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Syntaxin-1B

Potentially involved in docking of synaptic vesicles at presynaptic active zones. May mediate Ca(2+)-regulation of exocytosis acrosomal reaction in sperm.

AlphaFold DB , UniProt , Accession A0A060WK22, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110538117, Length 288 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
1M46.7Very low69.2Low248 Ų248141.4 Ų141.4100%1.22270%0.697SS**  0124.20-145.9168.6-172.900106.6
2K65.5Low68.2Low193 Ų193139.4 Ų139.484%0.83968%0.681SS**  trans-75.7133.1178.9-75.3177177.7174.40108.5R4K2-R4 PolarHBondContact O-N 3.36Å
3D72.3Confident67.1Low129 Ų129140.6 Ų140.669%0.6969%0.693SS**  trans-68.1115179-173.12.5000109.7T5D3-T5 VanDerWaalsContact CG-OG1 3.29Å; D3-T5 VanDerWaalsContact OD1-CB 3.32Å; D3-T5 WeakPolarHBondContact OD1-CB 3.47Å; D3-T5 WeakPolarHBondContact OD1-CG2 3.1Å; D3-T5 PolarHBondContact OD1-N 3.1Å; D3-T5 PolarHBondContact OD1-OG1 2.64Å; D3-T5 PolarHBondContact OD2-OG1 3.11Å
4R80.6Confident66.3Low163 Ų163136.9 Ų136.962%0.61569%0.687SS**  trans-112.611.7179.3-63.9-177.770-165.2-1.6111.8K2 Q6 E7 L8K2-R4 PolarHBondContact O-N 3.36Å; R4-Q6 PolarHBondContact O-N 3.13Å; R4-E7 IonicContact CZ-OE2 3.64Å; R4-E7 VanDerWaalsContact CZ-OE2 3.3Å; R4-E7 IonicContact NE-OE2 3.77Å; R4-E7 PolarHBondContact NE-OE2 3.43Å; R4-E7 IonicContact NH2-OE2 3.98Å; R4-E7 PolarHBondContact NH2-OE2 2.82Å; R4-E7 PolarHBondContact O-N 3.09Å; R4-L8 PolarHBondContact O-N 3.43Å
5T78Confident65.1Low79 Ų79137.9 Ų137.949%0.48570%0.696SS.*Hα-helixtrans-59-30.8-179.749.10000112.4D3 L8 R9D3-T5 VanDerWaalsContact CG-OG1 3.29Å; D3-T5 VanDerWaalsContact OD1-CB 3.32Å; D3-T5 WeakPolarHBondContact OD1-CB 3.47Å; D3-T5 WeakPolarHBondContact OD1-CG2 3.1Å; D3-T5 PolarHBondContact OD1-N 3.1Å; D3-T5 PolarHBondContact OD1-OG1 2.64Å; D3-T5 PolarHBondContact OD2-OG1 3.11Å; T5-L8 PolarHBondContact O-N 2.95Å; T5-R9 WeakPolarHBondContact O-CG 3.35Å; T5-R9 PolarHBondContact O-N 2.88Å; T5-R9 VanDerWaalsContact O-N 3.15Å
6Q73.6Confident64.3Low163 Ų163139.2 Ų139.276%0.76271%0.705SS**Hα-helixtrans-74.8-33.9180-154.7170.49.300113.1R4 L8 S10R4-Q6 PolarHBondContact O-N 3.13Å; Q6-L8 VanDerWaalsContact C-N 3.34Å; Q6-S10 PolarHBondContact O-N 3.05Å; Q6-S10 PolarHBondContact O-OG 3.48Å
7E75.7Confident63.3Low111 Ų111140.1 Ų140.152%0.51971%0.713SS.*Hα-helixtrans-67.2-37.4172.7-68.7178.4-179.800111R4 S10 A11R4-E7 IonicContact CZ-OE2 3.64Å; R4-E7 VanDerWaalsContact CZ-OE2 3.3Å; R4-E7 IonicContact NE-OE2 3.77Å; R4-E7 PolarHBondContact NE-OE2 3.43Å; R4-E7 IonicContact NH2-OE2 3.98Å; R4-E7 PolarHBondContact NH2-OE2 2.82Å; R4-E7 PolarHBondContact O-N 3.09Å; E7-S10 WeakPolarHBondContact CA-OG 3.35Å; E7-S10 PolarHBondContact O-OG 2.91Å; E7-A11 PolarHBondContact O-N 3.39Å; E7-A11 VanDerWaalsContact O-N 3.17Å
8L69.5Low62.6Low126 Ų126139.9 Ų139.966%0.6671%0.708SS**Hα-helixtrans-69.8-35.1178.4-71.5167.5000112.6R4 T5 Q6 K12R4-L8 PolarHBondContact O-N 3.43Å; T5-L8 PolarHBondContact O-N 2.95Å; Q6-L8 VanDerWaalsContact C-N 3.34Å; L8-K12 PolarHBondContact O-N 3.17Å
9R69.5Low61.8Low190 Ų190142.2 Ų142.272%0.71772%0.716SS**Hα-helixtrans-68.4-40.7175.5-75.1-177.4-178.4-164.71112.3T5 A11 K12T5-R9 WeakPolarHBondContact O-CG 3.35Å; T5-R9 PolarHBondContact O-N 2.88Å; T5-R9 VanDerWaalsContact O-N 3.15Å; R9-A11 VanDerWaalsContact C-N 3.29Å; R9-A11 PolarHBondContact O-N 3.25Å; R9-K12 WeakPolarHBondContact O-CB 2.96Å; R9-K12 PolarHBondContact O-N 3.47Å; R9-K12 VanDerWaalsContact O-N 3.15Å
10S66.9Low61Low85 Ų85140.9 Ų140.959%0.59472%0.715SS**Hα-helixtrans-72-23.4179.933.60000113.3Q6 E7Q6-S10 PolarHBondContact O-N 3.05Å; Q6-S10 PolarHBondContact O-OG 3.48Å; E7-S10 WeakPolarHBondContact CA-OG 3.35Å; E7-S10 PolarHBondContact O-OG 2.91Å
11A63.3Low60.4Low68 Ų68139.6 Ų139.656%0.56271%0.714SS**THydrogen-bonded Turntrans-81.1-12.6170.300000114.1E7 R9 S14E7-A11 PolarHBondContact O-N 3.39Å; E7-A11 VanDerWaalsContact O-N 3.17Å; R9-A11 VanDerWaalsContact C-N 3.29Å; R9-A11 PolarHBondContact O-N 3.25Å; A11-S14 PolarHBondContact O-OG 3.17Å
12K56.6Low60.1Low118 Ų118136 Ų13651%0.51369%0.694SS.*G310 helixtrans-87.6-18.7-174.3-152.1179.2-177.9-168.70113.6L8 R9 S14 E18L8-K12 PolarHBondContact O-N 3.17Å; R9-K12 WeakPolarHBondContact O-CB 2.96Å; R9-K12 PolarHBondContact O-N 3.47Å; R9-K12 VanDerWaalsContact O-N 3.15Å; K12-S14 PolarHBondContact O-N 3.41Å; K12-E18 WeakPolarHBondContact CE-OE1 3.45Å; K12-E18 WeakPolarHBondContact CE-OE2 3.46Å; K12-E18 IonicContact NZ-OE1 2.57Å; K12-E18 PolarHBondContact NZ-OE1 3.29Å; K12-E18 IonicContact NZ-OE2 3.29Å; K12-E18 PolarHBondContact NZ-OE2 3.02Å
13D54.6Low59.5Low155 Ų155131.9 Ų131.983%0.82969%0.685SS**G310 helixtrans-78.65.3-179.4-76.8-17.8000113.8
14S55.2Low58.3Low88 Ų88133.1 Ų133.162%0.61569%0.692SS**G310 helixtrans-116.92-172.158.20000117.2A11 K12A11-S14 PolarHBondContact O-OG 3.17Å; K12-S14 PolarHBondContact O-N 3.41Å
15D49Very low57Low152 Ų152135.7 Ų135.781%0.81370%0.702SS**SBendtrans-142.3119.1171.9-88.4-36.2000110.6
16D51.2Low55.9Low159 Ų159138.1 Ų138.185%0.8571%0.712SS**  trans-68159.4-179-85.8-39.7000114.1
17D48.7Very low55.7Low155 Ų155137.6 Ų137.683%0.82971%0.709SS**  trans74.765167.6-62.6-26.8000117.6E19D17-E19 PolarHBondContact O-N 2.85Å; D17-E19 VanDerWaalsContact O-N 3.13Å
18E49Very low55.9Low136 Ų136137.7 Ų137.764%0.63671%0.708SS**  trans-68.5102.5153-77.1-168.5153.400109.1K12 V20K12-E18 WeakPolarHBondContact CE-OE1 3.45Å; K12-E18 WeakPolarHBondContact CE-OE2 3.46Å; K12-E18 IonicContact NZ-OE1 2.57Å; K12-E18 PolarHBondContact NZ-OE1 3.29Å; K12-E18 IonicContact NZ-OE2 3.29Å; K12-E18 PolarHBondContact NZ-OE2 3.02Å; E18-V20 PolarHBondContact O-N 3.31Å
19E48.3Very low56.6Low183 Ų183132.4 Ų132.486%0.85568%0.68SS**  trans-54.999.2151.8-112.4-175.9173.600106.4D17 V21D17-E19 PolarHBondContact O-N 2.85Å; D17-E19 VanDerWaalsContact O-N 3.13Å; E19-V21 PolarHBondContact O-N 2.76Å
20V45.7Very low57.6Low116 Ų116126.8 Ų126.870%0.70366%0.664SS**  trans-64.394.2173.1-177.60000106E18 Q22E18-V20 PolarHBondContact O-N 3.31Å; V20-Q22 PolarHBondContact O-N 3.29Å
21V48.1Very low58.6Low114 Ų114129.6 Ų129.669%0.69167%0.668SS**  trans-61.198.6163.5-179.50000104.8E19 V23E19-V21 PolarHBondContact O-N 2.76Å; V21-V23 HydrophobicContact CG1-CG2 4.14Å; V21-V23 PolarHBondContact O-N 3.35Å
22Q40.6Very low59.9Low172 Ų172126.6 Ų126.680%0.80464%0.642SS**  trans-62.188.7163.7-78.7-176.2-19.500105.9V20 D24V20-Q22 PolarHBondContact O-N 3.29Å; Q22-D24 PolarHBondContact O-N 3.19Å; Q22-D24 VanDerWaalsContact O-N 3.11Å
23V52.3Low61.7Low107 Ų107124.6 Ų124.665%0.64863%0.634SS**  trans-64.1108.9158.6-177.60000103.5V21 R25V21-V23 HydrophobicContact CG1-CG2 4.14Å; V21-V23 PolarHBondContact O-N 3.35Å; V23-R25 PolarHBondContact O-N 2.89Å
24D47.4Very low63.6Low156 Ų156123.9 Ų123.983%0.83463%0.625SS**  trans-55.890.8165.7-108.7-23.3000106.6Q22 D26Q22-D24 PolarHBondContact O-N 3.19Å; Q22-D24 VanDerWaalsContact O-N 3.11Å; D24-D26 VanDerWaalsContact C-N 3.3Å
25R53.6Low65.4Low216 Ų216122.7 Ų122.782%0.81561%0.61SS**  trans-89.6-4-169.2-153.8-178.8-171.3-160.61.3111.7V23 H27V23-R25 PolarHBondContact O-N 2.89Å; R25-H27 PolarHBondContact O-N 3.21Å
26D54.2Low67.6Low131 Ų131116 Ų11670%0.70158%0.575SS**THydrogen-bonded Turntrans-81.9-16-164.2-89.21.2000114.2D24D24-D26 VanDerWaalsContact C-N 3.3Å
27H70.9Confident69.8Low152 Ų152112.9 Ų112.970%0.70456%0.555SS**THydrogen-bonded Turntrans-14749.2-177.5-64.9-54.6000115.4R25 M29 D30R25-H27 PolarHBondContact O-N 3.21Å; H27-M29 PolarHBondContact O-N 3.42Å; H27-D30 WeakPolarHBondContact CA-OD2 3.44Å; H27-D30 IonicContact CE1-OD2 3.59Å; H27-D30 IonicContact CG-OD2 2.76Å; H27-D30 IonicContact ND1-OD2 3.13Å; H27-D30 PolarHBondContact ND1-OD2 2.92Å
28F79.9Confident72Confident112 Ų112108.9 Ų108.949%0.49153%0.531SS..SBendtrans-81.7107.4174178.5-101.6000111D30 F33 I114F28-D30 PolarHBondContact O-N 3.32Å; F28-F33 HydrophobicContact CD1-CE2 4.32Å; F28-F33 HydrophobicContact CE1-CE2 4.49Å; F28-I114 HydrophobicContact CE1-CD1 3.74Å; F28-I114 HydrophobicContact CZ-CD1 3.81Å
29M83.7Confident74.3Confident16 Ų16102.4 Ų102.48%0.07950%0.501CS..SBendtrans59.920.2176.2-62.2-173.181.800115.3H27 E31 F32 F33 D111 I114 R115H27-M29 PolarHBondContact O-N 3.42Å; M29-E31 VanDerWaalsContact C-N 3.34Å; M29-E31 PolarHBondContact O-N 2.87Å; M29-F32 HydrophobicContact CB-CB 4.28Å; M29-F32 HydrophobicContact CE-CB 4.12Å; M29-F32 HydrophobicContact CE-CD1 3.32Å; M29-F32 HydrophobicContact CE-CE1 3.86Å; M29-F32 HydrophobicContact CE-CG 3.75Å; M29-F32 WeakPolarHBondContact O-CA 3.34Å; M29-F32 WeakPolarHBondContact O-CB 3.39Å; M29-F32 PolarHBondContact O-N 3.39Å; M29-F32 HydrophobicContact SD-CD1 4.48Å; M29-F33 HydrophobicContact CB-CD2 3.78Å; M29-F33 HydrophobicContact CB-CE2 3.57Å; M29-F33 HydrophobicContact CB-CZ 4.31Å; M29-F33 WeakPolarHBondContact O-CD2 3.47Å; M29-F33 PolarHBondContact O-N 2.79Å; M29-F33 HydrophobicContact SD-CZ 4.43Å; M29-D111 WeakPolarHBondContact CE-OD1 3.5Å; M29-D111 WeakPolarHBondContact CG-OD1 3.47Å; M29-D111 HydrophobicContact SD-CB 4.34Å; M29-I114 HydrophobicContact CE-CB 4.21Å; M29-I114 HydrophobicContact CE-CG2 3.94Å; M29-I114 HydrophobicContact SD-CB 3.98Å; M29-I114 HydrophobicContact SD-CD1 3.89Å; M29-I114 HydrophobicContact SD-CG2 3.8Å; M29-R115 HydrophobicContact CE-CG 3.58Å
30D89.6Confident76.7Confident72 Ų7299.6 Ų99.639%0.38548%0.483SS..Hα-helixtrans-51.5-48.6-175-71.68.1000113.3H27 F28 F32 F33 E34H27-D30 WeakPolarHBondContact CA-OD2 3.44Å; H27-D30 IonicContact CE1-OD2 3.59Å; H27-D30 IonicContact CG-OD2 2.76Å; H27-D30 IonicContact ND1-OD2 3.13Å; H27-D30 PolarHBondContact ND1-OD2 2.92Å; F28-D30 PolarHBondContact O-N 3.32Å; D30-F32 VanDerWaalsContact C-N 3.28Å; D30-F32 PolarHBondContact O-N 3.12Å; D30-F33 PolarHBondContact O-N 3.26Å; D30-E34 WeakPolarHBondContact O-CB 3.25Å; D30-E34 PolarHBondContact O-N 3.22Å
31E89.4Confident79.1Confident143 Ų14398 Ų9867%0.66847%0.473SS*.Hα-helixtrans-60.4-39.4178.2-174.8-176.2175.100111.8M29 E34 Q35M29-E31 VanDerWaalsContact C-N 3.34Å; M29-E31 PolarHBondContact O-N 2.87Å; E31-E34 PolarHBondContact O-N 2.98Å; E31-Q35 WeakPolarHBondContact O-CG 3.48Å; E31-Q35 PolarHBondContact O-N 2.84Å
32F90.8Very high81.5Confident5 Ų593.2 Ų93.22%0.02245%0.445CS..Hα-helixtrans-68.4-42.7177.3172.8-101.9000111.5M29 D30 E34 Q35 V36 I95 I114 R115 Q118M29-F32 HydrophobicContact CB-CB 4.28Å; M29-F32 HydrophobicContact CE-CB 4.12Å; M29-F32 HydrophobicContact CE-CD1 3.32Å; M29-F32 HydrophobicContact CE-CE1 3.86Å; M29-F32 HydrophobicContact CE-CG 3.75Å; M29-F32 WeakPolarHBondContact O-CA 3.34Å; M29-F32 WeakPolarHBondContact O-CB 3.39Å; M29-F32 PolarHBondContact O-N 3.39Å; M29-F32 HydrophobicContact SD-CD1 4.48Å; D30-F32 VanDerWaalsContact C-N 3.28Å; D30-F32 PolarHBondContact O-N 3.12Å; F32-E34 VanDerWaalsContact C-N 3.33Å; F32-E34 PolarHBondContact O-N 2.96Å; F32-Q35 WeakPolarHBondContact O-CB 3.41Å; F32-Q35 PolarHBondContact O-N 3.47Å; F32-V36 HydrophobicContact CD1-CG2 4.19Å; F32-V36 HydrophobicContact CD2-CG2 4.49Å; F32-V36 HydrophobicContact CE1-CG2 3.64Å; F32-V36 HydrophobicContact CE2-CG2 3.96Å; F32-V36 HydrophobicContact CZ-CG2 3.49Å; F32-V36 VanDerWaalsContact CZ-CG2 3.49Å; F32-V36 WeakPolarHBondContact O-CG2 3.46Å; F32-V36 PolarHBondContact O-N 3.06Å; F32-I95 HydrophobicContact CE2-CD1 4.09Å; F32-I95 HydrophobicContact CE2-CG1 4.25Å; F32-I95 HydrophobicContact CE2-CG2 3.96Å; F32-I114 HydrophobicContact CE1-CG2 4.05Å; F32-R115 HydrophobicContact CD1-CG 4.48Å; F32-R115 HydrophobicContact CD2-CG 4.08Å; F32-R115 HydrophobicContact CE1-CG 4.25Å; F32-R115 HydrophobicContact CE2-CB 4.24Å; F32-R115 HydrophobicContact CE2-CG 3.85Å; F32-R115 HydrophobicContact CG-CG 4.39Å; F32-R115 HydrophobicContact CZ-CB 4.14Å; F32-R115 HydrophobicContact CZ-CG 3.94Å; F32-Q118 HydrophobicContact CE1-CB 4.04Å; F32-Q118 HydrophobicContact CE1-CG 3.95Å; F32-Q118 HydrophobicContact CZ-CB 3.75Å; F32-Q118 HydrophobicContact CZ-CG 4.2Å
33F93.4Very high84.2Confident76 Ų7685 Ų8533%0.33341%0.406SS..Hα-helixtrans-67.6-33.5177.2-71.7-54.4000112.5F28 M29 D30 V36 E37 I114F28-F33 HydrophobicContact CD1-CE2 4.32Å; F28-F33 HydrophobicContact CE1-CE2 4.49Å; M29-F33 HydrophobicContact CB-CD2 3.78Å; M29-F33 HydrophobicContact CB-CE2 3.57Å; M29-F33 HydrophobicContact CB-CZ 4.31Å; M29-F33 WeakPolarHBondContact O-CD2 3.47Å; M29-F33 PolarHBondContact O-N 2.79Å; M29-F33 HydrophobicContact SD-CZ 4.43Å; D30-F33 PolarHBondContact O-N 3.26Å; F33-V36 PolarHBondContact O-N 3.45Å; F33-E37 WeakPolarHBondContact O-CB 3.05Å; F33-E37 PolarHBondContact O-N 3.27Å; F33-I114 HydrophobicContact CE1-CG2 4.04Å; F33-I114 HydrophobicContact CZ-CG2 4Å
34E94.3Very high86.4Confident141 Ų14183.2 Ų83.266%0.65939%0.393SS*.Hα-helixtrans-62.3-43.9170.9-172.3175.7-170.200111.1D30 E31 F32 E37 E38D30-E34 WeakPolarHBondContact O-CB 3.25Å; D30-E34 PolarHBondContact O-N 3.22Å; E31-E34 PolarHBondContact O-N 2.98Å; F32-E34 VanDerWaalsContact C-N 3.33Å; F32-E34 PolarHBondContact O-N 2.96Å; E34-E37 PolarHBondContact O-N 3.21Å; E34-E38 WeakPolarHBondContact O-CB 3.31Å; E34-E38 PolarHBondContact O-N 3.29Å
35Q94.4Very high88.8Confident63 Ų6379.4 Ų79.429%0.29437%0.369SS..Hα-helixtrans-62.6-42.8174.3-70.5177.313.700112.5E31 F32 E38 I39E31-Q35 WeakPolarHBondContact O-CG 3.48Å; E31-Q35 PolarHBondContact O-N 2.84Å; F32-Q35 WeakPolarHBondContact O-CB 3.41Å; F32-Q35 PolarHBondContact O-N 3.47Å; Q35-E38 PolarHBondContact O-N 2.82Å; Q35-I39 VanDerWaalsContact O-CG1 3.29Å; Q35-I39 WeakPolarHBondContact O-CG1 3.08Å; Q35-I39 PolarHBondContact O-N 3.3Å
36V94.9Very high90.8Very high12 Ų1269.1 Ų69.17%0.07333%0.33CS..Hα-helixtrans-60.4-46.8176.6161.60000111F32 F33 I39 R40 Q118 L122F32-V36 HydrophobicContact CD1-CG2 4.19Å; F32-V36 HydrophobicContact CD2-CG2 4.49Å; F32-V36 HydrophobicContact CE1-CG2 3.64Å; F32-V36 HydrophobicContact CE2-CG2 3.96Å; F32-V36 HydrophobicContact CZ-CG2 3.49Å; F32-V36 VanDerWaalsContact CZ-CG2 3.49Å; F32-V36 WeakPolarHBondContact O-CG2 3.46Å; F32-V36 PolarHBondContact O-N 3.06Å; F33-V36 PolarHBondContact O-N 3.45Å; V36-I39 PolarHBondContact O-N 2.91Å; V36-R40 WeakPolarHBondContact O-CB 3.42Å; V36-R40 PolarHBondContact O-N 2.92Å; V36-Q118 HydrophobicContact CG2-CB 4.03Å; V36-Q118 HydrophobicContact CG2-CG 4.36Å; V36-L122 HydrophobicContact CB-CD1 4.31Å; V36-L122 HydrophobicContact CG1-CD1 4.1Å; V36-L122 HydrophobicContact CG2-CD1 4.12Å
37E95.8Very high92.9Very high92 Ų9265.4 Ų65.443%0.4332%0.315SS..Hα-helixtrans-67-38.9179.9-171.158.5-159.200111.2F33 E34 I39 R40 V41F33-E37 WeakPolarHBondContact O-CB 3.05Å; F33-E37 PolarHBondContact O-N 3.27Å; E34-E37 PolarHBondContact O-N 3.21Å; E37-I39 VanDerWaalsContact C-N 3.34Å; E37-I39 PolarHBondContact O-N 3.45Å; E37-R40 WeakPolarHBondContact O-CB 3.5Å; E37-R40 PolarHBondContact O-N 3.12Å; E37-R40 IonicContact OE2-NH1 3.69Å; E37-V41 WeakPolarHBondContact O-CG2 3.5Å; E37-V41 PolarHBondContact O-N 3.3Å
38E96.6Very high94.2Very high72 Ų7263.9 Ų63.934%0.33631%0.307SS..Hα-helixtrans-62.3-41.4174.8-164.6-173.6155.100112.1E34 Q35 R40 C42 K87 K91E34-E38 WeakPolarHBondContact O-CB 3.31Å; E34-E38 PolarHBondContact O-N 3.29Å; Q35-E38 PolarHBondContact O-N 2.82Å; E38-R40 VanDerWaalsContact C-N 3.35Å; E38-C42 PolarHBondContact O-N 3.04Å; E38-C42 PolarHBondContact O-SG 2.86Å; E38-C42 VanDerWaalsContact O-SG 3.35Å; E38-K87 WeakPolarHBondContact OE1-CE 3.3Å; E38-K87 IonicContact OE1-NZ 2.68Å; E38-K87 PolarHBondContact OE1-NZ 3.34Å; E38-K91 WeakPolarHBondContact OE1-CE 3.27Å; E38-K91 IonicContact OE1-NZ 3.62Å; E38-K91 PolarHBondContact OE1-NZ 2.83Å; E38-K91 WeakPolarHBondContact OE2-CE 3.38Å; E38-K91 IonicContact OE2-NZ 2.71Å; E38-K91 PolarHBondContact OE2-NZ 3.29Å
39I97.1Very high95Very high0 Ų059 Ų590%029%0.286CS..Hα-helixtrans-62.8-45174.6-67.8166.4000110.3Q35 V36 E37 V41 C42 I43 V88 K91 L92 I95 L122Q35-I39 VanDerWaalsContact O-CG1 3.29Å; Q35-I39 WeakPolarHBondContact O-CG1 3.08Å; Q35-I39 PolarHBondContact O-N 3.3Å; V36-I39 PolarHBondContact O-N 2.91Å; E37-I39 VanDerWaalsContact C-N 3.34Å; E37-I39 PolarHBondContact O-N 3.45Å; I39-V41 PolarHBondContact O-N 2.92Å; I39-C42 PolarHBondContact O-N 2.96Å; I39-I43 HydrophobicContact CG2-CD1 3.74Å; I39-I43 HydrophobicContact CG2-CG1 4.29Å; I39-I43 WeakPolarHBondContact O-CG1 3.43Å; I39-I43 PolarHBondContact O-N 3.02Å; I39-V88 HydrophobicContact CG2-CG1 4.07Å; I39-K91 HydrophobicContact CD1-CB 3.65Å; I39-K91 HydrophobicContact CG1-CB 3.66Å; I39-K91 HydrophobicContact CG1-CD 3.78Å; I39-K91 HydrophobicContact CG1-CG 4.37Å; I39-L92 HydrophobicContact CD1-CD2 4.25Å; I39-L92 HydrophobicContact CG2-CD2 4.41Å; I39-I95 HydrophobicContact CD1-CD1 3.52Å; I39-L122 HydrophobicContact CB-CD1 4.09Å; I39-L122 HydrophobicContact CD1-CD1 4.15Å; I39-L122 HydrophobicContact CG2-CB 4.21Å; I39-L122 HydrophobicContact CG2-CD1 3.95Å; I39-L122 HydrophobicContact CG2-CD2 4.15Å; I39-L122 HydrophobicContact CG2-CG 4.35Å
40R97.3Very high95.6Very high123 Ų12358.3 Ų58.346%0.46428%0.283SS..Hα-helixtrans-58.9-47.7179.2-174.6-175.9-179.9178.73.6111.7V36 E37 E38 C42 I43 D44 L122V36-R40 WeakPolarHBondContact O-CB 3.42Å; V36-R40 PolarHBondContact O-N 2.92Å; E37-R40 WeakPolarHBondContact O-CB 3.5Å; E37-R40 PolarHBondContact O-N 3.12Å; E37-R40 IonicContact OE2-NH1 3.69Å; E38-R40 VanDerWaalsContact C-N 3.35Å; R40-C42 VanDerWaalsContact C-N 3.3Å; R40-C42 PolarHBondContact O-N 3.22Å; R40-I43 PolarHBondContact O-N 3.49Å; R40-I43 VanDerWaalsContact O-N 3.15Å; R40-D44 PolarHBondContact O-N 3.08Å; R40-L122 HydrophobicContact CB-CD2 4.29Å
41V97.9Very high96Very high84 Ų8458.9 Ų58.951%0.50928%0.284SS..Hα-helixtrans-59.9-40.9176.3170.60000111.1E37 I39 D44 K45E37-V41 WeakPolarHBondContact O-CG2 3.5Å; E37-V41 PolarHBondContact O-N 3.3Å; I39-V41 PolarHBondContact O-N 2.92Å; V41-D44 PolarHBondContact O-N 3.02Å; V41-K45 WeakPolarHBondContact O-CB 3.47Å; V41-K45 PolarHBondContact O-N 2.68Å
42C97.9Very high96.3Very high13 Ų1355.2 Ų55.29%0.08827%0.267CS..Hα-helixtrans-65.7-39.1175.4-71.90000112.9E38 I39 R40 K45 L46 T84 V88E38-C42 PolarHBondContact O-N 3.04Å; E38-C42 PolarHBondContact O-SG 2.86Å; E38-C42 VanDerWaalsContact O-SG 3.35Å; I39-C42 PolarHBondContact O-N 2.96Å; R40-C42 VanDerWaalsContact C-N 3.3Å; R40-C42 PolarHBondContact O-N 3.22Å; C42-K45 PolarHBondContact O-N 3.38Å; C42-L46 WeakPolarHBondContact O-CG 3.27Å; C42-L46 PolarHBondContact O-N 3.3Å; C42-T84 HydrophobicContact CB-CG2 3.81Å; C42-T84 WeakPolarHBondContact O-CG2 3.33Å; C42-V88 HydrophobicContact CB-CG2 3.44Å; C42-V88 VanDerWaalsContact CB-CG2 3.44Å
43I97.3Very high96.5Very high0 Ų055 Ų550%027%0.266CS..Hα-helixtrans-66.3-41.7175.6-68168.8000110.9I39 R40 K45 L46 S47 V88 L122 K125 F126 V129I39-I43 HydrophobicContact CG2-CD1 3.74Å; I39-I43 HydrophobicContact CG2-CG1 4.29Å; I39-I43 WeakPolarHBondContact O-CG1 3.43Å; I39-I43 PolarHBondContact O-N 3.02Å; R40-I43 PolarHBondContact O-N 3.49Å; R40-I43 VanDerWaalsContact O-N 3.15Å; I43-K45 VanDerWaalsContact C-N 3.35Å; I43-L46 WeakPolarHBondContact O-CB 3.37Å; I43-L46 PolarHBondContact O-N 3.09Å; I43-S47 PolarHBondContact O-N 2.97Å; I43-V88 HydrophobicContact CD1-CG1 4.36Å; I43-V88 HydrophobicContact CG1-CG1 4.08Å; I43-V88 HydrophobicContact CG1-CG2 4.19Å; I43-L122 HydrophobicContact CD1-CB 4.44Å; I43-L122 HydrophobicContact CD1-CD2 4.27Å; I43-K125 HydrophobicContact CG2-CB 4.43Å; I43-K125 HydrophobicContact CG2-CD 3.95Å; I43-K125 HydrophobicContact CG2-CG 3.84Å; I43-F126 HydrophobicContact CD1-CB 3.93Å; I43-F126 HydrophobicContact CG1-CB 4.2Å; I43-F126 HydrophobicContact CG1-CD2 4.43Å; I43-V129 HydrophobicContact CG2-CG2 4.04Å
44D97.8Very high96.6Very high68 Ų6853.8 Ų53.836%0.36426%0.26SS..Hα-helixtrans-65.1-40.4177.4-69.3-23000110.8R40 V41 S47 E48 K125R40-D44 PolarHBondContact O-N 3.08Å; V41-D44 PolarHBondContact O-N 3.02Å; D44-S47 WeakPolarHBondContact O-CB 3.4Å; D44-S47 PolarHBondContact O-N 3.16Å; D44-E48 PolarHBondContact O-N 3.46Å; D44-K125 IonicContact OD1-NZ 2.69Å; D44-K125 PolarHBondContact OD1-NZ 3.21Å
45K97.6Very high96.6Very high77 Ų7754 Ų5434%0.33526%0.259SS..Hα-helixtrans-59.4-46.7170.7-173.8-172.7174.2-165.80111.7V41 C42 I43 S47 E48 D49 D80V41-K45 WeakPolarHBondContact O-CB 3.47Å; V41-K45 PolarHBondContact O-N 2.68Å; C42-K45 PolarHBondContact O-N 3.38Å; I43-K45 VanDerWaalsContact C-N 3.35Å; K45-S47 VanDerWaalsContact C-N 3.27Å; K45-S47 PolarHBondContact O-N 3.37Å; K45-E48 WeakPolarHBondContact O-CB 3.45Å; K45-E48 PolarHBondContact O-N 3.21Å; K45-D49 WeakPolarHBondContact CE-OD2 3.36Å; K45-D49 PolarHBondContact O-N 2.93Å; K45-D80 IonicContact NZ-OD2 3.77Å; K45-D80 PolarHBondContact NZ-OD2 3.49Å
46L97.1Very high96.6Very high0 Ų052.5 Ų52.50%025%0.252CS..Hα-helixtrans-56.8-43.9177-77.8169.6000111.5C42 I43 E48 D49 V50 I81 T84 A85 V88 F126 V129C42-L46 WeakPolarHBondContact O-CG 3.27Å; C42-L46 PolarHBondContact O-N 3.3Å; I43-L46 WeakPolarHBondContact O-CB 3.37Å; I43-L46 PolarHBondContact O-N 3.09Å; L46-E48 VanDerWaalsContact C-N 3.28Å; L46-E48 PolarHBondContact O-N 3.42Å; L46-D49 PolarHBondContact O-N 3.29Å; L46-V50 WeakPolarHBondContact O-CB 3.49Å; L46-V50 WeakPolarHBondContact O-CG2 3.48Å; L46-V50 PolarHBondContact O-N 3.14Å; L46-I81 HydrophobicContact CD2-CB 4.26Å; L46-I81 HydrophobicContact CD2-CG1 4.37Å; L46-I81 HydrophobicContact CD2-CG2 4Å; L46-I81 WeakPolarHBondContact CD2-O 3.29Å; L46-T84 HydrophobicContact CD1-CG2 4.26Å; L46-T84 HydrophobicContact CD2-CG2 4.06Å; L46-T84 HydrophobicContact CG-CG2 3.73Å; L46-A85 HydrophobicContact CD1-CB 4.16Å; L46-A85 HydrophobicContact CD2-CB 4.12Å; L46-V88 HydrophobicContact CD1-CG2 4.24Å; L46-F126 HydrophobicContact CD1-CD2 3.95Å; L46-F126 HydrophobicContact CD1-CE2 3.66Å; L46-V129 HydrophobicContact CB-CG1 3.78Å
47S97.6Very high96.5Very high53 Ų5352.4 Ų52.437%0.37125%0.251SS..Hα-helixtrans-60.6-39.1176.8-1710000112I43 D44 K45 E51I43-S47 PolarHBondContact O-N 2.97Å; D44-S47 WeakPolarHBondContact O-CB 3.4Å; D44-S47 PolarHBondContact O-N 3.16Å; K45-S47 VanDerWaalsContact C-N 3.27Å; K45-S47 PolarHBondContact O-N 3.37Å; S47-E51 PolarHBondContact O-N 3.26Å
48E97.9Very high96.4Very high119 Ų11951.8 Ų51.856%0.55626%0.256SS*.Hα-helixtrans-66.6-47.3175.4-174178.9-179.300111.8D44 K45 L46 V50 E51 Q52D44-E48 PolarHBondContact O-N 3.46Å; K45-E48 WeakPolarHBondContact O-CB 3.45Å; K45-E48 PolarHBondContact O-N 3.21Å; L46-E48 VanDerWaalsContact C-N 3.28Å; L46-E48 PolarHBondContact O-N 3.42Å; E48-V50 VanDerWaalsContact C-N 3.28Å; E48-V50 PolarHBondContact O-N 3.13Å; E48-E51 WeakPolarHBondContact O-CB 3.42Å; E48-E51 PolarHBondContact O-N 3.21Å; E48-E51 VanDerWaalsContact O-N 3.1Å; E48-Q52 WeakPolarHBondContact O-CG 3.48Å; E48-Q52 PolarHBondContact O-N 3.03Å
49D97.3Very high96.2Very high9 Ų950.5 Ų50.55%0.04826%0.258CS..Hα-helixtrans-60.2-39.5179.4-65.9-20.5000110.9K45 L46 E51 Q52 V53 L77 I81K45-D49 WeakPolarHBondContact CE-OD2 3.36Å; K45-D49 PolarHBondContact O-N 2.93Å; L46-D49 PolarHBondContact O-N 3.29Å; D49-E51 PolarHBondContact O-N 2.74Å; D49-Q52 WeakPolarHBondContact O-CB 3.43Å; D49-Q52 PolarHBondContact O-N 3.46Å; D49-Q52 VanDerWaalsContact O-N 3.17Å; D49-V53 WeakPolarHBondContact O-CG2 3.46Å; D49-V53 PolarHBondContact O-N 2.94Å; D49-L77 HydrophobicContact CB-CD2 4.42Å; D49-I81 HydrophobicContact CB-CD1 3.91Å; D49-I81 HydrophobicContact CB-CG1 3.53Å
50V96.2Very high95.9Very high2 Ų250.6 Ų50.61%0.01226%0.259CS..Hα-helixtrans-60.6-42.6174.6172.30000111.6L46 E48 Q52 V53 K54 I81 V129 E132 Y133L46-V50 WeakPolarHBondContact O-CB 3.49Å; L46-V50 WeakPolarHBondContact O-CG2 3.48Å; L46-V50 PolarHBondContact O-N 3.14Å; E48-V50 VanDerWaalsContact C-N 3.28Å; E48-V50 PolarHBondContact O-N 3.13Å; V50-Q52 VanDerWaalsContact C-N 3.33Å; V50-V53 PolarHBondContact O-N 2.9Å; V50-K54 PolarHBondContact O-N 3.25Å; V50-K54 VanDerWaalsContact O-N 3.12Å; V50-I81 HydrophobicContact CG2-CD1 4.34Å; V50-V129 HydrophobicContact CG2-CG1 4.26Å; V50-E132 HydrophobicContact CG1-CG 4.24Å; V50-Y133 HydrophobicContact CG2-CD2 3.86Å; V50-Y133 HydrophobicContact CG2-CG 4.23Å
51E96.7Very high95.6Very high84 Ų8445.8 Ų45.839%0.39324%0.242SC..Hα-helixtrans-67.1-33.8175.4-71.5-5813500112.4S47 E48 D49 K54 K55S47-E51 PolarHBondContact O-N 3.26Å; E48-E51 WeakPolarHBondContact O-CB 3.42Å; E48-E51 PolarHBondContact O-N 3.21Å; E48-E51 VanDerWaalsContact O-N 3.1Å; D49-E51 PolarHBondContact O-N 2.74Å; E51-K54 PolarHBondContact O-N 3.47Å; E51-K54 IonicContact OE1-NZ 2.81Å; E51-K54 PolarHBondContact OE1-NZ 3.02Å; E51-K54 IonicContact OE2-NZ 3.3Å; E51-K55 WeakPolarHBondContact O-CG 3.41Å; E51-K55 PolarHBondContact O-N 3.39Å
52Q96.7Very high95.2Very high67 Ų6745.6 Ų45.631%0.31325%0.25SC..Hα-helixtrans-66.9-42.2172.9-65.9-174.535.100111.4E48 D49 V50 K54 K55 Q56 L77E48-Q52 WeakPolarHBondContact O-CG 3.48Å; E48-Q52 PolarHBondContact O-N 3.03Å; D49-Q52 WeakPolarHBondContact O-CB 3.43Å; D49-Q52 PolarHBondContact O-N 3.46Å; D49-Q52 VanDerWaalsContact O-N 3.17Å; V50-Q52 VanDerWaalsContact C-N 3.33Å; Q52-K54 VanDerWaalsContact C-N 3.31Å; Q52-K54 PolarHBondContact O-N 2.98Å; Q52-K55 WeakPolarHBondContact O-CB 3.45Å; Q52-K55 PolarHBondContact O-N 3.28Å; Q52-Q56 WeakPolarHBondContact O-CG 3.44Å; Q52-Q56 PolarHBondContact O-N 2.83Å; Q52-L77 HydrophobicContact CB-CD1 3.77Å; Q52-L77 HydrophobicContact CB-CD2 4.01Å
53V95.6Very high94.6Very high0 Ų046.6 Ų46.60%026%0.259CS..Hα-helixtrans-56.5-43.7174.5165.90000111.4D49 V50 K55 Q56 H57 L74 L77 I81 Y133 T136D49-V53 WeakPolarHBondContact O-CG2 3.46Å; D49-V53 PolarHBondContact O-N 2.94Å; V50-V53 PolarHBondContact O-N 2.9Å; V53-K55 VanDerWaalsContact C-N 3.3Å; V53-K55 PolarHBondContact O-N 3.36Å; V53-Q56 PolarHBondContact O-N 3.4Å; V53-H57 VanDerWaalsContact CG1-CD2 3.49Å; V53-H57 WeakPolarHBondContact CG1-CD2 3.37Å; V53-H57 VanDerWaalsContact CG1-NE2 3.29Å; V53-H57 WeakPolarHBondContact CG1-NE2 3.42Å; V53-H57 WeakPolarHBondContact O-CB 3.5Å; V53-H57 PolarHBondContact O-CD2 2.63Å; V53-H57 PolarHBondContact O-N 3.14Å; V53-L74 HydrophobicContact CB-CD1 4.4Å; V53-L74 HydrophobicContact CG1-CD1 3.96Å; V53-L74 HydrophobicContact CG2-CD1 4.14Å; V53-L77 HydrophobicContact CG2-CB 3.87Å; V53-L77 HydrophobicContact CG2-CD1 4.2Å; V53-I81 HydrophobicContact CG2-CD1 3.71Å; V53-Y133 HydrophobicContact CG1-CE2 4.43Å; V53-Y133 HydrophobicContact CG2-CE2 4.47Å; V53-T136 HydrophobicContact CG1-CG2 4.26Å
54K95.1Very high93.7Very high50 Ų5049.2 Ų49.222%0.21728%0.276CS..Hα-helixtrans-57-41.4175.1-70.5174-176.6173.50112.8V50 E51 Q52 S58 E132 T136V50-K54 PolarHBondContact O-N 3.25Å; V50-K54 VanDerWaalsContact O-N 3.12Å; E51-K54 PolarHBondContact O-N 3.47Å; E51-K54 IonicContact OE1-NZ 2.81Å; E51-K54 PolarHBondContact OE1-NZ 3.02Å; E51-K54 IonicContact OE2-NZ 3.3Å; Q52-K54 VanDerWaalsContact C-N 3.31Å; Q52-K54 PolarHBondContact O-N 2.98Å; K54-S58 WeakPolarHBondContact O-CB 3.12Å; K54-S58 PolarHBondContact O-N 2.96Å; K54-S58 VanDerWaalsContact O-N 3.08Å; K54-S58 PolarHBondContact O-OG 3.1Å; K54-E132 VanDerWaalsContact CE-OE1 3.31Å; K54-E132 WeakPolarHBondContact CE-OE1 3.48Å; K54-E132 IonicContact NZ-OE1 2.78Å; K54-E132 PolarHBondContact NZ-OE1 2.99Å; K54-T136 WeakPolarHBondContact CE-OG1 3.08Å; K54-T136 HydrophobicContact CG-CG2 3.47Å; K54-T136 VanDerWaalsContact CG-CG2 3.47Å
55K94.5Very high92.9Very high146 Ų14650.4 Ų50.464%0.63528%0.282SS*.Hα-helixtrans-66.6-45.4178-67.8172.6-175.21710111E51 Q52 V53 S58 A59E51-K55 WeakPolarHBondContact O-CG 3.41Å; E51-K55 PolarHBondContact O-N 3.39Å; Q52-K55 WeakPolarHBondContact O-CB 3.45Å; Q52-K55 PolarHBondContact O-N 3.28Å; V53-K55 VanDerWaalsContact C-N 3.3Å; V53-K55 PolarHBondContact O-N 3.36Å; K55-S58 WeakPolarHBondContact O-CB 3.4Å; K55-S58 PolarHBondContact O-N 3Å; K55-A59 PolarHBondContact O-N 3.06Å
56Q93.3Very high92.2Very high32 Ų3247.2 Ų47.215%0.1527%0.269CS..Hα-helixtrans-65.3-44.3179.2-62.2-61.19.200111.9Q52 V53 S58 A59 I60 T70 E73 L74 L77Q52-Q56 WeakPolarHBondContact O-CG 3.44Å; Q52-Q56 PolarHBondContact O-N 2.83Å; V53-Q56 PolarHBondContact O-N 3.4Å; Q56-S58 VanDerWaalsContact C-N 3.27Å; Q56-S58 PolarHBondContact O-N 3.23Å; Q56-A59 PolarHBondContact O-N 2.99Å; Q56-A59 VanDerWaalsContact O-N 3.12Å; Q56-I60 WeakPolarHBondContact O-CB 3.38Å; Q56-I60 VanDerWaalsContact O-CG1 3.25Å; Q56-I60 WeakPolarHBondContact O-CG1 3.38Å; Q56-I60 PolarHBondContact O-N 2.86Å; Q56-T70 VanDerWaalsContact OE1-CG2 3.29Å; Q56-E73 PolarHBondContact NE2-OE2 3.17Å; Q56-L74 HydrophobicContact CB-CB 4.33Å; Q56-L74 HydrophobicContact CB-CD1 4.32Å; Q56-L77 HydrophobicContact CG-CD1 3.91Å
57H93.9Very high91.7Very high9 Ų951.2 Ų51.24%0.04229%0.291CS..Hα-helixtrans-53.3-44.4171.3-79.4-24.3000112.6V53 I60 L61 Y140V53-H57 VanDerWaalsContact CG1-CD2 3.49Å; V53-H57 WeakPolarHBondContact CG1-CD2 3.37Å; V53-H57 VanDerWaalsContact CG1-NE2 3.29Å; V53-H57 WeakPolarHBondContact CG1-NE2 3.42Å; V53-H57 WeakPolarHBondContact O-CB 3.5Å; V53-H57 PolarHBondContact O-CD2 2.63Å; V53-H57 PolarHBondContact O-N 3.14Å; H57-I60 PolarHBondContact O-N 2.88Å; H57-L61 WeakPolarHBondContact O-CG 3.38Å; H57-L61 PolarHBondContact O-N 2.96Å; H57-Y140 HydrophobicContact CB-CD2 3.33Å; H57-Y140 HydrophobicContact CB-CE2 3.53Å; H57-Y140 HydrophobicContact CB-CG 4.1Å; H57-Y140 AromaticContact CD2-CD2 3.93Å; H57-Y140 AromaticContact CD2-CG 3.79Å; H57-Y140 AromaticContact CE1-CD1 3.54Å; H57-Y140 AromaticContact CE1-CE1 3.87Å; H57-Y140 AromaticContact CE1-CG 3.65Å; H57-Y140 AromaticContact CG-CD2 3.28Å; H57-Y140 AromaticContact CG-CE2 3.61Å; H57-Y140 AromaticContact CG-CG 3.55Å; H57-Y140 AromaticContact ND1-CD1 3.58Å; H57-Y140 AromaticContact ND1-CD2 3.41Å; H57-Y140 WeakPolarHBondContact ND1-CD2 3.26Å; H57-Y140 AromaticContact ND1-CE1 3.64Å; H57-Y140 AromaticContact ND1-CE2 3.4Å; H57-Y140 WeakPolarHBondContact ND1-CE2 3.47Å; H57-Y140 AromaticContact ND1-CG 3.46Å; H57-Y140 AromaticContact ND1-CZ 3.55Å; H57-Y140 AromaticContact NE2-CG 3.86Å; H57-Y140 WeakPolarHBondContact O-CE2 3.45Å
58S92.6Very high91.3Very high79 Ų7954.6 Ų54.655%0.55230%0.301SS*.Hα-helixtrans-65.1-41.6177.8-58.90000112.3K54 K55 Q56 L61 A62K54-S58 WeakPolarHBondContact O-CB 3.12Å; K54-S58 PolarHBondContact O-N 2.96Å; K54-S58 VanDerWaalsContact O-N 3.08Å; K54-S58 PolarHBondContact O-OG 3.1Å; K55-S58 WeakPolarHBondContact O-CB 3.4Å; K55-S58 PolarHBondContact O-N 3Å; Q56-S58 VanDerWaalsContact C-N 3.27Å; Q56-S58 PolarHBondContact O-N 3.23Å; S58-L61 PolarHBondContact O-N 3.17Å; S58-A62 WeakPolarHBondContact O-CB 3.45Å; S58-A62 PolarHBondContact O-N 3.36Å
59A92.1Very high91Very high46 Ų4655.7 Ų55.738%0.3830%0.304SS..Hα-helixtrans-64.9-44176.900000112K55 Q56 L61 A62 T70K55-A59 PolarHBondContact O-N 3.06Å; Q56-A59 PolarHBondContact O-N 2.99Å; Q56-A59 VanDerWaalsContact O-N 3.12Å; A59-L61 VanDerWaalsContact C-N 3.32Å; A59-L61 PolarHBondContact O-N 3.33Å; A59-A62 WeakPolarHBondContact O-CB 3.39Å; A59-A62 PolarHBondContact O-N 3.48Å; A59-A62 VanDerWaalsContact O-N 3.09Å; A59-T70 HydrophobicContact CB-CG2 4.19Å
60I91.4Very high90.6Very high2 Ų256.1 Ų56.11%0.0131%0.306CS..Hα-helixtrans-64-38.4179.2-69.6169.4000111.2Q56 H57 P66 T70 L74 Y140 R197 E200Q56-I60 WeakPolarHBondContact O-CB 3.38Å; Q56-I60 VanDerWaalsContact O-CG1 3.25Å; Q56-I60 WeakPolarHBondContact O-CG1 3.38Å; Q56-I60 PolarHBondContact O-N 2.86Å; H57-I60 PolarHBondContact O-N 2.88Å; I60-P66 HydrophobicContact CB-CB 4.35Å; I60-P66 HydrophobicContact CG1-CB 4.32Å; I60-P66 HydrophobicContact CG2-CB 4.06Å; I60-P66 HydrophobicContact CG2-CG 3.77Å; I60-T70 HydrophobicContact CD1-CG2 4.08Å; I60-T70 HydrophobicContact CG1-CG2 3.48Å; I60-T70 VanDerWaalsContact CG1-CG2 3.48Å; I60-L74 HydrophobicContact CD1-CB 4.17Å; I60-L74 HydrophobicContact CD1-CD2 3.56Å; I60-L74 HydrophobicContact CD1-CG 4.48Å; I60-Y140 WeakPolarHBondContact CG2-OH 3.49Å; I60-R197 VanDerWaalsContact CG2-NH1 3.32Å; I60-R197 PolarHBondContact O-NH1 3.04Å; I60-R197 PolarHBondContact O-NH2 2.78Å; I60-E200 WeakPolarHBondContact CG2-OE1 3.19Å
61L90.5Very high90.3Very high21 Ų2157.9 Ų57.911%0.1131%0.314CS..Hα-helixtrans-71.8-30.5173.5-72.4165.7000112.1H57 S58 A59 A63 Y140 R143 R147H57-L61 WeakPolarHBondContact O-CG 3.38Å; H57-L61 PolarHBondContact O-N 2.96Å; S58-L61 PolarHBondContact O-N 3.17Å; A59-L61 VanDerWaalsContact C-N 3.32Å; A59-L61 PolarHBondContact O-N 3.33Å; L61-A63 PolarHBondContact O-N 3.07Å; L61-Y140 HydrophobicContact CD1-CD2 3.7Å; L61-Y140 HydrophobicContact CD1-CE2 3.61Å; L61-Y140 HydrophobicContact CD2-CE2 4.22Å; L61-Y140 HydrophobicContact CG-CD2 4.24Å; L61-Y140 HydrophobicContact CG-CE2 3.62Å; L61-R143 HydrophobicContact CD1-CB 3.69Å; L61-R143 HydrophobicContact CD1-CG 4.34Å; L61-R143 HydrophobicContact CD2-CB 4.31Å; L61-R147 HydrophobicContact CD2-CG 4.43Å; L61-R147 PolarHBondContact O-NE 3.35Å; L61-R147 PolarHBondContact O-NH1 3.33Å; L61-R147 PolarHBondContact O-NH2 2.9Å
62A90.1Very high90.1Very high81 Ų8158.1 Ų58.167%0.66932%0.315SS*.Hα-helixtrans-65.3-25.5-176.600000113.6S58 A59S58-A62 WeakPolarHBondContact O-CB 3.45Å; S58-A62 PolarHBondContact O-N 3.36Å; A59-A62 WeakPolarHBondContact O-CB 3.39Å; A59-A62 PolarHBondContact O-N 3.48Å; A59-A62 VanDerWaalsContact O-N 3.09Å
63A85.8Confident89.9Confident33 Ų3358.1 Ų58.127%0.27332%0.315SS..SBendtrans-109.4137.2-18000000111.9L61 N65 R197L61-A63 PolarHBondContact O-N 3.07Å; A63-N65 VanDerWaalsContact C-N 3.27Å; A63-N65 PolarHBondContact O-N 3.36Å; A63-R197 PolarHBondContact O-NH2 2.64Å
64P78.8Confident89.8Confident55 Ų5559.2 Ų59.236%0.35732%0.321SS..SBendtrans-59.6-39.8171.3-23.233.3000112.3
65N79.9Confident89.7Confident93 Ų9360.3 Ų60.350%0.49733%0.327SS..SBendtrans-119.991.6176-67.7-17.2000108.4A63 N192A63-N65 VanDerWaalsContact C-N 3.27Å; A63-N65 PolarHBondContact O-N 3.36Å; N65-N192 PolarHBondContact OD1-OD1 2.85Å; N65-N192 VanDerWaalsContact OD1-OD1 3.11Å
66P83.6Confident89.7Confident11 Ų1157.5 Ų57.57%0.07132%0.318CS..  trans-66.6144.6177.710.6-4.8000110.3I60 T196I60-P66 HydrophobicContact CB-CB 4.35Å; I60-P66 HydrophobicContact CG1-CB 4.32Å; I60-P66 HydrophobicContact CG2-CB 4.06Å; I60-P66 HydrophobicContact CG2-CG 3.77Å; P66-T196 HydrophobicContact CG-CG2 4.25Å
67D87.1Confident89.8Confident84 Ų8456.7 Ų56.745%0.44932%0.315SS..  trans-68.3146.8177.865.5-73.7000111.2K69 T70 K71D67-K69 PolarHBondContact O-N 2.69Å; D67-K69 WeakPolarHBondContact OD2-CB 3.35Å; D67-K69 PolarHBondContact OD2-N 3.32Å; D67-T70 PolarHBondContact O-N 2.92Å; D67-T70 WeakPolarHBondContact OD1-CB 3.47Å; D67-T70 PolarHBondContact OD1-OG1 3.3Å; D67-T70 PolarHBondContact OD2-N 3.22Å; D67-T70 PolarHBondContact OD2-OG1 3.22Å; D67-K71 PolarHBondContact O-N 3.2Å
68E88.6Confident89.7Confident124 Ų12457.8 Ų57.858%0.57932%0.322SS*.Hα-helixtrans-64.4-26.3-175.9-160.660-159.600112.3K71 Q72E68-K71 PolarHBondContact O-N 2.97Å; E68-K71 IonicContact OE2-NZ 3.19Å; E68-Q72 WeakPolarHBondContact O-CB 3.43Å; E68-Q72 PolarHBondContact O-N 2.94Å
69K90.8Very high89.8Confident142 Ų14256.8 Ų56.862%0.61732%0.319SS*.Hα-helixtrans-66.8-47.9177.5176.8-175.9171.2-173.50111D67 K71 Q72 E73D67-K69 PolarHBondContact O-N 2.69Å; D67-K69 WeakPolarHBondContact OD2-CB 3.35Å; D67-K69 PolarHBondContact OD2-N 3.32Å; K69-K71 VanDerWaalsContact C-N 3.26Å; K69-K71 PolarHBondContact O-N 3.47Å; K69-Q72 PolarHBondContact O-N 3.12Å; K69-E73 WeakPolarHBondContact CE-OE1 3.46Å; K69-E73 IonicContact NZ-OE1 3.85Å; K69-E73 WeakPolarHBondContact O-CG 3.49Å; K69-E73 PolarHBondContact O-N 3.22Å
70T90.4Very high89.9Confident17 Ų1757.5 Ų57.510%0.10432%0.317CS..Hα-helixtrans-59-38.2175.3-59.50000111.8Q56 A59 I60 D67 L74Q56-T70 VanDerWaalsContact OE1-CG2 3.29Å; A59-T70 HydrophobicContact CB-CG2 4.19Å; I60-T70 HydrophobicContact CD1-CG2 4.08Å; I60-T70 HydrophobicContact CG1-CG2 3.48Å; I60-T70 VanDerWaalsContact CG1-CG2 3.48Å; D67-T70 PolarHBondContact O-N 2.92Å; D67-T70 WeakPolarHBondContact OD1-CB 3.47Å; D67-T70 PolarHBondContact OD1-OG1 3.3Å; D67-T70 PolarHBondContact OD2-N 3.22Å; D67-T70 PolarHBondContact OD2-OG1 3.22Å; T70-L74 PolarHBondContact O-N 3.5Å; T70-L74 VanDerWaalsContact O-N 3.12Å
71K89Confident90.1Very high40 Ų4057.4 Ų57.417%0.17432%0.316CS..Hα-helixtrans-65.3-45.1174.8-67.1-179.7-175.6171.50112.1D67 E68 K69 E73 L74 E75D67-K71 PolarHBondContact O-N 3.2Å; E68-K71 PolarHBondContact O-N 2.97Å; E68-K71 IonicContact OE2-NZ 3.19Å; K69-K71 VanDerWaalsContact C-N 3.26Å; K69-K71 PolarHBondContact O-N 3.47Å; K71-E73 VanDerWaalsContact C-N 3.35Å; K71-L74 PolarHBondContact O-N 3.24Å; K71-E75 PolarHBondContact O-N 3.05Å
72Q92.2Very high90.2Very high88 Ų8859.8 Ų59.841%0.41133%0.325SS..Hα-helixtrans-62-43.1176.8-173.363.15600111.4E68 K69 L74 E75 D76E68-Q72 WeakPolarHBondContact O-CB 3.43Å; E68-Q72 PolarHBondContact O-N 2.94Å; K69-Q72 PolarHBondContact O-N 3.12Å; Q72-L74 VanDerWaalsContact C-N 3.29Å; Q72-L74 PolarHBondContact O-N 2.97Å; Q72-E75 PolarHBondContact O-N 3.16Å; Q72-E75 VanDerWaalsContact O-N 3.14Å; Q72-D76 PolarHBondContact NE2-OD1 3.42Å; Q72-D76 VanDerWaalsContact O-CG 3.24Å; Q72-D76 PolarHBondContact O-N 3.39Å
73E93.4Very high90.4Very high68 Ų6863.1 Ų63.132%0.31833%0.325SS..Hα-helixtrans-60.1-38.2176.6-73.4176.5-17700111.9Q56 K69 K71 L77Q56-E73 PolarHBondContact NE2-OE2 3.17Å; K69-E73 WeakPolarHBondContact CE-OE1 3.46Å; K69-E73 IonicContact NZ-OE1 3.85Å; K69-E73 WeakPolarHBondContact O-CG 3.49Å; K69-E73 PolarHBondContact O-N 3.22Å; K71-E73 VanDerWaalsContact C-N 3.35Å; E73-L77 WeakPolarHBondContact O-CB 3.28Å; E73-L77 VanDerWaalsContact O-CG 3.27Å; E73-L77 WeakPolarHBondContact O-CG 3.14Å; E73-L77 PolarHBondContact O-N 3.13Å
74L93.6Very high90.9Very high23 Ų2362 Ų6212%0.1232%0.315CS..Hα-helixtrans-66.5-40.6174.4176.963.8000112.4V53 Q56 I60 T70 K71 Q72 L77 T78V53-L74 HydrophobicContact CB-CD1 4.4Å; V53-L74 HydrophobicContact CG1-CD1 3.96Å; V53-L74 HydrophobicContact CG2-CD1 4.14Å; Q56-L74 HydrophobicContact CB-CB 4.33Å; Q56-L74 HydrophobicContact CB-CD1 4.32Å; I60-L74 HydrophobicContact CD1-CB 4.17Å; I60-L74 HydrophobicContact CD1-CD2 3.56Å; I60-L74 HydrophobicContact CD1-CG 4.48Å; T70-L74 PolarHBondContact O-N 3.5Å; T70-L74 VanDerWaalsContact O-N 3.12Å; K71-L74 PolarHBondContact O-N 3.24Å; Q72-L74 VanDerWaalsContact C-N 3.29Å; Q72-L74 PolarHBondContact O-N 2.97Å; L74-L77 PolarHBondContact O-N 2.9Å; L74-T78 WeakPolarHBondContact O-CB 3.49Å; L74-T78 PolarHBondContact O-N 3.31Å; L74-T78 PolarHBondContact O-OG1 2.88Å
75E91.9Very high91.6Very high73 Ų7359.4 Ų59.434%0.34130%0.298SS..Hα-helixtrans-64.6-42.6176.3-72.3-178.5-170.900111.8K71 Q72 T78 A79 K203K71-E75 PolarHBondContact O-N 3.05Å; Q72-E75 PolarHBondContact O-N 3.16Å; Q72-E75 VanDerWaalsContact O-N 3.14Å; E75-T78 WeakPolarHBondContact O-CB 3.42Å; E75-T78 PolarHBondContact O-N 2.89Å; E75-A79 PolarHBondContact O-N 3.29Å; E75-K203 WeakPolarHBondContact OE1-CE 3.45Å; E75-K203 IonicContact OE1-NZ 3.29Å; E75-K203 PolarHBondContact OE1-NZ 3.06Å
76D94.9Very high92.2Very high86 Ų8657.1 Ų57.146%0.4629%0.286SS..Hα-helixtrans-62.6-45.6176.8-66.9-13.2000110.7Q72 T78 A79 D80Q72-D76 PolarHBondContact NE2-OD1 3.42Å; Q72-D76 VanDerWaalsContact O-CG 3.24Å; Q72-D76 PolarHBondContact O-N 3.39Å; D76-T78 VanDerWaalsContact C-N 3.32Å; D76-T78 PolarHBondContact O-N 2.92Å; D76-A79 PolarHBondContact O-N 2.93Å; D76-D80 WeakPolarHBondContact O-CB 3.3Å; D76-D80 PolarHBondContact O-N 3.26Å
77L95.2Very high92.8Very high15 Ų1560.9 Ų60.98%0.07930%0.301CS..Hα-helixtrans-59.7-41.7174.2-76.3169.5000112.1D49 Q52 V53 Q56 E73 L74 A79 D80 I81D49-L77 HydrophobicContact CB-CD2 4.42Å; Q52-L77 HydrophobicContact CB-CD1 3.77Å; Q52-L77 HydrophobicContact CB-CD2 4.01Å; V53-L77 HydrophobicContact CG2-CB 3.87Å; V53-L77 HydrophobicContact CG2-CD1 4.2Å; Q56-L77 HydrophobicContact CG-CD1 3.91Å; E73-L77 WeakPolarHBondContact O-CB 3.28Å; E73-L77 VanDerWaalsContact O-CG 3.27Å; E73-L77 WeakPolarHBondContact O-CG 3.14Å; E73-L77 PolarHBondContact O-N 3.13Å; L74-L77 PolarHBondContact O-N 2.9Å; L77-A79 VanDerWaalsContact C-N 3.35Å; L77-A79 PolarHBondContact O-N 2.94Å; L77-D80 PolarHBondContact O-N 2.96Å; L77-I81 WeakPolarHBondContact O-CB 3.47Å; L77-I81 VanDerWaalsContact O-CG1 3.28Å; L77-I81 WeakPolarHBondContact O-CG1 3.39Å; L77-I81 PolarHBondContact O-N 3.23Å
78T92.8Very high93.1Very high32 Ų3256.9 Ų56.920%0.19628%0.28CS..Hα-helixtrans-63.5-42.5178.3-58.80000111.2L74 E75 D76 K82 S207L74-T78 WeakPolarHBondContact O-CB 3.49Å; L74-T78 PolarHBondContact O-N 3.31Å; L74-T78 PolarHBondContact O-OG1 2.88Å; E75-T78 WeakPolarHBondContact O-CB 3.42Å; E75-T78 PolarHBondContact O-N 2.89Å; D76-T78 VanDerWaalsContact C-N 3.32Å; D76-T78 PolarHBondContact O-N 2.92Å; T78-K82 WeakPolarHBondContact O-CB 3.34Å; T78-K82 PolarHBondContact O-N 3.39Å; T78-S207 VanDerWaalsContact CG2-OG 3.28Å; T78-S207 WeakPolarHBondContact CG2-OG 3.49Å
79A93.2Very high93.3Very high58 Ų5854.1 Ų54.148%0.47926%0.264SS..Hα-helixtrans-65-41175.800000112.1E75 D76 L77 K82 K83E75-A79 PolarHBondContact O-N 3.29Å; D76-A79 PolarHBondContact O-N 2.93Å; L77-A79 VanDerWaalsContact C-N 3.35Å; L77-A79 PolarHBondContact O-N 2.94Å; A79-K82 PolarHBondContact O-N 3.49Å; A79-K83 WeakPolarHBondContact O-CB 3.41Å; A79-K83 PolarHBondContact O-N 2.77Å
80D95.3Very high93.4Very high62 Ų6251.1 Ų51.133%0.33226%0.26SS..Hα-helixtrans-65.9-42.2177.8-103.123.5000112.5K45 D76 L77 K83 T84K45-D80 IonicContact NZ-OD2 3.77Å; K45-D80 PolarHBondContact NZ-OD2 3.49Å; D76-D80 WeakPolarHBondContact O-CB 3.3Å; D76-D80 PolarHBondContact O-N 3.26Å; L77-D80 PolarHBondContact O-N 2.96Å; D80-K83 PolarHBondContact O-N 3.24Å; D80-T84 WeakPolarHBondContact O-CB 3.41Å; D80-T84 PolarHBondContact O-N 3.37Å; D80-T84 PolarHBondContact O-OG1 3.18Å
81I94.9Very high93.6Very high0 Ų052.3 Ų52.30%026%0.264CS..Hα-helixtrans-59.3-50.8172.9-73.4170.3000109.6L46 D49 V50 V53 L77 K83 T84 A85 Y133L46-I81 HydrophobicContact CD2-CB 4.26Å; L46-I81 HydrophobicContact CD2-CG1 4.37Å; L46-I81 HydrophobicContact CD2-CG2 4Å; L46-I81 WeakPolarHBondContact CD2-O 3.29Å; D49-I81 HydrophobicContact CB-CD1 3.91Å; D49-I81 HydrophobicContact CB-CG1 3.53Å; V50-I81 HydrophobicContact CG2-CD1 4.34Å; V53-I81 HydrophobicContact CG2-CD1 3.71Å; L77-I81 WeakPolarHBondContact O-CB 3.47Å; L77-I81 VanDerWaalsContact O-CG1 3.28Å; L77-I81 WeakPolarHBondContact O-CG1 3.39Å; L77-I81 PolarHBondContact O-N 3.23Å; I81-K83 VanDerWaalsContact C-N 3.33Å; I81-K83 PolarHBondContact O-N 3.04Å; I81-T84 PolarHBondContact O-N 3.5Å; I81-A85 WeakPolarHBondContact O-CB 3.23Å; I81-A85 PolarHBondContact O-N 3.41Å; I81-Y133 HydrophobicContact CD1-CD2 3.83Å; I81-Y133 HydrophobicContact CD1-CE2 3.47Å; I81-Y133 VanDerWaalsContact CD1-CE2 3.47Å; I81-Y133 HydrophobicContact CG2-CD2 4.4Å; I81-Y133 HydrophobicContact CG2-CE1 4.4Å; I81-Y133 HydrophobicContact CG2-CE2 4.2Å
82K92.8Very high93.7Very high70 Ų7050.6 Ų50.630%0.30426%0.257SS..Hα-helixtrans-57.5-45.1178.7-179.4-179.5-178.2178.40112T78 A79 N86 E210T78-K82 WeakPolarHBondContact O-CB 3.34Å; T78-K82 PolarHBondContact O-N 3.39Å; A79-K82 PolarHBondContact O-N 3.49Å; K82-N86 WeakPolarHBondContact O-CB 3.4Å; K82-N86 PolarHBondContact O-N 3.45Å; K82-N86 PolarHBondContact O-ND2 3.3Å; K82-E210 WeakPolarHBondContact CE-OE2 3.43Å; K82-E210 IonicContact NZ-OE1 2.64Å; K82-E210 PolarHBondContact NZ-OE1 3.06Å; K82-E210 IonicContact NZ-OE2 3.73Å; K82-E210 PolarHBondContact NZ-OE2 3.4Å
83K94.4Very high93.6Very high151 Ų15151.3 Ų51.366%0.65726%0.259SS*.Hα-helixtrans-64.3-47.9179.6-178.5-179.2176.8-176.50111.4A79 D80 I81 N86 K87A79-K83 WeakPolarHBondContact O-CB 3.41Å; A79-K83 PolarHBondContact O-N 2.77Å; D80-K83 PolarHBondContact O-N 3.24Å; I81-K83 VanDerWaalsContact C-N 3.33Å; I81-K83 PolarHBondContact O-N 3.04Å; K83-N86 PolarHBondContact O-N 2.86Å; K83-K87 PolarHBondContact O-N 3.06Å
84T96.1Very high93.6Very high11 Ų1150.5 Ų50.57%0.06726%0.264CS..Hα-helixtrans-68.3-41.4-177.5-52.70000111.1C42 L46 D80 I81 N86 K87 V88C42-T84 HydrophobicContact CB-CG2 3.81Å; C42-T84 WeakPolarHBondContact O-CG2 3.33Å; L46-T84 HydrophobicContact CD1-CG2 4.26Å; L46-T84 HydrophobicContact CD2-CG2 4.06Å; L46-T84 HydrophobicContact CG-CG2 3.73Å; D80-T84 WeakPolarHBondContact O-CB 3.41Å; D80-T84 PolarHBondContact O-N 3.37Å; D80-T84 PolarHBondContact O-OG1 3.18Å; I81-T84 PolarHBondContact O-N 3.5Å; T84-N86 PolarHBondContact O-N 3.33Å; T84-K87 WeakPolarHBondContact O-CB 3.48Å; T84-K87 PolarHBondContact O-N 3.07Å; T84-V88 WeakPolarHBondContact O-CG2 3.01Å; T84-V88 PolarHBondContact O-N 3.27Å
85A93.9Very high93.5Very high0 Ų049.5 Ų49.50%026%0.258CS..Hα-helixtrans-64.6-40.3177.300000112.2L46 I81 K87 V88 R89 F126 M130 M214L46-A85 HydrophobicContact CD1-CB 4.16Å; L46-A85 HydrophobicContact CD2-CB 4.12Å; I81-A85 WeakPolarHBondContact O-CB 3.23Å; I81-A85 PolarHBondContact O-N 3.41Å; A85-K87 VanDerWaalsContact C-N 3.35Å; A85-K87 PolarHBondContact O-N 3.39Å; A85-V88 PolarHBondContact O-N 2.97Å; A85-R89 WeakPolarHBondContact O-CB 3.35Å; A85-R89 PolarHBondContact O-N 2.93Å; A85-F126 HydrophobicContact CB-CE2 3.97Å; A85-F126 HydrophobicContact CB-CZ 4.04Å; A85-F126 WeakPolarHBondContact O-CZ 3.45Å; A85-M130 HydrophobicContact CB-CE 4.18Å; A85-M130 HydrophobicContact CB-SD 3.87Å; A85-M214 HydrophobicContact CB-CE 3.61Å; A85-M214 HydrophobicContact CB-SD 3.6Å; A85-M214 VanDerWaalsContact CB-SD 3.6Å
86N92.8Very high93.3Very high45 Ų4548.3 Ų48.324%0.24125%0.253CS..Hα-helixtrans-63.4-39.6172.2-82.3-58.8000112.6K82 K83 T84 R89 S90K82-N86 WeakPolarHBondContact O-CB 3.4Å; K82-N86 PolarHBondContact O-N 3.45Å; K82-N86 PolarHBondContact O-ND2 3.3Å; K83-N86 PolarHBondContact O-N 2.86Å; T84-N86 PolarHBondContact O-N 3.33Å; N86-R89 PolarHBondContact O-N 3.47Å; N86-R89 PolarHBondContact OD1-NH2 3.21Å; N86-S90 PolarHBondContact O-N 2.96Å; N86-S90 PolarHBondContact O-OG 3.11Å
87K94.8Very high93.1Very high90 Ų9049.5 Ų49.539%0.39126%0.256SS..Hα-helixtrans-61.3-45.9175.5-174.8-176.4177.4-167.30111.5E38 K83 T84 A85 S90 K91E38-K87 WeakPolarHBondContact OE1-CE 3.3Å; E38-K87 IonicContact OE1-NZ 2.68Å; E38-K87 PolarHBondContact OE1-NZ 3.34Å; K83-K87 PolarHBondContact O-N 3.06Å; T84-K87 WeakPolarHBondContact O-CB 3.48Å; T84-K87 PolarHBondContact O-N 3.07Å; A85-K87 VanDerWaalsContact C-N 3.35Å; A85-K87 PolarHBondContact O-N 3.39Å; K87-S90 PolarHBondContact O-N 3.02Å; K87-K91 HydrophobicContact CG-CD 4.42Å; K87-K91 WeakPolarHBondContact O-CG 3.41Å; K87-K91 PolarHBondContact O-N 3.24Å; K87-K91 VanDerWaalsContact O-N 3.14Å
88V94.7Very high92.7Very high0 Ų050.3 Ų50.30%026%0.262CS..Hα-helixtrans-60.5-49.4175.8171.60000110.4I39 C42 I43 L46 T84 A85 S90 K91 L92 F126I39-V88 HydrophobicContact CG2-CG1 4.07Å; C42-V88 HydrophobicContact CB-CG2 3.44Å; C42-V88 VanDerWaalsContact CB-CG2 3.44Å; I43-V88 HydrophobicContact CD1-CG1 4.36Å; I43-V88 HydrophobicContact CG1-CG1 4.08Å; I43-V88 HydrophobicContact CG1-CG2 4.19Å; L46-V88 HydrophobicContact CD1-CG2 4.24Å; T84-V88 WeakPolarHBondContact O-CG2 3.01Å; T84-V88 PolarHBondContact O-N 3.27Å; A85-V88 PolarHBondContact O-N 2.97Å; V88-S90 PolarHBondContact O-N 3.18Å; V88-K91 PolarHBondContact O-N 2.83Å; V88-L92 HydrophobicContact CG1-CD1 3.82Å; V88-L92 HydrophobicContact CG1-CG 4.28Å; V88-L92 WeakPolarHBondContact O-CG 3.31Å; V88-L92 PolarHBondContact O-N 2.93Å; V88-F126 HydrophobicContact CB-CD2 4.19Å; V88-F126 HydrophobicContact CB-CE2 4.01Å; V88-F126 HydrophobicContact CB-CZ 4.19Å; V88-F126 HydrophobicContact CG1-CB 4.13Å; V88-F126 HydrophobicContact CG1-CD1 3.75Å; V88-F126 HydrophobicContact CG1-CD2 3.6Å; V88-F126 HydrophobicContact CG1-CE1 4.02Å; V88-F126 HydrophobicContact CG1-CE2 3.87Å; V88-F126 HydrophobicContact CG1-CG 3.54Å; V88-F126 HydrophobicContact CG1-CZ 4.07Å
89R92.2Very high92.4Very high66 Ų6649.3 Ų49.325%0.24926%0.256CS..Hα-helixtrans-54.3-49.8177.4-179.6175.764.5155.1-6.8112.2A85 N86 K91 L92 K93 F126 D217A85-R89 WeakPolarHBondContact O-CB 3.35Å; A85-R89 PolarHBondContact O-N 2.93Å; N86-R89 PolarHBondContact O-N 3.47Å; N86-R89 PolarHBondContact OD1-NH2 3.21Å; R89-K91 VanDerWaalsContact C-N 3.33Å; R89-K91 PolarHBondContact O-N 3.27Å; R89-L92 PolarHBondContact O-N 3.06Å; R89-K93 WeakPolarHBondContact O-CB 3.26Å; R89-K93 PolarHBondContact O-N 3.01Å; R89-F126 HydrophobicContact CB-CE1 4.38Å; R89-D217 IonicContact CZ-OD2 3.43Å; R89-D217 IonicContact NH1-OD2 2.62Å; R89-D217 PolarHBondContact NH1-OD2 3.03Å
90S92.8Very high92.2Very high78 Ų7852 Ų5255%0.54526%0.259SS..Hα-helixtrans-61.9-39.4-179.7-65.60000112.7N86 K87 V88 A94N86-S90 PolarHBondContact O-N 2.96Å; N86-S90 PolarHBondContact O-OG 3.11Å; K87-S90 PolarHBondContact O-N 3.02Å; V88-S90 PolarHBondContact O-N 3.18Å; S90-A94 PolarHBondContact O-N 2.9Å; S90-A94 VanDerWaalsContact O-N 3.08Å
91K94Very high91.7Very high43 Ų4355.9 Ų55.919%0.18727%0.274CS..Hα-helixtrans-70.6-41.9178.3-74.9174.6163.9-82.20112.6E38 I39 K87 V88 R89 K93 A94 I95E38-K91 WeakPolarHBondContact OE1-CE 3.27Å; E38-K91 IonicContact OE1-NZ 3.62Å; E38-K91 PolarHBondContact OE1-NZ 2.83Å; E38-K91 WeakPolarHBondContact OE2-CE 3.38Å; E38-K91 IonicContact OE2-NZ 2.71Å; E38-K91 PolarHBondContact OE2-NZ 3.29Å; I39-K91 HydrophobicContact CD1-CB 3.65Å; I39-K91 HydrophobicContact CG1-CB 3.66Å; I39-K91 HydrophobicContact CG1-CD 3.78Å; I39-K91 HydrophobicContact CG1-CG 4.37Å; K87-K91 HydrophobicContact CG-CD 4.42Å; K87-K91 WeakPolarHBondContact O-CG 3.41Å; K87-K91 PolarHBondContact O-N 3.24Å; K87-K91 VanDerWaalsContact O-N 3.14Å; V88-K91 PolarHBondContact O-N 2.83Å; R89-K91 VanDerWaalsContact C-N 3.33Å; R89-K91 PolarHBondContact O-N 3.27Å; K91-K93 VanDerWaalsContact C-N 3.34Å; K91-K93 PolarHBondContact O-N 2.82Å; K91-A94 WeakPolarHBondContact O-CB 3.44Å; K91-A94 PolarHBondContact O-N 3.06Å; K91-I95 WeakPolarHBondContact O-CG1 3.5Å; K91-I95 PolarHBondContact O-N 3.02Å; K91-I95 VanDerWaalsContact O-N 3.09Å
92L92.4Very high91Very high3 Ų357.6 Ų57.62%0.01628%0.282CS..Hα-helixtrans-59.7-46.1174.6-73.9174.1000110.9I39 V88 R89 A94 I95 E96 H119 L122 F126I39-L92 HydrophobicContact CD1-CD2 4.25Å; I39-L92 HydrophobicContact CG2-CD2 4.41Å; V88-L92 HydrophobicContact CG1-CD1 3.82Å; V88-L92 HydrophobicContact CG1-CG 4.28Å; V88-L92 WeakPolarHBondContact O-CG 3.31Å; V88-L92 PolarHBondContact O-N 2.93Å; R89-L92 PolarHBondContact O-N 3.06Å; L92-A94 VanDerWaalsContact C-N 3.29Å; L92-A94 PolarHBondContact O-N 3.17Å; L92-I95 WeakPolarHBondContact O-CB 3.45Å; L92-I95 PolarHBondContact O-N 3.46Å; L92-I95 VanDerWaalsContact O-N 3.08Å; L92-E96 PolarHBondContact O-N 2.94Å; L92-H119 PolarHBondContact O-CD2 3.24Å; L92-H119 PolarHBondContact O-NE2 2.64Å; L92-L122 HydrophobicContact CD2-CB 3.81Å; L92-F126 HydrophobicContact CD1-CB 4.32Å; L92-F126 HydrophobicContact CD1-CD1 3.81Å; L92-F126 HydrophobicContact CD1-CG 4.37Å
93K90.6Very high90.4Very high103 Ų10358.3 Ų58.345%0.44829%0.287SS..Hα-helixtrans-61.6-34.5176.6-166.7167.4-169.9163.10113.3R89 K91 E96 Q97R89-K93 WeakPolarHBondContact O-CB 3.26Å; R89-K93 PolarHBondContact O-N 3.01Å; K91-K93 VanDerWaalsContact C-N 3.34Å; K91-K93 PolarHBondContact O-N 2.82Å; K93-E96 PolarHBondContact O-N 3.37Å; K93-Q97 WeakPolarHBondContact O-CG 3.37Å; K93-Q97 PolarHBondContact O-N 3.36Å
94A92.2Very high89.4Confident51 Ų5154.3 Ų54.342%0.42129%0.288SS..Hα-helixtrans-66.8-39.8174.200000111.9S90 K91 L92 S98S90-A94 PolarHBondContact O-N 2.9Å; S90-A94 VanDerWaalsContact O-N 3.08Å; K91-A94 WeakPolarHBondContact O-CB 3.44Å; K91-A94 PolarHBondContact O-N 3.06Å; L92-A94 VanDerWaalsContact C-N 3.29Å; L92-A94 PolarHBondContact O-N 3.17Å; A94-S98 PolarHBondContact O-N 2.96Å; A94-S98 VanDerWaalsContact O-N 3.09Å
95I90.8Very high88.4Confident2 Ų259.1 Ų59.11%0.0131%0.313CS..Hα-helixtrans-66.1-43174.6-65.6170.7000110.6F32 I39 K91 L92 Q97 S98 I99 H119F32-I95 HydrophobicContact CE2-CD1 4.09Å; F32-I95 HydrophobicContact CE2-CG1 4.25Å; F32-I95 HydrophobicContact CE2-CG2 3.96Å; I39-I95 HydrophobicContact CD1-CD1 3.52Å; K91-I95 WeakPolarHBondContact O-CG1 3.5Å; K91-I95 PolarHBondContact O-N 3.02Å; K91-I95 VanDerWaalsContact O-N 3.09Å; L92-I95 WeakPolarHBondContact O-CB 3.45Å; L92-I95 PolarHBondContact O-N 3.46Å; L92-I95 VanDerWaalsContact O-N 3.08Å; I95-Q97 PolarHBondContact O-N 3.41Å; I95-S98 WeakPolarHBondContact O-CB 3.44Å; I95-S98 PolarHBondContact O-N 3.25Å; I95-I99 HydrophobicContact CG2-CD1 3.87Å; I95-I99 HydrophobicContact CG2-CG1 4.44Å; I95-I99 WeakPolarHBondContact O-CG1 3.45Å; I95-I99 PolarHBondContact O-N 3.02Å; I95-H119 HydrophobicContact CG2-CB 3.82Å
96E89Confident86.9Confident48 Ų4866.5 Ų66.522%0.22435%0.352CS..Hα-helixtrans-55.4-50.7175.2-177179.4-149.300111.7L92 K93 S98 I99 E100 L221L92-E96 PolarHBondContact O-N 2.94Å; K93-E96 PolarHBondContact O-N 3.37Å; E96-S98 VanDerWaalsContact C-N 3.29Å; E96-S98 PolarHBondContact O-N 3.45Å; E96-I99 WeakPolarHBondContact O-CB 3.14Å; E96-I99 PolarHBondContact O-N 3.04Å; E96-E100 PolarHBondContact O-N 3.24Å; E96-L221 VanDerWaalsContact OE1-CD2 3.25Å; E96-L221 WeakPolarHBondContact OE1-CD2 3.5Å
97Q89.9Confident85.4Confident112 Ų11272.2 Ų72.252%0.52337%0.371SS..Hα-helixtrans-60.4-38.1177-72.3175.6-1.200112.7K93 I95 I99 E100 Q101K93-Q97 WeakPolarHBondContact O-CG 3.37Å; K93-Q97 PolarHBondContact O-N 3.36Å; I95-Q97 PolarHBondContact O-N 3.41Å; Q97-I99 VanDerWaalsContact C-N 3.33Å; Q97-E100 PolarHBondContact O-N 3.43Å; Q97-Q101 WeakPolarHBondContact O-CB 3.38Å; Q97-Q101 PolarHBondContact O-N 3.12Å
98S87.9Confident83.9Confident31 Ų3171.2 Ų71.222%0.21738%0.375CS..Hα-helixtrans-63.3-39.2174.4179.90000111.7A94 I95 E96 E102 R115A94-S98 PolarHBondContact O-N 2.96Å; A94-S98 VanDerWaalsContact O-N 3.09Å; I95-S98 WeakPolarHBondContact O-CB 3.44Å; I95-S98 PolarHBondContact O-N 3.25Å; E96-S98 VanDerWaalsContact C-N 3.29Å; E96-S98 PolarHBondContact O-N 3.45Å; S98-E102 WeakPolarHBondContact O-CG 3.33Å; S98-E102 PolarHBondContact O-N 2.68Å; S98-R115 PolarHBondContact OG-NH1 3.18Å
99I86.9Confident83Confident12 Ų1272.5 Ų72.56%0.06238%0.384CS..Hα-helixtrans-65.4-50177.2-70.1162.9000110.2I95 E96 Q97 Q101 E102 E103 L112 R115 K116 H119I95-I99 HydrophobicContact CG2-CD1 3.87Å; I95-I99 HydrophobicContact CG2-CG1 4.44Å; I95-I99 WeakPolarHBondContact O-CG1 3.45Å; I95-I99 PolarHBondContact O-N 3.02Å; E96-I99 WeakPolarHBondContact O-CB 3.14Å; E96-I99 PolarHBondContact O-N 3.04Å; Q97-I99 VanDerWaalsContact C-N 3.33Å; I99-Q101 VanDerWaalsContact C-N 3.29Å; I99-Q101 PolarHBondContact O-N 3.27Å; I99-E102 PolarHBondContact O-N 3.44Å; I99-E102 VanDerWaalsContact O-N 3.15Å; I99-E103 HydrophobicContact CG2-CG 4.45Å; I99-E103 WeakPolarHBondContact O-CG 3.47Å; I99-E103 PolarHBondContact O-N 2.86Å; I99-L112 HydrophobicContact CB-CD1 4.44Å; I99-L112 HydrophobicContact CG2-CD1 3.99Å; I99-R115 HydrophobicContact CD1-CB 4.2Å; I99-R115 HydrophobicContact CG1-CB 3.85Å; I99-K116 HydrophobicContact CD1-CG 4.14Å; I99-K116 HydrophobicContact CG1-CG 4.34Å; I99-K116 HydrophobicContact CG2-CD 4.33Å; I99-K116 HydrophobicContact CG2-CG 3.66Å; I99-H119 HydrophobicContact CD1-CB 3.79Å
100E86.9Confident82.2Confident115 Ų11571.7 Ų71.754%0.53739%0.392SS..Hα-helixtrans-58.9-40.3179.9-69.4179.7163.600112E96 Q97 E103 G104E96-E100 PolarHBondContact O-N 3.24Å; Q97-E100 PolarHBondContact O-N 3.43Å; E100-E103 PolarHBondContact O-N 2.85Å; E100-G104 PolarHBondContact O-N 2.95Å; E100-G104 VanDerWaalsContact O-N 3.11Å
101Q85.8Confident81.7Confident142 Ų14269.7 Ų69.766%0.66438%0.375SS*.Hα-helixtrans-64-41.3177.2-173.317911.300112.1Q97 I99Q97-Q101 WeakPolarHBondContact O-CB 3.38Å; Q97-Q101 PolarHBondContact O-N 3.12Å; I99-Q101 VanDerWaalsContact C-N 3.29Å; I99-Q101 PolarHBondContact O-N 3.27Å
102E80.3Confident81.2Confident36 Ų3668 Ų6817%0.16837%0.368CS..Hα-helixtrans-71.5-34.7178.5-77.2-173.7-14700112.9S98 I99 L105 L112 R115S98-E102 WeakPolarHBondContact O-CG 3.33Å; S98-E102 PolarHBondContact O-N 2.68Å; I99-E102 PolarHBondContact O-N 3.44Å; I99-E102 VanDerWaalsContact O-N 3.15Å; E102-L105 PolarHBondContact O-N 3.3Å; E102-L112 HydrophobicContact CB-CD1 3.89Å; E102-R115 IonicContact OE1-CZ 2.58Å; E102-R115 IonicContact OE1-NE 3.27Å; E102-R115 PolarHBondContact OE1-NE 2.9Å
103E79.8Confident80.6Confident86 Ų8670.4 Ų70.440%0.40238%0.377SS..Hα-helixtrans-63-42.6173.4-75.1-17313500112.3I99 E100 L105 N106 L112 K116I99-E103 HydrophobicContact CG2-CG 4.45Å; I99-E103 WeakPolarHBondContact O-CG 3.47Å; I99-E103 PolarHBondContact O-N 2.86Å; E100-E103 PolarHBondContact O-N 2.85Å; E103-L105 PolarHBondContact O-N 2.93Å; E103-L105 VanDerWaalsContact O-N 3.07Å; E103-N106 PolarHBondContact O-N 3.35Å; E103-L112 HydrophobicContact CG-CD1 4.35Å; E103-L112 HydrophobicContact CG-CD2 4.01Å; E103-K116 WeakPolarHBondContact OE1-CE 3.23Å; E103-K116 IonicContact OE1-NZ 2.7Å; E103-K116 PolarHBondContact OE1-NZ 3.06Å
104G74.1Confident80.4Confident66 Ų6667.9 Ų67.968%0.6837%0.367SS*.Hα-helixtrans-59.5-20176.500000113.8E100E100-G104 PolarHBondContact O-N 2.95Å; E100-G104 VanDerWaalsContact O-N 3.11Å
105L74.9Confident80.2Confident112 Ų11267.3 Ų67.359%0.58636%0.355SS*.THydrogen-bonded Turntrans-91.35176.4-61.8173.2000113.5E102 E103 R107E102-L105 PolarHBondContact O-N 3.3Å; E103-L105 PolarHBondContact O-N 2.93Å; E103-L105 VanDerWaalsContact O-N 3.07Å; L105-R107 HydrophobicContact CB-CG 4.29Å; L105-R107 PolarHBondContact O-N 3.39Å; L105-R107 VanDerWaalsContact O-N 3.17Å
106N62.3Low80Confident155 Ų15570.6 Ų70.683%0.82937%0.369SS*.THydrogen-bonded Turntrans53.728.9-175.9-87.6-43.7000113.8E103 S108E103-N106 PolarHBondContact O-N 3.35Å; N106-S108 VanDerWaalsContact C-N 3.35Å; N106-S108 PolarHBondContact O-N 2.81Å
107R61.6Low79.8Confident165 Ų16570.6 Ų70.662%0.62337%0.372SS*.  trans-87.971.3175.7-74.2-176.6169176.8-2.5110.1L105 S109 L112L105-R107 HydrophobicContact CB-CG 4.29Å; L105-R107 PolarHBondContact O-N 3.39Å; L105-R107 VanDerWaalsContact O-N 3.17Å; R107-S109 PolarHBondContact O-N 3.3Å; R107-L112 WeakPolarHBondContact O-CD2 3.44Å
108S63.6Low79.8Confident69 Ų6968.1 Ų68.148%0.48336%0.36SS..  trans-64.1105.6161-1740000106.9N106 F242N106-S108 VanDerWaalsContact C-N 3.35Å; N106-S108 PolarHBondContact O-N 2.81Å; S108-F242 WeakPolarHBondContact O-CE2 3.28Å; S108-F242 WeakPolarHBondContact O-CZ 3.42Å
109S74.3Confident79.9Confident28 Ų2867.1 Ų67.120%0.19635%0.352CS..  trans-134.7163.4-175.177.50000111R107 D111 L112 R113R107-S109 PolarHBondContact O-N 3.3Å; S109-D111 PolarHBondContact O-N 3.09Å; S109-D111 PolarHBondContact OG-N 3Å; S109-L112 PolarHBondContact OG-N 3.37Å; S109-L112 VanDerWaalsContact OG-N 3.1Å; S109-R113 WeakPolarHBondContact O-CG 3.44Å; S109-R113 PolarHBondContact O-N 2.88Å; S109-R113 PolarHBondContact O-NE 3.34Å
110A76.3Confident79.9Confident49 Ų4966.6 Ų66.641%0.40535%0.35SS..Hα-helixtrans-60.2-37.1171.700000111.5R113 I114A110-R113 PolarHBondContact O-N 3.04Å; A110-I114 VanDerWaalsContact O-CG1 3.28Å; A110-I114 WeakPolarHBondContact O-CG1 3.39Å; A110-I114 PolarHBondContact O-N 2.82Å
111D81.9Confident80Confident35 Ų3564.9 Ų64.919%0.18735%0.347CS..Hα-helixtrans-59.4-53.2176.3-173.398.9000111.7M29 S109 R113 I114 R115M29-D111 WeakPolarHBondContact CE-OD1 3.5Å; M29-D111 WeakPolarHBondContact CG-OD1 3.47Å; M29-D111 HydrophobicContact SD-CB 4.34Å; S109-D111 PolarHBondContact O-N 3.09Å; S109-D111 PolarHBondContact OG-N 3Å; D111-R113 VanDerWaalsContact C-N 3.28Å; D111-R113 PolarHBondContact O-N 3.28Å; D111-I114 WeakPolarHBondContact O-CB 3.45Å; D111-I114 PolarHBondContact O-N 2.89Å; D111-I114 VanDerWaalsContact O-N 3.1Å; D111-R115 WeakPolarHBondContact O-CG 3.46Å; D111-R115 PolarHBondContact O-N 3.44Å; D111-R115 IonicContact OD1-NH2 2.68Å; D111-R115 IonicContact OD2-CZ 2.98Å; D111-R115 IonicContact OD2-NE 2.66Å; D111-R115 PolarHBondContact OD2-NE 3.4Å; D111-R115 IonicContact OD2-NH2 2.85Å
112L83.1Confident80.3Confident8 Ų858.6 Ų58.64%0.04232%0.318CS..Hα-helixtrans-58.2-39.5178.9-179.760.5000112.4I99 E102 E103 R107 S109 R115 K116I99-L112 HydrophobicContact CB-CD1 4.44Å; I99-L112 HydrophobicContact CG2-CD1 3.99Å; E102-L112 HydrophobicContact CB-CD1 3.89Å; E103-L112 HydrophobicContact CG-CD1 4.35Å; E103-L112 HydrophobicContact CG-CD2 4.01Å; R107-L112 WeakPolarHBondContact O-CD2 3.44Å; S109-L112 PolarHBondContact OG-N 3.37Å; S109-L112 VanDerWaalsContact OG-N 3.1Å; L112-R115 PolarHBondContact O-N 2.88Å; L112-K116 HydrophobicContact CG-CD 4.43Å; L112-K116 WeakPolarHBondContact O-CG 3.35Å; L112-K116 PolarHBondContact O-N 3.24Å
113R81.3Confident80.8Confident53 Ų5357.1 Ų57.120%0.231%0.312CS..Hα-helixtrans-67-43.1177.6-71.6-177.7-67.6161.1-1.8111.8S109 A110 D111 R115 K116 T117 N235 S239S109-R113 WeakPolarHBondContact O-CG 3.44Å; S109-R113 PolarHBondContact O-N 2.88Å; S109-R113 PolarHBondContact O-NE 3.34Å; A110-R113 PolarHBondContact O-N 3.04Å; D111-R113 VanDerWaalsContact C-N 3.28Å; D111-R113 PolarHBondContact O-N 3.28Å; R113-R115 VanDerWaalsContact C-N 3.33Å; R113-R115 PolarHBondContact O-N 3.15Å; R113-K116 PolarHBondContact O-N 3.44Å; R113-T117 PolarHBondContact O-N 3Å; R113-T117 PolarHBondContact O-OG1 3.37Å; R113-T117 VanDerWaalsContact O-OG1 3.06Å; R113-N235 PolarHBondContact NH1-O 3.42Å; R113-S239 VanDerWaalsContact NH1-CA 3.31Å; R113-S239 PolarHBondContact NH1-OG 3.44Å
114I85Confident81.2Confident50 Ų5059.3 Ų59.326%0.25632%0.316SS..Hα-helixtrans-59.5-46.3174.9-69164.8000110.1F28 M29 F32 F33 A110 D111 K116 T117 Q118F28-I114 HydrophobicContact CE1-CD1 3.74Å; F28-I114 HydrophobicContact CZ-CD1 3.81Å; M29-I114 HydrophobicContact CE-CB 4.21Å; M29-I114 HydrophobicContact CE-CG2 3.94Å; M29-I114 HydrophobicContact SD-CB 3.98Å; M29-I114 HydrophobicContact SD-CD1 3.89Å; M29-I114 HydrophobicContact SD-CG2 3.8Å; F32-I114 HydrophobicContact CE1-CG2 4.05Å; F33-I114 HydrophobicContact CE1-CG2 4.04Å; F33-I114 HydrophobicContact CZ-CG2 4Å; A110-I114 VanDerWaalsContact O-CG1 3.28Å; A110-I114 WeakPolarHBondContact O-CG1 3.39Å; A110-I114 PolarHBondContact O-N 2.82Å; D111-I114 WeakPolarHBondContact O-CB 3.45Å; D111-I114 PolarHBondContact O-N 2.89Å; D111-I114 VanDerWaalsContact O-N 3.1Å; I114-K116 PolarHBondContact O-N 3.48Å; I114-T117 PolarHBondContact O-N 3.2Å; I114-Q118 HydrophobicContact CG2-CG 4.25Å; I114-Q118 WeakPolarHBondContact O-CB 3.43Å; I114-Q118 VanDerWaalsContact O-CG 3.27Å; I114-Q118 WeakPolarHBondContact O-CG 3.48Å; I114-Q118 PolarHBondContact O-N 3.48Å
115R88.9Confident82Confident40 Ų4059.4 Ų59.415%0.15130%0.298CS..Hα-helixtrans-57.3-50.1177.4-67.8179.2-175.7-92.3-9.1112.4M29 F32 S98 I99 E102 D111 L112 R113 Q118 H119M29-R115 HydrophobicContact CE-CG 3.58Å; F32-R115 HydrophobicContact CD1-CG 4.48Å; F32-R115 HydrophobicContact CD2-CG 4.08Å; F32-R115 HydrophobicContact CE1-CG 4.25Å; F32-R115 HydrophobicContact CE2-CB 4.24Å; F32-R115 HydrophobicContact CE2-CG 3.85Å; F32-R115 HydrophobicContact CG-CG 4.39Å; F32-R115 HydrophobicContact CZ-CB 4.14Å; F32-R115 HydrophobicContact CZ-CG 3.94Å; S98-R115 PolarHBondContact OG-NH1 3.18Å; I99-R115 HydrophobicContact CD1-CB 4.2Å; I99-R115 HydrophobicContact CG1-CB 3.85Å; E102-R115 IonicContact OE1-CZ 2.58Å; E102-R115 IonicContact OE1-NE 3.27Å; E102-R115 PolarHBondContact OE1-NE 2.9Å; D111-R115 WeakPolarHBondContact O-CG 3.46Å; D111-R115 PolarHBondContact O-N 3.44Å; D111-R115 IonicContact OD1-NH2 2.68Å; D111-R115 IonicContact OD2-CZ 2.98Å; D111-R115 IonicContact OD2-NE 2.66Å; D111-R115 PolarHBondContact OD2-NE 3.4Å; D111-R115 IonicContact OD2-NH2 2.85Å; L112-R115 PolarHBondContact O-N 2.88Å; R113-R115 VanDerWaalsContact C-N 3.33Å; R113-R115 PolarHBondContact O-N 3.15Å; R115-Q118 PolarHBondContact O-N 2.87Å; R115-H119 VanDerWaalsContact O-CB 3.24Å; R115-H119 WeakPolarHBondContact O-CB 3.44Å; R115-H119 PolarHBondContact O-N 3.26Å
116K85.9Confident82.8Confident71 Ų7154.2 Ų54.231%0.30927%0.271SS..Hα-helixtrans-59.5-47.8178.2-76.4178.1172-170.30112.9I99 E103 L112 R113 I114 S120I99-K116 HydrophobicContact CD1-CG 4.14Å; I99-K116 HydrophobicContact CG1-CG 4.34Å; I99-K116 HydrophobicContact CG2-CD 4.33Å; I99-K116 HydrophobicContact CG2-CG 3.66Å; E103-K116 WeakPolarHBondContact OE1-CE 3.23Å; E103-K116 IonicContact OE1-NZ 2.7Å; E103-K116 PolarHBondContact OE1-NZ 3.06Å; L112-K116 HydrophobicContact CG-CD 4.43Å; L112-K116 WeakPolarHBondContact O-CG 3.35Å; L112-K116 PolarHBondContact O-N 3.24Å; R113-K116 PolarHBondContact O-N 3.44Å; I114-K116 PolarHBondContact O-N 3.48Å; K116-S120 WeakPolarHBondContact O-CB 3.41Å; K116-S120 PolarHBondContact O-N 2.95Å
117T85Confident84.2Confident47 Ų4748.4 Ų48.429%0.28824%0.241SC..Hα-helixtrans-62.3-48.6179.7-58.90000110.9R113 I114 S120 T121R113-T117 PolarHBondContact O-N 3Å; R113-T117 PolarHBondContact O-OG1 3.37Å; R113-T117 VanDerWaalsContact O-OG1 3.06Å; I114-T117 PolarHBondContact O-N 3.2Å; T117-S120 PolarHBondContact O-N 2.64Å; T117-T121 PolarHBondContact O-N 2.92Å; T117-T121 PolarHBondContact O-OG1 3.49Å; T117-T121 VanDerWaalsContact O-OG1 3.12Å
118Q89.9Confident85.6Confident60 Ų6046.9 Ų46.928%0.2824%0.241SC..Hα-helixtrans-63.9-45.4179.6-70-65.3-1400112.2F32 V36 I114 R115 S120 T121 L122F32-Q118 HydrophobicContact CE1-CB 4.04Å; F32-Q118 HydrophobicContact CE1-CG 3.95Å; F32-Q118 HydrophobicContact CZ-CB 3.75Å; F32-Q118 HydrophobicContact CZ-CG 4.2Å; V36-Q118 HydrophobicContact CG2-CB 4.03Å; V36-Q118 HydrophobicContact CG2-CG 4.36Å; I114-Q118 HydrophobicContact CG2-CG 4.25Å; I114-Q118 WeakPolarHBondContact O-CB 3.43Å; I114-Q118 VanDerWaalsContact O-CG 3.27Å; I114-Q118 WeakPolarHBondContact O-CG 3.48Å; I114-Q118 PolarHBondContact O-N 3.48Å; R115-Q118 PolarHBondContact O-N 2.87Å; Q118-S120 PolarHBondContact O-N 3.21Å; Q118-T121 PolarHBondContact O-N 3.04Å; Q118-L122 WeakPolarHBondContact O-CB 3.4Å; Q118-L122 VanDerWaalsContact O-CG 3.28Å; Q118-L122 WeakPolarHBondContact O-CG 3.49Å; Q118-L122 PolarHBondContact O-N 3.23Å
119H90.2Very high87Confident10 Ų1044.3 Ų44.35%0.04622%0.222CC..Hα-helixtrans-53.8-44.5174.7177.5-102000111.3L92 I95 I99 R115 S123 Q225L92-H119 PolarHBondContact O-CD2 3.24Å; L92-H119 PolarHBondContact O-NE2 2.64Å; I95-H119 HydrophobicContact CG2-CB 3.82Å; I99-H119 HydrophobicContact CD1-CB 3.79Å; R115-H119 VanDerWaalsContact O-CB 3.24Å; R115-H119 WeakPolarHBondContact O-CB 3.44Å; R115-H119 PolarHBondContact O-N 3.26Å; H119-S123 VanDerWaalsContact O-CB 3.24Å; H119-S123 WeakPolarHBondContact O-CB 3.45Å; H119-S123 PolarHBondContact O-N 3.38Å; H119-S123 PolarHBondContact O-OG 3.44Å; H119-Q225 PolarHBondContact CE1-NE2 3.12Å
120S87.1Confident87.9Confident2 Ų243 Ų431%0.01421%0.213CC..Hα-helixtrans-70.2-44.6-178.9-171.40000113.9K116 T117 Q118 L122 S123 R124 Q225 I229K116-S120 WeakPolarHBondContact O-CB 3.41Å; K116-S120 PolarHBondContact O-N 2.95Å; T117-S120 PolarHBondContact O-N 2.64Å; Q118-S120 PolarHBondContact O-N 3.21Å; S120-L122 VanDerWaalsContact C-N 3.35Å; S120-L122 PolarHBondContact O-N 3.31Å; S120-S123 PolarHBondContact O-N 3.1Å; S120-R124 WeakPolarHBondContact O-CB 3.15Å; S120-R124 PolarHBondContact O-N 2.88Å; S120-Q225 PolarHBondContact OG-OE1 3.22Å; S120-I229 WeakPolarHBondContact OG-CD1 3.32Å
121T87.9Confident88.6Confident79 Ų7944 Ų4449%0.48521%0.214SC..Hα-helixtrans-59.6-46.5176.2-59.10000111.3T117 Q118 R124 K125T117-T121 PolarHBondContact O-N 2.92Å; T117-T121 PolarHBondContact O-OG1 3.49Å; T117-T121 VanDerWaalsContact O-OG1 3.12Å; Q118-T121 PolarHBondContact O-N 3.04Å; T121-R124 PolarHBondContact O-N 3.37Å; T121-K125 PolarHBondContact O-N 3.14Å; T121-K125 VanDerWaalsContact O-N 3.08Å
122L92.6Very high89.1Confident10 Ų1045.6 Ų45.65%0.05222%0.22CC..Hα-helixtrans-66.9-41.7179-66.7172.4000112.1V36 I39 R40 I43 L92 Q118 S120 R124 K125 F126V36-L122 HydrophobicContact CB-CD1 4.31Å; V36-L122 HydrophobicContact CG1-CD1 4.1Å; V36-L122 HydrophobicContact CG2-CD1 4.12Å; I39-L122 HydrophobicContact CB-CD1 4.09Å; I39-L122 HydrophobicContact CD1-CD1 4.15Å; I39-L122 HydrophobicContact CG2-CB 4.21Å; I39-L122 HydrophobicContact CG2-CD1 3.95Å; I39-L122 HydrophobicContact CG2-CD2 4.15Å; I39-L122 HydrophobicContact CG2-CG 4.35Å; R40-L122 HydrophobicContact CB-CD2 4.29Å; I43-L122 HydrophobicContact CD1-CB 4.44Å; I43-L122 HydrophobicContact CD1-CD2 4.27Å; L92-L122 HydrophobicContact CD2-CB 3.81Å; Q118-L122 WeakPolarHBondContact O-CB 3.4Å; Q118-L122 VanDerWaalsContact O-CG 3.28Å; Q118-L122 WeakPolarHBondContact O-CG 3.49Å; Q118-L122 PolarHBondContact O-N 3.23Å; S120-L122 VanDerWaalsContact C-N 3.35Å; S120-L122 PolarHBondContact O-N 3.31Å; L122-R124 PolarHBondContact O-N 2.94Å; L122-K125 PolarHBondContact O-N 2.97Å; L122-F126 WeakPolarHBondContact O-CB 3.48Å; L122-F126 PolarHBondContact O-N 3.36Å
123S90.9Very high89.7Confident5 Ų545.3 Ų45.34%0.03522%0.219CC..Hα-helixtrans-58.4-47.7175.9-64.70000111.3H119 S120 K125 F126 V127H119-S123 VanDerWaalsContact O-CB 3.24Å; H119-S123 WeakPolarHBondContact O-CB 3.45Å; H119-S123 PolarHBondContact O-N 3.38Å; H119-S123 PolarHBondContact O-OG 3.44Å; S120-S123 PolarHBondContact O-N 3.1Å; S123-K125 PolarHBondContact O-N 3.39Å; S123-F126 PolarHBondContact O-N 3.36Å; S123-V127 WeakPolarHBondContact O-CG2 3.41Å; S123-V127 PolarHBondContact O-N 3.49Å
124R87.4Confident90.2Very high131 Ų13145.2 Ų45.249%0.49422%0.222SC..Hα-helixtrans-60.5-47.5178.2-173.1-176.4-53.8-79.4-5.9111.9S120 T121 L122 F126 V127 E128S120-R124 WeakPolarHBondContact O-CB 3.15Å; S120-R124 PolarHBondContact O-N 2.88Å; T121-R124 PolarHBondContact O-N 3.37Å; L122-R124 PolarHBondContact O-N 2.94Å; R124-F126 VanDerWaalsContact C-N 3.31Å; R124-F126 PolarHBondContact O-N 3.43Å; R124-V127 PolarHBondContact O-N 2.99Å; R124-E128 PolarHBondContact O-N 3.37Å
125K91.6Very high90.5Very high68 Ų6845 Ų4530%0.29622%0.224SC..Hα-helixtrans-63.8-38.3179.5-164.3-179.8173.7-171.60111.6I43 D44 T121 L122 S123 E128 V129I43-K125 HydrophobicContact CG2-CB 4.43Å; I43-K125 HydrophobicContact CG2-CD 3.95Å; I43-K125 HydrophobicContact CG2-CG 3.84Å; D44-K125 IonicContact OD1-NZ 2.69Å; D44-K125 PolarHBondContact OD1-NZ 3.21Å; T121-K125 PolarHBondContact O-N 3.14Å; T121-K125 VanDerWaalsContact O-N 3.08Å; L122-K125 PolarHBondContact O-N 2.97Å; S123-K125 PolarHBondContact O-N 3.39Å; K125-E128 PolarHBondContact O-N 2.87Å; K125-V129 WeakPolarHBondContact O-CG2 3.18Å; K125-V129 PolarHBondContact O-N 2.99Å; K125-V129 VanDerWaalsContact O-N 3.14Å
126F92.8Very high90.8Very high3 Ų343.5 Ų43.51%0.01322%0.219CC..Hα-helixtrans-63.5-43.7174.3179.8-132.5000111.8I43 L46 A85 V88 R89 L92 L122 S123 R124 E128 V129 M130 M214 M218I43-F126 HydrophobicContact CD1-CB 3.93Å; I43-F126 HydrophobicContact CG1-CB 4.2Å; I43-F126 HydrophobicContact CG1-CD2 4.43Å; L46-F126 HydrophobicContact CD1-CD2 3.95Å; L46-F126 HydrophobicContact CD1-CE2 3.66Å; A85-F126 HydrophobicContact CB-CE2 3.97Å; A85-F126 HydrophobicContact CB-CZ 4.04Å; A85-F126 WeakPolarHBondContact O-CZ 3.45Å; V88-F126 HydrophobicContact CB-CD2 4.19Å; V88-F126 HydrophobicContact CB-CE2 4.01Å; V88-F126 HydrophobicContact CB-CZ 4.19Å; V88-F126 HydrophobicContact CG1-CB 4.13Å; V88-F126 HydrophobicContact CG1-CD1 3.75Å; V88-F126 HydrophobicContact CG1-CD2 3.6Å; V88-F126 HydrophobicContact CG1-CE1 4.02Å; V88-F126 HydrophobicContact CG1-CE2 3.87Å; V88-F126 HydrophobicContact CG1-CG 3.54Å; V88-F126 HydrophobicContact CG1-CZ 4.07Å; R89-F126 HydrophobicContact CB-CE1 4.38Å; L92-F126 HydrophobicContact CD1-CB 4.32Å; L92-F126 HydrophobicContact CD1-CD1 3.81Å; L92-F126 HydrophobicContact CD1-CG 4.37Å; L122-F126 WeakPolarHBondContact O-CB 3.48Å; L122-F126 PolarHBondContact O-N 3.36Å; S123-F126 PolarHBondContact O-N 3.36Å; R124-F126 VanDerWaalsContact C-N 3.31Å; R124-F126 PolarHBondContact O-N 3.43Å; F126-E128 PolarHBondContact O-N 2.62Å; F126-V129 PolarHBondContact O-N 3.27Å; F126-M130 HydrophobicContact CD2-CG 3.87Å; F126-M130 HydrophobicContact CE2-CG 3.48Å; F126-M130 VanDerWaalsContact CE2-CG 3.48Å; F126-M130 HydrophobicContact CE2-SD 3.86Å; F126-M130 HydrophobicContact CZ-CG 3.88Å; F126-M130 HydrophobicContact CZ-SD 4.42Å; F126-M130 WeakPolarHBondContact O-CG 3.37Å; F126-M130 PolarHBondContact O-N 2.87Å; F126-M214 HydrophobicContact CE1-SD 4.39Å; F126-M214 HydrophobicContact CZ-CG 4.4Å; F126-M214 HydrophobicContact CZ-SD 3.68Å; F126-M218 HydrophobicContact CB-CE 4.27Å; F126-M218 HydrophobicContact CD1-CE 3.2Å; F126-M218 HydrophobicContact CD1-CG 4.47Å; F126-M218 HydrophobicContact CD1-SD 3.83Å; F126-M218 HydrophobicContact CD2-CE 4.4Å; F126-M218 HydrophobicContact CE1-CE 3.47Å; F126-M218 VanDerWaalsContact CE1-CE 3.47Å; F126-M218 HydrophobicContact CE1-CG 4.21Å; F126-M218 HydrophobicContact CE1-SD 3.41Å; F126-M218 WeakPolarHBondContact CE1-SD 3.31Å; F126-M218 HydrophobicContact CG-CE 3.71Å; F126-M218 HydrophobicContact CZ-CE 4.18Å; F126-M218 HydrophobicContact CZ-SD 3.98Å
127V90.4Very high91.1Very high33 Ų3340.3 Ų40.320%0.221%0.205CC..Hα-helixtrans-60.4-43.9175.2178.20000112.2S123 R124 M130 T131 M218 V222S123-V127 WeakPolarHBondContact O-CG2 3.41Å; S123-V127 PolarHBondContact O-N 3.49Å; R124-V127 PolarHBondContact O-N 2.99Å; V127-M130 PolarHBondContact O-N 2.83Å; V127-T131 VanDerWaalsContact O-CB 3.27Å; V127-T131 WeakPolarHBondContact O-CB 3.47Å; V127-T131 PolarHBondContact O-N 2.85Å; V127-T131 PolarHBondContact O-OG1 3.09Å; V127-M218 HydrophobicContact CB-CE 3.78Å; V127-M218 HydrophobicContact CG2-CB 4.16Å; V127-M218 HydrophobicContact CG2-CE 3.33Å; V127-M218 VanDerWaalsContact N-CE 3.27Å; V127-V222 HydrophobicContact CB-CG2 4.35Å; V127-V222 HydrophobicContact CG1-CG2 4.31Å; V127-V222 HydrophobicContact CG2-CG2 3.48Å; V127-V222 VanDerWaalsContact CG2-CG2 3.48Å
128E90.6Very high91.5Very high134 Ų13440.5 Ų40.563%0.62621%0.208SC*.Hα-helixtrans-57.3-51.1177.1-174.5179.7177.800111.3R124 K125 F126 M130 T131 E132R124-E128 PolarHBondContact O-N 3.37Å; K125-E128 PolarHBondContact O-N 2.87Å; F126-E128 PolarHBondContact O-N 2.62Å; E128-M130 PolarHBondContact O-N 2.9Å; E128-T131 PolarHBondContact O-N 2.68Å; E128-E132 PolarHBondContact O-N 2.98Å
129V94.5Very high91.7Very high14 Ų1443.4 Ų43.49%0.08522%0.22CC..Hα-helixtrans-63.4-42.9179.7174.70000111.9I43 L46 V50 K125 F126 T131 E132 Y133I43-V129 HydrophobicContact CG2-CG2 4.04Å; L46-V129 HydrophobicContact CB-CG1 3.78Å; V50-V129 HydrophobicContact CG2-CG1 4.26Å; K125-V129 WeakPolarHBondContact O-CG2 3.18Å; K125-V129 PolarHBondContact O-N 2.99Å; K125-V129 VanDerWaalsContact O-N 3.14Å; F126-V129 PolarHBondContact O-N 3.27Å; V129-T131 VanDerWaalsContact C-N 3.34Å; V129-T131 PolarHBondContact O-N 3.48Å; V129-E132 PolarHBondContact O-N 2.99Å; V129-Y133 PolarHBondContact O-N 2.98Å
130M92.4Very high92Very high0 Ų043.4 Ų43.40%022%0.219CC..Hα-helixtrans-69.8-32.2179.2-67.3-53.7-58.400112.6A85 F126 V127 E128 Y133 N134 L211 M214 F215 M218A85-M130 HydrophobicContact CB-CE 4.18Å; A85-M130 HydrophobicContact CB-SD 3.87Å; F126-M130 HydrophobicContact CD2-CG 3.87Å; F126-M130 HydrophobicContact CE2-CG 3.48Å; F126-M130 VanDerWaalsContact CE2-CG 3.48Å; F126-M130 HydrophobicContact CE2-SD 3.86Å; F126-M130 HydrophobicContact CZ-CG 3.88Å; F126-M130 HydrophobicContact CZ-SD 4.42Å; F126-M130 WeakPolarHBondContact O-CG 3.37Å; F126-M130 PolarHBondContact O-N 2.87Å; V127-M130 PolarHBondContact O-N 2.83Å; E128-M130 PolarHBondContact O-N 2.9Å; M130-Y133 HydrophobicContact CE-CD1 4.3Å; M130-Y133 WeakPolarHBondContact O-CB 3.35Å; M130-Y133 PolarHBondContact O-N 2.86Å; M130-N134 PolarHBondContact O-N 2.58Å; M130-L211 HydrophobicContact CE-CD1 3.98Å; M130-L211 HydrophobicContact CE-CD2 4.26Å; M130-M214 HydrophobicContact CE-SD 3.94Å; M130-M214 HydrophobicContact SD-SD 4.5Å; M130-F215 HydrophobicContact CB-CE1 3.79Å; M130-F215 HydrophobicContact CB-CZ 4.32Å; M130-F215 HydrophobicContact CE-CZ 4.39Å; M130-F215 WeakPolarHBondContact O-CE1 3.38Å; M130-F215 WeakPolarHBondContact O-CZ 3.4Å; M130-M218 HydrophobicContact CB-CE 4.18Å; M130-M218 HydrophobicContact CB-SD 4.35Å; M130-M218 HydrophobicContact CG-CE 4.09Å; M130-M218 HydrophobicContact CG-SD 4.17Å
131T90.9Very high92.4Very high70 Ų7044.7 Ų44.743%0.42922%0.224SC..Hα-helixtrans-67.4-40173.4-57.80000110.9V127 E128 V129 Y133 N134 T135V127-T131 VanDerWaalsContact O-CB 3.27Å; V127-T131 WeakPolarHBondContact O-CB 3.47Å; V127-T131 PolarHBondContact O-N 2.85Å; V127-T131 PolarHBondContact O-OG1 3.09Å; E128-T131 PolarHBondContact O-N 2.68Å; V129-T131 VanDerWaalsContact C-N 3.34Å; V129-T131 PolarHBondContact O-N 3.48Å; T131-Y133 VanDerWaalsContact C-N 3.35Å; T131-N134 PolarHBondContact O-N 3.36Å; T131-T135 WeakPolarHBondContact O-CB 3.44Å; T131-T135 PolarHBondContact O-N 3.19Å; T131-T135 PolarHBondContact O-OG1 3.19Å
132E93.3Very high92.7Very high70 Ų7045 Ų4533%0.32722%0.222SC..Hα-helixtrans-65.4-38.3174.2-176.359.1-158.700111.8V50 K54 E128 V129 T135 T136V50-E132 HydrophobicContact CG1-CG 4.24Å; K54-E132 VanDerWaalsContact CE-OE1 3.31Å; K54-E132 WeakPolarHBondContact CE-OE1 3.48Å; K54-E132 IonicContact NZ-OE1 2.78Å; K54-E132 PolarHBondContact NZ-OE1 2.99Å; E128-E132 PolarHBondContact O-N 2.98Å; V129-E132 PolarHBondContact O-N 2.99Å; E132-T135 PolarHBondContact O-N 3.23Å; E132-T136 WeakPolarHBondContact O-CB 3.39Å; E132-T136 PolarHBondContact O-N 3.44Å; E132-T136 PolarHBondContact O-OG1 3.26Å
133Y94.1Very high92.8Very high2 Ų251.8 Ų51.81%0.00825%0.247CC..Hα-helixtrans-59.6-51.2171.6-179.2-109.1000111.4V50 V53 I81 V129 M130 T131 T135 T136 Q137 S207 L211V50-Y133 HydrophobicContact CG2-CD2 3.86Å; V50-Y133 HydrophobicContact CG2-CG 4.23Å; V53-Y133 HydrophobicContact CG1-CE2 4.43Å; V53-Y133 HydrophobicContact CG2-CE2 4.47Å; I81-Y133 HydrophobicContact CD1-CD2 3.83Å; I81-Y133 HydrophobicContact CD1-CE2 3.47Å; I81-Y133 VanDerWaalsContact CD1-CE2 3.47Å; I81-Y133 HydrophobicContact CG2-CD2 4.4Å; I81-Y133 HydrophobicContact CG2-CE1 4.4Å; I81-Y133 HydrophobicContact CG2-CE2 4.2Å; V129-Y133 PolarHBondContact O-N 2.98Å; M130-Y133 HydrophobicContact CE-CD1 4.3Å; M130-Y133 WeakPolarHBondContact O-CB 3.35Å; M130-Y133 PolarHBondContact O-N 2.86Å; T131-Y133 VanDerWaalsContact C-N 3.35Å; Y133-T135 VanDerWaalsContact C-N 3.32Å; Y133-T135 PolarHBondContact O-N 3.29Å; Y133-T136 WeakPolarHBondContact O-CB 2.98Å; Y133-T136 PolarHBondContact O-N 3.15Å; Y133-T136 VanDerWaalsContact O-N 3.1Å; Y133-Q137 HydrophobicContact CD1-CG 4.32Å; Y133-Q137 HydrophobicContact CD2-CG 4.49Å; Y133-Q137 HydrophobicContact CE1-CG 3.92Å; Y133-Q137 HydrophobicContact CE2-CG 4.17Å; Y133-Q137 WeakPolarHBondContact O-CG 3.32Å; Y133-Q137 PolarHBondContact O-N 2.58Å; Y133-Q137 PolarHBondContact OH-NE2 3.19Å; Y133-S207 PolarHBondContact OH-OG 3.47Å; Y133-S207 VanDerWaalsContact OH-OG 3.06Å; Y133-L211 HydrophobicContact CD1-CD1 3.8Å; Y133-L211 HydrophobicContact CE1-CD1 3.34Å
134N91.9Very high93Very high50 Ų5051.5 Ų51.527%0.26725%0.246SC..Hα-helixtrans-59.1-44.6178.3-172.657.8000111.8M130 T131 T136 Q137 S138 F215M130-N134 PolarHBondContact O-N 2.58Å; T131-N134 PolarHBondContact O-N 3.36Å; N134-T136 VanDerWaalsContact C-N 3.27Å; N134-T136 PolarHBondContact O-N 3.16Å; N134-Q137 PolarHBondContact O-N 2.66Å; N134-Q137 VanDerWaalsContact O-N 3.17Å; N134-S138 PolarHBondContact O-N 3.5Å; N134-S138 PolarHBondContact O-OG 2.72Å; N134-F215 HydrophobicContact CB-CE1 4.34Å; N134-F215 HydrophobicContact CB-CE2 4.26Å; N134-F215 HydrophobicContact CB-CZ 3.71Å
135T92.9Very high93.3Very high47 Ų4746.3 Ų46.329%0.28823%0.227SC..Hα-helixtrans-60.3-38.8176.5-59.80000111.7T131 E132 Y133 K139T131-T135 WeakPolarHBondContact O-CB 3.44Å; T131-T135 PolarHBondContact O-N 3.19Å; T131-T135 PolarHBondContact O-OG1 3.19Å; E132-T135 PolarHBondContact O-N 3.23Å; Y133-T135 VanDerWaalsContact C-N 3.32Å; Y133-T135 PolarHBondContact O-N 3.29Å; T135-K139 HydrophobicContact CG2-CD 4.2Å; T135-K139 WeakPolarHBondContact O-CB 3.43Å; T135-K139 VanDerWaalsContact O-CG 3.26Å; T135-K139 WeakPolarHBondContact O-CG 3.44Å; T135-K139 PolarHBondContact O-N 3.5Å
136T93.8Very high93.4Very high8 Ų846.8 Ų46.85%0.04923%0.232CC..Hα-helixtrans-63.7-45.2175.3-64.40000111.4V53 K54 E132 Y133 N134 K139 Y140V53-T136 HydrophobicContact CG1-CG2 4.26Å; K54-T136 WeakPolarHBondContact CE-OG1 3.08Å; K54-T136 HydrophobicContact CG-CG2 3.47Å; K54-T136 VanDerWaalsContact CG-CG2 3.47Å; E132-T136 WeakPolarHBondContact O-CB 3.39Å; E132-T136 PolarHBondContact O-N 3.44Å; E132-T136 PolarHBondContact O-OG1 3.26Å; Y133-T136 WeakPolarHBondContact O-CB 2.98Å; Y133-T136 PolarHBondContact O-N 3.15Å; Y133-T136 VanDerWaalsContact O-N 3.1Å; N134-T136 VanDerWaalsContact C-N 3.27Å; N134-T136 PolarHBondContact O-N 3.16Å; T136-K139 PolarHBondContact O-N 3.01Å; T136-Y140 PolarHBondContact O-N 2.84Å
137Q93.3Very high93.4Very high4 Ų450.5 Ų50.52%0.01925%0.246CC..Hα-helixtrans-63.8-48177.1-63.7-65-22.500111.2Y133 N134 K139 Y140 R141 L204 I208Y133-Q137 HydrophobicContact CD1-CG 4.32Å; Y133-Q137 HydrophobicContact CD2-CG 4.49Å; Y133-Q137 HydrophobicContact CE1-CG 3.92Å; Y133-Q137 HydrophobicContact CE2-CG 4.17Å; Y133-Q137 WeakPolarHBondContact O-CG 3.32Å; Y133-Q137 PolarHBondContact O-N 2.58Å; Y133-Q137 PolarHBondContact OH-NE2 3.19Å; N134-Q137 PolarHBondContact O-N 2.66Å; N134-Q137 VanDerWaalsContact O-N 3.17Å; Q137-K139 VanDerWaalsContact C-N 3.34Å; Q137-K139 PolarHBondContact O-N 3.27Å; Q137-Y140 WeakPolarHBondContact O-CB 3.45Å; Q137-Y140 PolarHBondContact O-N 3.01Å; Q137-R141 PolarHBondContact O-N 2.7Å; Q137-L204 HydrophobicContact CB-CD1 3.91Å; Q137-L204 HydrophobicContact CB-CD2 4.39Å; Q137-L204 HydrophobicContact CB-CG 4.07Å; Q137-L204 VanDerWaalsContact O-CD1 3.23Å; Q137-L204 WeakPolarHBondContact O-CD1 3.46Å; Q137-L204 VanDerWaalsContact OE1-CG 3.24Å; Q137-I208 HydrophobicContact CB-CD1 3.86Å; Q137-I208 HydrophobicContact CB-CG1 4.09Å; Q137-I208 HydrophobicContact CG-CG1 4.46Å
138S93.6Very high93.5Very high50 Ų5048.9 Ų48.935%0.3524%0.237SC..Hα-helixtrans-57.8-44.9176.9-59.90000112.3N134 Y140 R141 D142N134-S138 PolarHBondContact O-N 3.5Å; N134-S138 PolarHBondContact O-OG 2.72Å; S138-Y140 VanDerWaalsContact C-N 3.3Å; S138-Y140 PolarHBondContact O-N 3.3Å; S138-R141 WeakPolarHBondContact O-CB 3.39Å; S138-R141 PolarHBondContact O-N 2.94Å; S138-D142 PolarHBondContact O-N 3.47Å
139K94.6Very high93.6Very high122 Ų12244.1 Ų44.153%0.5321%0.214SC..Hα-helixtrans-59.8-40.8174.9-74.9170.6-177167.60111.9T135 T136 Q137 R143T135-K139 HydrophobicContact CG2-CD 4.2Å; T135-K139 WeakPolarHBondContact O-CB 3.43Å; T135-K139 VanDerWaalsContact O-CG 3.26Å; T135-K139 WeakPolarHBondContact O-CG 3.44Å; T135-K139 PolarHBondContact O-N 3.5Å; T136-K139 PolarHBondContact O-N 3.01Å; Q137-K139 VanDerWaalsContact C-N 3.34Å; Q137-K139 PolarHBondContact O-N 3.27Å; K139-R143 WeakPolarHBondContact O-CG 3.43Å; K139-R143 PolarHBondContact O-N 3.17Å
140Y95.1Very high93.5Very high10 Ų1051.6 Ų51.64%0.03924%0.241CC..Hα-helixtrans-65.3-43.3177.7-175.2-108.3000112.1H57 I60 L61 T136 Q137 S138 D142 R143 C144 E200 L204H57-Y140 HydrophobicContact CB-CD2 3.33Å; H57-Y140 HydrophobicContact CB-CE2 3.53Å; H57-Y140 HydrophobicContact CB-CG 4.1Å; H57-Y140 AromaticContact CD2-CD2 3.93Å; H57-Y140 AromaticContact CD2-CG 3.79Å; H57-Y140 AromaticContact CE1-CD1 3.54Å; H57-Y140 AromaticContact CE1-CE1 3.87Å; H57-Y140 AromaticContact CE1-CG 3.65Å; H57-Y140 AromaticContact CG-CD2 3.28Å; H57-Y140 AromaticContact CG-CE2 3.61Å; H57-Y140 AromaticContact CG-CG 3.55Å; H57-Y140 AromaticContact ND1-CD1 3.58Å; H57-Y140 AromaticContact ND1-CD2 3.41Å; H57-Y140 WeakPolarHBondContact ND1-CD2 3.26Å; H57-Y140 AromaticContact ND1-CE1 3.64Å; H57-Y140 AromaticContact ND1-CE2 3.4Å; H57-Y140 WeakPolarHBondContact ND1-CE2 3.47Å; H57-Y140 AromaticContact ND1-CG 3.46Å; H57-Y140 AromaticContact ND1-CZ 3.55Å; H57-Y140 AromaticContact NE2-CG 3.86Å; H57-Y140 WeakPolarHBondContact O-CE2 3.45Å; I60-Y140 WeakPolarHBondContact CG2-OH 3.49Å; L61-Y140 HydrophobicContact CD1-CD2 3.7Å; L61-Y140 HydrophobicContact CD1-CE2 3.61Å; L61-Y140 HydrophobicContact CD2-CE2 4.22Å; L61-Y140 HydrophobicContact CG-CD2 4.24Å; L61-Y140 HydrophobicContact CG-CE2 3.62Å; T136-Y140 PolarHBondContact O-N 2.84Å; Q137-Y140 WeakPolarHBondContact O-CB 3.45Å; Q137-Y140 PolarHBondContact O-N 3.01Å; S138-Y140 VanDerWaalsContact C-N 3.3Å; S138-Y140 PolarHBondContact O-N 3.3Å; Y140-D142 VanDerWaalsContact C-N 3.34Å; Y140-D142 PolarHBondContact O-N 3.43Å; Y140-R143 WeakPolarHBondContact O-CB 3.29Å; Y140-R143 PolarHBondContact O-N 3.4Å; Y140-R143 VanDerWaalsContact O-N 3.12Å; Y140-C144 VanDerWaalsContact CE1-SG 3.53Å; Y140-C144 PolarHBondContact O-N 2.91Å; Y140-E200 HydrophobicContact CE1-CB 4.24Å; Y140-E200 VanDerWaalsContact OH-CD 3.31Å; Y140-E200 PolarHBondContact OH-OE2 2.79Å; Y140-L204 HydrophobicContact CD1-CD1 3.59Å; Y140-L204 HydrophobicContact CG-CD1 4.29Å
141R95.1Very high93.5Very high29 Ų2952.8 Ų52.811%0.10925%0.246CC..Hα-helixtrans-55.7-47.9175.9-170.7-91.9-178.4-164.3-3.1111.9Q137 S138 R143 C144 K145 E165 I201 L204Q137-R141 PolarHBondContact O-N 2.7Å; S138-R141 WeakPolarHBondContact O-CB 3.39Å; S138-R141 PolarHBondContact O-N 2.94Å; R141-R143 VanDerWaalsContact C-N 3.3Å; R141-R143 PolarHBondContact O-N 3.41Å; R141-C144 PolarHBondContact O-N 3.49Å; R141-K145 PolarHBondContact O-N 3.07Å; R141-E165 IonicContact CZ-OE1 3.6Å; R141-E165 IonicContact CZ-OE2 2.93Å; R141-E165 VanDerWaalsContact NH1-CD 3.34Å; R141-E165 IonicContact NH1-OE1 2.8Å; R141-E165 PolarHBondContact NH1-OE1 3.24Å; R141-E165 IonicContact NH1-OE2 3.85Å; R141-E165 PolarHBondContact NH1-OE2 3.19Å; R141-E165 VanDerWaalsContact NH2-CD 3.31Å; R141-E165 IonicContact NH2-OE1 3.51Å; R141-E165 PolarHBondContact NH2-OE1 3.36Å; R141-E165 IonicContact NH2-OE2 3.93Å; R141-E165 PolarHBondContact NH2-OE2 2.95Å; R141-I201 HydrophobicContact CG-CG1 4.48Å; R141-I201 HydrophobicContact CG-CG2 4.31Å; R141-L204 HydrophobicContact CB-CD1 4.34Å; R141-L204 HydrophobicContact CB-CD2 3.72Å; R141-L204 HydrophobicContact CG-CD2 3.99Å
142D94.9Very high93.4Very high84 Ų8449.4 Ų49.445%0.44923%0.226SC..Hα-helixtrans-61.4-39.7177.4-67-20.3000111.5S138 Y140 C144 K145 D146S138-D142 PolarHBondContact O-N 3.47Å; Y140-D142 VanDerWaalsContact C-N 3.34Å; Y140-D142 PolarHBondContact O-N 3.43Å; D142-C144 PolarHBondContact O-N 2.84Å; D142-K145 WeakPolarHBondContact O-CB 3.44Å; D142-K145 PolarHBondContact O-N 2.92Å; D142-D146 PolarHBondContact O-N 3.41Å
143R94.9Very high93.3Very high153 Ų15350.9 Ų50.958%0.57723%0.233SC*.Hα-helixtrans-67.9-35.6176.9-65.2-67.2-115.7175.4-1.2113L61 K139 Y140 R141 R147L61-R143 HydrophobicContact CD1-CB 3.69Å; L61-R143 HydrophobicContact CD1-CG 4.34Å; L61-R143 HydrophobicContact CD2-CB 4.31Å; K139-R143 WeakPolarHBondContact O-CG 3.43Å; K139-R143 PolarHBondContact O-N 3.17Å; Y140-R143 WeakPolarHBondContact O-CB 3.29Å; Y140-R143 PolarHBondContact O-N 3.4Å; Y140-R143 VanDerWaalsContact O-N 3.12Å; R141-R143 VanDerWaalsContact C-N 3.3Å; R141-R143 PolarHBondContact O-N 3.41Å; R143-R147 WeakPolarHBondContact O-CG 3.45Å; R143-R147 PolarHBondContact O-N 3.07Å; R143-R147 VanDerWaalsContact O-N 3.16Å
144C94.2Very high93Very high0 Ų054.8 Ų54.80%025%0.253CS..Hα-helixtrans-65.7-42.7172-73.40000111.1Y140 R141 D142 R147 I148 R197 I201Y140-C144 VanDerWaalsContact CE1-SG 3.53Å; Y140-C144 PolarHBondContact O-N 2.91Å; R141-C144 PolarHBondContact O-N 3.49Å; D142-C144 PolarHBondContact O-N 2.84Å; C144-R147 PolarHBondContact O-N 3.47Å; C144-I148 WeakPolarHBondContact O-CG1 3.44Å; C144-I148 PolarHBondContact O-N 3.06Å; C144-R197 HydrophobicContact CB-CB 4.36Å; C144-I201 HydrophobicContact CB-CD1 3.78Å; C144-I201 HydrophobicContact CB-CG1 3.63Å
145K94.4Very high92.8Very high22 Ų2253.7 Ų53.710%0.09625%0.248CC..Hα-helixtrans-57.6-49.7173.9179.5-179.7175.3172.80111.5R141 D142 R147 I148 Q149 N161 L164 E165 L168R141-K145 PolarHBondContact O-N 3.07Å; D142-K145 WeakPolarHBondContact O-CB 3.44Å; D142-K145 PolarHBondContact O-N 2.92Å; K145-R147 PolarHBondContact O-N 3.27Å; K145-I148 PolarHBondContact O-N 2.92Å; K145-I148 VanDerWaalsContact O-N 3.13Å; K145-Q149 PolarHBondContact O-N 3.26Å; K145-N161 PolarHBondContact NZ-O 3.15Å; K145-L164 HydrophobicContact CD-CD2 4.36Å; K145-L164 HydrophobicContact CG-CD2 3.54Å; K145-L164 HydrophobicContact CG-CG 4.04Å; K145-E165 WeakPolarHBondContact CD-OE2 3.41Å; K145-E165 WeakPolarHBondContact CE-OE2 3.28Å; K145-E165 IonicContact NZ-OE2 2.84Å; K145-E165 PolarHBondContact NZ-OE2 3.34Å; K145-L168 HydrophobicContact CB-CD1 4.27Å; K145-L168 HydrophobicContact CD-CD1 4.25Å; K145-L168 HydrophobicContact CG-CD1 4.05Å
146D93.8Very high92.3Very high77 Ų7754.6 Ų54.641%0.41227%0.267SS..Hα-helixtrans-55.7-39.3176.8-71.2-16.8000112.1D142 R150D142-D146 PolarHBondContact O-N 3.41Å; D146-R150 WeakPolarHBondContact O-CB 3.46Å; D146-R150 PolarHBondContact O-N 3.42Å
147R92.8Very high91.9Very high81 Ų8156.8 Ų56.831%0.30627%0.274SS..Hα-helixtrans-68.3-44.5177.1-76.5-164.1173.2-107.9-7.9112.4L61 R143 C144 K145 Q149 R150 Q151 E193 R197L61-R147 HydrophobicContact CD2-CG 4.43Å; L61-R147 PolarHBondContact O-NE 3.35Å; L61-R147 PolarHBondContact O-NH1 3.33Å; L61-R147 PolarHBondContact O-NH2 2.9Å; R143-R147 WeakPolarHBondContact O-CG 3.45Å; R143-R147 PolarHBondContact O-N 3.07Å; R143-R147 VanDerWaalsContact O-N 3.16Å; C144-R147 PolarHBondContact O-N 3.47Å; K145-R147 PolarHBondContact O-N 3.27Å; R147-Q149 VanDerWaalsContact C-N 3.29Å; R147-Q149 PolarHBondContact O-N 3.47Å; R147-R150 PolarHBondContact O-N 2.79Å; R147-Q151 WeakPolarHBondContact O-CG 3.26Å; R147-Q151 PolarHBondContact O-N 3.12Å; R147-E193 IonicContact NH1-OE1 2.88Å; R147-E193 PolarHBondContact NH1-OE1 3.26Å; R147-E193 VanDerWaalsContact NH1-OE1 3.09Å; R147-R197 HydrophobicContact CB-CG 4.25Å
148I92.7Very high91.5Very high0 Ų062.7 Ų62.70%031%0.311CS..Hα-helixtrans-59.1-46176.2-67.7167.9000109.7C144 K145 R150 Q151 L152 L164 L168 F176 I194 R197 H198 I201C144-I148 WeakPolarHBondContact O-CG1 3.44Å; C144-I148 PolarHBondContact O-N 3.06Å; K145-I148 PolarHBondContact O-N 2.92Å; K145-I148 VanDerWaalsContact O-N 3.13Å; I148-R150 VanDerWaalsContact C-N 3.33Å; I148-R150 PolarHBondContact O-N 3.1Å; I148-Q151 PolarHBondContact O-N 3.48Å; I148-Q151 VanDerWaalsContact O-N 3.16Å; I148-L152 HydrophobicContact CG2-CD1 3.98Å; I148-L152 HydrophobicContact CG2-CG 4.41Å; I148-L152 WeakPolarHBondContact O-CG 3.37Å; I148-L152 PolarHBondContact O-N 3.47Å; I148-L164 HydrophobicContact CG2-CD1 3.75Å; I148-L168 HydrophobicContact CD1-CD2 4.05Å; I148-F176 HydrophobicContact CG2-CD1 3.96Å; I148-F176 HydrophobicContact CG2-CE1 3.66Å; I148-I194 HydrophobicContact CG2-CG1 4.34Å; I148-I194 HydrophobicContact CG2-CG2 4.11Å; I148-R197 HydrophobicContact CD1-CB 3.87Å; I148-R197 HydrophobicContact CG1-CB 3.65Å; I148-R197 HydrophobicContact CG1-CG 4.46Å; I148-H198 HydrophobicContact CD1-CB 4.45Å; I148-I201 HydrophobicContact CD1-CD1 3.76Å
149Q93.5Very high91.2Very high34 Ų3460.6 Ų60.616%0.15930%0.296CS..Hα-helixtrans-55.9-48.8176.8-167.8176.3-600111.7K145 R147 Q151 L152 E153 N161 L164K145-Q149 PolarHBondContact O-N 3.26Å; R147-Q149 VanDerWaalsContact C-N 3.29Å; R147-Q149 PolarHBondContact O-N 3.47Å; Q149-Q151 VanDerWaalsContact C-N 3.3Å; Q149-Q151 PolarHBondContact O-N 3.36Å; Q149-L152 WeakPolarHBondContact O-CB 3.28Å; Q149-L152 PolarHBondContact O-N 3.08Å; Q149-E153 WeakPolarHBondContact O-CG 3.35Å; Q149-E153 PolarHBondContact O-N 3.48Å; Q149-N161 PolarHBondContact OE1-OD1 3.36Å; Q149-L164 HydrophobicContact CB-CD2 3.6Å; Q149-L164 HydrophobicContact CG-CD2 4.15Å
150R92.2Very high91Very high170 Ų17058.2 Ų58.264%0.64229%0.292SS*.Hα-helixtrans-62.4-37.2179-169.5175.2-175.2931.8112.5D146 R147 I148 E153 I154D146-R150 WeakPolarHBondContact O-CB 3.46Å; D146-R150 PolarHBondContact O-N 3.42Å; R147-R150 PolarHBondContact O-N 2.79Å; I148-R150 VanDerWaalsContact C-N 3.33Å; I148-R150 PolarHBondContact O-N 3.1Å; R150-E153 PolarHBondContact O-N 2.9Å; R150-I154 WeakPolarHBondContact O-CG1 3.36Å; R150-I154 PolarHBondContact O-N 2.97Å; R150-I154 VanDerWaalsContact O-N 3.14Å
151Q90.9Very high90.8Very high25 Ų2562.1 Ų62.112%0.11731%0.313CS..Hα-helixtrans-70.6-36176.9-67.3-55.4-25.500112.2R147 I148 Q149 I154 T155 A190 E193 I194R147-Q151 WeakPolarHBondContact O-CG 3.26Å; R147-Q151 PolarHBondContact O-N 3.12Å; I148-Q151 PolarHBondContact O-N 3.48Å; I148-Q151 VanDerWaalsContact O-N 3.16Å; Q149-Q151 VanDerWaalsContact C-N 3.3Å; Q149-Q151 PolarHBondContact O-N 3.36Å; Q151-I154 PolarHBondContact O-N 2.9Å; Q151-T155 PolarHBondContact O-N 2.86Å; Q151-A190 HydrophobicContact CB-CB 4.27Å; Q151-E193 HydrophobicContact CG-CB 4.21Å; Q151-E193 HydrophobicContact CG-CG 4.19Å; Q151-E193 PolarHBondContact NE2-OE2 3.28Å; Q151-I194 HydrophobicContact CB-CD1 3.76Å; Q151-I194 HydrophobicContact CB-CG1 3.53Å; Q151-I194 HydrophobicContact CG-CG1 4.33Å
152L90.2Very high90.6Very high0 Ų068 Ų680%034%0.342CS..Hα-helixtrans-61.8-43.6172.3-69.9166.9000111.4I148 Q149 I154 T155 G156 R157 L164 M167 F176 I180 I194I148-L152 HydrophobicContact CG2-CD1 3.98Å; I148-L152 HydrophobicContact CG2-CG 4.41Å; I148-L152 WeakPolarHBondContact O-CG 3.37Å; I148-L152 PolarHBondContact O-N 3.47Å; Q149-L152 WeakPolarHBondContact O-CB 3.28Å; Q149-L152 PolarHBondContact O-N 3.08Å; L152-I154 VanDerWaalsContact C-N 3.32Å; L152-I154 PolarHBondContact O-N 3.43Å; L152-T155 CarbonylContact O-C 3.22Å; L152-T155 PolarHBondContact O-N 3.3Å; L152-T155 VanDerWaalsContact O-N 3.13Å; L152-T155 PolarHBondContact O-OG1 3.47Å; L152-G156 PolarHBondContact O-N 2.95Å; L152-R157 CarbonylContact C-O 3.49Å; L152-R157 VanDerWaalsContact C-O 3.22Å; L152-R157 PolarHBondContact O-N 3.21Å; L152-L164 HydrophobicContact CD1-CD1 3.97Å; L152-M167 HydrophobicContact CD1-CE 4.34Å; L152-F176 HydrophobicContact CD1-CD1 4.32Å; L152-F176 HydrophobicContact CD2-CD1 4.4Å; L152-I180 HydrophobicContact CD2-CD1 4.19Å; L152-I194 HydrophobicContact CD2-CD1 3.98Å; L152-I194 HydrophobicContact CG-CD1 4.12Å
153E90.4Very high90.3Very high101 Ų10168.7 Ų68.747%0.47234%0.343SS..Hα-helixtrans-60.5-38.9175.6-71175.3-178.900112.6Q149 R150 T155 G156 R157Q149-E153 WeakPolarHBondContact O-CG 3.35Å; Q149-E153 PolarHBondContact O-N 3.48Å; R150-E153 PolarHBondContact O-N 2.9Å; E153-T155 VanDerWaalsContact C-N 3.29Å; E153-T155 PolarHBondContact O-N 3.4Å; E153-G156 PolarHBondContact O-N 3.3Å; E153-R157 PolarHBondContact N-O 2.98Å
154I88.3Confident90.2Very high84 Ų8461.4 Ų61.443%0.43132%0.315SS..Hα-helixtrans-62-38.3176.1-71.4164.3000111.2R150 Q151 L152 G156 I186R150-I154 WeakPolarHBondContact O-CG1 3.36Å; R150-I154 PolarHBondContact O-N 2.97Å; R150-I154 VanDerWaalsContact O-N 3.14Å; Q151-I154 PolarHBondContact O-N 2.9Å; L152-I154 VanDerWaalsContact C-N 3.32Å; L152-I154 PolarHBondContact O-N 3.43Å; I154-G156 PolarHBondContact O-N 3.43Å; I154-I186 HydrophobicContact CG2-CG2 3.67Å
155T86.4Confident90Very high26 Ų2663.8 Ų63.816%0.1633%0.326CS..THydrogen-bonded Turntrans-77.52.2175.764.40000113.8Q151 L152 E153 I180 D187 A190Q151-T155 PolarHBondContact O-N 2.86Å; L152-T155 CarbonylContact O-C 3.22Å; L152-T155 PolarHBondContact O-N 3.3Å; L152-T155 VanDerWaalsContact O-N 3.13Å; L152-T155 PolarHBondContact O-OG1 3.47Å; E153-T155 VanDerWaalsContact C-N 3.29Å; E153-T155 PolarHBondContact O-N 3.4Å; T155-I180 HydrophobicContact CG2-CD1 4.01Å; T155-I180 HydrophobicContact CG2-CG2 3.99Å; T155-I180 WeakPolarHBondContact OG1-CD1 3.49Å; T155-D187 HydrophobicContact CG2-CB 4.5Å; T155-A190 HydrophobicContact CG2-CB 3.57Å
156G83.9Confident89.8Confident67 Ų6767.2 Ų67.269%0.69135%0.346SS*.THydrogen-bonded Turntrans8311.6178.300000114.5L152 E153 I154L152-G156 PolarHBondContact O-N 2.95Å; E153-G156 PolarHBondContact O-N 3.3Å; I154-G156 PolarHBondContact O-N 3.43Å
157R84.2Confident89.6Confident54 Ų5464.1 Ų64.120%0.20433%0.329CS..  trans-99.1104.2175.1-176.8173171.5177.52.2109.7L152 E153 M167 I175 D179L152-R157 CarbonylContact C-O 3.49Å; L152-R157 VanDerWaalsContact C-O 3.22Å; L152-R157 PolarHBondContact O-N 3.21Å; E153-R157 PolarHBondContact N-O 2.98Å; R157-M167 PolarHBondContact NH2-SD 3.06Å; R157-M167 VanDerWaalsContact NH2-SD 3.45Å; R157-I175 PolarHBondContact NH1-O 2.8Å; R157-D179 IonicContact CZ-OD2 3.09Å; R157-D179 IonicContact NH1-OD2 3.98Å; R157-D179 IonicContact NH2-OD2 2.63Å
158T85.2Confident89.5Confident128 Ų12860.6 Ų60.679%0.78532%0.316SS*.  trans-73.1127169.2-48.70000108.7
159T87.4Confident89.2Confident6 Ų667.6 Ų67.64%0.03735%0.349CS..  trans-133.4130.2179.1-53.80000108.5E163 L164 M167T159-E163 HydrophobicContact CG2-CB 3.7Å; T159-L164 HydrophobicContact CG2-CB 3.97Å; T159-M167 HydrophobicContact CG2-SD 3.93Å
160T91.2Very high88.7Confident72 Ų7268.3 Ų68.344%0.44236%0.357SS..  trans-73.2162.4175.763.30000110.8E162 E163 L164T160-E162 PolarHBondContact O-N 2.71Å; T160-E163 WeakPolarHBondContact CB-OE2 3.47Å; T160-E163 PolarHBondContact N-OE2 3.24Å; T160-E163 PolarHBondContact O-N 2.94Å; T160-E163 WeakPolarHBondContact OG1-CB 3.27Å; T160-E163 WeakPolarHBondContact OG1-CG 3.42Å; T160-E163 PolarHBondContact OG1-N 3.38Å; T160-E163 PolarHBondContact OG1-OE2 3.45Å; T160-L164 WeakPolarHBondContact O-CB 3.47Å; T160-L164 PolarHBondContact O-N 3.17Å
161N89.9Confident88.1Confident92 Ų9262.2 Ų62.249%0.49235%0.347SS..Hα-helixtrans-61.3-31.6178.1-91.3-40.9000113.6K145 Q149 E165K145-N161 PolarHBondContact NZ-O 3.15Å; Q149-N161 PolarHBondContact OE1-OD1 3.36Å; N161-E165 PolarHBondContact O-N 2.81Å
162E90.8Very high87.7Confident151 Ų15167.7 Ų67.771%0.70637%0.371SS*.Hα-helixtrans-75.6-49.4179.3-170.5171-167.800110.3T160 L164 E165 D166T160-E162 PolarHBondContact O-N 2.71Å; E162-L164 VanDerWaalsContact C-N 3.27Å; E162-L164 PolarHBondContact O-N 3.21Å; E162-E165 WeakPolarHBondContact O-CA 3.46Å; E162-E165 VanDerWaalsContact O-CB 3.31Å; E162-E165 WeakPolarHBondContact O-CB 3.35Å; E162-E165 PolarHBondContact O-N 2.78Å; E162-D166 PolarHBondContact O-N 3.2Å
163E89.9Confident87.3Confident100 Ų10070.2 Ų70.247%0.46738%0.384SS..Hα-helixtrans-57.5-40.8174.3-70.7164.5155.700112T159 T160 E165 D166 M167T159-E163 HydrophobicContact CG2-CB 3.7Å; T160-E163 WeakPolarHBondContact CB-OE2 3.47Å; T160-E163 PolarHBondContact N-OE2 3.24Å; T160-E163 PolarHBondContact O-N 2.94Å; T160-E163 WeakPolarHBondContact OG1-CB 3.27Å; T160-E163 WeakPolarHBondContact OG1-CG 3.42Å; T160-E163 PolarHBondContact OG1-N 3.38Å; T160-E163 PolarHBondContact OG1-OE2 3.45Å; E163-E165 VanDerWaalsContact C-N 3.29Å; E163-E165 PolarHBondContact O-N 3.18Å; E163-D166 PolarHBondContact O-N 2.88Å; E163-M167 WeakPolarHBondContact O-CG 3.44Å; E163-M167 PolarHBondContact O-N 2.94Å
164L91.1Very high86.9Confident0 Ų067.7 Ų67.70%038%0.38CS..Hα-helixtrans-65.8-34.1177.2-179.757.5000112K145 I148 Q149 L152 T159 T160 E162 M167 L168 F176K145-L164 HydrophobicContact CD-CD2 4.36Å; K145-L164 HydrophobicContact CG-CD2 3.54Å; K145-L164 HydrophobicContact CG-CG 4.04Å; I148-L164 HydrophobicContact CG2-CD1 3.75Å; Q149-L164 HydrophobicContact CB-CD2 3.6Å; Q149-L164 HydrophobicContact CG-CD2 4.15Å; L152-L164 HydrophobicContact CD1-CD1 3.97Å; T159-L164 HydrophobicContact CG2-CB 3.97Å; T160-L164 WeakPolarHBondContact O-CB 3.47Å; T160-L164 PolarHBondContact O-N 3.17Å; E162-L164 VanDerWaalsContact C-N 3.27Å; E162-L164 PolarHBondContact O-N 3.21Å; L164-M167 PolarHBondContact O-N 2.88Å; L164-L168 HydrophobicContact CG-CD1 4.48Å; L164-L168 VanDerWaalsContact O-CG 3.3Å; L164-L168 WeakPolarHBondContact O-CG 3.46Å; L164-L168 PolarHBondContact O-N 3.23Å; L164-L168 VanDerWaalsContact O-N 3.09Å; L164-F176 HydrophobicContact CD1-CE1 3.85Å
165E91.7Very high86.5Confident49 Ų4966.2 Ų66.223%0.22937%0.373CS..Hα-helixtrans-65.9-47.8175.2-161.367.5-159.500110.6R141 K145 N161 E162 E163 M167 L168 E169R141-E165 IonicContact CZ-OE1 3.6Å; R141-E165 IonicContact CZ-OE2 2.93Å; R141-E165 VanDerWaalsContact NH1-CD 3.34Å; R141-E165 IonicContact NH1-OE1 2.8Å; R141-E165 PolarHBondContact NH1-OE1 3.24Å; R141-E165 IonicContact NH1-OE2 3.85Å; R141-E165 PolarHBondContact NH1-OE2 3.19Å; R141-E165 VanDerWaalsContact NH2-CD 3.31Å; R141-E165 IonicContact NH2-OE1 3.51Å; R141-E165 PolarHBondContact NH2-OE1 3.36Å; R141-E165 IonicContact NH2-OE2 3.93Å; R141-E165 PolarHBondContact NH2-OE2 2.95Å; K145-E165 WeakPolarHBondContact CD-OE2 3.41Å; K145-E165 WeakPolarHBondContact CE-OE2 3.28Å; K145-E165 IonicContact NZ-OE2 2.84Å; K145-E165 PolarHBondContact NZ-OE2 3.34Å; N161-E165 PolarHBondContact O-N 2.81Å; E162-E165 WeakPolarHBondContact O-CA 3.46Å; E162-E165 VanDerWaalsContact O-CB 3.31Å; E162-E165 WeakPolarHBondContact O-CB 3.35Å; E162-E165 PolarHBondContact O-N 2.78Å; E163-E165 VanDerWaalsContact C-N 3.29Å; E163-E165 PolarHBondContact O-N 3.18Å; E165-M167 PolarHBondContact O-N 3.5Å; E165-L168 WeakPolarHBondContact O-CA 3.34Å; E165-L168 WeakPolarHBondContact O-CB 3.47Å; E165-L168 PolarHBondContact O-N 3.09Å; E165-E169 WeakPolarHBondContact O-CG 3.39Å; E165-E169 PolarHBondContact O-N 3.49Å
166D90.1Very high86.2Confident95 Ų9565 Ų6551%0.50837%0.365SS..Hα-helixtrans-57.6-39.3176.2-67.1-17.4000111.8E162 E163 E169 S170E162-D166 PolarHBondContact O-N 3.2Å; E163-D166 PolarHBondContact O-N 2.88Å; D166-E169 PolarHBondContact O-N 3.41Å; D166-S170 PolarHBondContact O-N 3.19Å; D166-S170 VanDerWaalsContact O-N 3.12Å
167M89Confident85.9Confident12 Ų1264.3 Ų64.36%0.05935%0.348CS..Hα-helixtrans-63.1-41.1175.2-69.6172.962.200111.8L152 R157 T159 E163 L164 E165 S170 I175 F176L152-M167 HydrophobicContact CD1-CE 4.34Å; R157-M167 PolarHBondContact NH2-SD 3.06Å; R157-M167 VanDerWaalsContact NH2-SD 3.45Å; T159-M167 HydrophobicContact CG2-SD 3.93Å; E163-M167 WeakPolarHBondContact O-CG 3.44Å; E163-M167 PolarHBondContact O-N 2.94Å; L164-M167 PolarHBondContact O-N 2.88Å; E165-M167 PolarHBondContact O-N 3.5Å; M167-S170 PolarHBondContact O-OG 3.14Å; M167-I175 HydrophobicContact CB-CG2 4.13Å; M167-I175 HydrophobicContact CE-CG2 3.89Å; M167-I175 HydrophobicContact CG-CG2 3.59Å; M167-I175 HydrophobicContact SD-CG2 4.33Å; M167-F176 HydrophobicContact CB-CE1 4.07Å; M167-F176 HydrophobicContact CB-CZ 3.86Å; M167-F176 HydrophobicContact CE-CD1 3.3Å; M167-F176 HydrophobicContact CE-CE1 3.44Å; M167-F176 VanDerWaalsContact CE-CE1 3.44Å; M167-F176 HydrophobicContact CE-CG 3.95Å; M167-F176 HydrophobicContact CE-CZ 4.19Å
168L89.7Confident85.5Confident7 Ų767.4 Ų67.44%0.03737%0.368CS..Hα-helixtrans-69.2-43.9176.8-69.2170.1000111.6K145 I148 L164 E165 S170 G171 F176 I201K145-L168 HydrophobicContact CB-CD1 4.27Å; K145-L168 HydrophobicContact CD-CD1 4.25Å; K145-L168 HydrophobicContact CG-CD1 4.05Å; I148-L168 HydrophobicContact CD1-CD2 4.05Å; L164-L168 HydrophobicContact CG-CD1 4.48Å; L164-L168 VanDerWaalsContact O-CG 3.3Å; L164-L168 WeakPolarHBondContact O-CG 3.46Å; L164-L168 PolarHBondContact O-N 3.23Å; L164-L168 VanDerWaalsContact O-N 3.09Å; E165-L168 WeakPolarHBondContact O-CA 3.34Å; E165-L168 WeakPolarHBondContact O-CB 3.47Å; E165-L168 PolarHBondContact O-N 3.09Å; L168-S170 PolarHBondContact O-N 3.23Å; L168-G171 PolarHBondContact O-N 3.39Å; L168-F176 HydrophobicContact CD2-CZ 3.93Å; L168-F176 HydrophobicContact CG-CZ 4.4Å; L168-I201 HydrophobicContact CD1-CD1 4.16Å; L168-I201 HydrophobicContact CD2-CD1 3.72Å
169E87Confident84.8Confident147 Ų14767 Ų6769%0.68736%0.361SS*.Hα-helixtrans-61-31.7178.9-73.2-172.5179.700112.8E165 D166 G171E165-E169 WeakPolarHBondContact O-CG 3.39Å; E165-E169 PolarHBondContact O-N 3.49Å; D166-E169 PolarHBondContact O-N 3.41Å; E169-G171 PolarHBondContact O-N 3.47Å
170S84.3Confident84.2Confident48 Ų4867.3 Ų67.334%0.33636%0.363SS..THydrogen-bonded Turntrans-62-24.9176.3820000113.6D166 M167 L168 K172 I175D166-S170 PolarHBondContact O-N 3.19Å; D166-S170 VanDerWaalsContact O-N 3.12Å; M167-S170 PolarHBondContact O-OG 3.14Å; L168-S170 PolarHBondContact O-N 3.23Å; S170-K172 PolarHBondContact O-N 2.95Å; S170-K172 VanDerWaalsContact O-N 3.12Å; S170-K172 PolarHBondContact OG-N 3.01Å; S170-I175 VanDerWaalsContact OG-CD1 3.23Å; S170-I175 WeakPolarHBondContact OG-CD1 3.49Å
171G77.9Confident83.4Confident42 Ų4271.6 Ų71.643%0.43338%0.375SS..  trans63.75.9-175.300000115.6L168 E169L168-G171 PolarHBondContact O-N 3.39Å; E169-G171 PolarHBondContact O-N 3.47Å
172K82.4Confident82.6Confident140 Ų14072.7 Ų72.761%0.60938%0.379SS*.  trans-99.3114.2-175.5-65.3176.2-170.6171.80111.1S170 A174 I175S170-K172 PolarHBondContact O-N 2.95Å; S170-K172 VanDerWaalsContact O-N 3.12Å; S170-K172 PolarHBondContact OG-N 3.01Å; K172-A174 PolarHBondContact O-N 3.41Å; K172-I175 HydrophobicContact CB-CD1 3.97Å; K172-I175 HydrophobicContact CB-CG1 4.24Å; K172-I175 HydrophobicContact CD-CD1 4.36Å; K172-I175 PolarHBondContact O-N 3.38Å
173L81.7Confident82Confident54 Ų5472.2 Ų72.228%0.28338%0.381SS..THydrogen-bonded Turntrans-57.3-33.2175.7-176.264.7000113.1I175 F176 E195 H198L173-I175 PolarHBondContact O-N 2.92Å; L173-I175 VanDerWaalsContact O-N 3.11Å; L173-F176 HydrophobicContact CD1-CD2 4.34Å; L173-F176 WeakPolarHBondContact O-CB 3.5Å; L173-F176 PolarHBondContact O-N 2.84Å; L173-E195 HydrophobicContact CD1-CB 4.02Å; L173-E195 HydrophobicContact CD1-CG 4.22Å; L173-E195 HydrophobicContact CD2-CB 4.22Å; L173-E195 HydrophobicContact CD2-CG 3.68Å; L173-H198 HydrophobicContact CD1-CB 4.46Å
174A82.1Confident81.7Confident47 Ų4769.5 Ų69.539%0.38837%0.373SS..Hα-helixtrans-55.9-31.3-17800000113.5K172 F176 T177 D178K172-A174 PolarHBondContact O-N 3.41Å; A174-F176 PolarHBondContact O-N 2.73Å; A174-T177 WeakPolarHBondContact CA-OG1 3.43Å; A174-T177 PolarHBondContact O-N 2.91Å; A174-T177 PolarHBondContact O-OG1 2.93Å; A174-D178 PolarHBondContact O-N 3.38Å
175I81.4Confident81.4Confident53 Ų5377.4 Ų77.427%0.27241%0.41SS..Hα-helixtrans-65.6-24-178.4-67.6170.9000111.8R157 M167 S170 K172 L173R157-I175 PolarHBondContact NH1-O 2.8Å; M167-I175 HydrophobicContact CB-CG2 4.13Å; M167-I175 HydrophobicContact CE-CG2 3.89Å; M167-I175 HydrophobicContact CG-CG2 3.59Å; M167-I175 HydrophobicContact SD-CG2 4.33Å; S170-I175 VanDerWaalsContact OG-CD1 3.23Å; S170-I175 WeakPolarHBondContact OG-CD1 3.49Å; K172-I175 HydrophobicContact CB-CD1 3.97Å; K172-I175 HydrophobicContact CB-CG1 4.24Å; K172-I175 HydrophobicContact CD-CD1 4.36Å; K172-I175 PolarHBondContact O-N 3.38Å; L173-I175 PolarHBondContact O-N 2.92Å; L173-I175 VanDerWaalsContact O-N 3.11Å
176F80.1Confident81.1Confident0 Ų080 Ų800%042%0.424CS..Hα-helixtrans-80.4-28.3172.8-60.2-82.7000112.4I148 L152 L164 M167 L168 L173 A174 I180 I194 H198I148-F176 HydrophobicContact CG2-CD1 3.96Å; I148-F176 HydrophobicContact CG2-CE1 3.66Å; L152-F176 HydrophobicContact CD1-CD1 4.32Å; L152-F176 HydrophobicContact CD2-CD1 4.4Å; L164-F176 HydrophobicContact CD1-CE1 3.85Å; M167-F176 HydrophobicContact CB-CE1 4.07Å; M167-F176 HydrophobicContact CB-CZ 3.86Å; M167-F176 HydrophobicContact CE-CD1 3.3Å; M167-F176 HydrophobicContact CE-CE1 3.44Å; M167-F176 VanDerWaalsContact CE-CE1 3.44Å; M167-F176 HydrophobicContact CE-CG 3.95Å; M167-F176 HydrophobicContact CE-CZ 4.19Å; L168-F176 HydrophobicContact CD2-CZ 3.93Å; L168-F176 HydrophobicContact CG-CZ 4.4Å; L173-F176 HydrophobicContact CD1-CD2 4.34Å; L173-F176 WeakPolarHBondContact O-CB 3.5Å; L173-F176 PolarHBondContact O-N 2.84Å; A174-F176 PolarHBondContact O-N 2.73Å; F176-I180 WeakPolarHBondContact O-CD1 3.37Å; F176-I194 HydrophobicContact CB-CG2 3.79Å; F176-I194 HydrophobicContact CD1-CG2 3.82Å; F176-I194 HydrophobicContact CD2-CG2 4.46Å; F176-I194 HydrophobicContact CG-CG2 3.76Å; F176-H198 AromaticContact CE2-CD2 3.67Å
177T77.4Confident80.8Confident54 Ų5476.6 Ų76.633%0.33141%0.406SS..Hα-helixtrans-95.5-25.8-172.454.10000114.8A174 D179 I180 L191A174-T177 WeakPolarHBondContact CA-OG1 3.43Å; A174-T177 PolarHBondContact O-N 2.91Å; A174-T177 PolarHBondContact O-OG1 2.93Å; T177-D179 VanDerWaalsContact C-N 3.3Å; T177-D179 PolarHBondContact O-N 3.46Å; T177-I180 PolarHBondContact O-N 3.04Å; T177-L191 HydrophobicContact CG2-CD2 3.65Å
178D75.7Confident80.7Confident119 Ų11981.8 Ų81.864%0.63643%0.428SS*.THydrogen-bonded Turntrans-62-31.9-167.2-75.4-13.8000114.3A174A174-D178 PolarHBondContact O-N 3.38Å
179D70.6Confident80.6Confident118 Ų11886.3 Ų86.363%0.63145%0.449SS*.THydrogen-bonded Turntrans-98.5-4.5-177.5-67.7-39.5000114R157 T177R157-D179 IonicContact CZ-OD2 3.09Å; R157-D179 IonicContact NH1-OD2 3.98Å; R157-D179 IonicContact NH2-OD2 2.63Å; T177-D179 VanDerWaalsContact C-N 3.3Å; T177-D179 PolarHBondContact O-N 3.46Å
180I75.1Confident80.7Confident14 Ų1479.4 Ų79.47%0.07242%0.417CS..  trans-94.3114.2-174.4-62.7175.1000109.6L152 T155 F176 T177 M182 D187 L191L152-I180 HydrophobicContact CD2-CD1 4.19Å; T155-I180 HydrophobicContact CG2-CD1 4.01Å; T155-I180 HydrophobicContact CG2-CG2 3.99Å; T155-I180 WeakPolarHBondContact OG1-CD1 3.49Å; F176-I180 WeakPolarHBondContact O-CD1 3.37Å; T177-I180 PolarHBondContact O-N 3.04Å; I180-M182 PolarHBondContact O-N 2.98Å; I180-D187 HydrophobicContact CG2-CB 4.17Å; I180-L191 HydrophobicContact CB-CD1 4.45Å; I180-L191 HydrophobicContact CD1-CD2 3.58Å; I180-L191 HydrophobicContact CD1-CG 4.24Å; I180-L191 HydrophobicContact CG2-CD1 4.03Å; I180-L191 HydrophobicContact CG2-CG 4.27Å
181K73.6Confident80.8Confident162 Ų16277.7 Ų77.770%0.70440%0.404SS*.  trans-69.4114.1171.9-63.6-175.8-178.7-179.80109D183 D187K181-D183 PolarHBondContact O-N 3.22Å; K181-D187 VanDerWaalsContact O-OD2 3.09Å
182M73.3Confident81.3Confident114 Ų11478.9 Ų78.956%0.56240%0.401SS*.THydrogen-bonded Turntrans-76.245179.8-67.6-175.9116.300113.2I180 L191I180-M182 PolarHBondContact O-N 2.98Å; M182-L191 HydrophobicContact CE-CD1 3.61Å; M182-L191 HydrophobicContact CG-CD1 3.88Å; M182-L191 HydrophobicContact SD-CD1 4.43Å
183D77.6Confident81.7Confident141 Ų14172.5 Ų72.575%0.75437%0.373SS*.THydrogen-bonded Turntrans-87.9-30-172-68-22.4000111.7K181K181-D183 PolarHBondContact O-N 3.22Å
184S83.7Confident82.1Confident43 Ų4370 Ų7030%0.30136%0.36SS..SBendtrans-101.8152.3178.7-174.60000113.3I186 D187 K188S184-I186 PolarHBondContact O-N 3.01Å; S184-I186 WeakPolarHBondContact OG-CB 3.1Å; S184-I186 PolarHBondContact OG-N 3.36Å; S184-I186 VanDerWaalsContact OG-N 3.1Å; S184-D187 WeakPolarHBondContact CB-OD2 3.41Å; S184-D187 PolarHBondContact N-OD2 3.18Å; S184-D187 PolarHBondContact O-N 2.96Å; S184-K188 PolarHBondContact O-N 2.87Å
185Q84.6Confident82.5Confident167 Ų16772 Ų7278%0.7836%0.361SS*.Hα-helixtrans-61.8-28.7165.9-173.3172.4-3.200111.6Q189Q185-Q189 PolarHBondContact O-N 2.96Å; Q185-Q189 VanDerWaalsContact O-N 3.17Å
186I85.3Confident82.9Confident102 Ų10270.4 Ų70.452%0.52335%0.354SS..Hα-helixtrans-66.2-43.9176.2-61.2172.4000110.2I154 S184 K188 Q189 A190I154-I186 HydrophobicContact CG2-CG2 3.67Å; S184-I186 PolarHBondContact O-N 3.01Å; S184-I186 WeakPolarHBondContact OG-CB 3.1Å; S184-I186 PolarHBondContact OG-N 3.36Å; S184-I186 VanDerWaalsContact OG-N 3.1Å; I186-K188 VanDerWaalsContact C-N 3.32Å; I186-K188 PolarHBondContact O-N 3.29Å; I186-Q189 PolarHBondContact O-N 3.45Å; I186-A190 PolarHBondContact O-N 3.37Å
187D85.6Confident83.5Confident25 Ų2570.4 Ų70.413%0.13435%0.354CS..Hα-helixtrans-64-39.8-179.7-53.8-33000111.3T155 I180 K181 S184 Q189 A190 L191T155-D187 HydrophobicContact CG2-CB 4.5Å; I180-D187 HydrophobicContact CG2-CB 4.17Å; K181-D187 VanDerWaalsContact O-OD2 3.09Å; S184-D187 WeakPolarHBondContact CB-OD2 3.41Å; S184-D187 PolarHBondContact N-OD2 3.18Å; S184-D187 PolarHBondContact O-N 2.96Å; D187-Q189 VanDerWaalsContact C-N 3.34Å; D187-Q189 PolarHBondContact O-N 2.96Å; D187-A190 PolarHBondContact O-N 3.46Å; D187-L191 WeakPolarHBondContact O-CB 3.27Å; D187-L191 WeakPolarHBondContact O-CG 3.44Å; D187-L191 PolarHBondContact O-N 2.95Å
188K85.8Confident84.2Confident120 Ų12068.2 Ų68.252%0.52234%0.34SS..Hα-helixtrans-63.4-39.5175.6-68.2178.6-178.7177.50112.3S184 I186 N192S184-K188 PolarHBondContact O-N 2.87Å; I186-K188 VanDerWaalsContact C-N 3.32Å; I186-K188 PolarHBondContact O-N 3.29Å; K188-N192 PolarHBondContact O-N 3.34Å; K188-N192 VanDerWaalsContact O-N 3.13Å
189Q87.6Confident84.9Confident103 Ų10365.4 Ų65.448%0.48133%0.327SS..Hα-helixtrans-69.8-42.6177.4-175.4177.2-15.400111.5Q185 I186 D187 L191 N192 E193Q185-Q189 PolarHBondContact O-N 2.96Å; Q185-Q189 VanDerWaalsContact O-N 3.17Å; I186-Q189 PolarHBondContact O-N 3.45Å; D187-Q189 VanDerWaalsContact C-N 3.34Å; D187-Q189 PolarHBondContact O-N 2.96Å; Q189-L191 VanDerWaalsContact C-N 3.34Å; Q189-L191 PolarHBondContact O-N 2.72Å; Q189-N192 PolarHBondContact O-N 2.9Å; Q189-E193 PolarHBondContact O-N 2.9Å
190A88.3Confident85.9Confident1 Ų160.7 Ų60.71%0.00830%0.301CS..Hα-helixtrans-59.8-45.2176.400000111.4Q151 T155 I186 D187 N192 E193 I194Q151-A190 HydrophobicContact CB-CB 4.27Å; T155-A190 HydrophobicContact CG2-CB 3.57Å; I186-A190 PolarHBondContact O-N 3.37Å; D187-A190 PolarHBondContact O-N 3.46Å; A190-N192 PolarHBondContact O-N 3.38Å; A190-E193 PolarHBondContact O-N 2.71Å; A190-I194 VanDerWaalsContact O-CG1 3.27Å; A190-I194 WeakPolarHBondContact O-CG1 3.33Å; A190-I194 PolarHBondContact O-N 3.35Å
191L87.7Confident86.8Confident13 Ų1360.1 Ų60.17%0.06830%0.298CS..Hα-helixtrans-60.9-41.6175.8-79.6176.1000113.2T177 I180 M182 D187 Q189 I194 E195T177-L191 HydrophobicContact CG2-CD2 3.65Å; I180-L191 HydrophobicContact CB-CD1 4.45Å; I180-L191 HydrophobicContact CD1-CD2 3.58Å; I180-L191 HydrophobicContact CD1-CG 4.24Å; I180-L191 HydrophobicContact CG2-CD1 4.03Å; I180-L191 HydrophobicContact CG2-CG 4.27Å; M182-L191 HydrophobicContact CE-CD1 3.61Å; M182-L191 HydrophobicContact CG-CD1 3.88Å; M182-L191 HydrophobicContact SD-CD1 4.43Å; D187-L191 WeakPolarHBondContact O-CB 3.27Å; D187-L191 WeakPolarHBondContact O-CG 3.44Å; D187-L191 PolarHBondContact O-N 2.95Å; Q189-L191 VanDerWaalsContact C-N 3.34Å; Q189-L191 PolarHBondContact O-N 2.72Å; L191-I194 PolarHBondContact O-N 3.33Å; L191-E195 WeakPolarHBondContact O-CB 3.16Å; L191-E195 PolarHBondContact O-N 3.49Å
192N88.6Confident87.6Confident66 Ų6655.3 Ų55.335%0.35328%0.28SS..Hα-helixtrans-65.9-37.9177.9-176.1-115.5000112.5N65 K188 Q189 A190 T196N65-N192 PolarHBondContact OD1-OD1 2.85Å; N65-N192 VanDerWaalsContact OD1-OD1 3.11Å; K188-N192 PolarHBondContact O-N 3.34Å; K188-N192 VanDerWaalsContact O-N 3.13Å; Q189-N192 PolarHBondContact O-N 2.9Å; A190-N192 PolarHBondContact O-N 3.38Å; N192-T196 WeakPolarHBondContact O-CB 3.41Å; N192-T196 PolarHBondContact O-N 2.8Å; N192-T196 PolarHBondContact O-OG1 3.32Å
193E89.9Confident88.4Confident7 Ų754.3 Ų54.33%0.03327%0.272CS..Hα-helixtrans-67.6-42.5173.3-173.5169.7178.500110.8R147 Q151 Q189 A190 E195 T196 R197R147-E193 IonicContact NH1-OE1 2.88Å; R147-E193 PolarHBondContact NH1-OE1 3.26Å; R147-E193 VanDerWaalsContact NH1-OE1 3.09Å; Q151-E193 HydrophobicContact CG-CB 4.21Å; Q151-E193 HydrophobicContact CG-CG 4.19Å; Q151-E193 PolarHBondContact NE2-OE2 3.28Å; Q189-E193 PolarHBondContact O-N 2.9Å; A190-E193 PolarHBondContact O-N 2.71Å; E193-E195 PolarHBondContact O-N 3.12Å; E193-T196 PolarHBondContact O-N 3.08Å; E193-R197 HydrophobicContact CG-CG 4.29Å; E193-R197 VanDerWaalsContact O-CG 3.31Å; E193-R197 WeakPolarHBondContact O-CG 3.44Å; E193-R197 PolarHBondContact O-N 2.96Å
194I91.1Very high89.1Confident1 Ų147.9 Ų47.91%0.00524%0.238CC..Hα-helixtrans-57.3-49.2175.7-69.9165000111I148 Q151 L152 F176 A190 L191 T196 R197 H198I148-I194 HydrophobicContact CG2-CG1 4.34Å; I148-I194 HydrophobicContact CG2-CG2 4.11Å; Q151-I194 HydrophobicContact CB-CD1 3.76Å; Q151-I194 HydrophobicContact CB-CG1 3.53Å; Q151-I194 HydrophobicContact CG-CG1 4.33Å; L152-I194 HydrophobicContact CD2-CD1 3.98Å; L152-I194 HydrophobicContact CG-CD1 4.12Å; F176-I194 HydrophobicContact CB-CG2 3.79Å; F176-I194 HydrophobicContact CD1-CG2 3.82Å; F176-I194 HydrophobicContact CD2-CG2 4.46Å; F176-I194 HydrophobicContact CG-CG2 3.76Å; A190-I194 VanDerWaalsContact O-CG1 3.27Å; A190-I194 WeakPolarHBondContact O-CG1 3.33Å; A190-I194 PolarHBondContact O-N 3.35Å; L191-I194 PolarHBondContact O-N 3.33Å; I194-T196 VanDerWaalsContact C-N 3.31Å; I194-T196 PolarHBondContact O-N 3.09Å; I194-R197 PolarHBondContact O-N 3.08Å; I194-H198 VanDerWaalsContact O-CB 3.26Å; I194-H198 WeakPolarHBondContact O-CB 3.27Å; I194-H198 PolarHBondContact O-N 3.11Å
195E89.7Confident89.3Confident90 Ų9048.7 Ų48.742%0.42124%0.237SC..Hα-helixtrans-59.1-42.9178.2177.5175.8-161.200112L173 L191 E193 T199L173-E195 HydrophobicContact CD1-CB 4.02Å; L173-E195 HydrophobicContact CD1-CG 4.22Å; L173-E195 HydrophobicContact CD2-CB 4.22Å; L173-E195 HydrophobicContact CD2-CG 3.68Å; L191-E195 WeakPolarHBondContact O-CB 3.16Å; L191-E195 PolarHBondContact O-N 3.49Å; E193-E195 PolarHBondContact O-N 3.12Å; E195-T199 WeakPolarHBondContact O-CB 3.27Å; E195-T199 PolarHBondContact O-N 3.48Å; E195-T199 PolarHBondContact O-OG1 3.43Å
196T90.8Very high89.5Confident19 Ų1944.1 Ų44.112%0.11722%0.218CC..Hα-helixtrans-62.2-49.2177.9-61.80000110.9P66 N192 E193 I194 T199 E200P66-T196 HydrophobicContact CG-CG2 4.25Å; N192-T196 WeakPolarHBondContact O-CB 3.41Å; N192-T196 PolarHBondContact O-N 2.8Å; N192-T196 PolarHBondContact O-OG1 3.32Å; E193-T196 PolarHBondContact O-N 3.08Å; I194-T196 VanDerWaalsContact C-N 3.31Å; I194-T196 PolarHBondContact O-N 3.09Å; T196-T199 PolarHBondContact O-N 2.76Å; T196-E200 WeakPolarHBondContact O-CG 3.12Å; T196-E200 PolarHBondContact O-N 2.89Å
197R92.7Very high89.6Confident0 Ų039.8 Ų39.80%020%0.196CC..Hα-helixtrans-67.2-39180-62.7-55.9169.1-160.6-3.5112.8I60 A63 C144 R147 I148 E193 I194 T199 E200 I201I60-R197 VanDerWaalsContact CG2-NH1 3.32Å; I60-R197 PolarHBondContact O-NH1 3.04Å; I60-R197 PolarHBondContact O-NH2 2.78Å; A63-R197 PolarHBondContact O-NH2 2.64Å; C144-R197 HydrophobicContact CB-CB 4.36Å; R147-R197 HydrophobicContact CB-CG 4.25Å; I148-R197 HydrophobicContact CD1-CB 3.87Å; I148-R197 HydrophobicContact CG1-CB 3.65Å; I148-R197 HydrophobicContact CG1-CG 4.46Å; E193-R197 HydrophobicContact CG-CG 4.29Å; E193-R197 VanDerWaalsContact O-CG 3.31Å; E193-R197 WeakPolarHBondContact O-CG 3.44Å; E193-R197 PolarHBondContact O-N 2.96Å; I194-R197 PolarHBondContact O-N 3.08Å; R197-T199 VanDerWaalsContact C-N 3.33Å; R197-T199 PolarHBondContact O-N 3.29Å; R197-E200 WeakPolarHBondContact CD-OE2 3.42Å; R197-E200 IonicContact CZ-OE2 3.89Å; R197-E200 IonicContact NH1-OE1 2.83Å; R197-E200 PolarHBondContact NH1-OE1 3.48Å; R197-E200 IonicContact NH1-OE2 3.82Å; R197-E200 PolarHBondContact NH1-OE2 2.83Å; R197-E200 WeakPolarHBondContact O-CB 3.24Å; R197-E200 PolarHBondContact O-N 3.08Å; R197-I201 WeakPolarHBondContact O-CG1 3.44Å; R197-I201 PolarHBondContact O-N 3.39Å
198H92.1Very high89.6Confident8 Ų840.7 Ų40.74%0.03720%0.201CC..Hα-helixtrans-61.1-44.5174.9177.4-104000111.1I148 L173 F176 I194 E200 I201 I202I148-H198 HydrophobicContact CD1-CB 4.45Å; L173-H198 HydrophobicContact CD1-CB 4.46Å; F176-H198 AromaticContact CE2-CD2 3.67Å; I194-H198 VanDerWaalsContact O-CB 3.26Å; I194-H198 WeakPolarHBondContact O-CB 3.27Å; I194-H198 PolarHBondContact O-N 3.11Å; H198-E200 VanDerWaalsContact C-N 3.3Å; H198-E200 PolarHBondContact O-N 3.13Å; H198-I201 PolarHBondContact O-N 3.03Å; H198-I202 WeakPolarHBondContact CE1-CD1 3.4Å; H198-I202 WeakPolarHBondContact O-CG1 3.45Å; H198-I202 PolarHBondContact O-N 3.48Å
199T90.4Very high89.7Confident59 Ų5941.9 Ų41.936%0.36220%0.202SC..Hα-helixtrans-60.9-40.4175.4-58.20000111.9E195 T196 R197 I202 K203E195-T199 WeakPolarHBondContact O-CB 3.27Å; E195-T199 PolarHBondContact O-N 3.48Å; E195-T199 PolarHBondContact O-OG1 3.43Å; T196-T199 PolarHBondContact O-N 2.76Å; R197-T199 VanDerWaalsContact C-N 3.33Å; R197-T199 PolarHBondContact O-N 3.29Å; T199-I202 PolarHBondContact O-N 3.34Å; T199-K203 WeakPolarHBondContact O-CG 3.33Å; T199-K203 PolarHBondContact O-N 3.39Å
200E90.6Very high89.3Confident19 Ų1942.3 Ų42.39%0.08920%0.204CC..Hα-helixtrans-63.1-41.3175.4-72.6170.1-170.500112.3I60 Y140 T196 R197 H198 K203 L204I60-E200 WeakPolarHBondContact CG2-OE1 3.19Å; Y140-E200 HydrophobicContact CE1-CB 4.24Å; Y140-E200 VanDerWaalsContact OH-CD 3.31Å; Y140-E200 PolarHBondContact OH-OE2 2.79Å; T196-E200 WeakPolarHBondContact O-CG 3.12Å; T196-E200 PolarHBondContact O-N 2.89Å; R197-E200 WeakPolarHBondContact CD-OE2 3.42Å; R197-E200 IonicContact CZ-OE2 3.89Å; R197-E200 IonicContact NH1-OE1 2.83Å; R197-E200 PolarHBondContact NH1-OE1 3.48Å; R197-E200 IonicContact NH1-OE2 3.82Å; R197-E200 PolarHBondContact NH1-OE2 2.83Å; R197-E200 WeakPolarHBondContact O-CB 3.24Å; R197-E200 PolarHBondContact O-N 3.08Å; H198-E200 VanDerWaalsContact C-N 3.3Å; H198-E200 PolarHBondContact O-N 3.13Å; E200-K203 PolarHBondContact O-N 3.48Å; E200-L204 WeakPolarHBondContact O-CB 3.05Å; E200-L204 PolarHBondContact O-N 2.85Å
201I93.4Very high89Confident3 Ų342.4 Ų42.42%0.01520%0.204CC..Hα-helixtrans-60.6-46.4174.6-69.6171.1000110.6R141 C144 I148 L168 R197 H198 K203 L204 E205R141-I201 HydrophobicContact CG-CG1 4.48Å; R141-I201 HydrophobicContact CG-CG2 4.31Å; C144-I201 HydrophobicContact CB-CD1 3.78Å; C144-I201 HydrophobicContact CB-CG1 3.63Å; I148-I201 HydrophobicContact CD1-CD1 3.76Å; L168-I201 HydrophobicContact CD1-CD1 4.16Å; L168-I201 HydrophobicContact CD2-CD1 3.72Å; R197-I201 WeakPolarHBondContact O-CG1 3.44Å; R197-I201 PolarHBondContact O-N 3.39Å; H198-I201 PolarHBondContact O-N 3.03Å; I201-K203 PolarHBondContact O-N 3.1Å; I201-L204 WeakPolarHBondContact O-CB 3.34Å; I201-L204 PolarHBondContact O-N 2.97Å; I201-E205 HydrophobicContact CG2-CG 4.28Å; I201-E205 WeakPolarHBondContact CG2-OE1 2.84Å; I201-E205 WeakPolarHBondContact O-CG 3.49Å; I201-E205 PolarHBondContact O-N 3.38Å
202I91.3Very high88.7Confident60 Ų6046.8 Ų46.831%0.30822%0.224SC..Hα-helixtrans-60-45.5178.7-69.1167.8000111.4H198 T199 L204 E205 N206H198-I202 WeakPolarHBondContact CE1-CD1 3.4Å; H198-I202 WeakPolarHBondContact O-CG1 3.45Å; H198-I202 PolarHBondContact O-N 3.48Å; T199-I202 PolarHBondContact O-N 3.34Å; I202-L204 VanDerWaalsContact C-N 3.3Å; I202-L204 PolarHBondContact O-N 2.93Å; I202-E205 PolarHBondContact O-N 3.43Å; I202-N206 WeakPolarHBondContact O-CB 3.28Å; I202-N206 VanDerWaalsContact O-CG 3.24Å; I202-N206 PolarHBondContact O-N 3.25Å; I202-N206 PolarHBondContact O-ND2 3.02Å
203K90.1Very high88.1Confident93 Ų9349 Ų4940%0.40424%0.236SC..Hα-helixtrans-60.8-42178-73.4179.8-179.3-176.50111.4E75 T199 E200 I201 N206 S207E75-K203 WeakPolarHBondContact OE1-CE 3.45Å; E75-K203 IonicContact OE1-NZ 3.29Å; E75-K203 PolarHBondContact OE1-NZ 3.06Å; T199-K203 WeakPolarHBondContact O-CG 3.33Å; T199-K203 PolarHBondContact O-N 3.39Å; E200-K203 PolarHBondContact O-N 3.48Å; I201-K203 PolarHBondContact O-N 3.1Å; K203-N206 PolarHBondContact O-N 3.03Å; K203-S207 PolarHBondContact O-N 3.16Å
204L90.9Very high87.7Confident7 Ų748.8 Ų48.84%0.03724%0.235CC..Hα-helixtrans-64.2-47.9177.5179.2142.3000112.5Q137 Y140 R141 E200 I201 I202 N206 S207 I208Q137-L204 HydrophobicContact CB-CD1 3.91Å; Q137-L204 HydrophobicContact CB-CD2 4.39Å; Q137-L204 HydrophobicContact CB-CG 4.07Å; Q137-L204 VanDerWaalsContact O-CD1 3.23Å; Q137-L204 WeakPolarHBondContact O-CD1 3.46Å; Q137-L204 VanDerWaalsContact OE1-CG 3.24Å; Y140-L204 HydrophobicContact CD1-CD1 3.59Å; Y140-L204 HydrophobicContact CG-CD1 4.29Å; R141-L204 HydrophobicContact CB-CD1 4.34Å; R141-L204 HydrophobicContact CB-CD2 3.72Å; R141-L204 HydrophobicContact CG-CD2 3.99Å; E200-L204 WeakPolarHBondContact O-CB 3.05Å; E200-L204 PolarHBondContact O-N 2.85Å; I201-L204 WeakPolarHBondContact O-CB 3.34Å; I201-L204 PolarHBondContact O-N 2.97Å; I202-L204 VanDerWaalsContact C-N 3.3Å; I202-L204 PolarHBondContact O-N 2.93Å; L204-N206 VanDerWaalsContact C-N 3.27Å; L204-N206 PolarHBondContact O-N 3.02Å; L204-S207 WeakPolarHBondContact O-CB 3.49Å; L204-S207 PolarHBondContact O-N 3.38Å; L204-S207 VanDerWaalsContact O-N 3.09Å; L204-I208 HydrophobicContact CD2-CD1 3.63Å; L204-I208 HydrophobicContact CD2-CG1 4.47Å; L204-I208 HydrophobicContact CG-CD1 4.32Å; L204-I208 WeakPolarHBondContact O-CG1 3.43Å; L204-I208 PolarHBondContact O-N 3.35Å
205E89.6Confident87.1Confident60 Ų6051 Ų5128%0.2825%0.245SC..Hα-helixtrans-61.5-37.9177.6-73.7177.5-179.400111.8I201 I202 I208 R209I201-E205 HydrophobicContact CG2-CG 4.28Å; I201-E205 WeakPolarHBondContact CG2-OE1 2.84Å; I201-E205 WeakPolarHBondContact O-CG 3.49Å; I201-E205 PolarHBondContact O-N 3.38Å; I202-E205 PolarHBondContact O-N 3.43Å; E205-I208 PolarHBondContact O-N 2.96Å; E205-R209 VanDerWaalsContact O-CB 3.26Å; E205-R209 WeakPolarHBondContact O-CB 3.24Å; E205-R209 PolarHBondContact O-N 3.18Å
206N88.8Confident86.6Confident71 Ų7149.8 Ų49.838%0.3824%0.243SC..Hα-helixtrans-63-45172.4-70.6-23.3000111.5I202 K203 L204 I208 R209 E210I202-N206 WeakPolarHBondContact O-CB 3.28Å; I202-N206 VanDerWaalsContact O-CG 3.24Å; I202-N206 PolarHBondContact O-N 3.25Å; I202-N206 PolarHBondContact O-ND2 3.02Å; K203-N206 PolarHBondContact O-N 3.03Å; L204-N206 VanDerWaalsContact C-N 3.27Å; L204-N206 PolarHBondContact O-N 3.02Å; N206-I208 PolarHBondContact O-N 3.26Å; N206-R209 PolarHBondContact O-N 3.5Å; N206-R209 PolarHBondContact OD1-NH1 3.31Å; N206-E210 VanDerWaalsContact O-CG 3.28Å; N206-E210 WeakPolarHBondContact O-CG 3.43Å; N206-E210 PolarHBondContact O-N 2.97Å
207S86.4Confident85.8Confident10 Ų1050.9 Ų50.97%0.0725%0.248CC..Hα-helixtrans-60.2-44.3176.4178.90000112.4T78 Y133 K203 L204 E210 L211T78-S207 VanDerWaalsContact CG2-OG 3.28Å; T78-S207 WeakPolarHBondContact CG2-OG 3.49Å; Y133-S207 PolarHBondContact OH-OG 3.47Å; Y133-S207 VanDerWaalsContact OH-OG 3.06Å; K203-S207 PolarHBondContact O-N 3.16Å; L204-S207 WeakPolarHBondContact O-CB 3.49Å; L204-S207 PolarHBondContact O-N 3.38Å; L204-S207 VanDerWaalsContact O-N 3.09Å; S207-E210 PolarHBondContact O-N 3.33Å; S207-L211 WeakPolarHBondContact O-CG 3.12Å; S207-L211 PolarHBondContact O-N 3.5Å
208I86.5Confident84.8Confident44 Ų4451.2 Ų51.223%0.22625%0.25CC..Hα-helixtrans-63.6-44.6176.4-65.5174.6000110.3Q137 L204 E205 N206 E210 L211 H212Q137-I208 HydrophobicContact CB-CD1 3.86Å; Q137-I208 HydrophobicContact CB-CG1 4.09Å; Q137-I208 HydrophobicContact CG-CG1 4.46Å; L204-I208 HydrophobicContact CD2-CD1 3.63Å; L204-I208 HydrophobicContact CD2-CG1 4.47Å; L204-I208 HydrophobicContact CG-CD1 4.32Å; L204-I208 WeakPolarHBondContact O-CG1 3.43Å; L204-I208 PolarHBondContact O-N 3.35Å; E205-I208 PolarHBondContact O-N 2.96Å; N206-I208 PolarHBondContact O-N 3.26Å; I208-E210 VanDerWaalsContact C-N 3.32Å; I208-E210 PolarHBondContact O-N 2.87Å; I208-L211 CarbonylContact O-C 3.59Å; I208-L211 PolarHBondContact O-N 3.43Å; I208-L211 VanDerWaalsContact O-N 3.1Å; I208-H212 PolarHBondContact O-N 3.44Å
209R86.9Confident83.9Confident146 Ų14653.7 Ų53.755%0.55127%0.272SS*.Hα-helixtrans-62.1-39.2179.3-170-178.9-61.7105.71.6112.1E205 N206 L211 H212E205-R209 VanDerWaalsContact O-CB 3.26Å; E205-R209 WeakPolarHBondContact O-CB 3.24Å; E205-R209 PolarHBondContact O-N 3.18Å; N206-R209 PolarHBondContact O-N 3.5Å; N206-R209 PolarHBondContact OD1-NH1 3.31Å; R209-L211 PolarHBondContact O-N 3.01Å; R209-H212 WeakPolarHBondContact O-CB 3.46Å; R209-H212 PolarHBondContact O-N 3.22Å
210E80.6Confident83Confident111 Ų11155.7 Ų55.752%0.51928%0.278SS..Hα-helixtrans-67-24.8176.5-72.9-176.915500113.4K82 N206 S207 I208K82-E210 WeakPolarHBondContact CE-OE2 3.43Å; K82-E210 IonicContact NZ-OE1 2.64Å; K82-E210 PolarHBondContact NZ-OE1 3.06Å; K82-E210 IonicContact NZ-OE2 3.73Å; K82-E210 PolarHBondContact NZ-OE2 3.4Å; N206-E210 VanDerWaalsContact O-CG 3.28Å; N206-E210 WeakPolarHBondContact O-CG 3.43Å; N206-E210 PolarHBondContact O-N 2.97Å; S207-E210 PolarHBondContact O-N 3.33Å; I208-E210 VanDerWaalsContact C-N 3.32Å; I208-E210 PolarHBondContact O-N 2.87Å
211L81.7Confident81.9Confident3 Ų356 Ų562%0.01628%0.28CS..Hα-helixtrans-94.6-4.7175.3-64.7172.1000112.8M130 Y133 S207 I208 R209 D213 M214 F215M130-L211 HydrophobicContact CE-CD1 3.98Å; M130-L211 HydrophobicContact CE-CD2 4.26Å; Y133-L211 HydrophobicContact CD1-CD1 3.8Å; Y133-L211 HydrophobicContact CE1-CD1 3.34Å; S207-L211 WeakPolarHBondContact O-CG 3.12Å; S207-L211 PolarHBondContact O-N 3.5Å; I208-L211 CarbonylContact O-C 3.59Å; I208-L211 PolarHBondContact O-N 3.43Å; I208-L211 VanDerWaalsContact O-N 3.1Å; R209-L211 PolarHBondContact O-N 3.01Å; L211-D213 VanDerWaalsContact C-N 3.33Å; L211-D213 PolarHBondContact O-N 3.08Å; L211-M214 HydrophobicContact CD2-CE 3.72Å; L211-M214 HydrophobicContact CD2-SD 4.16Å; L211-M214 WeakPolarHBondContact O-CA 3.44Å; L211-M214 VanDerWaalsContact O-CB 3.27Å; L211-M214 WeakPolarHBondContact O-CB 3.37Å; L211-M214 PolarHBondContact O-N 3.44Å; L211-F215 HydrophobicContact CB-CD2 4.27Å; L211-F215 HydrophobicContact CB-CE2 3.92Å; L211-F215 VanDerWaalsContact O-CD2 3.27Å; L211-F215 WeakPolarHBondContact O-CD2 3.44Å; L211-F215 PolarHBondContact O-N 3.05Å
212H80.7Confident80.6Confident105 Ų10558.9 Ų58.949%0.48630%0.298SS..Hα-helixtrans-55.7-47.6-179.8177.6-88.1000111.9I208 R209 M214 F215 V216I208-H212 PolarHBondContact O-N 3.44Å; R209-H212 WeakPolarHBondContact O-CB 3.46Å; R209-H212 PolarHBondContact O-N 3.22Å; H212-M214 PolarHBondContact O-N 3.29Å; H212-F215 PolarHBondContact O-N 3.5Å; H212-V216 WeakPolarHBondContact O-CG2 3.35Å; H212-V216 PolarHBondContact O-N 2.91Å
213D76.1Confident79.5Confident112 Ų11263.8 Ų63.860%0.59932%0.32SS*.Hα-helixtrans-59.7-33.6178.3-67.7-8.5000111.9L211 D217L211-D213 VanDerWaalsContact C-N 3.33Å; L211-D213 PolarHBondContact O-N 3.08Å; D213-D217 PolarHBondContact O-N 3.2Å; D213-D217 VanDerWaalsContact O-N 3.08Å
214M81.4Confident78Confident4 Ų463.5 Ų63.52%0.0233%0.329CS..Hα-helixtrans-70.1-41.9175-174.4-176.4-56.100111.5A85 F126 M130 L211 H212 V216 D217 M218A85-M214 HydrophobicContact CB-CE 3.61Å; A85-M214 HydrophobicContact CB-SD 3.6Å; A85-M214 VanDerWaalsContact CB-SD 3.6Å; F126-M214 HydrophobicContact CE1-SD 4.39Å; F126-M214 HydrophobicContact CZ-CG 4.4Å; F126-M214 HydrophobicContact CZ-SD 3.68Å; M130-M214 HydrophobicContact CE-SD 3.94Å; M130-M214 HydrophobicContact SD-SD 4.5Å; L211-M214 HydrophobicContact CD2-CE 3.72Å; L211-M214 HydrophobicContact CD2-SD 4.16Å; L211-M214 WeakPolarHBondContact O-CA 3.44Å; L211-M214 VanDerWaalsContact O-CB 3.27Å; L211-M214 WeakPolarHBondContact O-CB 3.37Å; L211-M214 PolarHBondContact O-N 3.44Å; H212-M214 PolarHBondContact O-N 3.29Å; M214-V216 VanDerWaalsContact C-N 3.32Å; M214-V216 PolarHBondContact O-N 3.07Å; M214-D217 PolarHBondContact O-N 3.2Å; M214-M218 HydrophobicContact CG-CG 4.43Å; M214-M218 HydrophobicContact CG-SD 3.72Å; M214-M218 WeakPolarHBondContact O-CB 3.19Å; M214-M218 WeakPolarHBondContact O-CG 3.45Å; M214-M218 PolarHBondContact O-N 3.33Å; M214-M218 HydrophobicContact SD-SD 4.4Å
215F78.2Confident76.3Confident48 Ų4864.9 Ų64.921%0.21134%0.336CS..Hα-helixtrans-63.5-37.8175.8-73.5-59000112.8M130 N134 L211 H212 M218 A219M130-F215 HydrophobicContact CB-CE1 3.79Å; M130-F215 HydrophobicContact CB-CZ 4.32Å; M130-F215 HydrophobicContact CE-CZ 4.39Å; M130-F215 WeakPolarHBondContact O-CE1 3.38Å; M130-F215 WeakPolarHBondContact O-CZ 3.4Å; N134-F215 HydrophobicContact CB-CE1 4.34Å; N134-F215 HydrophobicContact CB-CE2 4.26Å; N134-F215 HydrophobicContact CB-CZ 3.71Å; L211-F215 HydrophobicContact CB-CD2 4.27Å; L211-F215 HydrophobicContact CB-CE2 3.92Å; L211-F215 VanDerWaalsContact O-CD2 3.27Å; L211-F215 WeakPolarHBondContact O-CD2 3.44Å; L211-F215 PolarHBondContact O-N 3.05Å; H212-F215 PolarHBondContact O-N 3.5Å; F215-M218 PolarHBondContact O-N 2.95Å; F215-A219 WeakPolarHBondContact O-CB 3.44Å; F215-A219 PolarHBondContact O-N 3.05Å
216V79.9Confident74.6Confident63 Ų6363.7 Ų63.738%0.38234%0.34SS..Hα-helixtrans-64.9-48.7175.4175.10000110.8H212 M214 M218 A219 M220H212-V216 WeakPolarHBondContact O-CG2 3.35Å; H212-V216 PolarHBondContact O-N 2.91Å; M214-V216 VanDerWaalsContact C-N 3.32Å; M214-V216 PolarHBondContact O-N 3.07Å; V216-M218 VanDerWaalsContact C-N 3.25Å; V216-M218 PolarHBondContact O-N 3.49Å; V216-A219 PolarHBondContact O-N 3.41Å; V216-M220 HydrophobicContact CG1-CE 4.06Å; V216-M220 PolarHBondContact O-N 3.45Å
217D74.1Confident72.9Confident42 Ų4269.2 Ų69.223%0.22536%0.363CS..Hα-helixtrans-56-42.7174.9-79.1-17.5000111.3R89 D213 M214 M220 L221R89-D217 IonicContact CZ-OD2 3.43Å; R89-D217 IonicContact NH1-OD2 2.62Å; R89-D217 PolarHBondContact NH1-OD2 3.03Å; D213-D217 PolarHBondContact O-N 3.2Å; D213-D217 VanDerWaalsContact O-N 3.08Å; M214-D217 PolarHBondContact O-N 3.2Å; D217-M220 PolarHBondContact O-N 3.1Å; D217-L221 WeakPolarHBondContact O-CB 3.25Å; D217-L221 WeakPolarHBondContact O-CG 3.02Å; D217-L221 PolarHBondContact O-N 2.57Å
218M72.1Confident71Confident7 Ų773.8 Ų73.83%0.03439%0.385CS..Hα-helixtrans-71.2-36.9-177.9-71.7175.679.300113F126 V127 M130 M214 F215 V216 M220 L221 V222F126-M218 HydrophobicContact CB-CE 4.27Å; F126-M218 HydrophobicContact CD1-CE 3.2Å; F126-M218 HydrophobicContact CD1-CG 4.47Å; F126-M218 HydrophobicContact CD1-SD 3.83Å; F126-M218 HydrophobicContact CD2-CE 4.4Å; F126-M218 HydrophobicContact CE1-CE 3.47Å; F126-M218 VanDerWaalsContact CE1-CE 3.47Å; F126-M218 HydrophobicContact CE1-CG 4.21Å; F126-M218 HydrophobicContact CE1-SD 3.41Å; F126-M218 WeakPolarHBondContact CE1-SD 3.31Å; F126-M218 HydrophobicContact CG-CE 3.71Å; F126-M218 HydrophobicContact CZ-CE 4.18Å; F126-M218 HydrophobicContact CZ-SD 3.98Å; V127-M218 HydrophobicContact CB-CE 3.78Å; V127-M218 HydrophobicContact CG2-CB 4.16Å; V127-M218 HydrophobicContact CG2-CE 3.33Å; V127-M218 VanDerWaalsContact N-CE 3.27Å; M130-M218 HydrophobicContact CB-CE 4.18Å; M130-M218 HydrophobicContact CB-SD 4.35Å; M130-M218 HydrophobicContact CG-CE 4.09Å; M130-M218 HydrophobicContact CG-SD 4.17Å; M214-M218 HydrophobicContact CG-CG 4.43Å; M214-M218 HydrophobicContact CG-SD 3.72Å; M214-M218 WeakPolarHBondContact O-CB 3.19Å; M214-M218 WeakPolarHBondContact O-CG 3.45Å; M214-M218 PolarHBondContact O-N 3.33Å; M214-M218 HydrophobicContact SD-SD 4.4Å; F215-M218 PolarHBondContact O-N 2.95Å; V216-M218 VanDerWaalsContact C-N 3.25Å; V216-M218 PolarHBondContact O-N 3.49Å; M218-M220 VanDerWaalsContact C-N 3.34Å; M218-L221 PolarHBondContact O-N 2.8Å; M218-V222 WeakPolarHBondContact O-CG2 3.34Å; M218-V222 PolarHBondContact O-N 2.98Å
219A71.8Confident69.4Low61 Ų6173.6 Ų73.650%0.50438%0.384SS..Hα-helixtrans-61.3-44.2173.900000111F215 V216 V222 E223F215-A219 WeakPolarHBondContact O-CB 3.44Å; F215-A219 PolarHBondContact O-N 3.05Å; V216-A219 PolarHBondContact O-N 3.41Å; A219-V222 PolarHBondContact O-N 2.67Å; A219-E223 WeakPolarHBondContact O-CB 3.4Å; A219-E223 PolarHBondContact O-N 3.45Å
220M71.8Confident67.7Low100 Ų10073.3 Ų73.349%0.49339%0.393SS..Hα-helixtrans-66-40.1176-66.9-174.1-65.500112.4V216 D217 M218 E223 S224V216-M220 HydrophobicContact CG1-CE 4.06Å; V216-M220 PolarHBondContact O-N 3.45Å; D217-M220 PolarHBondContact O-N 3.1Å; M218-M220 VanDerWaalsContact C-N 3.34Å; M220-E223 PolarHBondContact O-N 3.36Å; M220-S224 WeakPolarHBondContact O-CB 3.47Å; M220-S224 PolarHBondContact O-N 3.24Å; M220-S224 PolarHBondContact O-OG 3.41Å
221L67.8Low66.4Low25 Ų2576 Ų7613%0.13140%0.399CS..Hα-helixtrans-63.4-39.6176.6-84.6166.6000112.4E96 D217 M218 S224 Q225E96-L221 VanDerWaalsContact OE1-CD2 3.25Å; E96-L221 WeakPolarHBondContact OE1-CD2 3.5Å; D217-L221 WeakPolarHBondContact O-CB 3.25Å; D217-L221 WeakPolarHBondContact O-CG 3.02Å; D217-L221 PolarHBondContact O-N 2.57Å; M218-L221 PolarHBondContact O-N 2.8Å; L221-S224 PolarHBondContact O-OG 3.48Å; L221-Q225 WeakPolarHBondContact O-CB 3.46Å; L221-Q225 WeakPolarHBondContact O-CG 3.38Å; L221-Q225 PolarHBondContact O-N 2.98Å; L221-Q225 PolarHBondContact O-NE2 3.05Å
222V67.1Low65Low64 Ų6482.6 Ų82.639%0.38843%0.432SS..Hα-helixtrans-73.5-40.2178.2174.30000111.4V127 M218 A219 Q225V127-V222 HydrophobicContact CB-CG2 4.35Å; V127-V222 HydrophobicContact CG1-CG2 4.31Å; V127-V222 HydrophobicContact CG2-CG2 3.48Å; V127-V222 VanDerWaalsContact CG2-CG2 3.48Å; M218-V222 WeakPolarHBondContact O-CG2 3.34Å; M218-V222 PolarHBondContact O-N 2.98Å; A219-V222 PolarHBondContact O-N 2.67Å; V222-Q225 PolarHBondContact O-N 3.27Å
223E67.3Low63.5Low163 Ų16384.8 Ų84.876%0.76244%0.443SS*.Hα-helixtrans-64.9-44.9179-174.9173.7-16300112A219 M220 Q225 G226A219-E223 WeakPolarHBondContact O-CB 3.4Å; A219-E223 PolarHBondContact O-N 3.45Å; M220-E223 PolarHBondContact O-N 3.36Å; E223-Q225 VanDerWaalsContact C-N 3.32Å; E223-Q225 PolarHBondContact O-N 3.34Å; E223-G226 PolarHBondContact O-N 2.95Å
224S59.2Low62.5Low87 Ų8783.4 Ų83.461%0.60843%0.43SS*.Hα-helixtrans-68-27.7179.956.80000113.9M220 L221M220-S224 WeakPolarHBondContact O-CB 3.47Å; M220-S224 PolarHBondContact O-N 3.24Å; M220-S224 PolarHBondContact O-OG 3.41Å; L221-S224 PolarHBondContact O-OG 3.48Å
225Q54.3Low61.3Low37 Ų3785.3 Ų85.317%0.17344%0.44CS..Hα-helixtrans-76.7-21.3-179.1-75.6177.15300113.9H119 S120 L221 V222 E223H119-Q225 PolarHBondContact CE1-NE2 3.12Å; S120-Q225 PolarHBondContact OG-OE1 3.22Å; L221-Q225 WeakPolarHBondContact O-CB 3.46Å; L221-Q225 WeakPolarHBondContact O-CG 3.38Å; L221-Q225 PolarHBondContact O-N 2.98Å; L221-Q225 PolarHBondContact O-NE2 3.05Å; V222-Q225 PolarHBondContact O-N 3.27Å; E223-Q225 VanDerWaalsContact C-N 3.32Å; E223-Q225 PolarHBondContact O-N 3.34Å
226G54.6Low60.5Low35 Ų3587.2 Ų87.236%0.36146%0.456SS..  trans60.2168.7176.400000115.6E223 M228E223-G226 PolarHBondContact O-N 2.95Å; G226-M228 PolarHBondContact O-N 3.17Å
227E51.9Low59.3Low186 Ų18690.5 Ų90.587%0.86947%0.467SS*.G310 helixtrans-66.4-0.8174.1-83.8-172.4149.400114.1I229E227-I229 VanDerWaalsContact C-N 3.33Å; E227-I229 PolarHBondContact O-N 3.33Å
228M47.7Very low58.4Low106 Ų10692.1 Ų92.152%0.52247%0.473SS..G310 helixtrans-78.9-10.4-163.6-134-179.6-56.700114.8G226 Y234G226-M228 PolarHBondContact O-N 3.17Å; M228-Y234 HydrophobicContact CG-CD1 4.07Å; M228-Y234 HydrophobicContact CG-CD2 4.35Å; M228-Y234 HydrophobicContact CG-CE1 3.88Å; M228-Y234 HydrophobicContact CG-CE2 4.15Å; M228-Y234 HydrophobicContact CG-CG 4.3Å; M228-Y234 HydrophobicContact SD-CD1 4.41Å; M228-Y234 HydrophobicContact SD-CD2 4.43Å; M228-Y234 HydrophobicContact SD-CE1 3.66Å; M228-Y234 HydrophobicContact SD-CE2 3.66Å; M228-Y234 PolarHBondContact SD-OH 3.38Å
229I52.2Low57.7Low41 Ų4193.7 Ų93.721%0.2148%0.484CS..G310 helixtrans-87.9-20.6-177-66.4177.6000112.7S120 E227 R231S120-I229 WeakPolarHBondContact OG-CD1 3.32Å; E227-I229 VanDerWaalsContact C-N 3.33Å; E227-I229 PolarHBondContact O-N 3.33Å; I229-R231 VanDerWaalsContact C-N 3.32Å; I229-R231 PolarHBondContact O-N 3.39Å
230D52.2Low56.9Low140 Ų14095.1 Ų95.175%0.74949%0.487SS*.SBendtrans-85.5-2.9-175.5-147.221.7000113.7I232D230-I232 PolarHBondContact O-N 3.35Å
231R53.3Low56Low168 Ų16894.7 Ų94.763%0.63449%0.486SS*.  trans-9096.4171.1-66.7-168.5-173.2-1584109.4I229 E233 Y234 N235I229-R231 VanDerWaalsContact C-N 3.32Å; I229-R231 PolarHBondContact O-N 3.39Å; R231-E233 PolarHBondContact O-N 3.04Å; R231-E233 VanDerWaalsContact O-N 3.08Å; R231-Y234 WeakPolarHBondContact O-CB 3.12Å; R231-Y234 PolarHBondContact O-N 3.46Å; R231-N235 PolarHBondContact O-N 3.23Å
232I52.5Low55.4Low140 Ų14098 Ų9872%0.71850%0.5SS*.Hα-helixtrans-45.7-38.2164.9-63.6174000110.3D230 N235 V236D230-I232 PolarHBondContact O-N 3.35Å; I232-N235 PolarHBondContact O-N 2.93Å; I232-V236 HydrophobicContact CG2-CG2 4.33Å; I232-V236 WeakPolarHBondContact O-CB 3.46Å; I232-V236 WeakPolarHBondContact O-CG2 3.43Å; I232-V236 PolarHBondContact O-N 3.24Å
233E47.7Very low55.1Low152 Ų15299.5 Ų99.571%0.7151%0.509SS*.Hα-helixtrans-59.8-43.6176.2-168.1170.8-154.600113.4R231 V236 E237R231-E233 PolarHBondContact O-N 3.04Å; R231-E233 VanDerWaalsContact O-N 3.08Å; E233-V236 PolarHBondContact O-N 3.44Å; E233-E237 WeakPolarHBondContact O-CB 3.05Å; E233-E237 PolarHBondContact O-N 3.34Å
234Y56.6Low54.5Low83 Ų8398.2 Ų98.233%0.32550%0.503SS..Hα-helixtrans-67.4-43.3179.2-175.9-97.5000111.8M228 R231 V236 E237 H238M228-Y234 HydrophobicContact CG-CD1 4.07Å; M228-Y234 HydrophobicContact CG-CD2 4.35Å; M228-Y234 HydrophobicContact CG-CE1 3.88Å; M228-Y234 HydrophobicContact CG-CE2 4.15Å; M228-Y234 HydrophobicContact CG-CG 4.3Å; M228-Y234 HydrophobicContact SD-CD1 4.41Å; M228-Y234 HydrophobicContact SD-CD2 4.43Å; M228-Y234 HydrophobicContact SD-CE1 3.66Å; M228-Y234 HydrophobicContact SD-CE2 3.66Å; M228-Y234 PolarHBondContact SD-OH 3.38Å; R231-Y234 WeakPolarHBondContact O-CB 3.12Å; R231-Y234 PolarHBondContact O-N 3.46Å; Y234-V236 VanDerWaalsContact C-N 3.28Å; Y234-V236 PolarHBondContact O-N 2.96Å; Y234-E237 PolarHBondContact O-N 3.33Å; Y234-H238 AromaticContact CD1-CD2 3.93Å; Y234-H238 AromaticContact CE1-CD2 3.57Å; Y234-H238 AromaticContact CE1-NE2 3.51Å; Y234-H238 AromaticContact CE2-NE2 3.41Å; Y234-H238 WeakPolarHBondContact CE2-NE2 3.41Å; Y234-H238 AromaticContact CZ-CD2 3.65Å; Y234-H238 AromaticContact CZ-NE2 3.07Å; Y234-H238 PolarHBondContact O-CD2 3.22Å; Y234-H238 VanDerWaalsContact O-CD2 3.23Å; Y234-H238 PolarHBondContact O-N 3.11Å; Y234-H238 PolarHBondContact OH-NE2 2.96Å; Y234-H238 VanDerWaalsContact OH-NE2 3.13Å
235N55.6Low54.4Low44 Ų44102.5 Ų102.524%0.23551%0.506CS..Hα-helixtrans-67.4-29.6177.4-74-24.3000112.6R113 R231 I232 S239R113-N235 PolarHBondContact NH1-O 3.42Å; R231-N235 PolarHBondContact O-N 3.23Å; I232-N235 PolarHBondContact O-N 2.93Å; N235-S239 PolarHBondContact O-OG 3Å
236V61Low54.8Low88 Ų88103.4 Ų103.453%0.53352%0.519SS..Hα-helixtrans-75-40.6174.6171.60000111.2I232 E233 Y234 H238 S239I232-V236 HydrophobicContact CG2-CG2 4.33Å; I232-V236 WeakPolarHBondContact O-CB 3.46Å; I232-V236 WeakPolarHBondContact O-CG2 3.43Å; I232-V236 PolarHBondContact O-N 3.24Å; E233-V236 PolarHBondContact O-N 3.44Å; Y234-V236 VanDerWaalsContact C-N 3.28Å; Y234-V236 PolarHBondContact O-N 2.96Å; V236-H238 VanDerWaalsContact C-N 3.34Å; V236-H238 PolarHBondContact O-N 3.15Å; V236-S239 WeakPolarHBondContact O-CB 3.21Å; V236-S239 PolarHBondContact O-N 3.18Å; V236-S239 PolarHBondContact O-OG 3.23Å; V236-S239 VanDerWaalsContact O-OG 3.05Å
237E55.5Low55.4Low131 Ų131105 Ų10561%0.61252%0.522SS*.Hα-helixtrans-57.2-43.4178.2-169.7173.8-170.700112.2E233 Y234 S239 V240E233-E237 WeakPolarHBondContact O-CB 3.05Å; E233-E237 PolarHBondContact O-N 3.34Å; Y234-E237 PolarHBondContact O-N 3.33Å; E237-S239 PolarHBondContact O-N 3.46Å; E237-V240 WeakPolarHBondContact O-CB 3.27Å; E237-V240 WeakPolarHBondContact O-CG2 2.94Å; E237-V240 PolarHBondContact O-N 3.36Å
238H54.2Low56.2Low76 Ų7698.7 Ų98.735%0.35250%0.498SS..THydrogen-bonded Turntrans-71.8-4.5175.1-71-69.6000114.9Y234 V236 V240Y234-H238 AromaticContact CD1-CD2 3.93Å; Y234-H238 AromaticContact CE1-CD2 3.57Å; Y234-H238 AromaticContact CE1-NE2 3.51Å; Y234-H238 AromaticContact CE2-NE2 3.41Å; Y234-H238 WeakPolarHBondContact CE2-NE2 3.41Å; Y234-H238 AromaticContact CZ-CD2 3.65Å; Y234-H238 AromaticContact CZ-NE2 3.07Å; Y234-H238 PolarHBondContact O-CD2 3.22Å; Y234-H238 VanDerWaalsContact O-CD2 3.23Å; Y234-H238 PolarHBondContact O-N 3.11Å; Y234-H238 PolarHBondContact OH-NE2 2.96Å; Y234-H238 VanDerWaalsContact OH-NE2 3.13Å; V236-H238 VanDerWaalsContact C-N 3.34Å; V236-H238 PolarHBondContact O-N 3.15Å; H238-V240 VanDerWaalsContact C-N 3.33Å
239S56.8Low57.4Low40 Ų4097.8 Ų97.828%0.2850%0.496SS..THydrogen-bonded Turntrans-77.3-21.5172.6-48.60000113R113 N235 V236 E237 D241 F242R113-S239 VanDerWaalsContact NH1-CA 3.31Å; R113-S239 PolarHBondContact NH1-OG 3.44Å; N235-S239 PolarHBondContact O-OG 3Å; V236-S239 WeakPolarHBondContact O-CB 3.21Å; V236-S239 PolarHBondContact O-N 3.18Å; V236-S239 PolarHBondContact O-OG 3.23Å; V236-S239 VanDerWaalsContact O-OG 3.05Å; E237-S239 PolarHBondContact O-N 3.46Å; S239-D241 VanDerWaalsContact C-N 3.27Å; S239-D241 PolarHBondContact O-N 3.5Å; S239-F242 PolarHBondContact O-N 3.31Å
240V55.3Low58.4Low91 Ų9199.9 Ų99.955%0.55251%0.511SS*.Hα-helixtrans-66-31.5-168.7178.20000111.6E237 H238 F242 V243 E244E237-V240 WeakPolarHBondContact O-CB 3.27Å; E237-V240 WeakPolarHBondContact O-CG2 2.94Å; E237-V240 PolarHBondContact O-N 3.36Å; H238-V240 VanDerWaalsContact C-N 3.33Å; V240-F242 VanDerWaalsContact C-N 3.28Å; V240-F242 PolarHBondContact O-N 3.18Å; V240-V243 PolarHBondContact O-N 3.17Å; V240-E244 PolarHBondContact O-N 3.07Å
241D52.3Low59.3Low92 Ų92100.1 Ų100.149%0.49251%0.505SS..Hα-helixtrans-61.4-29.8-179.8-74.53.3000114.2S239 R245S239-D241 VanDerWaalsContact C-N 3.27Å; S239-D241 PolarHBondContact O-N 3.5Å; D241-R245 PolarHBondContact O-N 3.26Å
242F55.5Low60.4Low94 Ų9496.8 Ų96.841%0.41250%0.495SS..Hα-helixtrans-71.6-37.8177.6-95.2-82.6000112.8S108 S239 V240 E244 R245 A246S108-F242 WeakPolarHBondContact O-CE2 3.28Å; S108-F242 WeakPolarHBondContact O-CZ 3.42Å; S239-F242 PolarHBondContact O-N 3.31Å; V240-F242 VanDerWaalsContact C-N 3.28Å; V240-F242 PolarHBondContact O-N 3.18Å; F242-E244 VanDerWaalsContact C-N 3.29Å; F242-E244 PolarHBondContact O-N 3.26Å; F242-R245 PolarHBondContact O-N 3.13Å; F242-A246 WeakPolarHBondContact O-CB 3.45Å; F242-A246 PolarHBondContact O-N 2.92Å
243V60.6Low61.3Low95 Ų9592.9 Ų92.958%0.57648%0.483SS*.Hα-helixtrans-66.4-38.3177.9179.20000109.4V240 A246 V247V240-V243 PolarHBondContact O-N 3.17Å; V243-A246 PolarHBondContact O-N 2.87Å; V243-V247 HydrophobicContact CG1-CG2 4.24Å; V243-V247 WeakPolarHBondContact O-CB 3.19Å; V243-V247 WeakPolarHBondContact O-CG2 3.43Å; V243-V247 PolarHBondContact O-N 3.45Å
244E55.4Low62.7Low137 Ų13789.9 Ų89.964%0.6448%0.475SS*.Hα-helixtrans-65.8-41179.2-164.5170.5-163.100112.7V240 F242 V247 S248V240-E244 PolarHBondContact O-N 3.07Å; F242-E244 VanDerWaalsContact C-N 3.29Å; F242-E244 PolarHBondContact O-N 3.26Å; E244-V247 PolarHBondContact O-N 3.44Å; E244-S248 WeakPolarHBondContact O-CB 3.37Å; E244-S248 PolarHBondContact O-N 3.31Å
245R57.4Low63.7Low177 Ų17792.7 Ų92.767%0.66849%0.489SS*.Hα-helixtrans-66.2-43.3172.8-71.5-174.5-171.7179.55112.4D241 F242 V247 S248 D249D241-R245 PolarHBondContact O-N 3.26Å; F242-R245 PolarHBondContact O-N 3.13Å; R245-V247 VanDerWaalsContact C-N 3.33Å; R245-V247 PolarHBondContact O-N 3.48Å; R245-S248 WeakPolarHBondContact O-CB 3.38Å; R245-S248 PolarHBondContact O-N 3.16Å; R245-S248 VanDerWaalsContact O-N 3.11Å; R245-D249 PolarHBondContact O-N 2.83Å
246A61.7Low64.8Low55 Ų5598.2 Ų98.246%0.45551%0.508SS..Hα-helixtrans-61.9-39.6176.500000112.2F242 V243 S248 D249 T250F242-A246 WeakPolarHBondContact O-CB 3.45Å; F242-A246 PolarHBondContact O-N 2.92Å; V243-A246 PolarHBondContact O-N 2.87Å; A246-S248 VanDerWaalsContact C-N 3.33Å; A246-D249 PolarHBondContact O-N 2.99Å; A246-T250 WeakPolarHBondContact O-CB 3.43Å; A246-T250 VanDerWaalsContact O-CG2 3.27Å; A246-T250 WeakPolarHBondContact O-CG2 3.39Å; A246-T250 PolarHBondContact O-N 3.21Å; A246-T250 PolarHBondContact O-OG1 2.89Å
247V66.9Low65.5Low68 Ų6899.3 Ų99.341%0.41251%0.507SS..Hα-helixtrans-66-35.7173.8170.60000111.6V243 E244 R245 T250 K251V243-V247 HydrophobicContact CG1-CG2 4.24Å; V243-V247 WeakPolarHBondContact O-CB 3.19Å; V243-V247 WeakPolarHBondContact O-CG2 3.43Å; V243-V247 PolarHBondContact O-N 3.45Å; E244-V247 PolarHBondContact O-N 3.44Å; R245-V247 VanDerWaalsContact C-N 3.33Å; R245-V247 PolarHBondContact O-N 3.48Å; V247-T250 WeakPolarHBondContact CA-OG1 3.43Å; V247-T250 PolarHBondContact O-OG1 3.11Å; V247-K251 WeakPolarHBondContact O-CB 3.33Å; V247-K251 WeakPolarHBondContact O-CG 3.45Å; V247-K251 PolarHBondContact O-N 2.99Å; V247-K251 VanDerWaalsContact O-N 3.16Å
248S69.8Low66.5Low54 Ų5494.9 Ų94.938%0.37849%0.491SS..Hα-helixtrans-68.3-44.5175.7-170.60000112.3E244 R245 A246 K251 K252E244-S248 WeakPolarHBondContact O-CB 3.37Å; E244-S248 PolarHBondContact O-N 3.31Å; R245-S248 WeakPolarHBondContact O-CB 3.38Å; R245-S248 PolarHBondContact O-N 3.16Å; R245-S248 VanDerWaalsContact O-N 3.11Å; A246-S248 VanDerWaalsContact C-N 3.33Å; S248-K251 WeakPolarHBondContact O-CB 3.33Å; S248-K251 PolarHBondContact O-N 3.43Å; S248-K252 WeakPolarHBondContact O-CG 3.42Å; S248-K252 PolarHBondContact O-N 2.87Å
249D72.4Confident67.7Low88 Ų8896.2 Ų96.247%0.47150%0.497SS..Hα-helixtrans-74.1-35.4-177.7-70.8-20000112.3R245 A246 K251 K252 A253R245-D249 PolarHBondContact O-N 2.83Å; A246-D249 PolarHBondContact O-N 2.99Å; D249-K251 PolarHBondContact O-N 3.48Å; D249-K252 PolarHBondContact O-N 2.97Å; D249-K252 IonicContact OD1-NZ 2.87Å; D249-K252 PolarHBondContact OD1-NZ 2.96Å; D249-A253 WeakPolarHBondContact O-CB 3.41Å; D249-A253 PolarHBondContact O-N 3.35Å
250T73Confident68.7Low85 Ų8597 Ų9752%0.52151%0.507SS..Hα-helixtrans-61.6-41.3168.650.20000111.7A246 V247 K252 A253 V254A246-T250 WeakPolarHBondContact O-CB 3.43Å; A246-T250 VanDerWaalsContact O-CG2 3.27Å; A246-T250 WeakPolarHBondContact O-CG2 3.39Å; A246-T250 PolarHBondContact O-N 3.21Å; A246-T250 PolarHBondContact O-OG1 2.89Å; V247-T250 WeakPolarHBondContact CA-OG1 3.43Å; V247-T250 PolarHBondContact O-OG1 3.11Å; T250-K252 PolarHBondContact O-N 3.47Å; T250-A253 PolarHBondContact O-N 3.5Å; T250-V254 WeakPolarHBondContact O-CG2 3.4Å; T250-V254 PolarHBondContact O-N 3.35Å
251K71.3Confident69.9Low144 Ų14499.4 Ų99.463%0.62651%0.506SS*.Hα-helixtrans-60.5-41.1172.6-85.9177.7-180171.30112.6V247 S248 D249 K255V247-K251 WeakPolarHBondContact O-CB 3.33Å; V247-K251 WeakPolarHBondContact O-CG 3.45Å; V247-K251 PolarHBondContact O-N 2.99Å; V247-K251 VanDerWaalsContact O-N 3.16Å; S248-K251 WeakPolarHBondContact O-CB 3.33Å; S248-K251 PolarHBondContact O-N 3.43Å; D249-K251 PolarHBondContact O-N 3.48Å; K251-K255 WeakPolarHBondContact O-CG 3.14Å; K251-K255 PolarHBondContact O-N 3.45Å; K251-K255 VanDerWaalsContact O-N 3.14Å
252K75.9Confident71.2Confident99 Ų99102.4 Ų102.443%0.4351%0.514SS..Hα-helixtrans-66.7-43.4175.9-69.7172.7-162.2153.80111.4S248 D249 T250 V254 K255 Y256S248-K252 WeakPolarHBondContact O-CG 3.42Å; S248-K252 PolarHBondContact O-N 2.87Å; D249-K252 PolarHBondContact O-N 2.97Å; D249-K252 IonicContact OD1-NZ 2.87Å; D249-K252 PolarHBondContact OD1-NZ 2.96Å; T250-K252 PolarHBondContact O-N 3.47Å; K252-V254 PolarHBondContact O-N 3.45Å; K252-K255 WeakPolarHBondContact O-CB 3.39Å; K252-K255 PolarHBondContact O-N 2.87Å; K252-K255 VanDerWaalsContact O-N 3.13Å; K252-Y256 HydrophobicContact CB-CD2 4.41Å; K252-Y256 HydrophobicContact CB-CE2 4.17Å; K252-Y256 WeakPolarHBondContact O-CD2 3.4Å; K252-Y256 PolarHBondContact O-N 2.88Å
253A73.2Confident72.5Confident57 Ų57104.6 Ų104.647%0.47152%0.524SS..Hα-helixtrans-58.8-45.6177.700000111.8D249 T250 K255 Y256 Q257D249-A253 WeakPolarHBondContact O-CB 3.41Å; D249-A253 PolarHBondContact O-N 3.35Å; T250-A253 PolarHBondContact O-N 3.5Å; A253-K255 VanDerWaalsContact C-N 3.34Å; A253-K255 PolarHBondContact O-N 3Å; A253-Y256 PolarHBondContact O-N 3.24Å; A253-Q257 WeakPolarHBondContact O-CB 3.48Å; A253-Q257 PolarHBondContact O-N 3.42Å
254V76.4Confident73.6Confident89 Ų89106.9 Ų106.954%0.53953%0.526SS..Hα-helixtrans-61.1-41.8174.6172.90000111.4T250 K252 Q257 S258T250-V254 WeakPolarHBondContact O-CG2 3.4Å; T250-V254 PolarHBondContact O-N 3.35Å; K252-V254 PolarHBondContact O-N 3.45Å; V254-Q257 PolarHBondContact O-N 3.31Å; V254-S258 WeakPolarHBondContact O-CB 3.42Å; V254-S258 PolarHBondContact O-N 3.27Å
255K77.7Confident75Confident143 Ų143105.9 Ų105.962%0.62252%0.524SS*.Hα-helixtrans-61.1-48.3175-78.5-177.2179.4-179.60111.6K251 K252 A253 S258 Q259K251-K255 WeakPolarHBondContact O-CG 3.14Å; K251-K255 PolarHBondContact O-N 3.45Å; K251-K255 VanDerWaalsContact O-N 3.14Å; K252-K255 WeakPolarHBondContact O-CB 3.39Å; K252-K255 PolarHBondContact O-N 2.87Å; K252-K255 VanDerWaalsContact O-N 3.13Å; A253-K255 VanDerWaalsContact C-N 3.34Å; A253-K255 PolarHBondContact O-N 3Å; K255-S258 PolarHBondContact O-N 2.93Å; K255-S258 PolarHBondContact O-OG 3.13Å; K255-Q259 WeakPolarHBondContact O-CG 3.46Å; K255-Q259 PolarHBondContact O-N 3.14Å
256Y78.9Confident76.3Confident159 Ų159103.8 Ų103.862%0.62452%0.524SS*.Hα-helixtrans-62-43.8178-72-54.5000112.3K252 A253 S258 Q259 A260K252-Y256 HydrophobicContact CB-CD2 4.41Å; K252-Y256 HydrophobicContact CB-CE2 4.17Å; K252-Y256 WeakPolarHBondContact O-CD2 3.4Å; K252-Y256 PolarHBondContact O-N 2.88Å; A253-Y256 PolarHBondContact O-N 3.24Å; Y256-S258 VanDerWaalsContact C-N 3.33Å; Y256-S258 PolarHBondContact O-N 3.41Å; Y256-Q259 PolarHBondContact O-N 3.26Å; Y256-A260 WeakPolarHBondContact O-CB 3.42Å; Y256-A260 PolarHBondContact O-N 2.87Å
257Q74.5Confident77.6Confident111 Ų111106.5 Ų106.552%0.51953%0.529SS..Hα-helixtrans-60-43.6176.1-163.2-164.342.300111.2A253 V254 Q259 A260 R261A253-Q257 WeakPolarHBondContact O-CB 3.48Å; A253-Q257 PolarHBondContact O-N 3.42Å; V254-Q257 PolarHBondContact O-N 3.31Å; Q257-Q259 PolarHBondContact O-N 2.86Å; Q257-A260 PolarHBondContact O-N 2.73Å; Q257-R261 WeakPolarHBondContact O-CG 3.46Å; Q257-R261 PolarHBondContact O-N 3Å
258S77.1Confident78.6Confident39 Ų39107.4 Ų107.427%0.27353%0.531SS..Hα-helixtrans-64.3-37.5178.178.40000113V254 K255 Y256 K262V254-S258 WeakPolarHBondContact O-CB 3.42Å; V254-S258 PolarHBondContact O-N 3.27Å; K255-S258 PolarHBondContact O-N 2.93Å; K255-S258 PolarHBondContact O-OG 3.13Å; Y256-S258 VanDerWaalsContact C-N 3.33Å; Y256-S258 PolarHBondContact O-N 3.41Å; S258-K262 WeakPolarHBondContact O-CG 3.48Å; S258-K262 PolarHBondContact O-N 2.96Å
259Q80Confident79.6Confident103 Ų103108.2 Ų108.248%0.48153%0.533SS..Hα-helixtrans-72-39.6176.4-70.3-178.85.800111.7K255 Y256 Q257 R261 K262 K263K255-Q259 WeakPolarHBondContact O-CG 3.46Å; K255-Q259 PolarHBondContact O-N 3.14Å; Y256-Q259 PolarHBondContact O-N 3.26Å; Q257-Q259 PolarHBondContact O-N 2.86Å; Q259-R261 PolarHBondContact O-N 3.31Å; Q259-K262 PolarHBondContact O-N 3.29Å; Q259-K263 WeakPolarHBondContact O-CG 3.29Å; Q259-K263 PolarHBondContact O-N 3Å
260A77.4Confident80.4Confident58 Ų58107.1 Ų107.148%0.47953%0.532SS..Hα-helixtrans-61.7-41.9175.400000111.7Y256 Q257 K262 K263 K264Y256-A260 WeakPolarHBondContact O-CB 3.42Å; Y256-A260 PolarHBondContact O-N 2.87Å; Q257-A260 PolarHBondContact O-N 2.73Å; A260-K262 PolarHBondContact O-N 3.31Å; A260-K263 PolarHBondContact O-N 3.5Å; A260-K264 WeakPolarHBondContact O-CB 3.31Å; A260-K264 PolarHBondContact O-N 2.88Å
261R80.1Confident81.2Confident141 Ų141106.7 Ų106.753%0.53253%0.532SS..Hα-helixtrans-59.5-43.8174.2-72.5-169-65.8-1141.1112.4Q257 Q259 K264 L265Q257-R261 WeakPolarHBondContact O-CG 3.46Å; Q257-R261 PolarHBondContact O-N 3Å; Q259-R261 PolarHBondContact O-N 3.31Å; R261-K264 PolarHBondContact O-N 2.94Å; R261-L265 PolarHBondContact O-N 3.48Å
262K80.4Confident82Confident154 Ų154103.7 Ų103.767%0.6753%0.525SS*.Hα-helixtrans-64.3-42.4177-71.3178.8179.8-176.80112.2S258 Q259 A260 L265 M266S258-K262 WeakPolarHBondContact O-CG 3.48Å; S258-K262 PolarHBondContact O-N 2.96Å; Q259-K262 PolarHBondContact O-N 3.29Å; A260-K262 PolarHBondContact O-N 3.31Å; K262-L265 PolarHBondContact O-N 3.07Å; K262-M266 PolarHBondContact O-N 3.4Å; K262-M266 VanDerWaalsContact O-N 3.07Å
263K83.1Confident82.8Confident140 Ų140103.9 Ų103.961%0.60953%0.53SS*.Hα-helixtrans-64.7-40.8175.7-70.8-178.4-178.7-176.30111.9Q259 A260 L265 M266 I267Q259-K263 WeakPolarHBondContact O-CG 3.29Å; Q259-K263 PolarHBondContact O-N 3Å; A260-K263 PolarHBondContact O-N 3.5Å; K263-L265 PolarHBondContact O-N 3.25Å; K263-M266 WeakPolarHBondContact O-CB 3.39Å; K263-M266 PolarHBondContact O-N 3.35Å; K263-I267 VanDerWaalsContact O-CG1 3.31Å; K263-I267 WeakPolarHBondContact O-CG1 3.39Å; K263-I267 PolarHBondContact O-N 3.38Å
264K84.1Confident83.6Confident143 Ų143106.4 Ų106.462%0.62254%0.535SS*.Hα-helixtrans-60.1-44.2175.4-171.1179.9178.9-178.80111.6A260 R261 I267 I268A260-K264 WeakPolarHBondContact O-CB 3.31Å; A260-K264 PolarHBondContact O-N 2.88Å; R261-K264 PolarHBondContact O-N 2.94Å; K264-I267 PolarHBondContact O-N 3.29Å; K264-I268 HydrophobicContact CG-CD1 4.18Å; K264-I268 VanDerWaalsContact O-CG1 3.29Å; K264-I268 WeakPolarHBondContact O-CG1 3.44Å; K264-I268 PolarHBondContact O-N 3.31Å
265L84.1Confident84.2Confident117 Ų117104 Ų10461%0.61353%0.528SS*.Hα-helixtrans-62-45.5176-167.186.3000111.7R261 K262 K263 I267 I268 V269R261-L265 PolarHBondContact O-N 3.48Å; K262-L265 PolarHBondContact O-N 3.07Å; K263-L265 PolarHBondContact O-N 3.25Å; L265-I267 VanDerWaalsContact C-N 3.35Å; L265-I267 PolarHBondContact O-N 3.05Å; L265-I268 PolarHBondContact O-N 2.99Å; L265-V269 WeakPolarHBondContact O-CG2 3.48Å; L265-V269 PolarHBondContact O-N 3.43Å
266M85.2Confident84.8Confident133 Ų133101.6 Ų101.666%0.65553%0.525SS*.Hα-helixtrans-57.7-45.1175.5-101.2-87.6176.700112.1K262 K263 I268 V269 C270K262-M266 PolarHBondContact O-N 3.4Å; K262-M266 VanDerWaalsContact O-N 3.07Å; K263-M266 WeakPolarHBondContact O-CB 3.39Å; K263-M266 PolarHBondContact O-N 3.35Å; M266-I268 PolarHBondContact O-N 3.46Å; M266-V269 PolarHBondContact O-N 2.88Å; M266-C270 PolarHBondContact O-N 3.48Å; M266-C270 PolarHBondContact O-SG 2.91Å; M266-C270 VanDerWaalsContact O-SG 3.4Å
267I87.3Confident85.3Confident111 Ų11197.8 Ų97.857%0.56952%0.518SS*.Hα-helixtrans-62.5-44.3177.3-68166.7000110.8K263 K264 L265 V269 C270 C271K263-I267 VanDerWaalsContact O-CG1 3.31Å; K263-I267 WeakPolarHBondContact O-CG1 3.39Å; K263-I267 PolarHBondContact O-N 3.38Å; K264-I267 PolarHBondContact O-N 3.29Å; L265-I267 VanDerWaalsContact C-N 3.35Å; L265-I267 PolarHBondContact O-N 3.05Å; I267-V269 VanDerWaalsContact C-N 3.34Å; I267-V269 PolarHBondContact O-N 3.49Å; I267-C270 PolarHBondContact O-N 3.23Å; I267-C271 WeakPolarHBondContact O-CB 3.44Å; I267-C271 PolarHBondContact O-N 3.43Å; I267-C271 PolarHBondContact O-SG 3.29Å
268I89.5Confident85.8Confident88 Ų8897.3 Ų97.345%0.45152%0.519SS..Hα-helixtrans-59.2-46.1177.5-68.9165.4000110.6K264 L265 M266 C271 T272K264-I268 HydrophobicContact CG-CD1 4.18Å; K264-I268 VanDerWaalsContact O-CG1 3.29Å; K264-I268 WeakPolarHBondContact O-CG1 3.44Å; K264-I268 PolarHBondContact O-N 3.31Å; L265-I268 PolarHBondContact O-N 2.99Å; M266-I268 PolarHBondContact O-N 3.46Å; I268-C271 PolarHBondContact O-N 3.29Å; I268-T272 HydrophobicContact CG2-CG2 4.5Å; I268-T272 WeakPolarHBondContact O-CG2 3.28Å; I268-T272 PolarHBondContact O-N 3.28Å; I268-T272 PolarHBondContact O-OG1 3.04Å
269V90.4Very high86.1Confident70 Ų7098.5 Ų98.542%0.42453%0.531SS..Hα-helixtrans-63.4-41.2178173.30000111.7L265 M266 I267 T272 I273L265-V269 WeakPolarHBondContact O-CG2 3.48Å; L265-V269 PolarHBondContact O-N 3.43Å; M266-V269 PolarHBondContact O-N 2.88Å; I267-V269 VanDerWaalsContact C-N 3.34Å; I267-V269 PolarHBondContact O-N 3.49Å; V269-T272 WeakPolarHBondContact CA-OG1 3.47Å; V269-T272 PolarHBondContact O-N 3Å; V269-T272 PolarHBondContact O-OG1 3.45Å; V269-I273 HydrophobicContact CG1-CD1 3.91Å; V269-I273 VanDerWaalsContact O-CG1 3.28Å; V269-I273 WeakPolarHBondContact O-CG1 3.43Å; V269-I273 PolarHBondContact O-N 3.13Å; V269-I273 VanDerWaalsContact O-N 3.13Å
270C89.1Confident86.2Confident66 Ų6697.4 Ų97.445%0.44654%0.535SS..Hα-helixtrans-63.4-43.1175-72.30000112M266 I267 I273 L274M266-C270 PolarHBondContact O-N 3.48Å; M266-C270 PolarHBondContact O-SG 2.91Å; M266-C270 VanDerWaalsContact O-SG 3.4Å; I267-C270 PolarHBondContact O-N 3.23Å; C270-I273 PolarHBondContact O-N 2.98Å; C270-L274 WeakPolarHBondContact O-CB 3.34Å; C270-L274 WeakPolarHBondContact O-CG 3.48Å; C270-L274 PolarHBondContact O-N 2.9Å
271C88.9Confident86.4Confident76 Ų7698 Ų9851%0.51453%0.533SS..Hα-helixtrans-64.8-39.1178.3-71.30000112.5I267 I268 G275I267-C271 WeakPolarHBondContact O-CB 3.44Å; I267-C271 PolarHBondContact O-N 3.43Å; I267-C271 PolarHBondContact O-SG 3.29Å; I268-C271 PolarHBondContact O-N 3.29Å; C271-G275 PolarHBondContact O-N 3.47Å
272T89.6Confident86.4Confident80 Ų8095.6 Ų95.649%0.49153%0.53SS..Hα-helixtrans-66.9-42.9177.254.30000111.7I268 V269 G275 V276I268-T272 HydrophobicContact CG2-CG2 4.5Å; I268-T272 WeakPolarHBondContact O-CG2 3.28Å; I268-T272 PolarHBondContact O-N 3.28Å; I268-T272 PolarHBondContact O-OG1 3.04Å; V269-T272 WeakPolarHBondContact CA-OG1 3.47Å; V269-T272 PolarHBondContact O-N 3Å; V269-T272 PolarHBondContact O-OG1 3.45Å; T272-G275 PolarHBondContact O-N 2.9Å; T272-V276 WeakPolarHBondContact O-CG2 3.37Å; T272-V276 PolarHBondContact O-N 2.99Å
273I91Very high86Confident103 Ų10390.6 Ų90.653%0.52852%0.522SS..Hα-helixtrans-61.4-47.1176.1-66.4166.8000110.7V269 C270 G275 V276 V277V269-I273 HydrophobicContact CG1-CD1 3.91Å; V269-I273 VanDerWaalsContact O-CG1 3.28Å; V269-I273 WeakPolarHBondContact O-CG1 3.43Å; V269-I273 PolarHBondContact O-N 3.13Å; V269-I273 VanDerWaalsContact O-N 3.13Å; C270-I273 PolarHBondContact O-N 2.98Å; I273-G275 VanDerWaalsContact C-N 3.32Å; I273-G275 PolarHBondContact O-N 3.26Å; I273-V276 PolarHBondContact O-N 3.44Å; I273-V277 WeakPolarHBondContact O-CG2 3.49Å; I273-V277 PolarHBondContact O-N 3.4Å
274L90.4Very high85.3Confident110 Ų11087.2 Ų87.258%0.57653%0.526SS*.Hα-helixtrans-60.5-41.8176.8-74.8171.1000111.9C270 V276 V277 L278C270-L274 WeakPolarHBondContact O-CB 3.34Å; C270-L274 WeakPolarHBondContact O-CG 3.48Å; C270-L274 PolarHBondContact O-N 2.9Å; L274-V276 PolarHBondContact O-N 3.33Å; L274-V277 PolarHBondContact O-N 3.45Å; L274-L278 WeakPolarHBondContact O-CB 3.28Å; L274-L278 VanDerWaalsContact O-CG 3.3Å; L274-L278 WeakPolarHBondContact O-CG 3.46Å; L274-L278 PolarHBondContact O-N 2.79Å
275G89.6Confident84.6Confident38 Ų3890.5 Ų90.539%0.39254%0.536SS..Hα-helixtrans-59.6-43175.100000112.8C271 T272 I273 L278 A279C271-G275 PolarHBondContact O-N 3.47Å; T272-G275 PolarHBondContact O-N 2.9Å; I273-G275 VanDerWaalsContact C-N 3.32Å; I273-G275 PolarHBondContact O-N 3.26Å; G275-L278 PolarHBondContact O-N 2.95Å; G275-A279 VanDerWaalsContact O-CB 3.28Å; G275-A279 WeakPolarHBondContact O-CB 3.42Å; G275-A279 PolarHBondContact O-N 3Å
276V89.6Confident83.7Confident93 Ų9392 Ų9256%0.56454%0.544SS*.Hα-helixtrans-65.9-42.4176.7172.30000111.8T272 I273 L274 A279 S280T272-V276 WeakPolarHBondContact O-CG2 3.37Å; T272-V276 PolarHBondContact O-N 2.99Å; I273-V276 PolarHBondContact O-N 3.44Å; L274-V276 PolarHBondContact O-N 3.33Å; V276-A279 PolarHBondContact O-N 3.08Å; V276-S280 WeakPolarHBondContact O-CB 3.16Å; V276-S280 PolarHBondContact O-N 3.41Å; V276-S280 PolarHBondContact O-OG 3Å
277V89.2Confident82.4Confident79 Ų7988.2 Ų88.248%0.47954%0.539SS..Hα-helixtrans-62.7-47.4176.8172.70000110.8I273 L274 S280 T281I273-V277 WeakPolarHBondContact O-CG2 3.49Å; I273-V277 PolarHBondContact O-N 3.4Å; L274-V277 PolarHBondContact O-N 3.45Å; V277-S280 PolarHBondContact O-N 3.43Å; V277-T281 WeakPolarHBondContact O-CG2 3.48Å; V277-T281 PolarHBondContact O-N 2.81Å; V277-T281 PolarHBondContact O-OG1 3.02Å
278L86.8Confident80.7Confident101 Ų10196.4 Ų96.453%0.52957%0.571SS.*Hα-helixtrans-63.7-41.3177.6-71172.2000112L274 G275 S280 T281 I282L274-L278 WeakPolarHBondContact O-CB 3.28Å; L274-L278 VanDerWaalsContact O-CG 3.3Å; L274-L278 WeakPolarHBondContact O-CG 3.46Å; L274-L278 PolarHBondContact O-N 2.79Å; G275-L278 PolarHBondContact O-N 2.95Å; L278-S280 VanDerWaalsContact C-N 3.29Å; L278-S280 PolarHBondContact O-N 3.5Å; L278-T281 WeakPolarHBondContact CA-OG1 3.24Å; L278-T281 PolarHBondContact O-N 2.91Å; L278-T281 PolarHBondContact O-OG1 3.25Å; L278-I282 VanDerWaalsContact O-CB 3.24Å; L278-I282 WeakPolarHBondContact O-CB 3.48Å; L278-I282 WeakPolarHBondContact O-CD1 3.42Å; L278-I282 WeakPolarHBondContact O-CG1 3.3Å; L278-I282 PolarHBondContact O-N 3.43Å
279A83.4Confident80.2Confident65 Ų6596.8 Ų96.854%0.53758%0.577SS.*Hα-helixtrans-63.5-36.3175.200000112G275 V276 G283G275-A279 VanDerWaalsContact O-CB 3.28Å; G275-A279 WeakPolarHBondContact O-CB 3.42Å; G275-A279 PolarHBondContact O-N 3Å; V276-A279 PolarHBondContact O-N 3.08Å; A279-G283 WeakPolarHBondContact O-CA 3.38Å; A279-G283 PolarHBondContact O-N 2.95Å
280S80.9Confident79.7Confident79 Ų7998.2 Ų98.255%0.55259%0.585SS**Hα-helixtrans-72.2-39.1178.6-56.40000112.1V276 V277 L278 G284V276-S280 WeakPolarHBondContact O-CB 3.16Å; V276-S280 PolarHBondContact O-N 3.41Å; V276-S280 PolarHBondContact O-OG 3Å; V277-S280 PolarHBondContact O-N 3.43Å; L278-S280 VanDerWaalsContact C-N 3.29Å; L278-S280 PolarHBondContact O-N 3.5Å; S280-G284 PolarHBondContact O-N 2.74Å
281T81.4Confident79.2Confident72 Ų72100 Ų10044%0.44259%0.593SS.*Hα-helixtrans-72.4-39.7176.655.30000111.9V277 L278 G284 Y285V277-T281 WeakPolarHBondContact O-CG2 3.48Å; V277-T281 PolarHBondContact O-N 2.81Å; V277-T281 PolarHBondContact O-OG1 3.02Å; L278-T281 WeakPolarHBondContact CA-OG1 3.24Å; L278-T281 PolarHBondContact O-N 2.91Å; L278-T281 PolarHBondContact O-OG1 3.25Å; T281-G284 PolarHBondContact O-N 3.22Å; T281-Y285 WeakPolarHBondContact O-CB 3.38Å; T281-Y285 PolarHBondContact O-N 2.91Å; T281-Y285 VanDerWaalsContact O-N 3.08Å
282I79.5Confident78.6Confident90 Ų90101.4 Ų101.446%0.46260%0.597SS.*Hα-helixtrans-69.5-42.1175.6-67.3169.3000110.4L278 G284 Y285 L286L278-I282 VanDerWaalsContact O-CB 3.24Å; L278-I282 WeakPolarHBondContact O-CB 3.48Å; L278-I282 WeakPolarHBondContact O-CD1 3.42Å; L278-I282 WeakPolarHBondContact O-CG1 3.3Å; L278-I282 PolarHBondContact O-N 3.43Å; I282-G284 VanDerWaalsContact C-N 3.29Å; I282-G284 PolarHBondContact O-N 2.93Å; I282-Y285 CarbonylContact O-C 3.58Å; I282-Y285 PolarHBondContact O-N 3.34Å; I282-L286 HydrophobicContact CG2-CB 4.44Å; I282-L286 HydrophobicContact CG2-CD1 3.73Å; I282-L286 WeakPolarHBondContact O-CB 3.44Å; I282-L286 PolarHBondContact O-N 2.97Å
283G73.1Confident77.9Confident49 Ų49102.8 Ų102.851%0.50560%0.604SS.*Hα-helixtrans-61.4-36.1173.600000112.8A279 Y285A279-G283 WeakPolarHBondContact O-CA 3.38Å; A279-G283 PolarHBondContact O-N 2.95Å; G283-Y285 VanDerWaalsContact C-N 3.31Å; G283-Y285 PolarHBondContact O-N 3.43Å
284G68.6Low77.1Confident68 Ų68102.7 Ų102.770%0.70161%0.609SS**Hα-helixtrans-70.2-22.5170.800000114.6S280 T281 I282S280-G284 PolarHBondContact O-N 2.74Å; T281-G284 PolarHBondContact O-N 3.22Å; I282-G284 VanDerWaalsContact C-N 3.29Å; I282-G284 PolarHBondContact O-N 2.93Å
285Y68.6Low76.1Confident213 Ų213102.2 Ų102.284%0.83561%0.611SS**Hα-helixtrans-99.3-32.8-176.9-106.2-89.6000114.7T281 I282 G283T281-Y285 WeakPolarHBondContact O-CB 3.38Å; T281-Y285 PolarHBondContact O-N 2.91Å; T281-Y285 VanDerWaalsContact O-N 3.08Å; I282-Y285 CarbonylContact O-C 3.58Å; I282-Y285 PolarHBondContact O-N 3.34Å; G283-Y285 VanDerWaalsContact C-N 3.31Å; G283-Y285 PolarHBondContact O-N 3.43Å
286L64.8Low75.1Confident148 Ų148107.2 Ų107.278%0.77563%0.628SS**Hα-helixtrans-106.33.7-168.9-96.7149.3000115.4I282I282-L286 HydrophobicContact CG2-CB 4.44Å; I282-L286 HydrophobicContact CG2-CD1 3.73Å; I282-L286 WeakPolarHBondContact O-CB 3.44Å; I282-L286 PolarHBondContact O-N 2.97Å
287G58.8Low73.8Confident53 Ų53108.3 Ų108.355%0.54663%0.634SS.*  trans111.3125.8154.900000115.9
288F51.1Low72.4Confident283 Ų283111 Ų111100%1.24165%0.648SS**  -176.20108.4-115.9-87.1000109.3

Retrieved 288 of 288 residues in 91.6 ms (Link to these results)