A0A077Z2N5_TRITR Loading...

SAC3 GANP domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z2N5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 343 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.1Very low68.2Low233 Ų233125.7 Ų125.7100%1.14869%0.687SS**  096.10-163171.6170.600106.1L3M1-L3 PolarHBondContact O-N 2.76Å
2R42.7Very low70.6Confident220 Ų220121.3 Ų121.383%0.8366%0.661SS**  trans-65.9130.7170-79.6178.4172.9165.3-2.8104.8D4R2-D4 PolarHBondContact O-N 3.45Å
3L49.2Very low72.7Confident172 Ų172112.6 Ų112.690%0.90162%0.615SS**  trans-65.984.1166.6-68.4165.7000104.8M1 A5M1-L3 PolarHBondContact O-N 2.76Å; L3-A5 PolarHBondContact O-N 3.06Å
4D51.2Low74.4Confident140 Ų140111.6 Ų111.675%0.74960%0.604SS**  trans-54.5132.9172.8-69.8-34.4000106.6R2 A6R2-D4 PolarHBondContact O-N 3.45Å; D4-A6 PolarHBondContact O-N 3.37Å
5A59.1Low75.9Confident96 Ų96106.6 Ų106.679%0.79358%0.581SS**  trans-29.3108.6-168.400000112.5L3 E7L3-A5 PolarHBondContact O-N 3.06Å; A5-E7 PolarHBondContact O-N 3.16Å; A5-E7 VanDerWaalsContact O-N 3.16Å
6A69.3Low77.3Confident95 Ų95101.8 Ų101.879%0.78555%0.554SS**PPolyproline II helixtrans-50.9126.917100000107.9D4D4-A6 PolarHBondContact O-N 3.37Å
7E77.4Confident78.4Confident175 Ų17595.9 Ų95.982%0.81852%0.521SS*.PPolyproline II helixtrans-52.6141.1176.5-71-178.5172.200109.2A5 L9A5-E7 PolarHBondContact O-N 3.16Å; A5-E7 VanDerWaalsContact O-N 3.16Å; E7-L9 PolarHBondContact O-N 3.34Å
8P84.6Confident79.4Confident105 Ų10590.9 Ų90.968%0.68250%0.495SS*.PPolyproline II helixtrans-58136.5179.125.7-33.7000109.3V10P8-V10 PolarHBondContact O-N 3.19Å; P8-V10 VanDerWaalsContact O-N 3.16Å
9L90.9Very high80.3Confident60 Ų6092.1 Ų92.131%0.31450%0.497SS..PPolyproline II helixtrans-65116.5178.517760000109.9E7 P70 I73 Q121 Q122E7-L9 PolarHBondContact O-N 3.34Å; L9-P70 HydrophobicContact CD1-CG 4.18Å; L9-I73 HydrophobicContact CD1-CD1 4.03Å; L9-I73 HydrophobicContact CD2-CD1 3.71Å; L9-I73 HydrophobicContact CG-CD1 4.03Å; L9-Q121 HydrophobicContact CD2-CG 3.57Å; L9-Q122 WeakPolarHBondContact O-CG 3.45Å
10V93.7Very high80.9Confident85 Ų8593.1 Ų93.152%0.51550%0.496SS..  trans-113.3125.9176.4-178.80000109.5P8P8-V10 PolarHBondContact O-N 3.19Å; P8-V10 VanDerWaalsContact O-N 3.16Å
11G96.3Very high81.6Confident2 Ų290.1 Ų90.12%0.02148%0.479CS..  trans-71.9130.6173.900000111.5I73 S75 Q122G11-I73 CarbonylContact C-O 3.53Å; G11-I73 WeakPolarHBondContact CA-O 3.42Å; G11-S75 WeakPolarHBondContact O-CA 3.48Å; G11-S75 WeakPolarHBondContact O-CB 3.47Å; G11-Q122 VanDerWaalsContact CA-OE1 3.31Å
12L96.9Very high84.3Confident72 Ų7282 Ų8238%0.37744%0.436SS..  trans-108.2-8-177.5-60.1-179.8000112.9Q14 P70 Y71 I73L12-Q14 PolarHBondContact O-N 3.34Å; L12-Q14 PolarHBondContact O-NE2 3.15Å; L12-P70 HydrophobicContact CD1-CB 3.86Å; L12-P70 HydrophobicContact CG-CB 3.95Å; L12-P70 PolarHBondContact N-O 3.28Å; L12-Y71 HydrophobicContact CB-CD1 3.87Å; L12-Y71 HydrophobicContact CB-CE1 4.04Å; L12-Y71 HydrophobicContact CB-CG 4.44Å; L12-Y71 HydrophobicContact CD1-CD1 4.27Å; L12-Y71 HydrophobicContact CD1-CD2 4.49Å; L12-Y71 HydrophobicContact CD1-CE1 3.82Å; L12-Y71 HydrophobicContact CD1-CE2 4.07Å; L12-I73 PolarHBondContact N-O 3.45Å; L12-I73 VanDerWaalsContact N-O 3.16Å
13C97.4Very high86.8Confident9 Ų978.5 Ų78.56%0.06142%0.424CS..BIsolated β-bridgetrans-68.6120.4177.1-179.70000110.4S15 Y71 I73 R74 S75 A78C13-S15 PolarHBondContact SG-O 3.42Å; C13-S15 VanDerWaalsContact SG-O 3.36Å; C13-S15 PolarHBondContact SG-OG 3.17Å; C13-S15 VanDerWaalsContact SG-OG 3.34Å; C13-Y71 WeakPolarHBondContact CB-O 3.36Å; C13-I73 WeakPolarHBondContact CB-O 3.42Å; C13-I73 PolarHBondContact N-O 3.42Å; C13-R74 HydrophobicContact CB-CG 4.43Å; C13-R74 WeakPolarHBondContact O-CA 3.4Å; C13-S75 PolarHBondContact O-N 2.88Å; C13-S75 PolarHBondContact O-OG 3.05Å; C13-A78 WeakPolarHBondContact O-CB 3.49Å
14Q97.2Very high88.8Confident98 Ų9874.2 Ų74.246%0.45840%0.399SS..  trans-95.4-5.4-179.4-59.2-56.1-27.400113.7L12 S75L12-Q14 PolarHBondContact O-N 3.34Å; L12-Q14 PolarHBondContact O-NE2 3.15Å; Q14-S75 PolarHBondContact NE2-OG 3.12Å; Q14-S75 PolarHBondContact OE1-OG 3.1Å
15S96.8Very high90.8Very high37 Ų3768.2 Ų68.226%0.25937%0.366SS..SBendtrans-100.6159.6177.754.40000111.9C13 C17 R74C13-S15 PolarHBondContact SG-O 3.42Å; C13-S15 VanDerWaalsContact SG-O 3.36Å; C13-S15 PolarHBondContact SG-OG 3.17Å; C13-S15 VanDerWaalsContact SG-OG 3.34Å; S15-C17 WeakPolarHBondContact CB-O 3.49Å; S15-C17 PolarHBondContact O-N 2.85Å; S15-C17 PolarHBondContact OG-O 3.37Å; S15-R74 WeakPolarHBondContact O-CG 3.34Å
16M97.5Very high92.2Very high30 Ų3066.5 Ų66.515%0.14834%0.342CS..SBendtrans-66.4-22176.8-61-170.8-64.300113.3S52 V55 K56 R74 T82 H85M16-S52 WeakPolarHBondContact CE-O 3.48Å; M16-V55 HydrophobicContact CB-CG2 4.36Å; M16-V55 HydrophobicContact SD-CG2 4.47Å; M16-K56 PolarHBondContact O-N 3.36Å; M16-R74 WeakPolarHBondContact O-CD 3.34Å; M16-R74 PolarHBondContact O-NH1 3.35Å; M16-R74 VanDerWaalsContact O-NH1 3.14Å; M16-T82 HydrophobicContact CB-CG2 4.43Å; M16-H85 HydrophobicContact CE-CB 4.15Å; M16-H85 HydrophobicContact SD-CB 3.36Å; M16-H85 WeakPolarHBondContact SD-CB 3.46Å; M16-H85 VanDerWaalsContact SD-CG 3.54Å
17C97.2Very high93.2Very high1 Ų168.8 Ų68.81%0.00734%0.34CS..SBendtrans-137127.5172.7-173.10000109.2S15 R22 M54S15-C17 WeakPolarHBondContact CB-O 3.49Å; S15-C17 PolarHBondContact O-N 2.85Å; S15-C17 PolarHBondContact OG-O 3.37Å; C17-R22 HydrophobicContact CB-CG 3.76Å; C17-R22 VanDerWaalsContact SG-CG 3.53Å; C17-M54 HydrophobicContact CB-CB 3.94Å; C17-M54 VanDerWaalsContact CB-O 3.24Å; C17-M54 WeakPolarHBondContact CB-O 3.41Å
18P96.5Very high93.9Very high6 Ų669.2 Ų69.24%0.03933%0.334CS..  trans-57.6145.4176.1-22.232.1000112.3K20 E21 R22 K56 E72P18-K20 PolarHBondContact O-N 2.83Å; P18-E21 PolarHBondContact O-N 3.36Å; P18-E21 VanDerWaalsContact O-N 3.12Å; P18-R22 PolarHBondContact O-N 3.46Å; P18-K56 HydrophobicContact CG-CD 4.04Å; P18-K56 HydrophobicContact CG-CG 4.3Å; P18-E72 WeakPolarHBondContact CG-O 3.41Å
19E94.8Very high94Very high114 Ų11470.7 Ų70.753%0.53333%0.331SS..Hα-helixtrans-56.1-47.1-175.1-179.8175.2-163.300113.4E21 R22 Y23E19-E21 VanDerWaalsContact C-N 3.33Å; E19-E21 PolarHBondContact O-N 2.77Å; E19-R22 WeakPolarHBondContact O-CB 3.16Å; E19-R22 PolarHBondContact O-N 2.98Å; E19-R22 VanDerWaalsContact O-N 3.16Å; E19-Y23 HydrophobicContact CG-CD2 3.76Å; E19-Y23 HydrophobicContact CG-CE2 3.34Å; E19-Y23 VanDerWaalsContact O-CD2 3.22Å; E19-Y23 WeakPolarHBondContact O-CD2 3.18Å; E19-Y23 PolarHBondContact O-N 3.33Å; E19-Y23 WeakPolarHBondContact OE1-CE2 3.18Å
20K94.1Very high94Very high112 Ų11274.1 Ų74.149%0.48734%0.34SS..Hα-helixtrans-55.3-47.3176.1-179.3-172.9168.6-170.40111.9P18 R22 Y23 E24 E72P18-K20 PolarHBondContact O-N 2.83Å; K20-R22 PolarHBondContact O-N 3.16Å; K20-Y23 PolarHBondContact O-N 2.77Å; K20-E24 WeakPolarHBondContact CE-OE1 3.4Å; K20-E24 WeakPolarHBondContact O-CG 3.36Å; K20-E24 PolarHBondContact O-N 2.96Å; K20-E72 WeakPolarHBondContact CD-OE1 3.34Å; K20-E72 IonicContact NZ-OE1 2.77Å; K20-E72 PolarHBondContact NZ-OE1 3.16Å
21E94.8Very high93.7Very high30 Ų3072.1 Ų72.114%0.1433%0.325CS..Hα-helixtrans-64.2-40.9178.7-179.2179.5147.200111.4P18 E19 Y23 E24 R25 K56 E57P18-E21 PolarHBondContact O-N 3.36Å; P18-E21 VanDerWaalsContact O-N 3.12Å; E19-E21 VanDerWaalsContact C-N 3.33Å; E19-E21 PolarHBondContact O-N 2.77Å; E21-Y23 PolarHBondContact O-N 2.65Å; E21-E24 PolarHBondContact O-N 2.87Å; E21-R25 HydrophobicContact CG-CG 4.09Å; E21-R25 WeakPolarHBondContact O-CB 3.42Å; E21-R25 WeakPolarHBondContact O-CG 3.22Å; E21-R25 PolarHBondContact O-N 3.15Å; E21-R25 WeakPolarHBondContact OE1-CD 3.45Å; E21-R25 IonicContact OE1-NH1 3.65Å; E21-R25 PolarHBondContact OE1-NH1 3.45Å; E21-K56 WeakPolarHBondContact OE1-CA 3.17Å; E21-K56 WeakPolarHBondContact OE2-CG 3.41Å; E21-E57 PolarHBondContact OE1-N 3.41Å
22R93.5Very high93.4Very high64 Ų6473.7 Ų73.724%0.24234%0.335CS..Hα-helixtrans-57.7-48.2176.4-68.2-167.2-62.9-164.5-1.7111.6C17 P18 E19 K20 R25 Q26 P51 M54C17-R22 HydrophobicContact CB-CG 3.76Å; C17-R22 VanDerWaalsContact SG-CG 3.53Å; P18-R22 PolarHBondContact O-N 3.46Å; E19-R22 WeakPolarHBondContact O-CB 3.16Å; E19-R22 PolarHBondContact O-N 2.98Å; E19-R22 VanDerWaalsContact O-N 3.16Å; K20-R22 PolarHBondContact O-N 3.16Å; R22-R25 PolarHBondContact O-N 3.31Å; R22-Q26 VanDerWaalsContact O-CB 3.27Å; R22-Q26 WeakPolarHBondContact O-CB 3.18Å; R22-Q26 PolarHBondContact O-N 3.43Å; R22-P51 PolarHBondContact NH1-O 2.75Å; R22-M54 HydrophobicContact CB-CE 4.31Å; R22-M54 HydrophobicContact CB-SD 3.87Å; R22-M54 HydrophobicContact CG-CB 4.23Å; R22-M54 HydrophobicContact CG-CE 4.3Å; R22-M54 HydrophobicContact CG-SD 3.73Å
23Y93.4Very high93Very high145 Ų14575.8 Ų75.857%0.56934%0.342SS*.Hα-helixtrans-62.9-46.8178.3-73.7-59.3000112.3E19 K20 E21 R25 Q26 L27E19-Y23 HydrophobicContact CG-CD2 3.76Å; E19-Y23 HydrophobicContact CG-CE2 3.34Å; E19-Y23 VanDerWaalsContact O-CD2 3.22Å; E19-Y23 WeakPolarHBondContact O-CD2 3.18Å; E19-Y23 PolarHBondContact O-N 3.33Å; E19-Y23 WeakPolarHBondContact OE1-CE2 3.18Å; K20-Y23 PolarHBondContact O-N 2.77Å; E21-Y23 PolarHBondContact O-N 2.65Å; Y23-R25 VanDerWaalsContact C-N 3.34Å; Y23-R25 PolarHBondContact O-N 2.79Å; Y23-Q26 PolarHBondContact O-N 3.29Å; Y23-L27 WeakPolarHBondContact O-CB 3.34Å; Y23-L27 VanDerWaalsContact O-CG 3.28Å; Y23-L27 WeakPolarHBondContact O-CG 3.35Å; Y23-L27 PolarHBondContact O-N 3.29Å
24E93Very high92.8Very high83 Ų8376.7 Ų76.739%0.38834%0.344SS..Hα-helixtrans-60.8-42.5179.2-73.3178.1-171.100112.4K20 E21 R28K20-E24 WeakPolarHBondContact CE-OE1 3.4Å; K20-E24 WeakPolarHBondContact O-CG 3.36Å; K20-E24 PolarHBondContact O-N 2.96Å; E21-E24 PolarHBondContact O-N 2.87Å; E24-R28 WeakPolarHBondContact O-CB 3.19Å; E24-R28 WeakPolarHBondContact O-CG 3.07Å; E24-R28 PolarHBondContact O-N 3.21Å
25R93.3Very high92.5Very high14 Ų1472 Ų725%0.05332%0.322CS..Hα-helixtrans-72.6-36.3-179.9-72.4-179.362.1-159.9-10.9112.4E21 R22 Y23 R28 H29 R30 E35 M54 V55 E57E21-R25 HydrophobicContact CG-CG 4.09Å; E21-R25 WeakPolarHBondContact O-CB 3.42Å; E21-R25 WeakPolarHBondContact O-CG 3.22Å; E21-R25 PolarHBondContact O-N 3.15Å; E21-R25 WeakPolarHBondContact OE1-CD 3.45Å; E21-R25 IonicContact OE1-NH1 3.65Å; E21-R25 PolarHBondContact OE1-NH1 3.45Å; R22-R25 PolarHBondContact O-N 3.31Å; Y23-R25 VanDerWaalsContact C-N 3.34Å; Y23-R25 PolarHBondContact O-N 2.79Å; R25-R28 PolarHBondContact O-N 3.44Å; R25-H29 PolarHBondContact O-N 3.02Å; R25-H29 VanDerWaalsContact O-N 3.15Å; R25-R30 PolarHBondContact NE-O 3.1Å; R25-R30 PolarHBondContact NH2-O 3.48Å; R25-R30 PolarHBondContact O-N 3.21Å; R25-E35 IonicContact CZ-OE1 3.61Å; R25-E35 IonicContact CZ-OE2 3.12Å; R25-E35 IonicContact NH1-OE1 3.44Å; R25-E35 PolarHBondContact NH1-OE1 2.9Å; R25-E35 IonicContact NH2-OE1 3.68Å; R25-E35 PolarHBondContact NH2-OE1 3.25Å; R25-E35 IonicContact NH2-OE2 3.76Å; R25-E35 PolarHBondContact NH2-OE2 3.27Å; R25-M54 HydrophobicContact CB-CE 3.8Å; R25-V55 PolarHBondContact NH1-O 2.93Å; R25-E57 IonicContact NE-OE2 2.74Å
26Q88.5Confident92.1Very high60 Ų6070.4 Ų70.428%0.2831%0.311SS..Hα-helixtrans-64.8-47.6174.2-177.468.8-1.700111.4R22 Y23 R28 H29R22-Q26 VanDerWaalsContact O-CB 3.27Å; R22-Q26 WeakPolarHBondContact O-CB 3.18Å; R22-Q26 PolarHBondContact O-N 3.43Å; Y23-Q26 PolarHBondContact O-N 3.29Å; Q26-R28 PolarHBondContact O-N 3.09Å; Q26-H29 PolarHBondContact O-N 3.48Å; Q26-H29 VanDerWaalsContact O-N 3.12Å
27L89.6Confident90.8Very high143 Ų14371.3 Ų71.375%0.74932%0.316SS*.Hα-helixtrans-60.7-30.4178.8-73.6171.7000112.9Y23Y23-L27 WeakPolarHBondContact O-CB 3.34Å; Y23-L27 VanDerWaalsContact O-CG 3.28Å; Y23-L27 WeakPolarHBondContact O-CG 3.35Å; Y23-L27 PolarHBondContact O-N 3.29Å
28R91.5Very high89.5Confident183 Ų18372.5 Ų72.569%0.69133%0.326SS*.THydrogen-bonded Turntrans-95.64.3-179.6-66.1176.9179.3169.62.4113.6E24 R25 Q26 R30E24-R28 WeakPolarHBondContact O-CB 3.19Å; E24-R28 WeakPolarHBondContact O-CG 3.07Å; E24-R28 PolarHBondContact O-N 3.21Å; R25-R28 PolarHBondContact O-N 3.44Å; Q26-R28 PolarHBondContact O-N 3.09Å; R28-R30 HydrophobicContact CB-CB 4.36Å; R28-R30 PolarHBondContact O-N 2.84Å
29H87.6Confident88Confident136 Ų13673.5 Ų73.563%0.6334%0.335SS*.THydrogen-bonded Turntrans48.539-172.2-63.6-86.5000113.1R25 Q26 F31R25-H29 PolarHBondContact O-N 3.02Å; R25-H29 VanDerWaalsContact O-N 3.15Å; Q26-H29 PolarHBondContact O-N 3.48Å; Q26-H29 VanDerWaalsContact O-N 3.12Å; H29-F31 HydrophobicContact CB-CE1 4.47Å
30R89.3Confident86.5Confident132 Ų13271.9 Ų71.950%0.49834%0.335SS..  trans-104.772.8-177.5-171.4-174.7166.3151.32.9110.7R25 R28 E57R25-R30 PolarHBondContact NE-O 3.1Å; R25-R30 PolarHBondContact NH2-O 3.48Å; R25-R30 PolarHBondContact O-N 3.21Å; R28-R30 HydrophobicContact CB-CB 4.36Å; R28-R30 PolarHBondContact O-N 2.84Å; R30-E57 IonicContact CZ-OE1 3.07Å; R30-E57 IonicContact CZ-OE2 2.65Å; R30-E57 IonicContact NE-OE1 2.63Å; R30-E57 IonicContact NE-OE2 3.29Å; R30-E57 PolarHBondContact NE-OE2 3.41Å; R30-E57 VanDerWaalsContact NE-OE2 3.07Å; R30-E57 IonicContact NH2-OE1 2.66Å; R30-E57 PolarHBondContact NH2-OE1 3.43Å; R30-E57 IonicContact NH2-OE2 2.69Å; R30-E57 PolarHBondContact NH2-OE2 3.03Å
31F88.1Confident85.2Confident44 Ų4471.8 Ų71.819%0.19334%0.336CS..  trans-138.2155.317555.8-95.2000111.1H29 E35 G46 A49H29-F31 HydrophobicContact CB-CE1 4.47Å; F31-E35 HydrophobicContact CB-CB 4.27Å; F31-G46 VanDerWaalsContact CE2-O 3.24Å; F31-G46 WeakPolarHBondContact CE2-O 3.22Å; F31-A49 HydrophobicContact CB-CB 4.05Å; F31-A49 HydrophobicContact CD1-CB 3.76Å; F31-A49 HydrophobicContact CD2-CB 4.2Å; F31-A49 HydrophobicContact CE1-CB 4.26Å; F31-A49 HydrophobicContact CG-CB 3.73Å
32S90Very high83.7Confident34 Ų3480.1 Ų80.124%0.23838%0.375CS..  trans-86161.1177.4-176.30000110.7Y34 E35 S36 F107S32-Y34 PolarHBondContact O-N 3.46Å; S32-Y34 WeakPolarHBondContact OG-CD2 3.4Å; S32-E35 PolarHBondContact N-OE2 2.96Å; S32-E35 PolarHBondContact O-N 3.1Å; S32-S36 PolarHBondContact O-N 3.43Å; S32-F107 WeakPolarHBondContact OG-CD2 3.3Å
33F89.4Confident82.3Confident117 Ų11781.1 Ų81.151%0.51341%0.405SS..G310 helixtrans-45.5-43.9166.2172.2-101.8000112E35 S36 A38 A39F33-E35 PolarHBondContact O-N 3.33Å; F33-E35 VanDerWaalsContact O-N 3.1Å; F33-S36 PolarHBondContact O-N 3.26Å; F33-S36 PolarHBondContact O-OG 3.45Å; F33-A38 HydrophobicContact CD2-CB 4.33Å; F33-A38 HydrophobicContact CE2-CB 3.92Å; F33-A39 HydrophobicContact CE1-CB 4.28Å; F33-A39 HydrophobicContact CZ-CB 4.42Å
34Y91.8Very high81Confident27 Ų2776.9 Ų76.911%0.10639%0.393CS..G310 helixtrans-66.6-10.3-179.5-55.3-69.2000115S32 V90 W104 F107S32-Y34 PolarHBondContact O-N 3.46Å; S32-Y34 WeakPolarHBondContact OG-CD2 3.4Å; Y34-V90 HydrophobicContact CD1-CG1 4.13Å; Y34-V90 HydrophobicContact CE1-CG1 4.46Å; Y34-V90 HydrophobicContact CG-CG1 4.19Å; Y34-W104 AromaticContact CZ-CD1 3.86Å; Y34-W104 WeakPolarHBondContact OH-CA 3.27Å; Y34-W104 VanDerWaalsContact OH-CB 3.3Å; Y34-W104 WeakPolarHBondContact OH-CB 3.48Å; Y34-F107 HydrophobicContact CD2-CB 3.87Å; Y34-F107 AromaticContact CD2-CD1 3.82Å; Y34-F107 HydrophobicContact CD2-CD1 3.82Å; Y34-F107 HydrophobicContact CD2-CD2 4.01Å; Y34-F107 HydrophobicContact CD2-CE1 4.37Å; Y34-F107 AromaticContact CD2-CG 3.61Å; Y34-F107 HydrophobicContact CD2-CG 3.61Å; Y34-F107 HydrophobicContact CE2-CB 4.1Å; Y34-F107 HydrophobicContact CE2-CG 4.32Å; Y34-F107 HydrophobicContact CG-CD1 4.23Å; Y34-F107 HydrophobicContact CG-CE1 4.38Å; Y34-F107 HydrophobicContact CG-CG 4.38Å
35E92.7Very high79.6Confident0 Ų079.9 Ų79.90%041%0.411CS..G310 helixtrans-109.43.1177.8-62.3166.4132.100111.8R25 F31 S32 F33 A49 D50 M54 V55 F107 R111R25-E35 IonicContact CZ-OE1 3.61Å; R25-E35 IonicContact CZ-OE2 3.12Å; R25-E35 IonicContact NH1-OE1 3.44Å; R25-E35 PolarHBondContact NH1-OE1 2.9Å; R25-E35 IonicContact NH2-OE1 3.68Å; R25-E35 PolarHBondContact NH2-OE1 3.25Å; R25-E35 IonicContact NH2-OE2 3.76Å; R25-E35 PolarHBondContact NH2-OE2 3.27Å; F31-E35 HydrophobicContact CB-CB 4.27Å; S32-E35 PolarHBondContact N-OE2 2.96Å; S32-E35 PolarHBondContact O-N 3.1Å; F33-E35 PolarHBondContact O-N 3.33Å; F33-E35 VanDerWaalsContact O-N 3.1Å; E35-A49 WeakPolarHBondContact O-CA 3.04Å; E35-D50 PolarHBondContact O-N 2.64Å; E35-M54 HydrophobicContact CB-CG 4.33Å; E35-V55 PolarHBondContact OE1-N 3.5Å; E35-V55 VanDerWaalsContact OE1-O 3.13Å; E35-F107 HydrophobicContact CG-CE2 3.72Å; E35-F107 HydrophobicContact CG-CZ 3.9Å; E35-R111 VanDerWaalsContact CD-NH2 3.32Å; E35-R111 IonicContact OE1-CZ 2.78Å; E35-R111 IonicContact OE1-NE 3.27Å; E35-R111 IonicContact OE1-NH2 3.69Å; E35-R111 PolarHBondContact OE1-NH2 2.87Å; E35-R111 IonicContact OE2-NH2 3.07Å; E35-R111 PolarHBondContact OE2-NH2 3.43Å
36S86.7Confident78.5Confident4 Ų479.7 Ų79.73%0.02841%0.414CS..BIsolated β-bridgetrans-103.3156.9-179.475.50000111.4S32 F33 A38 A39 L53S32-S36 PolarHBondContact O-N 3.43Å; F33-S36 PolarHBondContact O-N 3.26Å; F33-S36 PolarHBondContact O-OG 3.45Å; S36-A38 PolarHBondContact O-N 3.36Å; S36-A39 WeakPolarHBondContact O-CB 3.04Å; S36-A39 PolarHBondContact O-N 3.03Å; S36-L53 WeakPolarHBondContact O-CD1 3.22Å
37L71.5Confident77.9Confident48 Ų4882.3 Ų82.325%0.25143%0.43SS..G310 helixtrans-59.8-25175.3-71.7170.8000113A39 C40 E41 N44 D50L37-A39 PolarHBondContact O-N 2.91Å; L37-A39 VanDerWaalsContact O-N 3.12Å; L37-C40 PolarHBondContact O-N 3.36Å; L37-E41 PolarHBondContact O-N 3.06Å; L37-N44 HydrophobicContact CB-CB 4.47Å; L37-N44 VanDerWaalsContact CB-ND2 3.28Å; L37-N44 WeakPolarHBondContact CB-ND2 3.32Å; L37-N44 WeakPolarHBondContact CD1-ND2 3.43Å; L37-D50 HydrophobicContact CD2-CB 3.9Å; L37-D50 WeakPolarHBondContact CD2-OD2 3.38Å; L37-D50 HydrophobicContact CG-CB 4.16Å
38A69.7Low77.6Confident26 Ų2682.3 Ų82.322%0.21542%0.424CS..G310 helixtrans-60.7-19.4175.300000113.2F33 S36 C40 N44F33-A38 HydrophobicContact CD2-CB 4.33Å; F33-A38 HydrophobicContact CE2-CB 3.92Å; S36-A38 PolarHBondContact O-N 3.36Å; A38-C40 VanDerWaalsContact C-N 3.29Å; A38-N44 WeakPolarHBondContact CB-O 3.33Å
39A64Low77.4Confident27 Ų2774 Ų7422%0.22339%0.394CS..G310 helixtrans-75.1-17.1172.900000113.8F33 S36 L37F33-A39 HydrophobicContact CE1-CB 4.28Å; F33-A39 HydrophobicContact CZ-CB 4.42Å; S36-A39 WeakPolarHBondContact O-CB 3.04Å; S36-A39 PolarHBondContact O-N 3.03Å; L37-A39 PolarHBondContact O-N 2.91Å; L37-A39 VanDerWaalsContact O-N 3.12Å
40C64Low77.4Confident80 Ų8069.2 Ų69.254%0.54137%0.373SS..THydrogen-bonded Turntrans-118.4-30-175-68.30000113.5L37 A38L37-C40 PolarHBondContact O-N 3.36Å; A38-C40 VanDerWaalsContact C-N 3.29Å
41E67.1Low77.5Confident110 Ų11066.4 Ų66.451%0.51437%0.372SS..SBendtrans-122.1118.5-174.7-64.1179.4170.800110.8L37 G43L37-E41 PolarHBondContact O-N 3.06Å; E41-G43 PolarHBondContact O-N 3.48Å
42E63.9Low77.6Confident206 Ų20667.8 Ų67.896%0.96339%0.387SS*.THydrogen-bonded Turntrans-65124.7172.4-69.1-179.3178.300110
43G62.3Low77.7Confident84 Ų8467 Ų6787%0.86638%0.38SS*.THydrogen-bonded Turntrans99.15176.600000116.2E41E41-G43 PolarHBondContact O-N 3.48Å
44N66.9Low78Confident57 Ų5761.5 Ų61.531%0.30536%0.356SS..  trans-88.5130.5170.2-164.5-40.7000110.2L37 A38 G46L37-N44 HydrophobicContact CB-CB 4.47Å; L37-N44 VanDerWaalsContact CB-ND2 3.28Å; L37-N44 WeakPolarHBondContact CB-ND2 3.32Å; L37-N44 WeakPolarHBondContact CD1-ND2 3.43Å; A38-N44 WeakPolarHBondContact CB-O 3.33Å; N44-G46 PolarHBondContact O-N 3.39Å; N44-G46 PolarHBondContact OD1-N 3.12Å
45D64.7Low78.3Confident145 Ų14560.2 Ų60.278%0.77535%0.351SS*.  trans-65-7.9-179.5-78.8-22.1000113.5D47D45-D47 PolarHBondContact O-N 3.23Å
46G70.1Confident78.5Confident11 Ų1160.7 Ų60.711%0.11335%0.353CS..  trans73.412.7175.300000113.6F31 N44 K48F31-G46 VanDerWaalsContact CE2-O 3.24Å; F31-G46 WeakPolarHBondContact CE2-O 3.22Å; N44-G46 PolarHBondContact O-N 3.39Å; N44-G46 PolarHBondContact OD1-N 3.12Å; G46-K48 PolarHBondContact O-N 2.7Å; G46-K48 VanDerWaalsContact O-N 3.12Å
47D75.9Confident78.9Confident114 Ų11462.1 Ų62.161%0.6136%0.359SS*.  trans-68.9-9.1-176.1-81.4-14.6000114.8D45D45-D47 PolarHBondContact O-N 3.23Å
48K82.2Confident80.1Confident143 Ų14362.1 Ų62.162%0.62236%0.357SS*.SBendtrans-129.5133.8179.9-63.9-179.2-176.7174.20110.7G46G46-K48 PolarHBondContact O-N 2.7Å; G46-K48 VanDerWaalsContact O-N 3.12Å
49A86.9Confident81Confident8 Ų864.8 Ų64.87%0.06637%0.371CS..BIsolated β-bridgetrans-67.2141.6167.400000110.2F31 E35 P51 M54F31-A49 HydrophobicContact CB-CB 4.05Å; F31-A49 HydrophobicContact CD1-CB 3.76Å; F31-A49 HydrophobicContact CD2-CB 4.2Å; F31-A49 HydrophobicContact CE1-CB 4.26Å; F31-A49 HydrophobicContact CG-CB 3.73Å; E35-A49 WeakPolarHBondContact O-CA 3.04Å; A49-P51 WeakPolarHBondContact O-CD 3.48Å; A49-M54 HydrophobicContact CB-CE 4.27Å; A49-M54 HydrophobicContact CB-CG 4.02Å; A49-M54 HydrophobicContact CB-SD 3.77Å
50D89.3Confident82Confident36 Ų3673.6 Ų73.619%0.19340%0.398CS..  trans-89.3116.2166.6-176.6-22.6000108.6E35 L37 S52 L53 M54E35-D50 PolarHBondContact O-N 2.64Å; L37-D50 HydrophobicContact CD2-CB 3.9Å; L37-D50 WeakPolarHBondContact CD2-OD2 3.38Å; L37-D50 HydrophobicContact CG-CB 4.16Å; D50-S52 PolarHBondContact O-N 3.16Å; D50-S52 VanDerWaalsContact OD1-CB 3.29Å; D50-S52 WeakPolarHBondContact OD1-CB 3.21Å; D50-S52 PolarHBondContact OD1-N 3.12Å; D50-S52 PolarHBondContact OD1-OG 3.34Å; D50-S52 PolarHBondContact OD2-OG 3.11Å; D50-S52 VanDerWaalsContact OD2-OG 3.09Å; D50-L53 HydrophobicContact CB-CB 4.17Å; D50-L53 HydrophobicContact CB-CD1 3.84Å; D50-L53 HydrophobicContact CB-CG 3.83Å; D50-L53 PolarHBondContact O-N 3Å; D50-M54 WeakPolarHBondContact O-CG 3.34Å; D50-M54 PolarHBondContact O-N 3.39Å; D50-M54 VanDerWaalsContact O-N 3.14Å
51P89.8Confident82.8Confident73 Ų7373.9 Ų73.947%0.47440%0.401SS..THydrogen-bonded Turntrans-55.8-19.7178.7-25.735.2000115.2R22 A49R22-P51 PolarHBondContact NH1-O 2.75Å; A49-P51 WeakPolarHBondContact O-CD 3.48Å
52S90.5Very high83.2Confident73 Ų7371.9 Ų71.951%0.5140%0.403SS..THydrogen-bonded Turntrans-83.3-19.6176.277.30000113.8M16 D50M16-S52 WeakPolarHBondContact CE-O 3.48Å; D50-S52 PolarHBondContact O-N 3.16Å; D50-S52 VanDerWaalsContact OD1-CB 3.29Å; D50-S52 WeakPolarHBondContact OD1-CB 3.21Å; D50-S52 PolarHBondContact OD1-N 3.12Å; D50-S52 PolarHBondContact OD1-OG 3.34Å; D50-S52 PolarHBondContact OD2-OG 3.11Å; D50-S52 VanDerWaalsContact OD2-OG 3.09Å
53L93.2Very high83.4Confident17 Ų1767.4 Ų67.49%0.08940%0.402CS..THydrogen-bonded Turntrans-99.6-17.6177-56179.6000112.6S36 D50 V55S36-L53 WeakPolarHBondContact O-CD1 3.22Å; D50-L53 HydrophobicContact CB-CB 4.17Å; D50-L53 HydrophobicContact CB-CD1 3.84Å; D50-L53 HydrophobicContact CB-CG 3.83Å; D50-L53 PolarHBondContact O-N 3Å; L53-V55 PolarHBondContact O-N 2.69Å
54M95.4Very high83.5Confident3 Ų367.5 Ų67.52%0.01540%0.403CS..  trans-63129.8-179.2-69.2-174.585.900112.4C17 R22 R25 E35 A49 D50C17-M54 HydrophobicContact CB-CB 3.94Å; C17-M54 VanDerWaalsContact CB-O 3.24Å; C17-M54 WeakPolarHBondContact CB-O 3.41Å; R22-M54 HydrophobicContact CB-CE 4.31Å; R22-M54 HydrophobicContact CB-SD 3.87Å; R22-M54 HydrophobicContact CG-CB 4.23Å; R22-M54 HydrophobicContact CG-CE 4.3Å; R22-M54 HydrophobicContact CG-SD 3.73Å; R25-M54 HydrophobicContact CB-CE 3.8Å; E35-M54 HydrophobicContact CB-CG 4.33Å; A49-M54 HydrophobicContact CB-CE 4.27Å; A49-M54 HydrophobicContact CB-CG 4.02Å; A49-M54 HydrophobicContact CB-SD 3.77Å; D50-M54 WeakPolarHBondContact O-CG 3.34Å; D50-M54 PolarHBondContact O-N 3.39Å; D50-M54 VanDerWaalsContact O-N 3.14Å
55V97.5Very high83.5Confident0 Ų067.9 Ų67.90%041%0.41CS..  trans-120.8134.1176.2-179.90000109.8M16 R25 E35 L53 E57 T82 M86 R111M16-V55 HydrophobicContact CB-CG2 4.36Å; M16-V55 HydrophobicContact SD-CG2 4.47Å; R25-V55 PolarHBondContact NH1-O 2.93Å; E35-V55 PolarHBondContact OE1-N 3.5Å; E35-V55 VanDerWaalsContact OE1-O 3.13Å; L53-V55 PolarHBondContact O-N 2.69Å; V55-E57 PolarHBondContact O-N 3.2Å; V55-T82 HydrophobicContact CG1-CG2 3.44Å; V55-T82 VanDerWaalsContact CG1-CG2 3.44Å; V55-T82 HydrophobicContact CG2-CG2 4.29Å; V55-M86 HydrophobicContact CB-SD 4.49Å; V55-M86 HydrophobicContact CG1-SD 4.3Å; V55-M86 HydrophobicContact CG2-SD 4.09Å; V55-R111 HydrophobicContact CB-CG 4.13Å; V55-R111 HydrophobicContact CG1-CB 4.01Å; V55-R111 HydrophobicContact CG1-CG 3.78Å; V55-R111 PolarHBondContact O-NE 3.34Å
56K97.2Very high83.8Confident10 Ų1065.3 Ų65.34%0.04341%0.409CS..  trans-48.5121.2-179.7-158.4-173.5-178.4-172.90112.3M16 P18 E21 E72 R111 M114 E118M16-K56 PolarHBondContact O-N 3.36Å; P18-K56 HydrophobicContact CG-CD 4.04Å; P18-K56 HydrophobicContact CG-CG 4.3Å; E21-K56 WeakPolarHBondContact OE1-CA 3.17Å; E21-K56 WeakPolarHBondContact OE2-CG 3.41Å; K56-E72 VanDerWaalsContact CE-O 3.22Å; K56-E72 WeakPolarHBondContact CE-O 3.24Å; K56-E72 PolarHBondContact NZ-O 3.29Å; K56-R111 VanDerWaalsContact O-CD 3.27Å; K56-R111 WeakPolarHBondContact O-CD 3.48Å; K56-M114 HydrophobicContact CB-CG 4.34Å; K56-M114 HydrophobicContact CD-CE 3.7Å; K56-M114 HydrophobicContact CD-CG 4Å; K56-M114 HydrophobicContact CG-CE 4.01Å; K56-M114 HydrophobicContact CG-CG 4.16Å; K56-E118 WeakPolarHBondContact CD-OE1 3.32Å; K56-E118 IonicContact NZ-OE1 2.64Å; K56-E118 PolarHBondContact NZ-OE1 3Å
57E95.6Very high84.3Confident33 Ų3372 Ų7215%0.15444%0.442CS..  trans-80.5143.2-177.2-169.3-176.516600111.4E21 R25 R30 V55 V59 M114E21-E57 PolarHBondContact OE1-N 3.41Å; R25-E57 IonicContact NE-OE2 2.74Å; R30-E57 IonicContact CZ-OE1 3.07Å; R30-E57 IonicContact CZ-OE2 2.65Å; R30-E57 IonicContact NE-OE1 2.63Å; R30-E57 IonicContact NE-OE2 3.29Å; R30-E57 PolarHBondContact NE-OE2 3.41Å; R30-E57 VanDerWaalsContact NE-OE2 3.07Å; R30-E57 IonicContact NH2-OE1 2.66Å; R30-E57 PolarHBondContact NH2-OE1 3.43Å; R30-E57 IonicContact NH2-OE2 2.69Å; R30-E57 PolarHBondContact NH2-OE2 3.03Å; V55-E57 PolarHBondContact O-N 3.2Å; E57-V59 PolarHBondContact O-N 3.36Å; E57-M114 WeakPolarHBondContact O-CE 3.39Å
58F95.2Very high84.7Confident48 Ų4868.8 Ų68.821%0.21143%0.429CS..  trans-73113.1169.7176.9-96.7000111.1R60 S110 K113 M114F58-R60 HydrophobicContact CE1-CG 4.01Å; F58-S110 WeakPolarHBondContact CB-O 3.47Å; F58-S110 PolarHBondContact N-OG 3.04Å; F58-K113 HydrophobicContact CB-CB 3.99Å; F58-K113 HydrophobicContact CD1-CB 4.25Å; F58-K113 HydrophobicContact CD1-CD 4.17Å; F58-K113 HydrophobicContact CD2-CB 3.57Å; F58-K113 HydrophobicContact CE1-CD 4.35Å; F58-K113 HydrophobicContact CE2-CB 3.98Å; F58-K113 HydrophobicContact CG-CB 3.69Å; F58-K113 HydrophobicContact CG-CD 4.42Å; F58-M114 HydrophobicContact CB-CB 4.05Å; F58-M114 HydrophobicContact CB-SD 4.43Å; F58-M114 HydrophobicContact CD2-SD 4.19Å
59V90.3Very high85.1Confident83 Ų8366.9 Ų66.950%0.50343%0.425SS..  trans-107.1133.4171-175.90000109.1E57 S61 R117E57-V59 PolarHBondContact O-N 3.36Å; V59-S61 PolarHBondContact O-N 2.65Å; V59-R117 PolarHBondContact O-NH1 3.42Å; V59-R117 PolarHBondContact O-NH2 2.98Å; V59-R117 VanDerWaalsContact O-NH2 3.12Å
60R84.2Confident85.5Confident211 Ų21168.8 Ų68.880%0.79644%0.437SS*.PPolyproline II helixtrans-65.5130.4173.8-66.7-176.2-177.4-172.91.2108.9F58 A62F58-R60 HydrophobicContact CE1-CG 4.01Å; R60-A62 PolarHBondContact O-N 2.69Å
61S80.1Confident85.7Confident86 Ų8675.3 Ų75.360%0.60146%0.46SS*.PPolyproline II helixtrans-62128.6171.6-49.90000108.4V59V59-S61 PolarHBondContact O-N 2.65Å
62A75.9Confident86Confident68 Ų6873.9 Ų73.956%0.56245%0.446SS*.PPolyproline II helixtrans-87.7148.8172.200000108.9R60 G64 S65R60-A62 PolarHBondContact O-N 2.69Å; A62-G64 PolarHBondContact O-N 2.94Å; A62-S65 WeakPolarHBondContact O-CB 3.34Å; A62-S65 PolarHBondContact O-N 3.46Å; A62-S65 PolarHBondContact O-OG 3.24Å
63A68.1Low86.3Confident113 Ų11370.4 Ų70.493%0.93442%0.422SS*.THydrogen-bonded Turntrans-56.7126172.700000109.6
64G63.7Low86.5Confident86 Ų8669.6 Ų69.689%0.88742%0.418SS*.THydrogen-bonded Turntrans84.64.6-178.200000115.9A62 A66A62-G64 PolarHBondContact O-N 2.94Å; G64-A66 PolarHBondContact O-N 3.45Å
65S67Low86.6Confident64 Ų6470 Ų7045%0.44842%0.421SS..PPolyproline II helixtrans-64.1132.5167.858.80000110A62A62-S65 WeakPolarHBondContact O-CB 3.34Å; A62-S65 PolarHBondContact O-N 3.46Å; A62-S65 PolarHBondContact O-OG 3.24Å
66A72.4Confident86.6Confident92 Ų9271.7 Ų71.776%0.7643%0.429SS*.PPolyproline II helixtrans-55.1145.8171.600000110.5G64 S68G64-A66 PolarHBondContact O-N 3.45Å; A66-S68 PolarHBondContact O-N 3.33Å
67D79.3Confident86.6Confident151 Ų15176.5 Ų76.581%0.80745%0.452SS*.PPolyproline II helixtrans-54.7137.2172.8-68-36000109.6L69D67-L69 PolarHBondContact O-N 3.11Å
68S85Confident86.7Confident47 Ų4775 Ų7533%0.32945%0.445SS..PPolyproline II helixtrans-60132.1179.2-59.80000110A66A66-S68 PolarHBondContact O-N 3.33Å
69L91.4Very high86.9Confident103 Ų10372.7 Ų72.754%0.53944%0.435SS..PPolyproline II helixtrans-65.7150.9179-63.9173.2000110.1D67 Y71 E72 I73D67-L69 PolarHBondContact O-N 3.11Å; L69-Y71 PolarHBondContact O-N 2.66Å; L69-Y71 VanDerWaalsContact O-N 3.12Å; L69-E72 HydrophobicContact CB-CG 4.19Å; L69-E72 PolarHBondContact N-OE2 2.87Å; L69-E72 VanDerWaalsContact N-OE2 3.15Å; L69-E72 WeakPolarHBondContact O-CA 3.49Å; L69-E72 WeakPolarHBondContact O-CB 3.33Å; L69-E72 PolarHBondContact O-N 2.99Å; L69-I73 PolarHBondContact O-N 3.11Å
70P93.6Very high87.3Confident48 Ų4871.2 Ų71.231%0.31242%0.424SS..G310 helixtrans-49.7-39.2174.3-31.937.5000113.8L9 L12 E72 I73L9-P70 HydrophobicContact CD1-CG 4.18Å; L12-P70 HydrophobicContact CD1-CB 3.86Å; L12-P70 HydrophobicContact CG-CB 3.95Å; L12-P70 PolarHBondContact N-O 3.28Å; P70-E72 VanDerWaalsContact C-N 3.26Å; P70-E72 PolarHBondContact O-N 3.01Å; P70-I73 PolarHBondContact O-N 3.37Å; P70-I73 VanDerWaalsContact O-N 3.17Å; P70-I73 VanDerWaalsContact O-O 3.11Å
71Y95.2Very high87.9Confident173 Ų17365.7 Ų65.768%0.67841%0.406SS*.G310 helixtrans-72.4-13.6177.4-65.5-77.4000114.7L12 C13 L69L12-Y71 HydrophobicContact CB-CD1 3.87Å; L12-Y71 HydrophobicContact CB-CE1 4.04Å; L12-Y71 HydrophobicContact CB-CG 4.44Å; L12-Y71 HydrophobicContact CD1-CD1 4.27Å; L12-Y71 HydrophobicContact CD1-CD2 4.49Å; L12-Y71 HydrophobicContact CD1-CE1 3.82Å; L12-Y71 HydrophobicContact CD1-CE2 4.07Å; C13-Y71 WeakPolarHBondContact CB-O 3.36Å; L69-Y71 PolarHBondContact O-N 2.66Å; L69-Y71 VanDerWaalsContact O-N 3.12Å
72E94.7Very high88.8Confident42 Ų4261.6 Ų61.620%0.19638%0.377CS..G310 helixtrans-90.4-13.3172.8-64.9175.7151.200111.1P18 K20 K56 L69 P70P18-E72 WeakPolarHBondContact CG-O 3.41Å; K20-E72 WeakPolarHBondContact CD-OE1 3.34Å; K20-E72 IonicContact NZ-OE1 2.77Å; K20-E72 PolarHBondContact NZ-OE1 3.16Å; K56-E72 VanDerWaalsContact CE-O 3.22Å; K56-E72 WeakPolarHBondContact CE-O 3.24Å; K56-E72 PolarHBondContact NZ-O 3.29Å; L69-E72 HydrophobicContact CB-CG 4.19Å; L69-E72 PolarHBondContact N-OE2 2.87Å; L69-E72 VanDerWaalsContact N-OE2 3.15Å; L69-E72 WeakPolarHBondContact O-CA 3.49Å; L69-E72 WeakPolarHBondContact O-CB 3.33Å; L69-E72 PolarHBondContact O-N 2.99Å; P70-E72 VanDerWaalsContact C-N 3.26Å; P70-E72 PolarHBondContact O-N 3.01Å
73I96.5Very high89.8Confident0 Ų058.7 Ų58.70%035%0.352CS..SBendtrans-102.6130.7-177.2-59169.7000110L9 G11 L12 C13 L69 P70 E118 Q122L9-I73 HydrophobicContact CD1-CD1 4.03Å; L9-I73 HydrophobicContact CD2-CD1 3.71Å; L9-I73 HydrophobicContact CG-CD1 4.03Å; G11-I73 CarbonylContact C-O 3.53Å; G11-I73 WeakPolarHBondContact CA-O 3.42Å; L12-I73 PolarHBondContact N-O 3.45Å; L12-I73 VanDerWaalsContact N-O 3.16Å; C13-I73 WeakPolarHBondContact CB-O 3.42Å; C13-I73 PolarHBondContact N-O 3.42Å; L69-I73 PolarHBondContact O-N 3.11Å; P70-I73 PolarHBondContact O-N 3.37Å; P70-I73 VanDerWaalsContact O-N 3.17Å; P70-I73 VanDerWaalsContact O-O 3.11Å; I73-E118 HydrophobicContact CG2-CB 4.33Å; I73-E118 HydrophobicContact CG2-CG 4.15Å; I73-Q122 HydrophobicContact CG2-CG 3.95Å; I73-Q122 VanDerWaalsContact CG2-NE2 3.29Å
74R97.9Very high91.2Very high0 Ų059.1 Ų59.10%034%0.335CS..BIsolated β-bridgetrans-65.7133.8178.9-75.2178.6-69.2-164.20.1112.6C13 S15 M16 A78 L79 T82 E118 Q122C13-R74 HydrophobicContact CB-CG 4.43Å; C13-R74 WeakPolarHBondContact O-CA 3.4Å; S15-R74 WeakPolarHBondContact O-CG 3.34Å; M16-R74 WeakPolarHBondContact O-CD 3.34Å; M16-R74 PolarHBondContact O-NH1 3.35Å; M16-R74 VanDerWaalsContact O-NH1 3.14Å; R74-A78 HydrophobicContact CB-CB 3.95Å; R74-A78 HydrophobicContact CG-CB 4.08Å; R74-L79 HydrophobicContact CB-CD2 3.83Å; R74-L79 HydrophobicContact CB-CG 3.91Å; R74-T82 PolarHBondContact NH1-OG1 2.92Å; R74-E118 IonicContact CZ-OE2 3.02Å; R74-E118 PolarHBondContact N-OE1 3.4Å; R74-E118 VanDerWaalsContact N-OE1 3.11Å; R74-E118 IonicContact NE-OE1 3.33Å; R74-E118 IonicContact NE-OE2 2.68Å; R74-E118 PolarHBondContact NE-OE2 3.12Å; R74-E118 IonicContact NH2-OE2 3.74Å; R74-E118 PolarHBondContact NH2-OE2 3.25Å; R74-Q122 PolarHBondContact O-NE2 3.3Å; R74-Q122 PolarHBondContact O-OE1 3.17Å
75S97.7Very high92.8Very high11 Ų1155.8 Ų55.88%0.07730%0.296CS..PPolyproline II helixtrans-63.6163.1167.374.70000110.7G11 C13 Q14 E77 A78 L79G11-S75 WeakPolarHBondContact O-CA 3.48Å; G11-S75 WeakPolarHBondContact O-CB 3.47Å; C13-S75 PolarHBondContact O-N 2.88Å; C13-S75 PolarHBondContact O-OG 3.05Å; Q14-S75 PolarHBondContact NE2-OG 3.12Å; Q14-S75 PolarHBondContact OE1-OG 3.1Å; S75-E77 PolarHBondContact O-N 2.79Å; S75-E77 PolarHBondContact OG-N 3.26Å; S75-A78 PolarHBondContact O-N 2.86Å; S75-A78 VanDerWaalsContact O-N 3.11Å; S75-A78 PolarHBondContact OG-N 2.9Å; S75-A78 VanDerWaalsContact OG-N 3.1Å; S75-L79 WeakPolarHBondContact O-CG 3.49Å; S75-L79 PolarHBondContact O-N 3.3Å
76M97.4Very high94.2Very high36 Ų3652.8 Ų52.818%0.17728%0.275CS..Hα-helixtrans-57.6-37.7174.7-173.360.5-130.100112.3L79 N80 I124 D128 A129 I132M76-L79 HydrophobicContact CE-CB 4.39Å; M76-L79 PolarHBondContact O-N 3.41Å; M76-L79 HydrophobicContact SD-CD1 4.46Å; M76-N80 WeakPolarHBondContact CE-OD1 3.46Å; M76-N80 PolarHBondContact O-N 3.37Å; M76-I124 HydrophobicContact CB-CD1 4.28Å; M76-I124 HydrophobicContact CG-CG2 4.23Å; M76-I124 HydrophobicContact SD-CD1 3.98Å; M76-I124 HydrophobicContact SD-CG2 3.72Å; M76-D128 HydrophobicContact CE-CB 3.53Å; M76-A129 HydrophobicContact SD-CB 4.12Å; M76-I132 HydrophobicContact CE-CD1 3.64Å
77E97.7Very high95.3Very high112 Ų11250.5 Ų50.552%0.52325%0.25SS..Hα-helixtrans-63-44.1175.7-170.4-174.3154.500111.4S75 N80 K81S75-E77 PolarHBondContact O-N 2.79Å; S75-E77 PolarHBondContact OG-N 3.26Å; E77-N80 PolarHBondContact O-N 3.06Å; E77-K81 WeakPolarHBondContact O-CG 3.35Å; E77-K81 PolarHBondContact O-N 3.45Å; E77-K81 VanDerWaalsContact OE1-CE 3.24Å; E77-K81 WeakPolarHBondContact OE1-CE 3.41Å; E77-K81 IonicContact OE1-NZ 2.75Å; E77-K81 PolarHBondContact OE1-NZ 3.02Å
78A98.2Very high95.9Very high0 Ų048 Ų480%024%0.236CC..Hα-helixtrans-67.1-34.9176.200000112.7C13 R74 S75 T82C13-A78 WeakPolarHBondContact O-CB 3.49Å; R74-A78 HydrophobicContact CB-CB 3.95Å; R74-A78 HydrophobicContact CG-CB 4.08Å; S75-A78 PolarHBondContact O-N 2.86Å; S75-A78 VanDerWaalsContact O-N 3.11Å; S75-A78 PolarHBondContact OG-N 2.9Å; S75-A78 VanDerWaalsContact OG-N 3.1Å; A78-T82 WeakPolarHBondContact O-CB 3.49Å; A78-T82 PolarHBondContact O-N 3.35Å; A78-T82 PolarHBondContact O-OG1 2.63Å
79L98.5Very high96.2Very high0 Ų049.9 Ų49.90%024%0.239CC..Hα-helixtrans-64.3-43.4174-69.4168.2000111.3R74 S75 M76 T82 M83 I115 E118 I119 I124 I132R74-L79 HydrophobicContact CB-CD2 3.83Å; R74-L79 HydrophobicContact CB-CG 3.91Å; S75-L79 WeakPolarHBondContact O-CG 3.49Å; S75-L79 PolarHBondContact O-N 3.3Å; M76-L79 HydrophobicContact CE-CB 4.39Å; M76-L79 PolarHBondContact O-N 3.41Å; M76-L79 HydrophobicContact SD-CD1 4.46Å; L79-T82 PolarHBondContact O-N 3.22Å; L79-M83 PolarHBondContact O-N 3.19Å; L79-I115 HydrophobicContact CD2-CB 4.49Å; L79-I115 HydrophobicContact CD2-CG1 4.37Å; L79-I115 HydrophobicContact CD2-CG2 4.26Å; L79-E118 HydrophobicContact CD2-CB 4.18Å; L79-I119 HydrophobicContact CD1-CG1 3.86Å; L79-I124 HydrophobicContact CD1-CD1 3.74Å; L79-I132 HydrophobicContact CB-CD1 4.14Å
80N98Very high96.4Very high53 Ų5345 Ų4528%0.28321%0.214SC..Hα-helixtrans-60.2-51.7173.9-87.1-28.5000111.6M76 E77 T82 M83 E84 D128M76-N80 WeakPolarHBondContact CE-OD1 3.46Å; M76-N80 PolarHBondContact O-N 3.37Å; E77-N80 PolarHBondContact O-N 3.06Å; N80-T82 VanDerWaalsContact C-N 3.25Å; N80-T82 PolarHBondContact O-N 3.48Å; N80-M83 PolarHBondContact O-N 3.12Å; N80-M83 VanDerWaalsContact O-N 3.15Å; N80-E84 WeakPolarHBondContact O-CB 3.06Å; N80-E84 PolarHBondContact O-N 3.5Å; N80-D128 PolarHBondContact ND2-OD2 3.36Å
81K97.9Very high96.4Very high94 Ų9443 Ų4341%0.40920%0.2SC..Hα-helixtrans-56.1-42175.9-72174.8-174.9167.50111.7E77 H85E77-K81 WeakPolarHBondContact O-CG 3.35Å; E77-K81 PolarHBondContact O-N 3.45Å; E77-K81 VanDerWaalsContact OE1-CE 3.24Å; E77-K81 WeakPolarHBondContact OE1-CE 3.41Å; E77-K81 IonicContact OE1-NZ 2.75Å; E77-K81 PolarHBondContact OE1-NZ 3.02Å; K81-H85 WeakPolarHBondContact O-CB 3.32Å; K81-H85 PolarHBondContact O-N 3.27Å
82T98.3Very high96.3Very high0 Ų037.6 Ų37.60%019%0.192CC..Hα-helixtrans-62.5-50.8176.5-53.60000111M16 V55 R74 A78 L79 N80 E84 H85 M86 I115M16-T82 HydrophobicContact CB-CG2 4.43Å; V55-T82 HydrophobicContact CG1-CG2 3.44Å; V55-T82 VanDerWaalsContact CG1-CG2 3.44Å; V55-T82 HydrophobicContact CG2-CG2 4.29Å; R74-T82 PolarHBondContact NH1-OG1 2.92Å; A78-T82 WeakPolarHBondContact O-CB 3.49Å; A78-T82 PolarHBondContact O-N 3.35Å; A78-T82 PolarHBondContact O-OG1 2.63Å; L79-T82 PolarHBondContact O-N 3.22Å; N80-T82 VanDerWaalsContact C-N 3.25Å; N80-T82 PolarHBondContact O-N 3.48Å; T82-E84 VanDerWaalsContact C-N 3.3Å; T82-E84 PolarHBondContact O-N 3.18Å; T82-H85 PolarHBondContact O-N 3.24Å; T82-M86 HydrophobicContact CG2-CG 4.12Å; T82-M86 WeakPolarHBondContact O-CB 3.46Å; T82-M86 VanDerWaalsContact O-CG 3.22Å; T82-M86 WeakPolarHBondContact O-CG 3.28Å; T82-M86 PolarHBondContact O-N 2.97Å; T82-I115 HydrophobicContact CG2-CD1 3.9Å; T82-I115 HydrophobicContact CG2-CG1 4.38Å
83M97.9Very high96.1Very high8 Ų841.2 Ų41.24%0.03921%0.207CC..Hα-helixtrans-63.4-39.4-177.1-168.468.8-113.400111.2L79 N80 M86 L87 I91 I115 I132 M135L79-M83 PolarHBondContact O-N 3.19Å; N80-M83 PolarHBondContact O-N 3.12Å; N80-M83 VanDerWaalsContact O-N 3.15Å; M83-M86 HydrophobicContact CE-CB 4.02Å; M83-M86 PolarHBondContact O-N 3.12Å; M83-L87 HydrophobicContact CE-CD1 4.19Å; M83-L87 HydrophobicContact CE-CD2 3.99Å; M83-L87 HydrophobicContact CE-CG 3.65Å; M83-L87 HydrophobicContact CG-CD1 4.23Å; M83-L87 WeakPolarHBondContact O-CB 3.31Å; M83-L87 VanDerWaalsContact O-CG 3.25Å; M83-L87 WeakPolarHBondContact O-CG 3.46Å; M83-L87 PolarHBondContact O-N 3.25Å; M83-I91 HydrophobicContact CE-CD1 3.92Å; M83-I115 HydrophobicContact SD-CD1 4.22Å; M83-I132 HydrophobicContact CB-CD1 4.15Å; M83-I132 HydrophobicContact CB-CG1 4.02Å; M83-I132 HydrophobicContact CG-CG1 4.04Å; M83-I132 HydrophobicContact CG-CG2 4.25Å; M83-I132 HydrophobicContact SD-CG2 4.09Å; M83-M135 HydrophobicContact CE-CG 4.05Å
84E97Very high95.9Very high121 Ų12143.5 Ų43.557%0.56522%0.217SC*.Hα-helixtrans-61.1-49.2173.9-178.8173.1-148.900111.8N80 T82 M86 L87 L88N80-E84 WeakPolarHBondContact O-CB 3.06Å; N80-E84 PolarHBondContact O-N 3.5Å; T82-E84 VanDerWaalsContact C-N 3.3Å; T82-E84 PolarHBondContact O-N 3.18Å; E84-M86 PolarHBondContact O-N 3.38Å; E84-L87 PolarHBondContact O-N 3.22Å; E84-L88 HydrophobicContact CG-CD1 3.8Å; E84-L88 HydrophobicContact CG-CG 4.45Å; E84-L88 WeakPolarHBondContact O-CG 3.29Å; E84-L88 PolarHBondContact O-N 3.39Å
85H96.5Very high95.6Very high17 Ų1744.3 Ų44.38%0.07922%0.223CC..Hα-helixtrans-58-47.9175.7172.686.7000111.9M16 K81 T82 L87 L88 H89M16-H85 HydrophobicContact CE-CB 4.15Å; M16-H85 HydrophobicContact SD-CB 3.36Å; M16-H85 WeakPolarHBondContact SD-CB 3.46Å; M16-H85 VanDerWaalsContact SD-CG 3.54Å; K81-H85 WeakPolarHBondContact O-CB 3.32Å; K81-H85 PolarHBondContact O-N 3.27Å; T82-H85 PolarHBondContact O-N 3.24Å; H85-L87 VanDerWaalsContact C-N 3.28Å; H85-L87 PolarHBondContact O-N 3.24Å; H85-L88 PolarHBondContact O-N 3.23Å; H85-H89 AromaticContact CE1-ND1 3.72Å; H85-H89 AromaticContact CG-ND1 3.8Å; H85-H89 AromaticContact ND1-CE1 3.97Å; H85-H89 AromaticContact ND1-CG 3.94Å; H85-H89 AromaticContact ND1-ND1 3.17Å; H85-H89 PolarHBondContact ND1-ND1 3.44Å; H85-H89 VanDerWaalsContact ND1-ND1 3.17Å; H85-H89 WeakPolarHBondContact O-CB 3.27Å; H85-H89 PolarHBondContact O-N 3.44Å; H85-H89 PolarHBondContact O-ND1 2.78Å
86M97.1Very high95.2Very high1 Ų150.4 Ų50.41%0.00526%0.26CS..Hα-helixtrans-58.5-40.4177.5-73-66.2-57.200111.6V55 T82 M83 E84 V90 I91 F107 I108 R111V55-M86 HydrophobicContact CB-SD 4.49Å; V55-M86 HydrophobicContact CG1-SD 4.3Å; V55-M86 HydrophobicContact CG2-SD 4.09Å; T82-M86 HydrophobicContact CG2-CG 4.12Å; T82-M86 WeakPolarHBondContact O-CB 3.46Å; T82-M86 VanDerWaalsContact O-CG 3.22Å; T82-M86 WeakPolarHBondContact O-CG 3.28Å; T82-M86 PolarHBondContact O-N 2.97Å; M83-M86 HydrophobicContact CE-CB 4.02Å; M83-M86 PolarHBondContact O-N 3.12Å; E84-M86 PolarHBondContact O-N 3.38Å; M86-V90 HydrophobicContact CE-CB 4.47Å; M86-V90 HydrophobicContact CE-CG1 4.43Å; M86-V90 WeakPolarHBondContact O-CB 3.22Å; M86-V90 PolarHBondContact O-N 3.07Å; M86-V90 HydrophobicContact SD-CG2 4.35Å; M86-I91 WeakPolarHBondContact O-CG1 3.4Å; M86-I91 PolarHBondContact O-N 3.47Å; M86-F107 HydrophobicContact CE-CD1 4.12Å; M86-F107 HydrophobicContact CE-CE1 3.81Å; M86-F107 HydrophobicContact SD-CE1 3.82Å; M86-I108 HydrophobicContact CE-CB 4.29Å; M86-I108 HydrophobicContact CE-CG1 4.04Å; M86-I108 HydrophobicContact CE-CG2 4.29Å; M86-R111 HydrophobicContact CE-CB 3.64Å; M86-R111 HydrophobicContact CE-CG 3.94Å; M86-R111 HydrophobicContact SD-CB 3.84Å; M86-R111 HydrophobicContact SD-CG 3.9Å
87L94.9Very high94.9Very high44 Ų4454.3 Ų54.323%0.2328%0.278CS..Iπ-helixtrans-67.2-49.7177.9-74.7167.1000112.1M83 E84 H85 I91 A92 M135 F325M83-L87 HydrophobicContact CE-CD1 4.19Å; M83-L87 HydrophobicContact CE-CD2 3.99Å; M83-L87 HydrophobicContact CE-CG 3.65Å; M83-L87 HydrophobicContact CG-CD1 4.23Å; M83-L87 WeakPolarHBondContact O-CB 3.31Å; M83-L87 VanDerWaalsContact O-CG 3.25Å; M83-L87 WeakPolarHBondContact O-CG 3.46Å; M83-L87 PolarHBondContact O-N 3.25Å; E84-L87 PolarHBondContact O-N 3.22Å; H85-L87 VanDerWaalsContact C-N 3.28Å; H85-L87 PolarHBondContact O-N 3.24Å; L87-I91 HydrophobicContact CD2-CD1 3.85Å; L87-I91 HydrophobicContact CG-CD1 4.45Å; L87-A92 WeakPolarHBondContact O-CB 3.44Å; L87-A92 PolarHBondContact O-N 3.42Å; L87-M135 HydrophobicContact CD1-CE 4.01Å; L87-M135 HydrophobicContact CD1-CG 4.29Å; L87-M135 HydrophobicContact CD2-CE 4.05Å; L87-M135 HydrophobicContact CD2-CG 3.87Å; L87-M135 HydrophobicContact CD2-SD 3.74Å; L87-F325 HydrophobicContact CD2-CE1 4.31Å
88L92.6Very high94.5Very high98 Ų9852.6 Ų52.651%0.51327%0.272SS..Iπ-helixtrans-77.1-39.4-171.4-66.1175.4000113.2E84 H85E84-L88 HydrophobicContact CG-CD1 3.8Å; E84-L88 HydrophobicContact CG-CG 4.45Å; E84-L88 WeakPolarHBondContact O-CG 3.29Å; E84-L88 PolarHBondContact O-N 3.39Å; H85-L88 PolarHBondContact O-N 3.23Å
89H92.1Very high94.2Very high86 Ų8657 Ų5740%0.39830%0.303SS..Iπ-helixtrans-104.1-13.3-169.2-55.6109.1000113.9H85H85-H89 AromaticContact CE1-ND1 3.72Å; H85-H89 AromaticContact CG-ND1 3.8Å; H85-H89 AromaticContact ND1-CE1 3.97Å; H85-H89 AromaticContact ND1-CG 3.94Å; H85-H89 AromaticContact ND1-ND1 3.17Å; H85-H89 PolarHBondContact ND1-ND1 3.44Å; H85-H89 VanDerWaalsContact ND1-ND1 3.17Å; H85-H89 WeakPolarHBondContact O-CB 3.27Å; H85-H89 PolarHBondContact O-N 3.44Å; H85-H89 PolarHBondContact O-ND1 2.78Å
90V94.5Very high93.9Very high2 Ų260.7 Ų60.71%0.01232%0.322CS..Iπ-helixtrans-125.3-60.7-175.9-171.20000111.4Y34 M86 K93 W104 F107 I108Y34-V90 HydrophobicContact CD1-CG1 4.13Å; Y34-V90 HydrophobicContact CE1-CG1 4.46Å; Y34-V90 HydrophobicContact CG-CG1 4.19Å; M86-V90 HydrophobicContact CE-CB 4.47Å; M86-V90 HydrophobicContact CE-CG1 4.43Å; M86-V90 WeakPolarHBondContact O-CB 3.22Å; M86-V90 PolarHBondContact O-N 3.07Å; M86-V90 HydrophobicContact SD-CG2 4.35Å; V90-K93 CarbonylContact O-C 3.57Å; V90-K93 PolarHBondContact O-N 2.93Å; V90-W104 PolarHBondContact O-NE1 3.38Å; V90-F107 HydrophobicContact CG1-CD1 3.73Å; V90-F107 HydrophobicContact CG1-CE1 3.9Å; V90-F107 HydrophobicContact CG2-CE1 4Å; V90-I108 HydrophobicContact CG1-CD1 4.07Å; V90-I108 HydrophobicContact CG1-CG1 3.68Å
91I94.8Very high93.8Very high4 Ų458.1 Ų58.12%0.02131%0.309CS..Iπ-helixtrans-68.6-42.4-175.6-63.2166000111M83 M86 L87 K93 W104 I108 F139 F325M83-I91 HydrophobicContact CE-CD1 3.92Å; M86-I91 WeakPolarHBondContact O-CG1 3.4Å; M86-I91 PolarHBondContact O-N 3.47Å; L87-I91 HydrophobicContact CD2-CD1 3.85Å; L87-I91 HydrophobicContact CG-CD1 4.45Å; I91-K93 VanDerWaalsContact C-N 3.25Å; I91-K93 PolarHBondContact O-N 3.27Å; I91-W104 HydrophobicContact CG2-CZ2 4.46Å; I91-I108 HydrophobicContact CD1-CG2 4.11Å; I91-I108 HydrophobicContact CG1-CD1 3.73Å; I91-I108 HydrophobicContact CG1-CG1 4.04Å; I91-I108 HydrophobicContact CG1-CG2 4.03Å; I91-F139 HydrophobicContact CD1-CD2 4.38Å; I91-F139 HydrophobicContact CG1-CD2 4.38Å; I91-F139 HydrophobicContact CG1-CE2 4.35Å; I91-F139 HydrophobicContact CG2-CD2 4.07Å; I91-F139 HydrophobicContact CG2-CE2 4.27Å; I91-F325 HydrophobicContact CG2-CB 4.44Å; I91-F325 HydrophobicContact CG2-CD1 3.35Å; I91-F325 HydrophobicContact CG2-CE1 3.87Å; I91-F325 HydrophobicContact CG2-CG 4.17Å
92A92Very high93.6Very high60 Ų6055 Ų5550%0.49630%0.299SS..SBendtrans-71.7-19.8177.900000113.4L87 E94L87-A92 WeakPolarHBondContact O-CB 3.44Å; L87-A92 PolarHBondContact O-N 3.42Å; A92-E94 VanDerWaalsContact C-N 3.32Å; A92-E94 PolarHBondContact O-N 3.24Å
93K91Very high93.5Very high118 Ų11857.9 Ų57.951%0.51332%0.318SS..SBendtrans-98.252.9176.6-65-167.5-179.7-178.20110.7V90 I91V90-K93 CarbonylContact O-C 3.57Å; V90-K93 PolarHBondContact O-N 2.93Å; I91-K93 VanDerWaalsContact C-N 3.25Å; I91-K93 PolarHBondContact O-N 3.27Å
94E92Very high93.4Very high48 Ų4857.5 Ų57.522%0.22432%0.317CS..  trans-59.2132.6176.4-171.1-174.1121.800110.7A92 L101 W104 Y142 R146A92-E94 VanDerWaalsContact C-N 3.32Å; A92-E94 PolarHBondContact O-N 3.24Å; E94-L101 HydrophobicContact CG-CD2 4.02Å; E94-W104 HydrophobicContact CB-CZ2 4.07Å; E94-W104 HydrophobicContact CG-CH2 4.03Å; E94-W104 HydrophobicContact CG-CZ2 3.98Å; E94-W104 HydrophobicContact CG-CZ3 4.35Å; E94-Y142 PolarHBondContact OE2-OH 3.09Å; E94-R146 IonicContact OE1-CZ 2.85Å; E94-R146 IonicContact OE1-NE 3.7Å; E94-R146 PolarHBondContact OE1-NE 3.09Å; E94-R146 IonicContact OE1-NH2 2.64Å; E94-R146 PolarHBondContact OE1-NH2 2.84Å; E94-R146 IonicContact OE2-NE 3.05Å
95P92.1Very high93.4Very high18 Ų1852.4 Ų52.412%0.11729%0.292CS..  trans-60.5140.3176.7-22.531.8000112.6L100 L101 W104P95-L100 HydrophobicContact CB-CB 3.66Å; P95-L100 HydrophobicContact CB-CD1 4.21Å; P95-L100 HydrophobicContact CG-CB 3.92Å; P95-L101 HydrophobicContact CB-CD2 4.44Å; P95-W104 HydrophobicContact CG-CB 3.89Å; P95-W104 HydrophobicContact CG-CG 4.05Å
96T88.7Confident93.4Very high139 Ų13956.1 Ų56.185%0.85331%0.313SS*.SBendtrans-76.4-28.3172.447.70000112.5
97E90.7Very high93.4Very high117 Ų11756.5 Ų56.555%0.54731%0.314SS..SBendtrans-86.3124177.8-66.2179.3-136.800111.2S99 L100E97-S99 PolarHBondContact O-N 2.84Å; E97-L100 HydrophobicContact CB-CD1 4.14Å; E97-L100 HydrophobicContact CB-CG 4.2Å; E97-L100 PolarHBondContact O-N 3.5Å; E97-L100 VanDerWaalsContact O-N 3.09Å
98D90.4Very high93.5Very high77 Ų7754.4 Ų54.441%0.41230%0.303SS..G310 helixtrans-61.9-29.4-177.3-72.6-22.4000113.1L100 L101 R146 I149 L150D98-L100 PolarHBondContact O-N 2.99Å; D98-L101 HydrophobicContact CB-CD1 4.06Å; D98-L101 WeakPolarHBondContact O-CB 3.13Å; D98-L101 PolarHBondContact O-N 3.07Å; D98-L101 WeakPolarHBondContact OD1-CD1 3.37Å; D98-R146 IonicContact OD1-NH1 3.84Å; D98-R146 IonicContact OD1-NH2 3.9Å; D98-I149 WeakPolarHBondContact OD1-CD1 3.35Å; D98-L150 HydrophobicContact CB-CD2 4.27Å; D98-L150 VanDerWaalsContact O-CD2 3.3Å; D98-L150 WeakPolarHBondContact O-CD2 3.35Å
99S90.3Very high93.8Very high93 Ų9349.8 Ų49.865%0.6528%0.28SS*.G310 helixtrans-59.7-27.7176.754.30000113.4E97E97-S99 PolarHBondContact O-N 2.84Å
100L93.2Very high94.1Very high76 Ų7646.6 Ų46.640%0.39827%0.267SS..G310 helixtrans-88.4-16.7-176.8-61.8179000113.1P95 E97 D98 S102 S103 W104P95-L100 HydrophobicContact CB-CB 3.66Å; P95-L100 HydrophobicContact CB-CD1 4.21Å; P95-L100 HydrophobicContact CG-CB 3.92Å; E97-L100 HydrophobicContact CB-CD1 4.14Å; E97-L100 HydrophobicContact CB-CG 4.2Å; E97-L100 PolarHBondContact O-N 3.5Å; E97-L100 VanDerWaalsContact O-N 3.09Å; D98-L100 PolarHBondContact O-N 2.99Å; L100-S102 VanDerWaalsContact C-N 3.29Å; L100-S102 PolarHBondContact O-N 3.25Å; L100-S103 PolarHBondContact O-N 3.48Å; L100-S103 PolarHBondContact O-OG 2.95Å; L100-W104 PolarHBondContact O-N 3.01Å
101L94.9Very high94.2Very high0 Ų047 Ų470%027%0.268CS..Hα-helixtrans-63.2-32.5-172.8-65.6169.3000114E94 P95 D98 W104 Y105 R146 L147 I149 L150E94-L101 HydrophobicContact CG-CD2 4.02Å; P95-L101 HydrophobicContact CB-CD2 4.44Å; D98-L101 HydrophobicContact CB-CD1 4.06Å; D98-L101 WeakPolarHBondContact O-CB 3.13Å; D98-L101 PolarHBondContact O-N 3.07Å; D98-L101 WeakPolarHBondContact OD1-CD1 3.37Å; L101-W104 HydrophobicContact CD2-CE3 4.46Å; L101-W104 PolarHBondContact O-N 3.3Å; L101-Y105 WeakPolarHBondContact O-CB 3.49Å; L101-Y105 PolarHBondContact O-N 3.14Å; L101-R146 VanDerWaalsContact CD1-CZ 3.47Å; L101-R146 VanDerWaalsContact CD2-NH2 3.33Å; L101-L147 HydrophobicContact CB-CD2 3.77Å; L101-I149 HydrophobicContact CD1-CD1 4.39Å; L101-L150 HydrophobicContact CB-CD1 4.29Å; L101-L150 HydrophobicContact CB-CD2 4.44Å; L101-L150 HydrophobicContact CD1-CD2 4.12Å
102S95.3Very high94.4Very high29 Ų2946.9 Ų46.920%0.20327%0.268CS..Hα-helixtrans-62.8-49.6175.8173.90000110.8L100 W104 Y105 D106L100-S102 VanDerWaalsContact C-N 3.29Å; L100-S102 PolarHBondContact O-N 3.25Å; S102-W104 VanDerWaalsContact C-N 3.32Å; S102-W104 PolarHBondContact O-N 3.13Å; S102-Y105 PolarHBondContact O-N 3.28Å; S102-D106 WeakPolarHBondContact O-CB 3.33Å; S102-D106 PolarHBondContact O-N 3.43Å
103S94.7Very high94.7Very high59 Ų5946.5 Ų46.541%0.41326%0.255SS..Hα-helixtrans-64.6-36.717871.80000112.9L100 F107L100-S103 PolarHBondContact O-N 3.48Å; L100-S103 PolarHBondContact O-OG 2.95Å; S103-F107 WeakPolarHBondContact O-CB 3.15Å; S103-F107 PolarHBondContact O-N 3.3Å; S103-F107 VanDerWaalsContact O-N 3.11Å
104W96.1Very high95Very high0 Ų041.5 Ų41.50%023%0.233CC..Hα-helixtrans-61.6-49.9173.4175.976.4000111.6Y34 V90 I91 E94 P95 L100 L101 S102 F107 I108 F139 Y142Y34-W104 AromaticContact CZ-CD1 3.86Å; Y34-W104 WeakPolarHBondContact OH-CA 3.27Å; Y34-W104 VanDerWaalsContact OH-CB 3.3Å; Y34-W104 WeakPolarHBondContact OH-CB 3.48Å; V90-W104 PolarHBondContact O-NE1 3.38Å; I91-W104 HydrophobicContact CG2-CZ2 4.46Å; E94-W104 HydrophobicContact CB-CZ2 4.07Å; E94-W104 HydrophobicContact CG-CH2 4.03Å; E94-W104 HydrophobicContact CG-CZ2 3.98Å; E94-W104 HydrophobicContact CG-CZ3 4.35Å; P95-W104 HydrophobicContact CG-CB 3.89Å; P95-W104 HydrophobicContact CG-CG 4.05Å; L100-W104 PolarHBondContact O-N 3.01Å; L101-W104 HydrophobicContact CD2-CE3 4.46Å; L101-W104 PolarHBondContact O-N 3.3Å; S102-W104 VanDerWaalsContact C-N 3.32Å; S102-W104 PolarHBondContact O-N 3.13Å; W104-F107 PolarHBondContact O-N 3.28Å; W104-I108 HydrophobicContact CD2-CD1 3.6Å; W104-I108 HydrophobicContact CE3-CD1 4.21Å; W104-I108 HydrophobicContact CG-CD1 4Å; W104-I108 HydrophobicContact CH2-CD1 4.17Å; W104-I108 HydrophobicContact CZ2-CD1 3.54Å; W104-I108 HydrophobicContact CZ3-CD1 4.47Å; W104-I108 WeakPolarHBondContact O-CD1 3.32Å; W104-I108 WeakPolarHBondContact O-CG1 3.24Å; W104-I108 PolarHBondContact O-N 3.15Å; W104-I108 VanDerWaalsContact O-N 3.11Å; W104-F139 AromaticContact CH2-CE2 3.68Å; W104-F139 HydrophobicContact CH2-CE2 3.68Å; W104-F139 HydrophobicContact CH2-CZ 4.23Å; W104-F139 HydrophobicContact CZ2-CE2 4.15Å; W104-F139 HydrophobicContact CZ3-CE2 4.16Å; W104-F139 HydrophobicContact CZ3-CZ 4.28Å; W104-Y142 HydrophobicContact CH2-CE1 4.23Å
105Y97.3Very high95.3Very high14 Ų1439.2 Ų39.26%0.05522%0.223CC..Hα-helixtrans-60.9-48176.9171.7-97.6000111.9L101 S102 F107 I108 A109 F139 F140 A143 L147 F155 N160 N163L101-Y105 WeakPolarHBondContact O-CB 3.49Å; L101-Y105 PolarHBondContact O-N 3.14Å; S102-Y105 PolarHBondContact O-N 3.28Å; Y105-F107 VanDerWaalsContact C-N 3.29Å; Y105-F107 PolarHBondContact O-N 3.03Å; Y105-I108 PolarHBondContact O-N 3.28Å; Y105-A109 HydrophobicContact CD1-CB 4.41Å; Y105-A109 HydrophobicContact CE1-CB 3.99Å; Y105-A109 HydrophobicContact CE2-CB 4.26Å; Y105-A109 WeakPolarHBondContact O-CB 3.36Å; Y105-A109 PolarHBondContact O-N 2.88Å; Y105-F139 HydrophobicContact CD2-CE1 4.13Å; Y105-F139 HydrophobicContact CD2-CZ 4.25Å; Y105-F139 HydrophobicContact CE2-CE1 4.28Å; Y105-F140 HydrophobicContact CE2-CD1 4.08Å; Y105-F140 HydrophobicContact CE2-CE1 4.21Å; Y105-A143 HydrophobicContact CD2-CB 3.87Å; Y105-A143 HydrophobicContact CE2-CB 3.74Å; Y105-L147 HydrophobicContact CD1-CD1 4.21Å; Y105-L147 HydrophobicContact CD2-CD1 3.29Å; Y105-L147 HydrophobicContact CE2-CD1 3.95Å; Y105-L147 HydrophobicContact CG-CD1 3.42Å; Y105-L147 VanDerWaalsContact CG-CD1 3.42Å; Y105-F155 HydrophobicContact CD1-CD2 4.24Å; Y105-F155 HydrophobicContact CD1-CE2 4.24Å; Y105-F155 HydrophobicContact CD2-CE2 4.41Å; Y105-F155 HydrophobicContact CE1-CD2 4.13Å; Y105-F155 AromaticContact CE1-CE2 3.83Å; Y105-F155 HydrophobicContact CE1-CE2 3.83Å; Y105-F155 AromaticContact CE2-CE2 3.98Å; Y105-F155 HydrophobicContact CE2-CE2 3.98Å; Y105-F155 AromaticContact CZ-CE2 3.68Å; Y105-N160 WeakPolarHBondContact CE2-OD1 3.45Å; Y105-N160 WeakPolarHBondContact OH-CB 3.45Å; Y105-N160 PolarHBondContact OH-OD1 2.93Å; Y105-N163 PolarHBondContact OH-ND2 3.2Å
106D96.4Very high95.5Very high95 Ų9539.4 Ų39.451%0.50822%0.221SC..Hα-helixtrans-61.2-40.7-176.9-77.1-18.7000111.8S102 S110S102-D106 WeakPolarHBondContact O-CB 3.33Å; S102-D106 PolarHBondContact O-N 3.43Å; D106-S110 VanDerWaalsContact O-CB 3.3Å; D106-S110 WeakPolarHBondContact O-CB 3.36Å; D106-S110 PolarHBondContact O-N 3.27Å
107F97.3Very high95.9Very high9 Ų935.9 Ų35.94%0.03919%0.192CC..Hα-helixtrans-59.4-55.3173.3-179.4-93000111.1S32 Y34 E35 M86 V90 S103 W104 Y105 A109 S110 R111S32-F107 WeakPolarHBondContact OG-CD2 3.3Å; Y34-F107 HydrophobicContact CD2-CB 3.87Å; Y34-F107 AromaticContact CD2-CD1 3.82Å; Y34-F107 HydrophobicContact CD2-CD1 3.82Å; Y34-F107 HydrophobicContact CD2-CD2 4.01Å; Y34-F107 HydrophobicContact CD2-CE1 4.37Å; Y34-F107 AromaticContact CD2-CG 3.61Å; Y34-F107 HydrophobicContact CD2-CG 3.61Å; Y34-F107 HydrophobicContact CE2-CB 4.1Å; Y34-F107 HydrophobicContact CE2-CG 4.32Å; Y34-F107 HydrophobicContact CG-CD1 4.23Å; Y34-F107 HydrophobicContact CG-CE1 4.38Å; Y34-F107 HydrophobicContact CG-CG 4.38Å; E35-F107 HydrophobicContact CG-CE2 3.72Å; E35-F107 HydrophobicContact CG-CZ 3.9Å; M86-F107 HydrophobicContact CE-CD1 4.12Å; M86-F107 HydrophobicContact CE-CE1 3.81Å; M86-F107 HydrophobicContact SD-CE1 3.82Å; V90-F107 HydrophobicContact CG1-CD1 3.73Å; V90-F107 HydrophobicContact CG1-CE1 3.9Å; V90-F107 HydrophobicContact CG2-CE1 4Å; S103-F107 WeakPolarHBondContact O-CB 3.15Å; S103-F107 PolarHBondContact O-N 3.3Å; S103-F107 VanDerWaalsContact O-N 3.11Å; W104-F107 PolarHBondContact O-N 3.28Å; Y105-F107 VanDerWaalsContact C-N 3.29Å; Y105-F107 PolarHBondContact O-N 3.03Å; F107-A109 PolarHBondContact O-N 3.27Å; F107-S110 WeakPolarHBondContact O-CB 3.4Å; F107-S110 PolarHBondContact O-N 2.67Å; F107-R111 HydrophobicContact CD1-CG 4.39Å; F107-R111 HydrophobicContact CE1-CG 4Å; F107-R111 HydrophobicContact CE2-CG 4.42Å; F107-R111 VanDerWaalsContact CE2-CZ 3.44Å; F107-R111 VanDerWaalsContact CE2-NH2 3.31Å; F107-R111 HydrophobicContact CZ-CG 4.03Å; F107-R111 WeakPolarHBondContact O-CG 3.5Å; F107-R111 PolarHBondContact O-N 3.47Å; F107-R111 VanDerWaalsContact O-N 3.08Å
108I98.1Very high96.2Very high0 Ų030.4 Ų30.40%017%0.167CC..Hα-helixtrans-61.5-47.1-177.8-65.2161.3000111.2M86 V90 I91 W104 Y105 S110 R111 I112 F139M86-I108 HydrophobicContact CE-CB 4.29Å; M86-I108 HydrophobicContact CE-CG1 4.04Å; M86-I108 HydrophobicContact CE-CG2 4.29Å; V90-I108 HydrophobicContact CG1-CD1 4.07Å; V90-I108 HydrophobicContact CG1-CG1 3.68Å; I91-I108 HydrophobicContact CD1-CG2 4.11Å; I91-I108 HydrophobicContact CG1-CD1 3.73Å; I91-I108 HydrophobicContact CG1-CG1 4.04Å; I91-I108 HydrophobicContact CG1-CG2 4.03Å; W104-I108 HydrophobicContact CD2-CD1 3.6Å; W104-I108 HydrophobicContact CE3-CD1 4.21Å; W104-I108 HydrophobicContact CG-CD1 4Å; W104-I108 HydrophobicContact CH2-CD1 4.17Å; W104-I108 HydrophobicContact CZ2-CD1 3.54Å; W104-I108 HydrophobicContact CZ3-CD1 4.47Å; W104-I108 WeakPolarHBondContact O-CD1 3.32Å; W104-I108 WeakPolarHBondContact O-CG1 3.24Å; W104-I108 PolarHBondContact O-N 3.15Å; W104-I108 VanDerWaalsContact O-N 3.11Å; Y105-I108 PolarHBondContact O-N 3.28Å; I108-S110 VanDerWaalsContact C-N 3.29Å; I108-S110 PolarHBondContact O-N 2.86Å; I108-R111 PolarHBondContact O-N 3.12Å; I108-R111 VanDerWaalsContact O-N 3.12Å; I108-I112 HydrophobicContact CG2-CD1 3.53Å; I108-I112 HydrophobicContact CG2-CG1 4.07Å; I108-I112 WeakPolarHBondContact O-CB 3.35Å; I108-I112 WeakPolarHBondContact O-CG1 3.36Å; I108-I112 PolarHBondContact O-N 3.17Å; I108-F139 HydrophobicContact CB-CE1 4.01Å; I108-F139 HydrophobicContact CB-CZ 3.79Å; I108-F139 HydrophobicContact CD1-CE2 3.82Å; I108-F139 HydrophobicContact CD1-CZ 3.7Å; I108-F139 HydrophobicContact CG1-CZ 4.36Å; I108-F139 HydrophobicContact CG2-CD1 3.83Å; I108-F139 HydrophobicContact CG2-CD2 4.33Å; I108-F139 HydrophobicContact CG2-CE1 3.34Å; I108-F139 HydrophobicContact CG2-CE2 3.9Å; I108-F139 HydrophobicContact CG2-CG 4.3Å; I108-F139 HydrophobicContact CG2-CZ 3.38Å
109A98.1Very high96.5Very high2 Ų226.7 Ų26.72%0.01715%0.147CC..Hα-helixtrans-59.8-41.4-179.400000111.2Y105 F107 K113 F140Y105-A109 HydrophobicContact CD1-CB 4.41Å; Y105-A109 HydrophobicContact CE1-CB 3.99Å; Y105-A109 HydrophobicContact CE2-CB 4.26Å; Y105-A109 WeakPolarHBondContact O-CB 3.36Å; Y105-A109 PolarHBondContact O-N 2.88Å; F107-A109 PolarHBondContact O-N 3.27Å; A109-K113 WeakPolarHBondContact O-CB 3.47Å; A109-K113 WeakPolarHBondContact O-CD 3.45Å; A109-K113 WeakPolarHBondContact O-CG 3.25Å; A109-K113 PolarHBondContact O-N 2.95Å; A109-F140 HydrophobicContact CB-CE1 3.81Å; A109-F140 HydrophobicContact CB-CZ 4.31Å
110S97.4Very high96.8Very high19 Ų1923.9 Ų23.913%0.13312%0.124CC..Hα-helixtrans-59.8-49.8173.1175.70000111.4F58 D106 F107 I108 I112 K113 M114F58-S110 WeakPolarHBondContact CB-O 3.47Å; F58-S110 PolarHBondContact N-OG 3.04Å; D106-S110 VanDerWaalsContact O-CB 3.3Å; D106-S110 WeakPolarHBondContact O-CB 3.36Å; D106-S110 PolarHBondContact O-N 3.27Å; F107-S110 WeakPolarHBondContact O-CB 3.4Å; F107-S110 PolarHBondContact O-N 2.67Å; I108-S110 VanDerWaalsContact C-N 3.29Å; I108-S110 PolarHBondContact O-N 2.86Å; S110-I112 PolarHBondContact O-N 3.31Å; S110-K113 PolarHBondContact O-N 3.32Å; S110-M114 PolarHBondContact O-N 2.91Å; S110-M114 VanDerWaalsContact O-N 3.13Å
111R98Very high96.9Very high10 Ų1023.4 Ų23.44%0.03812%0.119CC..Hα-helixtrans-68.4-39.1-176.7-57.5-36.7-175.3-97.85112.5E35 V55 K56 M86 F107 I108 M114 I115E35-R111 VanDerWaalsContact CD-NH2 3.32Å; E35-R111 IonicContact OE1-CZ 2.78Å; E35-R111 IonicContact OE1-NE 3.27Å; E35-R111 IonicContact OE1-NH2 3.69Å; E35-R111 PolarHBondContact OE1-NH2 2.87Å; E35-R111 IonicContact OE2-NH2 3.07Å; E35-R111 PolarHBondContact OE2-NH2 3.43Å; V55-R111 HydrophobicContact CB-CG 4.13Å; V55-R111 HydrophobicContact CG1-CB 4.01Å; V55-R111 HydrophobicContact CG1-CG 3.78Å; V55-R111 PolarHBondContact O-NE 3.34Å; K56-R111 VanDerWaalsContact O-CD 3.27Å; K56-R111 WeakPolarHBondContact O-CD 3.48Å; M86-R111 HydrophobicContact CE-CB 3.64Å; M86-R111 HydrophobicContact CE-CG 3.94Å; M86-R111 HydrophobicContact SD-CB 3.84Å; M86-R111 HydrophobicContact SD-CG 3.9Å; F107-R111 HydrophobicContact CD1-CG 4.39Å; F107-R111 HydrophobicContact CE1-CG 4Å; F107-R111 HydrophobicContact CE2-CG 4.42Å; F107-R111 VanDerWaalsContact CE2-CZ 3.44Å; F107-R111 VanDerWaalsContact CE2-NH2 3.31Å; F107-R111 HydrophobicContact CZ-CG 4.03Å; F107-R111 WeakPolarHBondContact O-CG 3.5Å; F107-R111 PolarHBondContact O-N 3.47Å; F107-R111 VanDerWaalsContact O-N 3.08Å; I108-R111 PolarHBondContact O-N 3.12Å; I108-R111 VanDerWaalsContact O-N 3.12Å; R111-M114 PolarHBondContact O-N 3.01Å; R111-I115 WeakPolarHBondContact O-CG1 3.28Å; R111-I115 PolarHBondContact O-N 2.97Å
112I98.1Very high96.9Very high1 Ų124.5 Ų24.51%0.00513%0.125CC..Hα-helixtrans-61.3-45.4173.2-75177.4000111.4I108 S110 M114 I115 R116 C136 F139 F140I108-I112 HydrophobicContact CG2-CD1 3.53Å; I108-I112 HydrophobicContact CG2-CG1 4.07Å; I108-I112 WeakPolarHBondContact O-CB 3.35Å; I108-I112 WeakPolarHBondContact O-CG1 3.36Å; I108-I112 PolarHBondContact O-N 3.17Å; S110-I112 PolarHBondContact O-N 3.31Å; I112-M114 PolarHBondContact O-N 3.19Å; I112-I115 PolarHBondContact O-N 3.35Å; I112-R116 WeakPolarHBondContact O-CB 3.46Å; I112-R116 PolarHBondContact O-N 3.15Å; I112-C136 HydrophobicContact CG2-CB 3.58Å; I112-C136 VanDerWaalsContact CG2-SG 3.52Å; I112-F139 HydrophobicContact CD1-CB 4.19Å; I112-F139 HydrophobicContact CD1-CD1 3.51Å; I112-F139 HydrophobicContact CD1-CE1 4.19Å; I112-F139 HydrophobicContact CD1-CG 3.98Å; I112-F140 HydrophobicContact CB-CE2 4.29Å; I112-F140 HydrophobicContact CB-CZ 4.05Å; I112-F140 HydrophobicContact CD1-CZ 4.43Å; I112-F140 HydrophobicContact CG2-CD2 4.38Å; I112-F140 HydrophobicContact CG2-CE2 3.32Å; I112-F140 HydrophobicContact CG2-CZ 3.55Å
113K97.7Very high96.9Very high52 Ų5226.3 Ų26.323%0.22613%0.131CC..Hα-helixtrans-57.6-39.6176.9-76.2165.1-179170.80111.4F58 A109 S110 R117 N163F58-K113 HydrophobicContact CB-CB 3.99Å; F58-K113 HydrophobicContact CD1-CB 4.25Å; F58-K113 HydrophobicContact CD1-CD 4.17Å; F58-K113 HydrophobicContact CD2-CB 3.57Å; F58-K113 HydrophobicContact CE1-CD 4.35Å; F58-K113 HydrophobicContact CE2-CB 3.98Å; F58-K113 HydrophobicContact CG-CB 3.69Å; F58-K113 HydrophobicContact CG-CD 4.42Å; A109-K113 WeakPolarHBondContact O-CB 3.47Å; A109-K113 WeakPolarHBondContact O-CD 3.45Å; A109-K113 WeakPolarHBondContact O-CG 3.25Å; A109-K113 PolarHBondContact O-N 2.95Å; S110-K113 PolarHBondContact O-N 3.32Å; K113-R117 WeakPolarHBondContact O-CB 3.38Å; K113-R117 PolarHBondContact O-N 3.38Å; K113-N163 VanDerWaalsContact CE-CG 3.47Å; K113-N163 WeakPolarHBondContact CE-ND2 3.21Å; K113-N163 WeakPolarHBondContact CE-OD1 3.45Å
114M97.6Very high96.9Very high13 Ų1324.7 Ų24.76%0.06412%0.117CC..Hα-helixtrans-69.4-46.2178-160.657.8152.300112.2K56 E57 F58 S110 R111 I112 R116 R117 E118K56-M114 HydrophobicContact CB-CG 4.34Å; K56-M114 HydrophobicContact CD-CE 3.7Å; K56-M114 HydrophobicContact CD-CG 4Å; K56-M114 HydrophobicContact CG-CE 4.01Å; K56-M114 HydrophobicContact CG-CG 4.16Å; E57-M114 WeakPolarHBondContact O-CE 3.39Å; F58-M114 HydrophobicContact CB-CB 4.05Å; F58-M114 HydrophobicContact CB-SD 4.43Å; F58-M114 HydrophobicContact CD2-SD 4.19Å; S110-M114 PolarHBondContact O-N 2.91Å; S110-M114 VanDerWaalsContact O-N 3.13Å; R111-M114 PolarHBondContact O-N 3.01Å; I112-M114 PolarHBondContact O-N 3.19Å; M114-R116 PolarHBondContact O-N 3.11Å; M114-R117 PolarHBondContact O-N 3.1Å; M114-E118 WeakPolarHBondContact O-CG 3.32Å; M114-E118 PolarHBondContact O-N 3.14Å
115I98.3Very high96.8Very high0 Ų028.5 Ų28.50%014%0.137CC..Hα-helixtrans-56.4-50.2175.4-70.8169.5000110.5L79 T82 M83 R111 I112 R117 E118 I119 I132L79-I115 HydrophobicContact CD2-CB 4.49Å; L79-I115 HydrophobicContact CD2-CG1 4.37Å; L79-I115 HydrophobicContact CD2-CG2 4.26Å; T82-I115 HydrophobicContact CG2-CD1 3.9Å; T82-I115 HydrophobicContact CG2-CG1 4.38Å; M83-I115 HydrophobicContact SD-CD1 4.22Å; R111-I115 WeakPolarHBondContact O-CG1 3.28Å; R111-I115 PolarHBondContact O-N 2.97Å; I112-I115 PolarHBondContact O-N 3.35Å; I115-R117 VanDerWaalsContact C-N 3.34Å; I115-R117 PolarHBondContact O-N 2.94Å; I115-E118 PolarHBondContact O-N 2.87Å; I115-I119 HydrophobicContact CG2-CD1 3.94Å; I115-I119 WeakPolarHBondContact O-CG1 3.49Å; I115-I119 PolarHBondContact O-N 2.93Å; I115-I132 HydrophobicContact CG2-CG2 3.36Å
116R97.6Very high96.7Very high22 Ų2230 Ų308%0.08315%0.149CC..Hα-helixtrans-56.9-47.6176.4177.4-176.565.4-145.53.6111.2I112 M114 E118 I119 M120 L133 N163 C167 A170I112-R116 WeakPolarHBondContact O-CB 3.46Å; I112-R116 PolarHBondContact O-N 3.15Å; M114-R116 PolarHBondContact O-N 3.11Å; R116-E118 VanDerWaalsContact C-N 3.32Å; R116-E118 PolarHBondContact O-N 3.44Å; R116-I119 PolarHBondContact O-N 2.87Å; R116-M120 HydrophobicContact CG-CG 4.46Å; R116-M120 WeakPolarHBondContact O-CG 3.37Å; R116-M120 PolarHBondContact O-N 3.15Å; R116-L133 HydrophobicContact CB-CD2 4.02Å; R116-L133 HydrophobicContact CG-CD2 3.87Å; R116-N163 PolarHBondContact NH1-O 2.96Å; R116-C167 PolarHBondContact NH1-SG 2.92Å; R116-A170 HydrophobicContact CG-CB 4.03Å
117R96.1Very high96.6Very high66 Ų6630.5 Ų30.525%0.24915%0.148CC..Hα-helixtrans-57.6-46.7179.1179.5-172.9-75.3174.6-0.1111V59 K113 M114 I115 M120 Q121V59-R117 PolarHBondContact O-NH1 3.42Å; V59-R117 PolarHBondContact O-NH2 2.98Å; V59-R117 VanDerWaalsContact O-NH2 3.12Å; K113-R117 WeakPolarHBondContact O-CB 3.38Å; K113-R117 PolarHBondContact O-N 3.38Å; M114-R117 PolarHBondContact O-N 3.1Å; I115-R117 VanDerWaalsContact C-N 3.34Å; I115-R117 PolarHBondContact O-N 2.94Å; R117-M120 PolarHBondContact O-N 3.25Å; R117-Q121 WeakPolarHBondContact O-CB 3.18Å; R117-Q121 PolarHBondContact O-N 3.22Å
118E97.4Very high96.6Very high1 Ų132.8 Ų32.81%0.00516%0.161CC..Hα-helixtrans-69.4-34.1-177.1-71.5177.6130.900112.8K56 I73 R74 L79 M114 I115 R116 Q122K56-E118 WeakPolarHBondContact CD-OE1 3.32Å; K56-E118 IonicContact NZ-OE1 2.64Å; K56-E118 PolarHBondContact NZ-OE1 3Å; I73-E118 HydrophobicContact CG2-CB 4.33Å; I73-E118 HydrophobicContact CG2-CG 4.15Å; R74-E118 IonicContact CZ-OE2 3.02Å; R74-E118 PolarHBondContact N-OE1 3.4Å; R74-E118 VanDerWaalsContact N-OE1 3.11Å; R74-E118 IonicContact NE-OE1 3.33Å; R74-E118 IonicContact NE-OE2 2.68Å; R74-E118 PolarHBondContact NE-OE2 3.12Å; R74-E118 IonicContact NH2-OE2 3.74Å; R74-E118 PolarHBondContact NH2-OE2 3.25Å; L79-E118 HydrophobicContact CD2-CB 4.18Å; M114-E118 WeakPolarHBondContact O-CG 3.32Å; M114-E118 PolarHBondContact O-N 3.14Å; I115-E118 PolarHBondContact O-N 2.87Å; R116-E118 VanDerWaalsContact C-N 3.32Å; R116-E118 PolarHBondContact O-N 3.44Å; E118-Q122 WeakPolarHBondContact O-CB 3.49Å; E118-Q122 WeakPolarHBondContact O-CG 3.45Å; E118-Q122 PolarHBondContact O-N 2.99Å; E118-Q122 PolarHBondContact O-NE2 3.11Å
119I97.6Very high96.5Very high0 Ų032.8 Ų32.80%016%0.161CC..Hα-helixtrans-60.8-48.5171.1-71.8171.7000110.4L79 I115 R116 M123 I124 A129 I132 L133 L174L79-I119 HydrophobicContact CD1-CG1 3.86Å; I115-I119 HydrophobicContact CG2-CD1 3.94Å; I115-I119 WeakPolarHBondContact O-CG1 3.49Å; I115-I119 PolarHBondContact O-N 2.93Å; R116-I119 PolarHBondContact O-N 2.87Å; I119-M123 PolarHBondContact O-N 3.06Å; I119-I124 PolarHBondContact O-N 3.01Å; I119-A129 HydrophobicContact CD1-CB 4.42Å; I119-A129 HydrophobicContact CG2-CB 4Å; I119-I132 HydrophobicContact CD1-CB 4.05Å; I119-I132 HydrophobicContact CD1-CD1 4.5Å; I119-I132 HydrophobicContact CD1-CG2 3.69Å; I119-L133 HydrophobicContact CD1-CD2 4.11Å; I119-L133 HydrophobicContact CD1-CG 4.2Å; I119-L133 HydrophobicContact CG2-CD1 4.25Å; I119-L133 HydrophobicContact CG2-CG 4.46Å; I119-L174 HydrophobicContact CG2-CD1 3.85Å; I119-L174 HydrophobicContact CG2-CD2 4.48Å
120M96Very high96.5Very high33 Ų3332.8 Ų32.816%0.16316%0.161CC..Hα-helixtrans-71.2-40.1-177.9-63.5-46.3-64.700112.6R116 R117 Q122 M123 A170 E173 L174R116-M120 HydrophobicContact CG-CG 4.46Å; R116-M120 WeakPolarHBondContact O-CG 3.37Å; R116-M120 PolarHBondContact O-N 3.15Å; R117-M120 PolarHBondContact O-N 3.25Å; M120-Q122 PolarHBondContact O-N 2.84Å; M120-M123 HydrophobicContact CE-SD 4.1Å; M120-M123 WeakPolarHBondContact O-CG 3.5Å; M120-M123 PolarHBondContact O-N 3.17Å; M120-M123 VanDerWaalsContact O-N 3.09Å; M120-A170 HydrophobicContact CE-CB 4.34Å; M120-A170 HydrophobicContact CG-CB 3.86Å; M120-A170 HydrophobicContact SD-CB 3.57Å; M120-A170 VanDerWaalsContact SD-CB 3.57Å; M120-E173 HydrophobicContact CE-CB 3.84Å; M120-E173 HydrophobicContact CE-CG 3.73Å; M120-E173 WeakPolarHBondContact CE-OE2 3.24Å; M120-L174 HydrophobicContact CE-CD2 4.39Å; M120-L174 HydrophobicContact SD-CD2 4.03Å; M120-L174 HydrophobicContact SD-CG 4.14Å
121Q94.1Very high96.5Very high66 Ų6636.5 Ų36.531%0.30817%0.174SC..Hα-helixtrans-62.1-32.7178.5176.8172.75.800112.4L9 R117L9-Q121 HydrophobicContact CD2-CG 3.57Å; R117-Q121 WeakPolarHBondContact O-CB 3.18Å; R117-Q121 PolarHBondContact O-N 3.22Å
122Q95.4Very high96.5Very high23 Ų2336.2 Ų36.211%0.10717%0.174CC..THydrogen-bonded Turntrans-92.8-7.2176.4-67.9174.484.600113.2L9 G11 I73 R74 E118 M120 I124L9-Q122 WeakPolarHBondContact O-CG 3.45Å; G11-Q122 VanDerWaalsContact CA-OE1 3.31Å; I73-Q122 HydrophobicContact CG2-CG 3.95Å; I73-Q122 VanDerWaalsContact CG2-NE2 3.29Å; R74-Q122 PolarHBondContact O-NE2 3.3Å; R74-Q122 PolarHBondContact O-OE1 3.17Å; E118-Q122 WeakPolarHBondContact O-CB 3.49Å; E118-Q122 WeakPolarHBondContact O-CG 3.45Å; E118-Q122 PolarHBondContact O-N 2.99Å; E118-Q122 PolarHBondContact O-NE2 3.11Å; M120-Q122 PolarHBondContact O-N 2.84Å; Q122-I124 VanDerWaalsContact C-N 3.34Å; Q122-I124 HydrophobicContact CB-CD1 4.02Å; Q122-I124 HydrophobicContact CB-CG1 3.61Å; Q122-I124 PolarHBondContact O-N 3.16Å
123M95.1Very high96.5Very high68 Ų6836.2 Ų36.234%0.33517%0.174SC..THydrogen-bonded Turntrans4653.2-171.8-72.9-60.9-65.900113.2I119 M120 L125 E173 N177I119-M123 PolarHBondContact O-N 3.06Å; M120-M123 HydrophobicContact CE-SD 4.1Å; M120-M123 WeakPolarHBondContact O-CG 3.5Å; M120-M123 PolarHBondContact O-N 3.17Å; M120-M123 VanDerWaalsContact O-N 3.09Å; M123-L125 HydrophobicContact CE-CD2 4.31Å; M123-L125 WeakPolarHBondContact O-CG 3.31Å; M123-L125 PolarHBondContact O-N 3.35Å; M123-L125 VanDerWaalsContact O-N 3.15Å; M123-E173 HydrophobicContact CE-CG 4.42Å; M123-N177 HydrophobicContact CE-CB 4.13Å; M123-N177 WeakPolarHBondContact CE-ND2 3.35Å
124I94.9Very high96.4Very high25 Ų2534 Ų3413%0.12816%0.164CC..  trans-75.4106.1-177-53.6172000110.5M76 L79 I119 Q122 C126 A129M76-I124 HydrophobicContact CB-CD1 4.28Å; M76-I124 HydrophobicContact CG-CG2 4.23Å; M76-I124 HydrophobicContact SD-CD1 3.98Å; M76-I124 HydrophobicContact SD-CG2 3.72Å; L79-I124 HydrophobicContact CD1-CD1 3.74Å; I119-I124 PolarHBondContact O-N 3.01Å; Q122-I124 VanDerWaalsContact C-N 3.34Å; Q122-I124 HydrophobicContact CB-CD1 4.02Å; Q122-I124 HydrophobicContact CB-CG1 3.61Å; Q122-I124 PolarHBondContact O-N 3.16Å; I124-C126 VanDerWaalsContact C-N 3.33Å; I124-C126 HydrophobicContact CG2-CB 4.32Å; I124-C126 PolarHBondContact O-N 2.96Å; I124-A129 HydrophobicContact CB-CB 4.1Å; I124-A129 HydrophobicContact CG2-CB 3.97Å; I124-A129 VanDerWaalsContact O-CB 3.3Å; I124-A129 WeakPolarHBondContact O-CB 3.38Å
125L94.2Very high96.4Very high80 Ų8034.8 Ų34.842%0.41917%0.168SC..  trans-89.423.1-174.6-55.2178.5000114.9M123 L174 N177 A179M123-L125 HydrophobicContact CE-CD2 4.31Å; M123-L125 WeakPolarHBondContact O-CG 3.31Å; M123-L125 PolarHBondContact O-N 3.35Å; M123-L125 VanDerWaalsContact O-N 3.15Å; L125-L174 HydrophobicContact CD2-CD2 4.02Å; L125-N177 HydrophobicContact CD1-CB 4.38Å; L125-N177 WeakPolarHBondContact CD1-O 3.35Å; L125-N177 HydrophobicContact CD2-CB 3.7Å; L125-A179 HydrophobicContact CB-CB 4.44Å
126C94.7Very high96.3Very high44 Ų4434.8 Ų34.830%0.29717%0.168SC..SBendtrans-93.2161.3-176.878.10000113I124 D128 A129 V130I124-C126 VanDerWaalsContact C-N 3.33Å; I124-C126 HydrophobicContact CG2-CB 4.32Å; I124-C126 PolarHBondContact O-N 2.96Å; C126-D128 PolarHBondContact O-N 3.41Å; C126-A129 PolarHBondContact O-N 2.86Å; C126-A129 PolarHBondContact SG-N 3.22Å; C126-V130 PolarHBondContact O-N 3.26Å
127Q95.7Very high96.4Very high106 Ų10633.7 Ų33.750%0.49516%0.164SC..Hα-helixtrans-59.7-29.8179.7-159.5-166.931.600112.9V130 K131Q127-V130 WeakPolarHBondContact O-CB 3.47Å; Q127-V130 PolarHBondContact O-N 3.26Å; Q127-K131 VanDerWaalsContact O-CG 3.31Å; Q127-K131 WeakPolarHBondContact O-CG 3.4Å; Q127-K131 PolarHBondContact O-N 3.33Å
128D96.5Very high96.4Very high58 Ų5831.6 Ų31.631%0.3116%0.156SC..Hα-helixtrans-74.2-38.7-179.6-68.4-19000112.1M76 N80 C126 V130 K131 I132M76-D128 HydrophobicContact CE-CB 3.53Å; N80-D128 PolarHBondContact ND2-OD2 3.36Å; C126-D128 PolarHBondContact O-N 3.41Å; D128-V130 VanDerWaalsContact C-N 3.28Å; D128-V130 PolarHBondContact O-N 3.02Å; D128-K131 PolarHBondContact O-N 3.39Å; D128-K131 IonicContact OD1-NZ 3.66Å; D128-K131 PolarHBondContact OD1-NZ 3.44Å; D128-K131 VanDerWaalsContact OD1-NZ 3.12Å; D128-I132 WeakPolarHBondContact O-CG1 3.47Å; D128-I132 PolarHBondContact O-N 2.73Å
129A97.3Very high96.5Very high0 Ų031.6 Ų31.60%016%0.156CC..Hα-helixtrans-59.2-43172.100000111M76 I119 I124 C126 I132 L133 L174M76-A129 HydrophobicContact SD-CB 4.12Å; I119-A129 HydrophobicContact CD1-CB 4.42Å; I119-A129 HydrophobicContact CG2-CB 4Å; I124-A129 HydrophobicContact CB-CB 4.1Å; I124-A129 HydrophobicContact CG2-CB 3.97Å; I124-A129 VanDerWaalsContact O-CB 3.3Å; I124-A129 WeakPolarHBondContact O-CB 3.38Å; C126-A129 PolarHBondContact O-N 2.86Å; C126-A129 PolarHBondContact SG-N 3.22Å; A129-I132 PolarHBondContact O-N 3.42Å; A129-L133 WeakPolarHBondContact O-CG 3.19Å; A129-L133 PolarHBondContact O-N 3.4Å; A129-L174 HydrophobicContact CB-CD1 4.22Å
130V97.5Very high96.5Very high2 Ų231.6 Ų31.61%0.01216%0.156CC..Hα-helixtrans-57-54.2172.5169.80000110.7C126 Q127 D128 I132 L133 E134 L171 A179C126-V130 PolarHBondContact O-N 3.26Å; Q127-V130 WeakPolarHBondContact O-CB 3.47Å; Q127-V130 PolarHBondContact O-N 3.26Å; D128-V130 VanDerWaalsContact C-N 3.28Å; D128-V130 PolarHBondContact O-N 3.02Å; V130-I132 VanDerWaalsContact C-N 3.27Å; V130-I132 PolarHBondContact O-N 3.39Å; V130-L133 PolarHBondContact O-N 3.34Å; V130-L133 VanDerWaalsContact O-N 3.12Å; V130-E134 HydrophobicContact CG1-CG 4.19Å; V130-E134 WeakPolarHBondContact O-CB 3.3Å; V130-E134 VanDerWaalsContact O-CG 3.28Å; V130-E134 WeakPolarHBondContact O-CG 3.42Å; V130-E134 PolarHBondContact O-N 3.02Å; V130-L171 HydrophobicContact CB-CD1 4.47Å; V130-L171 HydrophobicContact CG1-CD1 3.92Å; V130-L171 HydrophobicContact CG2-CD1 4.5Å; V130-A179 HydrophobicContact CG2-CB 3.72Å
131K96.4Very high96.5Very high96 Ų9630 Ų3042%0.41715%0.148SC..Hα-helixtrans-56.6-38.9179.3-72167.7-166.71530112.9Q127 D128 M135Q127-K131 VanDerWaalsContact O-CG 3.31Å; Q127-K131 WeakPolarHBondContact O-CG 3.4Å; Q127-K131 PolarHBondContact O-N 3.33Å; D128-K131 PolarHBondContact O-N 3.39Å; D128-K131 IonicContact OD1-NZ 3.66Å; D128-K131 PolarHBondContact OD1-NZ 3.44Å; D128-K131 VanDerWaalsContact OD1-NZ 3.12Å; K131-M135 WeakPolarHBondContact O-CB 3.29Å; K131-M135 PolarHBondContact O-N 2.99Å
132I97.9Very high96.6Very high5 Ų526.9 Ų26.93%0.02613%0.133CC..Hα-helixtrans-64-50.5176-70.2178.1000110.4M76 L79 M83 I115 I119 D128 A129 V130 E134 M135 C136M76-I132 HydrophobicContact CE-CD1 3.64Å; L79-I132 HydrophobicContact CB-CD1 4.14Å; M83-I132 HydrophobicContact CB-CD1 4.15Å; M83-I132 HydrophobicContact CB-CG1 4.02Å; M83-I132 HydrophobicContact CG-CG1 4.04Å; M83-I132 HydrophobicContact CG-CG2 4.25Å; M83-I132 HydrophobicContact SD-CG2 4.09Å; I115-I132 HydrophobicContact CG2-CG2 3.36Å; I119-I132 HydrophobicContact CD1-CB 4.05Å; I119-I132 HydrophobicContact CD1-CD1 4.5Å; I119-I132 HydrophobicContact CD1-CG2 3.69Å; D128-I132 WeakPolarHBondContact O-CG1 3.47Å; D128-I132 PolarHBondContact O-N 2.73Å; A129-I132 PolarHBondContact O-N 3.42Å; V130-I132 VanDerWaalsContact C-N 3.27Å; V130-I132 PolarHBondContact O-N 3.39Å; I132-E134 VanDerWaalsContact C-N 3.33Å; I132-E134 PolarHBondContact O-N 3Å; I132-M135 WeakPolarHBondContact O-CB 3.37Å; I132-M135 PolarHBondContact O-N 3.17Å; I132-M135 VanDerWaalsContact O-N 3.15Å; I132-C136 PolarHBondContact O-N 2.86Å; I132-C136 PolarHBondContact O-SG 2.9Å
133L97.9Very high96.6Very high0 Ų025.8 Ų25.80%013%0.128CC..Hα-helixtrans-62.9-40.9179.5-69.8-174.9000112R116 I119 A129 V130 M135 C136 V137 A170 L171 L174R116-L133 HydrophobicContact CB-CD2 4.02Å; R116-L133 HydrophobicContact CG-CD2 3.87Å; I119-L133 HydrophobicContact CD1-CD2 4.11Å; I119-L133 HydrophobicContact CD1-CG 4.2Å; I119-L133 HydrophobicContact CG2-CD1 4.25Å; I119-L133 HydrophobicContact CG2-CG 4.46Å; A129-L133 WeakPolarHBondContact O-CG 3.19Å; A129-L133 PolarHBondContact O-N 3.4Å; V130-L133 PolarHBondContact O-N 3.34Å; V130-L133 VanDerWaalsContact O-N 3.12Å; L133-M135 VanDerWaalsContact C-N 3.3Å; L133-M135 PolarHBondContact O-N 3.15Å; L133-C136 WeakPolarHBondContact O-CB 2.96Å; L133-C136 PolarHBondContact O-N 2.64Å; L133-C136 VanDerWaalsContact O-N 3.12Å; L133-V137 WeakPolarHBondContact O-CG2 2.88Å; L133-V137 PolarHBondContact O-N 2.74Å; L133-A170 HydrophobicContact CD1-CB 3.93Å; L133-A170 HydrophobicContact CD2-CB 4.45Å; L133-L171 HydrophobicContact CB-CD1 4.42Å; L133-L171 HydrophobicContact CD1-CB 4.49Å; L133-L174 HydrophobicContact CD1-CD1 3.51Å; L133-L174 HydrophobicContact CD1-CG 4.16Å
134E97.2Very high96.5Very high7 Ų723.9 Ų23.93%0.03312%0.122CC..Hα-helixtrans-56.2-44.8173-73.9-167.4-175.500111.7V130 I132 C136 V137 R138 L171 S181 N183 F187V130-E134 HydrophobicContact CG1-CG 4.19Å; V130-E134 WeakPolarHBondContact O-CB 3.3Å; V130-E134 VanDerWaalsContact O-CG 3.28Å; V130-E134 WeakPolarHBondContact O-CG 3.42Å; V130-E134 PolarHBondContact O-N 3.02Å; I132-E134 VanDerWaalsContact C-N 3.33Å; I132-E134 PolarHBondContact O-N 3Å; E134-C136 VanDerWaalsContact C-N 3.33Å; E134-C136 PolarHBondContact O-N 2.87Å; E134-V137 PolarHBondContact O-N 2.82Å; E134-R138 WeakPolarHBondContact O-CG 3.4Å; E134-R138 PolarHBondContact O-N 3.06Å; E134-R138 IonicContact OE2-CZ 3.43Å; E134-R138 IonicContact OE2-NH1 3.71Å; E134-R138 PolarHBondContact OE2-NH1 3.02Å; E134-R138 IonicContact OE2-NH2 2.99Å; E134-R138 PolarHBondContact OE2-NH2 3.36Å; E134-L171 HydrophobicContact CG-CD1 4.3Å; E134-L171 HydrophobicContact CG-CD2 4.13Å; E134-S181 PolarHBondContact OE1-OG 2.74Å; E134-N183 WeakPolarHBondContact OE1-CB 3.5Å; E134-N183 PolarHBondContact OE1-ND2 2.9Å; E134-N183 PolarHBondContact OE2-ND2 2.99Å; E134-F187 HydrophobicContact CB-CE1 4.02Å; E134-F187 HydrophobicContact CB-CE2 3.82Å; E134-F187 HydrophobicContact CB-CZ 3.34Å; E134-F187 HydrophobicContact CG-CD2 4.01Å; E134-F187 HydrophobicContact CG-CE1 4.14Å; E134-F187 HydrophobicContact CG-CE2 3.27Å; E134-F187 HydrophobicContact CG-CZ 3.36Å
135M96.6Very high96.3Very high28 Ų2825.2 Ų25.214%0.13813%0.126CC..Hα-helixtrans-61.6-42175.5-176.258.773.400111.9M83 L87 K131 I132 L133 V137 R138 F139 F325 L329M83-M135 HydrophobicContact CE-CG 4.05Å; L87-M135 HydrophobicContact CD1-CE 4.01Å; L87-M135 HydrophobicContact CD1-CG 4.29Å; L87-M135 HydrophobicContact CD2-CE 4.05Å; L87-M135 HydrophobicContact CD2-CG 3.87Å; L87-M135 HydrophobicContact CD2-SD 3.74Å; K131-M135 WeakPolarHBondContact O-CB 3.29Å; K131-M135 PolarHBondContact O-N 2.99Å; I132-M135 WeakPolarHBondContact O-CB 3.37Å; I132-M135 PolarHBondContact O-N 3.17Å; I132-M135 VanDerWaalsContact O-N 3.15Å; L133-M135 VanDerWaalsContact C-N 3.3Å; L133-M135 PolarHBondContact O-N 3.15Å; M135-V137 PolarHBondContact O-N 2.9Å; M135-R138 PolarHBondContact O-N 3.2Å; M135-F139 PolarHBondContact O-N 2.85Å; M135-F325 HydrophobicContact SD-CE1 3.66Å; M135-F325 HydrophobicContact SD-CZ 3.63Å; M135-L329 HydrophobicContact CE-CD1 3.66Å; M135-L329 HydrophobicContact CE-CD2 4.12Å; M135-L329 HydrophobicContact SD-CD1 3.78Å; M135-L329 HydrophobicContact SD-CD2 4.01Å
136C97.5Very high96.1Very high0 Ų021.8 Ų21.80%011%0.107CC..Hα-helixtrans-61-45.5178.5-63.70000111.8I112 I132 L133 E134 F139 F140I112-C136 HydrophobicContact CG2-CB 3.58Å; I112-C136 VanDerWaalsContact CG2-SG 3.52Å; I132-C136 PolarHBondContact O-N 2.86Å; I132-C136 PolarHBondContact O-SG 2.9Å; L133-C136 WeakPolarHBondContact O-CB 2.96Å; L133-C136 PolarHBondContact O-N 2.64Å; L133-C136 VanDerWaalsContact O-N 3.12Å; E134-C136 VanDerWaalsContact C-N 3.33Å; E134-C136 PolarHBondContact O-N 2.87Å; C136-F139 PolarHBondContact O-N 3.05Å; C136-F140 WeakPolarHBondContact O-CD2 3.47Å; C136-F140 PolarHBondContact O-N 3.3Å; C136-F140 VanDerWaalsContact O-N 3.09Å
137V98.1Very high96.1Very high0 Ų019.8 Ų19.80%09%0.093CC..Hα-helixtrans-60.2-50.2175.5174.30000110.5L133 E134 M135 F139 F140 I141 I164 C167 L168 F187 Y190L133-V137 WeakPolarHBondContact O-CG2 2.88Å; L133-V137 PolarHBondContact O-N 2.74Å; E134-V137 PolarHBondContact O-N 2.82Å; M135-V137 PolarHBondContact O-N 2.9Å; V137-F139 VanDerWaalsContact C-N 3.28Å; V137-F139 PolarHBondContact O-N 2.98Å; V137-F140 PolarHBondContact O-N 3.14Å; V137-I141 HydrophobicContact CG1-CD1 3.67Å; V137-I141 HydrophobicContact CG1-CG1 4.32Å; V137-I141 WeakPolarHBondContact O-CG1 3.42Å; V137-I141 PolarHBondContact O-N 3.12Å; V137-I164 HydrophobicContact CG1-CG2 4.37Å; V137-C167 HydrophobicContact CG2-CB 3.42Å; V137-C167 VanDerWaalsContact CG2-CB 3.42Å; V137-L168 HydrophobicContact CG1-CD2 3.91Å; V137-L168 HydrophobicContact CG1-CG 4.23Å; V137-L168 HydrophobicContact CG2-CD2 4.1Å; V137-L168 HydrophobicContact CG2-CG 4.2Å; V137-F187 HydrophobicContact CB-CD1 4.05Å; V137-F187 HydrophobicContact CB-CE1 3.79Å; V137-F187 HydrophobicContact CG1-CD1 3.83Å; V137-F187 HydrophobicContact CG1-CE1 3.88Å; V137-F187 HydrophobicContact CG2-CD1 4.24Å; V137-F187 HydrophobicContact CG2-CE1 4.33Å; V137-Y190 HydrophobicContact CG1-CD2 4.16Å
138R97.5Very high95.7Very high22 Ų2217.1 Ų17.18%0.0839%0.086CC..Hα-helixtrans-59-39.8-179.2-68.8-175.5-171.8110.7-4111.7E134 M135 Y142 N183 E186 F187 L246 F325 L329E134-R138 WeakPolarHBondContact O-CG 3.4Å; E134-R138 PolarHBondContact O-N 3.06Å; E134-R138 IonicContact OE2-CZ 3.43Å; E134-R138 IonicContact OE2-NH1 3.71Å; E134-R138 PolarHBondContact OE2-NH1 3.02Å; E134-R138 IonicContact OE2-NH2 2.99Å; E134-R138 PolarHBondContact OE2-NH2 3.36Å; M135-R138 PolarHBondContact O-N 3.2Å; R138-Y142 WeakPolarHBondContact O-CB 3.49Å; R138-Y142 PolarHBondContact O-N 3.08Å; R138-N183 PolarHBondContact NH2-ND2 3.29Å; R138-E186 IonicContact CZ-OE1 3.5Å; R138-E186 IonicContact CZ-OE2 2.78Å; R138-E186 IonicContact NE-OE1 3.2Å; R138-E186 PolarHBondContact NE-OE1 3.47Å; R138-E186 IonicContact NE-OE2 2.64Å; R138-E186 IonicContact NH2-OE1 3.72Å; R138-E186 PolarHBondContact NH2-OE1 3.3Å; R138-E186 IonicContact NH2-OE2 3.94Å; R138-E186 PolarHBondContact NH2-OE2 3.31Å; R138-F187 HydrophobicContact CG-CE1 4.35Å; R138-F187 HydrophobicContact CG-CZ 4.37Å; R138-L246 HydrophobicContact CB-CD1 3.94Å; R138-L246 HydrophobicContact CG-CD1 3.71Å; R138-F325 HydrophobicContact CB-CE2 4.24Å; R138-F325 HydrophobicContact CB-CZ 4.27Å; R138-L329 HydrophobicContact CB-CD2 4.49Å
139F97.6Very high95.2Very high0 Ų017.2 Ų17.20%09%0.086CC..Hα-helixtrans-62.9-49175.3173.9-96.2000112.3I91 W104 Y105 I108 I112 M135 C136 V137 I141 Y142 A143 F325I91-F139 HydrophobicContact CD1-CD2 4.38Å; I91-F139 HydrophobicContact CG1-CD2 4.38Å; I91-F139 HydrophobicContact CG1-CE2 4.35Å; I91-F139 HydrophobicContact CG2-CD2 4.07Å; I91-F139 HydrophobicContact CG2-CE2 4.27Å; W104-F139 AromaticContact CH2-CE2 3.68Å; W104-F139 HydrophobicContact CH2-CE2 3.68Å; W104-F139 HydrophobicContact CH2-CZ 4.23Å; W104-F139 HydrophobicContact CZ2-CE2 4.15Å; W104-F139 HydrophobicContact CZ3-CE2 4.16Å; W104-F139 HydrophobicContact CZ3-CZ 4.28Å; Y105-F139 HydrophobicContact CD2-CE1 4.13Å; Y105-F139 HydrophobicContact CD2-CZ 4.25Å; Y105-F139 HydrophobicContact CE2-CE1 4.28Å; I108-F139 HydrophobicContact CB-CE1 4.01Å; I108-F139 HydrophobicContact CB-CZ 3.79Å; I108-F139 HydrophobicContact CD1-CE2 3.82Å; I108-F139 HydrophobicContact CD1-CZ 3.7Å; I108-F139 HydrophobicContact CG1-CZ 4.36Å; I108-F139 HydrophobicContact CG2-CD1 3.83Å; I108-F139 HydrophobicContact CG2-CD2 4.33Å; I108-F139 HydrophobicContact CG2-CE1 3.34Å; I108-F139 HydrophobicContact CG2-CE2 3.9Å; I108-F139 HydrophobicContact CG2-CG 4.3Å; I108-F139 HydrophobicContact CG2-CZ 3.38Å; I112-F139 HydrophobicContact CD1-CB 4.19Å; I112-F139 HydrophobicContact CD1-CD1 3.51Å; I112-F139 HydrophobicContact CD1-CE1 4.19Å; I112-F139 HydrophobicContact CD1-CG 3.98Å; M135-F139 PolarHBondContact O-N 2.85Å; C136-F139 PolarHBondContact O-N 3.05Å; V137-F139 VanDerWaalsContact C-N 3.28Å; V137-F139 PolarHBondContact O-N 2.98Å; F139-I141 VanDerWaalsContact C-N 3.3Å; F139-I141 PolarHBondContact O-N 3.46Å; F139-Y142 WeakPolarHBondContact O-CB 3.46Å; F139-Y142 PolarHBondContact O-N 3.12Å; F139-Y142 VanDerWaalsContact O-N 3.17Å; F139-A143 HydrophobicContact CE1-CB 4.41Å; F139-A143 WeakPolarHBondContact O-CB 3.33Å; F139-A143 PolarHBondContact O-N 2.98Å; F139-F325 HydrophobicContact CB-CE2 4.34Å; F139-F325 HydrophobicContact CB-CZ 3.98Å
140F98.1Very high94.9Very high0 Ų018.3 Ų18.30%09%0.092CC..Hα-helixtrans-66-33.2-179.3-72.3-54.8000112.8Y105 A109 I112 C136 V137 A143 S144 N160 N163 I164Y105-F140 HydrophobicContact CE2-CD1 4.08Å; Y105-F140 HydrophobicContact CE2-CE1 4.21Å; A109-F140 HydrophobicContact CB-CE1 3.81Å; A109-F140 HydrophobicContact CB-CZ 4.31Å; I112-F140 HydrophobicContact CB-CE2 4.29Å; I112-F140 HydrophobicContact CB-CZ 4.05Å; I112-F140 HydrophobicContact CD1-CZ 4.43Å; I112-F140 HydrophobicContact CG2-CD2 4.38Å; I112-F140 HydrophobicContact CG2-CE2 3.32Å; I112-F140 HydrophobicContact CG2-CZ 3.55Å; C136-F140 WeakPolarHBondContact O-CD2 3.47Å; C136-F140 PolarHBondContact O-N 3.3Å; C136-F140 VanDerWaalsContact O-N 3.09Å; V137-F140 PolarHBondContact O-N 3.14Å; F140-A143 PolarHBondContact O-N 2.76Å; F140-S144 PolarHBondContact O-N 3.03Å; F140-S144 VanDerWaalsContact O-N 3.13Å; F140-N160 WeakPolarHBondContact CD1-OD1 3.39Å; F140-N160 PolarHBondContact O-ND2 2.94Å; F140-N163 HydrophobicContact CD1-CB 3.96Å; F140-N163 HydrophobicContact CD2-CB 3.87Å; F140-N163 HydrophobicContact CE1-CB 3.82Å; F140-N163 HydrophobicContact CE2-CB 3.71Å; F140-N163 HydrophobicContact CG-CB 4Å; F140-N163 HydrophobicContact CZ-CB 3.7Å; F140-I164 HydrophobicContact CB-CD1 4.34Å; F140-I164 HydrophobicContact CB-CG1 3.45Å; F140-I164 VanDerWaalsContact CB-CG1 3.45Å
141I97.4Very high94.6Very high0 Ų022.6 Ų22.60%012%0.12CC..Hα-helixtrans-64.9-47.2171.5-63.2167.2000110.1V137 F139 A143 S144 I164 Y190 L246 C249 L250V137-I141 HydrophobicContact CG1-CD1 3.67Å; V137-I141 HydrophobicContact CG1-CG1 4.32Å; V137-I141 WeakPolarHBondContact O-CG1 3.42Å; V137-I141 PolarHBondContact O-N 3.12Å; F139-I141 VanDerWaalsContact C-N 3.3Å; F139-I141 PolarHBondContact O-N 3.46Å; I141-A143 VanDerWaalsContact C-N 3.31Å; I141-A143 PolarHBondContact O-N 3.44Å; I141-S144 WeakPolarHBondContact O-CB 3.43Å; I141-S144 PolarHBondContact O-N 2.96Å; I141-S144 PolarHBondContact O-OG 3.03Å; I141-I164 HydrophobicContact CG1-CD1 4.05Å; I141-I164 HydrophobicContact CG1-CG1 4.41Å; I141-I164 HydrophobicContact CG1-CG2 4.17Å; I141-Y190 HydrophobicContact CD1-CD1 4.06Å; I141-Y190 HydrophobicContact CD1-CD2 3.54Å; I141-Y190 HydrophobicContact CD1-CE1 4.42Å; I141-Y190 HydrophobicContact CD1-CE2 3.97Å; I141-Y190 HydrophobicContact CD1-CG 3.62Å; I141-L246 HydrophobicContact CB-CD2 4.1Å; I141-L246 HydrophobicContact CG2-CB 3.91Å; I141-L246 HydrophobicContact CG2-CD2 3.74Å; I141-L246 HydrophobicContact CG2-CG 4.38Å; I141-L246 WeakPolarHBondContact CG2-O 3.48Å; I141-C249 HydrophobicContact CG2-CB 3.84Å; I141-L250 HydrophobicContact CD1-CD1 3.96Å; I141-L250 HydrophobicContact CD1-CG 4.43Å; I141-L250 HydrophobicContact CG1-CD1 4.3Å; I141-L250 HydrophobicContact CG1-CD2 4.09Å; I141-L250 HydrophobicContact CG1-CG 4.28Å; I141-L250 HydrophobicContact CG2-CD1 4.46Å; I141-L250 HydrophobicContact CG2-CD2 4.27Å; I141-L250 HydrophobicContact CG2-CG 3.91Å
142Y95.7Very high94.2Very high0 Ų027.5 Ų27.50%014%0.144CC..Hα-helixtrans-55.6-47.3174.9170.6-101000112E94 W104 R138 F139 S144 Y145 R146 F245 P322 P323 F325 V328E94-Y142 PolarHBondContact OE2-OH 3.09Å; W104-Y142 HydrophobicContact CH2-CE1 4.23Å; R138-Y142 WeakPolarHBondContact O-CB 3.49Å; R138-Y142 PolarHBondContact O-N 3.08Å; F139-Y142 WeakPolarHBondContact O-CB 3.46Å; F139-Y142 PolarHBondContact O-N 3.12Å; F139-Y142 VanDerWaalsContact O-N 3.17Å; Y142-S144 PolarHBondContact O-N 3.17Å; Y142-Y145 PolarHBondContact O-N 3.38Å; Y142-Y145 VanDerWaalsContact O-N 3.14Å; Y142-R146 HydrophobicContact CD1-CB 4.17Å; Y142-R146 HydrophobicContact CE1-CB 3.69Å; Y142-R146 HydrophobicContact CE1-CG 3.75Å; Y142-R146 HydrophobicContact CE2-CB 4.3Å; Y142-R146 WeakPolarHBondContact O-CB 3.22Å; Y142-R146 PolarHBondContact O-N 3.46Å; Y142-R146 WeakPolarHBondContact OH-CD 3.4Å; Y142-F245 HydrophobicContact CD2-CE1 4Å; Y142-F245 HydrophobicContact CD2-CZ 4.45Å; Y142-P322 HydrophobicContact CE2-CB 4.49Å; Y142-P323 VanDerWaalsContact CE2-O 3.31Å; Y142-P323 WeakPolarHBondContact CE2-O 3.22Å; Y142-F325 HydrophobicContact CD1-CB 3.94Å; Y142-F325 AromaticContact CD1-CD2 3.88Å; Y142-F325 HydrophobicContact CD1-CD2 3.88Å; Y142-F325 HydrophobicContact CD1-CG 4.22Å; Y142-F325 HydrophobicContact CD2-CB 4.35Å; Y142-F325 HydrophobicContact CD2-CD2 4.05Å; Y142-F325 HydrophobicContact CE1-CB 3.86Å; Y142-F325 HydrophobicContact CE2-CB 4.28Å; Y142-F325 HydrophobicContact CG-CB 4.19Å; Y142-F325 AromaticContact CG-CD2 3.55Å; Y142-F325 HydrophobicContact CG-CD2 3.55Å; Y142-F325 HydrophobicContact CG-CE2 4.38Å; Y142-F325 HydrophobicContact CG-CG 4.28Å; Y142-V328 HydrophobicContact CD2-CG2 4.17Å; Y142-V328 HydrophobicContact CE2-CG2 4.37Å
143A95.2Very high93.8Very high0 Ų031.2 Ų31.20%018%0.183CC..Hα-helixtrans-58.1-35.2179.300000112.5Y105 F139 F140 I141 Y145 R146 L147Y105-A143 HydrophobicContact CD2-CB 3.87Å; Y105-A143 HydrophobicContact CE2-CB 3.74Å; F139-A143 HydrophobicContact CE1-CB 4.41Å; F139-A143 WeakPolarHBondContact O-CB 3.33Å; F139-A143 PolarHBondContact O-N 2.98Å; F140-A143 PolarHBondContact O-N 2.76Å; I141-A143 VanDerWaalsContact C-N 3.31Å; I141-A143 PolarHBondContact O-N 3.44Å; A143-Y145 VanDerWaalsContact C-N 3.25Å; A143-Y145 PolarHBondContact O-N 3Å; A143-R146 PolarHBondContact O-N 3.34Å; A143-L147 HydrophobicContact CB-CD1 3.86Å; A143-L147 VanDerWaalsContact O-CB 3.3Å; A143-L147 WeakPolarHBondContact O-CB 3.36Å; A143-L147 PolarHBondContact O-N 2.85Å
144S92.9Very high93.6Very high28 Ų2834.4 Ų34.420%0.19620%0.203CC..Hα-helixtrans-57.9-37.4177.8740000113F140 I141 Y142 S148F140-S144 PolarHBondContact O-N 3.03Å; F140-S144 VanDerWaalsContact O-N 3.13Å; I141-S144 WeakPolarHBondContact O-CB 3.43Å; I141-S144 PolarHBondContact O-N 2.96Å; I141-S144 PolarHBondContact O-OG 3.03Å; Y142-S144 PolarHBondContact O-N 3.17Å; S144-S148 WeakPolarHBondContact O-CB 3.44Å
145Y90.1Very high93.5Very high54 Ų5435.4 Ų35.421%0.21221%0.207CC..Hα-helixtrans-88.1-40.6176.6179.6-97.9000111.7Y142 A143 L147 S148 F245 C249 P322Y142-Y145 PolarHBondContact O-N 3.38Å; Y142-Y145 VanDerWaalsContact O-N 3.14Å; A143-Y145 VanDerWaalsContact C-N 3.25Å; A143-Y145 PolarHBondContact O-N 3Å; Y145-L147 VanDerWaalsContact C-N 3.32Å; Y145-L147 PolarHBondContact O-N 3.44Å; Y145-S148 PolarHBondContact O-N 3.41Å; Y145-S148 PolarHBondContact O-OG 3.27Å; Y145-F245 HydrophobicContact CD1-CE2 4.45Å; Y145-F245 HydrophobicContact CD1-CZ 4.01Å; Y145-F245 HydrophobicContact CE1-CZ 4.47Å; Y145-C249 VanDerWaalsContact CB-SG 3.54Å; Y145-P322 HydrophobicContact CD1-CB 3.69Å; Y145-P322 HydrophobicContact CD1-CG 3.88Å; Y145-P322 HydrophobicContact CE1-CB 3.46Å; Y145-P322 VanDerWaalsContact CE1-CB 3.46Å; Y145-P322 HydrophobicContact CE1-CG 3.66Å
146R91Very high93.4Very high8 Ų836.6 Ų36.63%0.0322%0.218CC..Hα-helixtrans-64.6-37.5-175.7178.858.2-178.687.60.2112.9E94 D98 L101 Y142 A143 I149 P322E94-R146 IonicContact OE1-CZ 2.85Å; E94-R146 IonicContact OE1-NE 3.7Å; E94-R146 PolarHBondContact OE1-NE 3.09Å; E94-R146 IonicContact OE1-NH2 2.64Å; E94-R146 PolarHBondContact OE1-NH2 2.84Å; E94-R146 IonicContact OE2-NE 3.05Å; D98-R146 IonicContact OD1-NH1 3.84Å; D98-R146 IonicContact OD1-NH2 3.9Å; L101-R146 VanDerWaalsContact CD1-CZ 3.47Å; L101-R146 VanDerWaalsContact CD2-NH2 3.33Å; Y142-R146 HydrophobicContact CD1-CB 4.17Å; Y142-R146 HydrophobicContact CE1-CB 3.69Å; Y142-R146 HydrophobicContact CE1-CG 3.75Å; Y142-R146 HydrophobicContact CE2-CB 4.3Å; Y142-R146 WeakPolarHBondContact O-CB 3.22Å; Y142-R146 PolarHBondContact O-N 3.46Å; Y142-R146 WeakPolarHBondContact OH-CD 3.4Å; A143-R146 PolarHBondContact O-N 3.34Å; R146-I149 WeakPolarHBondContact O-CG1 3.15Å; R146-P322 VanDerWaalsContact CD-CG 3.42Å
147L93Very high93.1Very high2 Ų241.1 Ų41.11%0.0124%0.239CC..SBendtrans-94.6-6.7-176.3-61.6161.4000112.7L101 Y105 A143 Y145 I149 L150 F155L101-L147 HydrophobicContact CB-CD2 3.77Å; Y105-L147 HydrophobicContact CD1-CD1 4.21Å; Y105-L147 HydrophobicContact CD2-CD1 3.29Å; Y105-L147 HydrophobicContact CE2-CD1 3.95Å; Y105-L147 HydrophobicContact CG-CD1 3.42Å; Y105-L147 VanDerWaalsContact CG-CD1 3.42Å; A143-L147 HydrophobicContact CB-CD1 3.86Å; A143-L147 VanDerWaalsContact O-CB 3.3Å; A143-L147 WeakPolarHBondContact O-CB 3.36Å; A143-L147 PolarHBondContact O-N 2.85Å; Y145-L147 VanDerWaalsContact C-N 3.32Å; Y145-L147 PolarHBondContact O-N 3.44Å; L147-I149 PolarHBondContact O-N 3.45Å; L147-I149 VanDerWaalsContact O-N 3.15Å; L147-L150 HydrophobicContact CB-CD1 4.23Å; L147-L150 HydrophobicContact CD2-CD1 3.58Å; L147-L150 HydrophobicContact CD2-CG 4.46Å; L147-L150 WeakPolarHBondContact O-CB 3.31Å; L147-L150 PolarHBondContact O-N 3.17Å; L147-F155 HydrophobicContact CB-CB 4.27Å; L147-F155 HydrophobicContact CB-CD1 3.74Å; L147-F155 HydrophobicContact CB-CD2 3.96Å; L147-F155 HydrophobicContact CB-CE1 3.93Å; L147-F155 HydrophobicContact CB-CE2 4.15Å; L147-F155 HydrophobicContact CB-CG 3.73Å; L147-F155 HydrophobicContact CB-CZ 4.12Å; L147-F155 HydrophobicContact CD1-CD2 3.64Å; L147-F155 HydrophobicContact CD1-CE2 3.47Å; L147-F155 VanDerWaalsContact CD1-CE2 3.47Å; L147-F155 HydrophobicContact CD1-CG 4.3Å; L147-F155 HydrophobicContact CD1-CZ 3.99Å; L147-F155 HydrophobicContact CG-CD2 4.39Å; L147-F155 HydrophobicContact CG-CE2 4.45Å
148S87.8Confident92.9Very high49 Ų4944.1 Ų44.134%0.34326%0.264SS..THydrogen-bonded Turntrans-67.6-9.9173.974.10000113S144 Y145 L150S144-S148 WeakPolarHBondContact O-CB 3.44Å; Y145-S148 PolarHBondContact O-N 3.41Å; Y145-S148 PolarHBondContact O-OG 3.27Å; S148-L150 VanDerWaalsContact C-N 3.3Å
149I86.3Confident92.8Very high61 Ų6148.4 Ų48.431%0.31329%0.288SS..THydrogen-bonded Turntrans-78-17.9172.873.2172.3000112.5D98 L101 R146 L147D98-I149 WeakPolarHBondContact OD1-CD1 3.35Å; L101-I149 HydrophobicContact CD1-CD1 4.39Å; R146-I149 WeakPolarHBondContact O-CG1 3.15Å; L147-I149 PolarHBondContact O-N 3.45Å; L147-I149 VanDerWaalsContact O-N 3.15Å
150L91.2Very high92.8Very high23 Ų2348.5 Ų48.512%0.1229%0.288CS..SBendtrans-72.7154.3-177.9-64.4178.8000110.7D98 L101 L147 S148 V154 F155D98-L150 HydrophobicContact CB-CD2 4.27Å; D98-L150 VanDerWaalsContact O-CD2 3.3Å; D98-L150 WeakPolarHBondContact O-CD2 3.35Å; L101-L150 HydrophobicContact CB-CD1 4.29Å; L101-L150 HydrophobicContact CB-CD2 4.44Å; L101-L150 HydrophobicContact CD1-CD2 4.12Å; L147-L150 HydrophobicContact CB-CD1 4.23Å; L147-L150 HydrophobicContact CD2-CD1 3.58Å; L147-L150 HydrophobicContact CD2-CG 4.46Å; L147-L150 WeakPolarHBondContact O-CB 3.31Å; L147-L150 PolarHBondContact O-N 3.17Å; S148-L150 VanDerWaalsContact C-N 3.3Å; L150-V154 HydrophobicContact CB-CB 4.4Å; L150-V154 HydrophobicContact CB-CG1 4.5Å; L150-V154 HydrophobicContact CD1-CG1 4.01Å; L150-F155 HydrophobicContact CD1-CB 4.4Å
151P90.2Very high92.7Very high92 Ų9248.8 Ų48.860%0.59729%0.291SS*.PPolyproline II helixtrans-57.4151173.6-23.634000112.8G153 V154P151-G153 PolarHBondContact O-N 3.02Å; P151-V154 HydrophobicContact CB-CG2 4.28Å; P151-V154 PolarHBondContact O-N 2.68Å
152E88.9Confident92.7Very high199 Ų19952.8 Ų52.893%0.9331%0.309SS*.THydrogen-bonded Turntrans-53.3138.9174.1-67.6-176.2-178.300111.3V154E152-V154 VanDerWaalsContact C-N 3.34Å; E152-V154 PolarHBondContact O-N 3.14Å
153G90.5Very high92.8Very high82 Ų8253.2 Ų53.285%0.84531%0.312SS*.THydrogen-bonded Turntrans88.8-16.9179.700000115.4P151P151-G153 PolarHBondContact O-N 3.02Å
154V92.8Very high92.9Very high68 Ų6853.3 Ų53.341%0.41231%0.312SS..THydrogen-bonded Turntrans-78.9-39.2176.9-1800000111.8L150 P151 E152L150-V154 HydrophobicContact CB-CB 4.4Å; L150-V154 HydrophobicContact CB-CG1 4.5Å; L150-V154 HydrophobicContact CD1-CG1 4.01Å; P151-V154 HydrophobicContact CB-CG2 4.28Å; P151-V154 PolarHBondContact O-N 2.68Å; E152-V154 VanDerWaalsContact C-N 3.34Å; E152-V154 PolarHBondContact O-N 3.14Å
155F94.1Very high93.2Very high28 Ų2855 Ų5512%0.12331%0.314CS..SBendtrans-122.6134.5179.4171.6-112.2000110.1Y105 L147 L150 E157 N160Y105-F155 HydrophobicContact CD1-CD2 4.24Å; Y105-F155 HydrophobicContact CD1-CE2 4.24Å; Y105-F155 HydrophobicContact CD2-CE2 4.41Å; Y105-F155 HydrophobicContact CE1-CD2 4.13Å; Y105-F155 AromaticContact CE1-CE2 3.83Å; Y105-F155 HydrophobicContact CE1-CE2 3.83Å; Y105-F155 AromaticContact CE2-CE2 3.98Å; Y105-F155 HydrophobicContact CE2-CE2 3.98Å; Y105-F155 AromaticContact CZ-CE2 3.68Å; L147-F155 HydrophobicContact CB-CB 4.27Å; L147-F155 HydrophobicContact CB-CD1 3.74Å; L147-F155 HydrophobicContact CB-CD2 3.96Å; L147-F155 HydrophobicContact CB-CE1 3.93Å; L147-F155 HydrophobicContact CB-CE2 4.15Å; L147-F155 HydrophobicContact CB-CG 3.73Å; L147-F155 HydrophobicContact CB-CZ 4.12Å; L147-F155 HydrophobicContact CD1-CD2 3.64Å; L147-F155 HydrophobicContact CD1-CE2 3.47Å; L147-F155 VanDerWaalsContact CD1-CE2 3.47Å; L147-F155 HydrophobicContact CD1-CG 4.3Å; L147-F155 HydrophobicContact CD1-CZ 3.99Å; L147-F155 HydrophobicContact CG-CD2 4.39Å; L147-F155 HydrophobicContact CG-CE2 4.45Å; L150-F155 HydrophobicContact CD1-CB 4.4Å; F155-E157 HydrophobicContact CD1-CG 3.97Å; F155-E157 HydrophobicContact CE1-CB 4.41Å; F155-E157 HydrophobicContact CE1-CG 3.79Å; F155-N160 HydrophobicContact CE1-CB 4.39Å; F155-N160 HydrophobicContact CE2-CB 3.73Å; F155-N160 HydrophobicContact CZ-CB 3.38Å
156S94.6Very high93.5Very high52 Ų5255.5 Ų55.536%0.36432%0.32SS..  trans-99.3101.4175.9-179.20000110.5A158 L159 N160S156-A158 PolarHBondContact O-N 3Å; S156-L159 PolarHBondContact O-N 3.32Å; S156-L159 WeakPolarHBondContact OG-CG 3.35Å; S156-L159 PolarHBondContact OG-N 3.5Å; S156-N160 PolarHBondContact O-N 3.09Å
157E92.9Very high93.9Very high96 Ų9655.1 Ų55.145%0.44932%0.319SS..Hα-helixtrans-57-38.8174.9-65.6-175178.200111.9F155 N160 A161F155-E157 HydrophobicContact CD1-CG 3.97Å; F155-E157 HydrophobicContact CE1-CB 4.41Å; F155-E157 HydrophobicContact CE1-CG 3.79Å; E157-N160 PolarHBondContact O-N 3.4Å; E157-A161 WeakPolarHBondContact O-CB 3.19Å; E157-A161 PolarHBondContact O-N 3.32Å
158A93.6Very high94.1Very high62 Ų6255.8 Ų55.851%0.51232%0.322SS..Hα-helixtrans-63.6-45.6178.100000112.4S156 N160 A161 E162S156-A158 PolarHBondContact O-N 3Å; A158-N160 VanDerWaalsContact C-N 3.3Å; A158-N160 PolarHBondContact O-N 3.48Å; A158-A161 PolarHBondContact O-N 3.2Å; A158-E162 PolarHBondContact O-N 3.2Å
159L95.6Very high94.5Very high113 Ų11358.2 Ų58.259%0.59233%0.331SS*.Hα-helixtrans-67.2-33.4176.1-69.2178.5000111.9S156 N163S156-L159 PolarHBondContact O-N 3.32Å; S156-L159 WeakPolarHBondContact OG-CG 3.35Å; S156-L159 PolarHBondContact OG-N 3.5Å; L159-N163 VanDerWaalsContact O-CG 3.29Å; L159-N163 PolarHBondContact O-N 3.42Å; L159-N163 VanDerWaalsContact O-N 3.12Å; L159-N163 PolarHBondContact O-ND2 2.98Å
160N97Very high95.1Very high1 Ų155.5 Ų55.51%0.00532%0.318CS..Hα-helixtrans-68.5-44.5174.4-173.266.5000111.9Y105 F140 F155 S156 E157 A158 E162 N163 I164Y105-N160 WeakPolarHBondContact CE2-OD1 3.45Å; Y105-N160 WeakPolarHBondContact OH-CB 3.45Å; Y105-N160 PolarHBondContact OH-OD1 2.93Å; F140-N160 WeakPolarHBondContact CD1-OD1 3.39Å; F140-N160 PolarHBondContact O-ND2 2.94Å; F155-N160 HydrophobicContact CE1-CB 4.39Å; F155-N160 HydrophobicContact CE2-CB 3.73Å; F155-N160 HydrophobicContact CZ-CB 3.38Å; S156-N160 PolarHBondContact O-N 3.09Å; E157-N160 PolarHBondContact O-N 3.4Å; A158-N160 VanDerWaalsContact C-N 3.3Å; A158-N160 PolarHBondContact O-N 3.48Å; N160-E162 PolarHBondContact O-N 2.88Å; N160-N163 WeakPolarHBondContact O-CA 3.25Å; N160-N163 WeakPolarHBondContact O-CB 3.45Å; N160-N163 PolarHBondContact O-N 3.27Å; N160-I164 WeakPolarHBondContact O-CG1 3.4Å; N160-I164 PolarHBondContact O-N 3.12Å
161A96.1Very high95.3Very high6 Ų654.8 Ų54.85%0.0531%0.314CS..Hα-helixtrans-56.7-40.9174.200000111.3E157 A158 N163 I164 R165 L194E157-A161 WeakPolarHBondContact O-CB 3.19Å; E157-A161 PolarHBondContact O-N 3.32Å; A158-A161 PolarHBondContact O-N 3.2Å; A161-N163 VanDerWaalsContact C-N 3.33Å; A161-N163 PolarHBondContact O-N 3.5Å; A161-I164 WeakPolarHBondContact O-CB 3.26Å; A161-I164 PolarHBondContact O-N 2.92Å; A161-R165 WeakPolarHBondContact O-CG 3.49Å; A161-R165 PolarHBondContact O-N 2.96Å; A161-L194 HydrophobicContact CB-CD1 4.27Å
162E97Very high95.5Very high84 Ų8452.8 Ų52.839%0.39330%0.297SS..Hα-helixtrans-62.7-38.4174-17557-163.100112.8A158 N160 I164 R165 L166A158-E162 PolarHBondContact O-N 3.2Å; N160-E162 PolarHBondContact O-N 2.88Å; E162-I164 VanDerWaalsContact C-N 3.31Å; E162-I164 PolarHBondContact O-N 3.05Å; E162-R165 PolarHBondContact O-N 3.46Å; E162-R165 IonicContact OE2-NH1 3.78Å; E162-L166 HydrophobicContact CG-CD1 4.11Å; E162-L166 HydrophobicContact CG-CG 4.45Å; E162-L166 WeakPolarHBondContact O-CB 3.36Å; E162-L166 VanDerWaalsContact O-CG 3.32Å; E162-L166 WeakPolarHBondContact O-CG 3.42Å; E162-L166 PolarHBondContact O-N 2.98Å
163N97.9Very high95.9Very high9 Ų947.7 Ų47.75%0.04827%0.273CS..Hα-helixtrans-64.1-36.9174.2-65.5-39.9000112.5Y105 K113 R116 F140 L159 N160 A161 C167Y105-N163 PolarHBondContact OH-ND2 3.2Å; K113-N163 VanDerWaalsContact CE-CG 3.47Å; K113-N163 WeakPolarHBondContact CE-ND2 3.21Å; K113-N163 WeakPolarHBondContact CE-OD1 3.45Å; R116-N163 PolarHBondContact NH1-O 2.96Å; F140-N163 HydrophobicContact CD1-CB 3.96Å; F140-N163 HydrophobicContact CD2-CB 3.87Å; F140-N163 HydrophobicContact CE1-CB 3.82Å; F140-N163 HydrophobicContact CE2-CB 3.71Å; F140-N163 HydrophobicContact CG-CB 4Å; F140-N163 HydrophobicContact CZ-CB 3.7Å; L159-N163 VanDerWaalsContact O-CG 3.29Å; L159-N163 PolarHBondContact O-N 3.42Å; L159-N163 VanDerWaalsContact O-N 3.12Å; L159-N163 PolarHBondContact O-ND2 2.98Å; N160-N163 WeakPolarHBondContact O-CA 3.25Å; N160-N163 WeakPolarHBondContact O-CB 3.45Å; N160-N163 PolarHBondContact O-N 3.27Å; A161-N163 VanDerWaalsContact C-N 3.33Å; A161-N163 PolarHBondContact O-N 3.5Å; N163-C167 WeakPolarHBondContact O-CB 3.45Å; N163-C167 PolarHBondContact O-N 3.4Å; N163-C167 VanDerWaalsContact O-N 3.09Å; N163-C167 PolarHBondContact O-SG 3.33Å
164I98.2Very high96.2Very high2 Ų243.8 Ų43.81%0.0123%0.232CC..Hα-helixtrans-62.1-50.5173.1-57.4169.2000109.5V137 F140 I141 N160 A161 E162 L166 C167 L168 L194 L250V137-I164 HydrophobicContact CG1-CG2 4.37Å; F140-I164 HydrophobicContact CB-CD1 4.34Å; F140-I164 HydrophobicContact CB-CG1 3.45Å; F140-I164 VanDerWaalsContact CB-CG1 3.45Å; I141-I164 HydrophobicContact CG1-CD1 4.05Å; I141-I164 HydrophobicContact CG1-CG1 4.41Å; I141-I164 HydrophobicContact CG1-CG2 4.17Å; N160-I164 WeakPolarHBondContact O-CG1 3.4Å; N160-I164 PolarHBondContact O-N 3.12Å; A161-I164 WeakPolarHBondContact O-CB 3.26Å; A161-I164 PolarHBondContact O-N 2.92Å; E162-I164 VanDerWaalsContact C-N 3.31Å; E162-I164 PolarHBondContact O-N 3.05Å; I164-L166 PolarHBondContact O-N 3.42Å; I164-C167 PolarHBondContact O-N 2.96Å; I164-L168 HydrophobicContact CG2-CD1 3.79Å; I164-L168 HydrophobicContact CG2-CG 4.3Å; I164-L168 WeakPolarHBondContact O-CG 3.39Å; I164-L168 PolarHBondContact O-N 3.06Å; I164-L194 HydrophobicContact CB-CD2 3.95Å; I164-L194 HydrophobicContact CD1-CD1 4.16Å; I164-L194 HydrophobicContact CG2-CD2 3.71Å; I164-L250 HydrophobicContact CD1-CD2 4.31Å
165R97.5Very high96.2Very high64 Ų6441.3 Ų41.324%0.24222%0.218CC..Hα-helixtrans-55.9-50.4178.9-68.6-172.1-167.790.35.4111.9A161 E162 C167 L168 L169 L194 D195A161-R165 WeakPolarHBondContact O-CG 3.49Å; A161-R165 PolarHBondContact O-N 2.96Å; E162-R165 PolarHBondContact O-N 3.46Å; E162-R165 IonicContact OE2-NH1 3.78Å; R165-C167 VanDerWaalsContact C-N 3.31Å; R165-C167 PolarHBondContact O-N 3.41Å; R165-L168 PolarHBondContact O-N 3.5Å; R165-L168 VanDerWaalsContact O-N 3.17Å; R165-L169 WeakPolarHBondContact O-CB 3.33Å; R165-L169 WeakPolarHBondContact O-CG 3.34Å; R165-L169 PolarHBondContact O-N 3.17Å; R165-L194 HydrophobicContact CG-CD2 3.45Å; R165-L194 VanDerWaalsContact CG-CD2 3.45Å; R165-D195 IonicContact CZ-OD1 3.72Å; R165-D195 IonicContact CZ-OD2 3.8Å; R165-D195 IonicContact NE-OD1 3.11Å; R165-D195 PolarHBondContact NE-OD1 3.43Å; R165-D195 VanDerWaalsContact NE-OD1 3.14Å; R165-D195 IonicContact NE-OD2 3.34Å; R165-D195 PolarHBondContact NE-OD2 2.91Å; R165-D195 IonicContact NH2-OD1 3.02Å; R165-D195 PolarHBondContact NH2-OD1 3.32Å
166L98Very high96.1Very high65 Ų6545.1 Ų45.134%0.3424%0.236SC..Hα-helixtrans-62.2-36.1179.8-69.2170.9000112.8E162 I164 A170E162-L166 HydrophobicContact CG-CD1 4.11Å; E162-L166 HydrophobicContact CG-CG 4.45Å; E162-L166 WeakPolarHBondContact O-CB 3.36Å; E162-L166 VanDerWaalsContact O-CG 3.32Å; E162-L166 WeakPolarHBondContact O-CG 3.42Å; E162-L166 PolarHBondContact O-N 2.98Å; I164-L166 PolarHBondContact O-N 3.42Å; L166-A170 WeakPolarHBondContact O-CB 3.4Å; L166-A170 PolarHBondContact O-N 3.09Å; L166-A170 VanDerWaalsContact O-N 3.11Å
167C98Very high96.1Very high0 Ų046.8 Ų46.80%024%0.241CC..Hα-helixtrans-70.4-39.4174.1-78.60000112.7R116 V137 N163 I164 R165 A170 L171R116-C167 PolarHBondContact NH1-SG 2.92Å; V137-C167 HydrophobicContact CG2-CB 3.42Å; V137-C167 VanDerWaalsContact CG2-CB 3.42Å; N163-C167 WeakPolarHBondContact O-CB 3.45Å; N163-C167 PolarHBondContact O-N 3.4Å; N163-C167 VanDerWaalsContact O-N 3.09Å; N163-C167 PolarHBondContact O-SG 3.33Å; I164-C167 PolarHBondContact O-N 2.96Å; R165-C167 VanDerWaalsContact C-N 3.31Å; R165-C167 PolarHBondContact O-N 3.41Å; C167-A170 PolarHBondContact O-N 3.41Å; C167-L171 PolarHBondContact O-N 2.89Å
168L97.7Very high96.1Very high16 Ų1645.2 Ų45.28%0.08425%0.25CS..Hα-helixtrans-65.6-42.7176.5-73.7169000111.7V137 I164 R165 L171 E172 F187 A191 L194V137-L168 HydrophobicContact CG1-CD2 3.91Å; V137-L168 HydrophobicContact CG1-CG 4.23Å; V137-L168 HydrophobicContact CG2-CD2 4.1Å; V137-L168 HydrophobicContact CG2-CG 4.2Å; I164-L168 HydrophobicContact CG2-CD1 3.79Å; I164-L168 HydrophobicContact CG2-CG 4.3Å; I164-L168 WeakPolarHBondContact O-CG 3.39Å; I164-L168 PolarHBondContact O-N 3.06Å; R165-L168 PolarHBondContact O-N 3.5Å; R165-L168 VanDerWaalsContact O-N 3.17Å; L168-L171 PolarHBondContact O-N 2.62Å; L168-E172 WeakPolarHBondContact O-CB 3.41Å; L168-E172 PolarHBondContact O-N 2.74Å; L168-F187 HydrophobicContact CD2-CB 4.01Å; L168-F187 HydrophobicContact CD2-CD1 4.11Å; L168-A191 HydrophobicContact CD1-CB 3.92Å; L168-L194 HydrophobicContact CD1-CD2 4.25Å
169L96.8Very high96.2Very high99 Ų9942.6 Ų42.652%0.51823%0.229SC..Hα-helixtrans-60.9-45.2174.7-72.3171.8000111.4R165 L171 E172 E173R165-L169 WeakPolarHBondContact O-CB 3.33Å; R165-L169 WeakPolarHBondContact O-CG 3.34Å; R165-L169 PolarHBondContact O-N 3.17Å; L169-L171 VanDerWaalsContact C-N 3.35Å; L169-L171 PolarHBondContact O-N 3.43Å; L169-E172 PolarHBondContact O-N 3.5Å; L169-E173 WeakPolarHBondContact O-CB 3.36Å; L169-E173 PolarHBondContact O-N 3.02Å
170A97.7Very high95.9Very high5 Ų542.8 Ų42.84%0.04123%0.23CC..Hα-helixtrans-59.2-44.6175.600000112.1R116 M120 L133 L166 C167 E172 E173 L174R116-A170 HydrophobicContact CG-CB 4.03Å; M120-A170 HydrophobicContact CE-CB 4.34Å; M120-A170 HydrophobicContact CG-CB 3.86Å; M120-A170 HydrophobicContact SD-CB 3.57Å; M120-A170 VanDerWaalsContact SD-CB 3.57Å; L133-A170 HydrophobicContact CD1-CB 3.93Å; L133-A170 HydrophobicContact CD2-CB 4.45Å; L166-A170 WeakPolarHBondContact O-CB 3.4Å; L166-A170 PolarHBondContact O-N 3.09Å; L166-A170 VanDerWaalsContact O-N 3.11Å; C167-A170 PolarHBondContact O-N 3.41Å; A170-E172 VanDerWaalsContact C-N 3.35Å; A170-E173 PolarHBondContact O-N 3.13Å; A170-L174 WeakPolarHBondContact O-CG 3.3Å; A170-L174 PolarHBondContact O-N 3.47Å
171L96.9Very high95.6Very high7 Ų743.5 Ų43.54%0.03724%0.235CC..Hα-helixtrans-63.7-42.6177.2-179.362.6000111.5V130 L133 E134 C167 L168 L169 L174 T175 F187V130-L171 HydrophobicContact CB-CD1 4.47Å; V130-L171 HydrophobicContact CG1-CD1 3.92Å; V130-L171 HydrophobicContact CG2-CD1 4.5Å; L133-L171 HydrophobicContact CB-CD1 4.42Å; L133-L171 HydrophobicContact CD1-CB 4.49Å; E134-L171 HydrophobicContact CG-CD1 4.3Å; E134-L171 HydrophobicContact CG-CD2 4.13Å; C167-L171 PolarHBondContact O-N 2.89Å; L168-L171 PolarHBondContact O-N 2.62Å; L169-L171 VanDerWaalsContact C-N 3.35Å; L169-L171 PolarHBondContact O-N 3.43Å; L171-L174 PolarHBondContact O-N 3.34Å; L171-T175 WeakPolarHBondContact O-CG2 3.32Å; L171-T175 PolarHBondContact O-N 2.99Å; L171-T175 PolarHBondContact O-OG1 3.15Å; L171-F187 HydrophobicContact CD2-CB 3.68Å; L171-F187 HydrophobicContact CD2-CD1 3.74Å; L171-F187 HydrophobicContact CD2-CD2 3.73Å; L171-F187 HydrophobicContact CD2-CE1 4.41Å; L171-F187 HydrophobicContact CD2-CE2 4.41Å; L171-F187 HydrophobicContact CD2-CG 3.38Å
172E94.9Very high95.3Very high51 Ų5147.6 Ų47.624%0.23826%0.264CS..Hα-helixtrans-60.8-48.3176.6-176.3164-127.100111.4L168 L169 A170 L174 T175 E176 K207L168-E172 WeakPolarHBondContact O-CB 3.41Å; L168-E172 PolarHBondContact O-N 2.74Å; L169-E172 PolarHBondContact O-N 3.5Å; A170-E172 VanDerWaalsContact C-N 3.35Å; E172-L174 PolarHBondContact O-N 3.48Å; E172-T175 PolarHBondContact O-N 2.81Å; E172-T175 VanDerWaalsContact O-N 3.1Å; E172-T175 PolarHBondContact O-OG1 3.27Å; E172-E176 HydrophobicContact CG-CG 4.37Å; E172-E176 WeakPolarHBondContact O-CG 3.38Å; E172-E176 PolarHBondContact O-N 3.5Å; E172-K207 WeakPolarHBondContact OE1-CE 3.31Å; E172-K207 IonicContact OE1-NZ 3.83Å; E172-K207 PolarHBondContact OE1-NZ 2.79Å; E172-K207 IonicContact OE2-NZ 3.14Å; E172-K207 PolarHBondContact OE2-NZ 3.34Å
173E96.1Very high95.1Very high91 Ų9146.2 Ų46.243%0.42526%0.259SS..Hα-helixtrans-58.5-43.8177.7-175.3170.3-172.200112.1M120 M123 L169 A170 T175 E176 N177M120-E173 HydrophobicContact CE-CB 3.84Å; M120-E173 HydrophobicContact CE-CG 3.73Å; M120-E173 WeakPolarHBondContact CE-OE2 3.24Å; M123-E173 HydrophobicContact CE-CG 4.42Å; L169-E173 WeakPolarHBondContact O-CB 3.36Å; L169-E173 PolarHBondContact O-N 3.02Å; A170-E173 PolarHBondContact O-N 3.13Å; E173-T175 PolarHBondContact O-N 2.85Å; E173-E176 PolarHBondContact O-N 3.31Å; E173-N177 WeakPolarHBondContact O-CB 3.47Å; E173-N177 PolarHBondContact O-N 3.45Å; E173-N177 VanDerWaalsContact O-N 3.1Å; E173-N177 PolarHBondContact O-ND2 3.19Å
174L96Very high94.9Very high0 Ų050.1 Ų50.10%027%0.273CS..Hα-helixtrans-61.3-44.2174.1-67.4-170.2000111.9I119 M120 L125 A129 L133 A170 L171 E172 E176 N177 G178 A179I119-L174 HydrophobicContact CG2-CD1 3.85Å; I119-L174 HydrophobicContact CG2-CD2 4.48Å; M120-L174 HydrophobicContact CE-CD2 4.39Å; M120-L174 HydrophobicContact SD-CD2 4.03Å; M120-L174 HydrophobicContact SD-CG 4.14Å; L125-L174 HydrophobicContact CD2-CD2 4.02Å; A129-L174 HydrophobicContact CB-CD1 4.22Å; L133-L174 HydrophobicContact CD1-CD1 3.51Å; L133-L174 HydrophobicContact CD1-CG 4.16Å; A170-L174 WeakPolarHBondContact O-CG 3.3Å; A170-L174 PolarHBondContact O-N 3.47Å; L171-L174 PolarHBondContact O-N 3.34Å; E172-L174 PolarHBondContact O-N 3.48Å; L174-E176 PolarHBondContact O-N 2.79Å; L174-N177 CarbonylContact O-C 3.49Å; L174-N177 PolarHBondContact O-N 3.11Å; L174-G178 PolarHBondContact O-N 3.45Å; L174-A179 HydrophobicContact CB-CB 3.94Å; L174-A179 VanDerWaalsContact O-CB 3.22Å; L174-A179 WeakPolarHBondContact O-CB 3.45Å; L174-A179 PolarHBondContact O-N 2.93Å
175T93.1Very high94.7Very high16 Ų1651.4 Ų51.410%0.09828%0.282CS..Hα-helixtrans-69.1-32.6-178.8620000113.2L171 E172 E173 N177 G178L171-T175 WeakPolarHBondContact O-CG2 3.32Å; L171-T175 PolarHBondContact O-N 2.99Å; L171-T175 PolarHBondContact O-OG1 3.15Å; E172-T175 PolarHBondContact O-N 2.81Å; E172-T175 VanDerWaalsContact O-N 3.1Å; E172-T175 PolarHBondContact O-OG1 3.27Å; E173-T175 PolarHBondContact O-N 2.85Å; T175-N177 VanDerWaalsContact C-N 3.3Å; T175-G178 PolarHBondContact O-N 3.03Å
176E93Very high94.6Very high108 Ų10849.5 Ų49.551%0.50528%0.275SS..Hα-helixtrans-69.9-30.6174.1-72.8-177.7168.400112.1E172 E173 L174 G178 K207E172-E176 HydrophobicContact CG-CG 4.37Å; E172-E176 WeakPolarHBondContact O-CG 3.38Å; E172-E176 PolarHBondContact O-N 3.5Å; E173-E176 PolarHBondContact O-N 3.31Å; L174-E176 PolarHBondContact O-N 2.79Å; E176-G178 VanDerWaalsContact C-N 3.26Å; E176-G178 PolarHBondContact O-N 3.12Å; E176-K207 WeakPolarHBondContact OE1-CE 3.5Å; E176-K207 IonicContact OE1-NZ 3.96Å; E176-K207 PolarHBondContact OE1-NZ 3.28Å
177N94.9Very high94.5Very high88 Ų8846.7 Ų46.747%0.47126%0.261SS..THydrogen-bonded Turntrans-857.9173.9-72-70.2000113.7M123 L125 E173 L174 T175M123-N177 HydrophobicContact CE-CB 4.13Å; M123-N177 WeakPolarHBondContact CE-ND2 3.35Å; L125-N177 HydrophobicContact CD1-CB 4.38Å; L125-N177 WeakPolarHBondContact CD1-O 3.35Å; L125-N177 HydrophobicContact CD2-CB 3.7Å; E173-N177 WeakPolarHBondContact O-CB 3.47Å; E173-N177 PolarHBondContact O-N 3.45Å; E173-N177 VanDerWaalsContact O-N 3.1Å; E173-N177 PolarHBondContact O-ND2 3.19Å; L174-N177 CarbonylContact O-C 3.49Å; L174-N177 PolarHBondContact O-N 3.11Å; T175-N177 VanDerWaalsContact C-N 3.3Å
178G93.1Very high94.4Very high63 Ų6347 Ų4765%0.64926%0.263SS*.THydrogen-bonded Turntrans102.77.1169.700000116L174 T175 E176L174-G178 PolarHBondContact O-N 3.45Å; T175-G178 PolarHBondContact O-N 3.03Å; E176-G178 VanDerWaalsContact C-N 3.26Å; E176-G178 PolarHBondContact O-N 3.12Å
179A94Very high94.4Very high7 Ų746.2 Ų46.26%0.05826%0.259CS..  trans-68.7132.1170.600000110.9L125 V130 L174L125-A179 HydrophobicContact CB-CB 4.44Å; V130-A179 HydrophobicContact CG2-CB 3.72Å; L174-A179 HydrophobicContact CB-CB 3.94Å; L174-A179 VanDerWaalsContact O-CB 3.22Å; L174-A179 WeakPolarHBondContact O-CB 3.45Å; L174-A179 PolarHBondContact O-N 2.93Å
180D90.9Very high94.4Very high116 Ų11641.8 Ų41.862%0.6224%0.235SC*.  trans-77129.6177.5-174.125.8000111.4
181S89.4Confident94.3Very high16 Ų1642.4 Ų42.411%0.11224%0.241CC..  trans-137.9104.4176.3177.50000110.2E134 N183 R184E134-S181 PolarHBondContact OE1-OG 2.74Å; S181-N183 PolarHBondContact O-N 3.17Å; S181-R184 PolarHBondContact O-N 3.47Å; S181-R184 PolarHBondContact OG-N 3.05Å
182S90.6Very high94.3Very high93 Ų9342.1 Ų42.165%0.6524%0.239SC*.THydrogen-bonded Turntrans-63.7-28.8175.360.10000112.8
183N93.4Very high94.4Very high55 Ų5539.7 Ų39.729%0.29423%0.228SC..THydrogen-bonded Turntrans-94.210.1-175.1-56.5-37.2000112.8E134 R138 S181 P185 E186 F187E134-N183 WeakPolarHBondContact OE1-CB 3.5Å; E134-N183 PolarHBondContact OE1-ND2 2.9Å; E134-N183 PolarHBondContact OE2-ND2 2.99Å; R138-N183 PolarHBondContact NH2-ND2 3.29Å; S181-N183 PolarHBondContact O-N 3.17Å; N183-P185 VanDerWaalsContact C-N 3.27Å; N183-P185 VanDerWaalsContact O-N 3.08Å; N183-E186 HydrophobicContact CB-CB 4.37Å; N183-E186 WeakPolarHBondContact O-CA 3.37Å; N183-E186 WeakPolarHBondContact O-CB 3.45Å; N183-E186 PolarHBondContact O-N 3.04Å; N183-F187 HydrophobicContact CB-CD2 4.01Å; N183-F187 HydrophobicContact CB-CE2 3.65Å; N183-F187 VanDerWaalsContact O-CD2 3.32Å; N183-F187 WeakPolarHBondContact O-CD2 3.37Å; N183-F187 PolarHBondContact O-N 3.1Å
184R92.1Very high94.5Very high90 Ų9035.7 Ų35.734%0.3421%0.209SC..Hα-helixtrans-46.3-41.3-178.9-172.3176.8-172.2174.25.6114.4S181 E186 F187 A188S181-R184 PolarHBondContact O-N 3.47Å; S181-R184 PolarHBondContact OG-N 3.05Å; R184-E186 VanDerWaalsContact C-N 3.34Å; R184-E186 PolarHBondContact O-N 3.29Å; R184-F187 PolarHBondContact O-N 3.24Å; R184-A188 VanDerWaalsContact O-CB 3.32Å; R184-A188 WeakPolarHBondContact O-CB 3.47Å; R184-A188 PolarHBondContact O-N 2.69Å
185P94.2Very high94.3Very high30 Ų3037.3 Ų37.320%0.19522%0.218CC..Hα-helixtrans-64.2-33.5176.3-21.434000114.4N183 S189 S214 L217N183-P185 VanDerWaalsContact C-N 3.27Å; N183-P185 VanDerWaalsContact O-N 3.08Å; P185-S189 WeakPolarHBondContact O-CB 3.35Å; P185-S189 PolarHBondContact O-N 2.9Å; P185-S214 WeakPolarHBondContact CB-OG 3.45Å; P185-L217 HydrophobicContact CB-CD1 4.19Å; P185-L217 HydrophobicContact CB-CG 4.42Å
186E95.8Very high94.3Very high23 Ų2336.7 Ų36.711%0.10721%0.214CC..Hα-helixtrans-59.9-53.1174.9-171.9-164.1160.400110R138 N183 R184 S189 Y190R138-E186 IonicContact CZ-OE1 3.5Å; R138-E186 IonicContact CZ-OE2 2.78Å; R138-E186 IonicContact NE-OE1 3.2Å; R138-E186 PolarHBondContact NE-OE1 3.47Å; R138-E186 IonicContact NE-OE2 2.64Å; R138-E186 IonicContact NH2-OE1 3.72Å; R138-E186 PolarHBondContact NH2-OE1 3.3Å; R138-E186 IonicContact NH2-OE2 3.94Å; R138-E186 PolarHBondContact NH2-OE2 3.31Å; N183-E186 HydrophobicContact CB-CB 4.37Å; N183-E186 WeakPolarHBondContact O-CA 3.37Å; N183-E186 WeakPolarHBondContact O-CB 3.45Å; N183-E186 PolarHBondContact O-N 3.04Å; R184-E186 VanDerWaalsContact C-N 3.34Å; R184-E186 PolarHBondContact O-N 3.29Å; E186-S189 WeakPolarHBondContact O-CB 3.4Å; E186-S189 PolarHBondContact O-N 3.19Å; E186-S189 VanDerWaalsContact O-N 3.15Å; E186-S189 PolarHBondContact O-OG 3.11Å; E186-Y190 HydrophobicContact CG-CE1 4.47Å; E186-Y190 HydrophobicContact CG-CE2 3.65Å; E186-Y190 WeakPolarHBondContact CG-OH 3.35Å; E186-Y190 PolarHBondContact O-N 2.83Å; E186-Y190 VanDerWaalsContact O-N 3.09Å; E186-Y190 WeakPolarHBondContact OE1-CE2 3.39Å; E186-Y190 PolarHBondContact OE1-OH 3.31Å
187F96.7Very high94.3Very high7 Ų736.5 Ų36.53%0.03122%0.216CC..Hα-helixtrans-71.3-35.2-177.2-66.8-79.4000113.4E134 V137 R138 L168 L171 N183 R184 S189 Y190 A191E134-F187 HydrophobicContact CB-CE1 4.02Å; E134-F187 HydrophobicContact CB-CE2 3.82Å; E134-F187 HydrophobicContact CB-CZ 3.34Å; E134-F187 HydrophobicContact CG-CD2 4.01Å; E134-F187 HydrophobicContact CG-CE1 4.14Å; E134-F187 HydrophobicContact CG-CE2 3.27Å; E134-F187 HydrophobicContact CG-CZ 3.36Å; V137-F187 HydrophobicContact CB-CD1 4.05Å; V137-F187 HydrophobicContact CB-CE1 3.79Å; V137-F187 HydrophobicContact CG1-CD1 3.83Å; V137-F187 HydrophobicContact CG1-CE1 3.88Å; V137-F187 HydrophobicContact CG2-CD1 4.24Å; V137-F187 HydrophobicContact CG2-CE1 4.33Å; R138-F187 HydrophobicContact CG-CE1 4.35Å; R138-F187 HydrophobicContact CG-CZ 4.37Å; L168-F187 HydrophobicContact CD2-CB 4.01Å; L168-F187 HydrophobicContact CD2-CD1 4.11Å; L171-F187 HydrophobicContact CD2-CB 3.68Å; L171-F187 HydrophobicContact CD2-CD1 3.74Å; L171-F187 HydrophobicContact CD2-CD2 3.73Å; L171-F187 HydrophobicContact CD2-CE1 4.41Å; L171-F187 HydrophobicContact CD2-CE2 4.41Å; L171-F187 HydrophobicContact CD2-CG 3.38Å; N183-F187 HydrophobicContact CB-CD2 4.01Å; N183-F187 HydrophobicContact CB-CE2 3.65Å; N183-F187 VanDerWaalsContact O-CD2 3.32Å; N183-F187 WeakPolarHBondContact O-CD2 3.37Å; N183-F187 PolarHBondContact O-N 3.1Å; R184-F187 PolarHBondContact O-N 3.24Å; F187-S189 VanDerWaalsContact C-N 3.26Å; F187-S189 PolarHBondContact O-N 3.36Å; F187-Y190 AromaticContact CD1-CD2 3.87Å; F187-Y190 HydrophobicContact CD1-CD2 3.87Å; F187-Y190 HydrophobicContact CD1-CE2 4.24Å; F187-Y190 HydrophobicContact CE1-CD2 4.17Å; F187-Y190 HydrophobicContact CE1-CE2 4.14Å; F187-Y190 HydrophobicContact CG-CD2 4.49Å; F187-Y190 WeakPolarHBondContact O-CB 3.44Å; F187-Y190 PolarHBondContact O-N 2.88Å; F187-A191 PolarHBondContact O-N 3.34Å
188A95.1Very high94.1Very high6 Ų633.8 Ų33.85%0.0521%0.205CC..Hα-helixtrans-62.8-35.8170.700000111.5R184 A191 I192 L217R184-A188 VanDerWaalsContact O-CB 3.32Å; R184-A188 WeakPolarHBondContact O-CB 3.47Å; R184-A188 PolarHBondContact O-N 2.69Å; A188-A191 PolarHBondContact O-N 2.9Å; A188-I192 WeakPolarHBondContact O-CG1 3.42Å; A188-I192 PolarHBondContact O-N 3.36Å; A188-L217 HydrophobicContact CB-CD2 3.76Å; A188-L217 HydrophobicContact CB-CG 4.43Å
189S96.9Very high94Very high0 Ų037.9 Ų37.90%021%0.21CC..Hα-helixtrans-63.9-41.1172.488.40000111.8P185 E186 F187 A191 I192 L193 E216 Q247P185-S189 WeakPolarHBondContact O-CB 3.35Å; P185-S189 PolarHBondContact O-N 2.9Å; E186-S189 WeakPolarHBondContact O-CB 3.4Å; E186-S189 PolarHBondContact O-N 3.19Å; E186-S189 VanDerWaalsContact O-N 3.15Å; E186-S189 PolarHBondContact O-OG 3.11Å; F187-S189 VanDerWaalsContact C-N 3.26Å; F187-S189 PolarHBondContact O-N 3.36Å; S189-A191 PolarHBondContact O-N 3.34Å; S189-I192 PolarHBondContact O-N 3Å; S189-L193 WeakPolarHBondContact O-CB 3.37Å; S189-L193 WeakPolarHBondContact O-CG 3.39Å; S189-L193 PolarHBondContact O-N 3.38Å; S189-E216 WeakPolarHBondContact CB-O 3.37Å; S189-Q247 PolarHBondContact OG-NE2 3.49Å
190Y97.9Very high93.9Very high5 Ų543.1 Ų43.12%0.0223%0.233CC..Hα-helixtrans-63.8-41.1176.3-62.3-29.1000112.3V137 I141 E186 F187 I192 L193 L194 L246 Q247 L250V137-Y190 HydrophobicContact CG1-CD2 4.16Å; I141-Y190 HydrophobicContact CD1-CD1 4.06Å; I141-Y190 HydrophobicContact CD1-CD2 3.54Å; I141-Y190 HydrophobicContact CD1-CE1 4.42Å; I141-Y190 HydrophobicContact CD1-CE2 3.97Å; I141-Y190 HydrophobicContact CD1-CG 3.62Å; E186-Y190 HydrophobicContact CG-CE1 4.47Å; E186-Y190 HydrophobicContact CG-CE2 3.65Å; E186-Y190 WeakPolarHBondContact CG-OH 3.35Å; E186-Y190 PolarHBondContact O-N 2.83Å; E186-Y190 VanDerWaalsContact O-N 3.09Å; E186-Y190 WeakPolarHBondContact OE1-CE2 3.39Å; E186-Y190 PolarHBondContact OE1-OH 3.31Å; F187-Y190 AromaticContact CD1-CD2 3.87Å; F187-Y190 HydrophobicContact CD1-CD2 3.87Å; F187-Y190 HydrophobicContact CD1-CE2 4.24Å; F187-Y190 HydrophobicContact CE1-CD2 4.17Å; F187-Y190 HydrophobicContact CE1-CE2 4.14Å; F187-Y190 HydrophobicContact CG-CD2 4.49Å; F187-Y190 WeakPolarHBondContact O-CB 3.44Å; F187-Y190 PolarHBondContact O-N 2.88Å; Y190-I192 VanDerWaalsContact C-N 3.31Å; Y190-I192 PolarHBondContact O-N 3.21Å; Y190-L193 PolarHBondContact O-N 3.46Å; Y190-L194 VanDerWaalsContact O-CB 3.31Å; Y190-L194 WeakPolarHBondContact O-CB 3.41Å; Y190-L194 PolarHBondContact O-N 2.84Å; Y190-L246 HydrophobicContact CE1-CB 3.85Å; Y190-L246 HydrophobicContact CE2-CD1 4.46Å; Y190-L246 WeakPolarHBondContact OH-CD1 3.3Å; Y190-Q247 HydrophobicContact CD1-CG 4.32Å; Y190-Q247 HydrophobicContact CE1-CG 3.87Å; Y190-L250 HydrophobicContact CD1-CD1 3.62Å; Y190-L250 HydrophobicContact CG-CD1 3.93Å
191A96.4Very high93.9Very high19 Ų1937.6 Ų37.616%0.15720%0.203CC..Hα-helixtrans-60.4-41.3177.100000112L168 F187 A188 S189 M204L168-A191 HydrophobicContact CD1-CB 3.92Å; F187-A191 PolarHBondContact O-N 3.34Å; A188-A191 PolarHBondContact O-N 2.9Å; S189-A191 PolarHBondContact O-N 3.34Å; A191-M204 VanDerWaalsContact C-CE 3.44Å; A191-M204 HydrophobicContact CB-CE 3.34Å
192I96.4Very high94Very high0 Ų041.5 Ų41.50%022%0.223CC..Hα-helixtrans-67.5-44.6175.9-66.5160.8000111.3A188 S189 Y190 L194 D195 L196 I201 M204 L205 L217 A220 W224A188-I192 WeakPolarHBondContact O-CG1 3.42Å; A188-I192 PolarHBondContact O-N 3.36Å; S189-I192 PolarHBondContact O-N 3Å; Y190-I192 VanDerWaalsContact C-N 3.31Å; Y190-I192 PolarHBondContact O-N 3.21Å; I192-L194 VanDerWaalsContact C-N 3.34Å; I192-L194 PolarHBondContact O-N 3.17Å; I192-D195 PolarHBondContact O-N 2.83Å; I192-L196 HydrophobicContact CG2-CD2 4.35Å; I192-L196 PolarHBondContact O-N 2.97Å; I192-I201 HydrophobicContact CB-CD1 4.47Å; I192-I201 HydrophobicContact CG2-CD1 4.2Å; I192-I201 HydrophobicContact CG2-CG2 4.15Å; I192-M204 HydrophobicContact CG1-CB 4.35Å; I192-M204 HydrophobicContact CG1-CE 4.05Å; I192-L205 HydrophobicContact CD1-CD2 3.62Å; I192-L205 HydrophobicContact CD1-CG 4.36Å; I192-L217 HydrophobicContact CD1-CD2 3.68Å; I192-A220 HydrophobicContact CB-CB 4.09Å; I192-A220 HydrophobicContact CD1-CB 4.34Å; I192-A220 HydrophobicContact CG2-CB 3.96Å; I192-W224 HydrophobicContact CG2-CB 4.47Å
193L97.4Very high94.2Very high0 Ų040.4 Ų40.40%022%0.215CC..Hα-helixtrans-69.9-29.9-176.7-70.2171.3000113.2S189 Y190 D195 L196 F219 A220 L223 Q247 L250 H254S189-L193 WeakPolarHBondContact O-CB 3.37Å; S189-L193 WeakPolarHBondContact O-CG 3.39Å; S189-L193 PolarHBondContact O-N 3.38Å; Y190-L193 PolarHBondContact O-N 3.46Å; L193-D195 VanDerWaalsContact C-N 3.32Å; L193-L196 HydrophobicContact CD2-CD2 4.31Å; L193-F219 HydrophobicContact CD1-CD1 4.29Å; L193-F219 HydrophobicContact CD1-CE1 4.03Å; L193-F219 HydrophobicContact CD2-CE1 4.06Å; L193-A220 HydrophobicContact CD1-CB 4.45Å; L193-A220 HydrophobicContact CD2-CB 4.19Å; L193-A220 HydrophobicContact CG-CB 3.96Å; L193-L223 HydrophobicContact CD2-CB 4.3Å; L193-L223 HydrophobicContact CD2-CD2 3.43Å; L193-L223 VanDerWaalsContact CD2-CD2 3.43Å; L193-L223 HydrophobicContact CD2-CG 4.44Å; L193-Q247 HydrophobicContact CD1-CB 3.73Å; L193-Q247 HydrophobicContact CD1-CG 3.61Å; L193-L250 HydrophobicContact CB-CB 3.85Å; L193-L250 HydrophobicContact CB-CD1 3.96Å; L193-H254 PolarHBondContact O-CD2 3.49Å; L193-H254 PolarHBondContact O-NE2 3.09Å
194L96.4Very high94.1Very high7 Ų739.9 Ų39.94%0.03721%0.211CC..Hα-helixtrans-62.9-40.7177.3-177.162.1000111.4A161 I164 R165 L168 Y190 I192 L250 H254A161-L194 HydrophobicContact CB-CD1 4.27Å; I164-L194 HydrophobicContact CB-CD2 3.95Å; I164-L194 HydrophobicContact CD1-CD1 4.16Å; I164-L194 HydrophobicContact CG2-CD2 3.71Å; R165-L194 HydrophobicContact CG-CD2 3.45Å; R165-L194 VanDerWaalsContact CG-CD2 3.45Å; L168-L194 HydrophobicContact CD1-CD2 4.25Å; Y190-L194 VanDerWaalsContact O-CB 3.31Å; Y190-L194 WeakPolarHBondContact O-CB 3.41Å; Y190-L194 PolarHBondContact O-N 2.84Å; I192-L194 VanDerWaalsContact C-N 3.34Å; I192-L194 PolarHBondContact O-N 3.17Å; L194-L250 HydrophobicContact CB-CD2 4.23Å; L194-L250 HydrophobicContact CD1-CD2 3.76Å; L194-H254 PolarHBondContact O-NE2 3.07Å
195D93Very high94.1Very high35 Ų3536.7 Ų36.719%0.18720%0.201CC..THydrogen-bonded Turntrans-120.845.2-171.2-70.2-33.5000112.5R165 I192 L193 D197 S198 I201R165-D195 IonicContact CZ-OD1 3.72Å; R165-D195 IonicContact CZ-OD2 3.8Å; R165-D195 IonicContact NE-OD1 3.11Å; R165-D195 PolarHBondContact NE-OD1 3.43Å; R165-D195 VanDerWaalsContact NE-OD1 3.14Å; R165-D195 IonicContact NE-OD2 3.34Å; R165-D195 PolarHBondContact NE-OD2 2.91Å; R165-D195 IonicContact NH2-OD1 3.02Å; R165-D195 PolarHBondContact NH2-OD1 3.32Å; I192-D195 PolarHBondContact O-N 2.83Å; L193-D195 VanDerWaalsContact C-N 3.32Å; D195-D197 PolarHBondContact O-N 2.9Å; D195-S198 WeakPolarHBondContact O-CB 3.12Å; D195-S198 PolarHBondContact O-N 3.24Å; D195-I201 WeakPolarHBondContact O-CD1 3.45Å; D195-I201 VanDerWaalsContact O-CG1 3.26Å; D195-I201 WeakPolarHBondContact O-CG1 3.27Å
196L93.9Very high94.1Very high2 Ų243.6 Ų43.61%0.0122%0.223CC..THydrogen-bonded Turntrans-55.1-26.6-175.8-75.8-179.8000115.1I192 L193 L223 W224 F227 Y235 H254I192-L196 HydrophobicContact CG2-CD2 4.35Å; I192-L196 PolarHBondContact O-N 2.97Å; L193-L196 HydrophobicContact CD2-CD2 4.31Å; L196-L223 HydrophobicContact CD1-CD2 4.15Å; L196-L223 HydrophobicContact CD1-CG 4.48Å; L196-W224 HydrophobicContact CD2-CB 3.79Å; L196-W224 VanDerWaalsContact O-CD1 3.28Å; L196-F227 HydrophobicContact CB-CD1 4.02Å; L196-F227 HydrophobicContact CB-CE1 4.28Å; L196-F227 HydrophobicContact CB-CG 4.36Å; L196-F227 HydrophobicContact CD1-CG 4.5Å; L196-Y235 HydrophobicContact CD1-CE2 4.29Å; L196-H254 HydrophobicContact CD1-CB 4.3Å
197D91.5Very high93.9Very high104 Ų10447 Ų4756%0.55624%0.238SC*.THydrogen-bonded Turntrans-89.5-6.4178.462.3-21.9000113.6D195 F227 H254D195-D197 PolarHBondContact O-N 2.9Å; D197-F227 HydrophobicContact CB-CE1 3.92Å; D197-F227 HydrophobicContact CB-CZ 4.36Å; D197-H254 IonicContact OD1-CE1 3.5Å
198S91.9Very high93.5Very high32 Ų3247.2 Ų47.222%0.22424%0.239CC..  trans-69.2139.5-179177.40000112.8D195 H200 I201D195-S198 WeakPolarHBondContact O-CB 3.12Å; D195-S198 PolarHBondContact O-N 3.24Å; S198-H200 PolarHBondContact O-N 3.38Å; S198-H200 VanDerWaalsContact O-N 3.14Å; S198-H200 PolarHBondContact OG-CD2 3.45Å; S198-H200 PolarHBondContact OG-N 2.78Å; S198-H200 VanDerWaalsContact OG-N 3.12Å; S198-I201 WeakPolarHBondContact O-CG1 3.45Å; S198-I201 PolarHBondContact O-N 2.92Å
199I90.3Very high93.3Very high149 Ų14956.5 Ų56.576%0.76427%0.272SS*.THydrogen-bonded Turntrans-62.4-17.5171.461.8171.1000112.6
200H91.4Very high92.8Very high116 Ų11661.6 Ų61.654%0.53731%0.308SS..THydrogen-bonded Turntrans-87.9-5.7-175.1-58.2-62.6000114S198 L202 S203 M204S198-H200 PolarHBondContact O-N 3.38Å; S198-H200 VanDerWaalsContact O-N 3.14Å; S198-H200 PolarHBondContact OG-CD2 3.45Å; S198-H200 PolarHBondContact OG-N 2.78Å; S198-H200 VanDerWaalsContact OG-N 3.12Å; H200-L202 VanDerWaalsContact C-N 3.29Å; H200-L202 PolarHBondContact O-N 2.94Å; H200-S203 WeakPolarHBondContact O-CA 3.47Å; H200-S203 VanDerWaalsContact O-CB 3.25Å; H200-S203 WeakPolarHBondContact O-CB 3.39Å; H200-S203 PolarHBondContact O-N 3.25Å; H200-M204 PolarHBondContact O-N 3.42Å; H200-M204 VanDerWaalsContact O-N 3.1Å
201I92.2Very high92.4Very high0 Ų063.2 Ų63.20%032%0.32CS..Hα-helixtrans-58.2-39.8-177.3-66.2-56.1000112.6I192 D195 S198 S203 M204 L205 W224I192-I201 HydrophobicContact CB-CD1 4.47Å; I192-I201 HydrophobicContact CG2-CD1 4.2Å; I192-I201 HydrophobicContact CG2-CG2 4.15Å; D195-I201 WeakPolarHBondContact O-CD1 3.45Å; D195-I201 VanDerWaalsContact O-CG1 3.26Å; D195-I201 WeakPolarHBondContact O-CG1 3.27Å; S198-I201 WeakPolarHBondContact O-CG1 3.45Å; S198-I201 PolarHBondContact O-N 2.92Å; I201-S203 PolarHBondContact O-N 2.89Å; I201-M204 HydrophobicContact CD1-SD 3.99Å; I201-M204 PolarHBondContact O-N 3.36Å; I201-M204 VanDerWaalsContact O-N 3.16Å; I201-L205 HydrophobicContact CG2-CD1 3.75Å; I201-L205 HydrophobicContact CG2-CG 4.03Å; I201-L205 WeakPolarHBondContact O-CB 3.44Å; I201-L205 WeakPolarHBondContact O-CG 3.46Å; I201-L205 PolarHBondContact O-N 2.89Å; I201-W224 HydrophobicContact CG2-CB 4.38Å; I201-W224 VanDerWaalsContact CG2-CD1 3.44Å; I201-W224 HydrophobicContact CG2-CD2 3.67Å; I201-W224 HydrophobicContact CG2-CE3 4.47Å; I201-W224 HydrophobicContact CG2-CG 3.56Å; I201-W224 HydrophobicContact CG2-CZ2 4.46Å
202L91.7Very high92Very high99 Ų9964.8 Ų64.852%0.51833%0.325SS..Hα-helixtrans-61.8-33.6176.3-74.7177.2000112.7H200 R206 W224H200-L202 VanDerWaalsContact C-N 3.29Å; H200-L202 PolarHBondContact O-N 2.94Å; L202-R206 WeakPolarHBondContact O-CB 3.38Å; L202-R206 PolarHBondContact O-N 3.37Å; L202-R206 VanDerWaalsContact O-N 3.11Å; L202-W224 HydrophobicContact CD2-CH2 3.38Å; L202-W224 HydrophobicContact CD2-CZ2 3.98Å; L202-W224 HydrophobicContact CD2-CZ3 3.99Å; L202-W224 HydrophobicContact CG-CH2 3.96Å; L202-W224 HydrophobicContact CG-CZ2 4.06Å
203S93.3Very high91.7Very high70 Ų7070.2 Ų70.249%0.4936%0.358SS..Hα-helixtrans-67.8-45.1174.7-165.90000110.8H200 I201 R206 K207H200-S203 WeakPolarHBondContact O-CA 3.47Å; H200-S203 VanDerWaalsContact O-CB 3.25Å; H200-S203 WeakPolarHBondContact O-CB 3.39Å; H200-S203 PolarHBondContact O-N 3.25Å; I201-S203 PolarHBondContact O-N 2.89Å; S203-R206 WeakPolarHBondContact O-CB 3.42Å; S203-R206 PolarHBondContact O-N 2.84Å; S203-K207 PolarHBondContact O-N 3.27Å
204M92Very high91.6Very high44 Ų4471.1 Ų71.122%0.21736%0.364CS..Hα-helixtrans-63.2-45.5177.8-63.4176.463.600112.2A191 I192 H200 I201 R206 K207 H208A191-M204 VanDerWaalsContact C-CE 3.44Å; A191-M204 HydrophobicContact CB-CE 3.34Å; I192-M204 HydrophobicContact CG1-CB 4.35Å; I192-M204 HydrophobicContact CG1-CE 4.05Å; H200-M204 PolarHBondContact O-N 3.42Å; H200-M204 VanDerWaalsContact O-N 3.1Å; I201-M204 HydrophobicContact CD1-SD 3.99Å; I201-M204 PolarHBondContact O-N 3.36Å; I201-M204 VanDerWaalsContact O-N 3.16Å; M204-R206 VanDerWaalsContact C-N 3.27Å; M204-R206 PolarHBondContact O-N 2.67Å; M204-K207 WeakPolarHBondContact O-CB 3.37Å; M204-K207 PolarHBondContact O-N 3.12Å; M204-K207 VanDerWaalsContact O-N 3.17Å; M204-H208 PolarHBondContact O-CD2 3.33Å; M204-H208 PolarHBondContact O-N 2.98Å
205L92.1Very high91.5Very high22 Ų2274.8 Ų74.812%0.11539%0.388CS..Hα-helixtrans-60.8-37.2175.8-71.7171.6000111.9I192 I201 R209 M212 A221 W224I192-L205 HydrophobicContact CD1-CD2 3.62Å; I192-L205 HydrophobicContact CD1-CG 4.36Å; I201-L205 HydrophobicContact CG2-CD1 3.75Å; I201-L205 HydrophobicContact CG2-CG 4.03Å; I201-L205 WeakPolarHBondContact O-CB 3.44Å; I201-L205 WeakPolarHBondContact O-CG 3.46Å; I201-L205 PolarHBondContact O-N 2.89Å; L205-R209 PolarHBondContact O-N 2.89Å; L205-M212 HydrophobicContact CB-CE 4.43Å; L205-M212 HydrophobicContact CD2-CE 3.78Å; L205-A221 HydrophobicContact CD2-CB 3.73Å; L205-W224 HydrophobicContact CD1-CD2 4.17Å; L205-W224 HydrophobicContact CD1-CE3 3.66Å; L205-W224 HydrophobicContact CD1-CZ3 3.96Å
206R93.4Very high91.7Very high176 Ų17676.1 Ų76.166%0.66439%0.393SS*.Hα-helixtrans-67.5-42.5175.3-171.9-178.6-63.2117.8-0.3111.5L202 S203 M204 H208 R209L202-R206 WeakPolarHBondContact O-CB 3.38Å; L202-R206 PolarHBondContact O-N 3.37Å; L202-R206 VanDerWaalsContact O-N 3.11Å; S203-R206 WeakPolarHBondContact O-CB 3.42Å; S203-R206 PolarHBondContact O-N 2.84Å; M204-R206 VanDerWaalsContact C-N 3.27Å; M204-R206 PolarHBondContact O-N 2.67Å; R206-H208 VanDerWaalsContact C-N 3.28Å; R206-H208 PolarHBondContact O-N 3.26Å; R206-R209 VanDerWaalsContact O-CB 3.29Å; R206-R209 WeakPolarHBondContact O-CB 3.28Å; R206-R209 PolarHBondContact O-N 2.96Å
207K91.6Very high91.7Very high95 Ų9576 Ų7641%0.41339%0.393SS..Hα-helixtrans-57.8-40.9176.8-171.5176.3-174.1173.60111.8E172 E176 S203 M204E172-K207 WeakPolarHBondContact OE1-CE 3.31Å; E172-K207 IonicContact OE1-NZ 3.83Å; E172-K207 PolarHBondContact OE1-NZ 2.79Å; E172-K207 IonicContact OE2-NZ 3.14Å; E172-K207 PolarHBondContact OE2-NZ 3.34Å; E176-K207 WeakPolarHBondContact OE1-CE 3.5Å; E176-K207 IonicContact OE1-NZ 3.96Å; E176-K207 PolarHBondContact OE1-NZ 3.28Å; S203-K207 PolarHBondContact O-N 3.27Å; M204-K207 WeakPolarHBondContact O-CB 3.37Å; M204-K207 PolarHBondContact O-N 3.12Å; M204-K207 VanDerWaalsContact O-N 3.17Å
208H89.5Confident91.9Very high11 Ų1176.3 Ų76.35%0.05139%0.386CS..THydrogen-bonded Turntrans-97.220.4-179.4-57.4-65.4000114.5M204 R206 S210 S211 M212 L217M204-H208 PolarHBondContact O-CD2 3.33Å; M204-H208 PolarHBondContact O-N 2.98Å; R206-H208 VanDerWaalsContact C-N 3.28Å; R206-H208 PolarHBondContact O-N 3.26Å; H208-S210 VanDerWaalsContact C-N 3.3Å; H208-S210 PolarHBondContact O-N 3.07Å; H208-S211 PolarHBondContact O-N 3.41Å; H208-M212 PolarHBondContact O-N 3.01Å; H208-L217 HydrophobicContact CB-CD1 3.91Å; H208-L217 HydrophobicContact CB-CD2 4.23Å
209R89.7Confident92.2Very high201 Ų20175.6 Ų75.676%0.75838%0.379SS*.G310 helixtrans-57.7-39.3-175.7-176.5178.4-178-179.71.6113.3L205 R206 S211 M212L205-R209 PolarHBondContact O-N 2.89Å; R206-R209 VanDerWaalsContact O-CB 3.29Å; R206-R209 WeakPolarHBondContact O-CB 3.28Å; R206-R209 PolarHBondContact O-N 2.96Å; R209-S211 VanDerWaalsContact C-N 3.25Å; R209-S211 PolarHBondContact O-N 3.41Å; R209-M212 VanDerWaalsContact O-CB 3.31Å; R209-M212 WeakPolarHBondContact O-CB 3.33Å; R209-M212 PolarHBondContact O-N 3.18Å
210S87.6Confident92.5Very high107 Ų10768.5 Ų68.575%0.74834%0.342SS*.G310 helixtrans-64.8-29.4177.950.20000112.7H208H208-S210 VanDerWaalsContact C-N 3.3Å; H208-S210 PolarHBondContact O-N 3.07Å
211S88.6Confident92.8Very high38 Ų3863.5 Ų63.527%0.26632%0.321SS..G310 helixtrans-92.91.5-179.4-54.80000113.7H208 R209 V213 S214 L217H208-S211 PolarHBondContact O-N 3.41Å; R209-S211 VanDerWaalsContact C-N 3.25Å; R209-S211 PolarHBondContact O-N 3.41Å; S211-V213 PolarHBondContact O-N 3.27Å; S211-S214 WeakPolarHBondContact O-CB 3.35Å; S211-S214 PolarHBondContact O-N 3.41Å; S211-S214 PolarHBondContact O-OG 3.25Å; S211-L217 WeakPolarHBondContact O-CD1 3.3Å
212M88.9Confident93Very high53 Ų5367.2 Ų67.226%0.26134%0.341SS..THydrogen-bonded Turntrans-63.2-9.1-178.9-160.363.365.400114L205 H208 R209 S214 L217 R218 A221L205-M212 HydrophobicContact CB-CE 4.43Å; L205-M212 HydrophobicContact CD2-CE 3.78Å; H208-M212 PolarHBondContact O-N 3.01Å; R209-M212 VanDerWaalsContact O-CB 3.31Å; R209-M212 WeakPolarHBondContact O-CB 3.33Å; R209-M212 PolarHBondContact O-N 3.18Å; M212-S214 PolarHBondContact O-N 3.03Å; M212-L217 HydrophobicContact SD-CB 4.08Å; M212-R218 PolarHBondContact O-NH2 3.47Å; M212-A221 HydrophobicContact SD-CB 4Å
213V90.4Very high93.2Very high114 Ų11462.5 Ų62.569%0.69132%0.316SS*.THydrogen-bonded Turntrans-66.7-28.4171.8-177.40000111.4S211 R218S211-V213 PolarHBondContact O-N 3.27Å; V213-R218 VanDerWaalsContact C-NH2 3.33Å; V213-R218 VanDerWaalsContact O-CZ 3.31Å; V213-R218 PolarHBondContact O-NH1 3.47Å; V213-R218 PolarHBondContact O-NH2 3.18Å
214S94.1Very high93.4Very high18 Ų1860.8 Ų60.813%0.12630%0.299CS..SBendtrans-62141.5179.663.10000112.6P185 S211 M212 E216 L217 R218P185-S214 WeakPolarHBondContact CB-OG 3.45Å; S211-S214 WeakPolarHBondContact O-CB 3.35Å; S211-S214 PolarHBondContact O-N 3.41Å; S211-S214 PolarHBondContact O-OG 3.25Å; M212-S214 PolarHBondContact O-N 3.03Å; S214-E216 VanDerWaalsContact C-N 3.27Å; S214-E216 WeakPolarHBondContact CB-OE2 3.48Å; S214-E216 PolarHBondContact O-N 2.76Å; S214-L217 WeakPolarHBondContact OG-CB 3.28Å; S214-L217 PolarHBondContact OG-N 3.12Å; S214-R218 WeakPolarHBondContact O-CB 3.41Å; S214-R218 PolarHBondContact O-N 3.26Å; S214-R218 VanDerWaalsContact O-N 3.13Å
215P95.4Very high93.6Very high85 Ų8562.7 Ų62.755%0.55231%0.309SS*.Hα-helixtrans-63.3-32.417824.1-31000112.6F219P215-F219 WeakPolarHBondContact O-CB 3.47Å; P215-F219 PolarHBondContact O-N 3.41Å
216E95.5Very high93.9Very high63 Ų6362 Ų6229%0.29431%0.306SS..Hα-helixtrans-67.1-50.4-178.5-57.876.6-167.400111.5S189 S214 F219 A220S189-E216 WeakPolarHBondContact CB-O 3.37Å; S214-E216 VanDerWaalsContact C-N 3.27Å; S214-E216 WeakPolarHBondContact CB-OE2 3.48Å; S214-E216 PolarHBondContact O-N 2.76Å; E216-F219 PolarHBondContact O-N 3.26Å; E216-A220 PolarHBondContact O-N 3.48Å
217L95.3Very high94Very high0 Ų053.9 Ų53.90%028%0.276CS..Hα-helixtrans-67.2-38.3176.8-77.6168.5000111.8P185 A188 I192 H208 S211 M212 S214 F219 A220 A221P185-L217 HydrophobicContact CB-CD1 4.19Å; P185-L217 HydrophobicContact CB-CG 4.42Å; A188-L217 HydrophobicContact CB-CD2 3.76Å; A188-L217 HydrophobicContact CB-CG 4.43Å; I192-L217 HydrophobicContact CD1-CD2 3.68Å; H208-L217 HydrophobicContact CB-CD1 3.91Å; H208-L217 HydrophobicContact CB-CD2 4.23Å; S211-L217 WeakPolarHBondContact O-CD1 3.3Å; M212-L217 HydrophobicContact SD-CB 4.08Å; S214-L217 WeakPolarHBondContact OG-CB 3.28Å; S214-L217 PolarHBondContact OG-N 3.12Å; L217-F219 VanDerWaalsContact C-N 3.31Å; L217-F219 PolarHBondContact O-N 3.37Å; L217-A220 PolarHBondContact O-N 2.87Å; L217-A221 VanDerWaalsContact O-CB 3.3Å; L217-A221 WeakPolarHBondContact O-CB 3.48Å; L217-A221 PolarHBondContact O-N 2.91Å
218R96Very high94.2Very high109 Ų10955.1 Ų55.141%0.41128%0.283SS..Hα-helixtrans-62.9-39.4175.6-173.3179.1-60.9104.83.3111.6M212 V213 S214 N222M212-R218 PolarHBondContact O-NH2 3.47Å; V213-R218 VanDerWaalsContact C-NH2 3.33Å; V213-R218 VanDerWaalsContact O-CZ 3.31Å; V213-R218 PolarHBondContact O-NH1 3.47Å; V213-R218 PolarHBondContact O-NH2 3.18Å; S214-R218 WeakPolarHBondContact O-CB 3.41Å; S214-R218 PolarHBondContact O-N 3.26Å; S214-R218 VanDerWaalsContact O-N 3.13Å; R218-N222 WeakPolarHBondContact O-CB 3.3Å; R218-N222 PolarHBondContact O-N 3.39Å; R218-N222 VanDerWaalsContact O-N 3.07Å; R218-N222 PolarHBondContact O-ND2 2.88Å
219F97.3Very high94.4Very high17 Ų1758.8 Ų58.88%0.07531%0.306CS..Hα-helixtrans-61.2-53173.4171.7-92.7000110.7L193 P215 E216 L217 A221 N222 L223 K242 A243 Q247L193-F219 HydrophobicContact CD1-CD1 4.29Å; L193-F219 HydrophobicContact CD1-CE1 4.03Å; L193-F219 HydrophobicContact CD2-CE1 4.06Å; P215-F219 WeakPolarHBondContact O-CB 3.47Å; P215-F219 PolarHBondContact O-N 3.41Å; E216-F219 PolarHBondContact O-N 3.26Å; L217-F219 VanDerWaalsContact C-N 3.31Å; L217-F219 PolarHBondContact O-N 3.37Å; F219-A221 PolarHBondContact O-N 2.94Å; F219-N222 PolarHBondContact O-N 3.26Å; F219-L223 HydrophobicContact CE1-CD2 4.13Å; F219-L223 HydrophobicContact CZ-CD2 4.07Å; F219-L223 WeakPolarHBondContact O-CB 3.43Å; F219-L223 PolarHBondContact O-N 3.13Å; F219-K242 HydrophobicContact CD2-CB 3.99Å; F219-K242 HydrophobicContact CE2-CB 4.06Å; F219-A243 HydrophobicContact CE1-CB 4.2Å; F219-A243 HydrophobicContact CE2-CB 3.93Å; F219-A243 HydrophobicContact CZ-CB 3.5Å; F219-Q247 HydrophobicContact CD1-CB 4.39Å; F219-Q247 HydrophobicContact CD1-CG 4.32Å; F219-Q247 HydrophobicContact CE1-CB 3.87Å; F219-Q247 HydrophobicContact CE1-CG 4.28Å
220A97.2Very high94.7Very high0 Ų050.8 Ų50.80%028%0.281CS..Hα-helixtrans-60.2-43.4-178.900000112.6I192 L193 E216 L217 L223 W224I192-A220 HydrophobicContact CB-CB 4.09Å; I192-A220 HydrophobicContact CD1-CB 4.34Å; I192-A220 HydrophobicContact CG2-CB 3.96Å; L193-A220 HydrophobicContact CD1-CB 4.45Å; L193-A220 HydrophobicContact CD2-CB 4.19Å; L193-A220 HydrophobicContact CG-CB 3.96Å; E216-A220 PolarHBondContact O-N 3.48Å; L217-A220 PolarHBondContact O-N 2.87Å; A220-L223 PolarHBondContact O-N 3.03Å; A220-W224 WeakPolarHBondContact O-CB 3.29Å; A220-W224 PolarHBondContact O-N 2.89Å
221A96.1Very high95.1Very high12 Ų1249 Ų4910%0.09926%0.262CS..Hα-helixtrans-62.8-44.7176.800000112.3L205 M212 L217 F219 W224 I225L205-A221 HydrophobicContact CD2-CB 3.73Å; M212-A221 HydrophobicContact SD-CB 4Å; L217-A221 VanDerWaalsContact O-CB 3.3Å; L217-A221 WeakPolarHBondContact O-CB 3.48Å; L217-A221 PolarHBondContact O-N 2.91Å; F219-A221 PolarHBondContact O-N 2.94Å; A221-W224 PolarHBondContact O-N 3.43Å; A221-I225 VanDerWaalsContact O-CG1 3.31Å; A221-I225 WeakPolarHBondContact O-CG1 3.37Å; A221-I225 PolarHBondContact O-N 3.49Å
222N96.8Very high95.3Very high77 Ų7749.6 Ų49.641%0.41226%0.259SS..Hα-helixtrans-66.8-36.9177.5-74.5-34.9000112.4R218 F219 I225 S226R218-N222 WeakPolarHBondContact O-CB 3.3Å; R218-N222 PolarHBondContact O-N 3.39Å; R218-N222 VanDerWaalsContact O-N 3.07Å; R218-N222 PolarHBondContact O-ND2 2.88Å; F219-N222 PolarHBondContact O-N 3.26Å; N222-I225 PolarHBondContact O-N 3.27Å; N222-S226 PolarHBondContact O-N 2.99Å; N222-S226 PolarHBondContact O-OG 3.18Å
223L97.5Very high95.5Very high0 Ų049.8 Ų49.80%026%0.263CS..Hα-helixtrans-67.6-41.7176.2-164.172.7000110.8L193 L196 F219 A220 S226 F227 Y235 I239 A251L193-L223 HydrophobicContact CD2-CB 4.3Å; L193-L223 HydrophobicContact CD2-CD2 3.43Å; L193-L223 VanDerWaalsContact CD2-CD2 3.43Å; L193-L223 HydrophobicContact CD2-CG 4.44Å; L196-L223 HydrophobicContact CD1-CD2 4.15Å; L196-L223 HydrophobicContact CD1-CG 4.48Å; F219-L223 HydrophobicContact CE1-CD2 4.13Å; F219-L223 HydrophobicContact CZ-CD2 4.07Å; F219-L223 WeakPolarHBondContact O-CB 3.43Å; F219-L223 PolarHBondContact O-N 3.13Å; A220-L223 PolarHBondContact O-N 3.03Å; L223-S226 PolarHBondContact O-N 3.34Å; L223-F227 WeakPolarHBondContact O-CB 3.44Å; L223-F227 PolarHBondContact O-N 3.28Å; L223-Y235 HydrophobicContact CD1-CD2 3.64Å; L223-Y235 HydrophobicContact CD1-CE2 3.92Å; L223-Y235 HydrophobicContact CD1-CG 4.27Å; L223-Y235 HydrophobicContact CD2-CE2 4.27Å; L223-Y235 HydrophobicContact CG-CD2 4Å; L223-Y235 HydrophobicContact CG-CE2 3.91Å; L223-I239 HydrophobicContact CD1-CD1 4.39Å; L223-I239 HydrophobicContact CD1-CG1 3.9Å; L223-I239 HydrophobicContact CD2-CG1 4.3Å; L223-A251 HydrophobicContact CD2-CB 3.72Å
224W96.7Very high95.7Very high35 Ų3546.8 Ų46.813%0.13324%0.242CC..Hα-helixtrans-59.3-46172.1172.674.8000112.4I192 L196 I201 L202 L205 A220 A221 S226 F227 H228I192-W224 HydrophobicContact CG2-CB 4.47Å; L196-W224 HydrophobicContact CD2-CB 3.79Å; L196-W224 VanDerWaalsContact O-CD1 3.28Å; I201-W224 HydrophobicContact CG2-CB 4.38Å; I201-W224 VanDerWaalsContact CG2-CD1 3.44Å; I201-W224 HydrophobicContact CG2-CD2 3.67Å; I201-W224 HydrophobicContact CG2-CE3 4.47Å; I201-W224 HydrophobicContact CG2-CG 3.56Å; I201-W224 HydrophobicContact CG2-CZ2 4.46Å; L202-W224 HydrophobicContact CD2-CH2 3.38Å; L202-W224 HydrophobicContact CD2-CZ2 3.98Å; L202-W224 HydrophobicContact CD2-CZ3 3.99Å; L202-W224 HydrophobicContact CG-CH2 3.96Å; L202-W224 HydrophobicContact CG-CZ2 4.06Å; L205-W224 HydrophobicContact CD1-CD2 4.17Å; L205-W224 HydrophobicContact CD1-CE3 3.66Å; L205-W224 HydrophobicContact CD1-CZ3 3.96Å; A220-W224 WeakPolarHBondContact O-CB 3.29Å; A220-W224 PolarHBondContact O-N 2.89Å; A221-W224 PolarHBondContact O-N 3.43Å; W224-S226 VanDerWaalsContact C-N 3.33Å; W224-S226 PolarHBondContact O-N 3.29Å; W224-F227 PolarHBondContact O-N 3.41Å; W224-H228 HydrophobicContact CZ2-CB 4.43Å; W224-H228 VanDerWaalsContact O-CB 3.27Å; W224-H228 WeakPolarHBondContact O-CB 3.4Å; W224-H228 PolarHBondContact O-N 3.5Å
225I96.6Very high95.8Very high83 Ų8345.9 Ų45.943%0.42624%0.236SC..Hα-helixtrans-56.6-49.9175-69165000109.9A221 N222 F227 H228 T229A221-I225 VanDerWaalsContact O-CG1 3.31Å; A221-I225 WeakPolarHBondContact O-CG1 3.37Å; A221-I225 PolarHBondContact O-N 3.49Å; N222-I225 PolarHBondContact O-N 3.27Å; I225-F227 VanDerWaalsContact C-N 3.31Å; I225-F227 PolarHBondContact O-N 2.96Å; I225-H228 PolarHBondContact O-N 3.1Å; I225-T229 HydrophobicContact CG2-CG2 4.36Å; I225-T229 WeakPolarHBondContact O-CG2 3.25Å; I225-T229 PolarHBondContact O-N 3.16Å; I225-T229 PolarHBondContact O-OG1 3.42Å
226S97Very high95.7Very high7 Ų743.4 Ų43.45%0.04922%0.216CC..Hα-helixtrans-60.7-40.8-179.4-51.60000111.7N222 L223 W224 C230 D231 Q234N222-S226 PolarHBondContact O-N 2.99Å; N222-S226 PolarHBondContact O-OG 3.18Å; L223-S226 PolarHBondContact O-N 3.34Å; W224-S226 VanDerWaalsContact C-N 3.33Å; W224-S226 PolarHBondContact O-N 3.29Å; S226-C230 CarbonylContact O-C 3.18Å; S226-C230 PolarHBondContact O-N 3.34Å; S226-D231 PolarHBondContact O-N 3.36Å; S226-Q234 WeakPolarHBondContact OG-CG 3.42Å
227F96.2Very high95.6Very high6 Ų646.2 Ų46.23%0.02622%0.224CC..Hα-helixtrans-67.3-46.1176.3-176.2-99000111.6L196 D197 L223 W224 I225 C230 Y235 H254 T257 M258 R261L196-F227 HydrophobicContact CB-CD1 4.02Å; L196-F227 HydrophobicContact CB-CE1 4.28Å; L196-F227 HydrophobicContact CB-CG 4.36Å; L196-F227 HydrophobicContact CD1-CG 4.5Å; D197-F227 HydrophobicContact CB-CE1 3.92Å; D197-F227 HydrophobicContact CB-CZ 4.36Å; L223-F227 WeakPolarHBondContact O-CB 3.44Å; L223-F227 PolarHBondContact O-N 3.28Å; W224-F227 PolarHBondContact O-N 3.41Å; I225-F227 VanDerWaalsContact C-N 3.31Å; I225-F227 PolarHBondContact O-N 2.96Å; F227-C230 PolarHBondContact O-N 3.4Å; F227-Y235 HydrophobicContact CB-CD2 4.07Å; F227-Y235 HydrophobicContact CB-CE2 4.05Å; F227-Y235 HydrophobicContact CD2-CD2 4.33Å; F227-Y235 AromaticContact CD2-CE2 3.82Å; F227-Y235 HydrophobicContact CD2-CE2 3.82Å; F227-Y235 HydrophobicContact CG-CE2 4.38Å; F227-H254 HydrophobicContact CD2-CB 4.39Å; F227-H254 HydrophobicContact CE2-CB 3.86Å; F227-H254 HydrophobicContact CZ-CB 4.37Å; F227-T257 HydrophobicContact CE2-CG2 4.39Å; F227-T257 HydrophobicContact CZ-CG2 3.95Å; F227-M258 HydrophobicContact CD2-CB 4.47Å; F227-M258 HydrophobicContact CD2-SD 3.96Å; F227-M258 HydrophobicContact CE2-CB 4.31Å; F227-M258 HydrophobicContact CE2-SD 4.37Å; F227-R261 VanDerWaalsContact O-CZ 3.26Å; F227-R261 PolarHBondContact O-NH1 3.33Å; F227-R261 PolarHBondContact O-NH2 2.93Å
228H95.1Very high95.6Very high122 Ų12246.4 Ų46.457%0.56523%0.226SC*.Hα-helixtrans-63.2-46.3-179.1-176.666.4000111.6W224 I225 C230 R261W224-H228 HydrophobicContact CZ2-CB 4.43Å; W224-H228 VanDerWaalsContact O-CB 3.27Å; W224-H228 WeakPolarHBondContact O-CB 3.4Å; W224-H228 PolarHBondContact O-N 3.5Å; I225-H228 PolarHBondContact O-N 3.1Å; H228-C230 PolarHBondContact O-N 3.49Å; H228-R261 PolarHBondContact O-NH2 3.45Å
229T95.5Very high95.4Very high88 Ų8842.7 Ų42.754%0.5421%0.214SC..THydrogen-bonded Turntrans-78.6-2.2179.162.10000114.1I225 D231I225-T229 HydrophobicContact CG2-CG2 4.36Å; I225-T229 WeakPolarHBondContact O-CG2 3.25Å; I225-T229 PolarHBondContact O-N 3.16Å; I225-T229 PolarHBondContact O-OG1 3.42Å; T229-D231 PolarHBondContact O-N 3.16Å
230C94.5Very high95.1Very high33 Ų3349.7 Ų49.722%0.22324%0.244CC..THydrogen-bonded Turntrans60.728.7-173.9-151.60000113.3S226 F227 H228 Y232S226-C230 CarbonylContact O-C 3.18Å; S226-C230 PolarHBondContact O-N 3.34Å; F227-C230 PolarHBondContact O-N 3.4Å; H228-C230 PolarHBondContact O-N 3.49Å; C230-Y232 VanDerWaalsContact C-N 3.26Å; C230-Y232 PolarHBondContact O-N 3.25Å
231D96Very high94.9Very high68 Ų6857.5 Ų57.536%0.36428%0.278SS..  trans-75.779.8170.6-174.7-10.5000110.1S226 T229 V233 Q234 Y235S226-D231 PolarHBondContact O-N 3.36Å; T229-D231 PolarHBondContact O-N 3.16Å; D231-V233 VanDerWaalsContact C-N 3.26Å; D231-V233 PolarHBondContact O-N 3.14Å; D231-V233 PolarHBondContact OD1-N 3.39Å; D231-Q234 HydrophobicContact CB-CB 4.37Å; D231-Q234 VanDerWaalsContact CG-CB 3.43Å; D231-Q234 PolarHBondContact O-N 2.58Å; D231-Q234 WeakPolarHBondContact OD1-CB 3.38Å; D231-Q234 PolarHBondContact OD1-N 3.2Å; D231-Q234 VanDerWaalsContact OD2-CB 3.27Å; D231-Q234 WeakPolarHBondContact OD2-CB 3.33Å; D231-Y235 VanDerWaalsContact O-CB 3.28Å; D231-Y235 WeakPolarHBondContact O-CB 3.31Å; D231-Y235 PolarHBondContact O-N 2.9Å
232Y92.8Very high94.8Very high51 Ų5163.7 Ų63.720%0.230%0.303CS..Hα-helixtrans-63.3-32.7-178.762.5-91.9000113.2C230 Y235 F236 M258 V262 W285C230-Y232 VanDerWaalsContact C-N 3.26Å; C230-Y232 PolarHBondContact O-N 3.25Å; Y232-Y235 PolarHBondContact O-N 2.75Å; Y232-F236 WeakPolarHBondContact O-CD2 3.26Å; Y232-F236 PolarHBondContact O-N 3.36Å; Y232-M258 VanDerWaalsContact N-CE 3.33Å; Y232-V262 VanDerWaalsContact CB-CG2 3.44Å; Y232-V262 HydrophobicContact CD1-CG1 3.91Å; Y232-V262 HydrophobicContact CD1-CG2 3.78Å; Y232-V262 HydrophobicContact CE1-CG1 4.19Å; Y232-V262 HydrophobicContact CG-CG1 4.1Å; Y232-V262 HydrophobicContact CG-CG2 3.8Å; Y232-W285 HydrophobicContact CD2-CB 4.21Å; Y232-W285 WeakPolarHBondContact CD2-O 3.4Å; Y232-W285 HydrophobicContact CE2-CB 3.52Å; Y232-W285 AromaticContact CE2-CG 3.78Å; Y232-W285 HydrophobicContact CE2-CG 3.78Å
233V93.7Very high94.7Very high57 Ų5761.1 Ų61.135%0.34529%0.292SS..Hα-helixtrans-63.6-50.1178.61780000109.5D231 R237D231-V233 VanDerWaalsContact C-N 3.26Å; D231-V233 PolarHBondContact O-N 3.14Å; D231-V233 PolarHBondContact OD1-N 3.39Å; V233-R237 WeakPolarHBondContact O-CB 3.4Å; V233-R237 PolarHBondContact O-N 3.49Å
234Q95.1Very high94.5Very high51 Ų5163.5 Ų63.524%0.23831%0.307CS..Hα-helixtrans-71.9-34.4178.8-171.255.328.600112.1S226 D231 S238S226-Q234 WeakPolarHBondContact OG-CG 3.42Å; D231-Q234 HydrophobicContact CB-CB 4.37Å; D231-Q234 VanDerWaalsContact CG-CB 3.43Å; D231-Q234 PolarHBondContact O-N 2.58Å; D231-Q234 WeakPolarHBondContact OD1-CB 3.38Å; D231-Q234 PolarHBondContact OD1-N 3.2Å; D231-Q234 VanDerWaalsContact OD2-CB 3.27Å; D231-Q234 WeakPolarHBondContact OD2-CB 3.33Å; Q234-S238 PolarHBondContact NE2-OG 3.49Å; Q234-S238 WeakPolarHBondContact O-CB 3.28Å; Q234-S238 PolarHBondContact O-N 2.93Å; Q234-S238 PolarHBondContact O-OG 2.99Å
235Y95.4Very high94.4Very high0 Ų064.5 Ų64.50%031%0.312CS..Hα-helixtrans-57.8-61.6176.2-177.1-94.8000111.9L196 L223 F227 D231 Y232 R237 S238 I239 A251 H254 V255 M258L196-Y235 HydrophobicContact CD1-CE2 4.29Å; L223-Y235 HydrophobicContact CD1-CD2 3.64Å; L223-Y235 HydrophobicContact CD1-CE2 3.92Å; L223-Y235 HydrophobicContact CD1-CG 4.27Å; L223-Y235 HydrophobicContact CD2-CE2 4.27Å; L223-Y235 HydrophobicContact CG-CD2 4Å; L223-Y235 HydrophobicContact CG-CE2 3.91Å; F227-Y235 HydrophobicContact CB-CD2 4.07Å; F227-Y235 HydrophobicContact CB-CE2 4.05Å; F227-Y235 HydrophobicContact CD2-CD2 4.33Å; F227-Y235 AromaticContact CD2-CE2 3.82Å; F227-Y235 HydrophobicContact CD2-CE2 3.82Å; F227-Y235 HydrophobicContact CG-CE2 4.38Å; D231-Y235 VanDerWaalsContact O-CB 3.28Å; D231-Y235 WeakPolarHBondContact O-CB 3.31Å; D231-Y235 PolarHBondContact O-N 2.9Å; Y232-Y235 PolarHBondContact O-N 2.75Å; Y235-R237 VanDerWaalsContact C-N 3.34Å; Y235-R237 PolarHBondContact O-N 3.27Å; Y235-S238 PolarHBondContact O-N 2.85Å; Y235-I239 HydrophobicContact CD1-CD1 3.87Å; Y235-I239 HydrophobicContact CE1-CD1 3.38Å; Y235-I239 HydrophobicContact CE2-CD1 4.27Å; Y235-I239 HydrophobicContact CG-CD1 4.48Å; Y235-I239 WeakPolarHBondContact O-CG1 3.47Å; Y235-I239 PolarHBondContact O-N 3.34Å; Y235-I239 VanDerWaalsContact O-N 3.15Å; Y235-A251 PolarHBondContact OH-O 2.87Å; Y235-H254 WeakPolarHBondContact OH-CB 3.31Å; Y235-V255 HydrophobicContact CE1-CG2 4.22Å; Y235-M258 HydrophobicContact CD1-CB 4.42Å; Y235-M258 HydrophobicContact CD1-CG 3.93Å; Y235-M258 HydrophobicContact CE1-CB 4.19Å; Y235-M258 HydrophobicContact CE1-CG 4.2Å; Y235-M258 HydrophobicContact CG-CE 4.22Å; Y235-M258 HydrophobicContact CG-CG 4.29Å
236F93.2Very high94.3Very high33 Ų3360.8 Ų60.815%0.14529%0.293CS..Hα-helixtrans-64.8-37.8-178.4-66.3-58.4000112.3Y232 S238 K240 V255 M258 R259 W285 L286Y232-F236 WeakPolarHBondContact O-CD2 3.26Å; Y232-F236 PolarHBondContact O-N 3.36Å; F236-S238 PolarHBondContact O-N 2.93Å; F236-K240 WeakPolarHBondContact O-CB 3.49Å; F236-K240 PolarHBondContact O-N 3.33Å; F236-K240 VanDerWaalsContact O-N 3.07Å; F236-V255 HydrophobicContact CE1-CG1 4.09Å; F236-V255 HydrophobicContact CE1-CG2 4.33Å; F236-M258 HydrophobicContact CZ-CG 4.31Å; F236-R259 HydrophobicContact CZ-CG 4.05Å; F236-W285 WeakPolarHBondContact CE2-O 3.3Å; F236-L286 VanDerWaalsContact CZ-O 3.3Å; F236-L286 WeakPolarHBondContact CZ-O 3.48Å
237R93.8Very high94.3Very high121 Ų12160.7 Ų60.746%0.45729%0.292SS..Hα-helixtrans-63.7-40.2176.7-175.3-172.1-64.4146.2-6.3112V233 Y235 K241V233-R237 WeakPolarHBondContact O-CB 3.4Å; V233-R237 PolarHBondContact O-N 3.49Å; Y235-R237 VanDerWaalsContact C-N 3.34Å; Y235-R237 PolarHBondContact O-N 3.27Å; R237-K241 HydrophobicContact CG-CD 4.06Å; R237-K241 WeakPolarHBondContact O-CB 3.5Å; R237-K241 PolarHBondContact O-N 3.45Å; R237-K241 VanDerWaalsContact O-N 3.08Å
238S94.6Very high94.2Very high5 Ų561.8 Ų61.84%0.03530%0.302CS..Hα-helixtrans-66.9-45.1-179.8-61.70000111.1Q234 Y235 F236 K240 K241 K242 A243Q234-S238 PolarHBondContact NE2-OG 3.49Å; Q234-S238 WeakPolarHBondContact O-CB 3.28Å; Q234-S238 PolarHBondContact O-N 2.93Å; Q234-S238 PolarHBondContact O-OG 2.99Å; Y235-S238 PolarHBondContact O-N 2.85Å; F236-S238 PolarHBondContact O-N 2.93Å; S238-K240 PolarHBondContact O-N 3.17Å; S238-K241 PolarHBondContact O-N 3.2Å; S238-K242 WeakPolarHBondContact O-CA 3.27Å; S238-K242 WeakPolarHBondContact O-CB 3.21Å; S238-K242 PolarHBondContact O-N 3.34Å; S238-A243 PolarHBondContact O-N 3.48Å
239I93.2Very high94.1Very high31 Ų3156.3 Ų56.316%0.15928%0.278CS..Hα-helixtrans-57.8-51.1176-63.9169000110.2L223 Y235 K241 A243 A248 A251L223-I239 HydrophobicContact CD1-CD1 4.39Å; L223-I239 HydrophobicContact CD1-CG1 3.9Å; L223-I239 HydrophobicContact CD2-CG1 4.3Å; Y235-I239 HydrophobicContact CD1-CD1 3.87Å; Y235-I239 HydrophobicContact CE1-CD1 3.38Å; Y235-I239 HydrophobicContact CE2-CD1 4.27Å; Y235-I239 HydrophobicContact CG-CD1 4.48Å; Y235-I239 WeakPolarHBondContact O-CG1 3.47Å; Y235-I239 PolarHBondContact O-N 3.34Å; Y235-I239 VanDerWaalsContact O-N 3.15Å; I239-K241 PolarHBondContact O-N 3.23Å; I239-A243 VanDerWaalsContact O-CB 3.3Å; I239-A243 WeakPolarHBondContact O-CB 3.41Å; I239-A248 HydrophobicContact CG2-CB 4.26Å; I239-A251 HydrophobicContact CD1-CB 3.66Å; I239-A251 HydrophobicContact CG1-CB 3.83Å
240K90.7Very high94.1Very high163 Ų16352.4 Ų52.471%0.70925%0.253SS*.Hα-helixtrans-66.1-33.7-175.8-173.2166.7-174.21570114.5F236 S238 E289F236-K240 WeakPolarHBondContact O-CB 3.49Å; F236-K240 PolarHBondContact O-N 3.33Å; F236-K240 VanDerWaalsContact O-N 3.07Å; S238-K240 PolarHBondContact O-N 3.17Å; K240-E289 IonicContact NZ-OE1 3.99Å
241K93Very high94Very high164 Ų16450.8 Ų50.871%0.71324%0.243SC*.Hα-helixtrans-106.1-21.6-169.9-66.2-169.4176-1720115.1R237 S238 I239R237-K241 HydrophobicContact CG-CD 4.06Å; R237-K241 WeakPolarHBondContact O-CB 3.5Å; R237-K241 PolarHBondContact O-N 3.45Å; R237-K241 VanDerWaalsContact O-N 3.08Å; S238-K241 PolarHBondContact O-N 3.2Å; I239-K241 PolarHBondContact O-N 3.23Å
242K93.6Very high93.6Very high142 Ų14251.6 Ų51.662%0.61725%0.247SC*.Hα-helixtrans-131.3-21.7-166.9-58.9-175.5179.1-177.30114.5F219 S238F219-K242 HydrophobicContact CD2-CB 3.99Å; F219-K242 HydrophobicContact CE2-CB 4.06Å; S238-K242 WeakPolarHBondContact O-CA 3.27Å; S238-K242 WeakPolarHBondContact O-CB 3.21Å; S238-K242 PolarHBondContact O-N 3.34Å
243A93.9Very high93.4Very high24 Ų2454.5 Ų54.520%0.19826%0.258CS..  trans-69.4139-178.200000110.5F219 S238 I239 Q247 A248F219-A243 HydrophobicContact CE1-CB 4.2Å; F219-A243 HydrophobicContact CE2-CB 3.93Å; F219-A243 HydrophobicContact CZ-CB 3.5Å; S238-A243 PolarHBondContact O-N 3.48Å; I239-A243 VanDerWaalsContact O-CB 3.3Å; I239-A243 WeakPolarHBondContact O-CB 3.41Å; A243-Q247 HydrophobicContact CB-CB 4.12Å; A243-A248 HydrophobicContact CB-CB 4.03Å
244T94.4Very high93.3Very high49 Ų4951.9 Ų51.930%0.30124%0.242SC..  trans-67164.4159.572.30000109.5L246 Q247 A248T244-L246 VanDerWaalsContact C-N 3.34Å; T244-L246 PolarHBondContact O-N 3.5Å; T244-Q247 PolarHBondContact O-N 3.03Å; T244-Q247 VanDerWaalsContact OG1-CG 3.28Å; T244-Q247 WeakPolarHBondContact OG1-CG 3.34Å; T244-Q247 PolarHBondContact OG1-N 3.5Å; T244-A248 WeakPolarHBondContact O-CB 3.31Å; T244-A248 PolarHBondContact O-N 3.28Å
245F93.3Very high93.1Very high57 Ų5750 Ų5025%0.2524%0.235CC..Hα-helixtrans-53.1-49.4179.1176.9-93.9000112.6Y142 Y145 Q247 A248 C249 P323 V328Y142-F245 HydrophobicContact CD2-CE1 4Å; Y142-F245 HydrophobicContact CD2-CZ 4.45Å; Y145-F245 HydrophobicContact CD1-CE2 4.45Å; Y145-F245 HydrophobicContact CD1-CZ 4.01Å; Y145-F245 HydrophobicContact CE1-CZ 4.47Å; F245-Q247 PolarHBondContact O-N 3.41Å; F245-A248 WeakPolarHBondContact O-CB 3.46Å; F245-A248 PolarHBondContact O-N 2.98Å; F245-C249 VanDerWaalsContact CE1-SG 3.51Å; F245-C249 PolarHBondContact O-N 2.93Å; F245-C249 PolarHBondContact O-SG 3.18Å; F245-P323 HydrophobicContact CD2-CG 3.9Å; F245-P323 HydrophobicContact CE2-CG 3.55Å; F245-P323 HydrophobicContact CZ-CG 3.89Å; F245-V328 HydrophobicContact CD1-CB 4.18Å; F245-V328 HydrophobicContact CD1-CG1 3.55Å; F245-V328 HydrophobicContact CD1-CG2 3.47Å; F245-V328 VanDerWaalsContact CD1-CG2 3.47Å; F245-V328 HydrophobicContact CE1-CB 4.46Å; F245-V328 HydrophobicContact CE1-CG1 4.13Å; F245-V328 HydrophobicContact CE1-CG2 3.45Å; F245-V328 VanDerWaalsContact CE1-CG2 3.45Å; F245-V328 HydrophobicContact CG-CG1 4.4Å; F245-V328 HydrophobicContact CG-CG2 4.13Å; F245-V328 HydrophobicContact CZ-CG2 4.09Å
246L95.7Very high92.9Very high4 Ų455.1 Ų55.12%0.02126%0.261CS..Hα-helixtrans-67.9-36-179-65.2-179.7000112.6R138 I141 Y190 T244 A248 C249 L250 V328R138-L246 HydrophobicContact CB-CD1 3.94Å; R138-L246 HydrophobicContact CG-CD1 3.71Å; I141-L246 HydrophobicContact CB-CD2 4.1Å; I141-L246 HydrophobicContact CG2-CB 3.91Å; I141-L246 HydrophobicContact CG2-CD2 3.74Å; I141-L246 HydrophobicContact CG2-CG 4.38Å; I141-L246 WeakPolarHBondContact CG2-O 3.48Å; Y190-L246 HydrophobicContact CE1-CB 3.85Å; Y190-L246 HydrophobicContact CE2-CD1 4.46Å; Y190-L246 WeakPolarHBondContact OH-CD1 3.3Å; T244-L246 VanDerWaalsContact C-N 3.34Å; T244-L246 PolarHBondContact O-N 3.5Å; L246-A248 VanDerWaalsContact C-N 3.31Å; L246-A248 PolarHBondContact O-N 3.24Å; L246-C249 PolarHBondContact O-N 2.98Å; L246-L250 PolarHBondContact O-N 3.39Å; L246-V328 HydrophobicContact CD1-CG1 4.37Å; L246-V328 HydrophobicContact CD2-CG1 3.84Å; L246-V328 HydrophobicContact CG-CG1 3.94Å
247Q96.6Very high92.9Very high5 Ų556.4 Ų56.42%0.02327%0.272CS..Hα-helixtrans-63.9-38.5172.5-70.1176.7-26.800111.7S189 Y190 L193 F219 A243 T244 F245 L250 A251S189-Q247 PolarHBondContact OG-NE2 3.49Å; Y190-Q247 HydrophobicContact CD1-CG 4.32Å; Y190-Q247 HydrophobicContact CE1-CG 3.87Å; L193-Q247 HydrophobicContact CD1-CB 3.73Å; L193-Q247 HydrophobicContact CD1-CG 3.61Å; F219-Q247 HydrophobicContact CD1-CB 4.39Å; F219-Q247 HydrophobicContact CD1-CG 4.32Å; F219-Q247 HydrophobicContact CE1-CB 3.87Å; F219-Q247 HydrophobicContact CE1-CG 4.28Å; A243-Q247 HydrophobicContact CB-CB 4.12Å; T244-Q247 PolarHBondContact O-N 3.03Å; T244-Q247 VanDerWaalsContact OG1-CG 3.28Å; T244-Q247 WeakPolarHBondContact OG1-CG 3.34Å; T244-Q247 PolarHBondContact OG1-N 3.5Å; F245-Q247 PolarHBondContact O-N 3.41Å; Q247-L250 PolarHBondContact O-N 2.84Å; Q247-A251 WeakPolarHBondContact O-CB 3.45Å; Q247-A251 PolarHBondContact O-N 3.39Å
248A93.7Very high92.8Very high30 Ų3050.6 Ų50.625%0.24825%0.25CC..Hα-helixtrans-66.3-38.8175.900000111.9I239 A243 T244 F245 L246 L250 A251 N252I239-A248 HydrophobicContact CG2-CB 4.26Å; A243-A248 HydrophobicContact CB-CB 4.03Å; T244-A248 WeakPolarHBondContact O-CB 3.31Å; T244-A248 PolarHBondContact O-N 3.28Å; F245-A248 WeakPolarHBondContact O-CB 3.46Å; F245-A248 PolarHBondContact O-N 2.98Å; L246-A248 VanDerWaalsContact C-N 3.31Å; L246-A248 PolarHBondContact O-N 3.24Å; A248-L250 PolarHBondContact O-N 2.89Å; A248-A251 PolarHBondContact O-N 3.21Å; A248-N252 WeakPolarHBondContact O-CB 3.45Å; A248-N252 PolarHBondContact O-N 2.97Å
249C93.3Very high92.8Very high7 Ų752.7 Ų52.75%0.04726%0.257CS..Hα-helixtrans-57.9-47.9174-61.80000111.6I141 Y145 F245 L246 N252I141-C249 HydrophobicContact CG2-CB 3.84Å; Y145-C249 VanDerWaalsContact CB-SG 3.54Å; F245-C249 VanDerWaalsContact CE1-SG 3.51Å; F245-C249 PolarHBondContact O-N 2.93Å; F245-C249 PolarHBondContact O-SG 3.18Å; L246-C249 PolarHBondContact O-N 2.98Å; C249-N252 WeakPolarHBondContact O-CB 3.39Å; C249-N252 PolarHBondContact O-N 3.12Å
250L95.2Very high92.8Very high5 Ų552.7 Ų52.73%0.02626%0.258CS..Hα-helixtrans-65.7-43.7177.3-69.2173000112.1I141 I164 Y190 L193 L194 L246 Q247 A248 N252 Y253I141-L250 HydrophobicContact CD1-CD1 3.96Å; I141-L250 HydrophobicContact CD1-CG 4.43Å; I141-L250 HydrophobicContact CG1-CD1 4.3Å; I141-L250 HydrophobicContact CG1-CD2 4.09Å; I141-L250 HydrophobicContact CG1-CG 4.28Å; I141-L250 HydrophobicContact CG2-CD1 4.46Å; I141-L250 HydrophobicContact CG2-CD2 4.27Å; I141-L250 HydrophobicContact CG2-CG 3.91Å; I164-L250 HydrophobicContact CD1-CD2 4.31Å; Y190-L250 HydrophobicContact CD1-CD1 3.62Å; Y190-L250 HydrophobicContact CG-CD1 3.93Å; L193-L250 HydrophobicContact CB-CB 3.85Å; L193-L250 HydrophobicContact CB-CD1 3.96Å; L194-L250 HydrophobicContact CB-CD2 4.23Å; L194-L250 HydrophobicContact CD1-CD2 3.76Å; L246-L250 PolarHBondContact O-N 3.39Å; Q247-L250 PolarHBondContact O-N 2.84Å; A248-L250 PolarHBondContact O-N 2.89Å; L250-N252 PolarHBondContact O-N 3.44Å; L250-Y253 VanDerWaalsContact O-CB 3.25Å; L250-Y253 WeakPolarHBondContact O-CB 3.45Å; L250-Y253 PolarHBondContact O-N 2.89Å
251A92.6Very high93Very high0 Ų048.7 Ų48.70%024%0.239CC..Hα-helixtrans-65.3-29178.200000112.8L223 Y235 I239 Q247 A248 Y253 H254L223-A251 HydrophobicContact CD2-CB 3.72Å; Y235-A251 PolarHBondContact OH-O 2.87Å; I239-A251 HydrophobicContact CD1-CB 3.66Å; I239-A251 HydrophobicContact CG1-CB 3.83Å; Q247-A251 WeakPolarHBondContact O-CB 3.45Å; Q247-A251 PolarHBondContact O-N 3.39Å; A248-A251 PolarHBondContact O-N 3.21Å; A251-Y253 PolarHBondContact O-N 3.33Å; A251-H254 PolarHBondContact O-N 2.88Å; A251-H254 VanDerWaalsContact O-N 3.16Å
252N88.2Confident93Very high84 Ų8441 Ų4145%0.44921%0.206SC..Hα-helixtrans-61.8-32.8177.5-17163.6000112.1A248 C249 L250 H254 V255A248-N252 WeakPolarHBondContact O-CB 3.45Å; A248-N252 PolarHBondContact O-N 2.97Å; C249-N252 WeakPolarHBondContact O-CB 3.39Å; C249-N252 PolarHBondContact O-N 3.12Å; L250-N252 PolarHBondContact O-N 3.44Å; N252-H254 PolarHBondContact O-N 2.66Å; N252-H254 VanDerWaalsContact O-N 3.16Å; N252-V255 WeakPolarHBondContact O-CB 3.38Å; N252-V255 PolarHBondContact O-N 2.83Å; N252-V255 VanDerWaalsContact O-N 3.1Å
253Y88.3Confident92.9Very high112 Ų11234.3 Ų34.344%0.43918%0.177SC..Hα-helixtrans-55.2-33.5176-171.4-106.8000112.7L250 A251L250-Y253 VanDerWaalsContact O-CB 3.25Å; L250-Y253 WeakPolarHBondContact O-CB 3.45Å; L250-Y253 PolarHBondContact O-N 2.89Å; A251-Y253 PolarHBondContact O-N 3.33Å
254H91.4Very high92.8Very high2 Ų238.4 Ų38.41%0.00919%0.193CC..THydrogen-bonded Turntrans-94.1-2.7-176.6-63.6-75000114L193 L194 L196 D197 F227 Y235 A251 N252 L256 T257 M258L193-H254 PolarHBondContact O-CD2 3.49Å; L193-H254 PolarHBondContact O-NE2 3.09Å; L194-H254 PolarHBondContact O-NE2 3.07Å; L196-H254 HydrophobicContact CD1-CB 4.3Å; D197-H254 IonicContact OD1-CE1 3.5Å; F227-H254 HydrophobicContact CD2-CB 4.39Å; F227-H254 HydrophobicContact CE2-CB 3.86Å; F227-H254 HydrophobicContact CZ-CB 4.37Å; Y235-H254 WeakPolarHBondContact OH-CB 3.31Å; A251-H254 PolarHBondContact O-N 2.88Å; A251-H254 VanDerWaalsContact O-N 3.16Å; N252-H254 PolarHBondContact O-N 2.66Å; N252-H254 VanDerWaalsContact O-N 3.16Å; H254-L256 PolarHBondContact O-N 3.32Å; H254-T257 PolarHBondContact O-N 3.2Å; H254-M258 PolarHBondContact O-N 3.15Å
255V91.8Very high92.7Very high13 Ų1338.6 Ų38.68%0.07920%0.2CC..Hα-helixtrans-63.3-43.9-176.1164.50000112Y235 F236 N252 T257 M258 R259Y235-V255 HydrophobicContact CE1-CG2 4.22Å; F236-V255 HydrophobicContact CE1-CG1 4.09Å; F236-V255 HydrophobicContact CE1-CG2 4.33Å; N252-V255 WeakPolarHBondContact O-CB 3.38Å; N252-V255 PolarHBondContact O-N 2.83Å; N252-V255 VanDerWaalsContact O-N 3.1Å; V255-T257 PolarHBondContact O-N 3.09Å; V255-M258 PolarHBondContact O-N 3.25Å; V255-R259 HydrophobicContact CG1-CG 4.33Å; V255-R259 VanDerWaalsContact CG1-CZ 3.45Å; V255-R259 WeakPolarHBondContact O-CB 3.36Å; V255-R259 WeakPolarHBondContact O-CG 3.46Å; V255-R259 PolarHBondContact O-N 3.42Å
256L90.5Very high92.7Very high106 Ų10636.7 Ų36.756%0.55519%0.192SC*.Hα-helixtrans-64-42.6179.8-179.160.6000111.5H254 M258 R259 T260 F297H254-L256 PolarHBondContact O-N 3.32Å; L256-M258 VanDerWaalsContact C-N 3.34Å; L256-M258 PolarHBondContact O-N 2.94Å; L256-R259 PolarHBondContact O-N 2.78Å; L256-T260 WeakPolarHBondContact O-CB 3.34Å; L256-T260 PolarHBondContact O-N 3.41Å; L256-T260 PolarHBondContact O-OG1 2.82Å; L256-F297 HydrophobicContact CD1-CD2 4.37Å; L256-F297 HydrophobicContact CD1-CE2 3.59Å; L256-F297 HydrophobicContact CD1-CZ 4.39Å
257T92.4Very high92.5Very high60 Ų6041.3 Ų41.337%0.36821%0.212SC..Hα-helixtrans-59.9-45.2174.5-57.30000111F227 H254 V255 T260 R261F227-T257 HydrophobicContact CE2-CG2 4.39Å; F227-T257 HydrophobicContact CZ-CG2 3.95Å; H254-T257 PolarHBondContact O-N 3.2Å; V255-T257 PolarHBondContact O-N 3.09Å; T257-T260 PolarHBondContact O-N 3.22Å; T257-R261 VanDerWaalsContact O-CG 3.29Å; T257-R261 WeakPolarHBondContact O-CG 3.35Å; T257-R261 PolarHBondContact O-N 3.06Å
258M92.9Very high92.3Very high0 Ų050.2 Ų50.20%025%0.25CS..Hα-helixtrans-62.2-49.7177-167.763.6169.100111.7F227 Y232 Y235 F236 H254 V255 L256 T260 R261 V262F227-M258 HydrophobicContact CD2-CB 4.47Å; F227-M258 HydrophobicContact CD2-SD 3.96Å; F227-M258 HydrophobicContact CE2-CB 4.31Å; F227-M258 HydrophobicContact CE2-SD 4.37Å; Y232-M258 VanDerWaalsContact N-CE 3.33Å; Y235-M258 HydrophobicContact CD1-CB 4.42Å; Y235-M258 HydrophobicContact CD1-CG 3.93Å; Y235-M258 HydrophobicContact CE1-CB 4.19Å; Y235-M258 HydrophobicContact CE1-CG 4.2Å; Y235-M258 HydrophobicContact CG-CE 4.22Å; Y235-M258 HydrophobicContact CG-CG 4.29Å; F236-M258 HydrophobicContact CZ-CG 4.31Å; H254-M258 PolarHBondContact O-N 3.15Å; V255-M258 PolarHBondContact O-N 3.25Å; L256-M258 VanDerWaalsContact C-N 3.34Å; L256-M258 PolarHBondContact O-N 2.94Å; M258-T260 VanDerWaalsContact C-N 3.29Å; M258-T260 PolarHBondContact O-N 3.2Å; M258-R261 PolarHBondContact O-N 2.93Å; M258-V262 HydrophobicContact CG-CG2 4.41Å; M258-V262 WeakPolarHBondContact O-CG2 3.47Å; M258-V262 PolarHBondContact O-N 3.38Å
259R94.2Very high92.2Very high49 Ų4952.6 Ų52.619%0.18527%0.271CS..Hα-helixtrans-55.7-44.5177.4-75.1175.2174.1157.51.9111.9F236 V255 L256 V262 L263 L286 G287 F288 F297F236-R259 HydrophobicContact CZ-CG 4.05Å; V255-R259 HydrophobicContact CG1-CG 4.33Å; V255-R259 VanDerWaalsContact CG1-CZ 3.45Å; V255-R259 WeakPolarHBondContact O-CB 3.36Å; V255-R259 WeakPolarHBondContact O-CG 3.46Å; V255-R259 PolarHBondContact O-N 3.42Å; L256-R259 PolarHBondContact O-N 2.78Å; R259-V262 PolarHBondContact O-N 2.64Å; R259-L263 WeakPolarHBondContact O-CB 3.35Å; R259-L263 PolarHBondContact O-N 3.01Å; R259-L286 HydrophobicContact CB-CD2 4.32Å; R259-L286 HydrophobicContact CG-CB 4.38Å; R259-L286 HydrophobicContact CG-CD2 4.48Å; R259-L286 WeakPolarHBondContact CG-O 3.49Å; R259-L286 PolarHBondContact NE-O 3.45Å; R259-G287 PolarHBondContact NH2-O 2.95Å; R259-F288 HydrophobicContact CG-CE2 4.4Å; R259-F297 HydrophobicContact CB-CE1 3.83Å; R259-F297 HydrophobicContact CB-CE2 4.45Å; R259-F297 HydrophobicContact CB-CZ 3.68Å
260T92.9Very high92.1Very high31 Ų3157.1 Ų57.119%0.1929%0.287CS..Hα-helixtrans-61.5-49.1177.9-60.80000111.4L256 T257 M258 V262 L263 M264 F301L256-T260 WeakPolarHBondContact O-CB 3.34Å; L256-T260 PolarHBondContact O-N 3.41Å; L256-T260 PolarHBondContact O-OG1 2.82Å; T257-T260 PolarHBondContact O-N 3.22Å; M258-T260 VanDerWaalsContact C-N 3.29Å; M258-T260 PolarHBondContact O-N 3.2Å; T260-V262 PolarHBondContact O-N 3.36Å; T260-L263 PolarHBondContact O-N 3.45Å; T260-M264 HydrophobicContact CG2-CE 3.74Å; T260-M264 HydrophobicContact CG2-SD 4.33Å; T260-M264 WeakPolarHBondContact O-CB 3.41Å; T260-M264 VanDerWaalsContact O-CG 3.31Å; T260-M264 WeakPolarHBondContact O-CG 3.21Å; T260-M264 PolarHBondContact O-N 2.92Å; T260-F301 HydrophobicContact CG2-CE1 3.77Å; T260-F301 HydrophobicContact CG2-CZ 3.73Å
261R94.5Very high91.9Very high78 Ų7858.7 Ų58.729%0.29431%0.305SS..Hα-helixtrans-60.8-43.8178.7-73170.263.5-158-4.3112.1F227 H228 T257 M258 A265F227-R261 VanDerWaalsContact O-CZ 3.26Å; F227-R261 PolarHBondContact O-NH1 3.33Å; F227-R261 PolarHBondContact O-NH2 2.93Å; H228-R261 PolarHBondContact O-NH2 3.45Å; T257-R261 VanDerWaalsContact O-CG 3.29Å; T257-R261 WeakPolarHBondContact O-CG 3.35Å; T257-R261 PolarHBondContact O-N 3.06Å; M258-R261 PolarHBondContact O-N 2.93Å; R261-A265 WeakPolarHBondContact O-CB 3.3Å; R261-A265 PolarHBondContact O-N 2.93Å
262V92.9Very high91.6Very high3 Ų369.4 Ų69.42%0.01835%0.345CS..Hα-helixtrans-62.9-49.2177.8174.60000110.6Y232 M258 R259 T260 M264 A265 L266 L286Y232-V262 VanDerWaalsContact CB-CG2 3.44Å; Y232-V262 HydrophobicContact CD1-CG1 3.91Å; Y232-V262 HydrophobicContact CD1-CG2 3.78Å; Y232-V262 HydrophobicContact CE1-CG1 4.19Å; Y232-V262 HydrophobicContact CG-CG1 4.1Å; Y232-V262 HydrophobicContact CG-CG2 3.8Å; M258-V262 HydrophobicContact CG-CG2 4.41Å; M258-V262 WeakPolarHBondContact O-CG2 3.47Å; M258-V262 PolarHBondContact O-N 3.38Å; R259-V262 PolarHBondContact O-N 2.64Å; T260-V262 PolarHBondContact O-N 3.36Å; V262-M264 VanDerWaalsContact C-N 3.34Å; V262-M264 PolarHBondContact O-N 3.14Å; V262-A265 WeakPolarHBondContact O-CB 3.48Å; V262-A265 PolarHBondContact O-N 2.8Å; V262-A265 VanDerWaalsContact O-N 3.14Å; V262-L266 HydrophobicContact CG1-CD1 3.98Å; V262-L266 HydrophobicContact CG1-CG 4.37Å; V262-L266 WeakPolarHBondContact O-CG 3.4Å; V262-L266 PolarHBondContact O-N 2.87Å; V262-L286 HydrophobicContact CB-CD2 3.99Å; V262-L286 HydrophobicContact CG1-CD2 3.82Å
263L92.1Very high91.6Very high1 Ų172.7 Ų72.71%0.00535%0.352CS..Hα-helixtrans-63.9-39.7-178.7-172.658.3000112R259 T260 L266 K267 L286 F297 F301 V303R259-L263 WeakPolarHBondContact O-CB 3.35Å; R259-L263 PolarHBondContact O-N 3.01Å; T260-L263 PolarHBondContact O-N 3.45Å; L263-L266 PolarHBondContact O-N 2.85Å; L263-K267 WeakPolarHBondContact O-CB 3.43Å; L263-K267 PolarHBondContact O-N 3.38Å; L263-L286 HydrophobicContact CB-CD2 4.38Å; L263-F297 HydrophobicContact CB-CE1 4.33Å; L263-F297 HydrophobicContact CD2-CD1 3.97Å; L263-F297 HydrophobicContact CD2-CE1 3.63Å; L263-F301 HydrophobicContact CD2-CB 3.64Å; L263-F301 HydrophobicContact CD2-CD1 4.39Å; L263-F301 HydrophobicContact CD2-CD2 3.6Å; L263-F301 HydrophobicContact CD2-CE2 4.36Å; L263-F301 HydrophobicContact CD2-CG 3.61Å; L263-F301 HydrophobicContact CG-CB 4.38Å; L263-F301 HydrophobicContact CG-CG 4.46Å; L263-V303 HydrophobicContact CD1-CG2 4.12Å
264M92.7Very high91.6Very high110 Ų11068 Ų6854%0.54234%0.335SS..Hα-helixtrans-62.9-41.1173.1-72.2-171.9-17900112.2T260 V262 K267 K268 F301T260-M264 HydrophobicContact CG2-CE 3.74Å; T260-M264 HydrophobicContact CG2-SD 4.33Å; T260-M264 WeakPolarHBondContact O-CB 3.41Å; T260-M264 VanDerWaalsContact O-CG 3.31Å; T260-M264 WeakPolarHBondContact O-CG 3.21Å; T260-M264 PolarHBondContact O-N 2.92Å; V262-M264 VanDerWaalsContact C-N 3.34Å; V262-M264 PolarHBondContact O-N 3.14Å; M264-K267 PolarHBondContact O-N 2.98Å; M264-K268 WeakPolarHBondContact O-CB 3.36Å; M264-K268 PolarHBondContact O-N 2.89Å; M264-F301 HydrophobicContact CE-CE1 3.98Å
265A92.6Very high91.3Very high54 Ų5473.2 Ų73.245%0.44636%0.359SS..Hα-helixtrans-64.1-43.9176.200000111.8R261 V262 K268 A269R261-A265 WeakPolarHBondContact O-CB 3.3Å; R261-A265 PolarHBondContact O-N 2.93Å; V262-A265 WeakPolarHBondContact O-CB 3.48Å; V262-A265 PolarHBondContact O-N 2.8Å; V262-A265 VanDerWaalsContact O-N 3.14Å; A265-K268 PolarHBondContact O-N 3.37Å; A265-A269 WeakPolarHBondContact O-CB 3.26Å; A265-A269 PolarHBondContact O-N 2.94Å
266L92Very high91.2Very high16 Ų1678.6 Ų78.68%0.08438%0.383CS..Hα-helixtrans-62.5-45.4175.4-68.8172.8000111.5V262 L263 K268 A269 Y270 I274 L282 W285V262-L266 HydrophobicContact CG1-CD1 3.98Å; V262-L266 HydrophobicContact CG1-CG 4.37Å; V262-L266 WeakPolarHBondContact O-CG 3.4Å; V262-L266 PolarHBondContact O-N 2.87Å; L263-L266 PolarHBondContact O-N 2.85Å; L266-K268 VanDerWaalsContact C-N 3.25Å; L266-K268 PolarHBondContact O-N 2.91Å; L266-A269 PolarHBondContact O-N 3.02Å; L266-A269 VanDerWaalsContact O-N 3.14Å; L266-Y270 HydrophobicContact CB-CD2 4.5Å; L266-Y270 HydrophobicContact CD2-CD2 4.17Å; L266-Y270 HydrophobicContact CD2-CE2 3.76Å; L266-Y270 WeakPolarHBondContact O-CD2 3.29Å; L266-Y270 PolarHBondContact O-N 3.39Å; L266-I274 HydrophobicContact CB-CD1 4.27Å; L266-L282 HydrophobicContact CD1-CD2 4.05Å; L266-W285 HydrophobicContact CD1-CE3 3.88Å; L266-W285 HydrophobicContact CD1-CZ3 4.34Å; L266-W285 HydrophobicContact CD2-CE3 4.05Å; L266-W285 HydrophobicContact CD2-CZ3 3.87Å
267K90.9Very high91.2Very high102 Ų10274.5 Ų74.544%0.44336%0.362SS..Hα-helixtrans-59.1-39177-171.9174-176.1171.80111.6L263 M264 G271 I274 F301L263-K267 WeakPolarHBondContact O-CB 3.43Å; L263-K267 PolarHBondContact O-N 3.38Å; M264-K267 PolarHBondContact O-N 2.98Å; K267-G271 VanDerWaalsContact O-CA 3.26Å; K267-G271 WeakPolarHBondContact O-CA 3.38Å; K267-G271 PolarHBondContact O-N 3.38Å; K267-I274 HydrophobicContact CB-CD1 4.03Å; K267-F301 PolarHBondContact NZ-O 2.94Å
268K92.7Very high91.2Very high191 Ų19174.4 Ų74.483%0.8336%0.362SS*.Hα-helixtrans-69.1-41.3175.2-173.9175.7179.6179.20112.5M264 A265 L266M264-K268 WeakPolarHBondContact O-CB 3.36Å; M264-K268 PolarHBondContact O-N 2.89Å; A265-K268 PolarHBondContact O-N 3.37Å; L266-K268 VanDerWaalsContact C-N 3.25Å; L266-K268 PolarHBondContact O-N 2.91Å
269A93Very high91.1Very high81 Ų8174.8 Ų74.867%0.66937%0.365SS*.Hα-helixtrans-74.1-45.9-176.200000113.2A265 L266A265-A269 WeakPolarHBondContact O-CB 3.26Å; A265-A269 PolarHBondContact O-N 2.94Å; L266-A269 PolarHBondContact O-N 3.02Å; L266-A269 VanDerWaalsContact O-N 3.14Å
270Y91.3Very high90.9Very high101 Ų10176.9 Ų76.940%0.39638%0.377SS..Hα-helixtrans-89-22.1-177.6-71.1-91.1000112.8L266 R272 Y273 I277L266-Y270 HydrophobicContact CB-CD2 4.5Å; L266-Y270 HydrophobicContact CD2-CD2 4.17Å; L266-Y270 HydrophobicContact CD2-CE2 3.76Å; L266-Y270 WeakPolarHBondContact O-CD2 3.29Å; L266-Y270 PolarHBondContact O-N 3.39Å; Y270-R272 PolarHBondContact O-N 3.43Å; Y270-R272 VanDerWaalsContact O-N 3.13Å; Y270-Y273 WeakPolarHBondContact O-CB 3.28Å; Y270-Y273 PolarHBondContact O-N 3.38Å; Y270-I277 HydrophobicContact CD1-CD1 3.94Å; Y270-I277 HydrophobicContact CD1-CG1 4.42Å; Y270-I277 HydrophobicContact CD2-CD1 3.8Å; Y270-I277 HydrophobicContact CE1-CD1 3.97Å; Y270-I277 HydrophobicContact CE1-CG1 4.42Å; Y270-I277 HydrophobicContact CE2-CD1 3.84Å; Y270-I277 HydrophobicContact CG-CD1 3.85Å
271G89.3Confident90.9Very high39 Ų3977.7 Ų77.740%0.40238%0.381SS..G310 helixtrans53.8-119.6179.600000111.5K267 Y273 I274K267-G271 VanDerWaalsContact O-CA 3.26Å; K267-G271 WeakPolarHBondContact O-CA 3.38Å; K267-G271 PolarHBondContact O-N 3.38Å; G271-Y273 VanDerWaalsContact C-N 3.25Å; G271-Y273 PolarHBondContact O-N 3.22Å; G271-I274 WeakPolarHBondContact O-CG2 3.49Å; G271-I274 PolarHBondContact O-N 3.15Å
272R86.4Confident90.7Very high225 Ų22574.1 Ų74.185%0.84937%0.368SS*.G310 helixtrans-66.9-24.6179.3-65.3-177.5-175.3173.32113Y270 I274 H275Y270-R272 PolarHBondContact O-N 3.43Å; Y270-R272 VanDerWaalsContact O-N 3.13Å; R272-I274 VanDerWaalsContact C-N 3.28Å; R272-I274 PolarHBondContact O-N 3.07Å; R272-H275 PolarHBondContact O-CE1 3.48Å; R272-H275 PolarHBondContact O-ND1 3.48Å
273Y89.1Confident90.7Very high152 Ų15274.3 Ų74.360%0.59637%0.37SS*.G310 helixtrans-82.6-0.7-176.1-58-76.5000113.7Y270 G271 H275 Q276Y270-Y273 WeakPolarHBondContact O-CB 3.28Å; Y270-Y273 PolarHBondContact O-N 3.38Å; G271-Y273 VanDerWaalsContact C-N 3.25Å; G271-Y273 PolarHBondContact O-N 3.22Å; Y273-H275 PolarHBondContact O-N 2.89Å; Y273-Q276 VanDerWaalsContact O-CB 3.29Å; Y273-Q276 WeakPolarHBondContact O-CB 3.47Å; Y273-Q276 PolarHBondContact O-N 2.92Å
274I88.6Confident90.6Very high13 Ų1379.3 Ų79.37%0.06740%0.4CS..G310 helixtrans-59.2-30.8-177.8-168161.9000113.3L266 K267 G271 R272 Q276 I277 V303L266-I274 HydrophobicContact CB-CD1 4.27Å; K267-I274 HydrophobicContact CB-CD1 4.03Å; G271-I274 WeakPolarHBondContact O-CG2 3.49Å; G271-I274 PolarHBondContact O-N 3.15Å; R272-I274 VanDerWaalsContact C-N 3.28Å; R272-I274 PolarHBondContact O-N 3.07Å; I274-Q276 PolarHBondContact O-N 2.93Å; I274-Q276 VanDerWaalsContact O-N 3.17Å; I274-I277 HydrophobicContact CG1-CD1 4.29Å; I274-I277 WeakPolarHBondContact O-CB 3.05Å; I274-I277 PolarHBondContact O-N 3.17Å; I274-I277 VanDerWaalsContact O-N 3.12Å; I274-V303 HydrophobicContact CD1-CG1 4Å; I274-V303 HydrophobicContact CD1-CG2 3.69Å; I274-V303 HydrophobicContact CG1-CG1 3.87Å; I274-V303 HydrophobicContact CG1-CG2 4.39Å; I274-V303 HydrophobicContact CG2-CG1 4.36Å; I274-V303 HydrophobicContact CG2-CG2 4.49Å
275H85.2Confident90.6Very high113 Ų11377.3 Ų77.352%0.52339%0.387SS..G310 helixtrans-67.6-10.4176.667.8-89.5000113.7R272 Y273 I277 P304R272-H275 PolarHBondContact O-CE1 3.48Å; R272-H275 PolarHBondContact O-ND1 3.48Å; Y273-H275 PolarHBondContact O-N 2.89Å; H275-I277 VanDerWaalsContact C-N 3.32Å; H275-P304 HydrophobicContact CB-CG 4.43Å
276Q88.9Confident90.5Very high126 Ų12674.8 Ų74.859%0.58937%0.366SS*.G310 helixtrans-85.8-8.3175.5-57.7-176.1-8.300112.2Y273 I274 P278Y273-Q276 VanDerWaalsContact O-CB 3.29Å; Y273-Q276 WeakPolarHBondContact O-CB 3.47Å; Y273-Q276 PolarHBondContact O-N 2.92Å; I274-Q276 PolarHBondContact O-N 2.93Å; I274-Q276 VanDerWaalsContact O-N 3.17Å; Q276-P278 WeakPolarHBondContact O-CD 3.46Å
277I90.5Very high90.4Very high20 Ų2075.2 Ų75.210%0.10337%0.374CS..SBendtrans-83.1120.8177.3-53.1178.8000108.1Y270 I274 H275 T281 L282 W285Y270-I277 HydrophobicContact CD1-CD1 3.94Å; Y270-I277 HydrophobicContact CD1-CG1 4.42Å; Y270-I277 HydrophobicContact CD2-CD1 3.8Å; Y270-I277 HydrophobicContact CE1-CD1 3.97Å; Y270-I277 HydrophobicContact CE1-CG1 4.42Å; Y270-I277 HydrophobicContact CE2-CD1 3.84Å; Y270-I277 HydrophobicContact CG-CD1 3.85Å; I274-I277 HydrophobicContact CG1-CD1 4.29Å; I274-I277 WeakPolarHBondContact O-CB 3.05Å; I274-I277 PolarHBondContact O-N 3.17Å; I274-I277 VanDerWaalsContact O-N 3.12Å; H275-I277 VanDerWaalsContact C-N 3.32Å; I277-T281 HydrophobicContact CG2-CG2 3.98Å; I277-L282 HydrophobicContact CB-CD2 4.35Å; I277-L282 HydrophobicContact CB-CG 4.33Å; I277-L282 HydrophobicContact CD1-CD2 4.46Å; I277-L282 HydrophobicContact CG2-CD2 3.83Å; I277-L282 HydrophobicContact CG2-CG 3.8Å; I277-W285 HydrophobicContact CD1-CZ3 4.17Å; I277-W285 HydrophobicContact CG2-CH2 4.47Å; I277-W285 HydrophobicContact CG2-CZ3 4.18Å
278P92.4Very high90.2Very high57 Ų5772 Ų7237%0.3736%0.36SS..  trans-59.4145177.5-23.534000112.1Q276 E280 T281 L282Q276-P278 WeakPolarHBondContact O-CD 3.46Å; P278-E280 WeakPolarHBondContact CB-OE2 3.45Å; P278-E280 PolarHBondContact O-N 3.46Å; P278-T281 WeakPolarHBondContact O-CB 3.08Å; P278-T281 PolarHBondContact O-N 3.08Å; P278-L282 PolarHBondContact O-N 3.02Å; P278-L282 VanDerWaalsContact O-N 3.12Å
279V90.3Very high89.9Confident9 Ų971 Ų716%0.05536%0.359CS..Hα-helixtrans-62.4-30.5-178.1-176.20000111.1T281 L282 S283 I291 E306V279-T281 VanDerWaalsContact C-N 3.29Å; V279-T281 PolarHBondContact O-N 2.83Å; V279-L282 PolarHBondContact O-N 3.35Å; V279-S283 VanDerWaalsContact O-CB 3.27Å; V279-S283 WeakPolarHBondContact O-CB 3.36Å; V279-S283 PolarHBondContact O-N 2.7Å; V279-I291 HydrophobicContact CB-CG2 4.43Å; V279-I291 HydrophobicContact CG1-CG2 3.83Å; V279-E306 HydrophobicContact CG2-CB 4.41Å
280E91.5Very high89.6Confident93 Ų9370.5 Ų70.544%0.43535%0.345SS..Hα-helixtrans-62.4-38.3174.9-61.270.7-154.200111.7P278 T284 I291P278-E280 WeakPolarHBondContact CB-OE2 3.45Å; P278-E280 PolarHBondContact O-N 3.46Å; E280-T284 WeakPolarHBondContact O-CB 3.49Å; E280-T284 PolarHBondContact O-N 3.32Å; E280-T284 PolarHBondContact O-OG1 3.4Å; E280-I291 HydrophobicContact CG-CD1 4.18Å
281T92.3Very high89.5Confident47 Ų4769.3 Ų69.329%0.28834%0.344SS..Hα-helixtrans-70.4-45.5177.6-58.80000110I277 P278 V279 S283 T284 W285I277-T281 HydrophobicContact CG2-CG2 3.98Å; P278-T281 WeakPolarHBondContact O-CB 3.08Å; P278-T281 PolarHBondContact O-N 3.08Å; V279-T281 VanDerWaalsContact C-N 3.29Å; V279-T281 PolarHBondContact O-N 2.83Å; T281-S283 PolarHBondContact O-N 3Å; T281-T284 PolarHBondContact O-N 3.3Å; T281-W285 HydrophobicContact CG2-CD2 3.89Å; T281-W285 VanDerWaalsContact CG2-CE2 3.41Å; T281-W285 HydrophobicContact CG2-CE3 4.23Å; T281-W285 HydrophobicContact CG2-CH2 3.77Å; T281-W285 HydrophobicContact CG2-CZ2 3.35Å; T281-W285 HydrophobicContact CG2-CZ3 4.19Å; T281-W285 PolarHBondContact O-N 2.98Å
282L90.9Very high89.6Confident4 Ų472.1 Ų72.12%0.02135%0.35CS..Hα-helixtrans-61-43.8175.4-68.3175.3000111.7L266 I277 P278 V279 T284 W285 L286 V303L266-L282 HydrophobicContact CD1-CD2 4.05Å; I277-L282 HydrophobicContact CB-CD2 4.35Å; I277-L282 HydrophobicContact CB-CG 4.33Å; I277-L282 HydrophobicContact CD1-CD2 4.46Å; I277-L282 HydrophobicContact CG2-CD2 3.83Å; I277-L282 HydrophobicContact CG2-CG 3.8Å; P278-L282 PolarHBondContact O-N 3.02Å; P278-L282 VanDerWaalsContact O-N 3.12Å; V279-L282 PolarHBondContact O-N 3.35Å; L282-T284 VanDerWaalsContact C-N 3.32Å; L282-T284 PolarHBondContact O-N 2.88Å; L282-W285 HydrophobicContact CD2-CE3 4.42Å; L282-W285 PolarHBondContact O-N 3.45Å; L282-L286 VanDerWaalsContact O-CB 3.24Å; L282-L286 WeakPolarHBondContact O-CB 3.49Å; L282-L286 VanDerWaalsContact O-CG 3.24Å; L282-L286 WeakPolarHBondContact O-CG 3.44Å; L282-L286 PolarHBondContact O-N 2.94Å; L282-V303 HydrophobicContact CD1-CG1 4.3Å
283S91.5Very high89.7Confident7 Ų762.3 Ų62.35%0.04932%0.317CS..Hα-helixtrans-56.8-46.5175.7-1790000111.4V279 T281 L286 G287 F288V279-S283 VanDerWaalsContact O-CB 3.27Å; V279-S283 WeakPolarHBondContact O-CB 3.36Å; V279-S283 PolarHBondContact O-N 2.7Å; T281-S283 PolarHBondContact O-N 3Å; S283-L286 PolarHBondContact O-N 3.29Å; S283-G287 PolarHBondContact O-N 2.87Å; S283-F288 PolarHBondContact O-N 3.45Å
284T90.9Very high89.7Confident106 Ų10655.1 Ų55.165%0.6529%0.289SS*.Hα-helixtrans-63-45.5177.7-58.30000112E280 T281 L282 G287E280-T284 WeakPolarHBondContact O-CB 3.49Å; E280-T284 PolarHBondContact O-N 3.32Å; E280-T284 PolarHBondContact O-OG1 3.4Å; T281-T284 PolarHBondContact O-N 3.3Å; L282-T284 VanDerWaalsContact C-N 3.32Å; L282-T284 PolarHBondContact O-N 2.88Å; T284-G287 PolarHBondContact O-N 3.14Å
285W91.4Very high89.8Confident68 Ų6855.2 Ų55.226%0.25829%0.291SS..Hα-helixtrans-69-36.6-179.9-67.3-7.2000112.7Y232 F236 L266 I277 T281 L282 G287Y232-W285 HydrophobicContact CD2-CB 4.21Å; Y232-W285 WeakPolarHBondContact CD2-O 3.4Å; Y232-W285 HydrophobicContact CE2-CB 3.52Å; Y232-W285 AromaticContact CE2-CG 3.78Å; Y232-W285 HydrophobicContact CE2-CG 3.78Å; F236-W285 WeakPolarHBondContact CE2-O 3.3Å; L266-W285 HydrophobicContact CD1-CE3 3.88Å; L266-W285 HydrophobicContact CD1-CZ3 4.34Å; L266-W285 HydrophobicContact CD2-CE3 4.05Å; L266-W285 HydrophobicContact CD2-CZ3 3.87Å; I277-W285 HydrophobicContact CD1-CZ3 4.17Å; I277-W285 HydrophobicContact CG2-CH2 4.47Å; I277-W285 HydrophobicContact CG2-CZ3 4.18Å; T281-W285 HydrophobicContact CG2-CD2 3.89Å; T281-W285 VanDerWaalsContact CG2-CE2 3.41Å; T281-W285 HydrophobicContact CG2-CE3 4.23Å; T281-W285 HydrophobicContact CG2-CH2 3.77Å; T281-W285 HydrophobicContact CG2-CZ2 3.35Å; T281-W285 HydrophobicContact CG2-CZ3 4.19Å; T281-W285 PolarHBondContact O-N 2.98Å; L282-W285 HydrophobicContact CD2-CE3 4.42Å; L282-W285 PolarHBondContact O-N 3.45Å; W285-G287 PolarHBondContact O-N 2.84Å
286L90.9Very high90Very high0 Ų051.4 Ų51.40%028%0.276CS..THydrogen-bonded Turntrans-83.91.6179-64.8172.3000113.2F236 R259 V262 L263 L282 S283 F288 F297F236-L286 VanDerWaalsContact CZ-O 3.3Å; F236-L286 WeakPolarHBondContact CZ-O 3.48Å; R259-L286 HydrophobicContact CB-CD2 4.32Å; R259-L286 HydrophobicContact CG-CB 4.38Å; R259-L286 HydrophobicContact CG-CD2 4.48Å; R259-L286 WeakPolarHBondContact CG-O 3.49Å; R259-L286 PolarHBondContact NE-O 3.45Å; V262-L286 HydrophobicContact CB-CD2 3.99Å; V262-L286 HydrophobicContact CG1-CD2 3.82Å; L263-L286 HydrophobicContact CB-CD2 4.38Å; L282-L286 VanDerWaalsContact O-CB 3.24Å; L282-L286 WeakPolarHBondContact O-CB 3.49Å; L282-L286 VanDerWaalsContact O-CG 3.24Å; L282-L286 WeakPolarHBondContact O-CG 3.44Å; L282-L286 PolarHBondContact O-N 2.94Å; S283-L286 PolarHBondContact O-N 3.29Å; L286-F288 VanDerWaalsContact C-N 3.33Å; L286-F288 HydrophobicContact CB-CD2 3.56Å; L286-F288 HydrophobicContact CB-CE2 3.7Å; L286-F288 HydrophobicContact CD1-CD2 4.49Å; L286-F288 HydrophobicContact CD1-CE2 4.17Å; L286-F288 PolarHBondContact O-N 3.41Å; L286-F297 HydrophobicContact CD1-CD1 4.15Å; L286-F297 HydrophobicContact CD1-CE1 4.4Å
287G89.4Confident90Very high26 Ų2646 Ų4627%0.26825%0.251SS..THydrogen-bonded Turntrans62.537.9177.300000112.9R259 S283 T284 W285R259-G287 PolarHBondContact NH2-O 2.95Å; S283-G287 PolarHBondContact O-N 2.87Å; T284-G287 PolarHBondContact O-N 3.14Å; W285-G287 PolarHBondContact O-N 2.84Å
288F88.7Confident90.1Very high33 Ų3345.1 Ų45.115%0.14525%0.247CC..  trans-86.8145.1169.3-75.8-86000110.2R259 S283 L286 A293 A294 F297R259-F288 HydrophobicContact CG-CE2 4.4Å; S283-F288 PolarHBondContact O-N 3.45Å; L286-F288 VanDerWaalsContact C-N 3.33Å; L286-F288 HydrophobicContact CB-CD2 3.56Å; L286-F288 HydrophobicContact CB-CE2 3.7Å; L286-F288 HydrophobicContact CD1-CD2 4.49Å; L286-F288 HydrophobicContact CD1-CE2 4.17Å; L286-F288 PolarHBondContact O-N 3.41Å; F288-A293 HydrophobicContact CD1-CB 3.89Å; F288-A293 HydrophobicContact CE1-CB 4.13Å; F288-A294 HydrophobicContact CB-CB 3.86Å; F288-A294 HydrophobicContact CD1-CB 4.46Å; F288-A294 HydrophobicContact CD2-CB 3.63Å; F288-A294 HydrophobicContact CE2-CB 4.26Å; F288-A294 HydrophobicContact CG-CB 3.75Å; F288-F297 HydrophobicContact CE2-CB 4.15Å; F288-F297 HydrophobicContact CE2-CD1 4.04Å; F288-F297 HydrophobicContact CE2-CG 4.17Å; F288-F297 HydrophobicContact CZ-CB 3.65Å; F288-F297 HydrophobicContact CZ-CD1 4.12Å; F288-F297 HydrophobicContact CZ-CD2 4.36Å; F288-F297 AromaticContact CZ-CG 3.78Å; F288-F297 HydrophobicContact CZ-CG 3.78Å
289E85.5Confident90Very high172 Ų17246.3 Ų46.380%0.80425%0.25SC*.SBendtrans-91.3-27.3171.1-59.3-165.9148.100111.7K240K240-E289 IonicContact NZ-OE1 3.99Å
290D86.1Confident89.9Confident69 Ų6952.6 Ų52.637%0.36928%0.279SS..  trans-109.1128.5176.7172.338.9000110.9N292 A293 A294D290-N292 VanDerWaalsContact C-N 3.32Å; D290-N292 PolarHBondContact O-N 2.96Å; D290-N292 PolarHBondContact OD1-N 3.06Å; D290-N292 VanDerWaalsContact OD1-N 3.16Å; D290-N292 PolarHBondContact OD1-ND2 3.29Å; D290-N292 WeakPolarHBondContact OD2-CB 3.34Å; D290-A293 HydrophobicContact CB-CB 4.18Å; D290-A293 PolarHBondContact OD2-N 3.45Å; D290-A294 PolarHBondContact O-N 2.83Å
291I89.6Confident89.6Confident76 Ų7650.8 Ų50.839%0.3927%0.269SS..Hα-helixtrans-67.4-34.8-179.4-61.2168.8000110.6V279 E280 A294 S295V279-I291 HydrophobicContact CB-CG2 4.43Å; V279-I291 HydrophobicContact CG1-CG2 3.83Å; E280-I291 HydrophobicContact CG-CD1 4.18Å; I291-A294 WeakPolarHBondContact O-CB 3.26Å; I291-A294 PolarHBondContact O-N 2.96Å; I291-S295 PolarHBondContact O-N 3.16Å
292N90.6Very high89.2Confident99 Ų9951.1 Ų51.153%0.52928%0.283SS..Hα-helixtrans-68.4-43.1-179.2-59.1-62.5000111.4D290 A294 S295 C296D290-N292 VanDerWaalsContact C-N 3.32Å; D290-N292 PolarHBondContact O-N 2.96Å; D290-N292 PolarHBondContact OD1-N 3.06Å; D290-N292 VanDerWaalsContact OD1-N 3.16Å; D290-N292 PolarHBondContact OD1-ND2 3.29Å; D290-N292 WeakPolarHBondContact OD2-CB 3.34Å; N292-A294 VanDerWaalsContact C-N 3.29Å; N292-A294 PolarHBondContact O-N 3.38Å; N292-S295 WeakPolarHBondContact O-CB 3.44Å; N292-S295 PolarHBondContact O-N 3.42Å; N292-C296 PolarHBondContact O-N 2.93Å
293A88.4Confident88.6Confident19 Ų1951 Ų5116%0.15728%0.282CS..Hα-helixtrans-58.1-40.6172.100000112.3F288 D290 F297F288-A293 HydrophobicContact CD1-CB 3.89Å; F288-A293 HydrophobicContact CE1-CB 4.13Å; D290-A293 HydrophobicContact CB-CB 4.18Å; D290-A293 PolarHBondContact OD2-N 3.45Å; A293-F297 WeakPolarHBondContact O-CB 3.41Å; A293-F297 PolarHBondContact O-N 3.45Å
294A89.2Confident87.4Confident0 Ų054.6 Ų54.60%031%0.305CS..Hα-helixtrans-63.8-43.9175.400000112.3F288 D290 I291 N292 F297 C298F288-A294 HydrophobicContact CB-CB 3.86Å; F288-A294 HydrophobicContact CD1-CB 4.46Å; F288-A294 HydrophobicContact CD2-CB 3.63Å; F288-A294 HydrophobicContact CE2-CB 4.26Å; F288-A294 HydrophobicContact CG-CB 3.75Å; D290-A294 PolarHBondContact O-N 2.83Å; I291-A294 WeakPolarHBondContact O-CB 3.26Å; I291-A294 PolarHBondContact O-N 2.96Å; N292-A294 VanDerWaalsContact C-N 3.29Å; N292-A294 PolarHBondContact O-N 3.38Å; A294-F297 PolarHBondContact O-N 3.09Å; A294-C298 PolarHBondContact O-N 2.88Å; A294-C298 PolarHBondContact O-SG 3.03Å
295S90.8Very high85.8Confident15 Ų1549.9 Ų49.911%0.10528%0.278CS..Hα-helixtrans-59.5-51175.5-169.80000111.4I291 N292 F297 C298 D299I291-S295 PolarHBondContact O-N 3.16Å; N292-S295 WeakPolarHBondContact O-CB 3.44Å; N292-S295 PolarHBondContact O-N 3.42Å; S295-F297 VanDerWaalsContact C-N 3.29Å; S295-F297 PolarHBondContact O-N 3.01Å; S295-C298 WeakPolarHBondContact O-CB 3.34Å; S295-C298 PolarHBondContact O-N 3.38Å; S295-D299 VanDerWaalsContact O-CG 3.24Å; S295-D299 PolarHBondContact O-N 2.96Å
296C90.4Very high83.9Confident33 Ų3353.3 Ų53.322%0.22330%0.297CS..Hα-helixtrans-58.4-42.2179.8-176.20000111.7N292 D299 Q300 C314N292-C296 PolarHBondContact O-N 2.93Å; C296-D299 PolarHBondContact O-N 3.32Å; C296-Q300 WeakPolarHBondContact O-CG 3.44Å; C296-Q300 PolarHBondContact O-N 2.93Å; C296-C314 HydrophobicContact CB-CB 4.38Å
297F89.6Confident81.5Confident14 Ų1465 Ų656%0.06134%0.341CS..Hα-helixtrans-62.1-44.7173.8-179-99.6000111.8L256 R259 L263 L286 F288 A293 A294 S295 D299 Q300 F301L256-F297 HydrophobicContact CD1-CD2 4.37Å; L256-F297 HydrophobicContact CD1-CE2 3.59Å; L256-F297 HydrophobicContact CD1-CZ 4.39Å; R259-F297 HydrophobicContact CB-CE1 3.83Å; R259-F297 HydrophobicContact CB-CE2 4.45Å; R259-F297 HydrophobicContact CB-CZ 3.68Å; L263-F297 HydrophobicContact CB-CE1 4.33Å; L263-F297 HydrophobicContact CD2-CD1 3.97Å; L263-F297 HydrophobicContact CD2-CE1 3.63Å; L286-F297 HydrophobicContact CD1-CD1 4.15Å; L286-F297 HydrophobicContact CD1-CE1 4.4Å; F288-F297 HydrophobicContact CE2-CB 4.15Å; F288-F297 HydrophobicContact CE2-CD1 4.04Å; F288-F297 HydrophobicContact CE2-CG 4.17Å; F288-F297 HydrophobicContact CZ-CB 3.65Å; F288-F297 HydrophobicContact CZ-CD1 4.12Å; F288-F297 HydrophobicContact CZ-CD2 4.36Å; F288-F297 AromaticContact CZ-CG 3.78Å; F288-F297 HydrophobicContact CZ-CG 3.78Å; A293-F297 WeakPolarHBondContact O-CB 3.41Å; A293-F297 PolarHBondContact O-N 3.45Å; A294-F297 PolarHBondContact O-N 3.09Å; S295-F297 VanDerWaalsContact C-N 3.29Å; S295-F297 PolarHBondContact O-N 3.01Å; F297-D299 VanDerWaalsContact C-N 3.34Å; F297-D299 PolarHBondContact O-N 3.35Å; F297-Q300 WeakPolarHBondContact O-CB 3.47Å; F297-Q300 PolarHBondContact O-N 3.42Å; F297-F301 HydrophobicContact CD2-CE2 4.23Å; F297-F301 HydrophobicContact CE1-CD2 4.33Å; F297-F301 HydrophobicContact CE1-CE2 4.05Å; F297-F301 HydrophobicContact CE2-CD2 4.43Å; F297-F301 AromaticContact CE2-CE2 3.57Å; F297-F301 HydrophobicContact CE2-CE2 3.57Å; F297-F301 HydrophobicContact CE2-CZ 4.33Å; F297-F301 HydrophobicContact CZ-CD2 4.19Å; F297-F301 AromaticContact CZ-CE2 3.47Å; F297-F301 HydrophobicContact CZ-CE2 3.47Å; F297-F301 VanDerWaalsContact CZ-CE2 3.47Å; F297-F301 HydrophobicContact CZ-CZ 4.06Å; F297-F301 WeakPolarHBondContact O-CD2 3.24Å
298C91.1Very high79.3Confident1 Ų167.3 Ų67.31%0.00735%0.353CS..Hα-helixtrans-62.8-39.7178-67.40000112.5A294 S295 Q300 F301 G302 V303A294-C298 PolarHBondContact O-N 2.88Å; A294-C298 PolarHBondContact O-SG 3.03Å; S295-C298 WeakPolarHBondContact O-CB 3.34Å; S295-C298 PolarHBondContact O-N 3.38Å; C298-Q300 VanDerWaalsContact C-N 3.3Å; C298-Q300 PolarHBondContact O-N 3.26Å; C298-F301 PolarHBondContact O-N 3.11Å; C298-G302 PolarHBondContact O-N 2.64Å; C298-V303 CarbonylContact C-O 3.34Å; C298-V303 HydrophobicContact CB-CB 4.09Å; C298-V303 HydrophobicContact CB-CG1 4.33Å; C298-V303 WeakPolarHBondContact CB-O 3.01Å; C298-V303 PolarHBondContact O-N 3.41Å
299D90Very high76.8Confident81 Ų8173.8 Ų73.843%0.43339%0.389SS..Hα-helixtrans-61.9-37.2179.2-67.3-32.9000111.7S295 C296 F297 F301 G302 V303 G305S295-D299 VanDerWaalsContact O-CG 3.24Å; S295-D299 PolarHBondContact O-N 2.96Å; C296-D299 PolarHBondContact O-N 3.32Å; F297-D299 VanDerWaalsContact C-N 3.34Å; F297-D299 PolarHBondContact O-N 3.35Å; D299-F301 PolarHBondContact O-N 3.41Å; D299-F301 VanDerWaalsContact O-N 3.16Å; D299-G302 PolarHBondContact O-N 3.02Å; D299-V303 PolarHBondContact N-O 3.13Å; D299-G305 PolarHBondContact OD1-N 3.34Å
300Q88.5Confident74.6Confident141 Ų14169.7 Ų69.766%0.65938%0.376SS*.Hα-helixtrans-59.7-25.2174.8-68.4172.31500113.1C296 F297 C298C296-Q300 WeakPolarHBondContact O-CG 3.44Å; C296-Q300 PolarHBondContact O-N 2.93Å; F297-Q300 WeakPolarHBondContact O-CB 3.47Å; F297-Q300 PolarHBondContact O-N 3.42Å; C298-Q300 VanDerWaalsContact C-N 3.3Å; C298-Q300 PolarHBondContact O-N 3.26Å
301F86.3Confident72.1Confident55 Ų5576.8 Ų76.824%0.24140%0.403CS..THydrogen-bonded Turntrans-99.47.2177-71.7-96000113.3T260 L263 M264 K267 F297 C298 D299 V303T260-F301 HydrophobicContact CG2-CE1 3.77Å; T260-F301 HydrophobicContact CG2-CZ 3.73Å; L263-F301 HydrophobicContact CD2-CB 3.64Å; L263-F301 HydrophobicContact CD2-CD1 4.39Å; L263-F301 HydrophobicContact CD2-CD2 3.6Å; L263-F301 HydrophobicContact CD2-CE2 4.36Å; L263-F301 HydrophobicContact CD2-CG 3.61Å; L263-F301 HydrophobicContact CG-CB 4.38Å; L263-F301 HydrophobicContact CG-CG 4.46Å; M264-F301 HydrophobicContact CE-CE1 3.98Å; K267-F301 PolarHBondContact NZ-O 2.94Å; F297-F301 HydrophobicContact CD2-CE2 4.23Å; F297-F301 HydrophobicContact CE1-CD2 4.33Å; F297-F301 HydrophobicContact CE1-CE2 4.05Å; F297-F301 HydrophobicContact CE2-CD2 4.43Å; F297-F301 AromaticContact CE2-CE2 3.57Å; F297-F301 HydrophobicContact CE2-CE2 3.57Å; F297-F301 HydrophobicContact CE2-CZ 4.33Å; F297-F301 HydrophobicContact CZ-CD2 4.19Å; F297-F301 AromaticContact CZ-CE2 3.47Å; F297-F301 HydrophobicContact CZ-CE2 3.47Å; F297-F301 VanDerWaalsContact CZ-CE2 3.47Å; F297-F301 HydrophobicContact CZ-CZ 4.06Å; F297-F301 WeakPolarHBondContact O-CD2 3.24Å; C298-F301 PolarHBondContact O-N 3.11Å; D299-F301 PolarHBondContact O-N 3.41Å; D299-F301 VanDerWaalsContact O-N 3.16Å; F301-V303 VanDerWaalsContact C-N 3.31Å
302G83.3Confident69.7Low55 Ų5577.1 Ų77.157%0.56741%0.409SS*.THydrogen-bonded Turntrans69.326.7-177.600000113.5C298 D299 P304C298-G302 PolarHBondContact O-N 2.64Å; D299-G302 PolarHBondContact O-N 3.02Å; G302-P304 WeakPolarHBondContact O-CD 3.24Å
303V79Confident67.2Low2 Ų279.1 Ų79.11%0.01242%0.424CS..  trans-99.798.9168.3179.20000106.1L263 I274 L282 C298 D299 F301 G305L263-V303 HydrophobicContact CD1-CG2 4.12Å; I274-V303 HydrophobicContact CD1-CG1 4Å; I274-V303 HydrophobicContact CD1-CG2 3.69Å; I274-V303 HydrophobicContact CG1-CG1 3.87Å; I274-V303 HydrophobicContact CG1-CG2 4.39Å; I274-V303 HydrophobicContact CG2-CG1 4.36Å; I274-V303 HydrophobicContact CG2-CG2 4.49Å; L282-V303 HydrophobicContact CD1-CG1 4.3Å; C298-V303 CarbonylContact C-O 3.34Å; C298-V303 HydrophobicContact CB-CB 4.09Å; C298-V303 HydrophobicContact CB-CG1 4.33Å; C298-V303 WeakPolarHBondContact CB-O 3.01Å; C298-V303 PolarHBondContact O-N 3.41Å; D299-V303 PolarHBondContact N-O 3.13Å; F301-V303 VanDerWaalsContact C-N 3.31Å; V303-G305 PolarHBondContact O-N 3.47Å; V303-G305 VanDerWaalsContact O-N 3.09Å
304P65.2Low65Low81 Ų8180.6 Ų80.653%0.52643%0.433SS..  trans-61.9118.5-176.324.3-31.6000109H275 G302H275-P304 HydrophobicContact CB-CG 4.43Å; G302-P304 WeakPolarHBondContact O-CD 3.24Å
305G57.2Low62.5Low8 Ų885.6 Ų85.68%0.08247%0.466CS..  trans-59.9149.6157.600000108.6D299 V303 R307D299-G305 PolarHBondContact OD1-N 3.34Å; V303-G305 PolarHBondContact O-N 3.47Å; V303-G305 VanDerWaalsContact O-N 3.09Å; G305-R307 PolarHBondContact O-N 3.16Å; G305-R307 VanDerWaalsContact O-N 3.09Å
306E51.4Low60.1Low140 Ų14090.1 Ų90.165%0.65450%0.495SS*.SBendtrans-43.7125.8173.6-82.5-177.7162.800109.8V279 S308V279-E306 HydrophobicContact CG2-CB 4.41Å; E306-S308 VanDerWaalsContact C-N 3.29Å; E306-S308 PolarHBondContact O-N 2.94Å
307R41.6Very low57.8Low245 Ų24593.5 Ų93.593%0.92552%0.516SS*.  trans-40.884.3-167.7-67.4176.5176175.3-1.7113.3G305G305-R307 PolarHBondContact O-N 3.16Å; G305-R307 VanDerWaalsContact O-N 3.09Å
308S42.1Very low55.5Low74 Ų74104.9 Ų104.952%0.51756%0.558SS.*  trans-94.4111.5164.2-169.70000106.1E306 V310E306-S308 VanDerWaalsContact C-N 3.29Å; E306-S308 PolarHBondContact O-N 2.94Å; S308-V310 PolarHBondContact O-N 3.24Å
309N36.7Very low53.6Low169 Ų169107 Ų10790%0.90458%0.577SS**  trans-67.531.2-176.5-92.9-25.4000113.9
310V39.6Very low52Low87 Ų87108.7 Ų108.753%0.52758%0.58SS.*  trans-10995.6-171.1-161.70000109.5S308 T312S308-V310 PolarHBondContact O-N 3.24Å; V310-T312 HydrophobicContact CG1-CG2 3.42Å; V310-T312 VanDerWaalsContact CG1-CG2 3.42Å; V310-T312 WeakPolarHBondContact CG1-OG1 3.22Å; V310-T312 PolarHBondContact O-N 3.26Å
311K34.3Very low50.5Low217 Ų217108.7 Ų108.794%0.94358%0.583SS**  trans-69.846.4163.7-68.7-174.1177-178.90111.4
312T37.7Very low49.4Very low83 Ų83106.9 Ų106.951%0.50958%0.577SS.*  trans-84.7118.8170.540.30000108.2V310 C314V310-T312 HydrophobicContact CG1-CG2 3.42Å; V310-T312 VanDerWaalsContact CG1-CG2 3.42Å; V310-T312 WeakPolarHBondContact CG1-OG1 3.22Å; V310-T312 PolarHBondContact O-N 3.26Å; T312-C314 VanDerWaalsContact C-N 3.3Å; T312-C314 PolarHBondContact O-N 3.49Å
313V39.2Very low48.9Very low142 Ų142105.4 Ų105.486%0.86156%0.558SS**  trans-55.8103154.5177.20000105.5P315V313-P315 WeakPolarHBondContact O-CD 3.44Å
314C41.8Very low48.8Very low50 Ų50107.3 Ų107.334%0.33857%0.571SS.*PPolyproline II helixtrans-66.9118.1178.6-96.80000107.9C296 T312C296-C314 HydrophobicContact CB-CB 4.38Å; T312-C314 VanDerWaalsContact C-N 3.3Å; T312-C314 PolarHBondContact O-N 3.49Å
315P36.2Very low49.4Very low105 Ų105103.7 Ų103.768%0.68255%0.547SS*.PPolyproline II helixtrans-61.4151.4166.426.4-31.5000108.9V313V313-P315 WeakPolarHBondContact O-CD 3.44Å
316P41.5Very low49.9Very low110 Ų110112.1 Ų112.171%0.71458%0.577SS**PPolyproline II helixtrans-52.6141.8176.822.1-31.9000109.1R318P316-R318 PolarHBondContact O-N 2.91Å; P316-R318 VanDerWaalsContact O-N 3.11Å
317P41.7Very low51Low103 Ų103109.5 Ų109.567%0.66956%0.564SS**PPolyproline II helixtrans-50.9127.7178.719.2-29.7000108A319P317-A319 PolarHBondContact O-N 3.4Å
318R41.1Very low52.5Low253 Ų25398.1 Ų98.196%0.95552%0.522SS*.  trans-60.391.5170.8-79-176.7177.2177.1-1.6106.4P316 K320P316-R318 PolarHBondContact O-N 2.91Å; P316-R318 VanDerWaalsContact O-N 3.11Å; R318-K320 PolarHBondContact O-N 3.12Å
319A51.7Low53.9Low47 Ų4796 Ų9639%0.38851%0.505SS..PPolyproline II helixtrans-54.1138.6172.700000106.9P317 L321P317-A319 PolarHBondContact O-N 3.4Å; A319-L321 PolarHBondContact O-N 3.17Å
320K56.9Low55.5Low116 Ų11690.7 Ų90.750%0.50448%0.478SS..PPolyproline II helixtrans-51136.3166.1-69.3175.9-171.6155.40107.3R318 P322 A342 R343R318-K320 PolarHBondContact O-N 3.12Å; K320-P322 WeakPolarHBondContact O-CD 3.39Å; K320-P322 VanDerWaalsContact O-N 3.12Å; K320-A342 PolarHBondContact NZ-O 3.42Å; K320-R343 WeakPolarHBondContact CE-O 3.47Å; K320-R343 PolarHBondContact NZ-O 3.06Å; K320-R343 PolarHBondContact NZ-OXT 3.27Å
321L56.8Low56.9Low140 Ų14092.1 Ų92.173%0.73347%0.474SS*.PPolyproline II helixtrans-47.2123.3177.6-85.6156.1000108.6A319A319-L321 PolarHBondContact O-N 3.17Å
322P63.1Low58.3Low17 Ų1784.4 Ų84.411%0.1145%0.447CS..PPolyproline II helixtrans-49.8149.2174.5-0.1-11.3000111.5Y142 Y145 R146 K320Y142-P322 HydrophobicContact CE2-CB 4.49Å; Y145-P322 HydrophobicContact CD1-CB 3.69Å; Y145-P322 HydrophobicContact CD1-CG 3.88Å; Y145-P322 HydrophobicContact CE1-CB 3.46Å; Y145-P322 VanDerWaalsContact CE1-CB 3.46Å; Y145-P322 HydrophobicContact CE1-CG 3.66Å; R146-P322 VanDerWaalsContact CD-CG 3.42Å; K320-P322 WeakPolarHBondContact O-CD 3.39Å; K320-P322 VanDerWaalsContact O-N 3.12Å
323P73.2Confident59.4Low25 Ų2589.1 Ų89.116%0.16246%0.461CS..PPolyproline II helixtrans-55.5147.2162.227.5-34.1000109.6Y142 F245 E327 V328Y142-P323 VanDerWaalsContact CE2-O 3.31Å; Y142-P323 WeakPolarHBondContact CE2-O 3.22Å; F245-P323 HydrophobicContact CD2-CG 3.9Å; F245-P323 HydrophobicContact CE2-CG 3.55Å; F245-P323 HydrophobicContact CZ-CG 3.89Å; P323-E327 WeakPolarHBondContact CA-OE2 3.37Å; P323-E327 HydrophobicContact CB-CB 3.99Å; P323-E327 VanDerWaalsContact CB-OE2 3.26Å; P323-E327 WeakPolarHBondContact CB-OE2 3.45Å; P323-V328 HydrophobicContact CB-CG2 4.29Å; P323-V328 HydrophobicContact CG-CG2 3.8Å
324S76.4Confident60.2Low41 Ų4192 Ų9229%0.28746%0.456SS..PPolyproline II helixtrans-58.8152.2174.963.70000110.9R326 E327 V328S324-R326 PolarHBondContact O-N 2.78Å; S324-R326 VanDerWaalsContact O-N 3.12Å; S324-E327 WeakPolarHBondContact O-CA 3.27Å; S324-E327 WeakPolarHBondContact O-CB 3.1Å; S324-E327 PolarHBondContact O-N 3.27Å; S324-E327 VanDerWaalsContact OG-CD 3.24Å; S324-E327 VanDerWaalsContact OG-CG 3.29Å; S324-E327 WeakPolarHBondContact OG-CG 3.12Å; S324-E327 PolarHBondContact OG-N 3.32Å; S324-E327 PolarHBondContact OG-OE1 2.7Å; S324-V328 PolarHBondContact O-N 2.65Å
325F76.7Confident60.3Low6 Ų692.2 Ų92.23%0.02647%0.467CS..Hα-helixtrans-54.9-35.5176.9-176.4-117.3000112.3L87 I91 M135 R138 F139 Y142 E327 V328 L329L87-F325 HydrophobicContact CD2-CE1 4.31Å; I91-F325 HydrophobicContact CG2-CB 4.44Å; I91-F325 HydrophobicContact CG2-CD1 3.35Å; I91-F325 HydrophobicContact CG2-CE1 3.87Å; I91-F325 HydrophobicContact CG2-CG 4.17Å; M135-F325 HydrophobicContact SD-CE1 3.66Å; M135-F325 HydrophobicContact SD-CZ 3.63Å; R138-F325 HydrophobicContact CB-CE2 4.24Å; R138-F325 HydrophobicContact CB-CZ 4.27Å; F139-F325 HydrophobicContact CB-CE2 4.34Å; F139-F325 HydrophobicContact CB-CZ 3.98Å; Y142-F325 HydrophobicContact CD1-CB 3.94Å; Y142-F325 AromaticContact CD1-CD2 3.88Å; Y142-F325 HydrophobicContact CD1-CD2 3.88Å; Y142-F325 HydrophobicContact CD1-CG 4.22Å; Y142-F325 HydrophobicContact CD2-CB 4.35Å; Y142-F325 HydrophobicContact CD2-CD2 4.05Å; Y142-F325 HydrophobicContact CE1-CB 3.86Å; Y142-F325 HydrophobicContact CE2-CB 4.28Å; Y142-F325 HydrophobicContact CG-CB 4.19Å; Y142-F325 AromaticContact CG-CD2 3.55Å; Y142-F325 HydrophobicContact CG-CD2 3.55Å; Y142-F325 HydrophobicContact CG-CE2 4.38Å; Y142-F325 HydrophobicContact CG-CG 4.28Å; F325-E327 PolarHBondContact O-N 3.12Å; F325-V328 WeakPolarHBondContact O-CB 3.5Å; F325-V328 PolarHBondContact O-N 3.07Å; F325-L329 HydrophobicContact CD1-CD1 3.85Å; F325-L329 HydrophobicContact CD1-CG 4.28Å; F325-L329 HydrophobicContact CE1-CD1 3.45Å; F325-L329 VanDerWaalsContact CE1-CD1 3.45Å; F325-L329 HydrophobicContact CE1-CD2 4.33Å; F325-L329 HydrophobicContact CE1-CG 3.95Å; F325-L329 HydrophobicContact CE2-CD2 4.22Å; F325-L329 HydrophobicContact CE2-CG 4.22Å; F325-L329 HydrophobicContact CZ-CD1 3.88Å; F325-L329 HydrophobicContact CZ-CD2 3.87Å; F325-L329 HydrophobicContact CZ-CG 3.91Å; F325-L329 WeakPolarHBondContact O-CG 3.48Å; F325-L329 PolarHBondContact O-N 3.11Å
326R68.8Low60.8Low185 Ų18591.8 Ų91.870%0.69846%0.459SS*.Hα-helixtrans-59.1-46173.5-174.7-179.9-179.5-172.31.1112S324 V328 L329 V330S324-R326 PolarHBondContact O-N 2.78Å; S324-R326 VanDerWaalsContact O-N 3.12Å; R326-V328 VanDerWaalsContact C-N 3.33Å; R326-V328 PolarHBondContact O-N 2.97Å; R326-L329 PolarHBondContact O-N 3.33Å; R326-V330 WeakPolarHBondContact O-CB 3.47Å; R326-V330 VanDerWaalsContact O-CG2 3.26Å; R326-V330 WeakPolarHBondContact O-CG2 3.48Å; R326-V330 PolarHBondContact O-N 3.49Å
327E73.8Confident60.2Low85 Ų8591.9 Ų91.940%0.39746%0.458SS..Hα-helixtrans-62.3-40.6175.6-75158.9-129.800112P323 S324 F325 V330 R331P323-E327 WeakPolarHBondContact CA-OE2 3.37Å; P323-E327 HydrophobicContact CB-CB 3.99Å; P323-E327 VanDerWaalsContact CB-OE2 3.26Å; P323-E327 WeakPolarHBondContact CB-OE2 3.45Å; S324-E327 WeakPolarHBondContact O-CA 3.27Å; S324-E327 WeakPolarHBondContact O-CB 3.1Å; S324-E327 PolarHBondContact O-N 3.27Å; S324-E327 VanDerWaalsContact OG-CD 3.24Å; S324-E327 VanDerWaalsContact OG-CG 3.29Å; S324-E327 WeakPolarHBondContact OG-CG 3.12Å; S324-E327 PolarHBondContact OG-N 3.32Å; S324-E327 PolarHBondContact OG-OE1 2.7Å; F325-E327 PolarHBondContact O-N 3.12Å; E327-V330 PolarHBondContact O-N 3.09Å; E327-R331 WeakPolarHBondContact O-CB 3.42Å; E327-R331 VanDerWaalsContact O-CG 3.28Å; E327-R331 WeakPolarHBondContact O-CG 3.5Å; E327-R331 PolarHBondContact O-N 3.03Å; E327-R331 IonicContact OE2-NH2 3.99Å
328V74.2Confident59.7Low5 Ų592.8 Ų92.83%0.0346%0.464CS..Hα-helixtrans-59.9-47.6177.3176.20000110.9Y142 F245 L246 P323 S324 F325 R326 R331 S332Y142-V328 HydrophobicContact CD2-CG2 4.17Å; Y142-V328 HydrophobicContact CE2-CG2 4.37Å; F245-V328 HydrophobicContact CD1-CB 4.18Å; F245-V328 HydrophobicContact CD1-CG1 3.55Å; F245-V328 HydrophobicContact CD1-CG2 3.47Å; F245-V328 VanDerWaalsContact CD1-CG2 3.47Å; F245-V328 HydrophobicContact CE1-CB 4.46Å; F245-V328 HydrophobicContact CE1-CG1 4.13Å; F245-V328 HydrophobicContact CE1-CG2 3.45Å; F245-V328 VanDerWaalsContact CE1-CG2 3.45Å; F245-V328 HydrophobicContact CG-CG1 4.4Å; F245-V328 HydrophobicContact CG-CG2 4.13Å; F245-V328 HydrophobicContact CZ-CG2 4.09Å; L246-V328 HydrophobicContact CD1-CG1 4.37Å; L246-V328 HydrophobicContact CD2-CG1 3.84Å; L246-V328 HydrophobicContact CG-CG1 3.94Å; P323-V328 HydrophobicContact CB-CG2 4.29Å; P323-V328 HydrophobicContact CG-CG2 3.8Å; S324-V328 PolarHBondContact O-N 2.65Å; F325-V328 WeakPolarHBondContact O-CB 3.5Å; F325-V328 PolarHBondContact O-N 3.07Å; R326-V328 VanDerWaalsContact C-N 3.33Å; R326-V328 PolarHBondContact O-N 2.97Å; V328-R331 PolarHBondContact O-N 2.85Å; V328-S332 WeakPolarHBondContact O-CB 3.29Å; V328-S332 PolarHBondContact O-N 3.23Å
329L71.7Confident59.2Low31 Ų3186.8 Ų86.816%0.16246%0.455CS..Hα-helixtrans-64.5-41.2177.5-69.4178.5000112.6M135 R138 F325 R326 K333M135-L329 HydrophobicContact CE-CD1 3.66Å; M135-L329 HydrophobicContact CE-CD2 4.12Å; M135-L329 HydrophobicContact SD-CD1 3.78Å; M135-L329 HydrophobicContact SD-CD2 4.01Å; R138-L329 HydrophobicContact CB-CD2 4.49Å; F325-L329 HydrophobicContact CD1-CD1 3.85Å; F325-L329 HydrophobicContact CD1-CG 4.28Å; F325-L329 HydrophobicContact CE1-CD1 3.45Å; F325-L329 VanDerWaalsContact CE1-CD1 3.45Å; F325-L329 HydrophobicContact CE1-CD2 4.33Å; F325-L329 HydrophobicContact CE1-CG 3.95Å; F325-L329 HydrophobicContact CE2-CD2 4.22Å; F325-L329 HydrophobicContact CE2-CG 4.22Å; F325-L329 HydrophobicContact CZ-CD1 3.88Å; F325-L329 HydrophobicContact CZ-CD2 3.87Å; F325-L329 HydrophobicContact CZ-CG 3.91Å; F325-L329 WeakPolarHBondContact O-CG 3.48Å; F325-L329 PolarHBondContact O-N 3.11Å; R326-L329 PolarHBondContact O-N 3.33Å; L329-K333 PolarHBondContact O-N 2.87Å; L329-K333 VanDerWaalsContact O-N 3.12Å
330V68.4Low58.1Low57 Ų5792.7 Ų92.735%0.34548%0.475SS..Hα-helixtrans-66.1-41.6178.7170.50000111R326 E327 K333 R334R326-V330 WeakPolarHBondContact O-CB 3.47Å; R326-V330 VanDerWaalsContact O-CG2 3.26Å; R326-V330 WeakPolarHBondContact O-CG2 3.48Å; R326-V330 PolarHBondContact O-N 3.49Å; E327-V330 PolarHBondContact O-N 3.09Å; V330-K333 PolarHBondContact O-N 3.17Å; V330-R334 HydrophobicContact CG1-CG 4.42Å; V330-R334 WeakPolarHBondContact O-CB 3.35Å; V330-R334 VanDerWaalsContact O-CG 3.31Å; V330-R334 WeakPolarHBondContact O-CG 3.35Å; V330-R334 PolarHBondContact O-N 3.16Å
331R69.3Low56.6Low116 Ų11696.1 Ų96.144%0.43849%0.489SS..Hα-helixtrans-65.2-45.8176.5-72.5177.2-172.4-176.76.4111.7E327 V328 K333 R334 G335E327-R331 WeakPolarHBondContact O-CB 3.42Å; E327-R331 VanDerWaalsContact O-CG 3.28Å; E327-R331 WeakPolarHBondContact O-CG 3.5Å; E327-R331 PolarHBondContact O-N 3.03Å; E327-R331 IonicContact OE2-NH2 3.99Å; V328-R331 PolarHBondContact O-N 2.85Å; R331-K333 VanDerWaalsContact C-N 3.26Å; R331-K333 PolarHBondContact O-N 2.98Å; R331-R334 PolarHBondContact O-N 3.4Å; R331-R334 VanDerWaalsContact O-N 3.09Å; R331-G335 PolarHBondContact O-N 3.26Å
332S64.8Low55.2Low55 Ų5593.8 Ų93.839%0.38549%0.49SS..Hα-helixtrans-54.6-40.7175.2170.10000112.5V328V328-S332 WeakPolarHBondContact O-CB 3.29Å; V328-S332 PolarHBondContact O-N 3.23Å
333K60.7Low53.5Low183 Ų183105.9 Ų105.980%0.79653%0.534SS*.Hα-helixtrans-78.8-23.9178.2-71.1-171.5179-173.40114.9L329 V330 R331 G335L329-K333 PolarHBondContact O-N 2.87Å; L329-K333 VanDerWaalsContact O-N 3.12Å; V330-K333 PolarHBondContact O-N 3.17Å; R331-K333 VanDerWaalsContact C-N 3.26Å; R331-K333 PolarHBondContact O-N 2.98Å; K333-G335 VanDerWaalsContact C-N 3.3Å
334R55Low52.5Low201 Ų201110 Ų11076%0.75855%0.552SS**Hα-helixtrans-80.4-9.8-178-79.1-179.2-179.8-168.80.9113.5V330 R331V330-R334 HydrophobicContact CG1-CG 4.42Å; V330-R334 WeakPolarHBondContact O-CB 3.35Å; V330-R334 VanDerWaalsContact O-CG 3.31Å; V330-R334 WeakPolarHBondContact O-CG 3.35Å; V330-R334 PolarHBondContact O-N 3.16Å; R331-R334 PolarHBondContact O-N 3.4Å; R331-R334 VanDerWaalsContact O-N 3.09Å
335G45.3Very low51.2Low55 Ų55113.6 Ų113.657%0.56757%0.566SS**  trans61.187.4-175.800000109.7R331 K333 T337R331-G335 PolarHBondContact O-N 3.26Å; K333-G335 VanDerWaalsContact C-N 3.3Å; G335-T337 PolarHBondContact O-N 2.95Å
336D45.5Very low49.8Very low97 Ų97119.6 Ų119.652%0.51960%0.596SS.*  trans-38.697.5-168.5-72.6-37.4000114.1
337T28.9Very low48.7Very low112 Ų112115.7 Ų115.769%0.68759%0.59SS**  trans-72.6125.8139.430.20000105.7G335 V339G335-T337 PolarHBondContact O-N 2.95Å; T337-V339 PolarHBondContact O-N 2.98Å
338P31.5Very low47.1Very low122 Ų122117.6 Ų117.679%0.79260%0.602SS**  trans-64.4101.4-175.624.1-31.8000109.1E340P338-E340 PolarHBondContact O-N 3.41Å
339V31.5Very low45.3Very low126 Ų126125.1 Ų125.176%0.76464%0.64SS**  trans-64.1124.2167.3179.30000106.8T337 K341T337-V339 PolarHBondContact O-N 2.98Å; V339-K341 PolarHBondContact O-N 3.23Å
340E28.6Very low43.5Very low172 Ų172131.9 Ų131.980%0.80467%0.674SS**  trans-47.5128.7-168.9-67.1174.4125.500114.3P338 A342P338-E340 PolarHBondContact O-N 3.41Å; E340-A342 PolarHBondContact O-N 2.78Å
341K25.6Very low41.5Very low188 Ų188137.6 Ų137.682%0.81770%0.7SS**  trans34.979.6139.3-62.8176.7-179.7169.30116.2V339 R343V339-K341 PolarHBondContact O-N 3.23Å; K341-R343 PolarHBondContact O-N 2.66Å; K341-R343 VanDerWaalsContact O-N 3.11Å
342A25.9Very low39.2Very low90 Ų90139.4 Ų139.474%0.74472%0.722SS**  trans-78.383.9147.200000108.3K320 E340K320-A342 PolarHBondContact NZ-O 3.42Å; E340-A342 PolarHBondContact O-N 2.78Å
343R27.6Very low36.9Very low272 Ų272147.1 Ų147.1100%1.02675%0.752SS**  trans-39.80170.2-84.6-175.8173.4-176.6-0.7112.1K320 K341K320-R343 WeakPolarHBondContact CE-O 3.47Å; K320-R343 PolarHBondContact NZ-O 3.06Å; K320-R343 PolarHBondContact NZ-OXT 3.27Å; K341-R343 PolarHBondContact O-N 2.66Å; K341-R343 VanDerWaalsContact O-N 3.11Å

Retrieved 343 of 343 residues in 655.8 ms (Link to these results)

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