91.8Very high89.3Confident37 Ų3778 Ų7817%0.17338%0.384CS..Hα-helixtrans-65.4-38.9172.8-73.2-73.8-170.200112.3A12 E13 A19 R20 H32 A35 R39A12-E16 WeakPolarHBondContact O-CG 3.31Å; A12-E16 PolarHBondContact O-N 3.08Å; E13-E16 WeakPolarHBondContact O-CB 3.3Å; E13-E16 PolarHBondContact O-N 2.93Å; E13-E16 VanDerWaalsContact O-N 3.12Å; E16-A19 WeakPolarHBondContact O-CB 3.3Å; E16-A19 PolarHBondContact O-N 3.18Å; E16-R20 WeakPolarHBondContact O-CG 3.32Å; E16-R20 PolarHBondContact O-N 3.36Å; E16-R20 PolarHBondContact O-NE 2.9Å; E16-H32 IonicContact OE2-CD2 3.36Å; E16-H32 IonicContact OE2-NE2 3.26Å; E16-A35 HydrophobicContact CG-CB 3.84Å; E16-R39 VanDerWaalsContact CG-NH2 3.27Å; E16-R39 IonicContact OE1-CZ 2.85Å; E16-R39 VanDerWaalsContact OE1-CZ 3.26Å; E16-R39 IonicContact OE1-NH1 2.71Å; E16-R39 PolarHBondContact OE1-NH1 3.06Å; E16-R39 IonicContact OE1-NH2 3.95Å; E16-R39 PolarHBondContact OE1-NH2 3.35Å
17E93.3Very high90.4Very high79 Ų7978.3 Ų78.337%0.36938%0.384SS..Hα-helixtrans-64.7-45.6173-74.5-167.8179.200112.1E13 Y14 A19 R20 R21E13-E17 PolarHBondContact O-N 3.12Å; Y14-E17 PolarHBondContact O-N 3.07Å; E17-A19 PolarHBondContact O-N 3.44Å; E17-R20 VanDerWaalsContact CG-NH2 3.27Å; E17-R20 WeakPolarHBondContact O-CB 3.44Å; E17-R20 PolarHBondContact O-N 3.45Å; E17-R20 VanDerWaalsContact O-N 3.15Å; E17-R21 WeakPolarHBondContact O-CG 3.48Å; E17-R21 PolarHBondContact O-N 2.81Å; E17-R21 IonicContact OE2-NH2 2.64Å
18A92.8Very high90.9Very high17 Ų1780.5 Ų80.514%0.1439%0.387CS..Hα-helixtrans-59.9-37.5174.100000111.4Y14 F15 R21 A22 Y31Y14-A18 WeakPolarHBondContact O-CB 3.47Å; Y14-A18 PolarHBondContact O-N 3.29Å; F15-A18 PolarHBondContact O-N 3.3Å; A18-R21 PolarHBondContact O-N 3.5Å; A18-A22 WeakPolarHBondContact O-CB 3.31Å; A18-A22 PolarHBondContact O-N 3.14Å; A18-Y31 HydrophobicContact CB-CD1 3.94Å; A18-Y31 HydrophobicContact CB-CD2 3.99Å; A18-Y31 HydrophobicContact CB-CE1 3.92Å; A18-Y31 HydrophobicContact CB-CE2 3.95Å; A18-Y31 HydrophobicContact CB-CG 3.98Å
19A92.2Very high91.4Very high0 Ų087.3 Ų87.30%041%0.412CS..Hα-helixtrans-65.4-38.6175.800000112.9F15 E16 E17 R21 A22 R28 H32F15-A19 VanDerWaalsContact O-CB 3.31Å; F15-A19 WeakPolarHBondContact O-CB 3.45Å; F15-A19 PolarHBondContact O-N 2.89Å; E16-A19 WeakPolarHBondContact O-CB 3.3Å; E16-A19 PolarHBondContact O-N 3.18Å; E17-A19 PolarHBondContact O-N 3.44Å; A19-R21 VanDerWaalsContact C-N 3.33Å; A19-A22 PolarHBondContact O-N 2.86Å; A19-R28 HydrophobicContact CB-CG 4.4Å; A19-R28 WeakPolarHBondContact O-CG 3.39Å; A19-R28 PolarHBondContact O-NE 3.08Å; A19-H32 VanDerWaalsContact CB-CE1 3.47Å; A19-H32 WeakPolarHBondContact CB-CE1 3.24Å; A19-H32 WeakPolarHBondContact CB-ND1 3.45Å
20R92.1Very high91.9Very high172 Ų17290.5 Ų90.565%0.64942%0.415SS*.Hα-helixtrans-64.8-36.7174.9-76.1-177.9-86.7170-5.8111.8E16 E17E16-R20 WeakPolarHBondContact O-CG 3.32Å; E16-R20 PolarHBondContact O-N 3.36Å; E16-R20 PolarHBondContact O-NE 2.9Å; E17-R20 VanDerWaalsContact CG-NH2 3.27Å; E17-R20 WeakPolarHBondContact O-CB 3.44Å; E17-R20 PolarHBondContact O-N 3.45Å; E17-R20 VanDerWaalsContact O-N 3.15Å
21R92.9Very high92.1Very high196 Ų19688.7 Ų88.774%0.7440%0.404SS*.Hα-helixtrans-85.3-9.7178.9-62.3179-170.4165.610.1114.2E17 A18 A19E17-R21 WeakPolarHBondContact O-CG 3.48Å; E17-R21 PolarHBondContact O-N 2.81Å; E17-R21 IonicContact OE2-NH2 2.64Å; A18-R21 PolarHBondContact O-N 3.5Å; A19-R21 VanDerWaalsContact C-N 3.33Å
22A90.5Very high92.2Very high7 Ų790.3 Ų90.36%0.05841%0.407CS..  trans-65.8132.2-173.900000113.1A18 A19 V27 R28 Y31A18-A22 WeakPolarHBondContact O-CB 3.31Å; A18-A22 PolarHBondContact O-N 3.14Å; A19-A22 PolarHBondContact O-N 2.86Å; A22-V27 HydrophobicContact CB-CB 4.17Å; A22-V27 HydrophobicContact CB-CG1 3.75Å; A22-R28 HydrophobicContact CB-CB 4.11Å; A22-Y31 HydrophobicContact CB-CD2 4.1Å; A22-Y31 HydrophobicContact CB-CE2 4.34Å
23P90.3Very high92.3Very high122 Ų12295.4 Ų95.479%0.79243%0.428SS*.SBendtrans-74.3-30.8-174.127.7-34.5000113.3
24T93.8Very high92.3Very high68 Ų6891.1 Ų91.142%0.41741%0.408SS..SBendtrans-116.3150.9-176.170.50000112.2A26 V27 R28T24-A26 PolarHBondContact O-N 3.29Å; T24-V27 PolarHBondContact O-N 3.31Å; T24-V27 WeakPolarHBondContact OG1-CG2 3.17Å; T24-V27 PolarHBondContact OG1-N 2.77Å; T24-R28 WeakPolarHBondContact O-CB 3.33Å; T24-R28 PolarHBondContact O-N 2.96Å
25R92.6Very high92.2Very high193 Ų19383.7 Ų83.773%0.72838%0.379SS*.Hα-helixtrans-60.9-28.2175.8-170.9179.5178-173.51.5112.8R29R25-R29 WeakPolarHBondContact O-CB 3.36Å; R25-R29 WeakPolarHBondContact O-CG 3.39Å; R25-R29 PolarHBondContact O-N 2.98Å; R25-R29 VanDerWaalsContact O-N 3.12Å; R25-R29 PolarHBondContact O-NE 2.94Å
26A93.2Very high92Very high63 Ų6387.6 Ų87.652%0.52140%0.396SS..Hα-helixtrans-69.3-50.4176.600000111T24 R28 R29 Y30T24-A26 PolarHBondContact O-N 3.29Å; A26-R28 PolarHBondContact O-N 3.03Å; A26-R29 PolarHBondContact O-N 3.43Å; A26-Y30 PolarHBondContact O-N 3.48Å
27V92.9Very high91.9Very high54 Ų5486.4 Ų86.433%0.32739%0.391SS..Hα-helixtrans-64.1-41.1178177.10000111A22 T24 R29 Y30 Y31A22-V27 HydrophobicContact CB-CB 4.17Å; A22-V27 HydrophobicContact CB-CG1 3.75Å; T24-V27 PolarHBondContact O-N 3.31Å; T24-V27 WeakPolarHBondContact OG1-CG2 3.17Å; T24-V27 PolarHBondContact OG1-N 2.77Å; V27-R29 VanDerWaalsContact C-N 3.35Å; V27-R29 PolarHBondContact O-N 2.97Å; V27-Y30 WeakPolarHBondContact O-CB 2.88Å; V27-Y30 PolarHBondContact O-N 3.08Å; V27-Y31 HydrophobicContact CG1-CD2 3.7Å; V27-Y31 HydrophobicContact CG1-CE2 3.34Å; V27-Y31 WeakPolarHBondContact O-CD2 3.31Å; V27-Y31 PolarHBondContact O-N 3.38Å
28R93Very high91.8Very high119 Ų11984.2 Ų84.245%0.44938%0.381SS..Hα-helixtrans-57.2-46.6173.4-175.8177.1-59168.46.4111.9A19 A22 T24 A26 Y30 Y31 H32A19-R28 HydrophobicContact CB-CG 4.4Å; A19-R28 WeakPolarHBondContact O-CG 3.39Å; A19-R28 PolarHBondContact O-NE 3.08Å; A22-R28 HydrophobicContact CB-CB 4.11Å; T24-R28 WeakPolarHBondContact O-CB 3.33Å; T24-R28 PolarHBondContact O-N 2.96Å; A26-R28 PolarHBondContact O-N 3.03Å; R28-Y30 VanDerWaalsContact C-N 3.31Å; R28-Y30 PolarHBondContact O-N 3.23Å; R28-Y31 PolarHBondContact O-N 2.62Å; R28-H32 VanDerWaalsContact CG-CE1 3.43Å; R28-H32 WeakPolarHBondContact CG-CE1 3.23Å; R28-H32 PolarHBondContact O-N 3.48Å; R28-H32 PolarHBondContact O-ND1 3.05Å
29R92Very high91.6Very high157 Ų15789 Ų8959%0.59240%0.396SS*.Hα-helixtrans-62.8-38.4177.6-82.5-175.2-80.8176.5-5.3112.1R25 A26 V27 K33R25-R29 WeakPolarHBondContact O-CB 3.36Å; R25-R29 WeakPolarHBondContact O-CG 3.39Å; R25-R29 PolarHBondContact O-N 2.98Å; R25-R29 VanDerWaalsContact O-N 3.12Å; R25-R29 PolarHBondContact O-NE 2.94Å; A26-R29 PolarHBondContact O-N 3.43Å; V27-R29 VanDerWaalsContact C-N 3.35Å; V27-R29 PolarHBondContact O-N 2.97Å; R29-K33 WeakPolarHBondContact O-CB 3.32Å; R29-K33 PolarHBondContact O-N 3.21Å
30Y92.5Very high91.4Very high129 Ų12989.9 Ų89.951%0.50640%0.402SS..Hα-helixtrans-60.1-52.4175174.7-95.1000111.4A26 V27 R28 H32 K33 Q34A26-Y30 PolarHBondContact O-N 3.48Å; V27-Y30 WeakPolarHBondContact O-CB 2.88Å; V27-Y30 PolarHBondContact O-N 3.08Å; R28-Y30 VanDerWaalsContact C-N 3.31Å; R28-Y30 PolarHBondContact O-N 3.23Å; Y30-H32 PolarHBondContact O-N 3.16Å; Y30-K33 WeakPolarHBondContact O-CA 3.13Å; Y30-K33 VanDerWaalsContact O-CB 3.32Å; Y30-K33 WeakPolarHBondContact O-CB 3.45Å; Y30-K33 PolarHBondContact O-N 3.26Å; Y30-Q34 HydrophobicContact CD1-CG 4.27Å; Y30-Q34 HydrophobicContact CE1-CG 3.81Å; Y30-Q34 HydrophobicContact CE2-CG 4.32Å; Y30-Q34 PolarHBondContact O-N 2.98Å; Y30-Q34 PolarHBondContact OH-NE2 3.14Å
31Y93.5Very high91.2Very high72 Ų7283.1 Ų83.128%0.28238%0.376SS..Hα-helixtrans-63.5-40.2-179.7-73.5-53.1000113.4F15 A18 A22 V27 R28 K33 Q34 A35F15-Y31 AromaticContact CD1-CD1 3.77Å; F15-Y31 HydrophobicContact CD1-CD1 3.77Å; F15-Y31 HydrophobicContact CD1-CE1 4.23Å; F15-Y31 HydrophobicContact CE1-CD1 4.41Å; F15-Y31 WeakPolarHBondContact O-CB 3.17Å; A18-Y31 HydrophobicContact CB-CD1 3.94Å; A18-Y31 HydrophobicContact CB-CD2 3.99Å; A18-Y31 HydrophobicContact CB-CE1 3.92Å; A18-Y31 HydrophobicContact CB-CE2 3.95Å; A18-Y31 HydrophobicContact CB-CG 3.98Å; A22-Y31 HydrophobicContact CB-CD2 4.1Å; A22-Y31 HydrophobicContact CB-CE2 4.34Å; V27-Y31 HydrophobicContact CG1-CD2 3.7Å; V27-Y31 HydrophobicContact CG1-CE2 3.34Å; V27-Y31 WeakPolarHBondContact O-CD2 3.31Å; V27-Y31 PolarHBondContact O-N 3.38Å; R28-Y31 PolarHBondContact O-N 2.62Å; Y31-K33 PolarHBondContact O-N 3.16Å; Y31-Q34 PolarHBondContact O-N 3.44Å; Y31-Q34 VanDerWaalsContact O-N 3.14Å; Y31-A35 PolarHBondContact O-N 3.26Å
32H91.4Very high90.9Very high81 Ų8174.5 Ų74.538%0.37535%0.348SS..Hα-helixtrans-60.6-36.1172.4-75.882.8000112E16 A19 R28 Y30 K36E16-H32 IonicContact OE2-CD2 3.36Å; E16-H32 IonicContact OE2-NE2 3.26Å; A19-H32 VanDerWaalsContact CB-CE1 3.47Å; A19-H32 WeakPolarHBondContact CB-CE1 3.24Å; A19-H32 WeakPolarHBondContact CB-ND1 3.45Å; R28-H32 VanDerWaalsContact CG-CE1 3.43Å; R28-H32 WeakPolarHBondContact CG-CE1 3.23Å; R28-H32 PolarHBondContact O-N 3.48Å; R28-H32 PolarHBondContact O-ND1 3.05Å; Y30-H32 PolarHBondContact O-N 3.16Å; H32-K36 VanDerWaalsContact O-CB 3.31Å; H32-K36 WeakPolarHBondContact O-CB 3.34Å; H32-K36 PolarHBondContact O-N 3.12Å
33K89.7Confident90.7Very high110 Ų11080.1 Ų80.148%0.47837%0.374SS..Hα-helixtrans-66.1-40.5176-170.6-178176.9-170.90111R29 Y30 Y31 K36 L37 L275R29-K33 WeakPolarHBondContact O-CB 3.32Å; R29-K33 PolarHBondContact O-N 3.21Å; Y30-K33 WeakPolarHBondContact O-CA 3.13Å; Y30-K33 VanDerWaalsContact O-CB 3.32Å; Y30-K33 WeakPolarHBondContact O-CB 3.45Å; Y30-K33 PolarHBondContact O-N 3.26Å; Y31-K33 PolarHBondContact O-N 3.16Å; K33-K36 PolarHBondContact O-N 3.38Å; K33-L37 WeakPolarHBondContact O-CB 3.17Å; K33-L37 PolarHBondContact O-N 3.2Å; K33-L275 HydrophobicContact CG-CD2 4.15Å
34Q91.4Very high90.5Very high39 Ų3974.8 Ų74.818%0.18234%0.338CS..Hα-helixtrans-67.5-45.3175.7-63-57.9-13.500112.2F15 Y30 Y31 K36 L37 M38F15-Q34 HydrophobicContact CB-CB 4.45Å; F15-Q34 HydrophobicContact CD1-CB 4.01Å; F15-Q34 HydrophobicContact CD2-CB 3.89Å; F15-Q34 HydrophobicContact CE1-CB 4.18Å; F15-Q34 HydrophobicContact CE2-CB 4.09Å; F15-Q34 HydrophobicContact CG-CB 3.86Å; F15-Q34 HydrophobicContact CZ-CB 4.22Å; Y30-Q34 HydrophobicContact CD1-CG 4.27Å; Y30-Q34 HydrophobicContact CE1-CG 3.81Å; Y30-Q34 HydrophobicContact CE2-CG 4.32Å; Y30-Q34 PolarHBondContact O-N 2.98Å; Y30-Q34 PolarHBondContact OH-NE2 3.14Å; Y31-Q34 PolarHBondContact O-N 3.44Å; Y31-Q34 VanDerWaalsContact O-N 3.14Å; Q34-K36 VanDerWaalsContact C-N 3.3Å; Q34-K36 PolarHBondContact O-N 3.3Å; Q34-L37 WeakPolarHBondContact O-CB 3.28Å; Q34-L37 PolarHBondContact O-N 2.85Å; Q34-L37 VanDerWaalsContact O-N 3.09Å; Q34-M38 WeakPolarHBondContact O-CG 3.45Å; Q34-M38 PolarHBondContact O-N 3.23Å
35A90.8Very high90.2Very high0 Ų073 Ų730%033%0.325CS..Hα-helixtrans-57.3-44.4174.400000111.8F15 E16 Y31 L37 M38 R39F15-A35 HydrophobicContact CB-CB 3.79Å; E16-A35 HydrophobicContact CG-CB 3.84Å; Y31-A35 PolarHBondContact O-N 3.26Å; A35-L37 VanDerWaalsContact C-N 3.34Å; A35-L37 PolarHBondContact O-N 3.02Å; A35-M38 PolarHBondContact O-N 3.47Å; A35-R39 WeakPolarHBondContact O-CG 3.39Å; A35-R39 PolarHBondContact O-N 3.12Å
36K90.3Very high89.8Confident124 Ų12467.9 Ų67.954%0.53931%0.312SS..Hα-helixtrans-61.6-42.3175.4-176.8176.5179.2179.50112H32 K33 Q34 R39 S40H32-K36 VanDerWaalsContact O-CB 3.31Å; H32-K36 WeakPolarHBondContact O-CB 3.34Å; H32-K36 PolarHBondContact O-N 3.12Å; K33-K36 PolarHBondContact O-N 3.38Å; Q34-K36 VanDerWaalsContact C-N 3.3Å; Q34-K36 PolarHBondContact O-N 3.3Å; K36-R39 PolarHBondContact O-N 3.29Å; K36-S40 PolarHBondContact O-N 3.49Å; K36-S40 PolarHBondContact O-OG 3.29Å
37L89.8Confident89.2Confident12 Ų1267 Ų676%0.06330%0.302CS..Hα-helixtrans-61.5-47.1178.2-177.959.7000111.1K33 Q34 A35 R39 S40 Y41 L275 Q279K33-L37 WeakPolarHBondContact O-CB 3.17Å; K33-L37 PolarHBondContact O-N 3.2Å; Q34-L37 WeakPolarHBondContact O-CB 3.28Å; Q34-L37 PolarHBondContact O-N 2.85Å; Q34-L37 VanDerWaalsContact O-N 3.09Å; A35-L37 VanDerWaalsContact C-N 3.34Å; A35-L37 PolarHBondContact O-N 3.02Å; L37-R39 PolarHBondContact O-N 3.47Å; L37-S40 WeakPolarHBondContact O-CB 3.43Å; L37-S40 PolarHBondContact O-N 3.09Å; L37-S40 VanDerWaalsContact O-N 3.07Å; L37-Y41 HydrophobicContact CD1-CD1 4.27Å; L37-Y41 HydrophobicContact CD1-CE1 3.43Å; L37-Y41 VanDerWaalsContact CD1-CE1 3.43Å; L37-Y41 HydrophobicContact CD1-CE2 4.44Å; L37-Y41 HydrophobicContact CD2-CE2 4.43Å; L37-Y41 WeakPolarHBondContact CD2-OH 3.43Å; L37-Y41 HydrophobicContact CG-CE1 3.84Å; L37-Y41 HydrophobicContact CG-CE2 3.93Å; L37-Y41 VanDerWaalsContact CG-CZ 3.49Å; L37-Y41 WeakPolarHBondContact CG-OH 3.34Å; L37-Y41 PolarHBondContact O-N 2.88Å; L37-L275 HydrophobicContact CB-CD2 4.14Å; L37-L275 HydrophobicContact CD1-CD2 3.91Å; L37-L275 HydrophobicContact CD2-CD2 4.5Å; L37-L275 HydrophobicContact CG-CD2 4.41Å; L37-Q279 HydrophobicContact CD1-CG 4.29Å
38M90.2Very high88.7Confident34 Ų3465 Ų6517%0.16729%0.289CS..Hα-helixtrans-60.8-43.1177.3-66.2-61.314400112.6C11 A12 F15 Q34 A35 S40 Y41 G42C11-M38 HydrophobicContact CB-CG 4.27Å; C11-M38 HydrophobicContact CB-SD 4.34Å; A12-M38 HydrophobicContact CB-CB 3.76Å; F15-M38 HydrophobicContact CD2-CG 3.91Å; F15-M38 HydrophobicContact CE2-CE 4.2Å; F15-M38 HydrophobicContact CE2-CG 3.84Å; Q34-M38 WeakPolarHBondContact O-CG 3.45Å; Q34-M38 PolarHBondContact O-N 3.23Å; A35-M38 PolarHBondContact O-N 3.47Å; M38-S40 VanDerWaalsContact C-N 3.29Å; M38-S40 PolarHBondContact O-N 3.33Å; M38-Y41 HydrophobicContact CE-CD2 4.27Å; M38-Y41 HydrophobicContact CE-CE2 3.85Å; M38-Y41 WeakPolarHBondContact O-CB 3.49Å; M38-Y41 PolarHBondContact O-N 3.48Å; M38-Y41 HydrophobicContact SD-CD2 3.88Å; M38-Y41 HydrophobicContact SD-CE2 4.09Å; M38-G42 PolarHBondContact O-N 2.96Å; M38-G42 VanDerWaalsContact O-N 3.16Å
39R88.7Confident88.2Confident117 Ų11760.7 Ų60.744%0.44228%0.276SS..Hα-helixtrans-60.3-40.3172.8-70.6-177.8-173.5127.5-1.2112.3A12 E16 A35 K36 L37 Y41 G42 E43A12-R39 HydrophobicContact CB-CG 3.9Å; E16-R39 VanDerWaalsContact CG-NH2 3.27Å; E16-R39 IonicContact OE1-CZ 2.85Å; E16-R39 VanDerWaalsContact OE1-CZ 3.26Å; E16-R39 IonicContact OE1-NH1 2.71Å; E16-R39 PolarHBondContact OE1-NH1 3.06Å; E16-R39 IonicContact OE1-NH2 3.95Å; E16-R39 PolarHBondContact OE1-NH2 3.35Å; A35-R39 WeakPolarHBondContact O-CG 3.39Å; A35-R39 PolarHBondContact O-N 3.12Å; K36-R39 PolarHBondContact O-N 3.29Å; L37-R39 PolarHBondContact O-N 3.47Å; R39-Y41 VanDerWaalsContact C-N 3.33Å; R39-Y41 PolarHBondContact O-N 2.89Å; R39-G42 PolarHBondContact O-N 3.23Å; R39-E43 WeakPolarHBondContact O-CG 3.41Å; R39-E43 PolarHBondContact O-N 3.43Å
40S87.5Confident87.6Confident18 Ų1857.7 Ų57.713%0.12627%0.269CS..Hα-helixtrans-67.4-35.7-179.7-44.40000111.2K36 L37 M38 G42 E43 D44K36-S40 PolarHBondContact O-N 3.49Å; K36-S40 PolarHBondContact O-OG 3.29Å; L37-S40 WeakPolarHBondContact O-CB 3.43Å; L37-S40 PolarHBondContact O-N 3.09Å; L37-S40 VanDerWaalsContact O-N 3.07Å; M38-S40 VanDerWaalsContact C-N 3.29Å; M38-S40 PolarHBondContact O-N 3.33Å; S40-G42 VanDerWaalsContact C-N 3.35Å; S40-G42 PolarHBondContact O-N 3.42Å; S40-E43 PolarHBondContact O-N 3.11Å; S40-D44 WeakPolarHBondContact O-CB 3.49Å; S40-D44 PolarHBondContact O-N 2.69Å
41Y89.1Confident86.7Confident30 Ų3052.9 Ų52.912%0.11825%0.251CS..Hα-helixtrans-59.7-43.8170.6-62.3-23000112.3L37 M38 R39 D44 K45 S278 Q279 K282L37-Y41 HydrophobicContact CD1-CD1 4.27Å; L37-Y41 HydrophobicContact CD1-CE1 3.43Å; L37-Y41 VanDerWaalsContact CD1-CE1 3.43Å; L37-Y41 HydrophobicContact CD1-CE2 4.44Å; L37-Y41 HydrophobicContact CD2-CE2 4.43Å; L37-Y41 WeakPolarHBondContact CD2-OH 3.43Å; L37-Y41 HydrophobicContact CG-CE1 3.84Å; L37-Y41 HydrophobicContact CG-CE2 3.93Å; L37-Y41 VanDerWaalsContact CG-CZ 3.49Å; L37-Y41 WeakPolarHBondContact CG-OH 3.34Å; L37-Y41 PolarHBondContact O-N 2.88Å; M38-Y41 HydrophobicContact CE-CD2 4.27Å; M38-Y41 HydrophobicContact CE-CE2 3.85Å; M38-Y41 WeakPolarHBondContact O-CB 3.49Å; M38-Y41 PolarHBondContact O-N 3.48Å; M38-Y41 HydrophobicContact SD-CD2 3.88Å; M38-Y41 HydrophobicContact SD-CE2 4.09Å; R39-Y41 VanDerWaalsContact C-N 3.33Å; R39-Y41 PolarHBondContact O-N 2.89Å; Y41-D44 PolarHBondContact O-N 2.75Å; Y41-K45 VanDerWaalsContact O-CB 3.26Å; Y41-K45 WeakPolarHBondContact O-CB 3.15Å; Y41-K45 PolarHBondContact O-N 3.19Å; Y41-S278 WeakPolarHBondContact OH-CB 3.13Å; Y41-S278 PolarHBondContact OH-O 3.06Å; Y41-Q279 HydrophobicContact CD1-CB 4.2Å; Y41-Q279 HydrophobicContact CD1-CG 3.52Å; Y41-Q279 VanDerWaalsContact CE1-CA 3.41Å; Y41-Q279 HydrophobicContact CE1-CB 4.07Å; Y41-Q279 HydrophobicContact CE1-CG 3.54Å; Y41-K282 HydrophobicContact CD1-CB 4.31Å; Y41-K282 HydrophobicContact CD1-CG 4.34Å; Y41-K282 HydrophobicContact CD2-CG 4.12Å; Y41-K282 HydrophobicContact CE1-CB 3.99Å; Y41-K282 HydrophobicContact CE1-CG 4.38Å; Y41-K282 HydrophobicContact CE2-CB 4.34Å; Y41-K282 HydrophobicContact CE2-CG 4.08Å; Y41-K282 HydrophobicContact CG-CG 4.25Å
42G86.2Confident85.9Confident15 Ų1552.5 Ų52.516%0.15525%0.251CS..Hα-helixtrans-60.3-47.6174.900000112.5M38 R39 S40 D44 K45 D46M38-G42 PolarHBondContact O-N 2.96Å; M38-G42 VanDerWaalsContact O-N 3.16Å; R39-G42 PolarHBondContact O-N 3.23Å; S40-G42 VanDerWaalsContact C-N 3.35Å; S40-G42 PolarHBondContact O-N 3.42Å; G42-D44 PolarHBondContact O-N 3.25Å; G42-K45 PolarHBondContact O-N 3.2Å; G42-D46 WeakPolarHBondContact O-CB 3.34Å; G42-D46 VanDerWaalsContact O-CG 3.3Å; G42-D46 PolarHBondContact O-N 3.42Å
43E86Confident85Confident126 Ų12653.7 Ų53.759%0.58926%0.257SS*.Hα-helixtrans-60.1-43.3177.7-71.2176-168.600112.4R39 S40 S47R39-E43 WeakPolarHBondContact O-CG 3.41Å; R39-E43 PolarHBondContact O-N 3.43Å; S40-E43 PolarHBondContact O-N 3.11Å; E43-S47 WeakPolarHBondContact O-CB 3.15Å; E43-S47 PolarHBondContact O-N 3.22Å; E43-S47 PolarHBondContact O-OG 3.21Å
44D86.8Confident84Confident9 Ų950.2 Ų50.25%0.04824%0.243CC..Hα-helixtrans-66.8-42.4178.4-78.5-8.6000111.5S40 Y41 G42 S47 I48 Q279 I283 L337 Y339S40-D44 WeakPolarHBondContact O-CB 3.49Å; S40-D44 PolarHBondContact O-N 2.69Å; Y41-D44 PolarHBondContact O-N 2.75Å; G42-D44 PolarHBondContact O-N 3.25Å; D44-S47 WeakPolarHBondContact O-CB 3.15Å; D44-S47 PolarHBondContact O-N 2.71Å; D44-I48 WeakPolarHBondContact O-CG1 3.32Å; D44-I48 PolarHBondContact O-N 3.33Å; D44-Q279 WeakPolarHBondContact OD2-CB 3.4Å; D44-Q279 WeakPolarHBondContact OD2-CG 3.29Å; D44-Q279 PolarHBondContact OD2-OE1 2.73Å; D44-I283 HydrophobicContact CB-CD1 4.46Å; D44-L337 HydrophobicContact CB-CD2 3.72Å; D44-Y339 WeakPolarHBondContact OD1-CE1 3.41Å; D44-Y339 PolarHBondContact OD2-OH 3.47Å
45K85.7Confident82.9Confident32 Ų3252.7 Ų52.714%0.13925%0.252CS..Hα-helixtrans-68.1-40.3178.4-175166.3165.7-140.60112.3M1 S4 N5 Y41 G42 S47 I48 V49M1-K45 PolarHBondContact O-NZ 3.37Å; S4-K45 PolarHBondContact OG-NZ 3.47Å; N5-K45 WeakPolarHBondContact OD1-CD 3.48Å; N5-K45 WeakPolarHBondContact OD1-CE 3.42Å; N5-K45 PolarHBondContact OD1-NZ 3.16Å; Y41-K45 VanDerWaalsContact O-CB 3.26Å; Y41-K45 WeakPolarHBondContact O-CB 3.15Å; Y41-K45 PolarHBondContact O-N 3.19Å; G42-K45 PolarHBondContact O-N 3.2Å; K45-S47 VanDerWaalsContact C-N 3.25Å; K45-S47 PolarHBondContact O-N 3.37Å; K45-I48 PolarHBondContact O-N 3.38Å; K45-V49 HydrophobicContact CG-CG2 4.48Å; K45-V49 WeakPolarHBondContact O-CG2 3.35Å; K45-V49 PolarHBondContact O-N 3.1Å
46D84.5Confident81.7Confident85 Ų8560.5 Ų60.546%0.45529%0.288SS..Hα-helixtrans-60.8-38.9172.2-75.3-15.7000111N5 G42 V49 H50N5-D46 PolarHBondContact ND2-OD1 3.42Å; G42-D46 WeakPolarHBondContact O-CB 3.34Å; G42-D46 VanDerWaalsContact O-CG 3.3Å; G42-D46 PolarHBondContact O-N 3.42Å; D46-V49 PolarHBondContact O-N 2.99Å; D46-H50 WeakPolarHBondContact O-CB 3.49Å; D46-H50 PolarHBondContact O-N 3.1Å
47S81.5Confident80.2Confident45 Ų4562 Ų6232%0.31530%0.295SS..Hα-helixtrans-62.6-43.5175.2-58.50000112E43 D44 K45 F51E43-S47 WeakPolarHBondContact O-CB 3.15Å; E43-S47 PolarHBondContact O-N 3.22Å; E43-S47 PolarHBondContact O-OG 3.21Å; D44-S47 WeakPolarHBondContact O-CB 3.15Å; D44-S47 PolarHBondContact O-N 2.71Å; K45-S47 VanDerWaalsContact C-N 3.25Å; K45-S47 PolarHBondContact O-N 3.37Å; S47-F51 WeakPolarHBondContact O-CB 3.02Å; S47-F51 PolarHBondContact O-N 2.99Å
48I82.6Confident78.8Confident11 Ų1166 Ų666%0.05631%0.313CS..Hα-helixtrans-65.3-48.5176.8-66.9164.4000111D44 K45 H50 F51 E52 I283 K333 L337D44-I48 WeakPolarHBondContact O-CG1 3.32Å; D44-I48 PolarHBondContact O-N 3.33Å; K45-I48 PolarHBondContact O-N 3.38Å; I48-H50 PolarHBondContact O-N 2.75Å; I48-F51 WeakPolarHBondContact O-CA 3.33Å; I48-F51 WeakPolarHBondContact O-CB 3.45Å; I48-F51 PolarHBondContact O-N 2.79Å; I48-F51 VanDerWaalsContact O-N 3.12Å; I48-E52 HydrophobicContact CG2-CG 4.38Å; I48-E52 WeakPolarHBondContact O-CG 3.31Å; I48-E52 PolarHBondContact O-N 2.88Å; I48-I283 HydrophobicContact CD1-CD1 3.93Å; I48-I283 HydrophobicContact CD1-CG1 4.17Å; I48-I283 HydrophobicContact CD1-CG2 4.24Å; I48-K333 HydrophobicContact CD1-CB 4.38Å; I48-K333 HydrophobicContact CG2-CB 4.4Å; I48-K333 HydrophobicContact CG2-CD 4.26Å; I48-K333 HydrophobicContact CG2-CG 3.97Å; I48-L337 HydrophobicContact CD1-CD2 4.21Å; I48-L337 HydrophobicContact CG1-CD2 4.26Å
49V82.2Confident77.4Confident29 Ų2965.7 Ų65.718%0.17632%0.318CS..Hα-helixtrans-64.3-43.9-178.9171.40000111.4M1 K45 D46 F51 E52 Q53M1-V49 HydrophobicContact CE-CG2 4.41Å; M1-V49 HydrophobicContact SD-CG2 3.93Å; K45-V49 HydrophobicContact CG-CG2 4.48Å; K45-V49 WeakPolarHBondContact O-CG2 3.35Å; K45-V49 PolarHBondContact O-N 3.1Å; D46-V49 PolarHBondContact O-N 2.99Å; V49-F51 PolarHBondContact O-N 2.91Å; V49-E52 PolarHBondContact O-N 2.85Å; V49-Q53 HydrophobicContact CG1-CG 4.39Å; V49-Q53 WeakPolarHBondContact O-CB 3.36Å; V49-Q53 VanDerWaalsContact O-CG 3.31Å; V49-Q53 WeakPolarHBondContact O-CG 3.27Å; V49-Q53 PolarHBondContact O-N 2.91Å
50H78.9Confident76.2Confident93 Ų9364.5 Ų64.543%0.43132%0.318SS..Hα-helixtrans-60.3-36.4175.3-178.8-98.1000111D46 I48 N54D46-H50 WeakPolarHBondContact O-CB 3.49Å; D46-H50 PolarHBondContact O-N 3.1Å; I48-H50 PolarHBondContact O-N 2.75Å; H50-N54 PolarHBondContact CE1-ND2 3.17Å; H50-N54 PolarHBondContact ND1-ND2 2.9Å; H50-N54 VanDerWaalsContact ND1-ND2 3.18Å; H50-N54 PolarHBondContact NE2-ND2 3.32Å; H50-N54 VanDerWaalsContact NE2-ND2 3.14Å; H50-N54 VanDerWaalsContact O-CB 3.31Å; H50-N54 WeakPolarHBondContact O-CB 3.49Å; H50-N54 VanDerWaalsContact O-CG 3.28Å; H50-N54 PolarHBondContact O-N 3.36Å; H50-N54 VanDerWaalsContact O-N 3.12Å; H50-N54 PolarHBondContact O-ND2 3.25Å
51F73.4Confident74.9Confident29 Ų2968 Ų6813%0.12734%0.339CS..Hα-helixtrans-67.4-52.2173.4174.6-93.5000112.2S47 I48 V49 Q53 N54 Y55 H336S47-F51 WeakPolarHBondContact O-CB 3.02Å; S47-F51 PolarHBondContact O-N 2.99Å; I48-F51 WeakPolarHBondContact O-CA 3.33Å; I48-F51 WeakPolarHBondContact O-CB 3.45Å; I48-F51 PolarHBondContact O-N 2.79Å; I48-F51 VanDerWaalsContact O-N 3.12Å; V49-F51 PolarHBondContact O-N 2.91Å; F51-Q53 VanDerWaalsContact C-N 3.27Å; F51-Q53 PolarHBondContact O-N 3.46Å; F51-N54 PolarHBondContact O-N 3.29Å; F51-N54 VanDerWaalsContact O-N 3.07Å; F51-Y55 HydrophobicContact CE1-CD2 4.01Å; F51-Y55 HydrophobicContact CE1-CG 4.1Å; F51-Y55 AromaticContact CE2-CD2 4Å; F51-Y55 HydrophobicContact CE2-CD2 4Å; F51-Y55 AromaticContact CZ-CD2 3.29Å; F51-Y55 HydrophobicContact CZ-CD2 3.29Å; F51-Y55 HydrophobicContact CZ-CE2 4.08Å; F51-Y55 AromaticContact CZ-CG 3.8Å; F51-Y55 HydrophobicContact CZ-CG 3.8Å; F51-Y55 WeakPolarHBondContact O-CB 3.23Å; F51-Y55 PolarHBondContact O-N 3.02Å; F51-H336 HydrophobicContact CB-CB 4.3Å; F51-H336 HydrophobicContact CD1-CB 4.18Å; F51-H336 AromaticContact CD1-CD2 3.66Å; F51-H336 AromaticContact CD1-CE1 3.76Å; F51-H336 AromaticContact CD1-CG 3.42Å; F51-H336 VanDerWaalsContact CD1-CG 3.42Å; F51-H336 AromaticContact CD1-ND1 3.45Å; F51-H336 WeakPolarHBondContact CD1-ND1 3.31Å; F51-H336 AromaticContact CD1-NE2 3.9Å; F51-H336 AromaticContact CD2-CD2 3.28Å; F51-H336 WeakPolarHBondContact CD2-CD2 3.43Å; F51-H336 AromaticContact CD2-CG 3.8Å; F51-H336 AromaticContact CD2-NE2 3.8Å; F51-H336 AromaticContact CE1-CD2 3.58Å; F51-H336 AromaticContact CE1-CE1 3.13Å; F51-H336 WeakPolarHBondContact CE1-CE1 3.39Å; F51-H336 AromaticContact CE1-CG 3.64Å; F51-H336 AromaticContact CE1-ND1 3.32Å; F51-H336 VanDerWaalsContact CE1-ND1 3.32Å; F51-H336 WeakPolarHBondContact CE1-ND1 3.44Å; F51-H336 AromaticContact CE1-NE2 3.31Å; F51-H336 VanDerWaalsContact CE1-NE2 3.31Å; F51-H336 WeakPolarHBondContact CE1-NE2 3.37Å; F51-H336 AromaticContact CE2-CD2 3.17Å; F51-H336 WeakPolarHBondContact CE2-CD2 3.46Å; F51-H336 AromaticContact CE2-CE1 3.93Å; F51-H336 AromaticContact CE2-CG 3.98Å; F51-H336 AromaticContact CE2-NE2 3.17Å; F51-H336 WeakPolarHBondContact CE2-NE2 3.49Å; F51-H336 HydrophobicContact CG-CB 4.03Å; F51-H336 AromaticContact CG-CD2 3.52Å; F51-H336 AromaticContact CG-CG 3.52Å; F51-H336 AromaticContact CZ-CD2 3.34Å; F51-H336 WeakPolarHBondContact CZ-CD2 3.34Å; F51-H336 AromaticContact CZ-CE1 3.23Å; F51-H336 WeakPolarHBondContact CZ-CE1 3.45Å; F51-H336 AromaticContact CZ-CG 3.9Å; F51-H336 AromaticContact CZ-ND1 3.8Å; F51-H336 AromaticContact CZ-NE2 2.88Å; F51-H336 WeakPolarHBondContact CZ-NE2 3.4Å
52E76.8Confident73.5Confident64 Ų6470.8 Ų70.830%0.29935%0.353SS..Hα-helixtrans-54.5-45.4-179.4-72.8175.4165.300110.7I48 V49 N54 Y55 E56 K333I48-E52 HydrophobicContact CG2-CG 4.38Å; I48-E52 WeakPolarHBondContact O-CG 3.31Å; I48-E52 PolarHBondContact O-N 2.88Å; V49-E52 PolarHBondContact O-N 2.85Å; E52-N54 PolarHBondContact O-N 3.33Å; E52-Y55 PolarHBondContact O-N 2.98Å; E52-E56 WeakPolarHBondContact O-CG 3.46Å; E52-E56 PolarHBondContact O-N 2.69Å; E52-E56 VanDerWaalsContact O-N 3.16Å; E52-K333 WeakPolarHBondContact OE1-CE 3.32Å
53Q73.9Confident72Confident106 Ų10671.3 Ų71.350%0.49535%0.354SS..Hα-helixtrans-65-38.6177-70.4178.4-4.800113.8V49 F51 K57V49-Q53 HydrophobicContact CG1-CG 4.39Å; V49-Q53 WeakPolarHBondContact O-CB 3.36Å; V49-Q53 VanDerWaalsContact O-CG 3.31Å; V49-Q53 WeakPolarHBondContact O-CG 3.27Å; V49-Q53 PolarHBondContact O-N 2.91Å; F51-Q53 VanDerWaalsContact C-N 3.27Å; F51-Q53 PolarHBondContact O-N 3.46Å; Q53-K57 WeakPolarHBondContact O-CB 3.46Å; Q53-K57 WeakPolarHBondContact O-CG 3.47Å; Q53-K57 PolarHBondContact O-N 3.36Å
54N68.6Low70.9Confident36 Ų3672.6 Ų72.619%0.19335%0.354CS..Hα-helixtrans-78.4-33.7179.6-77.2-36.8000112.5H50 F51 E52 E56 K57 H58H50-N54 PolarHBondContact CE1-ND2 3.17Å; H50-N54 PolarHBondContact ND1-ND2 2.9Å; H50-N54 VanDerWaalsContact ND1-ND2 3.18Å; H50-N54 PolarHBondContact NE2-ND2 3.32Å; H50-N54 VanDerWaalsContact NE2-ND2 3.14Å; H50-N54 VanDerWaalsContact O-CB 3.31Å; H50-N54 WeakPolarHBondContact O-CB 3.49Å; H50-N54 VanDerWaalsContact O-CG 3.28Å; H50-N54 PolarHBondContact O-N 3.36Å; H50-N54 VanDerWaalsContact O-N 3.12Å; H50-N54 PolarHBondContact O-ND2 3.25Å; F51-N54 PolarHBondContact O-N 3.29Å; F51-N54 VanDerWaalsContact O-N 3.07Å; E52-N54 PolarHBondContact O-N 3.33Å; N54-E56 VanDerWaalsContact C-N 3.33Å; N54-K57 PolarHBondContact O-N 3.09Å; N54-H58 PolarHBondContact O-N 3.05Å
55Y66.7Low69.7Low91 Ų9178 Ų7836%0.35738%0.377SS..Hα-helixtrans-61.4-45.7175.2-170.9-92.6000110.4F51 E52 K57 G59 E60F51-Y55 HydrophobicContact CE1-CD2 4.01Å; F51-Y55 HydrophobicContact CE1-CG 4.1Å; F51-Y55 AromaticContact CE2-CD2 4Å; F51-Y55 HydrophobicContact CE2-CD2 4Å; F51-Y55 AromaticContact CZ-CD2 3.29Å; F51-Y55 HydrophobicContact CZ-CD2 3.29Å; F51-Y55 HydrophobicContact CZ-CE2 4.08Å; F51-Y55 AromaticContact CZ-CG 3.8Å; F51-Y55 HydrophobicContact CZ-CG 3.8Å; F51-Y55 WeakPolarHBondContact O-CB 3.23Å; F51-Y55 PolarHBondContact O-N 3.02Å; E52-Y55 PolarHBondContact O-N 2.98Å; Y55-K57 VanDerWaalsContact C-N 3.35Å; Y55-K57 PolarHBondContact O-N 3.36Å; Y55-G59 WeakPolarHBondContact O-CA 3.49Å; Y55-G59 PolarHBondContact O-N 3.17Å; Y55-G59 VanDerWaalsContact O-N 3.1Å; Y55-E60 HydrophobicContact CD2-CG 4.09Å; Y55-E60 HydrophobicContact CE2-CG 3.49Å; Y55-E60 VanDerWaalsContact CE2-CG 3.49Å
56E65.5Low68.4Low164 Ų16482 Ų8277%0.76640%0.396SS*.Hα-helixtrans-62.5-38.6175.1-73.1-179.5172.600112.9E52 N54E52-E56 WeakPolarHBondContact O-CG 3.46Å; E52-E56 PolarHBondContact O-N 2.69Å; E52-E56 VanDerWaalsContact O-N 3.16Å; N54-E56 VanDerWaalsContact C-N 3.33Å
57K60.3Low67.4Low156 Ų15682.4 Ų82.468%0.67840%0.398SS*.Hα-helixtrans-87.4-36.3-174.1-72.2-178.2178.3179.70115.3Q53 N54 Y55Q53-K57 WeakPolarHBondContact O-CB 3.46Å; Q53-K57 WeakPolarHBondContact O-CG 3.47Å; Q53-K57 PolarHBondContact O-N 3.36Å; N54-K57 PolarHBondContact O-N 3.09Å; Y55-K57 VanDerWaalsContact C-N 3.35Å; Y55-K57 PolarHBondContact O-N 3.36Å
58H60.2Low66.7Low96 Ų9684.7 Ų84.744%0.44440%0.404SS..Hα-helixtrans-130.9-2.3-167.7-62.875.2000113.6N54 E62N54-H58 PolarHBondContact O-N 3.05Å; H58-E62 HydrophobicContact CB-CB 4.18Å; H58-E62 HydrophobicContact CB-CG 3.94Å; H58-E62 IonicContact CD2-OE1 3.08Å; H58-E62 IonicContact CD2-OE2 3.72Å; H58-E62 PolarHBondContact CD2-OE2 2.98Å; H58-E62 IonicContact CG-OE2 2.99Å; H58-E62 VanDerWaalsContact CG-OE2 3.27Å; H58-E62 IonicContact NE2-OE2 3.58Å
59G61Low65.7Low27 Ų2786.8 Ų86.828%0.27842%0.42SS..  trans63.7-177.2-173.600000113.5Y55 T61Y55-G59 WeakPolarHBondContact O-CA 3.49Å; Y55-G59 PolarHBondContact O-N 3.17Å; Y55-G59 VanDerWaalsContact O-N 3.1Å; G59-T61 PolarHBondContact O-N 3.47Å
60E62Low64.8Low93 Ų9390.9 Ų90.944%0.43544%0.44SS..Hα-helixtrans-58.3-19.1-174.1-70-172176.700115.7Y55 R64Y55-E60 HydrophobicContact CD2-CG 4.09Å; Y55-E60 HydrophobicContact CE2-CG 3.49Å; Y55-E60 VanDerWaalsContact CE2-CG 3.49Å; E60-R64 WeakPolarHBondContact O-CG 3.45Å; E60-R64 IonicContact OE2-CZ 3.82Å; E60-R64 IonicContact OE2-NH1 3.97Å; E60-R64 IonicContact OE2-NH2 3.66Å; E60-R64 PolarHBondContact OE2-NH2 3.42Å
61T60.5Low64.3Low92 Ų9293.3 Ų93.356%0.56445%0.449SS*.Hα-helixtrans-73.5-36.9-164-54.30000112.8G59 K65G59-T61 PolarHBondContact O-N 3.47Å; T61-K65 WeakPolarHBondContact O-CG 3.4Å; T61-K65 PolarHBondContact O-N 2.97Å
62E59.9Low64.2Low87 Ų8798 Ų9841%0.40747%0.469SS..Hα-helixtrans-77.4-41.9-176.4-70.9-155.9156.100113.7H58 R64 K65 Q66H58-E62 HydrophobicContact CB-CB 4.18Å; H58-E62 HydrophobicContact CB-CG 3.94Å; H58-E62 IonicContact CD2-OE1 3.08Å; H58-E62 IonicContact CD2-OE2 3.72Å; H58-E62 PolarHBondContact CD2-OE2 2.98Å; H58-E62 IonicContact CG-OE2 2.99Å; H58-E62 VanDerWaalsContact CG-OE2 3.27Å; H58-E62 IonicContact NE2-OE2 3.58Å; E62-R64 PolarHBondContact O-N 3.47Å; E62-K65 WeakPolarHBondContact O-CB 3.38Å; E62-K65 PolarHBondContact O-N 3.22Å; E62-Q66 PolarHBondContact O-N 2.95Å
63S55.8Low63.9Low27 Ų2796.4 Ų96.419%0.18947%0.465CS..Hα-helixtrans-58-36.3175.5-56.20000111.7Q66 N67S63-Q66 PolarHBondContact O-N 3.46Å; S63-N67 PolarHBondContact O-N 3.26Å
64R62.4Low63.8Low153 Ų15391.9 Ų91.958%0.57745%0.447SS*.Hα-helixtrans-64.4-38.7173.4-73.8-178.5177.4160.512.1112.4E60 E62 Q66 E68E60-R64 WeakPolarHBondContact O-CG 3.45Å; E60-R64 IonicContact OE2-CZ 3.82Å; E60-R64 IonicContact OE2-NH1 3.97Å; E60-R64 IonicContact OE2-NH2 3.66Å; E60-R64 PolarHBondContact OE2-NH2 3.42Å; E62-R64 PolarHBondContact O-N 3.47Å; R64-Q66 PolarHBondContact O-N 2.77Å; R64-E68 WeakPolarHBondContact O-CG 3.4Å; R64-E68 PolarHBondContact O-N 3.01Å; R64-E68 VanDerWaalsContact O-N 3.08Å
65K60.6Low64.1Low123 Ų12392.5 Ų92.554%0.53545%0.452SS..Hα-helixtrans-64-38.8178.7-70.5174-177.3171.80112.3T61 E62 E68 S69T61-K65 WeakPolarHBondContact O-CG 3.4Å; T61-K65 PolarHBondContact O-N 2.97Å; E62-K65 WeakPolarHBondContact O-CB 3.38Å; E62-K65 PolarHBondContact O-N 3.22Å; K65-E68 WeakPolarHBondContact O-CB 3.41Å; K65-E68 PolarHBondContact O-N 3.33Å; K65-S69 PolarHBondContact O-N 2.88Å
66Q59.8Low64.7Low115 Ų11595.9 Ų95.954%0.53746%0.464SS..Hα-helixtrans-65.3-46.5-179.5-169.51682.900111.5E62 S63 R64 E68 S69 L70E62-Q66 PolarHBondContact O-N 2.95Å; S63-Q66 PolarHBondContact O-N 3.46Å; R64-Q66 PolarHBondContact O-N 2.77Å; Q66-E68 VanDerWaalsContact C-N 3.28Å; Q66-E68 PolarHBondContact O-N 2.95Å; Q66-S69 WeakPolarHBondContact O-CB 3.4Å; Q66-S69 PolarHBondContact O-N 3Å; Q66-S69 PolarHBondContact O-OG 3.38Å; Q66-L70 PolarHBondContact O-N 3.22Å
67N61.9Low65.5Low93 Ų9389 Ų8950%0.49743%0.433SS..Hα-helixtrans-62-34.1174.5-80.9-20.8000112.8S63 K71S63-N67 PolarHBondContact O-N 3.26Å; N67-K71 WeakPolarHBondContact O-CG 3.35Å; N67-K71 PolarHBondContact O-N 3.45Å
68E66.8Low66.3Low94 Ų9483.2 Ų83.244%0.43941%0.414SS..Hα-helixtrans-67-34172.5-76.1-174.3177.600113.1R64 K65 Q66 K71 K72R64-E68 WeakPolarHBondContact O-CG 3.4Å; R64-E68 PolarHBondContact O-N 3.01Å; R64-E68 VanDerWaalsContact O-N 3.08Å; K65-E68 WeakPolarHBondContact O-CB 3.41Å; K65-E68 PolarHBondContact O-N 3.33Å; Q66-E68 VanDerWaalsContact C-N 3.28Å; Q66-E68 PolarHBondContact O-N 2.95Å; E68-K71 PolarHBondContact O-N 2.85Å; E68-K72 WeakPolarHBondContact O-CB 3.37Å; E68-K72 VanDerWaalsContact O-CG 3.23Å; E68-K72 WeakPolarHBondContact O-CG 3.46Å; E68-K72 PolarHBondContact O-N 2.71Å
69S62.2Low67.5Low55 Ų5584.5 Ų84.539%0.38542%0.418SS..Hα-helixtrans-67.4-41.2-179.278.60000112.4K65 Q66 K72 S73K65-S69 PolarHBondContact O-N 2.88Å; Q66-S69 WeakPolarHBondContact O-CB 3.4Å; Q66-S69 PolarHBondContact O-N 3Å; Q66-S69 PolarHBondContact O-OG 3.38Å; S69-K72 WeakPolarHBondContact O-CB 3.35Å; S69-K72 PolarHBondContact O-N 2.85Å; S69-S73 PolarHBondContact O-N 3.1Å; S69-S73 VanDerWaalsContact O-N 3.09Å; S69-S73 PolarHBondContact O-OG 3.25Å
70L63.7Low68.7Low114 Ų11487.2 Ų87.260%0.59743%0.429SS*.Hα-helixtrans-62.6-47174.5-68.2174.6000111Q66 K72 S73 G74Q66-L70 PolarHBondContact O-N 3.22Å; L70-K72 VanDerWaalsContact C-N 3.29Å; L70-K72 PolarHBondContact O-N 3.32Å; L70-S73 WeakPolarHBondContact O-CB 3.36Å; L70-S73 PolarHBondContact O-N 3.25Å; L70-S73 VanDerWaalsContact O-N 3.07Å; L70-G74 PolarHBondContact O-N 2.86Å; L70-G74 VanDerWaalsContact O-N 3.15Å
71K67.2Low69.8Low145 Ų14583 Ų8363%0.6341%0.41SS*.Hα-helixtrans-60.5-37.2175.5-71.5-178.4178.8-176.90112.3N67 E68 S73 G74 V75N67-K71 WeakPolarHBondContact O-CG 3.35Å; N67-K71 PolarHBondContact O-N 3.45Å; E68-K71 PolarHBondContact O-N 2.85Å; K71-S73 VanDerWaalsContact C-N 3.34Å; K71-S73 PolarHBondContact O-N 3.48Å; K71-G74 PolarHBondContact O-N 3Å; K71-V75 WeakPolarHBondContact O-CG2 3.38Å; K71-V75 PolarHBondContact O-N 3.44Å; K71-V75 VanDerWaalsContact O-N 3.12Å
72K71.2Confident71Confident126 Ų12681.6 Ų81.655%0.54840%0.396SS..Hα-helixtrans-64-37174.8-76.1169.7-172173.40112E68 S69 L70 V75 R76E68-K72 WeakPolarHBondContact O-CB 3.37Å; E68-K72 VanDerWaalsContact O-CG 3.23Å; E68-K72 WeakPolarHBondContact O-CG 3.46Å; E68-K72 PolarHBondContact O-N 2.71Å; S69-K72 WeakPolarHBondContact O-CB 3.35Å; S69-K72 PolarHBondContact O-N 2.85Å; L70-K72 VanDerWaalsContact C-N 3.29Å; L70-K72 PolarHBondContact O-N 3.32Å; K72-V75 PolarHBondContact O-N 3.47Å; K72-R76 WeakPolarHBondContact O-CG 3.49Å; K72-R76 PolarHBondContact O-N 3.27Å
73S70.8Confident72.4Confident31 Ų3180.5 Ų80.522%0.21740%0.398CS..Hα-helixtrans-66-43.5176.1-64.60000112.3S69 L70 K71 V75 R76 L77S69-S73 PolarHBondContact O-N 3.1Å; S69-S73 VanDerWaalsContact O-N 3.09Å; S69-S73 PolarHBondContact O-OG 3.25Å; L70-S73 WeakPolarHBondContact O-CB 3.36Å; L70-S73 PolarHBondContact O-N 3.25Å; L70-S73 VanDerWaalsContact O-N 3.07Å; K71-S73 VanDerWaalsContact C-N 3.34Å; K71-S73 PolarHBondContact O-N 3.48Å; S73-V75 VanDerWaalsContact C-N 3.34Å; S73-V75 PolarHBondContact O-N 3.43Å; S73-R76 PolarHBondContact O-N 2.74Å; S73-R76 PolarHBondContact OG-NH2 3.39Å; S73-L77 PolarHBondContact O-N 2.87Å
74G71.6Confident74Confident11 Ų1181.1 Ų81.111%0.11340%0.4CS..Hα-helixtrans-59.6-41.6173.900000113L70 K71 L77 A78L70-G74 PolarHBondContact O-N 2.86Å; L70-G74 VanDerWaalsContact O-N 3.15Å; K71-G74 PolarHBondContact O-N 3Å; G74-L77 PolarHBondContact O-N 3.47Å; G74-A78 WeakPolarHBondContact O-CB 3.32Å; G74-A78 PolarHBondContact O-N 3.12Å
75V75.2Confident75.3Confident49 Ų4974 Ų7430%0.29737%0.374SS..Hα-helixtrans-66.4-38.9176173.70000112.2K71 K72 S73 A78 K79K71-V75 WeakPolarHBondContact O-CG2 3.38Å; K71-V75 PolarHBondContact O-N 3.44Å; K71-V75 VanDerWaalsContact O-N 3.12Å; K72-V75 PolarHBondContact O-N 3.47Å; S73-V75 VanDerWaalsContact C-N 3.34Å; S73-V75 PolarHBondContact O-N 3.43Å; V75-A78 PolarHBondContact O-N 3.16Å; V75-K79 WeakPolarHBondContact O-CG 3.26Å; V75-K79 PolarHBondContact O-N 3.47Å; V75-K79 VanDerWaalsContact O-N 3.15Å
76R80.5Confident76.8Confident163 Ų16372.6 Ų72.662%0.61537%0.372SS*.Hα-helixtrans-63-45.8175.4-76.6-175-67.7164.1-0.5110.9K72 S73 A78 K79 V80K72-R76 WeakPolarHBondContact O-CG 3.49Å; K72-R76 PolarHBondContact O-N 3.27Å; S73-R76 PolarHBondContact O-N 2.74Å; S73-R76 PolarHBondContact OG-NH2 3.39Å; R76-A78 PolarHBondContact O-N 2.87Å; R76-K79 PolarHBondContact O-N 3.14Å; R76-V80 WeakPolarHBondContact O-CG2 3.48Å; R76-V80 PolarHBondContact O-N 3.36Å; R76-V80 VanDerWaalsContact O-N 3.12Å
77L81.1Confident78.3Confident20 Ų2072.5 Ų72.511%0.10537%0.374CS..Hα-helixtrans-58.1-48.7176.3-177.467.4000111.2S73 G74 K79 V80 T81 V200 Y204 T209S73-L77 PolarHBondContact O-N 2.87Å; G74-L77 PolarHBondContact O-N 3.47Å; L77-K79 VanDerWaalsContact C-N 3.25Å; L77-K79 PolarHBondContact O-N 3.26Å; L77-V80 PolarHBondContact O-N 3.17Å; L77-V80 VanDerWaalsContact O-N 3.07Å; L77-T81 HydrophobicContact CD1-CG2 4.32Å; L77-T81 HydrophobicContact CG-CG2 4.33Å; L77-T81 WeakPolarHBondContact O-CG2 3.01Å; L77-T81 PolarHBondContact O-N 3.06Å; L77-T81 PolarHBondContact O-OG1 3.08Å; L77-V200 HydrophobicContact CD1-CG1 3.76Å; L77-Y204 HydrophobicContact CD2-CD1 4.49Å; L77-Y204 HydrophobicContact CD2-CD2 3.47Å; L77-Y204 VanDerWaalsContact CD2-CD2 3.47Å; L77-Y204 HydrophobicContact CD2-CE2 3.58Å; L77-Y204 HydrophobicContact CD2-CG 3.96Å; L77-T209 HydrophobicContact CD2-CG2 4.3Å
78A77.4Confident79.6Confident34 Ų3468.7 Ų68.728%0.28135%0.353SS..Hα-helixtrans-59.3-33.4179.300000113.4G74 V75 R76 T81 F82G74-A78 WeakPolarHBondContact O-CB 3.32Å; G74-A78 PolarHBondContact O-N 3.12Å; V75-A78 PolarHBondContact O-N 3.16Å; R76-A78 PolarHBondContact O-N 2.87Å; A78-T81 WeakPolarHBondContact CA-OG1 3.46Å; A78-T81 PolarHBondContact O-OG1 3.42Å; A78-F82 VanDerWaalsContact O-CB 3.25Å; A78-F82 WeakPolarHBondContact O-CB 3.49Å; A78-F82 PolarHBondContact O-N 3.27Å
79K84.9Confident80.8Confident122 Ų12266.1 Ų66.153%0.5334%0.342SS..Hα-helixtrans-71-40.5174.7-72.3178179.1-173.60112.5V75 R76 L77 S83V75-K79 WeakPolarHBondContact O-CG 3.26Å; V75-K79 PolarHBondContact O-N 3.47Å; V75-K79 VanDerWaalsContact O-N 3.15Å; R76-K79 PolarHBondContact O-N 3.14Å; L77-K79 VanDerWaalsContact C-N 3.25Å; L77-K79 PolarHBondContact O-N 3.26Å; K79-S83 PolarHBondContact O-N 3.02Å; K79-S83 PolarHBondContact O-OG 3.34Å
80V86.3Confident82.2Confident85 Ų8566.4 Ų66.452%0.51535%0.348SS..Hα-helixtrans-64.4-49177.3173.10000109.6R76 L77 F82 S83 V84R76-V80 WeakPolarHBondContact O-CG2 3.48Å; R76-V80 PolarHBondContact O-N 3.36Å; R76-V80 VanDerWaalsContact O-N 3.12Å; L77-V80 PolarHBondContact O-N 3.17Å; L77-V80 VanDerWaalsContact O-N 3.07Å; V80-F82 VanDerWaalsContact C-N 3.33Å; V80-F82 PolarHBondContact O-N 3.18Å; V80-S83 PolarHBondContact O-N 2.85Å; V80-V84 WeakPolarHBondContact O-CG2 3.27Å; V80-V84 PolarHBondContact O-N 3.26Å
81T85Confident83.4Confident4 Ų463.7 Ų63.73%0.02534%0.336CS..Hα-helixtrans-61.6-40.7178.559.90000112.1L77 A78 S83 V84 N85 L197 L212L77-T81 HydrophobicContact CD1-CG2 4.32Å; L77-T81 HydrophobicContact CG-CG2 4.33Å; L77-T81 WeakPolarHBondContact O-CG2 3.01Å; L77-T81 PolarHBondContact O-N 3.06Å; L77-T81 PolarHBondContact O-OG1 3.08Å; A78-T81 WeakPolarHBondContact CA-OG1 3.46Å; A78-T81 PolarHBondContact O-OG1 3.42Å; T81-S83 VanDerWaalsContact C-N 3.35Å; T81-S83 PolarHBondContact O-N 2.91Å; T81-V84 PolarHBondContact O-N 3.12Å; T81-N85 WeakPolarHBondContact O-CB 3.41Å; T81-N85 PolarHBondContact O-N 3.42Å; T81-L197 HydrophobicContact CG2-CD2 4.16Å; T81-L212 HydrophobicContact CG2-CD2 3.9Å; T81-L212 WeakPolarHBondContact OG1-CD2 3.41Å
82F86.8Confident84.4Confident62 Ų6256.9 Ų56.927%0.27231%0.306SS..Hα-helixtrans-59.2-45.1174.5-178-102.4000112.4A78 V80 V84 N85 L86 I115 V119A78-F82 VanDerWaalsContact O-CB 3.25Å; A78-F82 WeakPolarHBondContact O-CB 3.49Å; A78-F82 PolarHBondContact O-N 3.27Å; V80-F82 VanDerWaalsContact C-N 3.33Å; V80-F82 PolarHBondContact O-N 3.18Å; F82-V84 VanDerWaalsContact C-N 3.34Å; F82-V84 PolarHBondContact O-N 3.04Å; F82-N85 PolarHBondContact O-N 2.8Å; F82-L86 PolarHBondContact O-N 3.12Å; F82-I115 HydrophobicContact CE2-CG2 3.77Å; F82-I115 HydrophobicContact CZ-CG2 4.02Å; F82-V119 HydrophobicContact CE2-CG2 3.79Å; F82-V119 HydrophobicContact CZ-CG2 3.85Å
83S89.1Confident85.2Confident65 Ų6553 Ų5346%0.45530%0.298SS..Hα-helixtrans-64.8-39.7179.5-53.70000111.7K79 V80 T81 L86 I87K79-S83 PolarHBondContact O-N 3.02Å; K79-S83 PolarHBondContact O-OG 3.34Å; V80-S83 PolarHBondContact O-N 2.85Å; T81-S83 VanDerWaalsContact C-N 3.35Å; T81-S83 PolarHBondContact O-N 2.91Å; S83-L86 PolarHBondContact O-N 2.96Å; S83-I87 WeakPolarHBondContact O-CG1 3.38Å; S83-I87 PolarHBondContact O-N 3.21Å
84V89.3Confident86Confident39 Ų3955.6 Ų55.624%0.23631%0.313CS..Hα-helixtrans-67.2-43.3175.61770000111.1V80 T81 F82 L86 I87 L88 T193 L197V80-V84 WeakPolarHBondContact O-CG2 3.27Å; V80-V84 PolarHBondContact O-N 3.26Å; T81-V84 PolarHBondContact O-N 3.12Å; F82-V84 VanDerWaalsContact C-N 3.34Å; F82-V84 PolarHBondContact O-N 3.04Å; V84-L86 VanDerWaalsContact C-N 3.27Å; V84-L86 PolarHBondContact O-N 2.94Å; V84-I87 PolarHBondContact O-N 3.07Å; V84-L88 HydrophobicContact CG1-CD1 3.91Å; V84-L88 HydrophobicContact CG1-CG 4.2Å; V84-L88 WeakPolarHBondContact O-CG 3.35Å; V84-L88 PolarHBondContact O-N 2.61Å; V84-T193 HydrophobicContact CG1-CG2 3.81Å; V84-L197 HydrophobicContact CB-CD1 4.32Å; V84-L197 HydrophobicContact CG1-CD1 3.83Å
85N90.2Very high86.6Confident4 Ų455.1 Ų55.12%0.02131%0.308CS..Hα-helixtrans-60.1-37.1176.5-77.2-7.2000112.1T81 F82 L88 L89 K194T81-N85 WeakPolarHBondContact O-CB 3.41Å; T81-N85 PolarHBondContact O-N 3.42Å; F82-N85 PolarHBondContact O-N 2.8Å; N85-L88 PolarHBondContact O-N 3.49Å; N85-L89 PolarHBondContact O-N 2.95Å; N85-K194 PolarHBondContact OD1-NZ 2.99Å
86L91.1Very high87Confident94 Ų9453.1 Ų53.149%0.49230%0.297SS..Hα-helixtrans-61.9-45.4175.5-177.765.2000112.3F82 S83 V84 L89 A90 I115F82-L86 PolarHBondContact O-N 3.12Å; S83-L86 PolarHBondContact O-N 2.96Å; V84-L86 VanDerWaalsContact C-N 3.27Å; V84-L86 PolarHBondContact O-N 2.94Å; L86-L89 PolarHBondContact O-N 3.15Å; L86-A90 PolarHBondContact O-N 2.96Å; L86-I115 HydrophobicContact CB-CD1 4.37Å; L86-I115 HydrophobicContact CD1-CD1 3.68Å
87I91.2Very high87.1Confident113 Ų11348.7 Ų48.758%0.57930%0.302SS*.Hα-helixtrans-65.3-44.3176.9-63.5167.6000110.2S83 V84 L89 A90 V91S83-I87 WeakPolarHBondContact O-CG1 3.38Å; S83-I87 PolarHBondContact O-N 3.21Å; V84-I87 PolarHBondContact O-N 3.07Å; I87-L89 VanDerWaalsContact C-N 3.32Å; I87-L89 PolarHBondContact O-N 3Å; I87-A90 PolarHBondContact O-N 2.87Å; I87-V91 WeakPolarHBondContact O-CG2 3.4Å; I87-V91 PolarHBondContact O-N 3.01Å; I87-V91 VanDerWaalsContact O-N 3.08Å
88L89.7Confident87.2Confident13 Ų1353.8 Ų53.87%0.06833%0.329CS..Hα-helixtrans-61.8-38.1178.7-72.4175.1000112.3V84 N85 V91 K92 T190 T193 K194V84-L88 HydrophobicContact CG1-CD1 3.91Å; V84-L88 HydrophobicContact CG1-CG 4.2Å; V84-L88 WeakPolarHBondContact O-CG 3.35Å; V84-L88 PolarHBondContact O-N 2.61Å; N85-L88 PolarHBondContact O-N 3.49Å; L88-V91 PolarHBondContact O-N 3.28Å; L88-K92 VanDerWaalsContact O-CB 3.31Å; L88-K92 WeakPolarHBondContact O-CB 3.49Å; L88-K92 WeakPolarHBondContact O-CG 3.41Å; L88-K92 PolarHBondContact O-N 3.19Å; L88-T190 HydrophobicContact CD2-CG2 3.93Å; L88-T193 HydrophobicContact CD1-CG2 4.03Å; L88-T193 HydrophobicContact CD2-CG2 4.24Å; L88-K194 HydrophobicContact CD1-CD 4.11Å; L88-K194 HydrophobicContact CD1-CG 4.15Å
89L91.9Very high87.3Confident39 Ų3952.3 Ų52.320%0.20432%0.316CS..Hα-helixtrans-62.6-47.317517863.5000111.4N85 L86 I87 V91 K92 A93 V108 I115N85-L89 PolarHBondContact O-N 2.95Å; L86-L89 PolarHBondContact O-N 3.15Å; I87-L89 VanDerWaalsContact C-N 3.32Å; I87-L89 PolarHBondContact O-N 3Å; L89-V91 VanDerWaalsContact C-N 3.3Å; L89-V91 PolarHBondContact O-N 3.07Å; L89-K92 PolarHBondContact O-N 3.47Å; L89-A93 VanDerWaalsContact O-CB 3.25Å; L89-A93 WeakPolarHBondContact O-CB 3.22Å; L89-A93 PolarHBondContact O-N 3.49Å; L89-V108 HydrophobicContact CD1-CG1 4.17Å; L89-I115 HydrophobicContact CB-CD1 3.8Å; L89-I115 HydrophobicContact CD2-CD1 3.25Å; L89-I115 HydrophobicContact CD2-CG1 4.17Å; L89-I115 HydrophobicContact CG-CD1 4.15Å
90A91.4Very high87.1Confident61 Ų6148.5 Ų48.550%0.50431%0.312SS..Hα-helixtrans-58.9-45.4-179.800000111.1L86 I87 A93 T94L86-A90 PolarHBondContact O-N 2.96Å; I87-A90 PolarHBondContact O-N 2.87Å; A90-A93 PolarHBondContact O-N 3.38Å; A90-T94 PolarHBondContact O-N 3.24Å
91V89.5Confident86.9Confident58 Ų5844.4 Ų44.435%0.35229%0.287SS..Hα-helixtrans-62.8-48.3176.7169.50000111.4I87 L88 L89 A93 T94 A95 I186I87-V91 WeakPolarHBondContact O-CG2 3.4Å; I87-V91 PolarHBondContact O-N 3.01Å; I87-V91 VanDerWaalsContact O-N 3.08Å; L88-V91 PolarHBondContact O-N 3.28Å; L89-V91 VanDerWaalsContact C-N 3.3Å; L89-V91 PolarHBondContact O-N 3.07Å; V91-A93 PolarHBondContact O-N 2.99Å; V91-T94 PolarHBondContact O-N 3.5Å; V91-T94 PolarHBondContact O-OG1 2.97Å; V91-A95 PolarHBondContact O-N 3.4Å; V91-I186 HydrophobicContact CG1-CG2 3.33Å
92K88.3Confident87Confident1 Ų145.6 Ų45.60%0.00429%0.293CS..Hα-helixtrans-64.5-37.9177.7-78.5178.6160.5-162.10113.2L88 L89 T94 A95 G96 S107 V108 S111 T190 N223L88-K92 VanDerWaalsContact O-CB 3.31Å; L88-K92 WeakPolarHBondContact O-CB 3.49Å; L88-K92 WeakPolarHBondContact O-CG 3.41Å; L88-K92 PolarHBondContact O-N 3.19Å; L89-K92 PolarHBondContact O-N 3.47Å; K92-T94 VanDerWaalsContact C-N 3.29Å; K92-T94 PolarHBondContact O-N 3.27Å; K92-A95 PolarHBondContact O-N 3.07Å; K92-A95 VanDerWaalsContact O-N 3.15Å; K92-G96 PolarHBondContact O-N 2.94Å; K92-S107 PolarHBondContact NZ-O 3.49Å; K92-V108 HydrophobicContact CB-CG2 4.07Å; K92-V108 WeakPolarHBondContact O-CG2 3.31Å; K92-S111 WeakPolarHBondContact CD-OG 3.44Å; K92-S111 PolarHBondContact NZ-OG 3.25Å; K92-T190 HydrophobicContact CD-CG2 4.23Å; K92-T190 HydrophobicContact CG-CG2 3.69Å; K92-N223 VanDerWaalsContact CE-OD1 3.28Å; K92-N223 WeakPolarHBondContact CE-OD1 3.4Å; K92-N223 PolarHBondContact NZ-ND2 3.34Å; K92-N223 PolarHBondContact NZ-OD1 2.93Å
93A88.2Confident86.9Confident45 Ų4542.6 Ų42.637%0.37228%0.28SS..Hα-helixtrans-61.2-40.417800000111.1L89 A90 V91 G96 G97 V108L89-A93 VanDerWaalsContact O-CB 3.25Å; L89-A93 WeakPolarHBondContact O-CB 3.22Å; L89-A93 PolarHBondContact O-N 3.49Å; A90-A93 PolarHBondContact O-N 3.38Å; V91-A93 PolarHBondContact O-N 2.99Å; A93-G96 PolarHBondContact O-N 3.21Å; A93-G97 PolarHBondContact O-N 3.16Å; A93-V108 HydrophobicContact CB-CG1 4.38Å
94T86.7Confident86.8Confident85 Ų8539.6 Ų39.652%0.52126%0.259SS..Hα-helixtrans-63.5-42.8172.962.40000112.1A90 V91 K92 G97 L98A90-T94 PolarHBondContact O-N 3.24Å; V91-T94 PolarHBondContact O-N 3.5Å; V91-T94 PolarHBondContact O-OG1 2.97Å; K92-T94 VanDerWaalsContact C-N 3.29Å; K92-T94 PolarHBondContact O-N 3.27Å; T94-G97 PolarHBondContact O-N 3.03Å; T94-L98 VanDerWaalsContact O-CG 3.29Å; T94-L98 WeakPolarHBondContact O-CG 3.38Å; T94-L98 PolarHBondContact O-N 2.97Å
95A84.5Confident86.7Confident1 Ų141 Ų411%0.00827%0.265CS..Hα-helixtrans-65.2-40.6176.600000112.8V91 K92 L98 S99 T183 I186V91-A95 PolarHBondContact O-N 3.4Å; K92-A95 PolarHBondContact O-N 3.07Å; K92-A95 VanDerWaalsContact O-N 3.15Å; A95-L98 PolarHBondContact O-N 3.45Å; A95-S99 VanDerWaalsContact O-CB 3.24Å; A95-S99 WeakPolarHBondContact O-CB 3.42Å; A95-S99 PolarHBondContact O-N 2.99Å; A95-T183 HydrophobicContact CB-CG2 4.26Å; A95-I186 HydrophobicContact CB-CB 4.19Å; A95-I186 HydrophobicContact CB-CD1 4.06Å; A95-I186 HydrophobicContact CB-CG2 3.78Å
96G83.9Confident86.6Confident8 Ų841 Ų418%0.08227%0.265CS..Hα-helixtrans-65.9-40.2177.600000113K92 A93 L98K92-G96 PolarHBondContact O-N 2.94Å; A93-G96 PolarHBondContact O-N 3.21Å; G96-L98 VanDerWaalsContact C-N 3.3Å; G96-L98 PolarHBondContact O-N 3.19Å
97G83.6Confident86.5Confident70 Ų7036.6 Ų36.672%0.72224%0.242SC*.Hα-helixtrans-65.8-30.7176.400000113.7A93 T94A93-G97 PolarHBondContact O-N 3.16Å; T94-G97 PolarHBondContact O-N 3.03Å
98L82.3Confident86.5Confident127 Ų12732.5 Ų32.567%0.66522%0.222SC*.Hα-helixtrans-84.4-31.3179.2-66.4171.9000113.4T94 A95 G96T94-L98 VanDerWaalsContact O-CG 3.29Å; T94-L98 WeakPolarHBondContact O-CG 3.38Å; T94-L98 PolarHBondContact O-N 2.97Å; A95-L98 PolarHBondContact O-N 3.45Å; G96-L98 VanDerWaalsContact C-N 3.3Å; G96-L98 PolarHBondContact O-N 3.19Å
99S80.5Confident86.5Confident2 Ų234 Ų341%0.01423%0.231CC..Hα-helixtrans-80.1-31.6-170.3-175.20000114.4A95 S101 D178A95-S99 VanDerWaalsContact O-CB 3.24Å; A95-S99 WeakPolarHBondContact O-CB 3.42Å; A95-S99 PolarHBondContact O-N 2.99Å; S99-S101 PolarHBondContact O-N 3.29Å; S99-S101 WeakPolarHBondContact OG-CB 3.38Å; S99-D178 PolarHBondContact O-N 3Å
100G79Confident86.4Confident42 Ų4232.6 Ų32.643%0.43322%0.224SC..  trans63.8-2.1-170.700000115.1V175G100-V175 WeakPolarHBondContact O-CG1 3.45Å
101S83.5Confident86.3Confident0 Ų029.7 Ų29.70%020%0.2CC..  trans-75.4134.8179.3159.30000112.5S99 S103 V104 I105 D241S99-S101 PolarHBondContact O-N 3.29Å; S99-S101 WeakPolarHBondContact OG-CB 3.38Å; S101-S103 PolarHBondContact OG-N 2.94Å; S101-S103 PolarHBondContact OG-OG 2.89Å; S101-S103 VanDerWaalsContact OG-OG 3.08Å; S101-V104 PolarHBondContact O-N 2.84Å; S101-V104 WeakPolarHBondContact OG-CG2 3.32Å; S101-V104 PolarHBondContact OG-N 3.48Å; S101-I105 WeakPolarHBondContact O-CD1 3.44Å; S101-I105 VanDerWaalsContact O-CG1 3.23Å; S101-I105 WeakPolarHBondContact O-CG1 3.48Å; S101-I105 PolarHBondContact O-N 2.95Å; S101-D241 VanDerWaalsContact OG-CG 3.27Å; S101-D241 PolarHBondContact OG-OD1 2.84Å; S101-D241 PolarHBondContact OG-OD2 3.11Å
102L85.6Confident86.4Confident28 Ų2828.2 Ų28.215%0.14720%0.196CC..Hα-helixtrans-71.7-34.8177.4-65.6167.5000112.2V104 I105 S106 A169 V175 D241 P242 A245L102-V104 VanDerWaalsContact C-N 3.34Å; L102-I105 PolarHBondContact O-N 2.54Å; L102-S106 WeakPolarHBondContact O-CB 3.36Å; L102-S106 PolarHBondContact O-N 3.06Å; L102-A169 HydrophobicContact CD1-CB 3.32Å; L102-A169 HydrophobicContact CD2-CB 4.2Å; L102-A169 HydrophobicContact CG-CB 4.37Å; L102-V175 HydrophobicContact CD1-CG2 4.12Å; L102-V175 HydrophobicContact CG-CG1 4.49Å; L102-V175 HydrophobicContact CG-CG2 4.49Å; L102-D241 PolarHBondContact N-OD2 3.27Å; L102-P242 HydrophobicContact CD1-CB 3.88Å; L102-P242 HydrophobicContact CD1-CG 3.82Å; L102-A245 HydrophobicContact CB-CB 4.37Å
103S85.8Confident86.6Confident0 Ų030.5 Ų30.50%021%0.208CC..Hα-helixtrans-67.9-37176700000111.4S101 S106 S107 A226 D241S101-S103 PolarHBondContact OG-N 2.94Å; S101-S103 PolarHBondContact OG-OG 2.89Å; S101-S103 VanDerWaalsContact OG-OG 3.08Å; S103-S106 WeakPolarHBondContact O-CB 3.47Å; S103-S106 PolarHBondContact O-N 3.18Å; S103-S107 PolarHBondContact O-N 2.88Å; S103-S107 VanDerWaalsContact O-N 3.13Å; S103-A226 WeakPolarHBondContact O-CB 3.36Å; S103-A226 PolarHBondContact OG-O 3.21Å; S103-D241 WeakPolarHBondContact CB-OD1 3.41Å; S103-D241 PolarHBondContact N-OD1 3.36Å; S103-D241 PolarHBondContact OG-OD1 3.1Å
104V86.5Confident86.6Confident2 Ų228.4 Ų28.41%0.01219%0.19CC..Hα-helixtrans-66.4-45172.2-176.60000110.6S101 L102 S106 S107 V108 T183 M187 A230S101-V104 PolarHBondContact O-N 2.84Å; S101-V104 WeakPolarHBondContact OG-CG2 3.32Å; S101-V104 PolarHBondContact OG-N 3.48Å; L102-V104 VanDerWaalsContact C-N 3.34Å; V104-S106 VanDerWaalsContact C-N 3.32Å; V104-S106 PolarHBondContact O-N 3.38Å; V104-S107 WeakPolarHBondContact O-CB 3.41Å; V104-S107 PolarHBondContact O-N 3.14Å; V104-S107 VanDerWaalsContact O-N 3.09Å; V104-S107 PolarHBondContact O-OG 2.85Å; V104-V108 WeakPolarHBondContact O-CG2 3.41Å; V104-V108 PolarHBondContact O-N 3.04Å; V104-T183 HydrophobicContact CG1-CG2 4.38Å; V104-T183 HydrophobicContact CG2-CG2 4.26Å; V104-M187 HydrophobicContact CB-SD 4.26Å; V104-M187 HydrophobicContact CG1-CE 4.49Å; V104-M187 HydrophobicContact CG1-SD 3.91Å; V104-M187 HydrophobicContact CG2-CE 4.11Å; V104-M187 HydrophobicContact CG2-SD 3.51Å; V104-M187 VanDerWaalsContact CG2-SD 3.51Å; V104-A230 HydrophobicContact CG2-CB 4.34Å
105I87.5Confident86.8Confident69 Ų6925.6 Ų25.635%0.35417%0.172SC..Hα-helixtrans-59.7-41.4176-69.2163.1000111.5S101 L102 S107 V108 V109S101-I105 WeakPolarHBondContact O-CD1 3.44Å; S101-I105 VanDerWaalsContact O-CG1 3.23Å; S101-I105 WeakPolarHBondContact O-CG1 3.48Å; S101-I105 PolarHBondContact O-N 2.95Å; L102-I105 PolarHBondContact O-N 2.54Å; I105-S107 VanDerWaalsContact C-N 3.29Å; I105-S107 PolarHBondContact O-N 3.48Å; I105-V108 WeakPolarHBondContact O-CB 3.44Å; I105-V108 PolarHBondContact O-N 2.82Å; I105-V108 VanDerWaalsContact O-N 3.09Å; I105-V109 WeakPolarHBondContact O-CG2 3.46Å; I105-V109 PolarHBondContact O-N 3.15Å
106S88.4Confident87.1Confident4 Ų427.2 Ų27.23%0.02819%0.185CC..Hα-helixtrans-54.7-46.5173.2177.40000111.3L102 S103 V104 V108 V109 D110 V162L102-S106 WeakPolarHBondContact O-CB 3.36Å; L102-S106 PolarHBondContact O-N 3.06Å; S103-S106 WeakPolarHBondContact O-CB 3.47Å; S103-S106 PolarHBondContact O-N 3.18Å; V104-S106 VanDerWaalsContact C-N 3.32Å; V104-S106 PolarHBondContact O-N 3.38Å; S106-V108 VanDerWaalsContact C-N 3.27Å; S106-V108 PolarHBondContact O-N 3.35Å; S106-V109 PolarHBondContact O-N 3.24Å; S106-D110 PolarHBondContact O-N 3.23Å; S106-V162 WeakPolarHBondContact OG-CG1 3.28Å
107S88.6Confident87.4Confident1 Ų127.1 Ų27.11%0.00718%0.183CC..Hα-helixtrans-67.8-22.9178.284.10000114.6K92 S103 V104 I105 S111 N223K92-S107 PolarHBondContact NZ-O 3.49Å; S103-S107 PolarHBondContact O-N 2.88Å; S103-S107 VanDerWaalsContact O-N 3.13Å; V104-S107 WeakPolarHBondContact O-CB 3.41Å; V104-S107 PolarHBondContact O-N 3.14Å; V104-S107 VanDerWaalsContact O-N 3.09Å; V104-S107 PolarHBondContact O-OG 2.85Å; I105-S107 VanDerWaalsContact C-N 3.29Å; I105-S107 PolarHBondContact O-N 3.48Å; S107-S111 PolarHBondContact O-N 3.42Å; S107-N223 WeakPolarHBondContact CB-OD1 3.47Å
108V90.4Very high87.7Confident27 Ų2724.4 Ų24.416%0.16416%0.156CC..Hα-helixtrans-76.5-44.3172.1175.70000110.1L89 K92 A93 V104 I105 S106 D110 S111 G112L89-V108 HydrophobicContact CD1-CG1 4.17Å; K92-V108 HydrophobicContact CB-CG2 4.07Å; K92-V108 WeakPolarHBondContact O-CG2 3.31Å; A93-V108 HydrophobicContact CB-CG1 4.38Å; V104-V108 WeakPolarHBondContact O-CG2 3.41Å; V104-V108 PolarHBondContact O-N 3.04Å; I105-V108 WeakPolarHBondContact O-CB 3.44Å; I105-V108 PolarHBondContact O-N 2.82Å; I105-V108 VanDerWaalsContact O-N 3.09Å; S106-V108 VanDerWaalsContact C-N 3.27Å; S106-V108 PolarHBondContact O-N 3.35Å; V108-D110 VanDerWaalsContact C-N 3.3Å; V108-D110 PolarHBondContact O-N 3.45Å; V108-S111 PolarHBondContact O-N 2.83Å; V108-G112 PolarHBondContact O-N 2.82Å
109V90.9Very high88.1Confident44 Ų4421 Ų2127%0.26714%0.14SC..Hα-helixtrans-58.9-45.4176.1173.40000110.1I105 S106 S111 G112 M113 A158 V162I105-V109 WeakPolarHBondContact O-CG2 3.46Å; I105-V109 PolarHBondContact O-N 3.15Å; S106-V109 PolarHBondContact O-N 3.24Å; V109-S111 PolarHBondContact O-N 3.46Å; V109-G112 WeakPolarHBondContact O-CA 3.28Å; V109-G112 PolarHBondContact O-N 2.89Å; V109-G112 VanDerWaalsContact O-N 3.09Å; V109-M113 HydrophobicContact CG1-CE 4.29Å; V109-M113 HydrophobicContact CG1-CG 4.48Å; V109-M113 WeakPolarHBondContact O-CG 3.38Å; V109-M113 PolarHBondContact O-N 3.48Å; V109-A158 HydrophobicContact CG1-CB 4.49Å; V109-V162 HydrophobicContact CB-CG2 4.1Å; V109-V162 HydrophobicContact CG1-CG2 3.87Å; V109-V162 HydrophobicContact CG2-CG2 4.27Å
110D89.9Confident88.7Confident9 Ų922.5 Ų22.55%0.04815%0.147CC..Hα-helixtrans-53-54.6175.3-158.733.6000111S106 V108 G112 M113 D114 S222S106-D110 PolarHBondContact O-N 3.23Å; V108-D110 VanDerWaalsContact C-N 3.3Å; V108-D110 PolarHBondContact O-N 3.45Å; D110-G112 VanDerWaalsContact C-N 3.27Å; D110-G112 PolarHBondContact O-N 3.12Å; D110-M113 CarbonylContact O-C 3.6Å; D110-M113 WeakPolarHBondContact O-CA 3.35Å; D110-M113 WeakPolarHBondContact O-CB 3.37Å; D110-M113 PolarHBondContact O-N 2.98Å; D110-D114 PolarHBondContact O-N 3.19Å; D110-S222 VanDerWaalsContact OD2-CB 3.28Å; D110-S222 WeakPolarHBondContact OD2-CB 3.4Å; D110-S222 PolarHBondContact OD2-OG 3.46Å
111S89.2Confident89.2Confident1 Ų121.4 Ų21.41%0.00713%0.131CC..Hα-helixtrans-66.4-24.1177.1-730000115.1K92 S107 V108 V109 D114K92-S111 WeakPolarHBondContact CD-OG 3.44Å; K92-S111 PolarHBondContact NZ-OG 3.25Å; S107-S111 PolarHBondContact O-N 3.42Å; V108-S111 PolarHBondContact O-N 2.83Å; V109-S111 PolarHBondContact O-N 3.46Å; S111-D114 WeakPolarHBondContact CA-OD2 3.44Å
112G91.5Very high89.4Confident26 Ų2628.4 Ų28.427%0.26816%0.158SC..Hα-helixtrans-66.4-41169.200000111.4V108 V109 D110 D114 I115 A116V108-G112 PolarHBondContact O-N 2.82Å; V109-G112 WeakPolarHBondContact O-CA 3.28Å; V109-G112 PolarHBondContact O-N 2.89Å; V109-G112 VanDerWaalsContact O-N 3.09Å; D110-G112 VanDerWaalsContact C-N 3.27Å; D110-G112 PolarHBondContact O-N 3.12Å; G112-D114 VanDerWaalsContact C-N 3.35Å; G112-I115 PolarHBondContact O-N 3.07Å; G112-A116 PolarHBondContact O-N 3.43Å
113M91.2Very high89.7Confident49 Ų4931.6 Ų31.624%0.24117%0.174CC..Hα-helixtrans-72.5-27.1178.1-58.7-66.316700112.4V109 D110 I115 A116 S117 I154 M155 A158V109-M113 HydrophobicContact CG1-CE 4.29Å; V109-M113 HydrophobicContact CG1-CG 4.48Å; V109-M113 WeakPolarHBondContact O-CG 3.38Å; V109-M113 PolarHBondContact O-N 3.48Å; D110-M113 CarbonylContact O-C 3.6Å; D110-M113 WeakPolarHBondContact O-CA 3.35Å; D110-M113 WeakPolarHBondContact O-CB 3.37Å; D110-M113 PolarHBondContact O-N 2.98Å; M113-I115 VanDerWaalsContact C-N 3.25Å; M113-I115 PolarHBondContact O-N 3.39Å; M113-A116 WeakPolarHBondContact O-CB 3.49Å; M113-A116 PolarHBondContact O-N 2.92Å; M113-A116 VanDerWaalsContact O-N 3.15Å; M113-S117 PolarHBondContact O-N 3.37Å; M113-I154 HydrophobicContact SD-CG2 3.89Å; M113-M155 HydrophobicContact CB-CE 3.94Å; M113-M155 HydrophobicContact CB-SD 3.22Å; M113-M155 WeakPolarHBondContact CB-SD 3.23Å; M113-M155 HydrophobicContact CG-SD 4.3Å; M113-A158 HydrophobicContact CE-CB 3.48Å; M113-A158 VanDerWaalsContact CE-CB 3.48Å; M113-A158 HydrophobicContact CG-CB 3.67Å; M113-A158 HydrophobicContact SD-CB 3.82Å
114D89.6Confident89.9Confident1 Ų132 Ų321%0.00518%0.177CC..Hα-helixtrans-59.6-35.4169.2-59.7-12.7000112.7D110 S111 G112 S117 G118 K194 D219D110-D114 PolarHBondContact O-N 3.19Å; S111-D114 WeakPolarHBondContact CA-OD2 3.44Å; G112-D114 VanDerWaalsContact C-N 3.35Å; D114-S117 PolarHBondContact O-OG 3.23Å; D114-G118 PolarHBondContact O-N 2.96Å; D114-K194 IonicContact OD2-NZ 3.06Å; D114-K194 PolarHBondContact OD2-NZ 2.91Å; D114-D219 VanDerWaalsContact OD2-OD1 3.08Å
115I90.8Very high89.8Confident26 Ų2633.2 Ų33.213%0.13319%0.186CC..Hα-helixtrans-69.4-45.6175.5-59.6-168.1000109.2F82 L86 L89 G112 M113 S117 G118 V119F82-I115 HydrophobicContact CE2-CG2 3.77Å; F82-I115 HydrophobicContact CZ-CG2 4.02Å; L86-I115 HydrophobicContact CB-CD1 4.37Å; L86-I115 HydrophobicContact CD1-CD1 3.68Å; L89-I115 HydrophobicContact CB-CD1 3.8Å; L89-I115 HydrophobicContact CD2-CD1 3.25Å; L89-I115 HydrophobicContact CD2-CG1 4.17Å; L89-I115 HydrophobicContact CG-CD1 4.15Å; G112-I115 PolarHBondContact O-N 3.07Å; M113-I115 VanDerWaalsContact C-N 3.25Å; M113-I115 PolarHBondContact O-N 3.39Å; I115-S117 VanDerWaalsContact C-N 3.28Å; I115-S117 PolarHBondContact O-N 3.48Å; I115-G118 PolarHBondContact O-N 2.8Å; I115-V119 HydrophobicContact CG2-CG2 4.46Å; I115-V119 WeakPolarHBondContact O-CG2 3.39Å; I115-V119 PolarHBondContact O-N 3.13Å
116A91.4Very high89.8Confident35 Ų3537.5 Ų37.529%0.28920%0.197SC..Hα-helixtrans-57.9-43.4176.500000111.2G112 M113 V119 I120G112-A116 PolarHBondContact O-N 3.43Å; M113-A116 WeakPolarHBondContact O-CB 3.49Å; M113-A116 PolarHBondContact O-N 2.92Å; M113-A116 VanDerWaalsContact O-N 3.15Å; A116-V119 PolarHBondContact O-N 3.45Å; A116-I120 VanDerWaalsContact O-CG1 3.28Å; A116-I120 WeakPolarHBondContact O-CG1 3.41Å; A116-I120 PolarHBondContact O-N 3.07Å
117S90.2Very high89.9Confident6 Ų638.4 Ų38.44%0.04221%0.205CC..Hα-helixtrans-63.7-43.1177.180.90000111.6M113 D114 I115 V119 I120 I121M113-S117 PolarHBondContact O-N 3.37Å; D114-S117 PolarHBondContact O-OG 3.23Å; I115-S117 VanDerWaalsContact C-N 3.28Å; I115-S117 PolarHBondContact O-N 3.48Å; S117-V119 PolarHBondContact O-N 2.85Å; S117-I120 PolarHBondContact O-N 3.05Å; S117-I121 WeakPolarHBondContact O-CG1 3.47Å; S117-I121 PolarHBondContact O-N 3.38Å
118G88.5Confident89.8Confident14 Ų1440.3 Ų40.314%0.14422%0.215CC..Hα-helixtrans-62.2-39.5174.900000113.6D114 I115 I121 W122D114-G118 PolarHBondContact O-N 2.96Å; I115-G118 PolarHBondContact O-N 2.8Å; G118-I121 PolarHBondContact O-N 3.32Å; G118-W122 WeakPolarHBondContact O-CB 3.12Å; G118-W122 PolarHBondContact O-N 3.32Å
119V91.4Very high89.5Confident54 Ų5447.6 Ų47.633%0.32724%0.239SC..Hα-helixtrans-63.7-44.8173.3171.90000110.7F82 I115 A116 S117 I121 W122 I123F82-V119 HydrophobicContact CE2-CG2 3.79Å; F82-V119 HydrophobicContact CZ-CG2 3.85Å; I115-V119 HydrophobicContact CG2-CG2 4.46Å; I115-V119 WeakPolarHBondContact O-CG2 3.39Å; I115-V119 PolarHBondContact O-N 3.13Å; A116-V119 PolarHBondContact O-N 3.45Å; S117-V119 PolarHBondContact O-N 2.85Å; V119-I121 PolarHBondContact O-N 2.68Å; V119-W122 PolarHBondContact O-N 3.4Å; V119-I123 HydrophobicContact CG1-CD1 3.8Å; V119-I123 HydrophobicContact CG1-CG1 4.36Å; V119-I123 WeakPolarHBondContact O-CG1 3.38Å; V119-I123 PolarHBondContact O-N 3Å
120I92.6Very high89.1Confident35 Ų3552.1 Ų52.118%0.17926%0.255CS..Hα-helixtrans-61.9-44.6177.9-68.2163.2000110.8A116 S117 W122 I123 S124 I150 I151 I154A116-I120 VanDerWaalsContact O-CG1 3.28Å; A116-I120 WeakPolarHBondContact O-CG1 3.41Å; A116-I120 PolarHBondContact O-N 3.07Å; S117-I120 PolarHBondContact O-N 3.05Å; I120-W122 VanDerWaalsContact C-N 3.32Å; I120-W122 PolarHBondContact O-N 2.94Å; I120-I123 PolarHBondContact O-N 3.48Å; I120-S124 WeakPolarHBondContact O-CB 3.29Å; I120-S124 PolarHBondContact O-N 3.09Å; I120-I150 HydrophobicContact CD1-CG2 4.31Å; I120-I151 HydrophobicContact CB-CD1 4.19Å; I120-I151 HydrophobicContact CB-CG1 4.07Å; I120-I151 HydrophobicContact CD1-CG1 3.97Å; I120-I151 HydrophobicContact CG2-CD1 3.92Å; I120-I151 HydrophobicContact CG2-CG1 3.84Å; I120-I154 HydrophobicContact CD1-CD1 3.59Å
121I88.9Confident88.4Confident19 Ų1961.7 Ų61.710%0.09729%0.291CS..Hα-helixtrans-61.5-41.8175.5-68.8168.8000110.6S117 G118 V119 S124 S125 I151S117-I121 WeakPolarHBondContact O-CG1 3.47Å; S117-I121 PolarHBondContact O-N 3.38Å; G118-I121 PolarHBondContact O-N 3.32Å; V119-I121 PolarHBondContact O-N 2.68Å; I121-S124 PolarHBondContact O-N 3.45Å; I121-S125 VanDerWaalsContact O-CB 3.22Å; I121-S125 WeakPolarHBondContact O-CB 3.41Å; I121-S125 PolarHBondContact O-N 2.76Å; I121-I151 HydrophobicContact CD1-CD1 4.2Å; I121-I151 HydrophobicContact CG1-CD1 3.76Å
122W87.9Confident88Confident147 Ų14764.2 Ų64.256%0.55730%0.304SS*.Hα-helixtrans-63.6-46.3177.8176.476.3000112.3G118 V119 I120 S125 R126G118-W122 WeakPolarHBondContact O-CB 3.12Å; G118-W122 PolarHBondContact O-N 3.32Å; V119-W122 PolarHBondContact O-N 3.4Å; I120-W122 VanDerWaalsContact C-N 3.32Å; I120-W122 PolarHBondContact O-N 2.94Å; W122-S125 PolarHBondContact O-N 3.46Å; W122-R126 WeakPolarHBondContact O-CB 3.42Å; W122-R126 PolarHBondContact O-N 2.96Å
123I91.5Very high87.7Confident94 Ų9469.3 Ų69.348%0.48233%0.325SS..Hα-helixtrans-61.8-47.3175.8-67.3171.3000110.1V119 I120 R126 A127V119-I123 HydrophobicContact CG1-CD1 3.8Å; V119-I123 HydrophobicContact CG1-CG1 4.36Å; V119-I123 WeakPolarHBondContact O-CG1 3.38Å; V119-I123 PolarHBondContact O-N 3Å; I120-I123 PolarHBondContact O-N 3.48Å; I123-R126 PolarHBondContact O-N 3.36Å; I123-A127 WeakPolarHBondContact O-CB 3.22Å; I123-A127 PolarHBondContact O-N 3.12Å
124S90Very high87.4Confident8 Ų878.1 Ų78.16%0.05636%0.355CS..Hα-helixtrans-59-49.7178.4-176.40000111.3I120 I121 R126 A127 I128 L143 S147I120-S124 WeakPolarHBondContact O-CB 3.29Å; I120-S124 PolarHBondContact O-N 3.09Å; I121-S124 PolarHBondContact O-N 3.45Å; S124-R126 VanDerWaalsContact C-N 3.33Å; S124-R126 PolarHBondContact O-N 2.84Å; S124-A127 WeakPolarHBondContact O-CB 3.41Å; S124-A127 PolarHBondContact O-N 3.37Å; S124-A127 VanDerWaalsContact O-N 3.11Å; S124-I128 WeakPolarHBondContact O-CD1 3.46Å; S124-I128 VanDerWaalsContact O-CG1 3.23Å; S124-I128 WeakPolarHBondContact O-CG1 3.2Å; S124-I128 PolarHBondContact O-N 3.37Å; S124-L143 PolarHBondContact OG-O 3.21Å; S124-S147 WeakPolarHBondContact OG-CB 3.29Å; S124-S147 PolarHBondContact OG-OG 3.25Å; S124-S147 VanDerWaalsContact OG-OG 3.07Å
125S85.9Confident87.3Confident29 Ų2981.7 Ų81.720%0.20338%0.381CS..Hα-helixtrans-59.9-41.4176.8-175.40000112.3I121 W122 I128 R129I121-S125 VanDerWaalsContact O-CB 3.22Å; I121-S125 WeakPolarHBondContact O-CB 3.41Å; I121-S125 PolarHBondContact O-N 2.76Å; W122-S125 PolarHBondContact O-N 3.46Å; S125-I128 PolarHBondContact O-N 2.99Å; S125-R129 WeakPolarHBondContact O-CG 3.44Å; S125-R129 PolarHBondContact O-N 2.86Å; S125-R129 VanDerWaalsContact O-N 3.14Å
126R87.8Confident87Confident158 Ų15885.5 Ų85.560%0.59639%0.394SS*.Hα-helixtrans-64.5-41.2174.9-175.6176.917785.11.1111.6W122 I123 S124 R129 K130W122-R126 WeakPolarHBondContact O-CB 3.42Å; W122-R126 PolarHBondContact O-N 2.96Å; I123-R126 PolarHBondContact O-N 3.36Å; S124-R126 VanDerWaalsContact C-N 3.33Å; S124-R126 PolarHBondContact O-N 2.84Å; R126-R129 PolarHBondContact O-N 2.87Å; R126-K130 PolarHBondContact O-N 3.06Å
127A89.1Confident86.7Confident24 Ų2488.1 Ų88.120%0.19841%0.408CS..Hα-helixtrans-67-40.517800000112.2I123 S124 R129 K130 R140 L143I123-A127 WeakPolarHBondContact O-CB 3.22Å; I123-A127 PolarHBondContact O-N 3.12Å; S124-A127 WeakPolarHBondContact O-CB 3.41Å; S124-A127 PolarHBondContact O-N 3.37Å; S124-A127 VanDerWaalsContact O-N 3.11Å; A127-R129 VanDerWaalsContact C-N 3.33Å; A127-R129 PolarHBondContact O-N 3.3Å; A127-K130 PolarHBondContact O-N 3.39Å; A127-R140 VanDerWaalsContact O-CD 3.28Å; A127-R140 WeakPolarHBondContact O-CD 3.45Å; A127-L143 HydrophobicContact CB-CD1 3.75Å
128I86.7Confident86.3Confident40 Ų4094.3 Ų94.321%0.20543%0.43CS..Hα-helixtrans-62.7-39.3176.8-67.7160.9000111.2S124 S125 K130 R140 L143 E144S124-I128 WeakPolarHBondContact O-CD1 3.46Å; S124-I128 VanDerWaalsContact O-CG1 3.23Å; S124-I128 WeakPolarHBondContact O-CG1 3.2Å; S124-I128 PolarHBondContact O-N 3.37Å; S125-I128 PolarHBondContact O-N 2.99Å; I128-K130 VanDerWaalsContact C-N 3.3Å; I128-K130 PolarHBondContact O-N 2.9Å; I128-R140 WeakPolarHBondContact CG1-O 3.37Å; I128-L143 HydrophobicContact CG1-CB 4.12Å; I128-E144 HydrophobicContact CD1-CB 3.86Å
129R83.6Confident86.1Confident180 Ų18094.9 Ų94.968%0.67944%0.437SS*.Hα-helixtrans-68.2-25.9178.5-77.3-179.959.6-118.5-5.7113.8S125 R126 A127 R131S125-R129 WeakPolarHBondContact O-CG 3.44Å; S125-R129 PolarHBondContact O-N 2.86Å; S125-R129 VanDerWaalsContact O-N 3.14Å; R126-R129 PolarHBondContact O-N 2.87Å; A127-R129 VanDerWaalsContact C-N 3.33Å; A127-R129 PolarHBondContact O-N 3.3Å; R129-R131 PolarHBondContact O-N 3.02Å; R129-R131 VanDerWaalsContact O-N 3.12Å
130K83Confident85.9Confident139 Ų13994.5 Ų94.560%0.60443%0.429SS*.  trans-77.398.6178.3-168.6179-179.4-176.10108.9R126 A127 I128 D132R126-K130 PolarHBondContact O-N 3.06Å; A127-K130 PolarHBondContact O-N 3.39Å; I128-K130 VanDerWaalsContact C-N 3.3Å; I128-K130 PolarHBondContact O-N 2.9Å; K130-D132 PolarHBondContact O-N 3.38Å
131R75.5Confident85.5Confident211 Ų21194.4 Ų94.480%0.79643%0.43SS*.  trans-76.1116.4172.8-77.7-175.1153.1132.5-4.3109.7R129R129-R131 PolarHBondContact O-N 3.02Å; R129-R131 VanDerWaalsContact O-N 3.12Å
132D81.7Confident85.5Confident54 Ų54100.3 Ų100.329%0.28945%0.451SS..  trans-128.895.2171.2-179.9-3.2000107.7K130 R134 S135 Y136K130-D132 PolarHBondContact O-N 3.38Å; D132-R134 PolarHBondContact O-N 3.42Å; D132-R134 PolarHBondContact OD1-N 3.44Å; D132-S135 PolarHBondContact OD1-N 2.84Å; D132-Y136 CarbonylContact O-C 3.58Å; D132-Y136 WeakPolarHBondContact O-CA 3.32Å; D132-Y136 PolarHBondContact O-N 3.38Å
133L83.9Confident85.6Confident133 Ų13395.7 Ų95.770%0.69644%0.437SS*.THydrogen-bonded Turntrans-67.3-22.6-174.8-71.6164.5000112.6P137L133-P137 WeakPolarHBondContact O-CA 3.45Å; L133-P137 WeakPolarHBondContact O-CG 3.42Å
134R85.7Confident85.4Confident233 Ų23392.5 Ų92.588%0.87942%0.42SS*.THydrogen-bonded Turntrans-75-47-178.3-174.7178179.7179.60.3111.2D132D132-R134 PolarHBondContact O-N 3.42Å; D132-R134 PolarHBondContact OD1-N 3.44Å
135S86.9Confident85.5Confident77 Ų7792.1 Ų92.154%0.53842%0.418SS..THydrogen-bonded Turntrans-87.6-30.3179.3-63.60000112.9D132D132-S135 PolarHBondContact OD1-N 2.84Å
136Y85.6Confident85.8Confident105 Ų10594.5 Ų94.541%0.41243%0.428SS..  trans-133.377.8-177.8-62.6-89.8000110.1D132 R138 G139 R140D132-Y136 CarbonylContact O-C 3.58Å; D132-Y136 WeakPolarHBondContact O-CA 3.32Å; D132-Y136 PolarHBondContact O-N 3.38Å; Y136-R138 PolarHBondContact O-N 2.85Å; Y136-R138 VanDerWaalsContact O-N 3.16Å; Y136-G139 WeakPolarHBondContact O-CA 3.44Å; Y136-G139 PolarHBondContact O-N 2.89Å; Y136-R140 HydrophobicContact CD1-CG 3.85Å; Y136-R140 HydrophobicContact CD2-CG 4.07Å; Y136-R140 VanDerWaalsContact CD2-NH2 3.35Å; Y136-R140 HydrophobicContact CE1-CG 4.38Å; Y136-R140 VanDerWaalsContact CE2-CZ 3.49Å; Y136-R140 VanDerWaalsContact CE2-NE 3.29Å; Y136-R140 HydrophobicContact CG-CG 3.67Å
137P85.1Confident86.1Confident90 Ų9087.3 Ų87.358%0.58440%0.402SS*.THydrogen-bonded Turntrans-56.8-34.2-177.2-25.333.3000113.5L133 G139L133-P137 WeakPolarHBondContact O-CA 3.45Å; L133-P137 WeakPolarHBondContact O-CG 3.42Å; P137-G139 VanDerWaalsContact C-N 3.34Å
138R81.4Confident86.3Confident136 Ų13686.1 Ų86.151%0.51339%0.392SS..THydrogen-bonded Turntrans-90.24.1177.7-60.7-62.6-176.2177.60113.5Y136Y136-R138 PolarHBondContact O-N 2.85Å; Y136-R138 VanDerWaalsContact O-N 3.16Å
139G84.5Confident86.6Confident27 Ų2785.7 Ų85.728%0.27839%0.391SS..  trans78.7-166.6-172.800000112.9Y136 P137Y136-G139 WeakPolarHBondContact O-CA 3.44Å; Y136-G139 PolarHBondContact O-N 2.89Å; P137-G139 VanDerWaalsContact C-N 3.34Å
140R86.3Confident87.1Confident46 Ų4681 Ų8117%0.17438%0.378CS..SBendtrans-121.617.4-167.6-70.6180179.9-169.24.1113.4A127 I128 Y136 R142 L143A127-R140 VanDerWaalsContact O-CD 3.28Å; A127-R140 WeakPolarHBondContact O-CD 3.45Å; I128-R140 WeakPolarHBondContact CG1-O 3.37Å; Y136-R140 HydrophobicContact CD1-CG 3.85Å; Y136-R140 HydrophobicContact CD2-CG 4.07Å; Y136-R140 VanDerWaalsContact CD2-NH2 3.35Å; Y136-R140 HydrophobicContact CE1-CG 4.38Å; Y136-R140 VanDerWaalsContact CE2-CZ 3.49Å; Y136-R140 VanDerWaalsContact CE2-NE 3.29Å; Y136-R140 HydrophobicContact CG-CG 3.67Å; R140-R142 PolarHBondContact O-N 3.14Å; R140-R142 VanDerWaalsContact O-N 3.14Å; R140-L143 HydrophobicContact CB-CD1 3.88Å; R140-L143 HydrophobicContact CB-CG 4.22Å; R140-L143 HydrophobicContact CG-CD1 4.31Å; R140-L143 VanDerWaalsContact O-CB 3.29Å; R140-L143 WeakPolarHBondContact O-CB 3.42Å; R140-L143 WeakPolarHBondContact O-CG 3.4Å; R140-L143 PolarHBondContact O-N 3.16Å
141T85.4Confident87.7Confident32 Ų3274.5 Ų74.520%0.19635%0.35CS..THydrogen-bonded Turntrans-54.2-32.5-179.849.70000112.7L143 E144 E341T141-L143 PolarHBondContact O-N 3.32Å; T141-L143 VanDerWaalsContact O-N 3.14Å; T141-E144 WeakPolarHBondContact O-CB 3.42Å; T141-E144 PolarHBondContact O-N 3.35Å; T141-E341 PolarHBondContact OG1-OE1 2.98Å; T141-E341 VanDerWaalsContact OG1-OE1 3.04Å; T141-E341 PolarHBondContact OG1-OE2 3.02Å
142R87.3Confident88.5Confident144 Ų14464.7 Ų64.754%0.54331%0.314SS..THydrogen-bonded Turntrans-61-19.4175.1-55.7-168.1-16817810.2114.8R140 E144 P145 F302R140-R142 PolarHBondContact O-N 3.14Å; R140-R142 VanDerWaalsContact O-N 3.14Å; R142-E144 PolarHBondContact O-N 3.34Å; R142-P145 WeakPolarHBondContact O-CD 3.49Å; R142-F302 HydrophobicContact CG-CE1 4.4Å; R142-F302 VanDerWaalsContact CZ-CZ 3.44Å
143L90.6Very high89.2Confident49 Ų4969.5 Ų69.526%0.25733%0.333SS..Hα-helixtrans-66.3-22.3174.5-64.9-178.4000112.3S124 A127 I128 R140 T141 L146 S147S124-L143 PolarHBondContact OG-O 3.21Å; A127-L143 HydrophobicContact CB-CD1 3.75Å; I128-L143 HydrophobicContact CG1-CB 4.12Å; R140-L143 HydrophobicContact CB-CD1 3.88Å; R140-L143 HydrophobicContact CB-CG 4.22Å; R140-L143 HydrophobicContact CG-CD1 4.31Å; R140-L143 VanDerWaalsContact O-CB 3.29Å; R140-L143 WeakPolarHBondContact O-CB 3.42Å; R140-L143 WeakPolarHBondContact O-CG 3.4Å; R140-L143 PolarHBondContact O-N 3.16Å; T141-L143 PolarHBondContact O-N 3.32Å; T141-L143 VanDerWaalsContact O-N 3.14Å; L143-L146 HydrophobicContact CD2-CD2 4.1Å; L143-S147 VanDerWaalsContact O-CB 3.29Å; L143-S147 WeakPolarHBondContact O-CB 3.48Å; L143-S147 PolarHBondContact O-N 2.91Å; L143-S147 PolarHBondContact O-OG 3Å
144E88.1Confident89.7Confident27 Ų2765.6 Ų65.613%0.12631%0.312CS..Hα-helixtrans-63.2-63.5-179.8-169.7174.9176.100111.6I128 T141 R142 L146 S147 L148 N208 T304I128-E144 HydrophobicContact CD1-CB 3.86Å; T141-E144 WeakPolarHBondContact O-CB 3.42Å; T141-E144 PolarHBondContact O-N 3.35Å; R142-E144 PolarHBondContact O-N 3.34Å; E144-L146 PolarHBondContact O-N 2.91Å; E144-S147 PolarHBondContact O-N 2.89Å; E144-S147 VanDerWaalsContact O-N 3.12Å; E144-S147 PolarHBondContact O-OG 3.2Å; E144-L148 WeakPolarHBondContact O-CG 3.42Å; E144-L148 PolarHBondContact O-N 3.45Å; E144-N208 VanDerWaalsContact CG-OD1 3.31Å; E144-N208 WeakPolarHBondContact CG-OD1 3.46Å; E144-N208 PolarHBondContact OE1-N 3.48Å; E144-N208 PolarHBondContact OE1-ND2 3.02Å; E144-N208 PolarHBondContact OE1-OD1 3.27Å; E144-T304 HydrophobicContact CB-CG2 4.16Å; E144-T304 HydrophobicContact CG-CG2 3.86Å; E144-T304 WeakPolarHBondContact OE2-CG2 3.41Å; E144-T304 PolarHBondContact OE2-OG1 2.85Å
145P91.4Very high90Very high1 Ų154.7 Ų54.71%0.00627%0.271CS..Hα-helixtrans-62.5-31.6177.427.1-36.5000112.8R142 S147 L148 V149 I266 I267R142-P145 WeakPolarHBondContact O-CD 3.49Å; P145-S147 PolarHBondContact O-N 3.07Å; P145-L148 WeakPolarHBondContact O-CB 3.5Å; P145-L148 PolarHBondContact O-N 2.83Å; P145-V149 PolarHBondContact O-N 2.9Å; P145-I266 HydrophobicContact CB-CG2 4.4Å; P145-I267 HydrophobicContact CB-CD1 4.2Å; P145-I267 HydrophobicContact CB-CG1 3.77Å; P145-I267 HydrophobicContact CG-CG1 3.89Å
146L93.2Very high90.3Very high79 Ų7951.5 Ų51.541%0.41425%0.251SS..Hα-helixtrans-60.8-44.9174.4-17963.5000111.7L143 E144 L148 V149 I150 I267L143-L146 HydrophobicContact CD2-CD2 4.1Å; E144-L146 PolarHBondContact O-N 2.91Å; L146-L148 VanDerWaalsContact C-N 3.25Å; L146-L148 PolarHBondContact O-N 3.45Å; L146-V149 WeakPolarHBondContact O-CB 3.02Å; L146-V149 PolarHBondContact O-N 3.21Å; L146-V149 VanDerWaalsContact O-N 3.16Å; L146-I150 HydrophobicContact CG-CD1 4.48Å; L146-I150 WeakPolarHBondContact O-CG1 3.5Å; L146-I150 PolarHBondContact O-N 3.49Å; L146-I150 VanDerWaalsContact O-N 3.1Å; L146-I267 HydrophobicContact CB-CD1 4.29Å; L146-I267 HydrophobicContact CD1-CD1 4.45Å
147S92.8Very high90.7Very high6 Ų648.6 Ų48.64%0.04225%0.246CC..Hα-helixtrans-62.1-34.6176.365.60000112.1S124 L143 E144 P145 I150 I151S124-S147 WeakPolarHBondContact OG-CB 3.29Å; S124-S147 PolarHBondContact OG-OG 3.25Å; S124-S147 VanDerWaalsContact OG-OG 3.07Å; L143-S147 VanDerWaalsContact O-CB 3.29Å; L143-S147 WeakPolarHBondContact O-CB 3.48Å; L143-S147 PolarHBondContact O-N 2.91Å; L143-S147 PolarHBondContact O-OG 3Å; E144-S147 PolarHBondContact O-N 2.89Å; E144-S147 VanDerWaalsContact O-N 3.12Å; E144-S147 PolarHBondContact O-OG 3.2Å; P145-S147 PolarHBondContact O-N 3.07Å; S147-I150 PolarHBondContact O-N 3.05Å; S147-I151 WeakPolarHBondContact O-CD1 3.29Å; S147-I151 VanDerWaalsContact O-CG1 3.25Å; S147-I151 WeakPolarHBondContact O-CG1 3.34Å; S147-I151 PolarHBondContact O-N 2.65Å
148L92.5Very high91.1Very high0 Ų044.5 Ų44.50%022%0.22CC..Hα-helixtrans-69.7-32.3175.3-58.9176.5000113.1E144 P145 L146 I151 S152 C207 I211 Q263E144-L148 WeakPolarHBondContact O-CG 3.42Å; E144-L148 PolarHBondContact O-N 3.45Å; P145-L148 WeakPolarHBondContact O-CB 3.5Å; P145-L148 PolarHBondContact O-N 2.83Å; L146-L148 VanDerWaalsContact C-N 3.25Å; L146-L148 PolarHBondContact O-N 3.45Å; L148-I151 HydrophobicContact CD2-CD1 4.31Å; L148-S152 WeakPolarHBondContact O-CB 3.39Å; L148-S152 PolarHBondContact O-N 3.46Å; L148-S152 PolarHBondContact O-OG 3.25Å; L148-C207 VanDerWaalsContact CD1-SG 3.56Å; L148-I211 HydrophobicContact CD1-CG1 3.76Å; L148-I211 HydrophobicContact CD2-CB 3.96Å; L148-I211 HydrophobicContact CD2-CG1 3.79Å; L148-I211 HydrophobicContact CD2-CG2 4.01Å; L148-I211 HydrophobicContact CG-CG1 4.27Å; L148-Q263 HydrophobicContact CB-CB 4.5Å; L148-Q263 HydrophobicContact CB-CG 3.83Å; L148-Q263 HydrophobicContact CD1-CG 4.36Å
149V94.3Very high91.7Very high30 Ų3038.4 Ų38.418%0.18220%0.198CC..Hα-helixtrans-65.3-46171.2174.10000110.5P145 L146 I151 S152 F153 Q263 M264 I267P145-V149 PolarHBondContact O-N 2.9Å; L146-V149 WeakPolarHBondContact O-CB 3.02Å; L146-V149 PolarHBondContact O-N 3.21Å; L146-V149 VanDerWaalsContact O-N 3.16Å; V149-I151 VanDerWaalsContact C-N 3.34Å; V149-I151 PolarHBondContact O-N 3.05Å; V149-S152 WeakPolarHBondContact O-CB 3.38Å; V149-S152 PolarHBondContact O-N 3.48Å; V149-F153 PolarHBondContact O-N 2.8Å; V149-Q263 HydrophobicContact CG2-CB 3.57Å; V149-M264 HydrophobicContact CG1-CG 3.98Å; V149-M264 HydrophobicContact CG2-CG 3.82Å; V149-I267 HydrophobicContact CG2-CD1 3.71Å
150I94.7Very high92.1Very high81 Ų8139.8 Ų39.842%0.41520%0.201SC..Hα-helixtrans-60.2-45.1177.7-64168.6000110.6I120 L146 S147 S152 F153 I154I120-I150 HydrophobicContact CD1-CG2 4.31Å; L146-I150 HydrophobicContact CG-CD1 4.48Å; L146-I150 WeakPolarHBondContact O-CG1 3.5Å; L146-I150 PolarHBondContact O-N 3.49Å; L146-I150 VanDerWaalsContact O-N 3.1Å; S147-I150 PolarHBondContact O-N 3.05Å; I150-S152 PolarHBondContact O-N 3.5Å; I150-F153 PolarHBondContact O-N 3.17Å; I150-I154 HydrophobicContact CG2-CD1 3.84Å; I150-I154 HydrophobicContact CG2-CG1 4.5Å; I150-I154 WeakPolarHBondContact O-CG1 3.46Å; I150-I154 PolarHBondContact O-N 3.46Å
151I94Very high92.5Very high3 Ų343.1 Ų43.12%0.01522%0.218CC..Hα-helixtrans-59.4-48.2175.9-69.8164.2000110.6I120 I121 S147 L148 V149 F153 I154 M155 W256I120-I151 HydrophobicContact CB-CD1 4.19Å; I120-I151 HydrophobicContact CB-CG1 4.07Å; I120-I151 HydrophobicContact CD1-CG1 3.97Å; I120-I151 HydrophobicContact CG2-CD1 3.92Å; I120-I151 HydrophobicContact CG2-CG1 3.84Å; I121-I151 HydrophobicContact CD1-CD1 4.2Å; I121-I151 HydrophobicContact CG1-CD1 3.76Å; S147-I151 WeakPolarHBondContact O-CD1 3.29Å; S147-I151 VanDerWaalsContact O-CG1 3.25Å; S147-I151 WeakPolarHBondContact O-CG1 3.34Å; S147-I151 PolarHBondContact O-N 2.65Å; L148-I151 HydrophobicContact CD2-CD1 4.31Å; V149-I151 VanDerWaalsContact C-N 3.34Å; V149-I151 PolarHBondContact O-N 3.05Å; I151-F153 VanDerWaalsContact C-N 3.26Å; I151-F153 PolarHBondContact O-N 2.98Å; I151-I154 PolarHBondContact O-N 3.28Å; I151-M155 HydrophobicContact CG2-CG 3.96Å; I151-M155 WeakPolarHBondContact O-CB 3.48Å; I151-M155 VanDerWaalsContact O-CG 3.22Å; I151-M155 WeakPolarHBondContact O-CG 3.41Å; I151-M155 PolarHBondContact O-N 3.01Å; I151-W256 HydrophobicContact CG2-CH2 4.37Å; I151-W256 HydrophobicContact CG2-CZ3 4.03Å
152S93.9Very high92.8Very high5 Ų542.2 Ų42.24%0.03521%0.213CC..Hα-helixtrans-58.5-39.3179.4-59.40000112.1L148 V149 I150 G156 W256 G260L148-S152 WeakPolarHBondContact O-CB 3.39Å; L148-S152 PolarHBondContact O-N 3.46Å; L148-S152 PolarHBondContact O-OG 3.25Å; V149-S152 WeakPolarHBondContact O-CB 3.38Å; V149-S152 PolarHBondContact O-N 3.48Å; I150-S152 PolarHBondContact O-N 3.5Å; S152-G156 PolarHBondContact O-N 3.29Å; S152-W256 WeakPolarHBondContact CB-O 3.21Å; S152-G260 PolarHBondContact OG-N 2.78Å
153F94.9Very high93.1Very high155 Ų15536.8 Ų36.868%0.6819%0.194SC*.Hα-helixtrans-67.4-46.8176.3-178.7-101000112.2V149 I150 I151 G156 S157V149-F153 PolarHBondContact O-N 2.8Å; I150-F153 PolarHBondContact O-N 3.17Å; I151-F153 VanDerWaalsContact C-N 3.26Å; I151-F153 PolarHBondContact O-N 2.98Å; F153-G156 PolarHBondContact O-N 2.97Å; F153-S157 VanDerWaalsContact O-CB 3.31Å; F153-S157 WeakPolarHBondContact O-CB 3.24Å; F153-S157 PolarHBondContact O-N 3Å; F153-S157 PolarHBondContact O-OG 2.98Å
154I94.3Very high93.3Very high51 Ų5140.7 Ų40.726%0.26221%0.209SC..Hα-helixtrans-61.5-51.2178.4-68.5169.4000110.5M113 I120 I150 I151 G156 S157 A158M113-I154 HydrophobicContact SD-CG2 3.89Å; I120-I154 HydrophobicContact CD1-CD1 3.59Å; I150-I154 HydrophobicContact CG2-CD1 3.84Å; I150-I154 HydrophobicContact CG2-CG1 4.5Å; I150-I154 WeakPolarHBondContact O-CG1 3.46Å; I150-I154 PolarHBondContact O-N 3.46Å; I151-I154 PolarHBondContact O-N 3.28Å; I154-G156 VanDerWaalsContact C-N 3.35Å; I154-G156 PolarHBondContact O-N 3.32Å; I154-S157 PolarHBondContact O-N 3.4Å; I154-S157 PolarHBondContact O-OG 2.79Å; I154-A158 WeakPolarHBondContact O-CB 3.49Å; I154-A158 PolarHBondContact O-N 3.33Å
155M92.5Very high93.4Very high4 Ų446.1 Ų46.12%0.0223%0.232CC..Hα-helixtrans-61-42.3179.3-62.4-64-73.800112M113 I151 S159 W256M113-M155 HydrophobicContact CB-CE 3.94Å; M113-M155 HydrophobicContact CB-SD 3.22Å; M113-M155 WeakPolarHBondContact CB-SD 3.23Å; M113-M155 HydrophobicContact CG-SD 4.3Å; I151-M155 HydrophobicContact CG2-CG 3.96Å; I151-M155 WeakPolarHBondContact O-CB 3.48Å; I151-M155 VanDerWaalsContact O-CG 3.22Å; I151-M155 WeakPolarHBondContact O-CG 3.41Å; I151-M155 PolarHBondContact O-N 3.01Å; M155-S159 WeakPolarHBondContact O-CB 3.31Å; M155-S159 PolarHBondContact O-N 2.91Å; M155-S159 PolarHBondContact O-OG 3.42Å; M155-W256 HydrophobicContact CB-CB 4.23Å; M155-W256 VanDerWaalsContact CB-CD1 3.47Å; M155-W256 HydrophobicContact CB-CD2 3.53Å; M155-W256 HydrophobicContact CB-CE3 4.19Å; M155-W256 HydrophobicContact CB-CG 3.5Å; M155-W256 HydrophobicContact CB-CZ2 4.29Å; M155-W256 HydrophobicContact CE-CH2 4.46Å; M155-W256 HydrophobicContact CE-CZ2 3.54Å; M155-W256 HydrophobicContact CG-CD2 3.83Å; M155-W256 HydrophobicContact CG-CE3 4.15Å; M155-W256 HydrophobicContact CG-CG 4.34Å; M155-W256 HydrophobicContact CG-CH2 4.12Å; M155-W256 HydrophobicContact CG-CZ2 3.82Å; M155-W256 HydrophobicContact CG-CZ3 4.28Å; M155-W256 HydrophobicContact SD-CZ2 4.36Å
156G93.8Very high93.3Very high11 Ų1146.1 Ų46.111%0.11323%0.233CC..Hα-helixtrans-62.7-45.8175.600000112.2S152 F153 I154 A158 S159 V160S152-G156 PolarHBondContact O-N 3.29Å; F153-G156 PolarHBondContact O-N 2.97Å; I154-G156 VanDerWaalsContact C-N 3.35Å; I154-G156 PolarHBondContact O-N 3.32Å; G156-A158 PolarHBondContact O-N 3.46Å; G156-S159 WeakPolarHBondContact O-CB 3.45Å; G156-S159 PolarHBondContact O-N 2.94Å; G156-V160 WeakPolarHBondContact O-CG2 3.49Å; G156-V160 PolarHBondContact O-N 3.3Å
157S94Very high93.3Very high44 Ų4445 Ų4531%0.30823%0.228SC..Hα-helixtrans-64.5-40.3178.5740000112.6F153 I154 V160 Q161F153-S157 VanDerWaalsContact O-CB 3.31Å; F153-S157 WeakPolarHBondContact O-CB 3.24Å; F153-S157 PolarHBondContact O-N 3Å; F153-S157 PolarHBondContact O-OG 2.98Å; I154-S157 PolarHBondContact O-N 3.4Å; I154-S157 PolarHBondContact O-OG 2.79Å; S157-V160 PolarHBondContact O-N 3.13Å; S157-Q161 WeakPolarHBondContact O-CG 3.24Å; S157-Q161 PolarHBondContact O-N 3.15Å
158A93.6Very high93.1Very high4 Ų448.9 Ų48.93%0.03325%0.249CC..Hα-helixtrans-60.9-46.1175.100000111.3V109 M113 I154 G156 V160 Q161 V162V109-A158 HydrophobicContact CG1-CB 4.49Å; M113-A158 HydrophobicContact CE-CB 3.48Å; M113-A158 VanDerWaalsContact CE-CB 3.48Å; M113-A158 HydrophobicContact CG-CB 3.67Å; M113-A158 HydrophobicContact SD-CB 3.82Å; I154-A158 WeakPolarHBondContact O-CB 3.49Å; I154-A158 PolarHBondContact O-N 3.33Å; G156-A158 PolarHBondContact O-N 3.46Å; A158-V160 VanDerWaalsContact C-N 3.29Å; A158-V160 PolarHBondContact O-N 2.97Å; A158-Q161 WeakPolarHBondContact O-CB 3.42Å; A158-Q161 PolarHBondContact O-N 3.47Å; A158-Q161 VanDerWaalsContact O-N 3.13Å; A158-V162 WeakPolarHBondContact O-CG2 3.38Å; A158-V162 PolarHBondContact O-N 3.3Å
159S92.7Very high92.8Very high7 Ų749 Ų495%0.04925%0.25CS..Hα-helixtrans-59.2-42176.8-570000111.2M155 G156 Q161 V162 I163 S249M155-S159 WeakPolarHBondContact O-CB 3.31Å; M155-S159 PolarHBondContact O-N 2.91Å; M155-S159 PolarHBondContact O-OG 3.42Å; G156-S159 WeakPolarHBondContact O-CB 3.45Å; G156-S159 PolarHBondContact O-N 2.94Å; S159-Q161 PolarHBondContact O-N 2.88Å; S159-V162 PolarHBondContact O-N 3.32Å; S159-I163 WeakPolarHBondContact O-CG1 3.4Å; S159-I163 PolarHBondContact O-N 3.28Å; S159-S249 WeakPolarHBondContact CB-O 3.45Å; S159-S249 WeakPolarHBondContact O-CB 3.4Å
160V94.1Very high92.5Very high57 Ų5750.7 Ų50.735%0.34526%0.258SS..Hα-helixtrans-63.7-39.6175.9170.80000112.1G156 S157 A158 V162 I163 F164G156-V160 WeakPolarHBondContact O-CG2 3.49Å; G156-V160 PolarHBondContact O-N 3.3Å; S157-V160 PolarHBondContact O-N 3.13Å; A158-V160 VanDerWaalsContact C-N 3.29Å; A158-V160 PolarHBondContact O-N 2.97Å; V160-V162 VanDerWaalsContact C-N 3.32Å; V160-V162 PolarHBondContact O-N 3Å; V160-I163 WeakPolarHBondContact O-CB 3.25Å; V160-I163 PolarHBondContact O-N 3.41Å; V160-F164 HydrophobicContact CG1-CD2 3.83Å; V160-F164 HydrophobicContact CG1-CE2 3.42Å; V160-F164 VanDerWaalsContact CG1-CE2 3.42Å; V160-F164 HydrophobicContact CG1-CZ 4.42Å; V160-F164 WeakPolarHBondContact O-CD2 3.39Å; V160-F164 PolarHBondContact O-N 3.1Å; V160-F164 VanDerWaalsContact O-N 3.07Å
161Q94.1Very high92.2Very high116 Ų11652.2 Ų52.254%0.54227%0.265SS..Hα-helixtrans-63.1-38.4175.1-68.5175.618.200112.3S157 A158 S159 I163 F164 K165S157-Q161 WeakPolarHBondContact O-CG 3.24Å; S157-Q161 PolarHBondContact O-N 3.15Å; A158-Q161 WeakPolarHBondContact O-CB 3.42Å; A158-Q161 PolarHBondContact O-N 3.47Å; A158-Q161 VanDerWaalsContact O-N 3.13Å; S159-Q161 PolarHBondContact O-N 2.88Å; Q161-I163 VanDerWaalsContact C-N 3.32Å; Q161-F164 PolarHBondContact O-N 3.48Å; Q161-K165 WeakPolarHBondContact O-CG 3.3Å; Q161-K165 PolarHBondContact O-N 3.23Å
162V92.2Very high91.6Very high13 Ų1360.7 Ų60.78%0.07930%0.299CS..Hα-helixtrans-65-37.9174.8178.10000111.1S106 V109 A158 S159 V160 K165 S166 S249S106-V162 WeakPolarHBondContact OG-CG1 3.28Å; V109-V162 HydrophobicContact CB-CG2 4.1Å; V109-V162 HydrophobicContact CG1-CG2 3.87Å; V109-V162 HydrophobicContact CG2-CG2 4.27Å; A158-V162 WeakPolarHBondContact O-CG2 3.38Å; A158-V162 PolarHBondContact O-N 3.3Å; S159-V162 PolarHBondContact O-N 3.32Å; V160-V162 VanDerWaalsContact C-N 3.32Å; V160-V162 PolarHBondContact O-N 3Å; V162-K165 PolarHBondContact O-N 3.5Å; V162-S166 VanDerWaalsContact O-CB 3.32Å; V162-S166 WeakPolarHBondContact O-CB 3.46Å; V162-S166 PolarHBondContact O-N 3.36Å; V162-S166 PolarHBondContact O-OG 3.05Å; V162-S249 WeakPolarHBondContact CG1-OG 3.4Å
163I94Very high90.5Very high29 Ų2965.3 Ų65.315%0.14932%0.323CS..Hα-helixtrans-58.4-51.6172.9-64.8168.3000110.2S159 V160 Q161 K165 S166 V167 L250S159-I163 WeakPolarHBondContact O-CG1 3.4Å; S159-I163 PolarHBondContact O-N 3.28Å; V160-I163 WeakPolarHBondContact O-CB 3.25Å; V160-I163 PolarHBondContact O-N 3.41Å; Q161-I163 VanDerWaalsContact C-N 3.32Å; I163-K165 VanDerWaalsContact C-N 3.33Å; I163-K165 PolarHBondContact O-N 3.23Å; I163-S166 PolarHBondContact O-N 3.32Å; I163-S166 VanDerWaalsContact O-N 3.15Å; I163-V167 HydrophobicContact CG2-CG2 4.16Å; I163-V167 VanDerWaalsContact O-CG2 3.31Å; I163-V167 WeakPolarHBondContact O-CG2 3.49Å; I163-V167 PolarHBondContact O-N 3.43Å; I163-L250 HydrophobicContact CD1-CD2 3.71Å; I163-L250 HydrophobicContact CD1-CG 3.91Å
164F93.5Very high89.1Confident131 Ų13164.2 Ų64.258%0.57532%0.324SS*.Hα-helixtrans-58.7-43.2179.5-75.4-63.3000112.5V160 Q161 V167 N168V160-F164 HydrophobicContact CG1-CD2 3.83Å; V160-F164 HydrophobicContact CG1-CE2 3.42Å; V160-F164 VanDerWaalsContact CG1-CE2 3.42Å; V160-F164 HydrophobicContact CG1-CZ 4.42Å; V160-F164 WeakPolarHBondContact O-CD2 3.39Å; V160-F164 PolarHBondContact O-N 3.1Å; V160-F164 VanDerWaalsContact O-N 3.07Å; Q161-F164 PolarHBondContact O-N 3.48Å; F164-V167 PolarHBondContact O-N 3.02Å; F164-N168 WeakPolarHBondContact O-CB 3.4Å; F164-N168 PolarHBondContact O-N 3.14Å; F164-N168 PolarHBondContact O-ND2 2.84Å
165K90.6Very high87.6Confident141 Ų14163.3 Ų63.361%0.61332%0.321SS*.Hα-helixtrans-62.8-42.5175.5-73.6-174.2178.4-175.90112.2Q161 V162 I163 N168 A169Q161-K165 WeakPolarHBondContact O-CG 3.3Å; Q161-K165 PolarHBondContact O-N 3.23Å; V162-K165 PolarHBondContact O-N 3.5Å; I163-K165 VanDerWaalsContact C-N 3.33Å; I163-K165 PolarHBondContact O-N 3.23Å; K165-N168 PolarHBondContact O-N 2.99Å; K165-A169 WeakPolarHBondContact O-CB 3.45Å; K165-A169 PolarHBondContact O-N 3.07Å
166S90.6Very high86.4Confident2 Ų271.5 Ų71.51%0.01436%0.356CS..Hα-helixtrans-69.7-36.3-179-53.40000112V162 I163 L170 A245 I246V162-S166 VanDerWaalsContact O-CB 3.32Å; V162-S166 WeakPolarHBondContact O-CB 3.46Å; V162-S166 PolarHBondContact O-N 3.36Å; V162-S166 PolarHBondContact O-OG 3.05Å; I163-S166 PolarHBondContact O-N 3.32Å; I163-S166 VanDerWaalsContact O-N 3.15Å; S166-L170 WeakPolarHBondContact O-CB 3.41Å; S166-L170 PolarHBondContact O-N 3.04Å; S166-A245 WeakPolarHBondContact OG-CB 3.26Å; S166-I246 VanDerWaalsContact CB-CG1 3.49Å
167V91.6Very high85.1Confident54 Ų5471.5 Ų71.533%0.32735%0.354SS..Hα-helixtrans-67.2-44.3173.4171.50000111I163 F164 A169 L170 I171 I246I163-V167 HydrophobicContact CG2-CG2 4.16Å; I163-V167 VanDerWaalsContact O-CG2 3.31Å; I163-V167 WeakPolarHBondContact O-CG2 3.49Å; I163-V167 PolarHBondContact O-N 3.43Å; F164-V167 PolarHBondContact O-N 3.02Å; V167-A169 VanDerWaalsContact C-N 3.33Å; V167-A169 PolarHBondContact O-N 3.35Å; V167-L170 WeakPolarHBondContact O-CB 3.4Å; V167-L170 PolarHBondContact O-N 3.43Å; V167-I171 HydrophobicContact CG1-CD1 4Å; V167-I171 WeakPolarHBondContact O-CG1 3.29Å; V167-I171 PolarHBondContact O-N 3.49Å; V167-I171 VanDerWaalsContact O-N 3.16Å; V167-I246 HydrophobicContact CG2-CD1 3.77Å; V167-I246 HydrophobicContact CG2-CG1 4.29Å
168N90.3Very high83.9Confident88 Ų8875.5 Ų75.547%0.47137%0.372SS..Hα-helixtrans-61-44.2175.8-77.6-20.4000111.3F164 K165 L170 I171 Y172F164-N168 WeakPolarHBondContact O-CB 3.4Å; F164-N168 PolarHBondContact O-N 3.14Å; F164-N168 PolarHBondContact O-ND2 2.84Å; K165-N168 PolarHBondContact O-N 2.99Å; N168-L170 VanDerWaalsContact C-N 3.27Å; N168-L170 PolarHBondContact O-N 3Å; N168-I171 PolarHBondContact O-N 3.39Å; N168-I171 VanDerWaalsContact O-N 3.13Å; N168-Y172 HydrophobicContact CB-CD2 4.48Å; N168-Y172 WeakPolarHBondContact O-CD2 3.01Å; N168-Y172 PolarHBondContact O-N 3.01Å
169A86.2Confident82.9Confident3 Ų376.6 Ų76.63%0.02538%0.377CS..Hα-helixtrans-63.7-34.9176.800000112L102 K165 V167 I171 D173 V175L102-A169 HydrophobicContact CD1-CB 3.32Å; L102-A169 HydrophobicContact CD2-CB 4.2Å; L102-A169 HydrophobicContact CG-CB 4.37Å; K165-A169 WeakPolarHBondContact O-CB 3.45Å; K165-A169 PolarHBondContact O-N 3.07Å; V167-A169 VanDerWaalsContact C-N 3.33Å; V167-A169 PolarHBondContact O-N 3.35Å; A169-I171 VanDerWaalsContact C-N 3.27Å; A169-I171 PolarHBondContact O-N 3.36Å; A169-D173 HydrophobicContact CB-CB 4.32Å; A169-D173 CarbonylContact O-C 3.5Å; A169-D173 WeakPolarHBondContact O-CA 3.49Å; A169-D173 PolarHBondContact O-N 3.15Å; A169-V175 HydrophobicContact CB-CG2 4.3Å
170L87.1Confident82.1Confident65 Ų6577.6 Ų77.634%0.3439%0.389SS..Hα-helixtrans-63.8-31.5174.8-169.571.6000113.1S166 V167 N168 Y239 P242 I243S166-L170 WeakPolarHBondContact O-CB 3.41Å; S166-L170 PolarHBondContact O-N 3.04Å; V167-L170 WeakPolarHBondContact O-CB 3.4Å; V167-L170 PolarHBondContact O-N 3.43Å; N168-L170 VanDerWaalsContact C-N 3.27Å; N168-L170 PolarHBondContact O-N 3Å; L170-Y239 HydrophobicContact CD1-CD1 3.71Å; L170-Y239 HydrophobicContact CD1-CG 4.43Å; L170-P242 HydrophobicContact CB-CB 4.38Å; L170-P242 HydrophobicContact CD1-CB 4.13Å; L170-P242 HydrophobicContact CD1-CG 4.3Å; L170-I243 HydrophobicContact CD1-CG1 4.43Å
171I88.2Confident81.5Confident113 Ų11381.7 Ų81.758%0.57941%0.407SS*.Hα-helixtrans-87.5-43.3-177.4-64.3167.9000111.8V167 N168 A169V167-I171 HydrophobicContact CG1-CD1 4Å; V167-I171 WeakPolarHBondContact O-CG1 3.29Å; V167-I171 PolarHBondContact O-N 3.49Å; V167-I171 VanDerWaalsContact O-N 3.16Å; N168-I171 PolarHBondContact O-N 3.39Å; N168-I171 VanDerWaalsContact O-N 3.13Å; A169-I171 VanDerWaalsContact C-N 3.27Å; A169-I171 PolarHBondContact O-N 3.36Å
172Y82.3Confident81Confident182 Ų18280.4 Ų80.471%0.71441%0.408SS*.Hα-helixtrans-107.4-31-167.8-63.9-72.6000114.2N168N168-Y172 HydrophobicContact CB-CD2 4.48Å; N168-Y172 WeakPolarHBondContact O-CD2 3.01Å; N168-Y172 PolarHBondContact O-N 3.01Å
173D71Confident80.6Confident101 Ų10180 Ų8054%0.5441%0.405SS..  trans-110.4122.4-168-67.2-35000111.7A169 V175A169-D173 HydrophobicContact CB-CB 4.32Å; A169-D173 CarbonylContact O-C 3.5Å; A169-D173 WeakPolarHBondContact O-CA 3.49Å; A169-D173 PolarHBondContact O-N 3.15Å; D173-V175 HydrophobicContact CB-CG2 3.66Å; D173-V175 PolarHBondContact O-N 3.3Å
174N64.6Low80.2Confident133 Ų13381 Ų8171%0.71141%0.41SS*.  trans-7871.5163.7-82.8-63.3000109.4K176N174-K176 PolarHBondContact O-N 3.07Å; N174-K176 VanDerWaalsContact O-N 3.12Å
175V64.1Low79.8Confident32 Ų3278.2 Ų78.219%0.19441%0.407CS..  trans-68.5110.5176-173.80000108.3G100 L102 A169 D173 P177G100-V175 WeakPolarHBondContact O-CG1 3.45Å; L102-V175 HydrophobicContact CD1-CG2 4.12Å; L102-V175 HydrophobicContact CG-CG1 4.49Å; L102-V175 HydrophobicContact CG-CG2 4.49Å; A169-V175 HydrophobicContact CB-CG2 4.3Å; D173-V175 HydrophobicContact CB-CG2 3.66Å; D173-V175 PolarHBondContact O-N 3.3Å; V175-P177 VanDerWaalsContact O-CD 3.3Å; V175-P177 WeakPolarHBondContact O-CD 3.33Å
176K66.1Low79.6Confident176 Ų17673.5 Ų73.577%0.76539%0.388SS*.  trans-94.4103.7167.3-70.3-175.5-179.2179.80107.2N174 D178N174-K176 PolarHBondContact O-N 3.07Å; N174-K176 VanDerWaalsContact O-N 3.12Å; K176-D178 PolarHBondContact O-N 2.95Å
177P67.4Low79.4Confident11 Ų1173.6 Ų73.67%0.07139%0.388CS..  trans-66119.3178.327.3-33.1000109V175 I179 D241V175-P177 VanDerWaalsContact O-CD 3.3Å; V175-P177 WeakPolarHBondContact O-CD 3.33Å; P177-I179 HydrophobicContact CB-CD1 4.03Å; P177-I179 HydrophobicContact CB-CG1 4.11Å; P177-D241 HydrophobicContact CG-CB 4.22Å
178D68.7Low79.3Confident128 Ų12872.8 Ų72.868%0.68439%0.387SS*.  trans-98.393173.4-171.44.9000108.8S99 K176 G180S99-D178 PolarHBondContact O-N 3Å; K176-D178 PolarHBondContact O-N 2.95Å; D178-G180 PolarHBondContact O-N 3.49Å
179I71.1Confident79.3Confident26 Ų2670.9 Ų70.913%0.13338%0.384CS..  trans-100.298.6-172.4-56.8156.3000108.5P177 I184 A230P177-I179 HydrophobicContact CB-CD1 4.03Å; P177-I179 HydrophobicContact CB-CG1 4.11Å; I179-I184 HydrophobicContact CG2-CD1 3.8Å; I179-I184 HydrophobicContact CG2-CG1 3.5Å; I179-I184 VanDerWaalsContact CG2-CG1 3.5Å; I179-A230 VanDerWaalsContact CD1-CA 3.46Å; I179-A230 HydrophobicContact CD1-CB 3.27Å; I179-A230 WeakPolarHBondContact CD1-O 3.31Å; I179-A230 HydrophobicContact CG1-CB 4.14Å
180G76Confident79.3Confident28 Ų2870.9 Ų70.929%0.28938%0.383SS..  trans-65.1152.2166.800000112.1D178 T182 T183 I184D178-G180 PolarHBondContact O-N 3.49Å; G180-T182 PolarHBondContact O-N 3.35Å; G180-T182 VanDerWaalsContact O-N 3.12Å; G180-T183 PolarHBondContact O-N 3.47Å; G180-I184 PolarHBondContact O-N 3.12Å
181I81.6Confident79.4Confident143 Ų14369.3 Ų69.373%0.73338%0.377SS*.Hα-helixtrans-52.3-33.5170.2-64.7163.8000110.4I184 S185I181-I184 PolarHBondContact O-N 3.16Å; I181-S185 PolarHBondContact O-N 3.1Å; I181-S185 PolarHBondContact O-OG 2.97Å; I181-S185 VanDerWaalsContact O-OG 3.06Å
182T83.5Confident79.6Confident90 Ų9069.1 Ų69.155%0.55238%0.376SS*.Hα-helixtrans-57.2-48.4175.449.20000112.7G180 I184 S185 I186G180-T182 PolarHBondContact O-N 3.35Å; G180-T182 VanDerWaalsContact O-N 3.12Å; T182-I184 PolarHBondContact O-N 3.06Å; T182-S185 PolarHBondContact O-N 3.15Å; T182-I186 WeakPolarHBondContact O-CB 3.46Å; T182-I186 WeakPolarHBondContact O-CD1 3.44Å; T182-I186 VanDerWaalsContact O-CG1 3.24Å; T182-I186 WeakPolarHBondContact O-CG1 3.47Å; T182-I186 PolarHBondContact O-N 2.88Å
183T83.6Confident79.9Confident3 Ų362.9 Ų62.92%0.01836%0.356CS..Hα-helixtrans-61.5-45.2177.9-56.80000111.1A95 V104 G180 I186 M187A95-T183 HydrophobicContact CB-CG2 4.26Å; V104-T183 HydrophobicContact CG1-CG2 4.38Å; V104-T183 HydrophobicContact CG2-CG2 4.26Å; G180-T183 PolarHBondContact O-N 3.47Å; T183-I186 PolarHBondContact O-N 3.32Å; T183-M187 HydrophobicContact CG2-SD 4.17Å; T183-M187 WeakPolarHBondContact O-CG 3.32Å; T183-M187 PolarHBondContact O-N 2.96Å
184I85.7Confident80.7Confident51 Ų5158 Ų5826%0.26233%0.331SS..Hα-helixtrans-62.9-46.1179.3-61.7174.7000110.5I179 G180 I181 T182 I186 M187 A188 I227 Y231I179-I184 HydrophobicContact CG2-CD1 3.8Å; I179-I184 HydrophobicContact CG2-CG1 3.5Å; I179-I184 VanDerWaalsContact CG2-CG1 3.5Å; G180-I184 PolarHBondContact O-N 3.12Å; I181-I184 PolarHBondContact O-N 3.16Å; T182-I184 PolarHBondContact O-N 3.06Å; I184-I186 VanDerWaalsContact C-N 3.34Å; I184-I186 PolarHBondContact O-N 2.96Å; I184-M187 PolarHBondContact O-N 3.03Å; I184-A188 VanDerWaalsContact O-CB 3.29Å; I184-A188 WeakPolarHBondContact O-CB 3.46Å; I184-A188 PolarHBondContact O-N 3.21Å; I184-I227 HydrophobicContact CG2-CG2 4.25Å; I184-Y231 HydrophobicContact CD1-CD2 4.23Å
185S86.5Confident82Confident73 Ų7356.5 Ų56.551%0.5132%0.318SS..Hα-helixtrans-61-42.4178-62.40000112.2I181 T182 A188 A189I181-S185 PolarHBondContact O-N 3.1Å; I181-S185 PolarHBondContact O-OG 2.97Å; I181-S185 VanDerWaalsContact O-OG 3.06Å; T182-S185 PolarHBondContact O-N 3.15Å; S185-A188 PolarHBondContact O-N 3.38Å; S185-A189 PolarHBondContact O-N 3.23Å
186I85.7Confident83.2Confident42 Ų4258.8 Ų58.822%0.21533%0.331CS..Hα-helixtrans-62.2-49177-71.6165.8000110.8V91 A95 T182 T183 I184 A188 A189 T190V91-I186 HydrophobicContact CG1-CG2 3.33Å; A95-I186 HydrophobicContact CB-CB 4.19Å; A95-I186 HydrophobicContact CB-CD1 4.06Å; A95-I186 HydrophobicContact CB-CG2 3.78Å; T182-I186 WeakPolarHBondContact O-CB 3.46Å; T182-I186 WeakPolarHBondContact O-CD1 3.44Å; T182-I186 VanDerWaalsContact O-CG1 3.24Å; T182-I186 WeakPolarHBondContact O-CG1 3.47Å; T182-I186 PolarHBondContact O-N 2.88Å; T183-I186 PolarHBondContact O-N 3.32Å; I184-I186 VanDerWaalsContact C-N 3.34Å; I184-I186 PolarHBondContact O-N 2.96Å; I186-A188 PolarHBondContact O-N 2.81Å; I186-A189 PolarHBondContact O-N 3.19Å; I186-T190 VanDerWaalsContact O-CG2 3.25Å; I186-T190 WeakPolarHBondContact O-CG2 3.47Å; I186-T190 PolarHBondContact O-N 3.43Å; I186-T190 VanDerWaalsContact O-N 3.09Å
187M86.7Confident84.2Confident3 Ų351.3 Ų51.32%0.01530%0.3CS..Hα-helixtrans-65.8-40.4-179.7-69.1-176.975.300111.9V104 T183 I184 A189 T190 V191 A226 I227V104-M187 HydrophobicContact CB-SD 4.26Å; V104-M187 HydrophobicContact CG1-CE 4.49Å; V104-M187 HydrophobicContact CG1-SD 3.91Å; V104-M187 HydrophobicContact CG2-CE 4.11Å; V104-M187 HydrophobicContact CG2-SD 3.51Å; V104-M187 VanDerWaalsContact CG2-SD 3.51Å; T183-M187 HydrophobicContact CG2-SD 4.17Å; T183-M187 WeakPolarHBondContact O-CG 3.32Å; T183-M187 PolarHBondContact O-N 2.96Å; I184-M187 PolarHBondContact O-N 3.03Å; M187-A189 VanDerWaalsContact C-N 3.31Å; M187-A189 PolarHBondContact O-N 2.98Å; M187-T190 WeakPolarHBondContact O-CB 3.38Å; M187-T190 PolarHBondContact O-N 3.13Å; M187-T190 PolarHBondContact O-OG1 2.93Å; M187-V191 WeakPolarHBondContact O-CG2 3.48Å; M187-V191 PolarHBondContact O-N 3.13Å; M187-A226 HydrophobicContact CE-CB 3.41Å; M187-A226 VanDerWaalsContact CE-CB 3.41Å; M187-I227 HydrophobicContact CB-CD1 3.7Å; M187-I227 HydrophobicContact CB-CG1 3.56Å; M187-I227 HydrophobicContact CE-CG1 3.93Å; M187-I227 HydrophobicContact CG-CG1 4.46Å; M187-I227 HydrophobicContact SD-CG1 4.08Å
188A89Confident85.2Confident37 Ų3753.5 Ų53.531%0.30631%0.307SS..Hα-helixtrans-59.8-41.8175.400000111.8I184 S185 I186 T190 V191 I192 I227I184-A188 VanDerWaalsContact O-CB 3.29Å; I184-A188 WeakPolarHBondContact O-CB 3.46Å; I184-A188 PolarHBondContact O-N 3.21Å; S185-A188 PolarHBondContact O-N 3.38Å; I186-A188 PolarHBondContact O-N 2.81Å; A188-T190 VanDerWaalsContact C-N 3.29Å; A188-T190 PolarHBondContact O-N 3.22Å; A188-V191 PolarHBondContact O-N 3.32Å; A188-I192 WeakPolarHBondContact O-CG1 3.31Å; A188-I192 PolarHBondContact O-N 3.19Å; A188-I192 VanDerWaalsContact O-N 3.09Å; A188-I227 HydrophobicContact CB-CD1 4.48Å
189A89.5Confident86.1Confident49 Ų4950.7 Ų50.741%0.40529%0.291SS..Hα-helixtrans-61.8-37.1173.800000112.2S185 I186 M187 I192 T193S185-A189 PolarHBondContact O-N 3.23Å; I186-A189 PolarHBondContact O-N 3.19Å; M187-A189 VanDerWaalsContact C-N 3.31Å; M187-A189 PolarHBondContact O-N 2.98Å; A189-I192 PolarHBondContact O-N 3.16Å; A189-T193 WeakPolarHBondContact O-CB 3.45Å; A189-T193 PolarHBondContact O-N 3.26Å; A189-T193 PolarHBondContact O-OG1 2.9Å
190T87.9Confident86.8Confident2 Ų252.3 Ų52.31%0.01230%0.302CS..Hα-helixtrans-66.6-39.2176.472.10000112.2L88 K92 I186 M187 A188 T193 K194L88-T190 HydrophobicContact CD2-CG2 3.93Å; K92-T190 HydrophobicContact CD-CG2 4.23Å; K92-T190 HydrophobicContact CG-CG2 3.69Å; I186-T190 VanDerWaalsContact O-CG2 3.25Å; I186-T190 WeakPolarHBondContact O-CG2 3.47Å; I186-T190 PolarHBondContact O-N 3.43Å; I186-T190 VanDerWaalsContact O-N 3.09Å; M187-T190 WeakPolarHBondContact O-CB 3.38Å; M187-T190 PolarHBondContact O-N 3.13Å; M187-T190 PolarHBondContact O-OG1 2.93Å; A188-T190 VanDerWaalsContact C-N 3.29Å; A188-T190 PolarHBondContact O-N 3.22Å; T190-T193 PolarHBondContact O-N 3.42Å; T190-K194 WeakPolarHBondContact O-CB 3.49Å; T190-K194 WeakPolarHBondContact O-CG 3.41Å; T190-K194 PolarHBondContact O-N 3.43Å
191V89.4Confident87Confident33 Ų3351 Ų5120%0.229%0.288CS..Hα-helixtrans-61.2-48.1175.4174.70000110.3M187 A188 T193 K194 F195 N223 A224 I227M187-V191 WeakPolarHBondContact O-CG2 3.48Å; M187-V191 PolarHBondContact O-N 3.13Å; A188-V191 PolarHBondContact O-N 3.32Å; V191-T193 PolarHBondContact O-N 3.45Å; V191-K194 PolarHBondContact O-N 3.38Å; V191-F195 VanDerWaalsContact O-CB 3.26Å; V191-F195 WeakPolarHBondContact O-CB 3.28Å; V191-F195 PolarHBondContact O-N 3.21Å; V191-N223 HydrophobicContact CG2-CB 3.47Å; V191-N223 VanDerWaalsContact CG2-CB 3.47Å; V191-A224 HydrophobicContact CG2-CB 4.5Å; V191-I227 HydrophobicContact CG2-CD1 4.09Å
192I91.4Very high87Confident109 Ų10952.3 Ų52.356%0.55928%0.284SS*.Hα-helixtrans-60.9-46.5179.3-66.3164000110.5A188 A189 F195 V196A188-I192 WeakPolarHBondContact O-CG1 3.31Å; A188-I192 PolarHBondContact O-N 3.19Å; A188-I192 VanDerWaalsContact O-N 3.09Å; A189-I192 PolarHBondContact O-N 3.16Å; I192-F195 PolarHBondContact O-N 3.34Å; I192-V196 WeakPolarHBondContact O-CG2 3.48Å; I192-V196 PolarHBondContact O-N 3.29Å
193T88.4Confident86.9Confident50 Ų5056.2 Ų56.231%0.30729%0.294SS..Hα-helixtrans-62.4-47.6-179.3-54.40000111.6V84 L88 A189 T190 V191 F195 V196 L197V84-T193 HydrophobicContact CG1-CG2 3.81Å; L88-T193 HydrophobicContact CD1-CG2 4.03Å; L88-T193 HydrophobicContact CD2-CG2 4.24Å; A189-T193 WeakPolarHBondContact O-CB 3.45Å; A189-T193 PolarHBondContact O-N 3.26Å; A189-T193 PolarHBondContact O-OG1 2.9Å; T190-T193 PolarHBondContact O-N 3.42Å; V191-T193 PolarHBondContact O-N 3.45Å; T193-F195 VanDerWaalsContact C-N 3.3Å; T193-F195 PolarHBondContact O-N 3.01Å; T193-V196 PolarHBondContact O-N 3.35Å; T193-L197 WeakPolarHBondContact O-CG 3.48Å; T193-L197 PolarHBondContact O-N 3.43Å
194K89Confident86.5Confident0 Ų060.3 Ų60.30%031%0.31CS..Hα-helixtrans-65.2-34.1177.6-71.9-75.5-166164.80111.9N85 L88 D114 T190 V191 L197 W198 D219 C220N85-K194 PolarHBondContact OD1-NZ 2.99Å; L88-K194 HydrophobicContact CD1-CD 4.11Å; L88-K194 HydrophobicContact CD1-CG 4.15Å; D114-K194 IonicContact OD2-NZ 3.06Å; D114-K194 PolarHBondContact OD2-NZ 2.91Å; T190-K194 WeakPolarHBondContact O-CB 3.49Å; T190-K194 WeakPolarHBondContact O-CG 3.41Å; T190-K194 PolarHBondContact O-N 3.43Å; V191-K194 PolarHBondContact O-N 3.38Å; K194-L197 PolarHBondContact O-N 3.32Å; K194-W198 WeakPolarHBondContact O-CB 3.48Å; K194-W198 PolarHBondContact O-N 3.47Å; K194-D219 HydrophobicContact CB-CB 4.33Å; K194-D219 HydrophobicContact CD-CB 3.85Å; K194-D219 WeakPolarHBondContact CD-OD2 3.39Å; K194-D219 WeakPolarHBondContact CE-OD2 3.43Å; K194-D219 HydrophobicContact CG-CB 3.95Å; K194-D219 IonicContact NZ-OD1 2.64Å; K194-D219 IonicContact NZ-OD2 3.75Å; K194-D219 PolarHBondContact NZ-OD2 2.98Å; K194-C220 VanDerWaalsContact CB-SG 3.52Å
195F90.7Very high85.7Confident101 Ų10167.2 Ų67.244%0.44334%0.338SS..Hα-helixtrans-65.4-42.3176-176.2-102.4000111.8V191 I192 T193 W198 L199 C220V191-F195 VanDerWaalsContact O-CB 3.26Å; V191-F195 WeakPolarHBondContact O-CB 3.28Å; V191-F195 PolarHBondContact O-N 3.21Å; I192-F195 PolarHBondContact O-N 3.34Å; T193-F195 VanDerWaalsContact C-N 3.3Å; T193-F195 PolarHBondContact O-N 3.01Å; F195-W198 AromaticContact CD2-CE3 3.91Å; F195-W198 HydrophobicContact CD2-CE3 3.91Å; F195-W198 HydrophobicContact CD2-CZ3 4.28Å; F195-W198 AromaticContact CE2-CE3 3.71Å; F195-W198 HydrophobicContact CE2-CE3 3.71Å; F195-W198 AromaticContact CE2-CZ3 3.61Å; F195-W198 HydrophobicContact CE2-CZ3 3.61Å; F195-W198 HydrophobicContact CZ-CE3 4.41Å; F195-W198 HydrophobicContact CZ-CZ3 4.18Å; F195-W198 WeakPolarHBondContact O-CB 3.38Å; F195-W198 PolarHBondContact O-N 2.99Å; F195-L199 HydrophobicContact CD1-CD1 4.13Å; F195-L199 HydrophobicContact CE1-CD1 3.69Å; F195-L199 HydrophobicContact CE1-CG 4.29Å; F195-L199 HydrophobicContact CZ-CD1 4.24Å; F195-L199 HydrophobicContact CZ-CG 4.48Å; F195-L199 WeakPolarHBondContact O-CG 3.49Å; F195-L199 PolarHBondContact O-N 3.42Å; F195-C220 PolarHBondContact N-SG 2.96Å
196V90.5Very high85Confident79 Ų7967.3 Ų67.348%0.47933%0.332SS..Hα-helixtrans-62.2-46.1173.6174.10000110.7I192 T193 W198 L199 V200I192-V196 WeakPolarHBondContact O-CG2 3.48Å; I192-V196 PolarHBondContact O-N 3.29Å; T193-V196 PolarHBondContact O-N 3.35Å; V196-W198 VanDerWaalsContact C-N 3.31Å; V196-W198 PolarHBondContact O-N 3.25Å; V196-L199 PolarHBondContact O-N 2.91Å; V196-V200 WeakPolarHBondContact O-CG2 3.25Å; V196-V200 PolarHBondContact O-N 3.04Å
197L86.3Confident84.5Confident19 Ų1966.7 Ų66.710%0.09933%0.332CS..Hα-helixtrans-60.6-39.9176.4-71176.6000112.4T81 V84 T193 K194 L199 V200 C201T81-L197 HydrophobicContact CG2-CD2 4.16Å; V84-L197 HydrophobicContact CB-CD1 4.32Å; V84-L197 HydrophobicContact CG1-CD1 3.83Å; T193-L197 WeakPolarHBondContact O-CG 3.48Å; T193-L197 PolarHBondContact O-N 3.43Å; K194-L197 PolarHBondContact O-N 3.32Å; L197-L199 PolarHBondContact O-N 2.88Å; L197-V200 PolarHBondContact O-N 2.81Å; L197-C201 WeakPolarHBondContact O-CB 3.46Å; L197-C201 PolarHBondContact O-N 3.49Å; L197-C201 PolarHBondContact O-SG 3.34Å; L197-C201 VanDerWaalsContact O-SG 3.41Å
198W87.6Confident84.1Confident57 Ų5768 Ų6822%0.21634%0.339CS..Hα-helixtrans-59.6-44.9175.1172.563.8000112K194 F195 V196 C201 R202 H216 R217K194-W198 WeakPolarHBondContact O-CB 3.48Å; K194-W198 PolarHBondContact O-N 3.47Å; F195-W198 AromaticContact CD2-CE3 3.91Å; F195-W198 HydrophobicContact CD2-CE3 3.91Å; F195-W198 HydrophobicContact CD2-CZ3 4.28Å; F195-W198 AromaticContact CE2-CE3 3.71Å; F195-W198 HydrophobicContact CE2-CE3 3.71Å; F195-W198 AromaticContact CE2-CZ3 3.61Å; F195-W198 HydrophobicContact CE2-CZ3 3.61Å; F195-W198 HydrophobicContact CZ-CE3 4.41Å; F195-W198 HydrophobicContact CZ-CZ3 4.18Å; F195-W198 WeakPolarHBondContact O-CB 3.38Å; F195-W198 PolarHBondContact O-N 2.99Å; V196-W198 VanDerWaalsContact C-N 3.31Å; V196-W198 PolarHBondContact O-N 3.25Å; W198-C201 PolarHBondContact O-N 2.84Å; W198-R202 WeakPolarHBondContact O-CB 3.36Å; W198-R202 PolarHBondContact O-N 2.83Å; W198-H216 HydrophobicContact CB-CB 4Å; W198-R217 HydrophobicContact CG-CB 4.47Å
199L89Confident83.6Confident70 Ų7066.6 Ų66.637%0.36633%0.326SS..Hα-helixtrans-61.6-45.4176.1-69.9176.1000111.4F195 V196 L197 R202 F203F195-L199 HydrophobicContact CD1-CD1 4.13Å; F195-L199 HydrophobicContact CE1-CD1 3.69Å; F195-L199 HydrophobicContact CE1-CG 4.29Å; F195-L199 HydrophobicContact CZ-CD1 4.24Å; F195-L199 HydrophobicContact CZ-CG 4.48Å; F195-L199 WeakPolarHBondContact O-CG 3.49Å; F195-L199 PolarHBondContact O-N 3.42Å; V196-L199 PolarHBondContact O-N 2.91Å; L197-L199 PolarHBondContact O-N 2.88Å; L199-R202 WeakPolarHBondContact O-CB 3.33Å; L199-R202 PolarHBondContact O-N 3.43Å; L199-F203 WeakPolarHBondContact O-CD2 3.45Å; L199-F203 VanDerWaalsContact O-CE2 3.29Å; L199-F203 WeakPolarHBondContact O-CE2 3.14Å
200V85.2Confident83.3Confident59 Ų5971.1 Ų71.136%0.35833%0.333SS..Hα-helixtrans-61.9-49.2178.3175.80000111.2L77 V196 L197 R202 F203 Y204L77-V200 HydrophobicContact CD1-CG1 3.76Å; V196-V200 WeakPolarHBondContact O-CG2 3.25Å; V196-V200 PolarHBondContact O-N 3.04Å; L197-V200 PolarHBondContact O-N 2.81Å; V200-R202 VanDerWaalsContact C-N 3.26Å; V200-R202 PolarHBondContact O-N 3Å; V200-F203 PolarHBondContact O-N 3.4Å; V200-Y204 HydrophobicContact CG1-CE2 4.47Å; V200-Y204 WeakPolarHBondContact O-CD2 3.37Å
201C80.7Confident83.1Confident0 Ų071.2 Ų71.20%033%0.334CS..Hα-helixtrans-65.6-29-178.7-72.10000112.6L197 W198 F203 Y204 A213L197-C201 WeakPolarHBondContact O-CB 3.46Å; L197-C201 PolarHBondContact O-N 3.49Å; L197-C201 PolarHBondContact O-SG 3.34Å; L197-C201 VanDerWaalsContact O-SG 3.41Å; W198-C201 PolarHBondContact O-N 2.84Å; C201-F203 PolarHBondContact O-N 2.81Å; C201-Y204 PolarHBondContact O-N 3.03Å; C201-Y204 VanDerWaalsContact O-N 3.13Å; C201-A213 HydrophobicContact CB-CB 3.81Å
202R80.8Confident82.9Confident172 Ų17270.4 Ų70.465%0.64933%0.328SS*.Hα-helixtrans-63.1-25.6177.4-177.6175178.4143.5-0113.4W198 L199 V200 Y204W198-R202 WeakPolarHBondContact O-CB 3.36Å; W198-R202 PolarHBondContact O-N 2.83Å; L199-R202 WeakPolarHBondContact O-CB 3.33Å; L199-R202 PolarHBondContact O-N 3.43Å; V200-R202 VanDerWaalsContact C-N 3.26Å; V200-R202 PolarHBondContact O-N 3Å; R202-Y204 VanDerWaalsContact C-N 3.25Å; R202-Y204 PolarHBondContact O-N 3.31Å
203F80.5Confident82.6Confident171 Ų17165.7 Ų65.775%0.7531%0.305SS*.THydrogen-bonded Turntrans-72-19.8176.9-70-73.9000113.1L199 V200 C201L199-F203 WeakPolarHBondContact O-CD2 3.45Å; L199-F203 VanDerWaalsContact O-CE2 3.29Å; L199-F203 WeakPolarHBondContact O-CE2 3.14Å; V200-F203 PolarHBondContact O-N 3.4Å; C201-F203 PolarHBondContact O-N 2.81Å
204Y75.3Confident82.6Confident89 Ų8964.6 Ų64.635%0.34930%0.297SS..  trans-95.4132.9-179.8-66-95.5000111.2L77 V200 C201 R202 T209L77-Y204 HydrophobicContact CD2-CD1 4.49Å; L77-Y204 HydrophobicContact CD2-CD2 3.47Å; L77-Y204 VanDerWaalsContact CD2-CD2 3.47Å; L77-Y204 HydrophobicContact CD2-CE2 3.58Å; L77-Y204 HydrophobicContact CD2-CG 3.96Å; V200-Y204 HydrophobicContact CG1-CE2 4.47Å; V200-Y204 WeakPolarHBondContact O-CD2 3.37Å; C201-Y204 PolarHBondContact O-N 3.03Å; C201-Y204 VanDerWaalsContact O-N 3.13Å; R202-Y204 VanDerWaalsContact C-N 3.25Å; R202-Y204 PolarHBondContact O-N 3.31Å; Y204-T209 WeakPolarHBondContact CB-OG1 3.43Å; Y204-T209 HydrophobicContact CG-CG2 4.47Å; Y204-T209 PolarHBondContact O-OG1 3.2Å
205K68.8Low82.6Confident197 Ų19764.9 Ų64.986%0.85730%0.298SS*.  trans-91.1-4.3-173.5-66.9-177.1-179.3175.10114.7
206D73.6Confident82.5Confident74 Ų7460 Ų6040%0.39628%0.277SS..SBendtrans-65.6153-174.6-59.6-27.4000112.7N208 T209 R210D206-N208 PolarHBondContact O-N 3.3Å; D206-T209 HydrophobicContact CB-CG2 4.13Å; D206-T209 PolarHBondContact N-OG1 3.32Å; D206-T209 PolarHBondContact O-N 3.07Å; D206-T209 PolarHBondContact O-OG1 3.12Å; D206-R210 WeakPolarHBondContact O-CB 3.42Å; D206-R210 VanDerWaalsContact O-CG 3.26Å; D206-R210 WeakPolarHBondContact O-CG 3.34Å; D206-R210 PolarHBondContact O-N 3.4Å
207C74.2Confident82.6Confident30 Ų3061.1 Ų61.120%0.20327%0.272CS..Hα-helixtrans-60.2-48.1-179.6-1670000111.5L148 T209 R210 I211 T304L148-C207 VanDerWaalsContact CD1-SG 3.56Å; C207-T209 PolarHBondContact O-N 2.99Å; C207-R210 PolarHBondContact O-N 2.77Å; C207-I211 PolarHBondContact O-N 3.4Å; C207-I211 VanDerWaalsContact O-N 3.13Å; C207-T304 HydrophobicContact CB-CG2 3.52Å
208N77.8Confident82.8Confident31 Ų3160.3 Ų60.317%0.16627%0.268CS..Hα-helixtrans-59-44.4175.3-74.8-23.3000113.1E144 D206 R210 I211 L212E144-N208 VanDerWaalsContact CG-OD1 3.31Å; E144-N208 WeakPolarHBondContact CG-OD1 3.46Å; E144-N208 PolarHBondContact OE1-N 3.48Å; E144-N208 PolarHBondContact OE1-ND2 3.02Å; E144-N208 PolarHBondContact OE1-OD1 3.27Å; D206-N208 PolarHBondContact O-N 3.3Å; N208-R210 VanDerWaalsContact C-N 3.3Å; N208-R210 PolarHBondContact O-N 2.93Å; N208-I211 PolarHBondContact O-N 3Å; N208-L212 WeakPolarHBondContact O-CB 3.49Å; N208-L212 PolarHBondContact O-N 3.21Å
209T78.8Confident82.9Confident7 Ų757.6 Ų57.64%0.04326%0.258CS..Hα-helixtrans-68.9-31-179.360.20000111.8L77 Y204 D206 C207 L212 A213L77-T209 HydrophobicContact CD2-CG2 4.3Å; Y204-T209 WeakPolarHBondContact CB-OG1 3.43Å; Y204-T209 HydrophobicContact CG-CG2 4.47Å; Y204-T209 PolarHBondContact O-OG1 3.2Å; D206-T209 HydrophobicContact CB-CG2 4.13Å; D206-T209 PolarHBondContact N-OG1 3.32Å; D206-T209 PolarHBondContact O-N 3.07Å; D206-T209 PolarHBondContact O-OG1 3.12Å; C207-T209 PolarHBondContact O-N 2.99Å; T209-L212 PolarHBondContact O-N 3.18Å; T209-A213 VanDerWaalsContact O-CB 3.3Å; T209-A213 WeakPolarHBondContact O-CB 3.34Å; T209-A213 PolarHBondContact O-N 3.47Å
210R83.5Confident83Confident143 Ų14355.1 Ų55.154%0.5425%0.246SC..Hα-helixtrans-67.7-40174-73.2176.568.4-163.52.4112.7D206 C207 N208 A213 Q214D206-R210 WeakPolarHBondContact O-CB 3.42Å; D206-R210 VanDerWaalsContact O-CG 3.26Å; D206-R210 WeakPolarHBondContact O-CG 3.34Å; D206-R210 PolarHBondContact O-N 3.4Å; C207-R210 PolarHBondContact O-N 2.77Å; N208-R210 VanDerWaalsContact C-N 3.3Å; N208-R210 PolarHBondContact O-N 2.93Å; R210-A213 PolarHBondContact O-N 3.32Å; R210-Q214 PolarHBondContact O-N 3.49Å
211I83.6Confident83.2Confident5 Ų555.2 Ų55.23%0.02624%0.244CC..Hα-helixtrans-68.7-41.7174.1-61.6-52000110.4L148 C207 N208 A213 Q214 D215 W256 T259L148-I211 HydrophobicContact CD1-CG1 3.76Å; L148-I211 HydrophobicContact CD2-CB 3.96Å; L148-I211 HydrophobicContact CD2-CG1 3.79Å; L148-I211 HydrophobicContact CD2-CG2 4.01Å; L148-I211 HydrophobicContact CG-CG1 4.27Å; C207-I211 PolarHBondContact O-N 3.4Å; C207-I211 VanDerWaalsContact O-N 3.13Å; N208-I211 PolarHBondContact O-N 3Å; I211-A213 VanDerWaalsContact C-N 3.31Å; I211-A213 PolarHBondContact O-N 3.35Å; I211-Q214 CarbonylContact O-C 3.44Å; I211-Q214 WeakPolarHBondContact O-CA 3.34Å; I211-Q214 WeakPolarHBondContact O-CB 3.46Å; I211-Q214 PolarHBondContact O-N 3.22Å; I211-D215 WeakPolarHBondContact O-CB 3.45Å; I211-D215 PolarHBondContact O-N 3.48Å; I211-W256 HydrophobicContact CG2-CH2 4.38Å; I211-W256 HydrophobicContact CG2-CZ3 4.09Å; I211-T259 HydrophobicContact CD1-CG2 3.69Å
212L84.9Confident83.7Confident15 Ų1555.2 Ų55.28%0.07924%0.244CC..Hα-helixtrans-63.1-35.9174.9-173.964.8000112.6T81 N208 T209 Q214 D215 H216T81-L212 HydrophobicContact CG2-CD2 3.9Å; T81-L212 WeakPolarHBondContact OG1-CD2 3.41Å; N208-L212 WeakPolarHBondContact O-CB 3.49Å; N208-L212 PolarHBondContact O-N 3.21Å; T209-L212 PolarHBondContact O-N 3.18Å; L212-Q214 VanDerWaalsContact C-N 3.34Å; L212-D215 WeakPolarHBondContact O-CB 3.46Å; L212-D215 PolarHBondContact O-N 3.42Å; L212-H216 PolarHBondContact O-CD2 3.15Å; L212-H216 VanDerWaalsContact O-CD2 3.25Å; L212-H216 VanDerWaalsContact O-CG 3.28Å; L212-H216 PolarHBondContact O-N 3.34Å
213A86.2Confident84.1Confident10 Ų1047 Ų478%0.08321%0.213CC..Hα-helixtrans-66.3-38.5171.500000111.4C201 T209 R210 I211 D215 R217C201-A213 HydrophobicContact CB-CB 3.81Å; T209-A213 VanDerWaalsContact O-CB 3.3Å; T209-A213 WeakPolarHBondContact O-CB 3.34Å; T209-A213 PolarHBondContact O-N 3.47Å; R210-A213 PolarHBondContact O-N 3.32Å; I211-A213 VanDerWaalsContact C-N 3.31Å; I211-A213 PolarHBondContact O-N 3.35Å; A213-D215 VanDerWaalsContact C-N 3.34Å; A213-R217 WeakPolarHBondContact O-CB 3.45Å; A213-R217 PolarHBondContact O-N 3.25Å
214Q88.2Confident84.7Confident28 Ų2840.8 Ų40.813%0.13119%0.193CC..Hα-helixtrans-64.4-41.5175.1-176.4-177.7-5300111.5R210 I211 L212 R217 N218 T259R210-Q214 PolarHBondContact O-N 3.49Å; I211-Q214 CarbonylContact O-C 3.44Å; I211-Q214 WeakPolarHBondContact O-CA 3.34Å; I211-Q214 WeakPolarHBondContact O-CB 3.46Å; I211-Q214 PolarHBondContact O-N 3.22Å; L212-Q214 VanDerWaalsContact C-N 3.34Å; Q214-R217 WeakPolarHBondContact O-CB 3.4Å; Q214-R217 PolarHBondContact O-N 2.98Å; Q214-N218 WeakPolarHBondContact O-CB 3.46Å; Q214-N218 VanDerWaalsContact O-CG 3.24Å; Q214-N218 PolarHBondContact O-N 3.2Å; Q214-N218 PolarHBondContact O-OD1 3.29Å; Q214-T259 PolarHBondContact NE2-OG1 3.39Å
215D88.7Confident85.4Confident5 Ų538.6 Ų38.63%0.02719%0.191CC..Hα-helixtrans-55.2-57.5173.5-166.564.8000110.6I211 L212 A213 R217 N218 D219 W256I211-D215 WeakPolarHBondContact O-CB 3.45Å; I211-D215 PolarHBondContact O-N 3.48Å; L212-D215 WeakPolarHBondContact O-CB 3.46Å; L212-D215 PolarHBondContact O-N 3.42Å; A213-D215 VanDerWaalsContact C-N 3.34Å; D215-R217 VanDerWaalsContact C-N 3.26Å; D215-R217 PolarHBondContact O-N 2.88Å; D215-R217 VanDerWaalsContact O-N 3.16Å; D215-N218 CarbonylContact O-C 3.54Å; D215-N218 WeakPolarHBondContact O-CA 3.42Å; D215-N218 WeakPolarHBondContact O-CB 3.41Å; D215-N218 PolarHBondContact O-N 3.45Å; D215-D219 PolarHBondContact O-N 2.97Å; D215-W256 HydrophobicContact CB-CH2 4.25Å; D215-W256 HydrophobicContact CB-CZ2 4.46Å; D215-W256 WeakPolarHBondContact OD1-CH2 3.47Å; D215-W256 VanDerWaalsContact OD1-CZ2 3.27Å; D215-W256 WeakPolarHBondContact OD1-CZ2 3.42Å
216H89.5Confident86.3Confident0 Ų029.2 Ų29.20%015%0.15CC..Hα-helixtrans-58.6-33.6176.6-64.4-29.4000114.1W198 L212 D219 C220W198-H216 HydrophobicContact CB-CB 4Å; L212-H216 PolarHBondContact O-CD2 3.15Å; L212-H216 VanDerWaalsContact O-CD2 3.25Å; L212-H216 VanDerWaalsContact O-CG 3.28Å; L212-H216 PolarHBondContact O-N 3.34Å; H216-D219 IonicContact ND1-OD2 3.17Å; H216-C220 PolarHBondContact O-N 3.27Å; H216-C220 VanDerWaalsContact O-N 3.1Å; H216-C220 PolarHBondContact O-SG 3.18Å
217R90.6Very high87Confident102 Ų10227.3 Ų27.339%0.38514%0.139SC..Hα-helixtrans-69.1-44.4174.3-174.5-170.167.6-179.50.6111.2W198 A213 Q214 D215 D219 C220 I221W198-R217 HydrophobicContact CG-CB 4.47Å; A213-R217 WeakPolarHBondContact O-CB 3.45Å; A213-R217 PolarHBondContact O-N 3.25Å; Q214-R217 WeakPolarHBondContact O-CB 3.4Å; Q214-R217 PolarHBondContact O-N 2.98Å; D215-R217 VanDerWaalsContact C-N 3.26Å; D215-R217 PolarHBondContact O-N 2.88Å; D215-R217 VanDerWaalsContact O-N 3.16Å; R217-D219 VanDerWaalsContact C-N 3.3Å; R217-C220 PolarHBondContact O-N 3.49Å; R217-I221 HydrophobicContact CG-CD1 4.29Å; R217-I221 WeakPolarHBondContact O-CG1 3.47Å; R217-I221 PolarHBondContact O-N 3.35Å; R217-I221 VanDerWaalsContact O-N 3.13Å
218N90.6Very high87.8Confident1 Ų129.7 Ų29.71%0.00515%0.153CC..Hα-helixtrans-61.8-41.6177.4-73.9-3000110.1Q214 D215 C220 I221 S222 L252 S255Q214-N218 WeakPolarHBondContact O-CB 3.46Å; Q214-N218 VanDerWaalsContact O-CG 3.24Å; Q214-N218 PolarHBondContact O-N 3.2Å; Q214-N218 PolarHBondContact O-OD1 3.29Å; D215-N218 CarbonylContact O-C 3.54Å; D215-N218 WeakPolarHBondContact O-CA 3.42Å; D215-N218 WeakPolarHBondContact O-CB 3.41Å; D215-N218 PolarHBondContact O-N 3.45Å; N218-C220 PolarHBondContact O-N 2.84Å; N218-I221 PolarHBondContact O-N 3.41Å; N218-S222 WeakPolarHBondContact O-CB 3.44Å; N218-S222 PolarHBondContact O-N 3.24Å; N218-L252 HydrophobicContact CB-CD2 3.71Å; N218-S255 PolarHBondContact ND2-OG 3.09Å
219D89.9Confident88.3Confident1 Ų129.5 Ų29.51%0.00515%0.153CC..Hα-helixtrans-58.6-45.6173.2-73.1-59.5000112.9D114 K194 D215 H216 R217 I221 S222 N223D114-D219 VanDerWaalsContact OD2-OD1 3.08Å; K194-D219 HydrophobicContact CB-CB 4.33Å; K194-D219 HydrophobicContact CD-CB 3.85Å; K194-D219 WeakPolarHBondContact CD-OD2 3.39Å; K194-D219 WeakPolarHBondContact CE-OD2 3.43Å; K194-D219 HydrophobicContact CG-CB 3.95Å; K194-D219 IonicContact NZ-OD1 2.64Å; K194-D219 IonicContact NZ-OD2 3.75Å; K194-D219 PolarHBondContact NZ-OD2 2.98Å; D215-D219 PolarHBondContact O-N 2.97Å; H216-D219 IonicContact ND1-OD2 3.17Å; R217-D219 VanDerWaalsContact C-N 3.3Å; D219-I221 VanDerWaalsContact C-N 3.29Å; D219-I221 PolarHBondContact O-N 2.75Å; D219-S222 PolarHBondContact O-N 3.37Å; D219-N223 VanDerWaalsContact O-CB 3.28Å; D219-N223 WeakPolarHBondContact O-CB 3.44Å; D219-N223 PolarHBondContact O-N 2.78Å; D219-N223 PolarHBondContact O-ND2 3.4Å
220C91Very high88.6Confident17 Ų1729.2 Ų29.212%0.11515%0.152CC..Hα-helixtrans-58.6-44.6178.1-74.40000111.1K194 F195 H216 R217 N218 A224K194-C220 VanDerWaalsContact CB-SG 3.52Å; F195-C220 PolarHBondContact N-SG 2.96Å; H216-C220 PolarHBondContact O-N 3.27Å; H216-C220 VanDerWaalsContact O-N 3.1Å; H216-C220 PolarHBondContact O-SG 3.18Å; R217-C220 PolarHBondContact O-N 3.49Å; N218-C220 PolarHBondContact O-N 2.84Å; C220-A224 WeakPolarHBondContact O-CB 3.45Å; C220-A224 PolarHBondContact O-N 3.03Å
221I90.8Very high88.7Confident61 Ų6128.5 Ų28.531%0.31315%0.15SC..Hα-helixtrans-65.8-50.5178.2-65.5167.7000109.8R217 N218 D219 N223 A224 S225 Y251R217-I221 HydrophobicContact CG-CD1 4.29Å; R217-I221 WeakPolarHBondContact O-CG1 3.47Å; R217-I221 PolarHBondContact O-N 3.35Å; R217-I221 VanDerWaalsContact O-N 3.13Å; N218-I221 PolarHBondContact O-N 3.41Å; D219-I221 VanDerWaalsContact C-N 3.29Å; D219-I221 PolarHBondContact O-N 2.75Å; I221-N223 PolarHBondContact O-N 3.28Å; I221-A224 PolarHBondContact O-N 3Å; I221-S225 VanDerWaalsContact O-CB 3.24Å; I221-S225 WeakPolarHBondContact O-CB 3.49Å; I221-S225 PolarHBondContact O-N 2.98Å; I221-S225 PolarHBondContact O-OG 2.77Å; I221-S225 VanDerWaalsContact O-OG 3.06Å; I221-Y251 HydrophobicContact CD1-CE1 4.06Å; I221-Y251 WeakPolarHBondContact CD1-OH 3.33Å; I221-Y251 HydrophobicContact CG2-CD1 4.39Å; I221-Y251 HydrophobicContact CG2-CE1 4.1Å
222S89.9Confident88.9Confident1 Ų131.2 Ų31.21%0.00717%0.165CC..Hα-helixtrans-53.8-51.5179-177.40000111.7D110 N218 D219 A226D110-S222 VanDerWaalsContact OD2-CB 3.28Å; D110-S222 WeakPolarHBondContact OD2-CB 3.4Å; D110-S222 PolarHBondContact OD2-OG 3.46Å; N218-S222 WeakPolarHBondContact O-CB 3.44Å; N218-S222 PolarHBondContact O-N 3.24Å; D219-S222 PolarHBondContact O-N 3.37Å; S222-A226 VanDerWaalsContact O-CB 3.27Å; S222-A226 WeakPolarHBondContact O-CB 3.4Å; S222-A226 PolarHBondContact O-N 2.79Å
223N90.8Very high88.8Confident0 Ų030.6 Ų30.60%016%0.162CC..Hα-helixtrans-68.8-42.4180-63.4-33.1000112.8K92 S107 V191 D219 I221 A226 I227K92-N223 VanDerWaalsContact CE-OD1 3.28Å; K92-N223 WeakPolarHBondContact CE-OD1 3.4Å; K92-N223 PolarHBondContact NZ-ND2 3.34Å; K92-N223 PolarHBondContact NZ-OD1 2.93Å; S107-N223 WeakPolarHBondContact CB-OD1 3.47Å; V191-N223 HydrophobicContact CG2-CB 3.47Å; V191-N223 VanDerWaalsContact CG2-CB 3.47Å; D219-N223 VanDerWaalsContact O-CB 3.28Å; D219-N223 WeakPolarHBondContact O-CB 3.44Å; D219-N223 PolarHBondContact O-N 2.78Å; D219-N223 PolarHBondContact O-ND2 3.4Å; I221-N223 PolarHBondContact O-N 3.28Å; N223-A226 PolarHBondContact O-N 2.96Å; N223-I227 VanDerWaalsContact O-CG1 3.29Å; N223-I227 WeakPolarHBondContact O-CG1 3.46Å; N223-I227 PolarHBondContact O-N 3.5Å
224A91.4Very high88.5Confident40 Ų4033.1 Ų33.133%0.33118%0.179SC..Hα-helixtrans-64.4-44.6177.900000111V191 C220 I221 I227 V228V191-A224 HydrophobicContact CG2-CB 4.5Å; C220-A224 WeakPolarHBondContact O-CB 3.45Å; C220-A224 PolarHBondContact O-N 3.03Å; I221-A224 PolarHBondContact O-N 3Å; A224-I227 PolarHBondContact O-N 3.21Å; A224-V228 WeakPolarHBondContact O-CG2 3.22Å; A224-V228 PolarHBondContact O-N 2.95Å; A224-V228 VanDerWaalsContact O-N 3.09Å
225S90Very high88.2Confident42 Ų4238.2 Ų38.229%0.29420%0.203SC..Hα-helixtrans-63.7-40.2174.8-66.40000111.7I221 V228 C229 I248I221-S225 VanDerWaalsContact O-CB 3.24Å; I221-S225 WeakPolarHBondContact O-CB 3.49Å; I221-S225 PolarHBondContact O-N 2.98Å; I221-S225 PolarHBondContact O-OG 2.77Å; I221-S225 VanDerWaalsContact O-OG 3.06Å; S225-V228 PolarHBondContact O-N 3.28Å; S225-C229 WeakPolarHBondContact O-CB 3.34Å; S225-C229 PolarHBondContact O-N 2.82Å; S225-C229 PolarHBondContact O-SG 2.86Å; S225-I248 VanDerWaalsContact CB-CD1 3.47Å
226A88.7Confident87.9Confident0 Ų044.2 Ų44.20%023%0.229CC..Hα-helixtrans-61.9-43.717500000111.9S103 M187 S222 N223 V228 C229 A230 I248S103-A226 WeakPolarHBondContact O-CB 3.36Å; S103-A226 PolarHBondContact OG-O 3.21Å; M187-A226 HydrophobicContact CE-CB 3.41Å; M187-A226 VanDerWaalsContact CE-CB 3.41Å; S222-A226 VanDerWaalsContact O-CB 3.27Å; S222-A226 WeakPolarHBondContact O-CB 3.4Å; S222-A226 PolarHBondContact O-N 2.79Å; N223-A226 PolarHBondContact O-N 2.96Å; A226-V228 VanDerWaalsContact C-N 3.33Å; A226-V228 PolarHBondContact O-N 2.99Å; A226-C229 PolarHBondContact O-N 3.08Å; A226-A230 WeakPolarHBondContact O-CB 3.48Å; A226-A230 PolarHBondContact O-N 2.64Å; A226-I248 HydrophobicContact CB-CD1 4.42Å
227I88.8Confident87.5Confident34 Ų3453.1 Ų53.117%0.17426%0.262CS..Hα-helixtrans-58.4-46.5174.8-65.8163.6000110.9I184 M187 A188 V191 N223 A224 Y231I184-I227 HydrophobicContact CG2-CG2 4.25Å; M187-I227 HydrophobicContact CB-CD1 3.7Å; M187-I227 HydrophobicContact CB-CG1 3.56Å; M187-I227 HydrophobicContact CE-CG1 3.93Å; M187-I227 HydrophobicContact CG-CG1 4.46Å; M187-I227 HydrophobicContact SD-CG1 4.08Å; A188-I227 HydrophobicContact CB-CD1 4.48Å; V191-I227 HydrophobicContact CG2-CD1 4.09Å; N223-I227 VanDerWaalsContact O-CG1 3.29Å; N223-I227 WeakPolarHBondContact O-CG1 3.46Å; N223-I227 PolarHBondContact O-N 3.5Å; A224-I227 PolarHBondContact O-N 3.21Å; I227-Y231 WeakPolarHBondContact O-CB 3.43Å; I227-Y231 PolarHBondContact O-N 2.98Å
228V90.2Very high87Confident81 Ų8150.8 Ų50.849%0.49126%0.261SS..Hα-helixtrans-65.5-49-178.9172.90000111.3A224 S225 A226 Y231 L232A224-V228 WeakPolarHBondContact O-CG2 3.22Å; A224-V228 PolarHBondContact O-N 2.95Å; A224-V228 VanDerWaalsContact O-N 3.09Å; S225-V228 PolarHBondContact O-N 3.28Å; A226-V228 VanDerWaalsContact C-N 3.33Å; A226-V228 PolarHBondContact O-N 2.99Å; V228-Y231 PolarHBondContact O-N 3.16Å; V228-L232 HydrophobicContact CG1-CD1 3.8Å; V228-L232 HydrophobicContact CG1-CG 4.37Å; V228-L232 WeakPolarHBondContact O-CB 3.44Å; V228-L232 VanDerWaalsContact O-CG 3.25Å; V228-L232 WeakPolarHBondContact O-CG 3.36Å; V228-L232 PolarHBondContact O-N 3.43Å
229C88.1Confident86.7Confident26 Ų2656.8 Ų56.818%0.17629%0.285CS..Hα-helixtrans-66.6-39.5-178.8-68.90000112.1S225 A226 G233 G244S225-C229 WeakPolarHBondContact O-CB 3.34Å; S225-C229 PolarHBondContact O-N 2.82Å; S225-C229 PolarHBondContact O-SG 2.86Å; A226-C229 PolarHBondContact O-N 3.08Å; C229-G233 WeakPolarHBondContact O-CA 3.47Å; C229-G233 PolarHBondContact O-N 3.41Å; C229-G244 WeakPolarHBondContact SG-CA 3.25Å
230A84.4Confident86.5Confident2 Ų259.1 Ų59.12%0.01730%0.297CS..Hα-helixtrans-63-53.3174.600000109.6V104 I179 A226 L232 G233 S234V104-A230 HydrophobicContact CG2-CB 4.34Å; I179-A230 VanDerWaalsContact CD1-CA 3.46Å; I179-A230 HydrophobicContact CD1-CB 3.27Å; I179-A230 WeakPolarHBondContact CD1-O 3.31Å; I179-A230 HydrophobicContact CG1-CB 4.14Å; A226-A230 WeakPolarHBondContact O-CB 3.48Å; A226-A230 PolarHBondContact O-N 2.64Å; A230-L232 VanDerWaalsContact C-N 3.35Å; A230-L232 PolarHBondContact O-N 2.64Å; A230-G233 WeakPolarHBondContact O-CA 3.49Å; A230-G233 PolarHBondContact O-N 2.75Å; A230-S234 PolarHBondContact O-N 2.86Å
231Y86.3Confident86.3Confident127 Ų12758.3 Ų58.350%0.49829%0.292SS..Hα-helixtrans-59.5-41.5-179.5-179.3-95.8000113.1I184 I227 V228 G233 S234 H235I184-Y231 HydrophobicContact CD1-CD2 4.23Å; I227-Y231 WeakPolarHBondContact O-CB 3.43Å; I227-Y231 PolarHBondContact O-N 2.98Å; V228-Y231 PolarHBondContact O-N 3.16Å; Y231-G233 VanDerWaalsContact C-N 3.33Å; Y231-S234 PolarHBondContact O-OG 3.28Å; Y231-H235 PolarHBondContact O-N 3.4Å
232L86.8Confident86.2Confident63 Ų6355.7 Ų55.733%0.3328%0.278SS..Hα-helixtrans-69.9-32.9174.9-67.6175.9000112.1V228 A230 F236 W237 L240V228-L232 HydrophobicContact CG1-CD1 3.8Å; V228-L232 HydrophobicContact CG1-CG 4.37Å; V228-L232 WeakPolarHBondContact O-CB 3.44Å; V228-L232 VanDerWaalsContact O-CG 3.25Å; V228-L232 WeakPolarHBondContact O-CG 3.36Å; V228-L232 PolarHBondContact O-N 3.43Å; A230-L232 VanDerWaalsContact C-N 3.35Å; A230-L232 PolarHBondContact O-N 2.64Å; L232-F236 HydrophobicContact CB-CD2 4.48Å; L232-F236 HydrophobicContact CD2-CD2 3.54Å; L232-F236 HydrophobicContact CD2-CE2 3.6Å; L232-F236 WeakPolarHBondContact O-CB 3.27Å; L232-F236 PolarHBondContact O-N 3.41Å; L232-W237 PolarHBondContact O-N 2.87Å; L232-L240 HydrophobicContact CB-CD1 3.85Å
233G83.4Confident86.2Confident2 Ų259 Ų592%0.02130%0.295CS..Hα-helixtrans-64.7-35.9175.700000113.5C229 A230 Y231 W237 S238C229-G233 WeakPolarHBondContact O-CA 3.47Å; C229-G233 PolarHBondContact O-N 3.41Å; A230-G233 WeakPolarHBondContact O-CA 3.49Å; A230-G233 PolarHBondContact O-N 2.75Å; Y231-G233 VanDerWaalsContact C-N 3.33Å; G233-W237 WeakPolarHBondContact CA-O 3.41Å; G233-W237 CarbonylContact O-C 3.56Å; G233-S238 WeakPolarHBondContact O-CA 3.43Å; G233-S238 PolarHBondContact O-N 3.06Å
234S80.8Confident86.2Confident63 Ų6359.1 Ų59.144%0.44130%0.297SS..Hα-helixtrans-79.8-32.3178.662.20000113.8A230 Y231A230-S234 PolarHBondContact O-N 2.86Å; Y231-S234 PolarHBondContact O-OG 3.28Å
235H81.5Confident86.2Confident135 Ų13557.2 Ų57.263%0.62528%0.281SS*.Hα-helixtrans-98.9-36.4-174.1-162.368.9000114.5Y231Y231-H235 PolarHBondContact O-N 3.4Å
236F82.1Confident86.4Confident131 Ų13156.5 Ų56.558%0.57527%0.274SS*.THydrogen-bonded Turntrans-106.7-70.8-173.1-62.3-84.7000111.4L232L232-F236 HydrophobicContact CB-CD2 4.48Å; L232-F236 HydrophobicContact CD2-CD2 3.54Å; L232-F236 HydrophobicContact CD2-CE2 3.6Å; L232-F236 WeakPolarHBondContact O-CB 3.27Å; L232-F236 PolarHBondContact O-N 3.41Å
237W80.8Confident86.6Confident187 Ų18761.8 Ų61.871%0.70830%0.301SS*.  trans-137.7114.3-170.9-78-2.8000111.6L232 G233 Y239 L240L232-W237 PolarHBondContact O-N 2.87Å; G233-W237 WeakPolarHBondContact CA-O 3.41Å; G233-W237 CarbonylContact O-C 3.56Å; W237-Y239 PolarHBondContact O-N 3.09Å; W237-L240 HydrophobicContact CB-CD1 3.82Å; W237-L240 HydrophobicContact CB-CG 3.81Å; W237-L240 VanDerWaalsContact O-CB 3.29Å; W237-L240 WeakPolarHBondContact O-CB 3.31Å; W237-L240 WeakPolarHBondContact O-CG 3.48Å; W237-L240 PolarHBondContact O-N 2.93Å
238S79.8Confident86.8Confident52 Ų5260.6 Ų60.636%0.36430%0.295SS..THydrogen-bonded Turntrans-54-31.6-177.7-48.40000114.3G233 L240 P242G233-S238 WeakPolarHBondContact O-CA 3.43Å; G233-S238 PolarHBondContact O-N 3.06Å; S238-L240 PolarHBondContact O-N 3.4Å; S238-P242 WeakPolarHBondContact O-CD 3.14Å
239Y84.2Confident86.9Confident128 Ų12856.8 Ų56.850%0.50227%0.272SS..THydrogen-bonded Turntrans-70.1-15.5178.9-61.5-70.3000114.1L170 W237 D241 P242 I243L170-Y239 HydrophobicContact CD1-CD1 3.71Å; L170-Y239 HydrophobicContact CD1-CG 4.43Å; W237-Y239 PolarHBondContact O-N 3.09Å; Y239-D241 PolarHBondContact O-N 3.43Å; Y239-P242 WeakPolarHBondContact O-CD 3.38Å; Y239-I243 WeakPolarHBondContact O-CB 3.48Å; Y239-I243 WeakPolarHBondContact O-CD1 3.32Å; Y239-I243 WeakPolarHBondContact O-CG1 3.41Å; Y239-I243 PolarHBondContact O-N 3.46Å
240L85.8Confident87.3Confident50 Ų5060.1 Ų60.126%0.26229%0.288SS..Hα-helixtrans-65.6-27.3178.8-70.9174000112.9L232 W237 S238 G244L232-L240 HydrophobicContact CB-CD1 3.85Å; W237-L240 HydrophobicContact CB-CD1 3.82Å; W237-L240 HydrophobicContact CB-CG 3.81Å; W237-L240 VanDerWaalsContact O-CB 3.29Å; W237-L240 WeakPolarHBondContact O-CB 3.31Å; W237-L240 WeakPolarHBondContact O-CG 3.48Å; W237-L240 PolarHBondContact O-N 2.93Å; S238-L240 PolarHBondContact O-N 3.4Å; L240-G244 PolarHBondContact O-N 3.22Å
241D87.2Confident87.7Confident0 Ų064.6 Ų64.60%031%0.305CS..Hα-helixtrans-69-53.5179-178.468.6000112.2S101 L102 S103 P177 Y239 I243 G244 A245S101-D241 VanDerWaalsContact OG-CG 3.27Å; S101-D241 PolarHBondContact OG-OD1 2.84Å; S101-D241 PolarHBondContact OG-OD2 3.11Å; L102-D241 PolarHBondContact N-OD2 3.27Å; S103-D241 WeakPolarHBondContact CB-OD1 3.41Å; S103-D241 PolarHBondContact N-OD1 3.36Å; S103-D241 PolarHBondContact OG-OD1 3.1Å; P177-D241 HydrophobicContact CG-CB 4.22Å; Y239-D241 PolarHBondContact O-N 3.43Å; D241-I243 PolarHBondContact O-N 3.45Å; D241-G244 PolarHBondContact O-N 3.29Å; D241-A245 PolarHBondContact O-N 3.09Å
242P88.3Confident88Confident5 Ų558.7 Ų58.73%0.03228%0.282CS..Hα-helixtrans-59-41.2171.3-13.414.5000113.5L102 L170 S238 Y239 G244 A245 I246L102-P242 HydrophobicContact CD1-CB 3.88Å; L102-P242 HydrophobicContact CD1-CG 3.82Å; L170-P242 HydrophobicContact CB-CB 4.38Å; L170-P242 HydrophobicContact CD1-CB 4.13Å; L170-P242 HydrophobicContact CD1-CG 4.3Å; S238-P242 WeakPolarHBondContact O-CD 3.14Å; Y239-P242 WeakPolarHBondContact O-CD 3.38Å; P242-G244 VanDerWaalsContact C-N 3.33Å; P242-G244 PolarHBondContact O-N 2.99Å; P242-A245 PolarHBondContact O-N 3.26Å; P242-I246 WeakPolarHBondContact O-CG1 3.25Å; P242-I246 PolarHBondContact O-N 3.27Å
243I90.9Very high88.4Confident70 Ų7057 Ų5736%0.35928%0.276SS..Hα-helixtrans-62.5-43.2178.1-67.6167.4000110.3L170 Y239 D241 A245 I246 L247L170-I243 HydrophobicContact CD1-CG1 4.43Å; Y239-I243 WeakPolarHBondContact O-CB 3.48Å; Y239-I243 WeakPolarHBondContact O-CD1 3.32Å; Y239-I243 WeakPolarHBondContact O-CG1 3.41Å; Y239-I243 PolarHBondContact O-N 3.46Å; D241-I243 PolarHBondContact O-N 3.45Å; I243-A245 PolarHBondContact O-N 2.88Å; I243-I246 PolarHBondContact O-N 3.47Å; I243-L247 HydrophobicContact CG2-CD1 4.09Å; I243-L247 HydrophobicContact CG2-CG 4.39Å; I243-L247 WeakPolarHBondContact O-CG 3.41Å; I243-L247 PolarHBondContact O-N 3.23Å
244G90.7Very high88.9Confident3 Ų358.5 Ų58.53%0.03129%0.29CS..Hα-helixtrans-57.8-47.5174.400000112.4C229 L240 D241 P242 I246 L247 I248C229-G244 WeakPolarHBondContact SG-CA 3.25Å; L240-G244 PolarHBondContact O-N 3.22Å; D241-G244 PolarHBondContact O-N 3.29Å; P242-G244 VanDerWaalsContact C-N 3.33Å; P242-G244 PolarHBondContact O-N 2.99Å; G244-I246 VanDerWaalsContact C-N 3.31Å; G244-I246 PolarHBondContact O-N 3.27Å; G244-L247 PolarHBondContact O-N 2.77Å; G244-I248 WeakPolarHBondContact O-CD1 3.5Å; G244-I248 WeakPolarHBondContact O-CG1 3.47Å; G244-I248 PolarHBondContact O-N 3.28Å
245A91.7Very high89.5Confident0 Ų056.3 Ų56.30%028%0.275CS..Hα-helixtrans-59-40.6176.500000112.5L102 S166 D241 P242 I243 S249L102-A245 HydrophobicContact CB-CB 4.37Å; S166-A245 WeakPolarHBondContact OG-CB 3.26Å; D241-A245 PolarHBondContact O-N 3.09Å; P242-A245 PolarHBondContact O-N 3.26Å; I243-A245 PolarHBondContact O-N 2.88Å; A245-S249 VanDerWaalsContact O-CB 3.27Å; A245-S249 WeakPolarHBondContact O-CB 3.49Å; A245-S249 PolarHBondContact O-N 3.42Å; A245-S249 PolarHBondContact O-OG 2.98Å
246I93.1Very high90.1Very high28 Ų2849.9 Ų49.914%0.14425%0.245CC..Hα-helixtrans-63.9-49.4175.5-66.8166.3000111S166 V167 P242 I243 G244 I248 S249 L250S166-I246 VanDerWaalsContact CB-CG1 3.49Å; V167-I246 HydrophobicContact CG2-CD1 3.77Å; V167-I246 HydrophobicContact CG2-CG1 4.29Å; P242-I246 WeakPolarHBondContact O-CG1 3.25Å; P242-I246 PolarHBondContact O-N 3.27Å; I243-I246 PolarHBondContact O-N 3.47Å; G244-I246 VanDerWaalsContact C-N 3.31Å; G244-I246 PolarHBondContact O-N 3.27Å; I246-I248 PolarHBondContact O-N 3.03Å; I246-S249 PolarHBondContact O-N 3.43Å; I246-L250 HydrophobicContact CG2-CD1 3.88Å; I246-L250 HydrophobicContact CG2-CG 4.36Å; I246-L250 WeakPolarHBondContact O-CB 3.42Å; I246-L250 WeakPolarHBondContact O-CG 3.26Å; I246-L250 PolarHBondContact O-N 3.29Å
247L93.6Very high90.7Very high110 Ų11049.3 Ų49.358%0.57625%0.246SC*.Hα-helixtrans-62-44.4-178-70.9176.6000112.1I243 G244 L250 Y251I243-L247 HydrophobicContact CG2-CD1 4.09Å; I243-L247 HydrophobicContact CG2-CG 4.39Å; I243-L247 WeakPolarHBondContact O-CG 3.41Å; I243-L247 PolarHBondContact O-N 3.23Å; G244-L247 PolarHBondContact O-N 2.77Å; L247-L250 PolarHBondContact O-N 2.86Å; L247-Y251 PolarHBondContact O-N 2.99Å
248I92.8Very high91.4Very high10 Ų1046.3 Ų46.35%0.05124%0.242CC..Hα-helixtrans-61.1-47.6176-64.7161.8000109.8S225 A226 G244 I246 L250 Y251 L252S225-I248 VanDerWaalsContact CB-CD1 3.47Å; A226-I248 HydrophobicContact CB-CD1 4.42Å; G244-I248 WeakPolarHBondContact O-CD1 3.5Å; G244-I248 WeakPolarHBondContact O-CG1 3.47Å; G244-I248 PolarHBondContact O-N 3.28Å; I246-I248 PolarHBondContact O-N 3.03Å; I248-L250 VanDerWaalsContact C-N 3.34Å; I248-L250 PolarHBondContact O-N 2.8Å; I248-Y251 WeakPolarHBondContact O-CB 3.34Å; I248-Y251 PolarHBondContact O-N 2.9Å; I248-Y251 VanDerWaalsContact O-N 3.14Å; I248-L252 HydrophobicContact CG2-CD1 3.88Å; I248-L252 HydrophobicContact CG2-CG 4.23Å; I248-L252 WeakPolarHBondContact O-CG 3.32Å; I248-L252 PolarHBondContact O-N 3.24Å
249S93.3Very high92.1Very high1 Ų144 Ų441%0.00723%0.226CC..Hα-helixtrans-66.3-35-177.8-56.40000112.7S159 V162 A245 I246 S253S159-S249 WeakPolarHBondContact CB-O 3.45Å; S159-S249 WeakPolarHBondContact O-CB 3.4Å; V162-S249 WeakPolarHBondContact CG1-OG 3.4Å; A245-S249 VanDerWaalsContact O-CB 3.27Å; A245-S249 WeakPolarHBondContact O-CB 3.49Å; A245-S249 PolarHBondContact O-N 3.42Å; A245-S249 PolarHBondContact O-OG 2.98Å; I246-S249 PolarHBondContact O-N 3.43Å; S249-S253 WeakPolarHBondContact O-CB 3.47Å; S249-S253 PolarHBondContact O-N 2.88Å
250L95Very high92.5Very high95 Ų9538.2 Ų38.250%0.49721%0.206SC..Hα-helixtrans-63.3-44.2171.6-77.4170.4000111.5I163 I246 L247 I248 G254I163-L250 HydrophobicContact CD1-CD2 3.71Å; I163-L250 HydrophobicContact CD1-CG 3.91Å; I246-L250 HydrophobicContact CG2-CD1 3.88Å; I246-L250 HydrophobicContact CG2-CG 4.36Å; I246-L250 WeakPolarHBondContact O-CB 3.42Å; I246-L250 WeakPolarHBondContact O-CG 3.26Å; I246-L250 PolarHBondContact O-N 3.29Å; L247-L250 PolarHBondContact O-N 2.86Å; I248-L250 VanDerWaalsContact C-N 3.34Å; I248-L250 PolarHBondContact O-N 2.8Å; L250-G254 PolarHBondContact O-N 3.31Å
251Y93.9Very high93Very high97 Ų9738.6 Ų38.638%0.3821%0.207SC..Hα-helixtrans-60.7-48.9175.9171.5-96.2000111.8I221 L247 I248 G254 S255I221-Y251 HydrophobicContact CD1-CE1 4.06Å; I221-Y251 WeakPolarHBondContact CD1-OH 3.33Å; I221-Y251 HydrophobicContact CG2-CD1 4.39Å; I221-Y251 HydrophobicContact CG2-CE1 4.1Å; L247-Y251 PolarHBondContact O-N 2.99Å; I248-Y251 WeakPolarHBondContact O-CB 3.34Å; I248-Y251 PolarHBondContact O-N 2.9Å; I248-Y251 VanDerWaalsContact O-N 3.14Å; Y251-G254 PolarHBondContact O-N 3.46Å; Y251-S255 WeakPolarHBondContact O-CB 3.4Å; Y251-S255 PolarHBondContact O-N 3.24Å
252L92.6Very high93.3Very high3 Ų342.9 Ų42.92%0.01622%0.223CC..Hα-helixtrans-61.7-49.7179-67.3176.3000110.9N218 I248 G254 S255 W256N218-L252 HydrophobicContact CB-CD2 3.71Å; I248-L252 HydrophobicContact CG2-CD1 3.88Å; I248-L252 HydrophobicContact CG2-CG 4.23Å; I248-L252 WeakPolarHBondContact O-CG 3.32Å; I248-L252 PolarHBondContact O-N 3.24Å; L252-G254 PolarHBondContact O-N 3.44Å; L252-S255 WeakPolarHBondContact O-CB 3.21Å; L252-S255 PolarHBondContact O-N 2.96Å; L252-W256 PolarHBondContact O-N 3.2Å
253S94.3Very high93.5Very high28 Ų2842.8 Ų42.820%0.19622%0.223CC..Hα-helixtrans-55.6-47.5177.4-176.80000112S249 W256 M257S249-S253 WeakPolarHBondContact O-CB 3.47Å; S249-S253 PolarHBondContact O-N 2.88Å; S253-W256 PolarHBondContact O-N 3.48Å; S253-M257 VanDerWaalsContact O-CB 3.31Å; S253-M257 WeakPolarHBondContact O-CB 3.47Å; S253-M257 PolarHBondContact O-N 2.99Å
254G95Very high93.6Very high32 Ų3243.8 Ų43.833%0.3323%0.227SC..Hα-helixtrans-62.9-43176.600000113.4L250 Y251 L252 W256 M257 I258L250-G254 PolarHBondContact O-N 3.31Å; Y251-G254 PolarHBondContact O-N 3.46Å; L252-G254 PolarHBondContact O-N 3.44Å; G254-W256 PolarHBondContact O-N 3.38Å; G254-M257 PolarHBondContact O-N 3.38Å; G254-I258 VanDerWaalsContact O-CG1 3.31Å; G254-I258 WeakPolarHBondContact O-CG1 3.22Å; G254-I258 PolarHBondContact O-N 3.18Å
255S93.2Very high93.7Very high17 Ų1750.7 Ų50.712%0.11925%0.252CS..Hα-helixtrans-60-45.6177.3-171.50000111.8N218 Y251 L252 T259N218-S255 PolarHBondContact ND2-OG 3.09Å; Y251-S255 WeakPolarHBondContact O-CB 3.4Å; Y251-S255 PolarHBondContact O-N 3.24Å; L252-S255 WeakPolarHBondContact O-CB 3.21Å; L252-S255 PolarHBondContact O-N 2.96Å; S255-T259 WeakPolarHBondContact O-CB 3.34Å; S255-T259 PolarHBondContact O-N 2.93Å; S255-T259 VanDerWaalsContact O-N 3.14Å; S255-T259 PolarHBondContact O-OG1 2.87Å
256W93.9Very high93.6Very high1 Ų151.8 Ų51.80%0.00426%0.258CS..Hα-helixtrans-71-38.6177.8-70.8117000112.5I151 S152 M155 I211 D215 L252 S253 G254 T259 G260I151-W256 HydrophobicContact CG2-CH2 4.37Å; I151-W256 HydrophobicContact CG2-CZ3 4.03Å; S152-W256 WeakPolarHBondContact CB-O 3.21Å; M155-W256 HydrophobicContact CB-CB 4.23Å; M155-W256 VanDerWaalsContact CB-CD1 3.47Å; M155-W256 HydrophobicContact CB-CD2 3.53Å; M155-W256 HydrophobicContact CB-CE3 4.19Å; M155-W256 HydrophobicContact CB-CG 3.5Å; M155-W256 HydrophobicContact CB-CZ2 4.29Å; M155-W256 HydrophobicContact CE-CH2 4.46Å; M155-W256 HydrophobicContact CE-CZ2 3.54Å; M155-W256 HydrophobicContact CG-CD2 3.83Å; M155-W256 HydrophobicContact CG-CE3 4.15Å; M155-W256 HydrophobicContact CG-CG 4.34Å; M155-W256 HydrophobicContact CG-CH2 4.12Å; M155-W256 HydrophobicContact CG-CZ2 3.82Å; M155-W256 HydrophobicContact CG-CZ3 4.28Å; M155-W256 HydrophobicContact SD-CZ2 4.36Å; I211-W256 HydrophobicContact CG2-CH2 4.38Å; I211-W256 HydrophobicContact CG2-CZ3 4.09Å; D215-W256 HydrophobicContact CB-CH2 4.25Å; D215-W256 HydrophobicContact CB-CZ2 4.46Å; D215-W256 WeakPolarHBondContact OD1-CH2 3.47Å; D215-W256 VanDerWaalsContact OD1-CZ2 3.27Å; D215-W256 WeakPolarHBondContact OD1-CZ2 3.42Å; L252-W256 PolarHBondContact O-N 3.2Å; S253-W256 PolarHBondContact O-N 3.48Å; G254-W256 PolarHBondContact O-N 3.38Å; W256-T259 WeakPolarHBondContact O-CB 3.41Å; W256-T259 PolarHBondContact O-N 3.33Å; W256-T259 VanDerWaalsContact O-N 3.16Å; W256-G260 PolarHBondContact O-N 3.5Å
257M95.4Very high93.5Very high118 Ų11854.2 Ų54.258%0.58127%0.27SS*.Hα-helixtrans-60.9-47175.3-174.760.6167.700112.1S253 G254 T259 G260 I261S253-M257 VanDerWaalsContact O-CB 3.31Å; S253-M257 WeakPolarHBondContact O-CB 3.47Å; S253-M257 PolarHBondContact O-N 2.99Å; G254-M257 PolarHBondContact O-N 3.38Å; M257-T259 PolarHBondContact O-N 3.16Å; M257-G260 PolarHBondContact O-N 3.42Å; M257-I261 HydrophobicContact CE-CD1 4.21Å; M257-I261 HydrophobicContact CG-CD1 4.14Å; M257-I261 WeakPolarHBondContact O-CG1 3.32Å; M257-I261 PolarHBondContact O-N 3.19Å; M257-I261 HydrophobicContact SD-CD1 4.45Å
258I95.2Very high93.4Very high124 Ų12453.9 Ų53.964%0.63628%0.277SS*.Hα-helixtrans-59.8-39.5175.5-68.9167.1000110.7G254 R262G254-I258 VanDerWaalsContact O-CG1 3.31Å; G254-I258 WeakPolarHBondContact O-CG1 3.22Å; G254-I258 PolarHBondContact O-N 3.18Å; I258-R262 WeakPolarHBondContact O-CB 3.28Å; I258-R262 PolarHBondContact O-N 3.32Å
259T93.2Very high93.2Very high4 Ų454.7 Ų54.73%0.02529%0.287CS..Hα-helixtrans-66.4-45.9178.7-58.50000111.5I211 Q214 S255 W256 M257 R262 Q263I211-T259 HydrophobicContact CD1-CG2 3.69Å; Q214-T259 PolarHBondContact NE2-OG1 3.39Å; S255-T259 WeakPolarHBondContact O-CB 3.34Å; S255-T259 PolarHBondContact O-N 2.93Å; S255-T259 VanDerWaalsContact O-N 3.14Å; S255-T259 PolarHBondContact O-OG1 2.87Å; W256-T259 WeakPolarHBondContact O-CB 3.41Å; W256-T259 PolarHBondContact O-N 3.33Å; W256-T259 VanDerWaalsContact O-N 3.16Å; M257-T259 PolarHBondContact O-N 3.16Å; T259-R262 WeakPolarHBondContact O-CB 3.45Å; T259-R262 PolarHBondContact O-N 3.14Å; T259-Q263 WeakPolarHBondContact O-CG 3.28Å; T259-Q263 PolarHBondContact O-N 3.02Å
260G94.3Very high93.2Very high7 Ų760.2 Ų60.27%0.07231%0.311CS..Hα-helixtrans-58-49.1175.200000111.7S152 W256 M257 R262 Q263 M264S152-G260 PolarHBondContact OG-N 2.78Å; W256-G260 PolarHBondContact O-N 3.5Å; M257-G260 PolarHBondContact O-N 3.42Å; G260-R262 VanDerWaalsContact C-N 3.31Å; G260-R262 PolarHBondContact O-N 2.68Å; G260-Q263 PolarHBondContact O-N 3.15Å; G260-M264 WeakPolarHBondContact O-CG 3.21Å; G260-M264 PolarHBondContact O-N 2.65Å
261I95.1Very high93.1Very high57 Ų5758.4 Ų58.429%0.29231%0.31SS..Hα-helixtrans-59.4-41.5176.7-66.2166.1000111.4M257 M264 R265M257-I261 HydrophobicContact CE-CD1 4.21Å; M257-I261 HydrophobicContact CG-CD1 4.14Å; M257-I261 WeakPolarHBondContact O-CG1 3.32Å; M257-I261 PolarHBondContact O-N 3.19Å; M257-I261 HydrophobicContact SD-CD1 4.45Å; I261-M264 HydrophobicContact CB-CE 4.4Å; I261-M264 HydrophobicContact CG1-CE 3.98Å; I261-M264 PolarHBondContact O-N 3.1Å; I261-R265 WeakPolarHBondContact O-CG 3.31Å; I261-R265 PolarHBondContact O-N 3.43Å
262R92.8Very high93.1Very high91 Ų9154 Ų5434%0.34329%0.294SS..Hα-helixtrans-62.7-44.5177.1-177.2178.565.1173.8-5.2111.6I258 T259 G260 R265 I266I258-R262 WeakPolarHBondContact O-CB 3.28Å; I258-R262 PolarHBondContact O-N 3.32Å; T259-R262 WeakPolarHBondContact O-CB 3.45Å; T259-R262 PolarHBondContact O-N 3.14Å; G260-R262 VanDerWaalsContact C-N 3.31Å; G260-R262 PolarHBondContact O-N 2.68Å; R262-R265 PolarHBondContact O-N 3.06Å; R262-I266 HydrophobicContact CG-CD1 4.43Å; R262-I266 WeakPolarHBondContact O-CG1 3.24Å; R262-I266 PolarHBondContact O-N 3.29Å
263Q92.5Very high93Very high3 Ų357.9 Ų57.91%0.01431%0.314CS..Hα-helixtrans-70.1-38.2179.7-64.5-61.9-16.300111.8L148 V149 T259 G260 R265 I266 I267L148-Q263 HydrophobicContact CB-CB 4.5Å; L148-Q263 HydrophobicContact CB-CG 3.83Å; L148-Q263 HydrophobicContact CD1-CG 4.36Å; V149-Q263 HydrophobicContact CG2-CB 3.57Å; T259-Q263 WeakPolarHBondContact O-CG 3.28Å; T259-Q263 PolarHBondContact O-N 3.02Å; G260-Q263 PolarHBondContact O-N 3.15Å; Q263-R265 VanDerWaalsContact C-N 3.34Å; Q263-R265 PolarHBondContact O-N 3.45Å; Q263-I266 WeakPolarHBondContact O-CB 3.48Å; Q263-I266 PolarHBondContact O-N 2.79Å; Q263-I266 VanDerWaalsContact O-N 3.13Å; Q263-I267 WeakPolarHBondContact O-CG1 3.49Å; Q263-I267 PolarHBondContact O-N 3.39Å
264M93.2Very high92.8Very high91 Ų9160.3 Ų60.345%0.44833%0.329SS..Hα-helixtrans-57.7-45.9171.8-73-170-64.700111.5V149 G260 I261 I266 I267 S268V149-M264 HydrophobicContact CG1-CG 3.98Å; V149-M264 HydrophobicContact CG2-CG 3.82Å; G260-M264 WeakPolarHBondContact O-CG 3.21Å; G260-M264 PolarHBondContact O-N 2.65Å; I261-M264 HydrophobicContact CB-CE 4.4Å; I261-M264 HydrophobicContact CG1-CE 3.98Å; I261-M264 PolarHBondContact O-N 3.1Å; M264-I266 VanDerWaalsContact C-N 3.28Å; M264-I266 PolarHBondContact O-N 2.94Å; M264-I267 PolarHBondContact O-N 3.5Å; M264-I267 VanDerWaalsContact O-N 3.13Å; M264-S268 PolarHBondContact O-N 2.95Å; M264-S268 PolarHBondContact O-OG 3.49Å; M264-S268 VanDerWaalsContact O-OG 3.06Å
265R92.7Very high92.5Very high147 Ų14760 Ų6056%0.55532%0.32SS*.Hα-helixtrans-58.9-38175.3-72.7171.8176.7169.7-2.2112.9I261 R262 Q263 S268 K270I261-R265 WeakPolarHBondContact O-CG 3.31Å; I261-R265 PolarHBondContact O-N 3.43Å; R262-R265 PolarHBondContact O-N 3.06Å; Q263-R265 VanDerWaalsContact C-N 3.34Å; Q263-R265 PolarHBondContact O-N 3.45Å; R265-S268 PolarHBondContact O-N 3.34Å; R265-K270 HydrophobicContact CB-CB 4.5Å; R265-K270 HydrophobicContact CB-CD 4.26Å; R265-K270 WeakPolarHBondContact O-CB 3.32Å; R265-K270 PolarHBondContact O-N 3.02Å; R265-K270 VanDerWaalsContact O-N 3.16Å
266I90.8Very high92.4Very high24 Ų2460.3 Ų60.312%0.12332%0.32CS..Hα-helixtrans-65.3-43.8176.3-69.9168.1000110.2P145 R262 Q263 M264 S268 G269 H301 G303P145-I266 HydrophobicContact CB-CG2 4.4Å; R262-I266 HydrophobicContact CG-CD1 4.43Å; R262-I266 WeakPolarHBondContact O-CG1 3.24Å; R262-I266 PolarHBondContact O-N 3.29Å; Q263-I266 WeakPolarHBondContact O-CB 3.48Å; Q263-I266 PolarHBondContact O-N 2.79Å; Q263-I266 VanDerWaalsContact O-N 3.13Å; M264-I266 VanDerWaalsContact C-N 3.28Å; M264-I266 PolarHBondContact O-N 2.94Å; I266-S268 VanDerWaalsContact C-N 3.29Å; I266-S268 PolarHBondContact O-N 3.3Å; I266-G269 PolarHBondContact O-N 2.63Å; I266-H301 HydrophobicContact CB-CB 4.5Å; I266-H301 HydrophobicContact CG2-CB 3.88Å; I266-H301 WeakPolarHBondContact O-CB 3.42Å; I266-G303 VanDerWaalsContact CG2-O 3.24Å; I266-G303 WeakPolarHBondContact CG2-O 3.39Å
267I90.3Very high92.3Very high79 Ų7962.9 Ų62.941%0.40533%0.332SS..Hα-helixtrans-63.7-36177.3-63.7167.8000111.4P145 L146 V149 Q263 M264 G269P145-I267 HydrophobicContact CB-CD1 4.2Å; P145-I267 HydrophobicContact CB-CG1 3.77Å; P145-I267 HydrophobicContact CG-CG1 3.89Å; L146-I267 HydrophobicContact CB-CD1 4.29Å; L146-I267 HydrophobicContact CD1-CD1 4.45Å; V149-I267 HydrophobicContact CG2-CD1 3.71Å; Q263-I267 WeakPolarHBondContact O-CG1 3.49Å; Q263-I267 PolarHBondContact O-N 3.39Å; M264-I267 PolarHBondContact O-N 3.5Å; M264-I267 VanDerWaalsContact O-N 3.13Å; I267-G269 PolarHBondContact O-N 2.99Å; I267-G269 VanDerWaalsContact O-N 3.15Å
268S91.2Very high92.1Very high103 Ų10359.4 Ų59.472%0.7232%0.32SS*.THydrogen-bonded Turntrans-72.97.6177.3-57.30000114.6M264 R265 I266M264-S268 PolarHBondContact O-N 2.95Å; M264-S268 PolarHBondContact O-OG 3.49Å; M264-S268 VanDerWaalsContact O-OG 3.06Å; R265-S268 PolarHBondContact O-N 3.34Å; I266-S268 VanDerWaalsContact C-N 3.29Å; I266-S268 PolarHBondContact O-N 3.3Å
269G90.1Very high92Very high26 Ų2654 Ų5427%0.26829%0.292SS..THydrogen-bonded Turntrans77.534.7177.500000113.8I266 I267 A271 Y300 H301I266-G269 PolarHBondContact O-N 2.63Å; I267-G269 PolarHBondContact O-N 2.99Å; I267-G269 VanDerWaalsContact O-N 3.15Å; G269-A271 PolarHBondContact O-N 3.4Å; G269-Y300 WeakPolarHBondContact O-CB 3.37Å; G269-H301 WeakPolarHBondContact CA-O 3.46Å
270K92.4Very high92Very high118 Ų11853.9 Ų53.951%0.51329%0.291SS..PPolyproline II helixtrans-53.4134.8174.7177.1175.9179.5-179.30110.9R265 H301R265-K270 HydrophobicContact CB-CB 4.5Å; R265-K270 HydrophobicContact CB-CD 4.26Å; R265-K270 WeakPolarHBondContact O-CB 3.32Å; R265-K270 PolarHBondContact O-N 3.02Å; R265-K270 VanDerWaalsContact O-N 3.16Å; K270-H301 PolarHBondContact O-CD2 3.04Å; K270-H301 VanDerWaalsContact O-CD2 3.25Å; K270-H301 PolarHBondContact O-N 3.04Å
271A93.6Very high92Very high57 Ų5755.7 Ų55.747%0.47130%0.3SS..BIsolated β-bridgetrans-53.5143.6175.100000112.4G269G269-A271 PolarHBondContact O-N 3.4Å
272A92.6Very high91.8Very high5 Ų555.7 Ų55.74%0.04130%0.299CS..PPolyproline II helixtrans-60.8161.5173.300000110.8I276 A299 Y306A272-I276 HydrophobicContact CB-CB 4.09Å; A272-I276 HydrophobicContact CB-CG2 4.11Å; A272-A299 HydrophobicContact CB-CB 3.76Å; A272-A299 VanDerWaalsContact CB-O 3.28Å; A272-A299 WeakPolarHBondContact CB-O 3.44Å; A272-A299 PolarHBondContact N-O 3.4Å; A272-Y306 HydrophobicContact CB-CD1 3.65Å; A272-Y306 HydrophobicContact CB-CE1 3.47Å; A272-Y306 VanDerWaalsContact CB-CE1 3.47Å; A272-Y306 HydrophobicContact CB-CG 4.41Å
273N90.7Very high91.8Very high83 Ų8352.3 Ų52.344%0.44429%0.287SS..PPolyproline II helixtrans-58.8138.8172.4-172-41000109.3L275 I276 Q277N273-L275 PolarHBondContact O-N 3.01Å; N273-L275 PolarHBondContact OD1-N 2.92Å; N273-L275 VanDerWaalsContact OD1-N 3.1Å; N273-I276 HydrophobicContact CB-CG1 4.45Å; N273-I276 WeakPolarHBondContact O-CB 3.48Å; N273-I276 PolarHBondContact O-N 3.43Å; N273-Q277 PolarHBondContact O-N 2.8Å
274P89.7Confident91.9Very high79 Ų7952.2 Ų52.251%0.51329%0.286SS..Hα-helixtrans-48.8-30.5175.3-31.234.7000114.4I276 Q277 S278P274-I276 VanDerWaalsContact C-N 3.33Å; P274-I276 PolarHBondContact O-N 2.97Å; P274-Q277 PolarHBondContact O-N 3.24Å; P274-S278 PolarHBondContact O-N 3.29Å; P274-S278 PolarHBondContact O-OG 3.45Å; P274-S278 VanDerWaalsContact O-OG 3.05Å
275L89.1Confident91.8Very high25 Ų2552.7 Ų52.713%0.13129%0.29CS..Hα-helixtrans-59.6-40.2173.6-67.5173.2000113K33 L37 N273 Q279K33-L275 HydrophobicContact CG-CD2 4.15Å; L37-L275 HydrophobicContact CB-CD2 4.14Å; L37-L275 HydrophobicContact CD1-CD2 3.91Å; L37-L275 HydrophobicContact CD2-CD2 4.5Å; L37-L275 HydrophobicContact CG-CD2 4.41Å; N273-L275 PolarHBondContact O-N 3.01Å; N273-L275 PolarHBondContact OD1-N 2.92Å; N273-L275 VanDerWaalsContact OD1-N 3.1Å; L275-Q279 VanDerWaalsContact C-NE2 3.3Å; L275-Q279 WeakPolarHBondContact O-CG 3.32Å; L275-Q279 PolarHBondContact O-N 2.83Å; L275-Q279 VanDerWaalsContact O-N 3.07Å; L275-Q279 PolarHBondContact O-NE2 3.49Å
276I90.9Very high91.7Very high24 Ų2449.5 Ų49.512%0.12328%0.284CS..Hα-helixtrans-70.8-40.6178.3-61.3-67.5000110.2A272 N273 P274 S278 Q279 I280 Y306 Y339A272-I276 HydrophobicContact CB-CB 4.09Å; A272-I276 HydrophobicContact CB-CG2 4.11Å; N273-I276 HydrophobicContact CB-CG1 4.45Å; N273-I276 WeakPolarHBondContact O-CB 3.48Å; N273-I276 PolarHBondContact O-N 3.43Å; P274-I276 VanDerWaalsContact C-N 3.33Å; P274-I276 PolarHBondContact O-N 2.97Å; I276-S278 VanDerWaalsContact C-N 3.35Å; I276-S278 PolarHBondContact O-N 3.37Å; I276-Q279 WeakPolarHBondContact O-CB 3.28Å; I276-Q279 PolarHBondContact O-N 3.42Å; I276-I280 HydrophobicContact CG2-CD1 3.89Å; I276-I280 WeakPolarHBondContact O-CG1 3.29Å; I276-I280 PolarHBondContact O-N 2.86Å; I276-Y306 HydrophobicContact CG1-CE2 4.43Å; I276-Y306 HydrophobicContact CG2-CD2 4.39Å; I276-Y306 HydrophobicContact CG2-CE2 4.39Å; I276-Y339 HydrophobicContact CD1-CD2 4.49Å; I276-Y339 HydrophobicContact CD1-CE1 4.4Å; I276-Y339 HydrophobicContact CD1-CE2 4.19Å; I276-Y339 HydrophobicContact CG2-CD2 4.28Å; I276-Y339 HydrophobicContact CG2-CE2 3.79Å
277Q92.5Very high91.8Very high56 Ų5649.6 Ų49.626%0.26228%0.284SS..Hα-helixtrans-60.1-46.1174.3-68.6177.1-5.500110.9N273 P274 Q279 I280 T281 A299N273-Q277 PolarHBondContact O-N 2.8Å; P274-Q277 PolarHBondContact O-N 3.24Å; Q277-Q279 VanDerWaalsContact C-N 3.32Å; Q277-Q279 PolarHBondContact O-N 3.13Å; Q277-I280 PolarHBondContact O-N 3.38Å; Q277-T281 PolarHBondContact O-N 3.04Å; Q277-T281 PolarHBondContact O-OG1 3.46Å; Q277-A299 HydrophobicContact CG-CB 4.2Å
278S92.1Very high91.7Very high45 Ų4548.1 Ų48.132%0.31528%0.275SS..Hα-helixtrans-61.5-36.4175.8-56.70000113.5Y41 P274 I276 K282Y41-S278 WeakPolarHBondContact OH-CB 3.13Å; Y41-S278 PolarHBondContact OH-O 3.06Å; P274-S278 PolarHBondContact O-N 3.29Å; P274-S278 PolarHBondContact O-OG 3.45Å; P274-S278 VanDerWaalsContact O-OG 3.05Å; I276-S278 VanDerWaalsContact C-N 3.35Å; I276-S278 PolarHBondContact O-N 3.37Å; S278-K282 WeakPolarHBondContact O-CB 3.41Å; S278-K282 PolarHBondContact O-N 3.05Å
279Q91.9Very high91.7Very high11 Ų1149 Ų495%0.05128%0.279CS..Hα-helixtrans-60-50.8172.9-80.4162.2102.700111.7L37 Y41 D44 L275 I276 Q277 T281 K282 I283L37-Q279 HydrophobicContact CD1-CG 4.29Å; Y41-Q279 HydrophobicContact CD1-CB 4.2Å; Y41-Q279 HydrophobicContact CD1-CG 3.52Å; Y41-Q279 VanDerWaalsContact CE1-CA 3.41Å; Y41-Q279 HydrophobicContact CE1-CB 4.07Å; Y41-Q279 HydrophobicContact CE1-CG 3.54Å; D44-Q279 WeakPolarHBondContact OD2-CB 3.4Å; D44-Q279 WeakPolarHBondContact OD2-CG 3.29Å; D44-Q279 PolarHBondContact OD2-OE1 2.73Å; L275-Q279 VanDerWaalsContact C-NE2 3.3Å; L275-Q279 WeakPolarHBondContact O-CG 3.32Å; L275-Q279 PolarHBondContact O-N 2.83Å; L275-Q279 VanDerWaalsContact O-N 3.07Å; L275-Q279 PolarHBondContact O-NE2 3.49Å; I276-Q279 WeakPolarHBondContact O-CB 3.28Å; I276-Q279 PolarHBondContact O-N 3.42Å; Q277-Q279 VanDerWaalsContact C-N 3.32Å; Q277-Q279 PolarHBondContact O-N 3.13Å; Q279-T281 PolarHBondContact O-N 3.32Å; Q279-K282 PolarHBondContact O-N 3.04Å; Q279-I283 WeakPolarHBondContact O-CG1 3.31Å; Q279-I283 PolarHBondContact O-N 3.13Å; Q279-I283 VanDerWaalsContact O-N 3.07Å
280I93.6Very high91.7Very high0 Ų052.8 Ų52.80%029%0.287CS..Hα-helixtrans-63.9-44.5178.9-64.2160.9000110.6I276 Q277 K282 I283 C284 V297 A299 V308 V310 I334 L337I276-I280 HydrophobicContact CG2-CD1 3.89Å; I276-I280 WeakPolarHBondContact O-CG1 3.29Å; I276-I280 PolarHBondContact O-N 2.86Å; Q277-I280 PolarHBondContact O-N 3.38Å; I280-K282 VanDerWaalsContact C-N 3.31Å; I280-K282 PolarHBondContact O-N 3.26Å; I280-I283 WeakPolarHBondContact O-CB 3.45Å; I280-I283 PolarHBondContact O-N 3.5Å; I280-C284 PolarHBondContact O-N 3.09Å; I280-C284 PolarHBondContact O-SG 2.84Å; I280-V297 HydrophobicContact CB-CG1 3.98Å; I280-V297 HydrophobicContact CG2-CG1 3.55Å; I280-A299 HydrophobicContact CD1-CB 3.69Å; I280-V308 HydrophobicContact CD1-CB 4.47Å; I280-V308 HydrophobicContact CD1-CG1 3.94Å; I280-V308 HydrophobicContact CD1-CG2 3.62Å; I280-V308 HydrophobicContact CG2-CG1 3.8Å; I280-V310 HydrophobicContact CG2-CG2 4.15Å; I280-I334 HydrophobicContact CG2-CD1 4.1Å; I280-L337 HydrophobicContact CG1-CD1 4.46Å
281T93.8Very high91.6Very high45 Ų4548.5 Ų48.528%0.27627%0.269SS..Hα-helixtrans-59-42.6176.8-55.40000111.6Q277 Q279 I283 C284 I285Q277-T281 PolarHBondContact O-N 3.04Å; Q277-T281 PolarHBondContact O-OG1 3.46Å; Q279-T281 PolarHBondContact O-N 3.32Å; T281-I283 VanDerWaalsContact C-N 3.35Å; T281-I283 PolarHBondContact O-N 3.03Å; T281-C284 WeakPolarHBondContact O-CB 3.46Å; T281-C284 PolarHBondContact O-N 3.39Å; T281-C284 VanDerWaalsContact O-N 3.17Å; T281-I285 HydrophobicContact CG2-CD1 4.1Å; T281-I285 WeakPolarHBondContact O-CG1 3.48Å; T281-I285 PolarHBondContact O-N 3.39Å
282K92Very high91.4Very high58 Ų5850.7 Ų50.725%0.25227%0.269SS..Hα-helixtrans-61.5-43177.3-179.954.8172.61500111.6Y41 S278 Q279 I280 C284 I285 D286Y41-K282 HydrophobicContact CD1-CB 4.31Å; Y41-K282 HydrophobicContact CD1-CG 4.34Å; Y41-K282 HydrophobicContact CD2-CG 4.12Å; Y41-K282 HydrophobicContact CE1-CB 3.99Å; Y41-K282 HydrophobicContact CE1-CG 4.38Å; Y41-K282 HydrophobicContact CE2-CB 4.34Å; Y41-K282 HydrophobicContact CE2-CG 4.08Å; Y41-K282 HydrophobicContact CG-CG 4.25Å; S278-K282 WeakPolarHBondContact O-CB 3.41Å; S278-K282 PolarHBondContact O-N 3.05Å; Q279-K282 PolarHBondContact O-N 3.04Å; I280-K282 VanDerWaalsContact C-N 3.31Å; I280-K282 PolarHBondContact O-N 3.26Å; K282-C284 VanDerWaalsContact C-N 3.29Å; K282-C284 PolarHBondContact O-N 3.32Å; K282-I285 PolarHBondContact O-N 2.89Å; K282-D286 WeakPolarHBondContact CD-OD2 3.39Å; K282-D286 WeakPolarHBondContact CE-OD2 3.48Å; K282-D286 IonicContact NZ-OD1 2.87Å; K282-D286 PolarHBondContact NZ-OD1 2.98Å; K282-D286 IonicContact NZ-OD2 2.76Å; K282-D286 PolarHBondContact NZ-OD2 3.24Å; K282-D286 PolarHBondContact O-N 3.42Å
283I92.5Very high91.3Very high20 Ų2056.5 Ų56.510%0.10329%0.29CS..Hα-helixtrans-60.4-40.5174.9-66.9162.8000111.1D44 I48 Q279 I280 T281 D286 H287 L330 K333 I334 L337D44-I283 HydrophobicContact CB-CD1 4.46Å; I48-I283 HydrophobicContact CD1-CD1 3.93Å; I48-I283 HydrophobicContact CD1-CG1 4.17Å; I48-I283 HydrophobicContact CD1-CG2 4.24Å; Q279-I283 WeakPolarHBondContact O-CG1 3.31Å; Q279-I283 PolarHBondContact O-N 3.13Å; Q279-I283 VanDerWaalsContact O-N 3.07Å; I280-I283 WeakPolarHBondContact O-CB 3.45Å; I280-I283 PolarHBondContact O-N 3.5Å; T281-I283 VanDerWaalsContact C-N 3.35Å; T281-I283 PolarHBondContact O-N 3.03Å; I283-D286 PolarHBondContact O-N 3.47Å; I283-H287 VanDerWaalsContact O-CB 3.29Å; I283-H287 WeakPolarHBondContact O-CB 3.46Å; I283-H287 PolarHBondContact O-N 3.43Å; I283-H287 VanDerWaalsContact O-N 3.11Å; I283-L330 HydrophobicContact CG2-CD1 4.37Å; I283-K333 HydrophobicContact CG2-CB 4.36Å; I283-I334 HydrophobicContact CG2-CG1 4.39Å; I283-L337 HydrophobicContact CD1-CD1 3.67Å; I283-L337 HydrophobicContact CD1-CD2 3.99Å; I283-L337 HydrophobicContact CD1-CG 4.33Å
284C93.6Very high91.4Very high0 Ų054.6 Ų54.60%028%0.28CS..Hα-helixtrans-63.8-44.3176.7-60.10000111.7I280 T281 K282 D286 H287 F291 I294 L330I280-C284 PolarHBondContact O-N 3.09Å; I280-C284 PolarHBondContact O-SG 2.84Å; T281-C284 WeakPolarHBondContact O-CB 3.46Å; T281-C284 PolarHBondContact O-N 3.39Å; T281-C284 VanDerWaalsContact O-N 3.17Å; K282-C284 VanDerWaalsContact C-N 3.29Å; K282-C284 PolarHBondContact O-N 3.32Å; C284-D286 VanDerWaalsContact C-N 3.35Å; C284-D286 PolarHBondContact O-N 3.44Å; C284-H287 WeakPolarHBondContact O-CB 3.5Å; C284-H287 PolarHBondContact O-N 3.38Å; C284-F291 WeakPolarHBondContact O-CD2 3.31Å; C284-F291 WeakPolarHBondContact O-CE2 3.24Å; C284-I294 HydrophobicContact CB-CD1 3.56Å; C284-I294 HydrophobicContact CB-CG1 4.17Å; C284-L330 HydrophobicContact CB-CD1 4.48Å; C284-L330 HydrophobicContact CB-CD2 4.47Å
285I92.5Very high91.4Very high101 Ų10153 Ų5352%0.51827%0.265SS..Hα-helixtrans-61.8-43.4178.1-67.1168.4000111.1T281 K282 H287 I294T281-I285 HydrophobicContact CG2-CD1 4.1Å; T281-I285 WeakPolarHBondContact O-CG1 3.48Å; T281-I285 PolarHBondContact O-N 3.39Å; K282-I285 PolarHBondContact O-N 2.89Å; I285-H287 VanDerWaalsContact C-N 3.26Å; I285-H287 PolarHBondContact O-N 3.04Å; I285-I294 HydrophobicContact CB-CD1 4.34Å; I285-I294 HydrophobicContact CD1-CD1 4.46Å; I285-I294 HydrophobicContact CG1-CD1 3.4Å
286D90.5Very high91.5Very high81 Ų8153.1 Ų53.143%0.43327%0.267SS..Hα-helixtrans-81.8-5.6-175.8-66.4-15.1000113.2K282 I283 C284K282-D286 WeakPolarHBondContact CD-OD2 3.39Å; K282-D286 WeakPolarHBondContact CE-OD2 3.48Å; K282-D286 IonicContact NZ-OD1 2.87Å; K282-D286 PolarHBondContact NZ-OD1 2.98Å; K282-D286 IonicContact NZ-OD2 2.76Å; K282-D286 PolarHBondContact NZ-OD2 3.24Å; K282-D286 PolarHBondContact O-N 3.42Å; I283-D286 PolarHBondContact O-N 3.47Å; C284-D286 VanDerWaalsContact C-N 3.35Å; C284-D286 PolarHBondContact O-N 3.44Å
287H91.5Very high91.6Very high25 Ų2553 Ų5312%0.11627%0.268CS..Hα-helixtrans-74.4-53.4-172.2176.882.2000112.8I283 C284 I285 F291 I326 L330 K333I283-H287 VanDerWaalsContact O-CB 3.29Å; I283-H287 WeakPolarHBondContact O-CB 3.46Å; I283-H287 PolarHBondContact O-N 3.43Å; I283-H287 VanDerWaalsContact O-N 3.11Å; C284-H287 WeakPolarHBondContact O-CB 3.5Å; C284-H287 PolarHBondContact O-N 3.38Å; I285-H287 VanDerWaalsContact C-N 3.26Å; I285-H287 PolarHBondContact O-N 3.04Å; H287-F291 HydrophobicContact CB-CE2 4.02Å; H287-F291 AromaticContact CD2-CE2 3.75Å; H287-F291 AromaticContact CD2-CZ 3.75Å; H287-I326 PolarHBondContact NE2-O 3.03Å; H287-I326 VanDerWaalsContact NE2-O 3.12Å; H287-L330 HydrophobicContact CB-CD1 3.9Å; H287-L330 PolarHBondContact CE1-N 2.57Å; H287-L330 PolarHBondContact NE2-N 2.85Å; H287-K333 WeakPolarHBondContact ND1-CD 2.89Å; H287-K333 WeakPolarHBondContact ND1-CE 3.02Å; H287-K333 PolarHBondContact ND1-NZ 3.42Å
288E89.8Confident91.6Very high48 Ų4854 Ų5422%0.22427%0.274CS..  trans-148.4122.7-173.1175.854.1-120.700110.9K290 F291 I326E288-K290 HydrophobicContact CG-CB 3.82Å; E288-K290 HydrophobicContact CG-CG 4.42Å; E288-K290 PolarHBondContact O-N 2.65Å; E288-K290 VanDerWaalsContact OE1-CG 3.3Å; E288-K290 WeakPolarHBondContact OE1-CG 3.2Å; E288-K290 PolarHBondContact OE1-N 3.03Å; E288-K290 VanDerWaalsContact OE1-N 3.08Å; E288-F291 HydrophobicContact CB-CD2 4.15Å; E288-F291 HydrophobicContact CB-CE2 3.96Å; E288-F291 HydrophobicContact CB-CZ 4.13Å; E288-F291 WeakPolarHBondContact O-CD2 3.29Å; E288-F291 PolarHBondContact O-N 2.99Å; E288-I326 HydrophobicContact CB-CG2 3.98Å; E288-I326 HydrophobicContact CG-CD1 4.1Å; E288-I326 HydrophobicContact CG-CG1 4.19Å; E288-I326 HydrophobicContact CG-CG2 3.87Å
289P90Very high91.8Very high123 Ų12351.9 Ų51.980%0.79926%0.26SS*.THydrogen-bonded Turntrans-65.8-19.2177.225.7-36.7000114.5F291P289-F291 PolarHBondContact O-N 3.09Å
290K89.7Confident91.9Very high104 Ų10454.3 Ų54.345%0.45227%0.269SS..THydrogen-bonded Turntrans-67.8-10.5174.4-69.7175.8175.9-175.40114.3E288 E292 L314 I318 E322 I326E288-K290 HydrophobicContact CG-CB 3.82Å; E288-K290 HydrophobicContact CG-CG 4.42Å; E288-K290 PolarHBondContact O-N 2.65Å; E288-K290 VanDerWaalsContact OE1-CG 3.3Å; E288-K290 WeakPolarHBondContact OE1-CG 3.2Å; E288-K290 PolarHBondContact OE1-N 3.03Å; E288-K290 VanDerWaalsContact OE1-N 3.08Å; K290-E292 PolarHBondContact O-N 3.37Å; K290-L314 HydrophobicContact CB-CD2 4.27Å; K290-I318 HydrophobicContact CD-CD1 4.24Å; K290-E322 IonicContact NZ-OE2 3.26Å; K290-E322 PolarHBondContact NZ-OE2 3.46Å; K290-I326 HydrophobicContact CD-CD1 4Å
291F90.3Very high91.8Very high28 Ų2855.9 Ų55.912%0.12328%0.276CS..  trans-64.8117.6174.4-68.3-36.4000110.7C284 H287 E288 P289 V312 L314 I326 L330C284-F291 WeakPolarHBondContact O-CD2 3.31Å; C284-F291 WeakPolarHBondContact O-CE2 3.24Å; H287-F291 HydrophobicContact CB-CE2 4.02Å; H287-F291 AromaticContact CD2-CE2 3.75Å; H287-F291 AromaticContact CD2-CZ 3.75Å; E288-F291 HydrophobicContact CB-CD2 4.15Å; E288-F291 HydrophobicContact CB-CE2 3.96Å; E288-F291 HydrophobicContact CB-CZ 4.13Å; E288-F291 WeakPolarHBondContact O-CD2 3.29Å; E288-F291 PolarHBondContact O-N 2.99Å; P289-F291 PolarHBondContact O-N 3.09Å; F291-V312 HydrophobicContact CD1-CB 3.97Å; F291-V312 HydrophobicContact CD1-CG1 4.42Å; F291-V312 HydrophobicContact CD1-CG2 4.21Å; F291-V312 HydrophobicContact CE1-CB 3.88Å; F291-V312 HydrophobicContact CE1-CG1 4.18Å; F291-V312 HydrophobicContact CE1-CG2 3.7Å; F291-V312 HydrophobicContact CE2-CG1 4.42Å; F291-V312 HydrophobicContact CZ-CB 4.39Å; F291-V312 HydrophobicContact CZ-CG1 4.18Å; F291-V312 HydrophobicContact CZ-CG2 4.25Å; F291-L314 HydrophobicContact CD1-CD2 3.51Å; F291-L314 HydrophobicContact CD1-CG 4.16Å; F291-L314 HydrophobicContact CE1-CD2 3.9Å; F291-L314 HydrophobicContact CE1-CG 4.32Å; F291-I326 HydrophobicContact CD1-CG2 4.46Å; F291-I326 HydrophobicContact CE1-CG2 3.44Å; F291-I326 VanDerWaalsContact CE1-CG2 3.44Å; F291-I326 HydrophobicContact CZ-CG2 3.56Å; F291-L330 HydrophobicContact CE2-CD2 4.11Å; F291-L330 HydrophobicContact CZ-CD2 3.91Å
292E90.8Very high91.6Very high103 Ų10355.1 Ų55.148%0.48127%0.269SS..SBendtrans-75.8-36.3175.7-63.2-168.9177.200110.6K290 V313 N315K290-E292 PolarHBondContact O-N 3.37Å; E292-V313 HydrophobicContact CB-CG1 4.48Å; E292-V313 PolarHBondContact N-O 3.34Å; E292-N315 WeakPolarHBondContact OE1-CA 3.44Å; E292-N315 WeakPolarHBondContact OE1-CB 3.23Å; E292-N315 PolarHBondContact OE1-ND2 3.13Å
293R90.7Very high91.3Very high128 Ų12852.5 Ų52.548%0.48326%0.259SS..EExtended strand (participates in β ladder)trans-156.5150.2178.7-169.9172.2-69.3-161.51.9111.7V313R293-V313 HydrophobicContact CB-CB 4.06Å; R293-V313 HydrophobicContact CB-CG2 4.06Å; R293-V313 PolarHBondContact O-N 3.02Å
294I92.2Very high90.8Very high43 Ų4353.6 Ų53.622%0.22127%0.267CS..EExtended strand (participates in β ladder)trans-102.7111.5161.8-60.5160.7000106C284 I285 V297 V312C284-I294 HydrophobicContact CB-CD1 3.56Å; C284-I294 HydrophobicContact CB-CG1 4.17Å; I285-I294 HydrophobicContact CB-CD1 4.34Å; I285-I294 HydrophobicContact CD1-CD1 4.46Å; I285-I294 HydrophobicContact CG1-CD1 3.4Å; I294-V297 HydrophobicContact CG2-CG2 3.66Å; I294-V312 HydrophobicContact CG1-CG1 4.5Å
295E89.4Confident90.6Very high44 Ų4455.8 Ų55.821%0.20628%0.278CS..EExtended strand (participates in β ladder)trans-77.5-56.6-175.4-178.2176.7173.700110.7H311 P355E295-H311 HydrophobicContact CB-CB 4.11Å; E295-H311 PolarHBondContact N-O 3.37Å; E295-P355 HydrophobicContact CG-CG 4.32Å; E295-P355 WeakPolarHBondContact OE1-CG 3.46Å
296T90.6Very high90.6Very high29 Ų2952.7 Ų52.718%0.17826%0.26CS..EExtended strand (participates in β ladder)trans-141.2137.4-172.7-66.70000111L298 V310 H311 P355T296-L298 HydrophobicContact CG2-CD1 4.13Å; T296-L298 HydrophobicContact CG2-CD2 4.16Å; T296-L298 HydrophobicContact CG2-CG 3.66Å; T296-V310 WeakPolarHBondContact O-CA 3.4Å; T296-H311 PolarHBondContact O-N 3.34Å; T296-P355 WeakPolarHBondContact OG1-CG 3.4Å
297V93.7Very high90.8Very high21 Ų2149.5 Ų49.513%0.12724%0.243CC..EExtended strand (participates in β ladder)trans-126.3103.3169.9179.80000108.4I280 I294 V310I280-V297 HydrophobicContact CB-CG1 3.98Å; I280-V297 HydrophobicContact CG2-CG1 3.55Å; I294-V297 HydrophobicContact CG2-CG2 3.66Å; V297-V310 HydrophobicContact CG2-CG1 4.31Å
298L93.3Very high91Very high76 Ų7648.3 Ų48.340%0.39824%0.238SC..EExtended strand (participates in β ladder)trans-101.3127.6173.6-63171.9000109T296 Y300 V308 E309T296-L298 HydrophobicContact CG2-CD1 4.13Å; T296-L298 HydrophobicContact CG2-CD2 4.16Å; T296-L298 HydrophobicContact CG2-CG 3.66Å; L298-Y300 HydrophobicContact CB-CD1 4.43Å; L298-V308 CarbonylContact O-C 3.58Å; L298-V308 VanDerWaalsContact O-CA 3.31Å; L298-V308 WeakPolarHBondContact O-CA 3.2Å; L298-E309 HydrophobicContact CB-CB 4.26Å; L298-E309 PolarHBondContact N-O 2.93Å; L298-E309 PolarHBondContact O-N 3.12Å
299A95.1Very high91.3Very high2 Ų248.2 Ų48.22%0.01724%0.237CC..EExtended strand (participates in β ladder)trans-130.9123.4169.200000107.5A272 Q277 I280 L307 V308A272-A299 HydrophobicContact CB-CB 3.76Å; A272-A299 VanDerWaalsContact CB-O 3.28Å; A272-A299 WeakPolarHBondContact CB-O 3.44Å; A272-A299 PolarHBondContact N-O 3.4Å; Q277-A299 HydrophobicContact CG-CB 4.2Å; I280-A299 HydrophobicContact CD1-CB 3.69Å; A299-L307 WeakPolarHBondContact CA-O 3.37Å; A299-V308 HydrophobicContact CB-CG2 4.18Å
300Y94.4Very high91.6Very high62 Ų6242.4 Ų42.424%0.24320%0.199CC..EExtended strand (participates in β ladder)trans-143155.9-17757.3-92.9000111.5G269 L298 F302 Y306 L307 E309G269-Y300 WeakPolarHBondContact O-CB 3.37Å; L298-Y300 HydrophobicContact CB-CD1 4.43Å; Y300-F302 PolarHBondContact O-N 2.88Å; Y300-Y306 CarbonylContact O-C 3.6Å; Y300-Y306 VanDerWaalsContact O-CA 3.29Å; Y300-Y306 WeakPolarHBondContact O-CA 3.42Å; Y300-L307 HydrophobicContact CD2-CB 4.32Å; Y300-L307 HydrophobicContact CE2-CB 3.91Å; Y300-L307 HydrophobicContact CE2-CD2 3.78Å; Y300-L307 HydrophobicContact CE2-CG 4.2Å; Y300-L307 PolarHBondContact N-O 3.06Å; Y300-L307 PolarHBondContact O-N 3.34Å; Y300-L307 WeakPolarHBondContact OH-CD2 3.5Å; Y300-E309 HydrophobicContact CE1-CG 4.48Å; Y300-E309 PolarHBondContact OH-OE1 3.14Å
301H92Very high91.7Very high32 Ų3238.1 Ų38.115%0.14818%0.181CC..EExtended strand (participates in β ladder)trans-65.3133.9-174-82.6-70.5000112.2I266 G269 K270 Y306I266-H301 HydrophobicContact CB-CB 4.5Å; I266-H301 HydrophobicContact CG2-CB 3.88Å; I266-H301 WeakPolarHBondContact O-CB 3.42Å; G269-H301 WeakPolarHBondContact CA-O 3.46Å; K270-H301 PolarHBondContact O-CD2 3.04Å; K270-H301 VanDerWaalsContact O-CD2 3.25Å; K270-H301 PolarHBondContact O-N 3.04Å; H301-Y306 AromaticContact CD2-CE1 3.95Å; H301-Y306 AromaticContact CE1-CE1 3.24Å; H301-Y306 WeakPolarHBondContact CE1-CE1 3.24Å; H301-Y306 AromaticContact CE1-CZ 3.6Å; H301-Y306 PolarHBondContact CE1-OH 3.34Å; H301-Y306 AromaticContact CG-CE1 3.9Å; H301-Y306 AromaticContact ND1-CD1 3.93Å; H301-Y306 AromaticContact ND1-CE1 3.46Å; H301-Y306 WeakPolarHBondContact ND1-CE1 3.29Å; H301-Y306 AromaticContact NE2-CE1 3.59Å
302F88.8Confident91.9Very high29 Ų2936.8 Ų36.813%0.12718%0.175CC..EExtended strand (participates in β ladder)trans-137.396.5174.1-166.7-88.7000108.4R142 Y300 T304 N305 L307 E341R142-F302 HydrophobicContact CG-CE1 4.4Å; R142-F302 VanDerWaalsContact CZ-CZ 3.44Å; Y300-F302 PolarHBondContact O-N 2.88Å; F302-T304 PolarHBondContact O-N 3.35Å; F302-N305 CarbonylContact C-O 3.59Å; F302-N305 PolarHBondContact N-O 3.34Å; F302-N305 PolarHBondContact O-N 2.96Å; F302-L307 HydrophobicContact CB-CB 3.85Å; F302-L307 HydrophobicContact CD2-CB 4.17Å; F302-L307 HydrophobicContact CD2-CD2 3.92Å; F302-L307 HydrophobicContact CE2-CD2 4.05Å; F302-L307 HydrophobicContact CG-CB 4.24Å; F302-E341 WeakPolarHBondContact CE1-OE1 3.34Å
303G85.7Confident92.1Very high4 Ų431.9 Ų31.94%0.04115%0.152CC..THydrogen-bonded Turntrans68.7-125.4-168.100000111I266I266-G303 VanDerWaalsContact CG2-O 3.24Å; I266-G303 WeakPolarHBondContact CG2-O 3.39Å
304T82.8Confident92.3Very high43 Ų4326 Ų2626%0.26413%0.13SC..THydrogen-bonded Turntrans-92.4-14.5175.840.70000114.2E144 C207 F302E144-T304 HydrophobicContact CB-CG2 4.16Å; E144-T304 HydrophobicContact CG-CG2 3.86Å; E144-T304 WeakPolarHBondContact OE2-CG2 3.41Å; E144-T304 PolarHBondContact OE2-OG1 2.85Å; C207-T304 HydrophobicContact CB-CG2 3.52Å; F302-T304 PolarHBondContact O-N 3.35Å
305N89.1Confident92.3Very high46 Ų4627.1 Ų27.125%0.24614%0.137CC..EExtended strand (participates in β ladder)trans-107.7-172.4-178.7-74.7-11.5000110.7F302 Y339 E341F302-N305 CarbonylContact C-O 3.59Å; F302-N305 PolarHBondContact N-O 3.34Å; F302-N305 PolarHBondContact O-N 2.96Å; N305-Y339 WeakPolarHBondContact CA-O 3.35Å; N305-Y339 WeakPolarHBondContact CB-O 3.27Å; N305-E341 HydrophobicContact CB-CB 3.77Å
306Y92.9Very high92.5Very high36 Ų3632 Ų3214%0.14116%0.16CC..EExtended strand (participates in β ladder)trans-109.7142.6177.4-57.8-75.1000112A272 I276 Y300 H301 Y339 E341A272-Y306 HydrophobicContact CB-CD1 3.65Å; A272-Y306 HydrophobicContact CB-CE1 3.47Å; A272-Y306 VanDerWaalsContact CB-CE1 3.47Å; A272-Y306 HydrophobicContact CB-CG 4.41Å; I276-Y306 HydrophobicContact CG1-CE2 4.43Å; I276-Y306 HydrophobicContact CG2-CD2 4.39Å; I276-Y306 HydrophobicContact CG2-CE2 4.39Å; Y300-Y306 CarbonylContact O-C 3.6Å; Y300-Y306 VanDerWaalsContact O-CA 3.29Å; Y300-Y306 WeakPolarHBondContact O-CA 3.42Å; H301-Y306 AromaticContact CD2-CE1 3.95Å; H301-Y306 AromaticContact CE1-CE1 3.24Å; H301-Y306 WeakPolarHBondContact CE1-CE1 3.24Å; H301-Y306 AromaticContact CE1-CZ 3.6Å; H301-Y306 PolarHBondContact CE1-OH 3.34Å; H301-Y306 AromaticContact CG-CE1 3.9Å; H301-Y306 AromaticContact ND1-CD1 3.93Å; H301-Y306 AromaticContact ND1-CE1 3.46Å; H301-Y306 WeakPolarHBondContact ND1-CE1 3.29Å; H301-Y306 AromaticContact NE2-CE1 3.59Å; Y306-Y339 AromaticContact CD2-CD2 3.83Å; Y306-Y339 HydrophobicContact CD2-CD2 3.83Å; Y306-Y339 HydrophobicContact CD2-CG 4.4Å; Y306-Y339 VanDerWaalsContact CD2-O 3.32Å; Y306-Y339 WeakPolarHBondContact CD2-O 3.48Å; Y306-Y339 HydrophobicContact CE2-CD2 4.27Å; Y306-Y339 PolarHBondContact N-O 3.18Å; Y306-E341 PolarHBondContact O-N 2.83Å
307L94.6Very high92.6Very high14 Ų1437.4 Ų37.47%0.07319%0.187CC..EExtended strand (participates in β ladder)trans-93.1130.7159.1-173.959.7000107.3A299 Y300 F302 R342 F344A299-L307 WeakPolarHBondContact CA-O 3.37Å; Y300-L307 HydrophobicContact CD2-CB 4.32Å; Y300-L307 HydrophobicContact CE2-CB 3.91Å; Y300-L307 HydrophobicContact CE2-CD2 3.78Å; Y300-L307 HydrophobicContact CE2-CG 4.2Å; Y300-L307 PolarHBondContact N-O 3.06Å; Y300-L307 PolarHBondContact O-N 3.34Å; Y300-L307 WeakPolarHBondContact OH-CD2 3.5Å; F302-L307 HydrophobicContact CB-CB 3.85Å; F302-L307 HydrophobicContact CD2-CB 4.17Å; F302-L307 HydrophobicContact CD2-CD2 3.92Å; F302-L307 HydrophobicContact CE2-CD2 4.05Å; F302-L307 HydrophobicContact CG-CB 4.24Å; L307-R342 HydrophobicContact CD1-CB 3.56Å; L307-R342 HydrophobicContact CD1-CG 3.91Å; L307-F344 HydrophobicContact CD1-CD2 4.04Å; L307-F344 HydrophobicContact CD1-CE2 3.73Å; L307-F344 HydrophobicContact CD2-CE2 4.35Å; L307-F344 HydrophobicContact CG-CE2 4.42Å
308V96.3Very high92.6Very high0 Ų038.1 Ų38.10%019%0.19CC..EExtended strand (participates in β ladder)trans-117.7131.3-177.3-178.30000109.5I280 L298 A299 V310 I334 V340 R342 A343 F344I280-V308 HydrophobicContact CD1-CB 4.47Å; I280-V308 HydrophobicContact CD1-CG1 3.94Å; I280-V308 HydrophobicContact CD1-CG2 3.62Å; I280-V308 HydrophobicContact CG2-CG1 3.8Å; L298-V308 CarbonylContact O-C 3.58Å; L298-V308 VanDerWaalsContact O-CA 3.31Å; L298-V308 WeakPolarHBondContact O-CA 3.2Å; A299-V308 HydrophobicContact CB-CG2 4.18Å; V308-V310 HydrophobicContact CG1-CG2 3.84Å; V308-I334 HydrophobicContact CB-CG2 4.02Å; V308-I334 HydrophobicContact CG1-CG2 3.89Å; V308-I334 HydrophobicContact CG2-CG2 4.19Å; V308-V340 HydrophobicContact CG2-CG1 3.96Å; V308-V340 HydrophobicContact CG2-CG2 3.79Å; V308-R342 PolarHBondContact N-O 3.35Å; V308-A343 HydrophobicContact CB-CB 4.32Å; V308-A343 CarbonylContact O-C 3.57Å; V308-A343 VanDerWaalsContact O-CA 3.22Å; V308-A343 WeakPolarHBondContact O-CA 3.36Å; V308-F344 PolarHBondContact O-N 3.33Å
309E95.4Very high92.7Very high46 Ų4638 Ų3822%0.21519%0.192CC..EExtended strand (participates in β ladder)trans-123.4124.7174.3-69.6164.1-164.600107.6L298 Y300 F344L298-E309 HydrophobicContact CB-CB 4.26Å; L298-E309 PolarHBondContact N-O 2.93Å; L298-E309 PolarHBondContact O-N 3.12Å; Y300-E309 HydrophobicContact CE1-CG 4.48Å; Y300-E309 PolarHBondContact OH-OE1 3.14Å; E309-F344 CarbonylContact C-O 3.35Å; E309-F344 WeakPolarHBondContact CA-O 3.48Å; E309-F344 HydrophobicContact CG-CB 4.25Å; E309-F344 HydrophobicContact CG-CD2 4.15Å
310V94.9Very high92.7Very high0 Ų045.1 Ų45.10%023%0.229CC..EExtended strand (participates in β ladder)trans-125.7129.9-178.9-1760000108.7I280 T296 V297 V308 V312 L330 I334 F344 V345 H346I280-V310 HydrophobicContact CG2-CG2 4.15Å; T296-V310 WeakPolarHBondContact O-CA 3.4Å; V297-V310 HydrophobicContact CG2-CG1 4.31Å; V308-V310 HydrophobicContact CG1-CG2 3.84Å; V310-V312 HydrophobicContact CG1-CG1 3.78Å; V310-L330 HydrophobicContact CG1-CD2 4.33Å; V310-I334 HydrophobicContact CG2-CD1 3.69Å; V310-F344 PolarHBondContact N-O 3.31Å; V310-V345 CarbonylContact O-C 3.6Å; V310-V345 WeakPolarHBondContact O-CA 3.41Å; V310-H346 PolarHBondContact O-N 2.96Å
311H93.8Very high92.8Very high15 Ų1549.4 Ų49.47%0.06925%0.249CC..EExtended strand (participates in β ladder)trans-110119.5173.1-71.4-135.6000108.2E295 T296 H346 D348 E358 H359E295-H311 HydrophobicContact CB-CB 4.11Å; E295-H311 PolarHBondContact N-O 3.37Å; T296-H311 PolarHBondContact O-N 3.34Å; H311-H346 WeakPolarHBondContact CA-O 3.3Å; H311-H346 AromaticContact CE1-CD2 3.89Å; H311-H346 AromaticContact ND1-CD2 3.86Å; H311-D348 IonicContact ND1-OD2 3.1Å; H311-E358 IonicContact ND1-OE2 3.91Å; H311-H359 AromaticContact CE1-CE1 3.88Å; H311-H359 AromaticContact CE1-NE2 3.18Å; H311-H359 PolarHBondContact CE1-NE2 3.09Å; H311-H359 AromaticContact NE2-NE2 3.62Å
312V94.4Very high92.9Very high0 Ų051.7 Ų51.70%026%0.26CS..EExtended strand (participates in β ladder)trans-121142.9180-64.20000110.1F291 I294 V310 L330 V345 H346 V347 D348F291-V312 HydrophobicContact CD1-CB 3.97Å; F291-V312 HydrophobicContact CD1-CG1 4.42Å; F291-V312 HydrophobicContact CD1-CG2 4.21Å; F291-V312 HydrophobicContact CE1-CB 3.88Å; F291-V312 HydrophobicContact CE1-CG1 4.18Å; F291-V312 HydrophobicContact CE1-CG2 3.7Å; F291-V312 HydrophobicContact CE2-CG1 4.42Å; F291-V312 HydrophobicContact CZ-CB 4.39Å; F291-V312 HydrophobicContact CZ-CG1 4.18Å; F291-V312 HydrophobicContact CZ-CG2 4.25Å; I294-V312 HydrophobicContact CG1-CG1 4.5Å; V310-V312 HydrophobicContact CG1-CG1 3.78Å; V312-L330 HydrophobicContact CG1-CD2 3.99Å; V312-V345 HydrophobicContact CG2-CG1 3.98Å; V312-H346 PolarHBondContact N-O 2.9Å; V312-V347 HydrophobicContact CG2-CG2 4.05Å; V312-V347 WeakPolarHBondContact O-CA 3.36Å; V312-D348 PolarHBondContact O-N 2.99Å
313V93.8Very high93.2Very high0 Ų050.8 Ų50.80%026%0.258CS..EExtended strand (participates in β ladder)trans-102.8124.6179.2-174.60000109.2E292 R293 D348 F351E292-V313 HydrophobicContact CB-CG1 4.48Å; E292-V313 PolarHBondContact N-O 3.34Å; R293-V313 HydrophobicContact CB-CB 4.06Å; R293-V313 HydrophobicContact CB-CG2 4.06Å; R293-V313 PolarHBondContact O-N 3.02Å; V313-D348 CarbonylContact C-O 3.53Å; V313-D348 VanDerWaalsContact CA-O 3.27Å; V313-D348 WeakPolarHBondContact CA-O 3.2Å; V313-D348 HydrophobicContact CG2-CB 4.41Å; V313-F351 HydrophobicContact CG1-CD1 4.35Å; V313-F351 HydrophobicContact CG2-CB 4.16Å
314L94.3Very high93.6Very high3 Ų355.3 Ų55.32%0.01628%0.278CS..  trans-115.6157.8173.6-72.1176.9000110.1K290 F291 E316 I318 A323 I326 V347 D348 Y349K290-L314 HydrophobicContact CB-CD2 4.27Å; F291-L314 HydrophobicContact CD1-CD2 3.51Å; F291-L314 HydrophobicContact CD1-CG 4.16Å; F291-L314 HydrophobicContact CE1-CD2 3.9Å; F291-L314 HydrophobicContact CE1-CG 4.32Å; L314-E316 PolarHBondContact O-N 3.07Å; L314-I318 HydrophobicContact CB-CG2 4.21Å; L314-I318 HydrophobicContact CD1-CD1 4.28Å; L314-A323 HydrophobicContact CD1-CB 3.91Å; L314-I326 HydrophobicContact CD1-CD1 4.28Å; L314-I326 HydrophobicContact CD1-CG2 4.47Å; L314-I326 HydrophobicContact CD2-CD1 4.39Å; L314-V347 HydrophobicContact CB-CG1 4.14Å; L314-V347 HydrophobicContact CD1-CG1 3.7Å; L314-V347 HydrophobicContact CG-CG1 4.05Å; L314-D348 PolarHBondContact N-O 3.37Å; L314-Y349 WeakPolarHBondContact O-CA 3.4Å
315N93.5Very high94.1Very high68 Ų6857.4 Ų57.436%0.36429%0.287SS..  trans-58.6135177.4-165-81.8000111.6E292 N317 I318E292-N315 WeakPolarHBondContact OE1-CA 3.44Å; E292-N315 WeakPolarHBondContact OE1-CB 3.23Å; E292-N315 PolarHBondContact OE1-ND2 3.13Å; N315-N317 PolarHBondContact O-N 3.26Å; N315-N317 VanDerWaalsContact O-N 3.08Å; N315-N317 WeakPolarHBondContact OD1-CB 3.37Å; N315-N317 PolarHBondContact OD1-N 3.48Å; N315-N317 PolarHBondContact OD1-ND2 3.2Å; N315-I318 WeakPolarHBondContact O-CB 3.48Å; N315-I318 WeakPolarHBondContact O-CG2 3.21Å; N315-I318 PolarHBondContact O-N 2.71Å
316E92.7Very high94.4Very high147 Ų14755.9 Ų55.969%0.68728%0.279SS*.THydrogen-bonded Turntrans-54.7-29.8178.6-170.7-174.2177.700113.6L314 I318 Y349L314-E316 PolarHBondContact O-N 3.07Å; E316-I318 VanDerWaalsContact C-N 3.3Å; E316-I318 PolarHBondContact O-N 3.45Å; E316-Y349 HydrophobicContact CG-CD2 4.33Å; E316-Y349 HydrophobicContact CG-CG 4.47Å
317N93.9Very high94.5Very high142 Ų14255 Ų5576%0.75928%0.279SS*.THydrogen-bonded Turntrans-83.5-3.1-178.2-56.9-72.2000113.7N315N315-N317 PolarHBondContact O-N 3.26Å; N315-N317 VanDerWaalsContact O-N 3.08Å; N315-N317 WeakPolarHBondContact OD1-CB 3.37Å; N315-N317 PolarHBondContact OD1-N 3.48Å; N315-N317 PolarHBondContact OD1-ND2 3.2Å
318I93.3Very high94.4Very high36 Ų3657.3 Ų57.319%0.18529%0.289CS..SBendtrans-67.8140.6177.6-154173.8000109.7K290 L314 N315 E316 E322 A323 I326K290-I318 HydrophobicContact CD-CD1 4.24Å; L314-I318 HydrophobicContact CB-CG2 4.21Å; L314-I318 HydrophobicContact CD1-CD1 4.28Å; N315-I318 WeakPolarHBondContact O-CB 3.48Å; N315-I318 WeakPolarHBondContact O-CG2 3.21Å; N315-I318 PolarHBondContact O-N 2.71Å; E316-I318 VanDerWaalsContact C-N 3.3Å; E316-I318 PolarHBondContact O-N 3.45Å; I318-E322 HydrophobicContact CD1-CB 3.87Å; I318-E322 HydrophobicContact CG1-CB 3.66Å; I318-A323 HydrophobicContact CG2-CB 3.94Å; I318-I326 HydrophobicContact CD1-CD1 3.74Å
319T95.2Very high94.2Very high72 Ų7258.4 Ų58.444%0.44230%0.3SS..  trans-67.6145.8176.169.30000110.2K321 E322 A323T319-K321 PolarHBondContact O-N 3.22Å; T319-K321 VanDerWaalsContact O-N 3.11Å; T319-E322 PolarHBondContact O-N 2.87Å; T319-E322 WeakPolarHBondContact OG1-CG 3.27Å; T319-E322 PolarHBondContact OG1-N 3.05Å; T319-A323 PolarHBondContact O-N 2.68Å
320L95Very high94.2Very high152 Ų15256.2 Ų56.280%0.79629%0.29SS*.Hα-helixtrans-53-35.6175.1177.363.4000111.9A323 H324L320-A323 PolarHBondContact O-N 2.95Å; L320-H324 VanDerWaalsContact O-CB 3.23Å; L320-H324 WeakPolarHBondContact O-CB 3.37Å; L320-H324 PolarHBondContact O-N 3.24Å
321K95.8Very high94.2Very high153 Ų15358.3 Ų58.367%0.66530%0.3SS*.Hα-helixtrans-60.7-49.5175.6-175.9-175.9176.1-172.60111.5T319 H324 D325T319-K321 PolarHBondContact O-N 3.22Å; T319-K321 VanDerWaalsContact O-N 3.11Å; K321-H324 PolarHBondContact O-N 3.32Å; K321-D325 PolarHBondContact O-N 3.08Å
322E94.6Very high94.1Very high79 Ų7962.8 Ų62.837%0.36932%0.316SS..Hα-helixtrans-65.1-42.8178-79.2-178.8-143.100112.1K290 I318 T319 H324 D325 I326K290-E322 IonicContact NZ-OE2 3.26Å; K290-E322 PolarHBondContact NZ-OE2 3.46Å; I318-E322 HydrophobicContact CD1-CB 3.87Å; I318-E322 HydrophobicContact CG1-CB 3.66Å; T319-E322 PolarHBondContact O-N 2.87Å; T319-E322 WeakPolarHBondContact OG1-CG 3.27Å; T319-E322 PolarHBondContact OG1-N 3.05Å; E322-H324 VanDerWaalsContact C-N 3.32Å; E322-H324 PolarHBondContact O-N 3.35Å; E322-D325 PolarHBondContact O-N 3.27Å; E322-I326 WeakPolarHBondContact O-CD1 3.47Å; E322-I326 VanDerWaalsContact O-CG1 3.26Å; E322-I326 WeakPolarHBondContact O-CG1 3.32Å; E322-I326 PolarHBondContact O-N 3.5Å
323A95Very high93.9Very high10 Ų1064.7 Ų64.78%0.08332%0.324CS..Hα-helixtrans-60.2-41.9174.900000112.2L314 I318 T319 L320 S327 V347L314-A323 HydrophobicContact CD1-CB 3.91Å; I318-A323 HydrophobicContact CG2-CB 3.94Å; T319-A323 PolarHBondContact O-N 2.68Å; L320-A323 PolarHBondContact O-N 2.95Å; A323-S327 VanDerWaalsContact O-CB 3.32Å; A323-S327 WeakPolarHBondContact O-CB 3.35Å; A323-S327 PolarHBondContact O-N 3.47Å; A323-S327 PolarHBondContact O-OG 2.96Å; A323-V347 HydrophobicContact CB-CG1 4.35Å
324H94.2Very high93.9Very high99 Ų9964.7 Ų64.746%0.45832%0.324SS..Hα-helixtrans-62.1-49.1175176.5-82.6000111.4L320 K321 E322 I326 S327 E328L320-H324 VanDerWaalsContact O-CB 3.23Å; L320-H324 WeakPolarHBondContact O-CB 3.37Å; L320-H324 PolarHBondContact O-N 3.24Å; K321-H324 PolarHBondContact O-N 3.32Å; E322-H324 VanDerWaalsContact C-N 3.32Å; E322-H324 PolarHBondContact O-N 3.35Å; H324-I326 VanDerWaalsContact C-N 3.32Å; H324-I326 PolarHBondContact O-N 3.26Å; H324-S327 WeakPolarHBondContact CA-OG 3.4Å; H324-S327 PolarHBondContact O-N 2.8Å; H324-S327 PolarHBondContact O-OG 3.23Å; H324-E328 IonicContact CE1-OE2 3.27Å; H324-E328 PolarHBondContact CE1-OE2 2.64Å; H324-E328 VanDerWaalsContact CE1-OE2 3.28Å; H324-E328 IonicContact ND1-OE2 3.28Å; H324-E328 VanDerWaalsContact O-CB 3.24Å; H324-E328 WeakPolarHBondContact O-CB 3.17Å; H324-E328 PolarHBondContact O-N 2.87Å
325D94.5Very high93.8Very high87 Ų8766.6 Ų66.647%0.46533%0.333SS..Hα-helixtrans-63.8-38.3-177-68-13.9000111.8K321 E322 G329K321-D325 PolarHBondContact O-N 3.08Å; E322-D325 PolarHBondContact O-N 3.27Å; D325-G329 PolarHBondContact O-N 2.99Å; D325-G329 VanDerWaalsContact O-N 3.07Å
326I94Very high93.5Very high15 Ų1566.3 Ų66.38%0.07733%0.329CS..Hα-helixtrans-66.3-51.4174.6-66.4164.2000110.7H287 E288 K290 F291 L314 I318 E322 H324 E328 G329 L330H287-I326 PolarHBondContact NE2-O 3.03Å; H287-I326 VanDerWaalsContact NE2-O 3.12Å; E288-I326 HydrophobicContact CB-CG2 3.98Å; E288-I326 HydrophobicContact CG-CD1 4.1Å; E288-I326 HydrophobicContact CG-CG1 4.19Å; E288-I326 HydrophobicContact CG-CG2 3.87Å; K290-I326 HydrophobicContact CD-CD1 4Å; F291-I326 HydrophobicContact CD1-CG2 4.46Å; F291-I326 HydrophobicContact CE1-CG2 3.44Å; F291-I326 VanDerWaalsContact CE1-CG2 3.44Å; F291-I326 HydrophobicContact CZ-CG2 3.56Å; L314-I326 HydrophobicContact CD1-CD1 4.28Å; L314-I326 HydrophobicContact CD1-CG2 4.47Å; L314-I326 HydrophobicContact CD2-CD1 4.39Å; I318-I326 HydrophobicContact CD1-CD1 3.74Å; E322-I326 WeakPolarHBondContact O-CD1 3.47Å; E322-I326 VanDerWaalsContact O-CG1 3.26Å; E322-I326 WeakPolarHBondContact O-CG1 3.32Å; E322-I326 PolarHBondContact O-N 3.5Å; H324-I326 VanDerWaalsContact C-N 3.32Å; H324-I326 PolarHBondContact O-N 3.26Å; I326-E328 PolarHBondContact O-N 3.38Å; I326-G329 PolarHBondContact O-N 3.47Å; I326-L330 PolarHBondContact O-N 3.32Å
327S94.5Very high93.3Very high18 Ų1859.4 Ų59.413%0.12630%0.297CS..Hα-helixtrans-66-39.5-177.556.50000113A323 H324 G329 L330 Q331 V347A323-S327 VanDerWaalsContact O-CB 3.32Å; A323-S327 WeakPolarHBondContact O-CB 3.35Å; A323-S327 PolarHBondContact O-N 3.47Å; A323-S327 PolarHBondContact O-OG 2.96Å; H324-S327 WeakPolarHBondContact CA-OG 3.4Å; H324-S327 PolarHBondContact O-N 2.8Å; H324-S327 PolarHBondContact O-OG 3.23Å; S327-G329 VanDerWaalsContact C-N 3.35Å; S327-L330 PolarHBondContact O-N 2.96Å; S327-Q331 WeakPolarHBondContact O-CB 3.46Å; S327-Q331 PolarHBondContact O-N 3.26Å; S327-V347 VanDerWaalsContact CB-CG2 3.44Å
328E93.8Very high92.9Very high62 Ų6256.6 Ų56.629%0.2929%0.286SS..Hα-helixtrans-64-41.8174.1-174.2178-16300111H324 I326 L330 Q331 R332H324-E328 IonicContact CE1-OE2 3.27Å; H324-E328 PolarHBondContact CE1-OE2 2.64Å; H324-E328 VanDerWaalsContact CE1-OE2 3.28Å; H324-E328 IonicContact ND1-OE2 3.28Å; H324-E328 VanDerWaalsContact O-CB 3.24Å; H324-E328 WeakPolarHBondContact O-CB 3.17Å; H324-E328 PolarHBondContact O-N 2.87Å; I326-E328 PolarHBondContact O-N 3.38Å; E328-L330 VanDerWaalsContact C-N 3.33Å; E328-L330 PolarHBondContact O-N 3.25Å; E328-Q331 PolarHBondContact O-N 3.01Å; E328-R332 HydrophobicContact CG-CG 4.48Å; E328-R332 WeakPolarHBondContact O-CB 3.48Å; E328-R332 VanDerWaalsContact O-CG 3.3Å; E328-R332 WeakPolarHBondContact O-CG 3.4Å; E328-R332 PolarHBondContact O-N 3.44Å; E328-R332 IonicContact OE1-CZ 3.93Å; E328-R332 IonicContact OE1-NE 3.59Å; E328-R332 PolarHBondContact OE1-NE 3.28Å; E328-R332 IonicContact OE1-NH2 3.37Å; E328-R332 PolarHBondContact OE1-NH2 2.93Å; E328-R332 IonicContact OE2-NH2 2.8Å
329G92.6Very high92.6Very high23 Ų2356.7 Ų56.724%0.23729%0.285CS..Hα-helixtrans-57-46.1173.400000112.1D325 I326 S327 K333D325-G329 PolarHBondContact O-N 2.99Å; D325-G329 VanDerWaalsContact O-N 3.07Å; I326-G329 PolarHBondContact O-N 3.47Å; S327-G329 VanDerWaalsContact C-N 3.35Å; G329-K333 WeakPolarHBondContact O-CG 3.21Å; G329-K333 PolarHBondContact O-N 3.42Å
330L94.5Very high92.4Very high0 Ų053.7 Ų53.70%027%0.267CS..Hα-helixtrans-66.1-45.9177.8-179.658.5000111.6I283 C284 H287 F291 V310 V312 I326 S327 E328 R332 K333 I334 V345I283-L330 HydrophobicContact CG2-CD1 4.37Å; C284-L330 HydrophobicContact CB-CD1 4.48Å; C284-L330 HydrophobicContact CB-CD2 4.47Å; H287-L330 HydrophobicContact CB-CD1 3.9Å; H287-L330 PolarHBondContact CE1-N 2.57Å; H287-L330 PolarHBondContact NE2-N 2.85Å; F291-L330 HydrophobicContact CE2-CD2 4.11Å; F291-L330 HydrophobicContact CZ-CD2 3.91Å; V310-L330 HydrophobicContact CG1-CD2 4.33Å; V312-L330 HydrophobicContact CG1-CD2 3.99Å; I326-L330 PolarHBondContact O-N 3.32Å; S327-L330 PolarHBondContact O-N 2.96Å; E328-L330 VanDerWaalsContact C-N 3.33Å; E328-L330 PolarHBondContact O-N 3.25Å; L330-R332 VanDerWaalsContact C-N 3.31Å; L330-R332 PolarHBondContact O-N 3.45Å; L330-K333 PolarHBondContact O-N 2.91Å; L330-K333 VanDerWaalsContact O-N 3.16Å; L330-I334 HydrophobicContact CD1-CD1 3.84Å; L330-I334 HydrophobicContact CD1-CG1 4.1Å; L330-I334 HydrophobicContact CG-CD1 3.9Å; L330-I334 WeakPolarHBondContact O-CG1 3.25Å; L330-I334 PolarHBondContact O-N 2.96Å; L330-V345 HydrophobicContact CB-CG2 4.32Å; L330-V345 HydrophobicContact CD2-CG1 4.11Å; L330-V345 HydrophobicContact CD2-CG2 4.25Å; L330-V345 HydrophobicContact CG-CG2 4.11Å
331Q95.1Very high92.1Very high44 Ų4448.8 Ų48.821%0.20624%0.24CC..Hα-helixtrans-55.5-49.2177.3-171.1-160.9-62.400110.2S327 E328 K333 I334 E335 A343 V345S327-Q331 WeakPolarHBondContact O-CB 3.46Å; S327-Q331 PolarHBondContact O-N 3.26Å; E328-Q331 PolarHBondContact O-N 3.01Å; Q331-K333 PolarHBondContact O-N 3.46Å; Q331-I334 PolarHBondContact O-N 2.94Å; Q331-E335 HydrophobicContact CG-CG 4.29Å; Q331-E335 PolarHBondContact NE2-OE2 2.85Å; Q331-E335 WeakPolarHBondContact O-CB 3.37Å; Q331-E335 VanDerWaalsContact O-CG 3.31Å; Q331-E335 WeakPolarHBondContact O-CG 3.45Å; Q331-E335 PolarHBondContact O-N 3.37Å; Q331-A343 HydrophobicContact CG-CB 4.12Å; Q331-A343 WeakPolarHBondContact CG-O 3.41Å; Q331-V345 HydrophobicContact CB-CG2 3.84Å
332R91.1Very high91.9Very high108 Ų10845.1 Ų45.141%0.40822%0.222SC..Hα-helixtrans-57.3-51.6176.7-71.9175.6-174.1-175.64.2110.1E328 L330 I334 E335 H336E328-R332 HydrophobicContact CG-CG 4.48Å; E328-R332 WeakPolarHBondContact O-CB 3.48Å; E328-R332 VanDerWaalsContact O-CG 3.3Å; E328-R332 WeakPolarHBondContact O-CG 3.4Å; E328-R332 PolarHBondContact O-N 3.44Å; E328-R332 IonicContact OE1-CZ 3.93Å; E328-R332 IonicContact OE1-NE 3.59Å; E328-R332 PolarHBondContact OE1-NE 3.28Å; E328-R332 IonicContact OE1-NH2 3.37Å; E328-R332 PolarHBondContact OE1-NH2 2.93Å; E328-R332 IonicContact OE2-NH2 2.8Å; L330-R332 VanDerWaalsContact C-N 3.31Å; L330-R332 PolarHBondContact O-N 3.45Å; R332-I334 VanDerWaalsContact C-N 3.3Å; R332-I334 PolarHBondContact O-N 3.4Å; R332-E335 PolarHBondContact O-N 3.28Å; R332-H336 PolarHBondContact O-CE1 3.21Å; R332-H336 PolarHBondContact O-N 2.83Å; R332-H336 VanDerWaalsContact O-N 3.16Å; R332-H336 PolarHBondContact O-ND1 3.15Å
333K91.5Very high92Very high41 Ų4141.4 Ų41.418%0.17820%0.204CC..Hα-helixtrans-55.3-43.8-179.6-72.3-173.4-166.8167.40112.7I48 E52 I283 H287 G329 L330 Q331I48-K333 HydrophobicContact CD1-CB 4.38Å; I48-K333 HydrophobicContact CG2-CB 4.4Å; I48-K333 HydrophobicContact CG2-CD 4.26Å; I48-K333 HydrophobicContact CG2-CG 3.97Å; E52-K333 WeakPolarHBondContact OE1-CE 3.32Å; I283-K333 HydrophobicContact CG2-CB 4.36Å; H287-K333 WeakPolarHBondContact ND1-CD 2.89Å; H287-K333 WeakPolarHBondContact ND1-CE 3.02Å; H287-K333 PolarHBondContact ND1-NZ 3.42Å; G329-K333 WeakPolarHBondContact O-CG 3.21Å; G329-K333 PolarHBondContact O-N 3.42Å; L330-K333 PolarHBondContact O-N 2.91Å; L330-K333 VanDerWaalsContact O-N 3.16Å; Q331-K333 PolarHBondContact O-N 3.46Å
334I93.8Very high92Very high0 Ų044.7 Ų44.70%022%0.217CC..Hα-helixtrans-69.5-42.3179.8-61.9172.8000111.4I280 I283 V308 V310 L330 Q331 R332 H336 L337 V340 A343I280-I334 HydrophobicContact CG2-CD1 4.1Å; I283-I334 HydrophobicContact CG2-CG1 4.39Å; V308-I334 HydrophobicContact CB-CG2 4.02Å; V308-I334 HydrophobicContact CG1-CG2 3.89Å; V308-I334 HydrophobicContact CG2-CG2 4.19Å; V310-I334 HydrophobicContact CG2-CD1 3.69Å; L330-I334 HydrophobicContact CD1-CD1 3.84Å; L330-I334 HydrophobicContact CD1-CG1 4.1Å; L330-I334 HydrophobicContact CG-CD1 3.9Å; L330-I334 WeakPolarHBondContact O-CG1 3.25Å; L330-I334 PolarHBondContact O-N 2.96Å; Q331-I334 PolarHBondContact O-N 2.94Å; R332-I334 VanDerWaalsContact C-N 3.3Å; R332-I334 PolarHBondContact O-N 3.4Å; I334-H336 PolarHBondContact O-N 2.99Å; I334-L337 HydrophobicContact CG2-CD1 4.47Å; I334-L337 WeakPolarHBondContact O-CB 3.42Å; I334-L337 WeakPolarHBondContact O-CG 3.33Å; I334-L337 PolarHBondContact O-N 3.38Å; I334-L337 VanDerWaalsContact O-N 3.17Å; I334-V340 HydrophobicContact CG2-CG1 4.21Å; I334-V340 HydrophobicContact CG2-CG2 4.25Å; I334-V340 WeakPolarHBondContact O-CB 3.2Å; I334-A343 HydrophobicContact CB-CB 3.89Å; I334-A343 HydrophobicContact CG2-CB 3.63Å
335E91.5Very high92.1Very high42 Ų4241.2 Ų41.220%0.19620%0.202CC..Hα-helixtrans-65.5-20.8179.6-74.2-172.1143.700114Q331 R332 L337 R342 A343Q331-E335 HydrophobicContact CG-CG 4.29Å; Q331-E335 PolarHBondContact NE2-OE2 2.85Å; Q331-E335 WeakPolarHBondContact O-CB 3.37Å; Q331-E335 VanDerWaalsContact O-CG 3.31Å; Q331-E335 WeakPolarHBondContact O-CG 3.45Å; Q331-E335 PolarHBondContact O-N 3.37Å; R332-E335 PolarHBondContact O-N 3.28Å; E335-L337 VanDerWaalsContact C-N 3.32Å; E335-R342 WeakPolarHBondContact OE1-CD 3.49Å; E335-R342 IonicContact OE1-CZ 3.57Å; E335-R342 IonicContact OE1-NE 2.85Å; E335-R342 PolarHBondContact OE1-NE 2.85Å; E335-R342 VanDerWaalsContact OE1-NE 3.1Å; E335-R342 IonicContact OE1-NH1 2.66Å; E335-R342 PolarHBondContact OE1-NH1 2.84Å; E335-R342 IonicContact OE1-NH2 3.32Å; E335-R342 IonicContact OE2-NH1 3.33Å; E335-R342 PolarHBondContact OE2-NH1 3.02Å; E335-A343 HydrophobicContact CG-CB 3.68Å; E335-A343 VanDerWaalsContact CG-N 3.3Å; E335-A343 PolarHBondContact OE1-N 3.47Å; E335-A343 VanDerWaalsContact OE1-N 3.1Å
336H87.3Confident92.1Very high63 Ų6341 Ų4129%0.29220%0.199SC..THydrogen-bonded Turntrans-82.8-9.4177-69.4104.3000114F51 R332 I334F51-H336 HydrophobicContact CB-CB 4.3Å; F51-H336 HydrophobicContact CD1-CB 4.18Å; F51-H336 AromaticContact CD1-CD2 3.66Å; F51-H336 AromaticContact CD1-CE1 3.76Å; F51-H336 AromaticContact CD1-CG 3.42Å; F51-H336 VanDerWaalsContact CD1-CG 3.42Å; F51-H336 AromaticContact CD1-ND1 3.45Å; F51-H336 WeakPolarHBondContact CD1-ND1 3.31Å; F51-H336 AromaticContact CD1-NE2 3.9Å; F51-H336 AromaticContact CD2-CD2 3.28Å; F51-H336 WeakPolarHBondContact CD2-CD2 3.43Å; F51-H336 AromaticContact CD2-CG 3.8Å; F51-H336 AromaticContact CD2-NE2 3.8Å; F51-H336 AromaticContact CE1-CD2 3.58Å; F51-H336 AromaticContact CE1-CE1 3.13Å; F51-H336 WeakPolarHBondContact CE1-CE1 3.39Å; F51-H336 AromaticContact CE1-CG 3.64Å; F51-H336 AromaticContact CE1-ND1 3.32Å; F51-H336 VanDerWaalsContact CE1-ND1 3.32Å; F51-H336 WeakPolarHBondContact CE1-ND1 3.44Å; F51-H336 AromaticContact CE1-NE2 3.31Å; F51-H336 VanDerWaalsContact CE1-NE2 3.31Å; F51-H336 WeakPolarHBondContact CE1-NE2 3.37Å; F51-H336 AromaticContact CE2-CD2 3.17Å; F51-H336 WeakPolarHBondContact CE2-CD2 3.46Å; F51-H336 AromaticContact CE2-CE1 3.93Å; F51-H336 AromaticContact CE2-CG 3.98Å; F51-H336 AromaticContact CE2-NE2 3.17Å; F51-H336 WeakPolarHBondContact CE2-NE2 3.49Å; F51-H336 HydrophobicContact CG-CB 4.03Å; F51-H336 AromaticContact CG-CD2 3.52Å; F51-H336 AromaticContact CG-CG 3.52Å; F51-H336 AromaticContact CZ-CD2 3.34Å; F51-H336 WeakPolarHBondContact CZ-CD2 3.34Å; F51-H336 AromaticContact CZ-CE1 3.23Å; F51-H336 WeakPolarHBondContact CZ-CE1 3.45Å; F51-H336 AromaticContact CZ-CG 3.9Å; F51-H336 AromaticContact CZ-ND1 3.8Å; F51-H336 AromaticContact CZ-NE2 2.88Å; F51-H336 WeakPolarHBondContact CZ-NE2 3.4Å; R332-H336 PolarHBondContact O-CE1 3.21Å; R332-H336 PolarHBondContact O-N 2.83Å; R332-H336 VanDerWaalsContact O-N 3.16Å; R332-H336 PolarHBondContact O-ND1 3.15Å; I334-H336 PolarHBondContact O-N 2.99Å
337L88.7Confident92.1Very high1 Ų142.5 Ų42.51%0.00521%0.208CC..SBendtrans-63.9130.4171-61.9170.4000109.1D44 I48 I280 I283 I334 E335 Y339 V340D44-L337 HydrophobicContact CB-CD2 3.72Å; I48-L337 HydrophobicContact CD1-CD2 4.21Å; I48-L337 HydrophobicContact CG1-CD2 4.26Å; I280-L337 HydrophobicContact CG1-CD1 4.46Å; I283-L337 HydrophobicContact CD1-CD1 3.67Å; I283-L337 HydrophobicContact CD1-CD2 3.99Å; I283-L337 HydrophobicContact CD1-CG 4.33Å; I334-L337 HydrophobicContact CG2-CD1 4.47Å; I334-L337 WeakPolarHBondContact O-CB 3.42Å; I334-L337 WeakPolarHBondContact O-CG 3.33Å; I334-L337 PolarHBondContact O-N 3.38Å; I334-L337 VanDerWaalsContact O-N 3.17Å; E335-L337 VanDerWaalsContact C-N 3.32Å; L337-Y339 HydrophobicContact CB-CD2 4.42Å; L337-Y339 HydrophobicContact CB-CE1 4.25Å; L337-Y339 HydrophobicContact CB-CE2 4.09Å; L337-Y339 HydrophobicContact CD1-CE2 4.02Å; L337-Y339 PolarHBondContact O-N 3.42Å; L337-V340 HydrophobicContact CB-CB 4.22Å; L337-V340 HydrophobicContact CB-CG2 3.83Å; L337-V340 HydrophobicContact CD1-CG2 4.08Å; L337-V340 PolarHBondContact O-N 3.26Å
338P84.4Confident91.9Very high83 Ų8342.9 Ų42.954%0.53921%0.208SC..THydrogen-bonded Turntrans-63.2-19.6-170.124.1-34.6000114
339Y87.7Confident91.7Very high39 Ų3946.2 Ų46.215%0.15322%0.22CC..THydrogen-bonded Turntrans-96.9-6179.254.2-103.7000113.8D44 I276 N305 Y306 L337D44-Y339 WeakPolarHBondContact OD1-CE1 3.41Å; D44-Y339 PolarHBondContact OD2-OH 3.47Å; I276-Y339 HydrophobicContact CD1-CD2 4.49Å; I276-Y339 HydrophobicContact CD1-CE1 4.4Å; I276-Y339 HydrophobicContact CD1-CE2 4.19Å; I276-Y339 HydrophobicContact CG2-CD2 4.28Å; I276-Y339 HydrophobicContact CG2-CE2 3.79Å; N305-Y339 WeakPolarHBondContact CA-O 3.35Å; N305-Y339 WeakPolarHBondContact CB-O 3.27Å; Y306-Y339 AromaticContact CD2-CD2 3.83Å; Y306-Y339 HydrophobicContact CD2-CD2 3.83Å; Y306-Y339 HydrophobicContact CD2-CG 4.4Å; Y306-Y339 VanDerWaalsContact CD2-O 3.32Å; Y306-Y339 WeakPolarHBondContact CD2-O 3.48Å; Y306-Y339 HydrophobicContact CE2-CD2 4.27Å; Y306-Y339 PolarHBondContact N-O 3.18Å; L337-Y339 HydrophobicContact CB-CD2 4.42Å; L337-Y339 HydrophobicContact CB-CE1 4.25Å; L337-Y339 HydrophobicContact CB-CE2 4.09Å; L337-Y339 HydrophobicContact CD1-CE2 4.02Å; L337-Y339 PolarHBondContact O-N 3.42Å
340V91.1Very high91.4Very high9 Ų948.5 Ų48.56%0.05522%0.224CC..EExtended strand (participates in β ladder)trans-95130.3176.3176.70000109.1V308 I334 L337 R342V308-V340 HydrophobicContact CG2-CG1 3.96Å; V308-V340 HydrophobicContact CG2-CG2 3.79Å; I334-V340 HydrophobicContact CG2-CG1 4.21Å; I334-V340 HydrophobicContact CG2-CG2 4.25Å; I334-V340 WeakPolarHBondContact O-CB 3.2Å; L337-V340 HydrophobicContact CB-CB 4.22Å; L337-V340 HydrophobicContact CB-CG2 3.83Å; L337-V340 HydrophobicContact CD1-CG2 4.08Å; L337-V340 PolarHBondContact O-N 3.26Å; V340-R342 WeakPolarHBondContact CG1-O 3.29Å
341E88.7Confident90.8Very high49 Ų4952.8 Ų52.823%0.22924%0.243CC..EExtended strand (participates in β ladder)trans-89.9-35.9174.4-174.9164.1147.600111.8T141 F302 N305 Y306T141-E341 PolarHBondContact OG1-OE1 2.98Å; T141-E341 VanDerWaalsContact OG1-OE1 3.04Å; T141-E341 PolarHBondContact OG1-OE2 3.02Å; F302-E341 WeakPolarHBondContact CE1-OE1 3.34Å; N305-E341 HydrophobicContact CB-CB 3.77Å; Y306-E341 PolarHBondContact O-N 2.83Å
342R92.1Very high90Very high76 Ų7658.7 Ų58.729%0.28727%0.27SS..EExtended strand (participates in β ladder)trans-158.8145.9-177.9-176.980.2-165.2157.1-5.5108.9L307 V308 E335 V340 F344L307-R342 HydrophobicContact CD1-CB 3.56Å; L307-R342 HydrophobicContact CD1-CG 3.91Å; V308-R342 PolarHBondContact N-O 3.35Å; E335-R342 WeakPolarHBondContact OE1-CD 3.49Å; E335-R342 IonicContact OE1-CZ 3.57Å; E335-R342 IonicContact OE1-NE 2.85Å; E335-R342 PolarHBondContact OE1-NE 2.85Å; E335-R342 VanDerWaalsContact OE1-NE 3.1Å; E335-R342 IonicContact OE1-NH1 2.66Å; E335-R342 PolarHBondContact OE1-NH1 2.84Å; E335-R342 IonicContact OE1-NH2 3.32Å; E335-R342 IonicContact OE2-NH1 3.33Å; E335-R342 PolarHBondContact OE2-NH1 3.02Å; V340-R342 WeakPolarHBondContact CG1-O 3.29Å; R342-F344 HydrophobicContact CG-CE1 4.45Å; R342-F344 HydrophobicContact CG-CE2 4.12Å; R342-F344 HydrophobicContact CG-CZ 4.01Å
343A95.9Very high89.1Confident0 Ų058.7 Ų58.70%028%0.275CS..EExtended strand (participates in β ladder)trans-120.7147.8168.500000110.2V308 Q331 I334 E335V308-A343 HydrophobicContact CB-CB 4.32Å; V308-A343 CarbonylContact O-C 3.57Å; V308-A343 VanDerWaalsContact O-CA 3.22Å; V308-A343 WeakPolarHBondContact O-CA 3.36Å; Q331-A343 HydrophobicContact CG-CB 4.12Å; Q331-A343 WeakPolarHBondContact CG-O 3.41Å; I334-A343 HydrophobicContact CB-CB 3.89Å; I334-A343 HydrophobicContact CG2-CB 3.63Å; E335-A343 HydrophobicContact CG-CB 3.68Å; E335-A343 VanDerWaalsContact CG-N 3.3Å; E335-A343 PolarHBondContact OE1-N 3.47Å; E335-A343 VanDerWaalsContact OE1-N 3.1Å
344F95.3Very high88.1Confident80 Ų8064.2 Ų64.235%0.35129%0.294SS..EExtended strand (participates in β ladder)trans-122128.7166.8-64.2-70.2000107.7L307 V308 E309 V310 R342L307-F344 HydrophobicContact CD1-CD2 4.04Å; L307-F344 HydrophobicContact CD1-CE2 3.73Å; L307-F344 HydrophobicContact CD2-CE2 4.35Å; L307-F344 HydrophobicContact CG-CE2 4.42Å; V308-F344 PolarHBondContact O-N 3.33Å; E309-F344 CarbonylContact C-O 3.35Å; E309-F344 WeakPolarHBondContact CA-O 3.48Å; E309-F344 HydrophobicContact CG-CB 4.25Å; E309-F344 HydrophobicContact CG-CD2 4.15Å; V310-F344 PolarHBondContact N-O 3.31Å; R342-F344 HydrophobicContact CG-CE1 4.45Å; R342-F344 HydrophobicContact CG-CE2 4.12Å; R342-F344 HydrophobicContact CG-CZ 4.01Å
345V96.2Very high86.8Confident26 Ų2666.6 Ų66.616%0.15831%0.31CS..EExtended strand (participates in β ladder)trans-113.3111.3175.1-178.40000106.6V310 V312 L330 Q331 V347V310-V345 CarbonylContact O-C 3.6Å; V310-V345 WeakPolarHBondContact O-CA 3.41Å; V312-V345 HydrophobicContact CG2-CG1 3.98Å; L330-V345 HydrophobicContact CB-CG2 4.32Å; L330-V345 HydrophobicContact CD2-CG1 4.11Å; L330-V345 HydrophobicContact CD2-CG2 4.25Å; L330-V345 HydrophobicContact CG-CG2 4.11Å; Q331-V345 HydrophobicContact CB-CG2 3.84Å; V345-V347 HydrophobicContact CG1-CG2 4.47Å
346H94.1Very high85.7Confident83 Ų8370.5 Ų70.538%0.38433%0.328SS..EExtended strand (participates in β ladder)trans-90140.1168.5-159.760.6000108.9V310 H311 V312 D348 E358V310-H346 PolarHBondContact O-N 2.96Å; H311-H346 WeakPolarHBondContact CA-O 3.3Å; H311-H346 AromaticContact CE1-CD2 3.89Å; H311-H346 AromaticContact ND1-CD2 3.86Å; V312-H346 PolarHBondContact N-O 2.9Å; H346-D348 IonicContact CD2-OD1 4Å; H346-D348 PolarHBondContact CD2-OD1 3.13Å; H346-D348 IonicContact CD2-OD2 3.05Å; H346-D348 PolarHBondContact CD2-OD2 3.38Å; H346-D348 IonicContact NE2-OD1 2.75Å; H346-D348 PolarHBondContact NE2-OD1 2.92Å; H346-E358 IonicContact NE2-OE1 3.38Å
347V93.5Very high84.8Confident45 Ų4576.1 Ų76.127%0.27335%0.348SS..EExtended strand (participates in β ladder)trans-120.3118.9-178.5-179.90000108V312 L314 A323 S327 V345V312-V347 HydrophobicContact CG2-CG2 4.05Å; V312-V347 WeakPolarHBondContact O-CA 3.36Å; L314-V347 HydrophobicContact CB-CG1 4.14Å; L314-V347 HydrophobicContact CD1-CG1 3.7Å; L314-V347 HydrophobicContact CG-CG1 4.05Å; A323-V347 HydrophobicContact CB-CG1 4.35Å; S327-V347 VanDerWaalsContact CB-CG2 3.44Å; V345-V347 HydrophobicContact CG1-CG2 4.47Å
348D91.7Very high83.8Confident26 Ų2679.7 Ų79.714%0.13937%0.365CS..EExtended strand (participates in β ladder)trans-109.7155.4178.8-62.6-56.6000110.4H311 V312 V313 L314 H346H311-D348 IonicContact ND1-OD2 3.1Å; V312-D348 PolarHBondContact O-N 2.99Å; V313-D348 CarbonylContact C-O 3.53Å; V313-D348 VanDerWaalsContact CA-O 3.27Å; V313-D348 WeakPolarHBondContact CA-O 3.2Å; V313-D348 HydrophobicContact CG2-CB 4.41Å; L314-D348 PolarHBondContact N-O 3.37Å; H346-D348 IonicContact CD2-OD1 4Å; H346-D348 PolarHBondContact CD2-OD1 3.13Å; H346-D348 IonicContact CD2-OD2 3.05Å; H346-D348 PolarHBondContact CD2-OD2 3.38Å; H346-D348 IonicContact NE2-OD1 2.75Å; H346-D348 PolarHBondContact NE2-OD1 2.92Å
349Y89.4Confident83.1Confident133 Ų13379.7 Ų79.752%0.52236%0.358SS..SBendtrans-103.7-14.5169.669.2-94.4000112.1L314 E316L314-Y349 WeakPolarHBondContact O-CA 3.4Å; E316-Y349 HydrophobicContact CG-CD2 4.33Å; E316-Y349 HydrophobicContact CG-CG 4.47Å
350E84.9Confident82.5Confident71 Ų7187.1 Ų87.133%0.33239%0.391SS..  trans-122.5157.9-178.666.6-169.4172.800111.2H353E350-H353 IonicContact OE1-CD2 3.72Å; E350-H353 PolarHBondContact OE1-CD2 3.16Å; E350-H353 IonicContact OE1-NE2 3.65Å; E350-H353 PolarHBondContact OE1-NE2 3.18Å; E350-H353 IonicContact OE2-NE2 3.64Å
351F82.3Confident81.3Confident90 Ų9093.1 Ų93.140%0.39542%0.421SS..  trans-136.98.9-176.156.7-97.4000113.1V313V313-F351 HydrophobicContact CG1-CD1 4.35Å; V313-F351 HydrophobicContact CG2-CB 4.16Å
352E78Confident79.9Confident167 Ų16799.9 Ų99.978%0.7847%0.465SS*.  trans-82.4-22.5-176.7-64.1-167.7168.700112.5
353H72.9Confident79.3Confident109 Ų109101.1 Ų101.151%0.50547%0.474SS..SBendtrans-70.6144.2175.6-63.2-31.4000110.5E350E350-H353 IonicContact OE1-CD2 3.72Å; E350-H353 PolarHBondContact OE1-CD2 3.16Å; E350-H353 IonicContact OE1-NE2 3.65Å; E350-H353 PolarHBondContact OE1-NE2 3.18Å; E350-H353 IonicContact OE2-NE2 3.64Å
354R70.3Confident78.5Confident156 Ų156106.4 Ų106.459%0.58950%0.499SS*.  trans-87.1136.9169.5-59-168178-174.3-2108.1E356 Y357R354-E356 PolarHBondContact O-N 3.47Å; R354-Y357 HydrophobicContact CB-CD2 3.65Å; R354-Y357 HydrophobicContact CB-CE2 3.89Å; R354-Y357 HydrophobicContact CG-CD2 4.2Å; R354-Y357 HydrophobicContact CG-CE2 4.05Å; R354-Y357 PolarHBondContact O-N 3.12Å
355P67.4Low77.5Confident51 Ų51107.9 Ų107.933%0.33151%0.507SS..Hα-helixtrans-52.3-31.7177.6-26.129.7000113.5E295 T296 Y357 E358 H359E295-P355 HydrophobicContact CG-CG 4.32Å; E295-P355 WeakPolarHBondContact OE1-CG 3.46Å; T296-P355 WeakPolarHBondContact OG1-CG 3.4Å; P355-Y357 PolarHBondContact O-N 3.34Å; P355-E358 PolarHBondContact O-N 3.04Å; P355-H359 PolarHBondContact O-N 3.3Å
356E67.6Low76.4Confident123 Ų123112.7 Ų112.758%0.57553%0.528SS*.Hα-helixtrans-61.7-22.6178.7-61.3173.9-169.200114R354 I361R354-E356 PolarHBondContact O-N 3.47Å; E356-I361 HydrophobicContact CB-CD1 4.34Å
357Y68.6Low75.3Confident182 Ų182114.6 Ų114.671%0.71454%0.537SS*.Hα-helixtrans-99.2-23.4180-59.8-58.2000113.2R354 P355R354-Y357 HydrophobicContact CB-CD2 3.65Å; R354-Y357 HydrophobicContact CB-CE2 3.89Å; R354-Y357 HydrophobicContact CG-CD2 4.2Å; R354-Y357 HydrophobicContact CG-CE2 4.05Å; R354-Y357 PolarHBondContact O-N 3.12Å; P355-Y357 PolarHBondContact O-N 3.34Å
358E67.6Low74.1Confident76 Ų76119.2 Ų119.236%0.35556%0.555SS.*Hα-helixtrans-75.8-37-179.1-162.6-161.2149.700111.5H311 H346 P355H311-E358 IonicContact ND1-OE2 3.91Å; H346-E358 IonicContact NE2-OE1 3.38Å; P355-E358 PolarHBondContact O-N 3.04Å
359H70Confident72.8Confident83 Ų83125.9 Ų125.938%0.38458%0.584SS.*SBendtrans-113.4137.7-176.1-62.1-25.7000112.2H311 P355 I361H311-H359 AromaticContact CE1-CE1 3.88Å; H311-H359 AromaticContact CE1-NE2 3.18Å; H311-H359 PolarHBondContact CE1-NE2 3.09Å; H311-H359 AromaticContact NE2-NE2 3.62Å; P355-H359 PolarHBondContact O-N 3.3Å; H359-I361 PolarHBondContact O-N 3.48Å
360K74.1Confident71.6Confident195 Ų195125.3 Ų125.385%0.84859%0.589SS**  trans-66106170.5-174.6178.5-179179.10109.3V362K360-V362 PolarHBondContact O-N 2.92Å
361I66.8Low70.5Confident135 Ų135129.8 Ų129.869%0.69261%0.61SS**  trans-67.2123.2171.3-52.5174.9000107.9E356 H359E356-I361 HydrophobicContact CB-CD1 4.34Å; H359-I361 PolarHBondContact O-N 3.48Å
362V60.1Low69.4Low191 Ų191133.5 Ų133.5100%1.15863%0.63SS**  trans-104.90-180178.80000111.3K360K360-V362 PolarHBondContact O-N 2.92Å

Retrieved 362 of 362 residues in 73.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).