A0A3Q0KRV8_SCHMA Loading...

Anoctamin

AlphaFold DB , UniProt , Accession A0A3Q0KRV8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 684 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
1M38.4Very low70.7Confident105 Ų10537.1 Ų37.152%0.51722%0.221SC..  0119.60-69.2-172.117200109.7V67 Y96M1-V67 HydrophobicContact CE-CB 3.63Å; M1-V67 HydrophobicContact CE-CG1 3.44Å; M1-V67 VanDerWaalsContact CE-CG1 3.44Å; M1-V67 HydrophobicContact CE-CG2 4.09Å; M1-Y96 HydrophobicContact CE-CD1 4.35Å; M1-Y96 HydrophobicContact CE-CG 4.37Å; M1-Y96 HydrophobicContact CG-CD1 4.4Å; M1-Y96 HydrophobicContact SD-CD1 4.05Å; M1-Y96 HydrophobicContact SD-CD2 4.39Å; M1-Y96 HydrophobicContact SD-CG 3.86Å
2S43.2Very low72.1Confident65 Ų6534.3 Ų34.346%0.45520%0.204SC..  trans-56.4154.2172.460.90000111.3S4 Y96S2-S4 PolarHBondContact O-N 2.95Å; S2-Y96 PolarHBondContact O-OH 3.2Å; S2-Y96 VanDerWaalsContact O-OH 3.12Å; S2-Y96 PolarHBondContact OG-OH 2.8Å; S2-Y96 VanDerWaalsContact OG-OH 3.04Å
3T53.4Low73.1Confident84 Ų8433.1 Ų33.152%0.51520%0.198SC..SBendtrans-76.5-6.3-178.947.40000113.6M183T3-M183 HydrophobicContact CG2-CE 4.49Å
4S65.2Low73.5Confident62 Ų6240 Ų4043%0.43422%0.224SC..SBendtrans-105.165.8-170.258.60000112S2 K99S2-S4 PolarHBondContact O-N 2.95Å; S4-K99 WeakPolarHBondContact O-CB 3.39Å; S4-K99 PolarHBondContact O-N 2.99Å; S4-K99 VanDerWaalsContact O-N 3.11Å
5G71.7Confident73.8Confident13 Ų1343.7 Ų43.713%0.13425%0.254CS..EExtended strand (participates in β ladder)trans-159162.9175.600000112I97G5-I97 CarbonylContact C-O 3.44Å; G5-I97 VanDerWaalsContact CA-O 3.28Å; G5-I97 WeakPolarHBondContact CA-O 3.11Å
6V78.1Confident74.2Confident20 Ų2042.5 Ų42.512%0.12125%0.246CC..EExtended strand (participates in β ladder)trans-88.9138.9-178.7-171.50000109.3F8 I97 L102 A122 R178V6-F8 HydrophobicContact CB-CE2 4.18Å; V6-F8 HydrophobicContact CG1-CD2 4.2Å; V6-F8 HydrophobicContact CG1-CE2 3.42Å; V6-F8 VanDerWaalsContact CG1-CE2 3.42Å; V6-F8 HydrophobicContact CG1-CZ 3.66Å; V6-I97 PolarHBondContact N-O 2.9Å; V6-I97 PolarHBondContact O-N 3.44Å; V6-L102 HydrophobicContact CB-CD1 4.3Å; V6-L102 HydrophobicContact CG2-CD1 3.6Å; V6-A122 HydrophobicContact CB-CB 4.24Å; V6-A122 HydrophobicContact CG1-CB 4.29Å; V6-A122 HydrophobicContact CG2-CB 4.37Å; V6-R178 HydrophobicContact CG1-CG 4.39Å
7R81.8Confident74.6Confident43 Ų4348.3 Ų48.316%0.16227%0.268CS..EExtended strand (participates in β ladder)trans-119.6134.7-177.4-67.8169.8-160.5-1801.2110.5I95 Y96 S179R7-I95 CarbonylContact C-O 3.52Å; R7-I95 WeakPolarHBondContact CA-O 3.21Å; R7-Y96 HydrophobicContact CG-CD2 3.83Å; R7-S179 PolarHBondContact O-N 3.05Å
8F85.8Confident74.7Confident1 Ų147.2 Ų47.20%0.00426%0.26CS..EExtended strand (participates in β ladder)trans-125.2153.3171.5-58.6-93.3000110.3V6 I95 I97 A122 E123 I126 F176 T177 R178V6-F8 HydrophobicContact CB-CE2 4.18Å; V6-F8 HydrophobicContact CG1-CD2 4.2Å; V6-F8 HydrophobicContact CG1-CE2 3.42Å; V6-F8 VanDerWaalsContact CG1-CE2 3.42Å; V6-F8 HydrophobicContact CG1-CZ 3.66Å; F8-I95 HydrophobicContact CB-CB 4.16Å; F8-I95 PolarHBondContact N-O 3.33Å; F8-I95 PolarHBondContact O-N 3.27Å; F8-I97 HydrophobicContact CE2-CD1 4.44Å; F8-A122 HydrophobicContact CE2-CB 3.76Å; F8-A122 HydrophobicContact CZ-CB 3.96Å; F8-E123 HydrophobicContact CE1-CB 3.92Å; F8-E123 HydrophobicContact CZ-CB 3.89Å; F8-I126 HydrophobicContact CB-CD1 4.27Å; F8-I126 HydrophobicContact CD1-CD1 4.42Å; F8-I126 HydrophobicContact CD2-CD1 3.25Å; F8-I126 HydrophobicContact CE2-CD1 3.53Å; F8-I126 HydrophobicContact CG-CD1 3.74Å; F8-I126 HydrophobicContact CZ-CD1 4.24Å; F8-F176 HydrophobicContact CB-CD2 4.34Å; F8-F176 HydrophobicContact CB-CE2 3.47Å; F8-F176 VanDerWaalsContact CB-CE2 3.47Å; F8-F176 HydrophobicContact CB-CZ 3.8Å; F8-F176 AromaticContact CD1-CE1 3.73Å; F8-F176 HydrophobicContact CD1-CE1 3.73Å; F8-F176 AromaticContact CD1-CE2 3.81Å; F8-F176 HydrophobicContact CD1-CE2 3.81Å; F8-F176 AromaticContact CD1-CZ 3.21Å; F8-F176 HydrophobicContact CD1-CZ 3.21Å; F8-F176 HydrophobicContact CD2-CZ 4.37Å; F8-F176 HydrophobicContact CE1-CE1 4.06Å; F8-F176 AromaticContact CE1-CZ 3.79Å; F8-F176 HydrophobicContact CE1-CZ 3.79Å; F8-F176 HydrophobicContact CG-CE1 4.48Å; F8-F176 AromaticContact CG-CE2 3.79Å; F8-F176 HydrophobicContact CG-CE2 3.79Å; F8-F176 AromaticContact CG-CZ 3.55Å; F8-F176 HydrophobicContact CG-CZ 3.55Å; F8-T177 CarbonylContact C-O 2.99Å; F8-T177 VanDerWaalsContact CA-O 3.3Å; F8-T177 WeakPolarHBondContact CA-O 3.25Å; F8-R178 HydrophobicContact CD1-CB 4.02Å; F8-R178 HydrophobicContact CD1-CG 4.2Å; F8-R178 HydrophobicContact CE1-CB 3.99Å; F8-R178 HydrophobicContact CE1-CG 3.95Å; F8-R178 HydrophobicContact CZ-CG 4.45Å
9C85.5Confident74.8Confident3 Ų351.4 Ų51.42%0.0229%0.29CS..EExtended strand (participates in β ladder)trans-123.4126.5179.3-172.70000108.3F92 F176 T177C9-F92 WeakPolarHBondContact SG-CB 3.33Å; C9-F92 WeakPolarHBondContact SG-CD2 3.4Å; C9-F92 VanDerWaalsContact SG-CG 3.52Å; C9-F176 WeakPolarHBondContact O-CA 3.41Å; C9-T177 PolarHBondContact N-O 3.28Å; C9-T177 PolarHBondContact O-N 3.23Å
10L87.8Confident74.7Confident1 Ų156.3 Ų56.31%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-106.1108.5173.4-16272.1000108.6L38 F92 V93 L164 I173 N175 F176L10-L38 HydrophobicContact CD2-CD1 4.13Å; L10-F92 CarbonylContact O-C 3.52Å; L10-F92 WeakPolarHBondContact O-CA 3.31Å; L10-F92 VanDerWaalsContact O-CB 3.3Å; L10-F92 WeakPolarHBondContact O-CB 3.46Å; L10-V93 HydrophobicContact CB-CB 4.04Å; L10-V93 PolarHBondContact N-O 3.48Å; L10-V93 PolarHBondContact O-N 3.38Å; L10-L164 HydrophobicContact CD1-CD2 3.78Å; L10-I173 HydrophobicContact CD1-CB 4.48Å; L10-I173 HydrophobicContact CD1-CD1 3.88Å; L10-I173 HydrophobicContact CD1-CG1 4.13Å; L10-I173 HydrophobicContact CD1-CG2 3.53Å; L10-I173 HydrophobicContact CD2-CD1 3.66Å; L10-I173 HydrophobicContact CD2-CG1 3.74Å; L10-I173 HydrophobicContact CG-CB 4.5Å; L10-I173 HydrophobicContact CG-CD1 4.01Å; L10-I173 HydrophobicContact CG-CG1 3.87Å; L10-I173 HydrophobicContact CG-CG2 3.85Å; L10-N175 WeakPolarHBondContact CA-O 3.41Å; L10-F176 HydrophobicContact CD1-CB 4.04Å; L10-F176 HydrophobicContact CD1-CD2 3.85Å; L10-F176 HydrophobicContact CD1-CG 4.42Å
11T87.3Confident74.6Confident11 Ų1157 Ų577%0.06731%0.309CS..EExtended strand (participates in β ladder)trans-90.1141.5-17861.70000111.2F92 S174 N175 L530T11-F92 HydrophobicContact CG2-CB 4.4Å; T11-S174 PolarHBondContact O-N 2.77Å; T11-S174 PolarHBondContact O-OG 3.45Å; T11-S174 VanDerWaalsContact O-OG 3.05Å; T11-S174 PolarHBondContact OG1-OG 3.32Å; T11-N175 PolarHBondContact N-O 2.82Å; T11-N175 WeakPolarHBondContact OG1-CB 3.49Å; T11-N175 PolarHBondContact OG1-N 2.72Å; T11-N175 VanDerWaalsContact OG1-N 3.13Å; T11-N175 PolarHBondContact OG1-O 3.13Å; T11-L530 HydrophobicContact CG2-CD2 3.5Å; T11-L530 VanDerWaalsContact CG2-CD2 3.5Å
12V87.1Confident76.5Confident3 Ų355.1 Ų55.12%0.01831%0.306CS..PPolyproline II helixtrans-93.1136.5175.1175.50000109.2L16 Q27 V30 V31 L34 H91V12-L16 HydrophobicContact CG1-CD1 3.35Å; V12-Q27 HydrophobicContact CG1-CG 4.32Å; V12-V30 HydrophobicContact CG1-CG1 4.09Å; V12-V30 HydrophobicContact CG2-CG1 4.14Å; V12-V31 HydrophobicContact CB-CG2 4.33Å; V12-V31 HydrophobicContact CG2-CG2 3.51Å; V12-L34 HydrophobicContact CG2-CD1 4.26Å; V12-H91 PolarHBondContact N-O 2.92Å
13P84.8Confident78.1Confident19 Ų1955 Ų5512%0.12330%0.3CS..PPolyproline II helixtrans-64.5138.31809.9-13.3000112.1S15 L16 G171 L172P13-S15 PolarHBondContact O-N 3.34Å; P13-L16 HydrophobicContact CG-CD1 3.6Å; P13-L16 HydrophobicContact CG-CG 3.89Å; P13-L16 PolarHBondContact O-N 3.07Å; P13-G171 WeakPolarHBondContact CG-O 3.43Å; P13-L172 WeakPolarHBondContact CD-O 3.29Å
14K78.9Confident79.2Confident130 Ų13054.9 Ų54.957%0.56530%0.296SS*.THydrogen-bonded Turntrans-67.2-18174.6-63.2-172.6-179.8-167.40113.3L16 S89 T90K14-L16 PolarHBondContact O-N 3.04Å; K14-S89 WeakPolarHBondContact CE-O 3.44Å; K14-S89 PolarHBondContact NZ-O 3.36Å; K14-T90 HydrophobicContact CG-CG2 4.48Å
15S78.2Confident79.8Confident96 Ų9653.5 Ų53.567%0.67128%0.284SS*.THydrogen-bonded Turntrans-75.9-10.9177.852.50000113.2P13 K17P13-S15 PolarHBondContact O-N 3.34Å; S15-K17 PolarHBondContact O-N 3.32Å
16L80.2Confident80.3Confident24 Ų2453 Ų5313%0.12628%0.278CS..  trans-69116.3176.3-78.4164.5000110.3V12 P13 K14 Y26 Q27V12-L16 HydrophobicContact CG1-CD1 3.35Å; P13-L16 HydrophobicContact CG-CD1 3.6Å; P13-L16 HydrophobicContact CG-CG 3.89Å; P13-L16 PolarHBondContact O-N 3.07Å; K14-L16 PolarHBondContact O-N 3.04Å; L16-Y26 HydrophobicContact CB-CD1 4.39Å; L16-Y26 HydrophobicContact CB-CE1 4.42Å; L16-Y26 HydrophobicContact CD2-CE1 4.46Å; L16-Q27 PolarHBondContact O-NE2 3.22Å
17K80.3Confident80.6Confident141 Ų14152.6 Ų52.661%0.61328%0.275SS*.  trans-130.5145.3179-61.9-171.2176.5-168.90109S15 D23S15-K17 PolarHBondContact O-N 3.32Å; K17-D23 WeakPolarHBondContact CE-OD2 3.44Å; K17-D23 IonicContact NZ-OD2 2.7Å
18H77.4Confident80.6Confident28 Ų2851 Ų5113%0.1327%0.269CS..  trans-128.6139.4174.9-166.9-87.1000109E20 Y21 Y26H18-E20 VanDerWaalsContact C-N 3.29Å; H18-E20 IonicContact CE1-OE2 2.68Å; H18-E20 PolarHBondContact ND1-N 3.17Å; H18-E20 VanDerWaalsContact ND1-N 3.16Å; H18-E20 PolarHBondContact O-N 3.01Å; H18-Y21 HydrophobicContact CB-CD2 4.32Å; H18-Y21 AromaticContact CE1-CD2 3.95Å; H18-Y21 AromaticContact CE1-CE2 3.98Å; H18-Y21 AromaticContact CG-CD2 3.9Å; H18-Y21 AromaticContact ND1-CD2 3.38Å; H18-Y21 WeakPolarHBondContact ND1-CD2 3.46Å; H18-Y21 AromaticContact ND1-CE2 3.88Å; H18-Y26 HydrophobicContact CB-CD1 3.88Å; H18-Y26 HydrophobicContact CB-CD2 3.43Å; H18-Y26 VanDerWaalsContact CB-CD2 3.43Å; H18-Y26 HydrophobicContact CB-CE1 4.14Å; H18-Y26 HydrophobicContact CB-CE2 3.72Å; H18-Y26 HydrophobicContact CB-CG 3.5Å; H18-Y26 AromaticContact CD2-CE2 3.48Å; H18-Y26 VanDerWaalsContact CD2-CE2 3.48Å; H18-Y26 WeakPolarHBondContact CD2-CE2 3.48Å; H18-Y26 AromaticContact CD2-CZ 3.84Å; H18-Y26 AromaticContact CG-CD2 3.78Å; H18-Y26 AromaticContact CG-CE2 3.73Å
19P75.4Confident80.4Confident127 Ų12754.2 Ų54.283%0.82528%0.281SS*.SBendtrans-64-32.6-177.923-33.3000113.5
20E73.5Confident80.5Confident149 Ų14954 Ų5470%0.69628%0.28SS*.SBendtrans-89.2-21-174.5-57.9177.9167.500114.8H18H18-E20 VanDerWaalsContact C-N 3.29Å; H18-E20 IonicContact CE1-OE2 2.68Å; H18-E20 PolarHBondContact ND1-N 3.17Å; H18-E20 VanDerWaalsContact ND1-N 3.16Å; H18-E20 PolarHBondContact O-N 3.01Å
21Y73.2Confident80.5Confident73 Ų7354 Ų5429%0.28628%0.28SS..SBendtrans-119148.9-174.3-61.9-77000109.6H18 I25 Y26 R29H18-Y21 HydrophobicContact CB-CD2 4.32Å; H18-Y21 AromaticContact CE1-CD2 3.95Å; H18-Y21 AromaticContact CE1-CE2 3.98Å; H18-Y21 AromaticContact CG-CD2 3.9Å; H18-Y21 AromaticContact ND1-CD2 3.38Å; H18-Y21 WeakPolarHBondContact ND1-CD2 3.46Å; H18-Y21 AromaticContact ND1-CE2 3.88Å; Y21-I25 HydrophobicContact CD1-CG2 3.87Å; Y21-I25 HydrophobicContact CG-CG2 4.35Å; Y21-Y26 HydrophobicContact CD2-CD2 4.04Å; Y21-R29 PolarHBondContact OH-NH1 3.28Å
22S76.8Confident80.4Confident64 Ų6455.3 Ų55.345%0.44829%0.285SS..  trans-63.2149.516876.80000110.5N24 I25 Y26S22-N24 VanDerWaalsContact C-N 3.25Å; S22-N24 PolarHBondContact O-N 3.43Å; S22-N24 VanDerWaalsContact O-N 3.15Å; S22-I25 WeakPolarHBondContact O-CB 3.25Å; S22-I25 PolarHBondContact O-N 3.16Å; S22-I25 WeakPolarHBondContact OG-CB 3.34Å; S22-I25 WeakPolarHBondContact OG-CD1 3.48Å; S22-I25 WeakPolarHBondContact OG-CG1 3.47Å; S22-Y26 PolarHBondContact O-N 3.12Å
23D77.3Confident80.4Confident64 Ų6458.4 Ų58.434%0.34230%0.296SS..Hα-helixtrans-49.6-45.1-175.1-67.9-2000112.3K17 Q27K17-D23 WeakPolarHBondContact CE-OD2 3.44Å; K17-D23 IonicContact NZ-OD2 2.7Å; D23-Q27 WeakPolarHBondContact O-CG 3.48Å; D23-Q27 PolarHBondContact O-N 3.3Å; D23-Q27 VanDerWaalsContact O-N 3.15Å; D23-Q27 PolarHBondContact O-NE2 2.87Å
24N76.1Confident80.6Confident81 Ų8157.5 Ų57.543%0.43329%0.291SS..Hα-helixtrans-67.4-41178.5-72.1-14.7000112.6S22 Q27 I28S22-N24 VanDerWaalsContact C-N 3.25Å; S22-N24 PolarHBondContact O-N 3.43Å; S22-N24 VanDerWaalsContact O-N 3.15Å; N24-Q27 PolarHBondContact O-N 3.26Å; N24-I28 VanDerWaalsContact O-CG1 3.29Å; N24-I28 WeakPolarHBondContact O-CG1 3.49Å; N24-I28 PolarHBondContact O-N 2.78Å
25I78Confident81Confident32 Ų3251.7 Ų51.716%0.16427%0.267CS..Hα-helixtrans-64-46-179.6-69.4173.1000110.2Y21 S22 Q27 I28 R29 F83Y21-I25 HydrophobicContact CD1-CG2 3.87Å; Y21-I25 HydrophobicContact CG-CG2 4.35Å; S22-I25 WeakPolarHBondContact O-CB 3.25Å; S22-I25 PolarHBondContact O-N 3.16Å; S22-I25 WeakPolarHBondContact OG-CB 3.34Å; S22-I25 WeakPolarHBondContact OG-CD1 3.48Å; S22-I25 WeakPolarHBondContact OG-CG1 3.47Å; I25-Q27 VanDerWaalsContact C-N 3.32Å; I25-Q27 PolarHBondContact O-N 3.38Å; I25-I28 PolarHBondContact O-N 3.26Å; I25-R29 PolarHBondContact O-N 2.85Å; I25-F83 HydrophobicContact CB-CD2 4.11Å; I25-F83 HydrophobicContact CB-CE2 4.45Å; I25-F83 HydrophobicContact CB-CG 4.25Å; I25-F83 HydrophobicContact CD1-CB 4.16Å; I25-F83 HydrophobicContact CD1-CD2 3.55Å; I25-F83 HydrophobicContact CD1-CE2 4.29Å; I25-F83 HydrophobicContact CD1-CG 4.13Å; I25-F83 HydrophobicContact CG1-CB 3.68Å; I25-F83 HydrophobicContact CG1-CD2 3.6Å; I25-F83 HydrophobicContact CG1-CE2 4.38Å; I25-F83 HydrophobicContact CG1-CG 3.7Å; I25-F83 HydrophobicContact CG2-CD1 4.05Å; I25-F83 HydrophobicContact CG2-CD2 3.4Å; I25-F83 HydrophobicContact CG2-CE1 3.96Å; I25-F83 HydrophobicContact CG2-CE2 3.3Å; I25-F83 HydrophobicContact CG2-CG 3.79Å; I25-F83 HydrophobicContact CG2-CZ 3.6Å
26Y82.6Confident81.3Confident4 Ų450.5 Ų50.52%0.01625%0.251CS..Hα-helixtrans-61.3-44.1178.9-172-115000111.3L16 H18 Y21 S22 I28 R29 V30 L143L16-Y26 HydrophobicContact CB-CD1 4.39Å; L16-Y26 HydrophobicContact CB-CE1 4.42Å; L16-Y26 HydrophobicContact CD2-CE1 4.46Å; H18-Y26 HydrophobicContact CB-CD1 3.88Å; H18-Y26 HydrophobicContact CB-CD2 3.43Å; H18-Y26 VanDerWaalsContact CB-CD2 3.43Å; H18-Y26 HydrophobicContact CB-CE1 4.14Å; H18-Y26 HydrophobicContact CB-CE2 3.72Å; H18-Y26 HydrophobicContact CB-CG 3.5Å; H18-Y26 AromaticContact CD2-CE2 3.48Å; H18-Y26 VanDerWaalsContact CD2-CE2 3.48Å; H18-Y26 WeakPolarHBondContact CD2-CE2 3.48Å; H18-Y26 AromaticContact CD2-CZ 3.84Å; H18-Y26 AromaticContact CG-CD2 3.78Å; H18-Y26 AromaticContact CG-CE2 3.73Å; Y21-Y26 HydrophobicContact CD2-CD2 4.04Å; S22-Y26 PolarHBondContact O-N 3.12Å; Y26-I28 VanDerWaalsContact C-N 3.34Å; Y26-I28 PolarHBondContact O-N 3.47Å; Y26-R29 WeakPolarHBondContact O-CB 3.28Å; Y26-R29 PolarHBondContact O-N 2.87Å; Y26-V30 HydrophobicContact CD1-CG2 4.11Å; Y26-V30 HydrophobicContact CE1-CG2 3.81Å; Y26-V30 HydrophobicContact CE2-CG2 4.4Å; Y26-V30 VanDerWaalsContact O-CG2 3.31Å; Y26-V30 WeakPolarHBondContact O-CG2 3.44Å; Y26-V30 PolarHBondContact O-N 3.5Å; Y26-L143 WeakPolarHBondContact CE2-O 3.23Å; Y26-L143 PolarHBondContact OH-O 3.46Å
27Q83.6Confident81.6Confident11 Ų1150 Ų505%0.05125%0.249CC..Hα-helixtrans-61.5-40.3177.4-71.1170.633.200112.2V12 L16 D23 N24 I25 V30 V31 H91V12-Q27 HydrophobicContact CG1-CG 4.32Å; L16-Q27 PolarHBondContact O-NE2 3.22Å; D23-Q27 WeakPolarHBondContact O-CG 3.48Å; D23-Q27 PolarHBondContact O-N 3.3Å; D23-Q27 VanDerWaalsContact O-N 3.15Å; D23-Q27 PolarHBondContact O-NE2 2.87Å; N24-Q27 PolarHBondContact O-N 3.26Å; I25-Q27 VanDerWaalsContact C-N 3.32Å; I25-Q27 PolarHBondContact O-N 3.38Å; Q27-V30 PolarHBondContact O-N 2.77Å; Q27-V31 VanDerWaalsContact O-CG2 3.25Å; Q27-V31 WeakPolarHBondContact O-CG2 3.34Å; Q27-V31 PolarHBondContact O-N 3.18Å; Q27-H91 HydrophobicContact CB-CB 4.49Å; Q27-H91 PolarHBondContact OE1-CD2 3.46Å; Q27-H91 VanDerWaalsContact OE1-CD2 3.26Å
28I81.9Confident81.8Confident9 Ų943.5 Ų43.55%0.04622%0.221CC..Hα-helixtrans-60.7-46.4174-67.4166000110.9N24 I25 Y26 V30 V31 H32 C72 I74 H91N24-I28 VanDerWaalsContact O-CG1 3.29Å; N24-I28 WeakPolarHBondContact O-CG1 3.49Å; N24-I28 PolarHBondContact O-N 2.78Å; I25-I28 PolarHBondContact O-N 3.26Å; Y26-I28 VanDerWaalsContact C-N 3.34Å; Y26-I28 PolarHBondContact O-N 3.47Å; I28-V30 PolarHBondContact O-N 3.38Å; I28-V31 PolarHBondContact O-N 3.12Å; I28-H32 PolarHBondContact O-N 2.7Å; I28-C72 HydrophobicContact CG1-CB 4.22Å; I28-C72 HydrophobicContact CG2-CB 4.02Å; I28-I74 HydrophobicContact CG2-CG1 4.06Å; I28-H91 WeakPolarHBondContact CG1-CE1 2.9Å; I28-H91 WeakPolarHBondContact CG1-ND1 3.35Å
29R83.3Confident82.1Confident68 Ų6848 Ų4826%0.25724%0.24SC..Hα-helixtrans-61-44178.7-175.7176.6177.2155.4-1.7111.8Y21 I25 Y26 H32 R33 D142 L143Y21-R29 PolarHBondContact OH-NH1 3.28Å; I25-R29 PolarHBondContact O-N 2.85Å; Y26-R29 WeakPolarHBondContact O-CB 3.28Å; Y26-R29 PolarHBondContact O-N 2.87Å; R29-H32 PolarHBondContact O-N 3.12Å; R29-R33 PolarHBondContact O-N 2.89Å; R29-R33 VanDerWaalsContact O-N 3.07Å; R29-D142 VanDerWaalsContact CZ-O 3.3Å; R29-D142 PolarHBondContact NE-O 3.31Å; R29-D142 VanDerWaalsContact NE-O 3.13Å; R29-D142 PolarHBondContact NH2-O 3.26Å; R29-L143 HydrophobicContact CG-CD2 4.25Å
30V87.3Confident82.3Confident0 Ų044.9 Ų44.90%022%0.219CC..Hα-helixtrans-56.9-50.2175170.70000110.7V12 Y26 Q27 I28 H32 R33 L34 L143 L172V12-V30 HydrophobicContact CG1-CG1 4.09Å; V12-V30 HydrophobicContact CG2-CG1 4.14Å; Y26-V30 HydrophobicContact CD1-CG2 4.11Å; Y26-V30 HydrophobicContact CE1-CG2 3.81Å; Y26-V30 HydrophobicContact CE2-CG2 4.4Å; Y26-V30 VanDerWaalsContact O-CG2 3.31Å; Y26-V30 WeakPolarHBondContact O-CG2 3.44Å; Y26-V30 PolarHBondContact O-N 3.5Å; Q27-V30 PolarHBondContact O-N 2.77Å; I28-V30 PolarHBondContact O-N 3.38Å; V30-H32 VanDerWaalsContact C-N 3.33Å; V30-H32 PolarHBondContact O-N 3.36Å; V30-R33 PolarHBondContact O-N 3.08Å; V30-L34 HydrophobicContact CG1-CD1 3.66Å; V30-L34 HydrophobicContact CG1-CG 4.17Å; V30-L34 WeakPolarHBondContact O-CB 3.14Å; V30-L34 WeakPolarHBondContact O-CG 3.38Å; V30-L34 PolarHBondContact O-N 3.47Å; V30-L143 HydrophobicContact CB-CD2 4.37Å; V30-L143 HydrophobicContact CG2-CD1 4.28Å; V30-L143 HydrophobicContact CG2-CD2 3.88Å; V30-L172 HydrophobicContact CG1-CD2 3.95Å; V30-L172 HydrophobicContact CG2-CD2 4.42Å
31V87.1Confident82.4Confident1 Ų137.9 Ų37.91%0.00619%0.186CC..Hα-helixtrans-58.8-43.8180170.80000112V12 Q27 I28 A35 H91 F92 V93V12-V31 HydrophobicContact CB-CG2 4.33Å; V12-V31 HydrophobicContact CG2-CG2 3.51Å; Q27-V31 VanDerWaalsContact O-CG2 3.25Å; Q27-V31 WeakPolarHBondContact O-CG2 3.34Å; Q27-V31 PolarHBondContact O-N 3.18Å; I28-V31 PolarHBondContact O-N 3.12Å; V31-A35 WeakPolarHBondContact O-CB 3.4Å; V31-A35 PolarHBondContact O-N 3.27Å; V31-H91 HydrophobicContact CG2-CB 3.75Å; V31-F92 WeakPolarHBondContact CG1-O 3.44Å; V31-V93 HydrophobicContact CB-CG2 4.4Å; V31-V93 HydrophobicContact CG1-CG2 3.77Å; V31-V93 WeakPolarHBondContact O-CG2 3.42Å
32H85.7Confident82.2Confident37 Ų3735.9 Ų35.917%0.17118%0.18CC..Hα-helixtrans-64.6-50-179.2-168.1-91.4000111.8I28 R29 V30 L34 A35 E36 I74I28-H32 PolarHBondContact O-N 2.7Å; R29-H32 PolarHBondContact O-N 3.12Å; V30-H32 VanDerWaalsContact C-N 3.33Å; V30-H32 PolarHBondContact O-N 3.36Å; H32-L34 VanDerWaalsContact C-N 3.32Å; H32-L34 PolarHBondContact O-N 3.44Å; H32-A35 WeakPolarHBondContact O-CB 2.9Å; H32-A35 PolarHBondContact O-N 2.84Å; H32-A35 VanDerWaalsContact O-N 3.14Å; H32-E36 VanDerWaalsContact CE1-CD 3.47Å; H32-E36 IonicContact CE1-OE1 3.77Å; H32-E36 PolarHBondContact CE1-OE1 3.32Å; H32-E36 IonicContact CE1-OE2 3.49Å; H32-E36 IonicContact ND1-OE1 2.67Å; H32-E36 PolarHBondContact ND1-OE1 3.29Å; H32-E36 IonicContact ND1-OE2 2.91Å; H32-E36 WeakPolarHBondContact O-CG 2.82Å; H32-E36 PolarHBondContact O-N 3.11Å; H32-I74 HydrophobicContact CB-CD1 3.47Å; H32-I74 VanDerWaalsContact CB-CD1 3.47Å; H32-I74 HydrophobicContact CB-CG1 4.31Å; H32-I74 VanDerWaalsContact CG-CD1 3.43Å
33R87.6Confident81.3Confident68 Ų6838.7 Ų38.726%0.25719%0.188SC..Hα-helixtrans-64.7-35.6179.1-67-61.8-177.3-1510.5112.6R29 V30 E36 C37 L139 D142 L143R29-R33 PolarHBondContact O-N 2.89Å; R29-R33 VanDerWaalsContact O-N 3.07Å; V30-R33 PolarHBondContact O-N 3.08Å; R33-E36 WeakPolarHBondContact CD-OE2 3.22Å; R33-E36 IonicContact CZ-OE2 2.71Å; R33-E36 IonicContact NE-OE2 3.73Å; R33-E36 IonicContact NH1-OE1 2.74Å; R33-E36 IonicContact NH1-OE2 2.73Å; R33-E36 PolarHBondContact NH1-OE2 2.77Å; R33-E36 PolarHBondContact O-N 3.46Å; R33-C37 WeakPolarHBondContact O-CB 2.66Å; R33-C37 PolarHBondContact O-N 3.18Å; R33-L139 HydrophobicContact CB-CD1 3.84Å; R33-D142 HydrophobicContact CG-CB 4.43Å; R33-L143 HydrophobicContact CB-CD2 4.09Å; R33-L143 HydrophobicContact CG-CD2 4.07Å
34L88.6Confident80.4Confident1 Ų141.2 Ų41.21%0.00520%0.197CC..Hα-helixtrans-62.7-44.7172-74.5175.7000111.9V12 V30 H32 E36 C37 L38 V93 L139 L167 L172V12-L34 HydrophobicContact CG2-CD1 4.26Å; V30-L34 HydrophobicContact CG1-CD1 3.66Å; V30-L34 HydrophobicContact CG1-CG 4.17Å; V30-L34 WeakPolarHBondContact O-CB 3.14Å; V30-L34 WeakPolarHBondContact O-CG 3.38Å; V30-L34 PolarHBondContact O-N 3.47Å; H32-L34 VanDerWaalsContact C-N 3.32Å; H32-L34 PolarHBondContact O-N 3.44Å; L34-E36 PolarHBondContact O-N 3.36Å; L34-C37 PolarHBondContact O-N 3.03Å; L34-L38 WeakPolarHBondContact O-CB 3.38Å; L34-L38 VanDerWaalsContact O-CG 3.26Å; L34-L38 WeakPolarHBondContact O-CG 3.26Å; L34-L38 PolarHBondContact O-N 3.37Å; L34-V93 HydrophobicContact CB-CG2 4.05Å; L34-L139 HydrophobicContact CD2-CD1 4.45Å; L34-L139 HydrophobicContact CD2-CD2 4.05Å; L34-L167 HydrophobicContact CD2-CD1 4.1Å; L34-L167 HydrophobicContact CD2-CD2 3.68Å; L34-L167 HydrophobicContact CD2-CG 4.46Å; L34-L172 HydrophobicContact CD1-CB 4.42Å; L34-L172 HydrophobicContact CD2-CB 4.44Å; L34-L172 HydrophobicContact CD2-CD1 4.21Å
35A86.3Confident79.5Confident7 Ų739.6 Ų39.66%0.05819%0.189CC..Hα-helixtrans-62.2-43.1178.400000111.7V31 H32 K39 F68 V93V31-A35 WeakPolarHBondContact O-CB 3.4Å; V31-A35 PolarHBondContact O-N 3.27Å; H32-A35 WeakPolarHBondContact O-CB 2.9Å; H32-A35 PolarHBondContact O-N 2.84Å; H32-A35 VanDerWaalsContact O-N 3.14Å; A35-K39 VanDerWaalsContact O-CB 3.28Å; A35-K39 WeakPolarHBondContact O-CB 2.86Å; A35-K39 PolarHBondContact O-N 2.88Å; A35-F68 HydrophobicContact CB-CB 4.44Å; A35-V93 HydrophobicContact CB-CG1 3.89Å; A35-V93 HydrophobicContact CB-CG2 4.38Å
36E85.9Confident78Confident72 Ų7248 Ų4834%0.33622%0.219SC..Hα-helixtrans-63.7-47.6175.7-70.3178.614800112.2H32 R33 L34 L38 K39 T40H32-E36 VanDerWaalsContact CE1-CD 3.47Å; H32-E36 IonicContact CE1-OE1 3.77Å; H32-E36 PolarHBondContact CE1-OE1 3.32Å; H32-E36 IonicContact CE1-OE2 3.49Å; H32-E36 IonicContact ND1-OE1 2.67Å; H32-E36 PolarHBondContact ND1-OE1 3.29Å; H32-E36 IonicContact ND1-OE2 2.91Å; H32-E36 WeakPolarHBondContact O-CG 2.82Å; H32-E36 PolarHBondContact O-N 3.11Å; R33-E36 WeakPolarHBondContact CD-OE2 3.22Å; R33-E36 IonicContact CZ-OE2 2.71Å; R33-E36 IonicContact NE-OE2 3.73Å; R33-E36 IonicContact NH1-OE1 2.74Å; R33-E36 IonicContact NH1-OE2 2.73Å; R33-E36 PolarHBondContact NH1-OE2 2.77Å; R33-E36 PolarHBondContact O-N 3.46Å; L34-E36 PolarHBondContact O-N 3.36Å; E36-L38 PolarHBondContact O-N 2.99Å; E36-K39 WeakPolarHBondContact O-CB 3.18Å; E36-K39 PolarHBondContact O-N 3.04Å; E36-T40 WeakPolarHBondContact O-CG2 3.43Å; E36-T40 PolarHBondContact O-N 3.35Å; E36-T40 PolarHBondContact O-OG1 3.44Å
37C86.1Confident76.3Confident13 Ų1354.5 Ų54.59%0.08825%0.253CS..Hα-helixtrans-62.7-41.3-179.6-176.80000112.5R33 L34 T40 S41 L139R33-C37 WeakPolarHBondContact O-CB 2.66Å; R33-C37 PolarHBondContact O-N 3.18Å; L34-C37 PolarHBondContact O-N 3.03Å; C37-T40 PolarHBondContact O-OG1 3.49Å; C37-S41 WeakPolarHBondContact O-CB 3.32Å; C37-S41 PolarHBondContact O-N 3.01Å; C37-S41 VanDerWaalsContact O-N 3.12Å; C37-L139 HydrophobicContact CB-CD1 4.4Å
38L85Confident74.5Confident4 Ų455.6 Ų55.62%0.02126%0.258CS..Hα-helixtrans-68.6-36.6175.7-69171.5000112L10 L34 E36 I42 F68 L129 L167L10-L38 HydrophobicContact CD2-CD1 4.13Å; L34-L38 WeakPolarHBondContact O-CB 3.38Å; L34-L38 VanDerWaalsContact O-CG 3.26Å; L34-L38 WeakPolarHBondContact O-CG 3.26Å; L34-L38 PolarHBondContact O-N 3.37Å; E36-L38 PolarHBondContact O-N 2.99Å; L38-I42 PolarHBondContact O-N 3.17Å; L38-F68 HydrophobicContact CB-CD1 3.52Å; L38-F68 HydrophobicContact CB-CE1 3.78Å; L38-F68 HydrophobicContact CB-CG 4.14Å; L38-F68 HydrophobicContact CD1-CD1 4Å; L38-F68 HydrophobicContact CD1-CE1 4.22Å; L38-F68 HydrophobicContact CG-CD1 4.41Å; L38-L129 HydrophobicContact CD2-CD2 3.5Å; L38-L167 HydrophobicContact CD2-CD1 4.34Å
39K82.7Confident72.7Confident123 Ų12357.2 Ų57.254%0.53527%0.27SS..Hα-helixtrans-63.5-46176.5-175.7-177.1177.4-174.80111.5A35 E36 I42 F68A35-K39 VanDerWaalsContact O-CB 3.28Å; A35-K39 WeakPolarHBondContact O-CB 2.86Å; A35-K39 PolarHBondContact O-N 2.88Å; E36-K39 WeakPolarHBondContact O-CB 3.18Å; E36-K39 PolarHBondContact O-N 3.04Å; K39-I42 PolarHBondContact O-N 2.87Å; K39-F68 HydrophobicContact CB-CB 4.39Å; K39-F68 HydrophobicContact CB-CD2 4.4Å
40T78.8Confident70.8Confident62 Ų6259 Ų5938%0.3829%0.289SS..Hα-helixtrans-66.8-38.9179.1540000112.1E36 C37 I42 M43 E44E36-T40 WeakPolarHBondContact O-CG2 3.43Å; E36-T40 PolarHBondContact O-N 3.35Å; E36-T40 PolarHBondContact O-OG1 3.44Å; C37-T40 PolarHBondContact O-OG1 3.49Å; T40-I42 VanDerWaalsContact C-N 3.29Å; T40-I42 PolarHBondContact O-N 3.06Å; T40-M43 PolarHBondContact O-N 3.46Å; T40-M43 VanDerWaalsContact O-N 3.08Å; T40-E44 PolarHBondContact O-N 2.98Å
41S75.5Confident69Low1 Ų161.2 Ų61.21%0.00730%0.298CS..Hα-helixtrans-59.1-35.4178.1177.30000113.8C37 E44 N45 L129 V130C37-S41 WeakPolarHBondContact O-CB 3.32Å; C37-S41 PolarHBondContact O-N 3.01Å; C37-S41 VanDerWaalsContact O-N 3.12Å; S41-E44 PolarHBondContact O-N 3.04Å; S41-N45 WeakPolarHBondContact O-CB 3.49Å; S41-N45 PolarHBondContact O-N 3.18Å; S41-N45 PolarHBondContact O-ND2 3.09Å; S41-N45 PolarHBondContact OG-ND2 3.23Å; S41-L129 WeakPolarHBondContact OG-CD1 3.37Å; S41-V130 PolarHBondContact OG-O 3.29Å
42I69Low66.8Low32 Ų3266.6 Ų66.616%0.16433%0.326CS..Hα-helixtrans-71.2-35.2176.3-76.1163.8000112.1L38 K39 T40 E44 P66 F68 L129L38-I42 PolarHBondContact O-N 3.17Å; K39-I42 PolarHBondContact O-N 2.87Å; T40-I42 VanDerWaalsContact C-N 3.29Å; T40-I42 PolarHBondContact O-N 3.06Å; I42-E44 VanDerWaalsContact C-N 3.33Å; I42-P66 HydrophobicContact CD1-CG 4.06Å; I42-P66 HydrophobicContact CG2-CG 3.91Å; I42-F68 HydrophobicContact CD1-CD2 4.21Å; I42-F68 HydrophobicContact CD1-CE1 4.3Å; I42-F68 HydrophobicContact CD1-CE2 3.08Å; I42-F68 HydrophobicContact CD1-CZ 3.14Å; I42-F68 HydrophobicContact CG1-CE2 4.48Å; I42-L129 HydrophobicContact CG1-CD1 3.71Å
43M58.8Low64.6Low123 Ų12367.6 Ų67.661%0.60634%0.336SS*.Hα-helixtrans-71.1-30.8177.5-59.7-167105.800111.9T40T40-M43 PolarHBondContact O-N 3.46Å; T40-M43 VanDerWaalsContact O-N 3.08Å
44E58.3Low62.5Low116 Ų11670.9 Ų70.954%0.54236%0.363SS..Hα-helixtrans-83.3-31.1178.7-74.3179.7-164.100114.3T40 S41 I42 R46 Q135T40-E44 PolarHBondContact O-N 2.98Å; S41-E44 PolarHBondContact O-N 3.04Å; I42-E44 VanDerWaalsContact C-N 3.33Å; E44-R46 PolarHBondContact O-N 2.81Å; E44-Q135 PolarHBondContact OE1-NE2 3.11Å; E44-Q135 PolarHBondContact OE2-NE2 3.36Å
45N58.5Low60.1Low47 Ų4776.5 Ų76.525%0.25139%0.394SS..  trans-65.5106.6-175.6-101.5-54.7000111.1S41 L47 M48 S49 V130S41-N45 WeakPolarHBondContact O-CB 3.49Å; S41-N45 PolarHBondContact O-N 3.18Å; S41-N45 PolarHBondContact O-ND2 3.09Å; S41-N45 PolarHBondContact OG-ND2 3.23Å; N45-L47 PolarHBondContact O-N 3.49Å; N45-M48 HydrophobicContact CB-CB 4.05Å; N45-M48 HydrophobicContact CB-CG 4.32Å; N45-M48 CarbonylContact O-C 3.59Å; N45-M48 WeakPolarHBondContact O-CA 3.36Å; N45-M48 PolarHBondContact O-N 3.39Å; N45-S49 PolarHBondContact O-N 3.23Å; N45-V130 PolarHBondContact ND2-O 3.24Å
46R45.8Very low57.9Low210 Ų21088.2 Ų88.279%0.79244%0.436SS*.Hα-helixtrans-55.2-35.6-179.6-77.2-173.2-178.9-179.41114E44 S49 T50E44-R46 PolarHBondContact O-N 2.81Å; R46-S49 WeakPolarHBondContact CA-OG 3.2Å; R46-S49 PolarHBondContact O-N 3.1Å; R46-S49 PolarHBondContact O-OG 3.32Å; R46-T50 WeakPolarHBondContact O-CB 3.3Å; R46-T50 WeakPolarHBondContact O-CG2 3.27Å; R46-T50 PolarHBondContact O-N 2.82Å; R46-T50 PolarHBondContact O-OG1 2.95Å
47L45.7Very low55.5Low140 Ų14093.3 Ų93.373%0.73346%0.46SS*.Hα-helixtrans-60.3-47.2173.5-79.4162.7000110.2N45 T50 F51N45-L47 PolarHBondContact O-N 3.49Å; L47-T50 PolarHBondContact O-OG1 3.21Å; L47-F51 WeakPolarHBondContact O-CD2 3.35Å; L47-F51 WeakPolarHBondContact O-CE2 3.48Å
48M46.8Very low53.3Low34 Ų3496 Ų9617%0.16747%0.473CS..Hα-helixtrans-72.2-33.2177.2-72.8-62.4-170.600113.4N45 F51 W101 A125N45-M48 HydrophobicContact CB-CB 4.05Å; N45-M48 HydrophobicContact CB-CG 4.32Å; N45-M48 CarbonylContact O-C 3.59Å; N45-M48 WeakPolarHBondContact O-CA 3.36Å; N45-M48 PolarHBondContact O-N 3.39Å; M48-F51 WeakPolarHBondContact O-CB 3.46Å; M48-F51 PolarHBondContact O-N 3.48Å; M48-F51 HydrophobicContact SD-CD2 4.16Å; M48-F51 HydrophobicContact SD-CE2 4.12Å; M48-W101 HydrophobicContact CE-CH2 3.62Å; M48-W101 HydrophobicContact CE-CZ2 4.22Å; M48-W101 HydrophobicContact SD-CH2 3.42Å; M48-W101 WeakPolarHBondContact SD-CH2 3.33Å; M48-W101 HydrophobicContact SD-CZ2 3.38Å; M48-W101 WeakPolarHBondContact SD-CZ2 3.34Å; M48-A125 HydrophobicContact CE-CB 3.8Å
49S44.5Very low50.8Low43 Ų43102.1 Ų102.130%0.30151%0.506SS..Hα-helixtrans-77.1-24.9177.882.10000112.7N45 R46 F51 I52N45-S49 PolarHBondContact O-N 3.23Å; R46-S49 WeakPolarHBondContact CA-OG 3.2Å; R46-S49 PolarHBondContact O-N 3.1Å; R46-S49 PolarHBondContact O-OG 3.32Å; S49-F51 PolarHBondContact O-N 3.42Å; S49-I52 WeakPolarHBondContact O-CD1 3.44Å; S49-I52 VanDerWaalsContact O-CG1 3.25Å; S49-I52 WeakPolarHBondContact O-CG1 3.28Å; S49-I52 PolarHBondContact O-N 3.41Å; S49-I52 VanDerWaalsContact O-N 3.16Å
50T43.7Very low48.7Very low104 Ų104103.2 Ų103.264%0.63852%0.523SS*.THydrogen-bonded Turntrans-66.7-12.4166.739.20000113.1R46 L47 I52R46-T50 WeakPolarHBondContact O-CB 3.3Å; R46-T50 WeakPolarHBondContact O-CG2 3.27Å; R46-T50 PolarHBondContact O-N 2.82Å; R46-T50 PolarHBondContact O-OG1 2.95Å; L47-T50 PolarHBondContact O-OG1 3.21Å; T50-I52 VanDerWaalsContact C-N 3.26Å; T50-I52 PolarHBondContact O-N 3.06Å
51F48.3Very low46.7Very low47 Ų47109.3 Ų109.321%0.20655%0.547CS..THydrogen-bonded Turntrans-83.46.8170.4-62.7-92.7000113.5L47 M48 S49 P53 C105 L108L47-F51 WeakPolarHBondContact O-CD2 3.35Å; L47-F51 WeakPolarHBondContact O-CE2 3.48Å; M48-F51 WeakPolarHBondContact O-CB 3.46Å; M48-F51 PolarHBondContact O-N 3.48Å; M48-F51 HydrophobicContact SD-CD2 4.16Å; M48-F51 HydrophobicContact SD-CE2 4.12Å; S49-F51 PolarHBondContact O-N 3.42Å; F51-P53 VanDerWaalsContact O-CD 3.25Å; F51-P53 WeakPolarHBondContact O-CD 3.47Å; F51-C105 HydrophobicContact CD1-CB 4.35Å; F51-C105 HydrophobicContact CE1-CB 4.05Å; F51-L108 HydrophobicContact CD1-CD1 3.56Å; F51-L108 HydrophobicContact CE1-CB 4.45Å; F51-L108 HydrophobicContact CE1-CD1 3.81Å
52I41.3Very low45.1Very low114 Ų114113.2 Ų113.259%0.58557%0.574SS**SBendtrans-68.4114.4164.8-60.7166.7000106.3S49 T50 T54S49-I52 WeakPolarHBondContact O-CD1 3.44Å; S49-I52 VanDerWaalsContact O-CG1 3.25Å; S49-I52 WeakPolarHBondContact O-CG1 3.28Å; S49-I52 PolarHBondContact O-N 3.41Å; S49-I52 VanDerWaalsContact O-N 3.16Å; T50-I52 VanDerWaalsContact C-N 3.26Å; T50-I52 PolarHBondContact O-N 3.06Å; I52-T54 PolarHBondContact O-N 2.84Å; I52-T54 VanDerWaalsContact O-N 3.07Å
53P38.8Very low44.2Very low58 Ų58118.7 Ų118.738%0.37760%0.603SS.*  trans-57.6120.8-177.821.4-30.5000109.3F51 D55 I58F51-P53 VanDerWaalsContact O-CD 3.25Å; F51-P53 WeakPolarHBondContact O-CD 3.47Å; P53-D55 PolarHBondContact O-N 2.89Å; P53-I58 HydrophobicContact CB-CD1 4.08Å; P53-I58 HydrophobicContact CG-CD1 4.09Å
54T44.3Very low44.4Very low137 Ų137114.9 Ų114.984%0.8459%0.585SS**  trans-72.5-9.4174.443.60000112.3I52 R56I52-T54 PolarHBondContact O-N 2.84Å; I52-T54 VanDerWaalsContact O-N 3.07Å; T54-R56 PolarHBondContact O-N 2.89Å
55D39.1Very low44.9Very low120 Ų120115.2 Ų115.264%0.64259%0.587SS**  trans-73.8110.6175.1-84.3-25.3000111P53 Q57 I58P53-D55 PolarHBondContact O-N 2.89Å; D55-Q57 PolarHBondContact O-N 2.94Å; D55-I58 PolarHBondContact O-N 3.17Å
56R39.5Very low45.7Very low252 Ų252113.9 Ų113.995%0.95158%0.581SS**THydrogen-bonded Turntrans-554.1170.4-75-177.9172.7176.6-2.3115.1T54T54-R56 PolarHBondContact O-N 2.89Å
57Q36.2Very low47.2Very low179 Ų179106.7 Ų106.784%0.83656%0.56SS**THydrogen-bonded Turntrans-95.8-4.3178.1-74.1-170.9-14.700114.3D55D55-Q57 PolarHBondContact O-N 2.94Å
58I39.4Very low48.9Very low70 Ų70101.1 Ų101.136%0.35953%0.53SS..SBendtrans-103.2101.5172.9-53.9179.4000108.2P53 D55 T60P53-I58 HydrophobicContact CB-CD1 4.08Å; P53-I58 HydrophobicContact CG-CD1 4.09Å; D55-I58 PolarHBondContact O-N 3.17Å; I58-T60 PolarHBondContact O-N 2.86Å
59N31.9Very low50.4Low132 Ų132100.8 Ų100.871%0.70653%0.533SS*.  trans-49.1125173.7-73.3-21.5000110.3E61N59-E61 PolarHBondContact O-N 3.34Å
60T38.3Very low52.1Low147 Ų14799.9 Ų99.990%0.90253%0.527SS*.THydrogen-bonded Turntrans-7116.8-176.844.20000114.8I58I58-T60 PolarHBondContact O-N 2.86Å
61E36.8Very low53.4Low190 Ų19095.1 Ų95.189%0.88850%0.497SS*.THydrogen-bonded Turntrans-104.63.5178.1-70.9-172.7166.500113.8N59N59-E61 PolarHBondContact O-N 3.34Å
62C42.4Very low54.5Low83 Ų8393.4 Ų93.456%0.56149%0.491SS*.SBendtrans-83.8133.8176.2-76.80000112.3D64C62-D64 WeakPolarHBondContact CB-OD2 3.36Å; C62-D64 PolarHBondContact O-N 2.84Å
63D50.5Low55.5Low147 Ų14793.6 Ų93.679%0.78650%0.498SS*.  trans-57.757.3170.3-80.2-31.7000113.5
64D63Low56.3Low42 Ų4292.8 Ų92.823%0.22549%0.49CS..  trans-104.7-2-167.5-72.7-27.7000114.4C62C62-D64 WeakPolarHBondContact CB-OD2 3.36Å; C62-D64 PolarHBondContact O-N 2.84Å
65Q68.4Low56.6Low124 Ų12491 Ų9158%0.57948%0.475SS*.SBendtrans-86.1148.4177.2-68.3-171.4-7.800112.3V67Q65-V67 PolarHBondContact O-N 3.01Å
66P74.9Confident56.9Low19 Ų1992 Ų9212%0.12348%0.476CS..  trans-62.9133.7171.728.7-35.3000110.3I42 F68 Y96 I97I42-P66 HydrophobicContact CD1-CG 4.06Å; I42-P66 HydrophobicContact CG2-CG 3.91Å; P66-F68 HydrophobicContact CB-CE2 4.01Å; P66-F68 HydrophobicContact CG-CE2 4.39Å; P66-Y96 CarbonylContact C-O 3.46Å; P66-Y96 VanDerWaalsContact CA-O 3.27Å; P66-Y96 WeakPolarHBondContact CA-O 3.13Å; P66-I97 HydrophobicContact CB-CG1 4.29Å
67V78.3Confident57Low59 Ų5986.4 Ų86.436%0.35847%0.47SS..EExtended strand (participates in β ladder)trans-108.8128.8-176.5-176.50000110M1 Q65 I95 Y96M1-V67 HydrophobicContact CE-CB 3.63Å; M1-V67 HydrophobicContact CE-CG1 3.44Å; M1-V67 VanDerWaalsContact CE-CG1 3.44Å; M1-V67 HydrophobicContact CE-CG2 4.09Å; Q65-V67 PolarHBondContact O-N 3.01Å; V67-I95 WeakPolarHBondContact O-CA 3.44Å; V67-Y96 HydrophobicContact CG2-CD1 4.49Å; V67-Y96 PolarHBondContact N-O 3.27Å; V67-Y96 PolarHBondContact O-N 3.01Å
68F81.2Confident57.3Low22 Ų2280.1 Ų80.110%0.09645%0.446CS..EExtended strand (participates in β ladder)trans-110.3112.2172.6-63.2-99000107A35 L38 K39 I42 P66 I95A35-F68 HydrophobicContact CB-CB 4.44Å; L38-F68 HydrophobicContact CB-CD1 3.52Å; L38-F68 HydrophobicContact CB-CE1 3.78Å; L38-F68 HydrophobicContact CB-CG 4.14Å; L38-F68 HydrophobicContact CD1-CD1 4Å; L38-F68 HydrophobicContact CD1-CE1 4.22Å; L38-F68 HydrophobicContact CG-CD1 4.41Å; K39-F68 HydrophobicContact CB-CB 4.39Å; K39-F68 HydrophobicContact CB-CD2 4.4Å; I42-F68 HydrophobicContact CD1-CD2 4.21Å; I42-F68 HydrophobicContact CD1-CE1 4.3Å; I42-F68 HydrophobicContact CD1-CE2 3.08Å; I42-F68 HydrophobicContact CD1-CZ 3.14Å; I42-F68 HydrophobicContact CG1-CE2 4.48Å; P66-F68 HydrophobicContact CB-CE2 4.01Å; P66-F68 HydrophobicContact CG-CE2 4.39Å; F68-I95 HydrophobicContact CD1-CB 4.4Å; F68-I95 HydrophobicContact CD1-CD1 4.21Å; F68-I95 HydrophobicContact CD1-CG1 3.7Å; F68-I95 HydrophobicContact CD1-CG2 4.18Å; F68-I95 HydrophobicContact CE1-CB 4.18Å; F68-I95 HydrophobicContact CE1-CD1 3.83Å; F68-I95 HydrophobicContact CE1-CG1 3.67Å; F68-I95 HydrophobicContact CE1-CG2 3.56Å; F68-I95 HydrophobicContact CZ-CG2 3.74Å
69A78.7Confident57.4Low28 Ų2883.9 Ų83.923%0.23147%0.472CS..EExtended strand (participates in β ladder)trans-123.6133.5-177.700000110.1L94A69-L94 PolarHBondContact N-O 2.84Å; A69-L94 PolarHBondContact O-N 3.18Å
70S79.2Confident57.8Low24 Ų2482.1 Ų82.117%0.16847%0.466CS..EExtended strand (participates in β ladder)trans-68.4146.5167.8550000110.4C72S70-C72 WeakPolarHBondContact CB-O 3.41Å; S70-C72 PolarHBondContact O-N 3.47Å; S70-C72 PolarHBondContact OG-O 3.3Å
71C72Confident58Low4 Ų477.4 Ų77.43%0.02745%0.447CS..SBendtrans-65.4-28171.258.60000112.9F92 Q523C71-F92 HydrophobicContact CB-CD1 3.8Å; C71-F92 HydrophobicContact CB-CD2 4.03Å; C71-F92 HydrophobicContact CB-CE1 3.58Å; C71-F92 HydrophobicContact CB-CE2 3.82Å; C71-F92 HydrophobicContact CB-CG 4.02Å; C71-F92 HydrophobicContact CB-CZ 3.59Å; C71-F92 VanDerWaalsContact CB-O 3.29Å; C71-F92 WeakPolarHBondContact CB-O 3.25Å; C71-F92 PolarHBondContact N-O 2.83Å; C71-F92 VanDerWaalsContact N-O 3.08Å; C71-F92 PolarHBondContact SG-N 3.05Å; C71-F92 PolarHBondContact SG-O 3.21Å; C71-Q523 PolarHBondContact O-NE2 2.92Å
72C69.8Low58.2Low11 Ų1174.4 Ų74.47%0.07444%0.437CS..SBendtrans-115.5140.5-178.4-51.30000109.7I28 S70 C86 H88I28-C72 HydrophobicContact CG1-CB 4.22Å; I28-C72 HydrophobicContact CG2-CB 4.02Å; S70-C72 WeakPolarHBondContact CB-O 3.41Å; S70-C72 PolarHBondContact O-N 3.47Å; S70-C72 PolarHBondContact OG-O 3.3Å; C72-C86 PolarHBondContact SG-SG 2.95Å; C72-H88 PolarHBondContact SG-CE1 3.44Å; C72-H88 PolarHBondContact SG-ND1 2.67Å
73T62.4Low58.5Low118 Ų11873.8 Ų73.872%0.72443%0.425SS*.  trans-84.4140.9168500000109.4
74I56Low58.5Low41 Ų4170.7 Ų70.721%0.2141%0.408CS..  trans-96.2124.5167.7-58.8-178.8000106.6I28 H32 E76I28-I74 HydrophobicContact CG2-CG1 4.06Å; H32-I74 HydrophobicContact CB-CD1 3.47Å; H32-I74 VanDerWaalsContact CB-CD1 3.47Å; H32-I74 HydrophobicContact CB-CG1 4.31Å; H32-I74 VanDerWaalsContact CG-CD1 3.43Å; I74-E76 HydrophobicContact CB-CG 4.49Å; I74-E76 HydrophobicContact CG2-CG 3.72Å; I74-E76 PolarHBondContact O-N 2.98Å
75D49.6Very low57.8Low99 Ų9973.5 Ų73.553%0.52943%0.431SS..  trans-85.893.4163.3-73.9-23.7000107.5T77 S78D75-T77 PolarHBondContact O-N 2.72Å; D75-S78 PolarHBondContact O-OG 3.43Å
76E46Very low57.4Low141 Ų14168.7 Ų68.766%0.65941%0.411SS*.THydrogen-bonded Turntrans-68.6-11179.5-68.3-172159.400113.1I74I74-E76 HydrophobicContact CB-CG 4.49Å; I74-E76 HydrophobicContact CG2-CG 3.72Å; I74-E76 PolarHBondContact O-N 2.98Å
77T42Very low56.4Low135 Ų13569.4 Ų69.483%0.82842%0.422SS*.THydrogen-bonded Turntrans-80.7-9.7-177.451.90000114.7D75D75-T77 PolarHBondContact O-N 2.72Å
78S42.3Very low55.7Low46 Ų4667.7 Ų67.732%0.32241%0.41SS..  trans-90.6105.3177.563.60000110.9D75 T80D75-S78 PolarHBondContact O-OG 3.43Å; S78-T80 VanDerWaalsContact CB-O 3.28Å; S78-T80 WeakPolarHBondContact CB-O 3.35Å; S78-T80 PolarHBondContact O-N 2.84Å; S78-T80 PolarHBondContact OG-O 3.43Å
79T41.4Very low54.9Low149 Ų14969.4 Ų69.491%0.91443%0.425SS*.SBendtrans-65.8-24.8171.244.50000112.6
80T40.3Very low54.6Low95 Ų9569.4 Ų69.458%0.58342%0.422SS*.SBendtrans-82.6107.2161.551.80000106.7S78 D82S78-T80 VanDerWaalsContact CB-O 3.28Å; S78-T80 WeakPolarHBondContact CB-O 3.35Å; S78-T80 PolarHBondContact O-N 2.84Å; S78-T80 PolarHBondContact OG-O 3.43Å; T80-D82 PolarHBondContact O-N 2.91Å
81G41.8Very low54.8Low48 Ų4868.4 Ų68.450%0.49542%0.415SS..  trans-64.754.9-177.100000114.9F83G81-F83 WeakPolarHBondContact O-CD2 3.37Å; G81-F83 PolarHBondContact O-N 2.88Å
82D42.3Very low55.3Low127 Ų12768.3 Ų68.368%0.67941%0.414SS*.  trans-74.269.8167.1-75.1-18.2000107.8T80 N84T80-D82 PolarHBondContact O-N 2.91Å; D82-N84 PolarHBondContact O-N 3.4Å
83F48.2Very low56Low71 Ų7167.8 Ų67.831%0.31141%0.41SS..  trans-57.9111.4160.9-68.5-91.7000106.4I25 G81 S85I25-F83 HydrophobicContact CB-CD2 4.11Å; I25-F83 HydrophobicContact CB-CE2 4.45Å; I25-F83 HydrophobicContact CB-CG 4.25Å; I25-F83 HydrophobicContact CD1-CB 4.16Å; I25-F83 HydrophobicContact CD1-CD2 3.55Å; I25-F83 HydrophobicContact CD1-CE2 4.29Å; I25-F83 HydrophobicContact CD1-CG 4.13Å; I25-F83 HydrophobicContact CG1-CB 3.68Å; I25-F83 HydrophobicContact CG1-CD2 3.6Å; I25-F83 HydrophobicContact CG1-CE2 4.38Å; I25-F83 HydrophobicContact CG1-CG 3.7Å; I25-F83 HydrophobicContact CG2-CD1 4.05Å; I25-F83 HydrophobicContact CG2-CD2 3.4Å; I25-F83 HydrophobicContact CG2-CE1 3.96Å; I25-F83 HydrophobicContact CG2-CE2 3.3Å; I25-F83 HydrophobicContact CG2-CG 3.79Å; I25-F83 HydrophobicContact CG2-CZ 3.6Å; G81-F83 WeakPolarHBondContact O-CD2 3.37Å; G81-F83 PolarHBondContact O-N 2.88Å; F83-S85 PolarHBondContact O-N 3.29Å
84N50.6Low57Low82 Ų8262.5 Ų62.544%0.43938%0.378SS..  trans-47.4118.3170.8-81.6-43000107.8D82 C86 Q515D82-N84 PolarHBondContact O-N 3.4Å; N84-C86 PolarHBondContact O-N 3.12Å; N84-Q515 PolarHBondContact OD1-NE2 2.74Å
85S49.2Very low58.4Low101 Ų10160.6 Ų60.671%0.70637%0.368SS*.  trans-63.989.7172.752.20000107.1F83 G87F83-S85 PolarHBondContact O-N 3.29Å; S85-G87 PolarHBondContact O-N 3.49Å; S85-G87 VanDerWaalsContact O-N 3.16Å
86C58.7Low60Low22 Ų2256.1 Ų56.115%0.14934%0.344CS..  trans-64.5123.7174.460.70000106.4C72 N84 H88 H91C72-C86 PolarHBondContact SG-SG 2.95Å; N84-C86 PolarHBondContact O-N 3.12Å; C86-H88 VanDerWaalsContact CB-CE1 3.46Å; C86-H88 WeakPolarHBondContact CB-CE1 3.4Å; C86-H88 PolarHBondContact O-N 2.91Å; C86-H88 PolarHBondContact SG-ND1 3.06Å; C86-H91 PolarHBondContact SG-CE1 3.33Å
87G55.2Low61.7Low35 Ų3549.7 Ų49.736%0.36131%0.313SS..  trans-68.223.6-177.400000114.8S85S85-G87 PolarHBondContact O-N 3.49Å; S85-G87 VanDerWaalsContact O-N 3.16Å
88H62.6Low63.5Low22 Ų2243.4 Ų43.410%0.10228%0.275CS..  trans-71140.4-176.6-54.7148.6000110.7C72 C86 T90 K519 E527C72-H88 PolarHBondContact SG-CE1 3.44Å; C72-H88 PolarHBondContact SG-ND1 2.67Å; C86-H88 VanDerWaalsContact CB-CE1 3.46Å; C86-H88 WeakPolarHBondContact CB-CE1 3.4Å; C86-H88 PolarHBondContact O-N 2.91Å; C86-H88 PolarHBondContact SG-ND1 3.06Å; H88-T90 VanDerWaalsContact C-N 3.27Å; H88-K519 PolarHBondContact NE2-NZ 3.44Å; H88-E527 IonicContact CD2-OE1 3.41Å; H88-E527 PolarHBondContact CD2-OE1 2.91Å; H88-E527 IonicContact CE1-OE1 2.8Å; H88-E527 IonicContact NE2-OE1 2.77Å; H88-E527 PolarHBondContact NE2-OE1 3.32Å; H88-E527 VanDerWaalsContact NE2-OE1 3.13Å
89S65.3Low65Low59 Ų5944.7 Ų44.741%0.41328%0.275SS..SBendtrans-69.8-27.2170.659.40000113.2K14K14-S89 WeakPolarHBondContact CE-O 3.44Å; K14-S89 PolarHBondContact NZ-O 3.36Å
90T72Confident66.5Low28 Ų2841.4 Ų41.417%0.17225%0.251CS..SBendtrans-155.4133.8-173.439.50000109.3K14 H88K14-T90 HydrophobicContact CG-CG2 4.48Å; H88-T90 VanDerWaalsContact C-N 3.27Å
91H82.2Confident68.1Low2 Ų238.1 Ų38.11%0.00923%0.228CC..  trans-90.1145.7175.3-54.6-102000111.5V12 Q27 I28 V31 C86V12-H91 PolarHBondContact N-O 2.92Å; Q27-H91 HydrophobicContact CB-CB 4.49Å; Q27-H91 PolarHBondContact OE1-CD2 3.46Å; Q27-H91 VanDerWaalsContact OE1-CD2 3.26Å; I28-H91 WeakPolarHBondContact CG1-CE1 2.9Å; I28-H91 WeakPolarHBondContact CG1-ND1 3.35Å; V31-H91 HydrophobicContact CG2-CB 3.75Å; C86-H91 PolarHBondContact SG-CE1 3.33Å
92F83.1Confident69.6Low2 Ų235.9 Ų35.91%0.00921%0.205CC..EExtended strand (participates in β ladder)trans-149.9156.2-174.662.4-85.7000114.3C9 L10 T11 V31 C71 L94 V526 E527 L530C9-F92 WeakPolarHBondContact SG-CB 3.33Å; C9-F92 WeakPolarHBondContact SG-CD2 3.4Å; C9-F92 VanDerWaalsContact SG-CG 3.52Å; L10-F92 CarbonylContact O-C 3.52Å; L10-F92 WeakPolarHBondContact O-CA 3.31Å; L10-F92 VanDerWaalsContact O-CB 3.3Å; L10-F92 WeakPolarHBondContact O-CB 3.46Å; T11-F92 HydrophobicContact CG2-CB 4.4Å; V31-F92 WeakPolarHBondContact CG1-O 3.44Å; C71-F92 HydrophobicContact CB-CD1 3.8Å; C71-F92 HydrophobicContact CB-CD2 4.03Å; C71-F92 HydrophobicContact CB-CE1 3.58Å; C71-F92 HydrophobicContact CB-CE2 3.82Å; C71-F92 HydrophobicContact CB-CG 4.02Å; C71-F92 HydrophobicContact CB-CZ 3.59Å; C71-F92 VanDerWaalsContact CB-O 3.29Å; C71-F92 WeakPolarHBondContact CB-O 3.25Å; C71-F92 PolarHBondContact N-O 2.83Å; C71-F92 VanDerWaalsContact N-O 3.08Å; C71-F92 PolarHBondContact SG-N 3.05Å; C71-F92 PolarHBondContact SG-O 3.21Å; F92-L94 HydrophobicContact CE2-CB 4.35Å; F92-V526 HydrophobicContact CD2-CG1 4.22Å; F92-V526 HydrophobicContact CE2-CB 4.17Å; F92-V526 HydrophobicContact CE2-CG1 3.54Å; F92-V526 HydrophobicContact CZ-CB 4.13Å; F92-V526 HydrophobicContact CZ-CG1 3.8Å; F92-E527 HydrophobicContact CE1-CG 3.97Å; F92-E527 HydrophobicContact CZ-CG 4.18Å; F92-L530 HydrophobicContact CB-CD1 4.47Å; F92-L530 HydrophobicContact CD1-CD1 3.29Å; F92-L530 HydrophobicContact CD2-CD1 4.24Å; F92-L530 HydrophobicContact CE1-CD1 3.39Å; F92-L530 HydrophobicContact CE2-CD1 4.32Å; F92-L530 HydrophobicContact CG-CD1 3.75Å; F92-L530 HydrophobicContact CZ-CD1 3.92Å
93V85.4Confident71Confident0 Ų034 Ų340%019%0.191CC..EExtended strand (participates in β ladder)trans-96.3125.9165.4-176.90000108.5L10 V31 L34 A35 I95L10-V93 HydrophobicContact CB-CB 4.04Å; L10-V93 PolarHBondContact N-O 3.48Å; L10-V93 PolarHBondContact O-N 3.38Å; V31-V93 HydrophobicContact CB-CG2 4.4Å; V31-V93 HydrophobicContact CG1-CG2 3.77Å; V31-V93 WeakPolarHBondContact O-CG2 3.42Å; L34-V93 HydrophobicContact CB-CG2 4.05Å; A35-V93 HydrophobicContact CB-CG1 3.89Å; A35-V93 HydrophobicContact CB-CG2 4.38Å; V93-I95 HydrophobicContact CG1-CG1 4.37Å
94L83.6Confident71.9Confident8 Ų832.2 Ų32.24%0.04218%0.183CC..EExtended strand (participates in β ladder)trans-88.9123.4172.2-178.565.9000109.2A69 F92 Y522 V526A69-L94 PolarHBondContact N-O 2.84Å; A69-L94 PolarHBondContact O-N 3.18Å; F92-L94 HydrophobicContact CE2-CB 4.35Å; L94-Y522 HydrophobicContact CD2-CD2 4.44Å; L94-V526 HydrophobicContact CD1-CG1 4.45Å; L94-V526 HydrophobicContact CD1-CG2 4.06Å
95I85.2Confident72.7Confident0 Ų028.7 Ų28.70%017%0.165CC..EExtended strand (participates in β ladder)trans-109.8119.8175.8-54.8172.8000107.3R7 F8 V67 F68 V93 I97 I126 F176R7-I95 CarbonylContact C-O 3.52Å; R7-I95 WeakPolarHBondContact CA-O 3.21Å; F8-I95 HydrophobicContact CB-CB 4.16Å; F8-I95 PolarHBondContact N-O 3.33Å; F8-I95 PolarHBondContact O-N 3.27Å; V67-I95 WeakPolarHBondContact O-CA 3.44Å; F68-I95 HydrophobicContact CD1-CB 4.4Å; F68-I95 HydrophobicContact CD1-CD1 4.21Å; F68-I95 HydrophobicContact CD1-CG1 3.7Å; F68-I95 HydrophobicContact CD1-CG2 4.18Å; F68-I95 HydrophobicContact CE1-CB 4.18Å; F68-I95 HydrophobicContact CE1-CD1 3.83Å; F68-I95 HydrophobicContact CE1-CG1 3.67Å; F68-I95 HydrophobicContact CE1-CG2 3.56Å; F68-I95 HydrophobicContact CZ-CG2 3.74Å; V93-I95 HydrophobicContact CG1-CG1 4.37Å; I95-I97 HydrophobicContact CG2-CG1 4.34Å; I95-I126 HydrophobicContact CD1-CG2 4.47Å; I95-I126 HydrophobicContact CG2-CD1 3.92Å; I95-F176 HydrophobicContact CD1-CE2 4.21Å
96Y82Confident73.5Confident6 Ų624.5 Ų24.52%0.02414%0.136CC..EExtended strand (participates in β ladder)trans-114.9122.8176.5176.2-107.6000109.9M1 S2 R7 P66 V67 P98M1-Y96 HydrophobicContact CE-CD1 4.35Å; M1-Y96 HydrophobicContact CE-CG 4.37Å; M1-Y96 HydrophobicContact CG-CD1 4.4Å; M1-Y96 HydrophobicContact SD-CD1 4.05Å; M1-Y96 HydrophobicContact SD-CD2 4.39Å; M1-Y96 HydrophobicContact SD-CG 3.86Å; S2-Y96 PolarHBondContact O-OH 3.2Å; S2-Y96 VanDerWaalsContact O-OH 3.12Å; S2-Y96 PolarHBondContact OG-OH 2.8Å; S2-Y96 VanDerWaalsContact OG-OH 3.04Å; R7-Y96 HydrophobicContact CG-CD2 3.83Å; P66-Y96 CarbonylContact C-O 3.46Å; P66-Y96 VanDerWaalsContact CA-O 3.27Å; P66-Y96 WeakPolarHBondContact CA-O 3.13Å; V67-Y96 HydrophobicContact CG2-CD1 4.49Å; V67-Y96 PolarHBondContact N-O 3.27Å; V67-Y96 PolarHBondContact O-N 3.01Å; Y96-P98 HydrophobicContact CD1-CG 4.29Å; Y96-P98 HydrophobicContact CE1-CB 4.42Å; Y96-P98 HydrophobicContact CE1-CG 3.86Å
97I81.2Confident73.8Confident5 Ų526.5 Ų26.53%0.02615%0.151CC..EExtended strand (participates in β ladder)trans-112.4115.6174.7-58-178.9000108.8G5 V6 F8 P66 I95 W101 L102 A122 I126G5-I97 CarbonylContact C-O 3.44Å; G5-I97 VanDerWaalsContact CA-O 3.28Å; G5-I97 WeakPolarHBondContact CA-O 3.11Å; V6-I97 PolarHBondContact N-O 2.9Å; V6-I97 PolarHBondContact O-N 3.44Å; F8-I97 HydrophobicContact CE2-CD1 4.44Å; P66-I97 HydrophobicContact CB-CG1 4.29Å; I95-I97 HydrophobicContact CG2-CG1 4.34Å; I97-W101 HydrophobicContact CG2-CD2 4.36Å; I97-W101 HydrophobicContact CG2-CE3 3.46Å; I97-W101 VanDerWaalsContact CG2-CE3 3.46Å; I97-W101 HydrophobicContact CG2-CZ3 3.92Å; I97-L102 HydrophobicContact CG2-CD1 3.99Å; I97-L102 HydrophobicContact CG2-CD2 3.88Å; I97-L102 HydrophobicContact CG2-CG 3.65Å; I97-A122 HydrophobicContact CD1-CB 4.06Å; I97-I126 HydrophobicContact CD1-CD1 3.6Å; I97-I126 HydrophobicContact CD1-CG1 3.71Å
98P79.9Confident74Confident4 Ų430.7 Ų30.73%0.02616%0.164CC..EExtended strand (participates in β ladder)trans-59.1142175.8-24.834.4000112.6Y96 L100 W101 L102Y96-P98 HydrophobicContact CD1-CG 4.29Å; Y96-P98 HydrophobicContact CE1-CB 4.42Å; Y96-P98 HydrophobicContact CE1-CG 3.86Å; P98-L100 VanDerWaalsContact C-N 3.26Å; P98-L100 PolarHBondContact O-N 2.83Å; P98-W101 HydrophobicContact CB-CB 4.38Å; P98-W101 PolarHBondContact O-N 2.85Å; P98-L102 PolarHBondContact O-N 2.75Å
99K74.8Confident73.9Confident73 Ų7334.1 Ų34.132%0.31718%0.183SC..Hα-helixtrans-62.3-32.3177.7178.7160.2-177159.70113.2S4 L102 K103 Q118S4-K99 WeakPolarHBondContact O-CB 3.39Å; S4-K99 PolarHBondContact O-N 2.99Å; S4-K99 VanDerWaalsContact O-N 3.11Å; K99-L102 PolarHBondContact O-N 2.88Å; K99-K103 WeakPolarHBondContact O-CG 3.13Å; K99-K103 PolarHBondContact O-N 3.48Å; K99-Q118 VanDerWaalsContact CD-OE1 3.27Å; K99-Q118 VanDerWaalsContact CG-OE1 3.29Å
100L73.9Confident73.5Confident80 Ų8035.6 Ų35.642%0.41918%0.179SC..Hα-helixtrans-65.1-44.9179.4-171.665.2000111P98 L102 K103 Q104P98-L100 VanDerWaalsContact C-N 3.26Å; P98-L100 PolarHBondContact O-N 2.83Å; L100-L102 VanDerWaalsContact C-N 3.35Å; L100-L102 PolarHBondContact O-N 3.11Å; L100-K103 WeakPolarHBondContact O-CB 3.35Å; L100-K103 PolarHBondContact O-N 3.08Å; L100-K103 VanDerWaalsContact O-N 3.12Å; L100-Q104 WeakPolarHBondContact O-CG 3.39Å; L100-Q104 PolarHBondContact O-N 3.32Å
101W73.6Confident72.8Confident26 Ų2640.2 Ų40.210%0.09821%0.21CC..Hα-helixtrans-58.6-45.5175.9-169.985000111.8M48 I97 P98 K103 Q104 C105 A125M48-W101 HydrophobicContact CE-CH2 3.62Å; M48-W101 HydrophobicContact CE-CZ2 4.22Å; M48-W101 HydrophobicContact SD-CH2 3.42Å; M48-W101 WeakPolarHBondContact SD-CH2 3.33Å; M48-W101 HydrophobicContact SD-CZ2 3.38Å; M48-W101 WeakPolarHBondContact SD-CZ2 3.34Å; I97-W101 HydrophobicContact CG2-CD2 4.36Å; I97-W101 HydrophobicContact CG2-CE3 3.46Å; I97-W101 VanDerWaalsContact CG2-CE3 3.46Å; I97-W101 HydrophobicContact CG2-CZ3 3.92Å; P98-W101 HydrophobicContact CB-CB 4.38Å; P98-W101 PolarHBondContact O-N 2.85Å; W101-K103 VanDerWaalsContact C-N 3.33Å; W101-K103 PolarHBondContact O-N 2.97Å; W101-Q104 WeakPolarHBondContact O-CB 3.44Å; W101-Q104 PolarHBondContact O-N 2.88Å; W101-C105 PolarHBondContact O-N 2.96Å; W101-C105 PolarHBondContact O-SG 3.27Å; W101-C105 VanDerWaalsContact O-SG 3.35Å; W101-A125 HydrophobicContact CH2-CB 4.49Å; W101-A125 HydrophobicContact CZ3-CB 4.44Å
102L73.2Confident71.5Confident0 Ų045.1 Ų45.10%024%0.236CC..Hα-helixtrans-62.8-36.8175.1-69.3168.4000113.4V6 I97 P98 K99 L100 Q104 C105 A106 Q118 L121 A122V6-L102 HydrophobicContact CB-CD1 4.3Å; V6-L102 HydrophobicContact CG2-CD1 3.6Å; I97-L102 HydrophobicContact CG2-CD1 3.99Å; I97-L102 HydrophobicContact CG2-CD2 3.88Å; I97-L102 HydrophobicContact CG2-CG 3.65Å; P98-L102 PolarHBondContact O-N 2.75Å; K99-L102 PolarHBondContact O-N 2.88Å; L100-L102 VanDerWaalsContact C-N 3.35Å; L100-L102 PolarHBondContact O-N 3.11Å; L102-Q104 VanDerWaalsContact C-N 3.34Å; L102-C105 PolarHBondContact O-N 2.95Å; L102-A106 VanDerWaalsContact O-CB 3.26Å; L102-A106 WeakPolarHBondContact O-CB 3.32Å; L102-A106 PolarHBondContact O-N 3.32Å; L102-Q118 HydrophobicContact CB-CG 4.27Å; L102-Q118 HydrophobicContact CD1-CB 4.18Å; L102-L121 HydrophobicContact CD2-CD2 4.44Å; L102-A122 HydrophobicContact CD1-CB 3.75Å; L102-A122 HydrophobicContact CD2-CB 3.53Å; L102-A122 HydrophobicContact CG-CB 4.27Å
103K70.1Confident70.1Confident88 Ų8846.6 Ų46.638%0.38324%0.244SC..Hα-helixtrans-64-40.6175-76.6-177.2174.9-172.30111.5K99 L100 W101 A106 S107K99-K103 WeakPolarHBondContact O-CG 3.13Å; K99-K103 PolarHBondContact O-N 3.48Å; L100-K103 WeakPolarHBondContact O-CB 3.35Å; L100-K103 PolarHBondContact O-N 3.08Å; L100-K103 VanDerWaalsContact O-N 3.12Å; W101-K103 VanDerWaalsContact C-N 3.33Å; W101-K103 PolarHBondContact O-N 2.97Å; K103-A106 PolarHBondContact O-N 3.25Å; K103-S107 WeakPolarHBondContact O-CB 3.45Å; K103-S107 PolarHBondContact O-N 2.96Å; K103-S107 PolarHBondContact O-OG 3.38Å
104Q68.5Low68.6Low34 Ų3449.2 Ų49.216%0.15926%0.262CS..Hα-helixtrans-63.2-48.5176.2-70.1170.6-21.200110.7L100 W101 L102 A106 S107 L108L100-Q104 WeakPolarHBondContact O-CG 3.39Å; L100-Q104 PolarHBondContact O-N 3.32Å; W101-Q104 WeakPolarHBondContact O-CB 3.44Å; W101-Q104 PolarHBondContact O-N 2.88Å; L102-Q104 VanDerWaalsContact C-N 3.34Å; Q104-A106 VanDerWaalsContact C-N 3.32Å; Q104-A106 PolarHBondContact O-N 3.37Å; Q104-S107 WeakPolarHBondContact CA-OG 3.49Å; Q104-S107 PolarHBondContact O-N 2.95Å; Q104-S107 PolarHBondContact O-OG 3.02Å; Q104-L108 WeakPolarHBondContact O-CG 3.28Å; Q104-L108 PolarHBondContact O-N 3.48Å; Q104-L108 VanDerWaalsContact O-N 3.12Å
105C66.8Low67Low8 Ų853 Ų535%0.05428%0.281CS..Hα-helixtrans-57.8-44.5175-63.40000112.1F51 W101 L102 L108 L109 L121F51-C105 HydrophobicContact CD1-CB 4.35Å; F51-C105 HydrophobicContact CE1-CB 4.05Å; W101-C105 PolarHBondContact O-N 2.96Å; W101-C105 PolarHBondContact O-SG 3.27Å; W101-C105 VanDerWaalsContact O-SG 3.35Å; L102-C105 PolarHBondContact O-N 2.95Å; C105-L108 PolarHBondContact O-N 3.23Å; C105-L109 WeakPolarHBondContact O-CG 3.38Å; C105-L109 PolarHBondContact O-N 3.22Å; C105-L121 HydrophobicContact CB-CD2 3.98Å
106A66.7Low65.3Low12 Ų1257.3 Ų57.310%0.09930%0.304CS..Hα-helixtrans-59.9-50.7176.500000111.5L102 K103 Q104 L108 L109 R110 L113 L121L102-A106 VanDerWaalsContact O-CB 3.26Å; L102-A106 WeakPolarHBondContact O-CB 3.32Å; L102-A106 PolarHBondContact O-N 3.32Å; K103-A106 PolarHBondContact O-N 3.25Å; Q104-A106 VanDerWaalsContact C-N 3.32Å; Q104-A106 PolarHBondContact O-N 3.37Å; A106-L108 VanDerWaalsContact C-N 3.25Å; A106-L108 PolarHBondContact O-N 3.09Å; A106-L109 PolarHBondContact O-N 3.36Å; A106-R110 CarbonylContact O-C 3.53Å; A106-R110 PolarHBondContact O-N 3.26Å; A106-L113 HydrophobicContact CB-CB 4.43Å; A106-L113 HydrophobicContact CB-CD2 3.84Å; A106-L121 HydrophobicContact CB-CD2 3.96Å
107S64.6Low64.2Low65 Ų6559.2 Ų59.246%0.45531%0.313SS..Hα-helixtrans-60.5-33.4-178.259.30000113.6K103 Q104 R110K103-S107 WeakPolarHBondContact O-CB 3.45Å; K103-S107 PolarHBondContact O-N 2.96Å; K103-S107 PolarHBondContact O-OG 3.38Å; Q104-S107 WeakPolarHBondContact CA-OG 3.49Å; Q104-S107 PolarHBondContact O-N 2.95Å; Q104-S107 PolarHBondContact O-OG 3.02Å; S107-R110 CarbonylContact O-C 3.53Å
108L58.4Low63.3Low123 Ų12360.1 Ų60.164%0.64432%0.317SS*.Hα-helixtrans-77.7-36.2178-70.3169.4000112.4F51 Q104 C105 A106F51-L108 HydrophobicContact CD1-CD1 3.56Å; F51-L108 HydrophobicContact CE1-CB 4.45Å; F51-L108 HydrophobicContact CE1-CD1 3.81Å; Q104-L108 WeakPolarHBondContact O-CG 3.28Å; Q104-L108 PolarHBondContact O-N 3.48Å; Q104-L108 VanDerWaalsContact O-N 3.12Å; C105-L108 PolarHBondContact O-N 3.23Å; A106-L108 VanDerWaalsContact C-N 3.25Å; A106-L108 PolarHBondContact O-N 3.09Å
109L60.4Low62.5Low93 Ų9361.1 Ų61.149%0.48733%0.325SS..Hα-helixtrans-69.4-43.5173.2-75.1166.3000111.3C105 A106 L121C105-L109 WeakPolarHBondContact O-CG 3.38Å; C105-L109 PolarHBondContact O-N 3.22Å; A106-L109 PolarHBondContact O-N 3.36Å; L109-L121 HydrophobicContact CD1-CD1 3.48Å; L109-L121 VanDerWaalsContact CD1-CD1 3.48Å
110R57.6Low62.2Low90 Ų9060 Ų6034%0.3432%0.319SS..  trans-168132.8171.7-142.6-172.3-96.5-168.5-9.6112.9A106 S107 D112 L113A106-R110 CarbonylContact O-C 3.53Å; A106-R110 PolarHBondContact O-N 3.26Å; S107-R110 CarbonylContact O-C 3.53Å; R110-D112 VanDerWaalsContact C-N 3.31Å; R110-D112 WeakPolarHBondContact CB-OD1 3.41Å; R110-D112 WeakPolarHBondContact CD-OD1 3.37Å; R110-D112 VanDerWaalsContact CD-OD2 3.22Å; R110-D112 WeakPolarHBondContact CD-OD2 3.02Å; R110-D112 WeakPolarHBondContact CG-OD1 3.27Å; R110-D112 IonicContact NH1-OD2 3.63Å; R110-D112 PolarHBondContact NH1-OD2 3.21Å; R110-D112 PolarHBondContact O-N 3.06Å; R110-L113 WeakPolarHBondContact O-CB 3.41Å; R110-L113 PolarHBondContact O-N 3.4Å
111P57.1Low62Low125 Ų12556.7 Ų56.781%0.81230%0.302SS*.THydrogen-bonded Turntrans-69.1-20.7-177.825.5-35.4000115.5
112D54.5Low61.9Low105 Ų10555.4 Ų55.456%0.56130%0.297SS*.THydrogen-bonded Turntrans-85.8-3.9177.764.7-20.5000113.5R110 S114R110-D112 VanDerWaalsContact C-N 3.31Å; R110-D112 WeakPolarHBondContact CB-OD1 3.41Å; R110-D112 WeakPolarHBondContact CD-OD1 3.37Å; R110-D112 VanDerWaalsContact CD-OD2 3.22Å; R110-D112 WeakPolarHBondContact CD-OD2 3.02Å; R110-D112 WeakPolarHBondContact CG-OD1 3.27Å; R110-D112 IonicContact NH1-OD2 3.63Å; R110-D112 PolarHBondContact NH1-OD2 3.21Å; R110-D112 PolarHBondContact O-N 3.06Å; D112-S114 PolarHBondContact O-N 3.02Å
113L55.6Low62Low34 Ų3455.9 Ų55.918%0.17830%0.299CS..  trans-67.9109.4-176.8-166.768.8000109.9A106 R110 K117A106-L113 HydrophobicContact CB-CB 4.43Å; A106-L113 HydrophobicContact CB-CD2 3.84Å; R110-L113 WeakPolarHBondContact O-CB 3.41Å; R110-L113 PolarHBondContact O-N 3.4Å; L113-K117 HydrophobicContact CD1-CD 4.35Å
114S52.2Low62.2Low55 Ų5554.1 Ų54.139%0.38529%0.294SS..  trans-54.1140.6179.259.80000112.4D112 D116 K117D112-S114 PolarHBondContact O-N 3.02Å; S114-D116 PolarHBondContact O-N 3.21Å; S114-K117 PolarHBondContact O-N 3.07Å
115I49.7Very low62.4Low86 Ų8653.3 Ų53.344%0.44129%0.293SS..G310 helixtrans-56.1-21.1177.4-65.1171000112.5K117 Q118I115-K117 VanDerWaalsContact C-N 3.31Å; I115-K117 PolarHBondContact O-N 3.26Å; I115-Q118 VanDerWaalsContact O-CD 3.31Å; I115-Q118 WeakPolarHBondContact O-CG 3.36Å
116D51.2Low62.9Low91 Ų9153.7 Ų53.749%0.48729%0.294SS..G310 helixtrans-71.7-20.8-174.9-52-25.7000113.5S114 Q118S114-D116 PolarHBondContact O-N 3.21Å; D116-Q118 VanDerWaalsContact C-N 3.34Å; D116-Q118 PolarHBondContact O-N 3.44Å
117K58.5Low63.4Low47 Ų4757 Ų5720%0.20430%0.304CS..G310 helixtrans-90.814.6-177.9-63.2-171.6-176-175.70114.4L113 S114 I115 A119 W120 L121 N290L113-K117 HydrophobicContact CD1-CD 4.35Å; S114-K117 PolarHBondContact O-N 3.07Å; I115-K117 VanDerWaalsContact C-N 3.31Å; I115-K117 PolarHBondContact O-N 3.26Å; K117-A119 VanDerWaalsContact C-N 3.34Å; K117-A119 PolarHBondContact O-N 3.04Å; K117-W120 PolarHBondContact O-N 3.46Å; K117-L121 PolarHBondContact O-N 2.8Å; K117-N290 PolarHBondContact NZ-OD1 2.74Å
118Q61.8Low63.9Low24 Ų2457 Ų5711%0.11231%0.305CS..Hα-helixtrans-58-39.4-175.1-82.3175.4-6.300114.2K99 L102 I115 D116 L121 A122K99-Q118 VanDerWaalsContact CD-OE1 3.27Å; K99-Q118 VanDerWaalsContact CG-OE1 3.29Å; L102-Q118 HydrophobicContact CB-CG 4.27Å; L102-Q118 HydrophobicContact CD1-CB 4.18Å; I115-Q118 VanDerWaalsContact O-CD 3.31Å; I115-Q118 WeakPolarHBondContact O-CG 3.36Å; D116-Q118 VanDerWaalsContact C-N 3.34Å; D116-Q118 PolarHBondContact O-N 3.44Å; Q118-L121 PolarHBondContact O-N 3.08Å; Q118-A122 VanDerWaalsContact O-CB 3.31Å; Q118-A122 WeakPolarHBondContact O-CB 3.35Å; Q118-A122 PolarHBondContact O-N 2.71Å
119A63.8Low65Low24 Ų2451.7 Ų51.720%0.19828%0.277CS..Hα-helixtrans-64.4-43.9-178.200000112.1K117 A122 E123K117-A119 VanDerWaalsContact C-N 3.34Å; K117-A119 PolarHBondContact O-N 3.04Å; A119-A122 PolarHBondContact O-N 3.41Å; A119-E123 WeakPolarHBondContact O-CB 3.4Å; A119-E123 PolarHBondContact O-N 3.48Å
120W68.2Low66Low49 Ų4949 Ų4919%0.18626%0.264CS..Hα-helixtrans-63.9-42.7175.6169.381.5000111.8K117 A122 E123 L124 I293 L592K117-W120 PolarHBondContact O-N 3.46Å; W120-A122 VanDerWaalsContact C-N 3.32Å; W120-A122 PolarHBondContact O-N 3.07Å; W120-E123 PolarHBondContact O-N 3.14Å; W120-L124 HydrophobicContact CH2-CD2 3.7Å; W120-L124 HydrophobicContact CZ2-CD2 3.74Å; W120-L124 HydrophobicContact CZ3-CD2 4.37Å; W120-L124 WeakPolarHBondContact O-CB 3.42Å; W120-L124 PolarHBondContact O-N 3.4Å; W120-I293 HydrophobicContact CH2-CD1 3.9Å; W120-I293 HydrophobicContact CH2-CG1 4.24Å; W120-I293 HydrophobicContact CZ2-CD1 3.55Å; W120-I293 HydrophobicContact CZ2-CG1 4.07Å; W120-L592 HydrophobicContact CZ2-CD2 4.16Å; W120-L592 VanDerWaalsContact NE1-CD2 3.31Å
121L68.8Low67.4Low11 Ų1144.9 Ų44.96%0.05825%0.249CC..Hα-helixtrans-63.8-41.3178.2-170.874.8000111.3L102 C105 A106 L109 K117 Q118 L124 A125L102-L121 HydrophobicContact CD2-CD2 4.44Å; C105-L121 HydrophobicContact CB-CD2 3.98Å; A106-L121 HydrophobicContact CB-CD2 3.96Å; L109-L121 HydrophobicContact CD1-CD1 3.48Å; L109-L121 VanDerWaalsContact CD1-CD1 3.48Å; K117-L121 PolarHBondContact O-N 2.8Å; Q118-L121 PolarHBondContact O-N 3.08Å; L121-L124 PolarHBondContact O-N 3Å; L121-A125 WeakPolarHBondContact O-CB 3.42Å; L121-A125 PolarHBondContact O-N 2.72Å
122A73.1Confident68.7Low0 Ų041 Ų410%023%0.225CC..Hα-helixtrans-63.4-44.1176.100000111.7V6 F8 I97 L102 Q118 A119 W120 A125 I126V6-A122 HydrophobicContact CB-CB 4.24Å; V6-A122 HydrophobicContact CG1-CB 4.29Å; V6-A122 HydrophobicContact CG2-CB 4.37Å; F8-A122 HydrophobicContact CE2-CB 3.76Å; F8-A122 HydrophobicContact CZ-CB 3.96Å; I97-A122 HydrophobicContact CD1-CB 4.06Å; L102-A122 HydrophobicContact CD1-CB 3.75Å; L102-A122 HydrophobicContact CD2-CB 3.53Å; L102-A122 HydrophobicContact CG-CB 4.27Å; Q118-A122 VanDerWaalsContact O-CB 3.31Å; Q118-A122 WeakPolarHBondContact O-CB 3.35Å; Q118-A122 PolarHBondContact O-N 2.71Å; A119-A122 PolarHBondContact O-N 3.41Å; W120-A122 VanDerWaalsContact C-N 3.32Å; W120-A122 PolarHBondContact O-N 3.07Å; A122-A125 PolarHBondContact O-N 3.4Å; A122-I126 WeakPolarHBondContact O-CG1 3.5Å; A122-I126 PolarHBondContact O-N 3Å
123E75.2Confident70.2Confident9 Ų940 Ų404%0.04222%0.215CC..Hα-helixtrans-64-44.9176.2174.1158.8-166.800111.6F8 A119 W120 A125 I126 R127 F176 S590F8-E123 HydrophobicContact CE1-CB 3.92Å; F8-E123 HydrophobicContact CZ-CB 3.89Å; A119-E123 WeakPolarHBondContact O-CB 3.4Å; A119-E123 PolarHBondContact O-N 3.48Å; W120-E123 PolarHBondContact O-N 3.14Å; E123-A125 VanDerWaalsContact C-N 3.33Å; E123-A125 PolarHBondContact O-N 3.29Å; E123-I126 PolarHBondContact O-N 3.29Å; E123-R127 HydrophobicContact CG-CG 4.37Å; E123-R127 WeakPolarHBondContact O-CB 3.3Å; E123-R127 WeakPolarHBondContact O-CG 3.26Å; E123-R127 PolarHBondContact O-N 2.82Å; E123-R127 IonicContact OE1-CZ 3.67Å; E123-R127 VanDerWaalsContact OE1-CZ 3.24Å; E123-R127 IonicContact OE1-NE 2.77Å; E123-R127 PolarHBondContact OE1-NE 2.59Å; E123-R127 IonicContact OE1-NH2 3.66Å; E123-R127 PolarHBondContact OE1-NH2 2.88Å; E123-F176 HydrophobicContact CG-CE1 4.11Å; E123-S590 VanDerWaalsContact CD-OG 3.23Å; E123-S590 WeakPolarHBondContact OE2-CB 3.34Å; E123-S590 PolarHBondContact OE2-OG 3.19Å
124L72.6Confident71.7Confident52 Ų5241.6 Ų41.627%0.27223%0.233SC..Hα-helixtrans-60.1-44.3175.7-17768.6000111.1W120 L121 I126 R127 S128W120-L124 HydrophobicContact CH2-CD2 3.7Å; W120-L124 HydrophobicContact CZ2-CD2 3.74Å; W120-L124 HydrophobicContact CZ3-CD2 4.37Å; W120-L124 WeakPolarHBondContact O-CB 3.42Å; W120-L124 PolarHBondContact O-N 3.4Å; L121-L124 PolarHBondContact O-N 3Å; L124-I126 PolarHBondContact O-N 3.3Å; L124-R127 CarbonylContact O-C 3.54Å; L124-R127 PolarHBondContact O-N 2.94Å; L124-S128 VanDerWaalsContact O-CB 3.23Å; L124-S128 WeakPolarHBondContact O-CB 3.3Å; L124-S128 PolarHBondContact O-N 2.85Å; L124-S128 PolarHBondContact O-OG 2.88Å
125A73.4Confident73.3Confident17 Ų1739.8 Ų39.814%0.1422%0.219CC..Hα-helixtrans-57.5-47.8176.800000111.7M48 W101 L121 A122 E123 S128 L129M48-A125 HydrophobicContact CE-CB 3.8Å; W101-A125 HydrophobicContact CH2-CB 4.49Å; W101-A125 HydrophobicContact CZ3-CB 4.44Å; L121-A125 WeakPolarHBondContact O-CB 3.42Å; L121-A125 PolarHBondContact O-N 2.72Å; A122-A125 PolarHBondContact O-N 3.4Å; E123-A125 VanDerWaalsContact C-N 3.33Å; E123-A125 PolarHBondContact O-N 3.29Å; A125-S128 WeakPolarHBondContact CA-OG 3.2Å; A125-S128 PolarHBondContact O-N 2.97Å; A125-S128 PolarHBondContact O-OG 3.34Å; A125-L129 PolarHBondContact O-N 2.89Å
126I78.6Confident75.1Confident16 Ų1635.8 Ų35.88%0.08220%0.198CC..Hα-helixtrans-65.6-44.6178.1-63.4165.3000111F8 I95 I97 A122 E123 L124 S128 L129 L164 F176F8-I126 HydrophobicContact CB-CD1 4.27Å; F8-I126 HydrophobicContact CD1-CD1 4.42Å; F8-I126 HydrophobicContact CD2-CD1 3.25Å; F8-I126 HydrophobicContact CE2-CD1 3.53Å; F8-I126 HydrophobicContact CG-CD1 3.74Å; F8-I126 HydrophobicContact CZ-CD1 4.24Å; I95-I126 HydrophobicContact CD1-CG2 4.47Å; I95-I126 HydrophobicContact CG2-CD1 3.92Å; I97-I126 HydrophobicContact CD1-CD1 3.6Å; I97-I126 HydrophobicContact CD1-CG1 3.71Å; A122-I126 WeakPolarHBondContact O-CG1 3.5Å; A122-I126 PolarHBondContact O-N 3Å; E123-I126 PolarHBondContact O-N 3.29Å; L124-I126 PolarHBondContact O-N 3.3Å; I126-S128 PolarHBondContact O-N 3.22Å; I126-L129 VanDerWaalsContact O-CB 3.32Å; I126-L129 WeakPolarHBondContact O-CB 3.37Å; I126-L129 PolarHBondContact O-N 3.44Å; I126-L164 HydrophobicContact CG2-CD1 4.09Å; I126-F176 HydrophobicContact CB-CZ 4.06Å; I126-F176 HydrophobicContact CD1-CE2 4.09Å; I126-F176 HydrophobicContact CD1-CZ 3.74Å; I126-F176 HydrophobicContact CG2-CE2 3.78Å; I126-F176 HydrophobicContact CG2-CZ 3.76Å
127R76.9Confident76.8Confident80 Ų8035.4 Ų35.430%0.30219%0.194SC..Hα-helixtrans-66.5-20.2177.6-72.2178-179.8-106.410.5112.9E123 L124 P162 L164E123-R127 HydrophobicContact CG-CG 4.37Å; E123-R127 WeakPolarHBondContact O-CB 3.3Å; E123-R127 WeakPolarHBondContact O-CG 3.26Å; E123-R127 PolarHBondContact O-N 2.82Å; E123-R127 IonicContact OE1-CZ 3.67Å; E123-R127 VanDerWaalsContact OE1-CZ 3.24Å; E123-R127 IonicContact OE1-NE 2.77Å; E123-R127 PolarHBondContact OE1-NE 2.59Å; E123-R127 IonicContact OE1-NH2 3.66Å; E123-R127 PolarHBondContact OE1-NH2 2.88Å; L124-R127 CarbonylContact O-C 3.54Å; L124-R127 PolarHBondContact O-N 2.94Å; R127-P162 VanDerWaalsContact O-CB 3.31Å; R127-P162 WeakPolarHBondContact O-CB 3.44Å; R127-L164 HydrophobicContact CG-CD1 3.98Å
128S75.2Confident78.3Confident67 Ų6736.1 Ų36.147%0.46920%0.204SC..THydrogen-bonded Turntrans-90.3-7.4176.972.10000114.2L124 A125 I126 V130L124-S128 VanDerWaalsContact O-CB 3.23Å; L124-S128 WeakPolarHBondContact O-CB 3.3Å; L124-S128 PolarHBondContact O-N 2.85Å; L124-S128 PolarHBondContact O-OG 2.88Å; A125-S128 WeakPolarHBondContact CA-OG 3.2Å; A125-S128 PolarHBondContact O-N 2.97Å; A125-S128 PolarHBondContact O-OG 3.34Å; I126-S128 PolarHBondContact O-N 3.22Å; S128-V130 PolarHBondContact O-N 3.42Å
129L80.4Confident79.6Confident10 Ų1035.2 Ų35.25%0.05220%0.2CC..  trans-59.4138.3179.2-17075.3000109.8L38 S41 I42 A125 I126 P162 A163L38-L129 HydrophobicContact CD2-CD2 3.5Å; S41-L129 WeakPolarHBondContact OG-CD1 3.37Å; I42-L129 HydrophobicContact CG1-CD1 3.71Å; A125-L129 PolarHBondContact O-N 2.89Å; I126-L129 VanDerWaalsContact O-CB 3.32Å; I126-L129 WeakPolarHBondContact O-CB 3.37Å; I126-L129 PolarHBondContact O-N 3.44Å; L129-P162 CarbonylContact O-C 3.49Å; L129-P162 WeakPolarHBondContact O-CA 3.49Å; L129-A163 HydrophobicContact CB-CB 4.12Å; L129-A163 HydrophobicContact CD2-CB 4.07Å; L129-A163 HydrophobicContact CG-CB 4.2Å; L129-A163 VanDerWaalsContact O-CB 3.31Å; L129-A163 WeakPolarHBondContact O-CB 3.38Å; L129-A163 PolarHBondContact O-N 2.96Å
130V82.7Confident80.8Confident36 Ų3634.2 Ų34.222%0.21819%0.192CC..BIsolated β-bridgetrans-121135.5175.5-179.70000108.7S41 N45 S128 N160S41-V130 PolarHBondContact OG-O 3.29Å; N45-V130 PolarHBondContact ND2-O 3.24Å; S128-V130 PolarHBondContact O-N 3.42Å; V130-N160 HydrophobicContact CG1-CB 4.03Å
131L85.4Confident81.7Confident4 Ų441.1 Ų41.12%0.02122%0.219CC..  trans-93.5139174.2-64.9174.7000110.1I136 A163 L167L131-I136 HydrophobicContact CB-CD1 4.01Å; L131-I136 HydrophobicContact CB-CG1 3.84Å; L131-I136 HydrophobicContact CD1-CG1 4.24Å; L131-A163 HydrophobicContact CD1-CB 4.05Å; L131-A163 HydrophobicContact CD2-CB 4.34Å; L131-A163 HydrophobicContact CG-CB 3.66Å; L131-L167 HydrophobicContact CD1-CD1 4.21Å; L131-L167 HydrophobicContact CD1-CD2 4.16Å; L131-L167 HydrophobicContact CD1-CG 4.11Å
132S85.2Confident82.5Confident44 Ų4442.7 Ų42.731%0.30823%0.227SC..  trans-72.7155.8172.774.60000110.8A134 Q135 I136S132-A134 VanDerWaalsContact C-N 3.26Å; S132-A134 PolarHBondContact O-N 3.5Å; S132-Q135 WeakPolarHBondContact O-CB 3.38Å; S132-Q135 PolarHBondContact O-N 3.5Å; S132-Q135 VanDerWaalsContact O-N 3.15Å; S132-Q135 VanDerWaalsContact OG-CG 3.3Å; S132-Q135 WeakPolarHBondContact OG-CG 3.35Å; S132-Q135 PolarHBondContact OG-N 3.08Å; S132-Q135 PolarHBondContact OG-OE1 3.2Å; S132-I136 WeakPolarHBondContact O-CG1 3.34Å; S132-I136 PolarHBondContact O-N 3.44Å; S132-I136 VanDerWaalsContact O-N 3.16Å
133K85.5Confident83.2Confident84 Ų8442.8 Ų42.837%0.36523%0.228SC..Hα-helixtrans-55.9-41.5177.2-178.5168.1172.5162.40112.3Q135 I136 E137 N154 I157K133-Q135 PolarHBondContact O-N 2.93Å; K133-I136 PolarHBondContact O-N 3.42Å; K133-E137 WeakPolarHBondContact CE-OE1 3.43Å; K133-E137 HydrophobicContact CG-CG 4.42Å; K133-E137 IonicContact NZ-OE1 2.73Å; K133-E137 WeakPolarHBondContact O-CG 3.31Å; K133-E137 PolarHBondContact O-N 3.33Å; K133-N154 PolarHBondContact NZ-OD1 2.92Å; K133-I157 HydrophobicContact CB-CG2 3.73Å; K133-I157 HydrophobicContact CG-CG2 4.17Å
134A86.8Confident83.6Confident67 Ų6744.6 Ų44.655%0.55425%0.249SC*.Hα-helixtrans-63.3-38.9178.800000112.6S132 I136 E137 S138S132-A134 VanDerWaalsContact C-N 3.26Å; S132-A134 PolarHBondContact O-N 3.5Å; A134-I136 VanDerWaalsContact C-N 3.35Å; A134-E137 PolarHBondContact O-N 3.49Å; A134-S138 WeakPolarHBondContact O-CB 3.49Å; A134-S138 PolarHBondContact O-N 2.94Å
135Q86.3Confident84.2Confident17 Ų1743.2 Ų43.28%0.07924%0.242CC..Hα-helixtrans-64.1-40.4175.7-75.3168.1-19.200111.8E44 S132 K133 L139E44-Q135 PolarHBondContact OE1-NE2 3.11Å; E44-Q135 PolarHBondContact OE2-NE2 3.36Å; S132-Q135 WeakPolarHBondContact O-CB 3.38Å; S132-Q135 PolarHBondContact O-N 3.5Å; S132-Q135 VanDerWaalsContact O-N 3.15Å; S132-Q135 VanDerWaalsContact OG-CG 3.3Å; S132-Q135 WeakPolarHBondContact OG-CG 3.35Å; S132-Q135 PolarHBondContact OG-N 3.08Å; S132-Q135 PolarHBondContact OG-OE1 3.2Å; K133-Q135 PolarHBondContact O-N 2.93Å; Q135-L139 VanDerWaalsContact O-CB 3.3Å; Q135-L139 WeakPolarHBondContact O-CB 3.44Å; Q135-L139 PolarHBondContact O-N 3.27Å
136I86.6Confident84.6Confident3 Ų346.2 Ų46.22%0.01526%0.26CS..Hα-helixtrans-68.8-43.2178.3-62165.1000110.5L131 S132 K133 A134 L139 V140 I157 I166L131-I136 HydrophobicContact CB-CD1 4.01Å; L131-I136 HydrophobicContact CB-CG1 3.84Å; L131-I136 HydrophobicContact CD1-CG1 4.24Å; S132-I136 WeakPolarHBondContact O-CG1 3.34Å; S132-I136 PolarHBondContact O-N 3.44Å; S132-I136 VanDerWaalsContact O-N 3.16Å; K133-I136 PolarHBondContact O-N 3.42Å; A134-I136 VanDerWaalsContact C-N 3.35Å; I136-L139 PolarHBondContact O-N 3.48Å; I136-V140 HydrophobicContact CG2-CG2 4.41Å; I136-V140 WeakPolarHBondContact O-CB 3.28Å; I136-V140 WeakPolarHBondContact O-CG2 3.32Å; I136-V140 PolarHBondContact O-N 3.49Å; I136-I157 HydrophobicContact CB-CD1 4.36Å; I136-I157 HydrophobicContact CD1-CB 4.45Å; I136-I157 HydrophobicContact CD1-CD1 3.69Å; I136-I157 HydrophobicContact CD1-CG1 3.65Å; I136-I157 HydrophobicContact CD1-CG2 4.05Å; I136-I157 HydrophobicContact CG2-CD1 4Å; I136-I166 HydrophobicContact CD1-CD1 3.92Å; I136-I166 HydrophobicContact CD1-CG2 3.96Å; I136-I166 HydrophobicContact CG1-CG2 4.44Å
137E88.8Confident84.7Confident83 Ų8351.8 Ų51.839%0.38829%0.289SS..Hα-helixtrans-61.6-44.1176.3-74.6175.4174.200111.8K133 A134 V140 Y141 I150K133-E137 WeakPolarHBondContact CE-OE1 3.43Å; K133-E137 HydrophobicContact CG-CG 4.42Å; K133-E137 IonicContact NZ-OE1 2.73Å; K133-E137 WeakPolarHBondContact O-CG 3.31Å; K133-E137 PolarHBondContact O-N 3.33Å; A134-E137 PolarHBondContact O-N 3.49Å; E137-V140 PolarHBondContact O-N 3.07Å; E137-Y141 WeakPolarHBondContact O-CB 3.46Å; E137-Y141 PolarHBondContact O-N 3.37Å; E137-I150 HydrophobicContact CG-CD1 4.17Å
138S89.2Confident84.9Confident61 Ų6154.6 Ų54.643%0.42731%0.31SS..Hα-helixtrans-59.8-47.5173.2-168.30000111.4A134 V140 Y141 D142A134-S138 WeakPolarHBondContact O-CB 3.49Å; A134-S138 PolarHBondContact O-N 2.94Å; S138-V140 PolarHBondContact O-N 2.62Å; S138-Y141 PolarHBondContact O-N 3.17Å; S138-D142 WeakPolarHBondContact O-CB 3.23Å; S138-D142 PolarHBondContact O-N 3.25Å; S138-D142 PolarHBondContact OG-OD2 3.41Å
139L89.3Confident85.2Confident5 Ų554.1 Ų54.13%0.02630%0.301CS..Hα-helixtrans-61.6-42.7-179.4-176.568.6000112R33 L34 C37 Q135 I136 L143 L167 L172R33-L139 HydrophobicContact CB-CD1 3.84Å; L34-L139 HydrophobicContact CD2-CD1 4.45Å; L34-L139 HydrophobicContact CD2-CD2 4.05Å; C37-L139 HydrophobicContact CB-CD1 4.4Å; Q135-L139 VanDerWaalsContact O-CB 3.3Å; Q135-L139 WeakPolarHBondContact O-CB 3.44Å; Q135-L139 PolarHBondContact O-N 3.27Å; I136-L139 PolarHBondContact O-N 3.48Å; L139-L143 HydrophobicContact CD1-CD1 3.77Å; L139-L143 HydrophobicContact CD1-CG 4.27Å; L139-L143 HydrophobicContact CG-CD1 3.97Å; L139-L143 WeakPolarHBondContact O-CB 3.33Å; L139-L143 VanDerWaalsContact O-CG 3.24Å; L139-L143 WeakPolarHBondContact O-CG 3.24Å; L139-L143 PolarHBondContact O-N 3.37Å; L139-L143 VanDerWaalsContact O-N 3.12Å; L139-L167 HydrophobicContact CD2-CD2 3.55Å; L139-L172 HydrophobicContact CD2-CD1 3.87Å; L139-L172 HydrophobicContact CG-CD1 4.41Å
140V87.8Confident85.3Confident3 Ų354.7 Ų54.72%0.01830%0.304CS..Hα-helixtrans-65.4-43.7177.9165.80000111I136 E137 S138 G144 L145 I150 L170I136-V140 HydrophobicContact CG2-CG2 4.41Å; I136-V140 WeakPolarHBondContact O-CB 3.28Å; I136-V140 WeakPolarHBondContact O-CG2 3.32Å; I136-V140 PolarHBondContact O-N 3.49Å; E137-V140 PolarHBondContact O-N 3.07Å; S138-V140 PolarHBondContact O-N 2.62Å; V140-G144 PolarHBondContact O-N 3.44Å; V140-L145 HydrophobicContact CB-CB 4.49Å; V140-L145 HydrophobicContact CG1-CB 3.94Å; V140-L145 HydrophobicContact CG2-CD1 4.37Å; V140-L145 PolarHBondContact O-N 2.84Å; V140-I150 HydrophobicContact CB-CD1 3.89Å; V140-I150 HydrophobicContact CB-CG1 4.28Å; V140-I150 HydrophobicContact CG1-CD1 3.63Å; V140-I150 HydrophobicContact CG1-CG1 4.04Å; V140-I150 HydrophobicContact CG2-CD1 4.08Å; V140-I150 HydrophobicContact CG2-CG1 3.92Å; V140-L170 HydrophobicContact CG2-CD2 4.48Å
141Y87.5Confident85.3Confident195 Ų19556.7 Ų56.777%0.76533%0.325SS*.Hα-helixtrans-62.5-49176.6-178.2-98000111.8E137 S138 L143 G144E137-Y141 WeakPolarHBondContact O-CB 3.46Å; E137-Y141 PolarHBondContact O-N 3.37Å; S138-Y141 PolarHBondContact O-N 3.17Å; Y141-L143 VanDerWaalsContact C-N 3.27Å; Y141-L143 PolarHBondContact O-N 3.15Å; Y141-G144 PolarHBondContact O-N 3.16Å; Y141-G144 VanDerWaalsContact O-N 3.16Å
142D85.8Confident85Confident43 Ų4359.2 Ų59.223%0.2335%0.351CS..Hα-helixtrans-66.6-27.3-176.8-69-28.3000113.5R29 R33 S138R29-D142 VanDerWaalsContact CZ-O 3.3Å; R29-D142 PolarHBondContact NE-O 3.31Å; R29-D142 VanDerWaalsContact NE-O 3.13Å; R29-D142 PolarHBondContact NH2-O 3.26Å; R33-D142 HydrophobicContact CG-CB 4.43Å; S138-D142 WeakPolarHBondContact O-CB 3.23Å; S138-D142 PolarHBondContact O-N 3.25Å; S138-D142 PolarHBondContact OG-OD2 3.41Å
143L87.2Confident84.9Confident2 Ų257.8 Ų57.81%0.0134%0.34CS..THydrogen-bonded Turntrans-93.9-0.4178.1-64.8179.8000113.9Y26 R29 V30 R33 L139 Y141 L145 L172Y26-L143 WeakPolarHBondContact CE2-O 3.23Å; Y26-L143 PolarHBondContact OH-O 3.46Å; R29-L143 HydrophobicContact CG-CD2 4.25Å; V30-L143 HydrophobicContact CB-CD2 4.37Å; V30-L143 HydrophobicContact CG2-CD1 4.28Å; V30-L143 HydrophobicContact CG2-CD2 3.88Å; R33-L143 HydrophobicContact CB-CD2 4.09Å; R33-L143 HydrophobicContact CG-CD2 4.07Å; L139-L143 HydrophobicContact CD1-CD1 3.77Å; L139-L143 HydrophobicContact CD1-CG 4.27Å; L139-L143 HydrophobicContact CG-CD1 3.97Å; L139-L143 WeakPolarHBondContact O-CB 3.33Å; L139-L143 VanDerWaalsContact O-CG 3.24Å; L139-L143 WeakPolarHBondContact O-CG 3.24Å; L139-L143 PolarHBondContact O-N 3.37Å; L139-L143 VanDerWaalsContact O-N 3.12Å; Y141-L143 VanDerWaalsContact C-N 3.27Å; Y141-L143 PolarHBondContact O-N 3.15Å; L143-L145 HydrophobicContact CB-CD1 4.25Å; L143-L145 HydrophobicContact CB-CG 4.01Å; L143-L145 HydrophobicContact CD1-CD1 4.39Å; L143-L145 PolarHBondContact O-N 2.93Å; L143-L172 HydrophobicContact CD1-CD1 3.96Å; L143-L172 HydrophobicContact CD1-CD2 3.86Å
144G83.5Confident84.9Confident47 Ų4755.8 Ų55.849%0.48533%0.333SS..THydrogen-bonded Turntrans64.325.1-179.100000113.6V140 Y141V140-G144 PolarHBondContact O-N 3.44Å; Y141-G144 PolarHBondContact O-N 3.16Å; Y141-G144 VanDerWaalsContact O-N 3.16Å
145L85.3Confident84.7Confident24 Ų2455.8 Ų55.813%0.12632%0.322CS..  trans-75147.8-179.2-70.2174.1000110.7V140 L143 I147 L149 L172V140-L145 HydrophobicContact CB-CB 4.49Å; V140-L145 HydrophobicContact CG1-CB 3.94Å; V140-L145 HydrophobicContact CG2-CD1 4.37Å; V140-L145 PolarHBondContact O-N 2.84Å; L143-L145 HydrophobicContact CB-CD1 4.25Å; L143-L145 HydrophobicContact CB-CG 4.01Å; L143-L145 HydrophobicContact CD1-CD1 4.39Å; L143-L145 PolarHBondContact O-N 2.93Å; L145-I147 PolarHBondContact O-N 3.11Å; L145-L149 HydrophobicContact CB-CD1 4.16Å; L145-L172 HydrophobicContact CD1-CD1 4.26Å; L145-L172 HydrophobicContact CD1-CD2 4.13Å; L145-L172 HydrophobicContact CD1-CG 4.45Å
146P83.2Confident84.5Confident80 Ų8056 Ų5652%0.51932%0.322SS..  trans-64.1127-179.322.2-30000111.4N148 L149P146-N148 PolarHBondContact O-N 3.47Å; P146-L149 HydrophobicContact CG-CD1 3.49Å; P146-L149 VanDerWaalsContact CG-CD1 3.49Å; P146-L149 HydrophobicContact CG-CG 4.03Å; P146-L149 VanDerWaalsContact O-CB 3.32Å; P146-L149 WeakPolarHBondContact O-CB 3.24Å; P146-L149 PolarHBondContact O-N 3.22Å
147I79.4Confident84.3Confident133 Ų13356.4 Ų56.468%0.68232%0.324SS*.THydrogen-bonded Turntrans-56.1-28.5-177.2-61.7165.3000112.2L145 L149 I150L145-I147 PolarHBondContact O-N 3.11Å; I147-L149 PolarHBondContact O-N 3.34Å; I147-L149 VanDerWaalsContact O-N 3.12Å; I147-I150 WeakPolarHBondContact O-CB 3.43Å; I147-I150 PolarHBondContact O-N 3.35Å
148N82.2Confident84Confident139 Ų13957.5 Ų57.574%0.74333%0.332SS*.Hα-helixtrans-58.1-24.9176.5-65.4-13.6000113.5P146 I150 A151 G152P146-N148 PolarHBondContact O-N 3.47Å; N148-I150 VanDerWaalsContact C-N 3.31Å; N148-I150 PolarHBondContact O-N 2.9Å; N148-A151 PolarHBondContact O-N 3.32Å; N148-G152 PolarHBondContact O-N 3.4Å
149L82.1Confident83.4Confident57 Ų5756.2 Ų56.230%0.29832%0.323SS..Hα-helixtrans-61.5-39.5173.5-75.4158.9000111.6L145 P146 I147 A151 G152 I153 L170L145-L149 HydrophobicContact CB-CD1 4.16Å; P146-L149 HydrophobicContact CG-CD1 3.49Å; P146-L149 VanDerWaalsContact CG-CD1 3.49Å; P146-L149 HydrophobicContact CG-CG 4.03Å; P146-L149 VanDerWaalsContact O-CB 3.32Å; P146-L149 WeakPolarHBondContact O-CB 3.24Å; P146-L149 PolarHBondContact O-N 3.22Å; I147-L149 PolarHBondContact O-N 3.34Å; I147-L149 VanDerWaalsContact O-N 3.12Å; L149-A151 VanDerWaalsContact C-N 3.31Å; L149-A151 PolarHBondContact O-N 3.26Å; L149-G152 PolarHBondContact O-N 3.46Å; L149-I153 WeakPolarHBondContact O-CG1 3.42Å; L149-I153 PolarHBondContact O-N 3.07Å; L149-L170 HydrophobicContact CB-CD2 4.11Å
150I81.7Confident82.9Confident22 Ų2261.1 Ų61.111%0.11335%0.349CS..Hα-helixtrans-63.9-40.7178.9-61.6167.8000109.8E137 V140 I147 N148 G152 I153 N154E137-I150 HydrophobicContact CG-CD1 4.17Å; V140-I150 HydrophobicContact CB-CD1 3.89Å; V140-I150 HydrophobicContact CB-CG1 4.28Å; V140-I150 HydrophobicContact CG1-CD1 3.63Å; V140-I150 HydrophobicContact CG1-CG1 4.04Å; V140-I150 HydrophobicContact CG2-CD1 4.08Å; V140-I150 HydrophobicContact CG2-CG1 3.92Å; I147-I150 WeakPolarHBondContact O-CB 3.43Å; I147-I150 PolarHBondContact O-N 3.35Å; N148-I150 VanDerWaalsContact C-N 3.31Å; N148-I150 PolarHBondContact O-N 2.9Å; I150-G152 VanDerWaalsContact C-N 3.28Å; I150-G152 PolarHBondContact O-N 3.46Å; I150-I153 CarbonylContact O-C 3.57Å; I150-I153 PolarHBondContact O-N 2.88Å; I150-N154 WeakPolarHBondContact O-CB 2.95Å; I150-N154 PolarHBondContact O-N 3.31Å
151A82.1Confident82.7Confident78 Ų7861.2 Ų61.265%0.64535%0.349SS*.Hα-helixtrans-59.7-39.1178.600000112.1N148 L149 I153N148-A151 PolarHBondContact O-N 3.32Å; L149-A151 VanDerWaalsContact C-N 3.31Å; L149-A151 PolarHBondContact O-N 3.26Å; A151-I153 VanDerWaalsContact C-N 3.3Å; A151-I153 PolarHBondContact O-N 3.31Å
152G79.3Confident82.5Confident56 Ų5652.7 Ų52.758%0.57732%0.318SS*.Hα-helixtrans-69.2-25.3176.100000114.3N148 L149 I150N148-G152 PolarHBondContact O-N 3.4Å; L149-G152 PolarHBondContact O-N 3.46Å; I150-G152 VanDerWaalsContact C-N 3.28Å; I150-G152 PolarHBondContact O-N 3.46Å
153I82.7Confident82.6Confident14 Ų1450.7 Ų50.77%0.07231%0.308CS..Hα-helixtrans-106.3-8.1-173.8-58.9170.2000111.8L149 I150 A151 E155 Y156 I157 I166 C169 L170L149-I153 WeakPolarHBondContact O-CG1 3.42Å; L149-I153 PolarHBondContact O-N 3.07Å; I150-I153 CarbonylContact O-C 3.57Å; I150-I153 PolarHBondContact O-N 2.88Å; A151-I153 VanDerWaalsContact C-N 3.3Å; A151-I153 PolarHBondContact O-N 3.31Å; I153-E155 VanDerWaalsContact C-N 3.27Å; I153-E155 PolarHBondContact O-N 3.28Å; I153-E155 VanDerWaalsContact O-N 3.11Å; I153-Y156 HydrophobicContact CB-CD2 4.34Å; I153-Y156 HydrophobicContact CG1-CD2 4.49Å; I153-Y156 HydrophobicContact CG2-CD2 4.05Å; I153-Y156 WeakPolarHBondContact O-CA 3.12Å; I153-Y156 VanDerWaalsContact O-CB 3.27Å; I153-Y156 WeakPolarHBondContact O-CB 3.42Å; I153-Y156 PolarHBondContact O-N 3.2Å; I153-I157 HydrophobicContact CG2-CD1 4.43Å; I153-I157 HydrophobicContact CG2-CG1 4.11Å; I153-I157 PolarHBondContact O-N 3.31Å; I153-I166 HydrophobicContact CG2-CG2 4.22Å; I153-C169 HydrophobicContact CD1-CB 4.04Å; I153-L170 HydrophobicContact CD1-CD2 3.49Å; I153-L170 VanDerWaalsContact CD1-CD2 3.49Å; I153-L170 HydrophobicContact CD1-CG 3.85Å
154N85.6Confident82.5Confident42 Ų4251.7 Ų51.723%0.22531%0.313CS..Hα-helixtrans-54.8-38.6-173.6-174.365.2000113.3K133 I150 Y156 I157 L158K133-N154 PolarHBondContact NZ-OD1 2.92Å; I150-N154 WeakPolarHBondContact O-CB 2.95Å; I150-N154 PolarHBondContact O-N 3.31Å; N154-Y156 VanDerWaalsContact C-N 3.35Å; N154-Y156 PolarHBondContact O-N 3.46Å; N154-I157 PolarHBondContact O-N 3.48Å; N154-L158 VanDerWaalsContact O-CG 3.28Å; N154-L158 WeakPolarHBondContact O-CG 3.23Å; N154-L158 PolarHBondContact O-N 3.29Å
155E82.6Confident82.6Confident68 Ų6850.1 Ų50.132%0.31829%0.293SS..Hα-helixtrans-65.9-33.3174.3-68.4-63.5154.500113.1I153 S159 W317I153-E155 VanDerWaalsContact C-N 3.27Å; I153-E155 PolarHBondContact O-N 3.28Å; I153-E155 VanDerWaalsContact O-N 3.11Å; E155-S159 WeakPolarHBondContact O-CB 3.4Å; E155-S159 PolarHBondContact O-N 3.31Å; E155-S159 PolarHBondContact O-OG 3.07Å; E155-W317 HydrophobicContact CB-CD2 4.1Å; E155-W317 HydrophobicContact CB-CE3 4.4Å; E155-W317 HydrophobicContact CB-CH2 3.65Å; E155-W317 HydrophobicContact CB-CZ2 3.31Å; E155-W317 HydrophobicContact CB-CZ3 4.19Å; E155-W317 HydrophobicContact CG-CD2 4.24Å; E155-W317 HydrophobicContact CG-CZ2 4.21Å
156Y83.4Confident82.7Confident22 Ų2249 Ų499%0.08629%0.287CS..Hα-helixtrans-68.5-37172.8-63.6-50.5000112I153 N154 S159 N160 R161 F165 W317I153-Y156 HydrophobicContact CB-CD2 4.34Å; I153-Y156 HydrophobicContact CG1-CD2 4.49Å; I153-Y156 HydrophobicContact CG2-CD2 4.05Å; I153-Y156 WeakPolarHBondContact O-CA 3.12Å; I153-Y156 VanDerWaalsContact O-CB 3.27Å; I153-Y156 WeakPolarHBondContact O-CB 3.42Å; I153-Y156 PolarHBondContact O-N 3.2Å; N154-Y156 VanDerWaalsContact C-N 3.35Å; N154-Y156 PolarHBondContact O-N 3.46Å; Y156-S159 WeakPolarHBondContact CA-OG 3Å; Y156-S159 PolarHBondContact O-N 2.75Å; Y156-S159 PolarHBondContact O-OG 3.26Å; Y156-S159 VanDerWaalsContact O-OG 3.11Å; Y156-N160 PolarHBondContact O-N 2.94Å; Y156-R161 HydrophobicContact CD1-CG 4.11Å; Y156-R161 HydrophobicContact CG-CG 4.43Å; Y156-R161 WeakPolarHBondContact O-CB 3.25Å; Y156-R161 VanDerWaalsContact O-CG 3.26Å; Y156-R161 WeakPolarHBondContact O-CG 3.47Å; Y156-R161 PolarHBondContact O-N 3.19Å; Y156-F165 AromaticContact CD1-CE1 3.97Å; Y156-F165 HydrophobicContact CD1-CE1 3.97Å; Y156-F165 HydrophobicContact CD1-CZ 4.5Å; Y156-F165 HydrophobicContact CD2-CE1 4.26Å; Y156-F165 HydrophobicContact CE1-CE1 4.21Å; Y156-F165 HydrophobicContact CE1-CZ 4.31Å; Y156-F165 HydrophobicContact CE2-CE1 4.48Å; Y156-F165 HydrophobicContact CG-CE1 4.01Å; Y156-W317 AromaticContact CD1-CH2 3.53Å; Y156-W317 HydrophobicContact CD1-CH2 3.53Å; Y156-W317 AromaticContact CD1-CZ2 3.82Å; Y156-W317 HydrophobicContact CD1-CZ2 3.82Å; Y156-W317 AromaticContact CE1-CH2 3.41Å; Y156-W317 HydrophobicContact CE1-CH2 3.41Å; Y156-W317 VanDerWaalsContact CE1-CH2 3.41Å; Y156-W317 AromaticContact CE1-CZ2 3.5Å; Y156-W317 HydrophobicContact CE1-CZ2 3.5Å; Y156-W317 HydrophobicContact CE2-CZ2 4.39Å; Y156-W317 HydrophobicContact CG-CH2 4.39Å; Y156-W317 HydrophobicContact CG-CZ2 4.37Å; Y156-W317 AromaticContact CZ-CZ2 3.82Å
157I82.5Confident83Confident10 Ų1045.3 Ų45.35%0.05126%0.263CS..Hα-helixtrans-67-46.6175.6-56.7175.9000109.9K133 I136 I153 N154 S159 N160K133-I157 HydrophobicContact CB-CG2 3.73Å; K133-I157 HydrophobicContact CG-CG2 4.17Å; I136-I157 HydrophobicContact CB-CD1 4.36Å; I136-I157 HydrophobicContact CD1-CB 4.45Å; I136-I157 HydrophobicContact CD1-CD1 3.69Å; I136-I157 HydrophobicContact CD1-CG1 3.65Å; I136-I157 HydrophobicContact CD1-CG2 4.05Å; I136-I157 HydrophobicContact CG2-CD1 4Å; I153-I157 HydrophobicContact CG2-CD1 4.43Å; I153-I157 HydrophobicContact CG2-CG1 4.11Å; I153-I157 PolarHBondContact O-N 3.31Å; N154-I157 PolarHBondContact O-N 3.48Å; I157-S159 PolarHBondContact O-N 2.72Å; I157-N160 PolarHBondContact O-N 3.33Å
158L81.5Confident83.5Confident107 Ų10743.6 Ų43.656%0.5625%0.252SS*.Hα-helixtrans-61.9-30.2178.1-71.2171.7000112.8N154 N160N154-L158 VanDerWaalsContact O-CG 3.28Å; N154-L158 WeakPolarHBondContact O-CG 3.23Å; N154-L158 PolarHBondContact O-N 3.29Å; L158-N160 VanDerWaalsContact C-N 3.3Å; L158-N160 PolarHBondContact O-N 2.82Å
159S77.2Confident83.7Confident34 Ų3438.7 Ų38.724%0.23823%0.228CC..THydrogen-bonded Turntrans-84.66.4176.352.50000114.4E155 Y156 I157 R161 F306E155-S159 WeakPolarHBondContact O-CB 3.4Å; E155-S159 PolarHBondContact O-N 3.31Å; E155-S159 PolarHBondContact O-OG 3.07Å; Y156-S159 WeakPolarHBondContact CA-OG 3Å; Y156-S159 PolarHBondContact O-N 2.75Å; Y156-S159 PolarHBondContact O-OG 3.26Å; Y156-S159 VanDerWaalsContact O-OG 3.11Å; I157-S159 PolarHBondContact O-N 2.72Å; S159-R161 PolarHBondContact O-N 2.84Å; S159-F306 WeakPolarHBondContact O-CZ 3.31Å
160N79.5Confident83.9Confident108 Ų10836.6 Ų36.658%0.57822%0.217SC*.THydrogen-bonded Turntrans53.748.2-178.5-67.8-38.5000113V130 Y156 I157 L158V130-N160 HydrophobicContact CG1-CB 4.03Å; Y156-N160 PolarHBondContact O-N 2.94Å; I157-N160 PolarHBondContact O-N 3.33Å; L158-N160 VanDerWaalsContact C-N 3.3Å; L158-N160 PolarHBondContact O-N 2.82Å
161R82.5Confident84.1Confident4 Ų437.1 Ų37.12%0.01523%0.227CC..  trans-64.6153.5176.2-72.5-75.9179.3164.212.2112.1Y156 S159 A163 F165 I166 F306Y156-R161 HydrophobicContact CD1-CG 4.11Å; Y156-R161 HydrophobicContact CG-CG 4.43Å; Y156-R161 WeakPolarHBondContact O-CB 3.25Å; Y156-R161 VanDerWaalsContact O-CG 3.26Å; Y156-R161 WeakPolarHBondContact O-CG 3.47Å; Y156-R161 PolarHBondContact O-N 3.19Å; S159-R161 PolarHBondContact O-N 2.84Å; R161-A163 PolarHBondContact O-N 2.66Å; R161-F165 HydrophobicContact CB-CD1 4.03Å; R161-F165 HydrophobicContact CG-CD1 4.29Å; R161-F165 HydrophobicContact CG-CE1 4.37Å; R161-I166 HydrophobicContact CB-CD1 4.21Å; R161-I166 HydrophobicContact CB-CG1 4.1Å; R161-F306 HydrophobicContact CG-CE1 4.47Å; R161-F306 HydrophobicContact CG-CZ 3.98Å; R161-F306 VanDerWaalsContact NH1-CD2 3.27Å; R161-F306 PolarHBondContact NH1-O 3.05Å
162P84.2Confident84.4Confident17 Ų1733.4 Ų33.411%0.1120%0.197CC..BIsolated β-bridgetrans-49.4138.3171.2-32.339.1000113.7R127 L129 L164 F165 I166R127-P162 VanDerWaalsContact O-CB 3.31Å; R127-P162 WeakPolarHBondContact O-CB 3.44Å; L129-P162 CarbonylContact O-C 3.49Å; L129-P162 WeakPolarHBondContact O-CA 3.49Å; P162-L164 VanDerWaalsContact C-N 3.32Å; P162-L164 PolarHBondContact O-N 3.12Å; P162-F165 HydrophobicContact CB-CB 4.08Å; P162-F165 WeakPolarHBondContact O-CB 3.32Å; P162-F165 PolarHBondContact O-N 3.28Å; P162-F165 VanDerWaalsContact O-N 3.11Å; P162-I166 PolarHBondContact O-N 2.83Å; P162-I166 VanDerWaalsContact O-N 3.08Å
163A86.7Confident84.9Confident1 Ų131.4 Ų31.41%0.00817%0.173CC..Hα-helixtrans-54.9-47.1177.700000111.4L129 L131 R161 F165 I166 L167L129-A163 HydrophobicContact CB-CB 4.12Å; L129-A163 HydrophobicContact CD2-CB 4.07Å; L129-A163 HydrophobicContact CG-CB 4.2Å; L129-A163 VanDerWaalsContact O-CB 3.31Å; L129-A163 WeakPolarHBondContact O-CB 3.38Å; L129-A163 PolarHBondContact O-N 2.96Å; L131-A163 HydrophobicContact CD1-CB 4.05Å; L131-A163 HydrophobicContact CD2-CB 4.34Å; L131-A163 HydrophobicContact CG-CB 3.66Å; R161-A163 PolarHBondContact O-N 2.66Å; A163-F165 VanDerWaalsContact C-N 3.29Å; A163-F165 PolarHBondContact O-N 2.75Å; A163-I166 PolarHBondContact O-N 3.29Å; A163-L167 WeakPolarHBondContact O-CB 3.4Å; A163-L167 WeakPolarHBondContact O-CG 3.32Å; A163-L167 PolarHBondContact O-N 3.43Å
164L86.2Confident85Confident22 Ų2232.9 Ų32.912%0.11518%0.184CC..Hα-helixtrans-59.4-40.8178.5-67.5-178.8000112L10 I126 R127 P162 L167 E168 I173 F176L10-L164 HydrophobicContact CD1-CD2 3.78Å; I126-L164 HydrophobicContact CG2-CD1 4.09Å; R127-L164 HydrophobicContact CG-CD1 3.98Å; P162-L164 VanDerWaalsContact C-N 3.32Å; P162-L164 PolarHBondContact O-N 3.12Å; L164-L167 PolarHBondContact O-N 3.34Å; L164-E168 VanDerWaalsContact O-CB 3.28Å; L164-E168 WeakPolarHBondContact O-CB 3.45Å; L164-E168 PolarHBondContact O-N 2.75Å; L164-I173 HydrophobicContact CD2-CD1 4.07Å; L164-F176 HydrophobicContact CD1-CD1 4.25Å; L164-F176 HydrophobicContact CD1-CD2 4.4Å; L164-F176 HydrophobicContact CD1-CG 4.17Å
165F85.2Confident84.8Confident15 Ų1532.9 Ų32.97%0.06618%0.184CC..Hα-helixtrans-63.3-47177.1174.8-89.9000111.2Y156 R161 P162 A163 L167 E168 C169 Q309 P311Y156-F165 AromaticContact CD1-CE1 3.97Å; Y156-F165 HydrophobicContact CD1-CE1 3.97Å; Y156-F165 HydrophobicContact CD1-CZ 4.5Å; Y156-F165 HydrophobicContact CD2-CE1 4.26Å; Y156-F165 HydrophobicContact CE1-CE1 4.21Å; Y156-F165 HydrophobicContact CE1-CZ 4.31Å; Y156-F165 HydrophobicContact CE2-CE1 4.48Å; Y156-F165 HydrophobicContact CG-CE1 4.01Å; R161-F165 HydrophobicContact CB-CD1 4.03Å; R161-F165 HydrophobicContact CG-CD1 4.29Å; R161-F165 HydrophobicContact CG-CE1 4.37Å; P162-F165 HydrophobicContact CB-CB 4.08Å; P162-F165 WeakPolarHBondContact O-CB 3.32Å; P162-F165 PolarHBondContact O-N 3.28Å; P162-F165 VanDerWaalsContact O-N 3.11Å; A163-F165 VanDerWaalsContact C-N 3.29Å; A163-F165 PolarHBondContact O-N 2.75Å; F165-L167 VanDerWaalsContact C-N 3.34Å; F165-L167 PolarHBondContact O-N 2.97Å; F165-E168 PolarHBondContact O-N 3.43Å; F165-C169 PolarHBondContact O-N 3.1Å; F165-C169 PolarHBondContact O-SG 2.83Å; F165-C169 VanDerWaalsContact O-SG 3.35Å; F165-Q309 HydrophobicContact CE2-CB 4.48Å; F165-Q309 HydrophobicContact CE2-CG 4.44Å; F165-Q309 WeakPolarHBondContact CE2-O 3.03Å; F165-P311 HydrophobicContact CD2-CB 4.37Å; F165-P311 HydrophobicContact CE2-CB 4.05Å
166I87.3Confident85Confident1 Ų130.4 Ų30.41%0.00517%0.172CC..Hα-helixtrans-61.1-45.2178.4-66.5173.4000110.8I136 I153 R161 P162 A163 E168 C169 L170I136-I166 HydrophobicContact CD1-CD1 3.92Å; I136-I166 HydrophobicContact CD1-CG2 3.96Å; I136-I166 HydrophobicContact CG1-CG2 4.44Å; I153-I166 HydrophobicContact CG2-CG2 4.22Å; R161-I166 HydrophobicContact CB-CD1 4.21Å; R161-I166 HydrophobicContact CB-CG1 4.1Å; P162-I166 PolarHBondContact O-N 2.83Å; P162-I166 VanDerWaalsContact O-N 3.08Å; A163-I166 PolarHBondContact O-N 3.29Å; I166-E168 VanDerWaalsContact C-N 3.34Å; I166-C169 WeakPolarHBondContact O-CB 3.44Å; I166-C169 PolarHBondContact O-N 2.82Å; I166-L170 HydrophobicContact CG2-CD1 4.25Å; I166-L170 WeakPolarHBondContact O-CG 3.31Å; I166-L170 PolarHBondContact O-N 2.7Å
167L90.2Very high85Confident2 Ų229.8 Ų29.81%0.0117%0.171CC..Hα-helixtrans-69.7-31-178.7-67.3172.3000112.4L34 L38 L131 L139 A163 L164 F165 L170 G171 L172 I173L34-L167 HydrophobicContact CD2-CD1 4.1Å; L34-L167 HydrophobicContact CD2-CD2 3.68Å; L34-L167 HydrophobicContact CD2-CG 4.46Å; L38-L167 HydrophobicContact CD2-CD1 4.34Å; L131-L167 HydrophobicContact CD1-CD1 4.21Å; L131-L167 HydrophobicContact CD1-CD2 4.16Å; L131-L167 HydrophobicContact CD1-CG 4.11Å; L139-L167 HydrophobicContact CD2-CD2 3.55Å; A163-L167 WeakPolarHBondContact O-CB 3.4Å; A163-L167 WeakPolarHBondContact O-CG 3.32Å; A163-L167 PolarHBondContact O-N 3.43Å; L164-L167 PolarHBondContact O-N 3.34Å; F165-L167 VanDerWaalsContact C-N 3.34Å; F165-L167 PolarHBondContact O-N 2.97Å; L167-L170 HydrophobicContact CD2-CD1 4.46Å; L167-L170 PolarHBondContact O-N 3.18Å; L167-G171 PolarHBondContact O-N 3.04Å; L167-L172 HydrophobicContact CD2-CD1 4.02Å; L167-L172 PolarHBondContact O-N 2.77Å; L167-I173 HydrophobicContact CB-CD1 3.18Å; L167-I173 HydrophobicContact CB-CG1 3.98Å; L167-I173 HydrophobicContact CD1-CD1 3.66Å; L167-I173 HydrophobicContact CG-CD1 4.05Å
168E89.1Confident85.1Confident97 Ų9730.4 Ų30.445%0.45317%0.172SC..Hα-helixtrans-69.6-41.9170.4-171.1174.1-173.200111.4L164 F165 I166 L170 G171 P311L164-E168 VanDerWaalsContact O-CB 3.28Å; L164-E168 WeakPolarHBondContact O-CB 3.45Å; L164-E168 PolarHBondContact O-N 2.75Å; F165-E168 PolarHBondContact O-N 3.43Å; I166-E168 VanDerWaalsContact C-N 3.34Å; E168-L170 VanDerWaalsContact C-N 3.25Å; E168-L170 PolarHBondContact O-N 3.47Å; E168-G171 WeakPolarHBondContact O-CA 3.46Å; E168-G171 PolarHBondContact O-N 2.8Å; E168-P311 HydrophobicContact CG-CB 4.36Å; E168-P311 HydrophobicContact CG-CG 3.98Å
169C85.7Confident85.2Confident35 Ų3525.7 Ų25.724%0.23615%0.148CC..Hα-helixtrans-60.5-33.7172.1-72.20000112.9I153 F165 I166 G171 P311I153-C169 HydrophobicContact CD1-CB 4.04Å; F165-C169 PolarHBondContact O-N 3.1Å; F165-C169 PolarHBondContact O-SG 2.83Å; F165-C169 VanDerWaalsContact O-SG 3.35Å; I166-C169 WeakPolarHBondContact O-CB 3.44Å; I166-C169 PolarHBondContact O-N 2.82Å; C169-G171 PolarHBondContact O-N 2.88Å; C169-P311 VanDerWaalsContact SG-CB 3.58Å
170L87.5Confident85.5Confident14 Ų1424.4 Ų24.47%0.07314%0.139CC..THydrogen-bonded Turntrans-75-7.8173.2-70.3171.5000113.2V140 L149 I153 I166 L167 E168 L172V140-L170 HydrophobicContact CG2-CD2 4.48Å; L149-L170 HydrophobicContact CB-CD2 4.11Å; I153-L170 HydrophobicContact CD1-CD2 3.49Å; I153-L170 VanDerWaalsContact CD1-CD2 3.49Å; I153-L170 HydrophobicContact CD1-CG 3.85Å; I166-L170 HydrophobicContact CG2-CD1 4.25Å; I166-L170 WeakPolarHBondContact O-CG 3.31Å; I166-L170 PolarHBondContact O-N 2.7Å; L167-L170 HydrophobicContact CD2-CD1 4.46Å; L167-L170 PolarHBondContact O-N 3.18Å; E168-L170 VanDerWaalsContact C-N 3.25Å; E168-L170 PolarHBondContact O-N 3.47Å; L170-L172 HydrophobicContact CB-CD1 4.06Å; L170-L172 HydrophobicContact CB-CG 3.96Å; L170-L172 HydrophobicContact CD1-CD1 4.12Å; L170-L172 PolarHBondContact O-N 3.41Å
171G86.1Confident85.5Confident32 Ų3221.9 Ų21.933%0.3313%0.125SC..THydrogen-bonded Turntrans70.917.1-176.700000114P13 L167 E168 C169P13-G171 WeakPolarHBondContact CG-O 3.43Å; L167-G171 PolarHBondContact O-N 3.04Å; E168-G171 WeakPolarHBondContact O-CA 3.46Å; E168-G171 PolarHBondContact O-N 2.8Å; C169-G171 PolarHBondContact O-N 2.88Å
172L88.4Confident85.3Confident0 Ų027.1 Ų27.10%015%0.148CC..  trans-82.4-22-177.4-68.5177.9000113.1P13 V30 L34 L139 L143 L145 L167 L170P13-L172 WeakPolarHBondContact CD-O 3.29Å; V30-L172 HydrophobicContact CG1-CD2 3.95Å; V30-L172 HydrophobicContact CG2-CD2 4.42Å; L34-L172 HydrophobicContact CD1-CB 4.42Å; L34-L172 HydrophobicContact CD2-CB 4.44Å; L34-L172 HydrophobicContact CD2-CD1 4.21Å; L139-L172 HydrophobicContact CD2-CD1 3.87Å; L139-L172 HydrophobicContact CG-CD1 4.41Å; L143-L172 HydrophobicContact CD1-CD1 3.96Å; L143-L172 HydrophobicContact CD1-CD2 3.86Å; L145-L172 HydrophobicContact CD1-CD1 4.26Å; L145-L172 HydrophobicContact CD1-CD2 4.13Å; L145-L172 HydrophobicContact CD1-CG 4.45Å; L167-L172 HydrophobicContact CD2-CD1 4.02Å; L167-L172 PolarHBondContact O-N 2.77Å; L170-L172 HydrophobicContact CB-CD1 4.06Å; L170-L172 HydrophobicContact CB-CG 3.96Å; L170-L172 HydrophobicContact CD1-CD1 4.12Å; L170-L172 PolarHBondContact O-N 3.41Å
173I88.6Confident85.1Confident15 Ų1532.2 Ų32.28%0.07717%0.172CC..  trans-123.3140.8-177.9-60.2163.7000108.9L10 L164 L167L10-I173 HydrophobicContact CD1-CB 4.48Å; L10-I173 HydrophobicContact CD1-CD1 3.88Å; L10-I173 HydrophobicContact CD1-CG1 4.13Å; L10-I173 HydrophobicContact CD1-CG2 3.53Å; L10-I173 HydrophobicContact CD2-CD1 3.66Å; L10-I173 HydrophobicContact CD2-CG1 3.74Å; L10-I173 HydrophobicContact CG-CB 4.5Å; L10-I173 HydrophobicContact CG-CD1 4.01Å; L10-I173 HydrophobicContact CG-CG1 3.87Å; L10-I173 HydrophobicContact CG-CG2 3.85Å; L164-I173 HydrophobicContact CD2-CD1 4.07Å; L167-I173 HydrophobicContact CB-CD1 3.18Å; L167-I173 HydrophobicContact CB-CG1 3.98Å; L167-I173 HydrophobicContact CD1-CD1 3.66Å; L167-I173 HydrophobicContact CG-CD1 4.05Å
174S84.1Confident84.8Confident45 Ų4535.8 Ų35.832%0.31519%0.189SC..SBendtrans-107-43.1173.155.30000112.6T11T11-S174 PolarHBondContact O-N 2.77Å; T11-S174 PolarHBondContact O-OG 3.45Å; T11-S174 VanDerWaalsContact O-OG 3.05Å; T11-S174 PolarHBondContact OG1-OG 3.32Å
175N83.1Confident84.7Confident41 Ų4136.3 Ų36.322%0.21919%0.189CC..EExtended strand (participates in β ladder)trans-145.6145179.7-75.7-56.8000111.8L10 T11 T177 K589L10-N175 WeakPolarHBondContact CA-O 3.41Å; T11-N175 PolarHBondContact N-O 2.82Å; T11-N175 WeakPolarHBondContact OG1-CB 3.49Å; T11-N175 PolarHBondContact OG1-N 2.72Å; T11-N175 VanDerWaalsContact OG1-N 3.13Å; T11-N175 PolarHBondContact OG1-O 3.13Å; N175-T177 HydrophobicContact CB-CG2 4.31Å; N175-K589 PolarHBondContact OD1-NZ 3.45Å
176F86.1Confident84.7Confident16 Ų1643.6 Ų43.67%0.0722%0.216CC..EExtended strand (participates in β ladder)trans-114.3114.3166.9175.5-108000107.7F8 C9 L10 I95 E123 I126 L164F8-F176 HydrophobicContact CB-CD2 4.34Å; F8-F176 HydrophobicContact CB-CE2 3.47Å; F8-F176 VanDerWaalsContact CB-CE2 3.47Å; F8-F176 HydrophobicContact CB-CZ 3.8Å; F8-F176 AromaticContact CD1-CE1 3.73Å; F8-F176 HydrophobicContact CD1-CE1 3.73Å; F8-F176 AromaticContact CD1-CE2 3.81Å; F8-F176 HydrophobicContact CD1-CE2 3.81Å; F8-F176 AromaticContact CD1-CZ 3.21Å; F8-F176 HydrophobicContact CD1-CZ 3.21Å; F8-F176 HydrophobicContact CD2-CZ 4.37Å; F8-F176 HydrophobicContact CE1-CE1 4.06Å; F8-F176 AromaticContact CE1-CZ 3.79Å; F8-F176 HydrophobicContact CE1-CZ 3.79Å; F8-F176 HydrophobicContact CG-CE1 4.48Å; F8-F176 AromaticContact CG-CE2 3.79Å; F8-F176 HydrophobicContact CG-CE2 3.79Å; F8-F176 AromaticContact CG-CZ 3.55Å; F8-F176 HydrophobicContact CG-CZ 3.55Å; C9-F176 WeakPolarHBondContact O-CA 3.41Å; L10-F176 HydrophobicContact CD1-CB 4.04Å; L10-F176 HydrophobicContact CD1-CD2 3.85Å; L10-F176 HydrophobicContact CD1-CG 4.42Å; I95-F176 HydrophobicContact CD1-CE2 4.21Å; E123-F176 HydrophobicContact CG-CE1 4.11Å; I126-F176 HydrophobicContact CB-CZ 4.06Å; I126-F176 HydrophobicContact CD1-CE2 4.09Å; I126-F176 HydrophobicContact CD1-CZ 3.74Å; I126-F176 HydrophobicContact CG2-CE2 3.78Å; I126-F176 HydrophobicContact CG2-CZ 3.76Å; L164-F176 HydrophobicContact CD1-CD1 4.25Å; L164-F176 HydrophobicContact CD1-CD2 4.4Å; L164-F176 HydrophobicContact CD1-CG 4.17Å
177T83.7Confident84.5Confident9 Ų947 Ų476%0.05524%0.24CC..EExtended strand (participates in β ladder)trans-129.8148.3-176.857.80000111.4F8 C9 N175F8-T177 CarbonylContact C-O 2.99Å; F8-T177 VanDerWaalsContact CA-O 3.3Å; F8-T177 WeakPolarHBondContact CA-O 3.25Å; C9-T177 PolarHBondContact N-O 3.28Å; C9-T177 PolarHBondContact O-N 3.23Å; N175-T177 HydrophobicContact CB-CG2 4.31Å
178R85Confident84.3Confident23 Ų2348 Ų489%0.08725%0.245CC..EExtended strand (participates in β ladder)trans-82.9140.3172.5-167.6175.16779.9-10.5109.2V6 F8 Y208 C587V6-R178 HydrophobicContact CG1-CG 4.39Å; F8-R178 HydrophobicContact CD1-CB 4.02Å; F8-R178 HydrophobicContact CD1-CG 4.2Å; F8-R178 HydrophobicContact CE1-CB 3.99Å; F8-R178 HydrophobicContact CE1-CG 3.95Å; F8-R178 HydrophobicContact CZ-CG 4.45Å; R178-Y208 PolarHBondContact NH2-O 2.93Å; R178-C587 HydrophobicContact CB-CB 4.17Å; R178-C587 PolarHBondContact NE-SG 2.73Å; R178-C587 VanDerWaalsContact NE-SG 3.37Å; R178-C587 PolarHBondContact NH2-SG 3.07Å; R178-C587 WeakPolarHBondContact O-CB 3.29Å
179S82.1Confident84Confident8 Ų845.6 Ų45.66%0.05623%0.232CC..PPolyproline II helixtrans-87149.1171.2168.30000110.3R7 D181 E529R7-S179 PolarHBondContact O-N 3.05Å; S179-D181 PolarHBondContact O-N 3.28Å; S179-E529 WeakPolarHBondContact CA-OE2 3.32Å; S179-E529 WeakPolarHBondContact CB-OE2 3.49Å; S179-E529 PolarHBondContact OG-OE2 3.4Å
180H84.2Confident83.8Confident7 Ų747.3 Ų47.33%0.03224%0.241CC..PPolyproline II helixtrans-71.6126.7179.7-72.4-73.1000111.3K182 Y208 F209 E529 T585 C587H180-K182 PolarHBondContact O-N 2.88Å; H180-Y208 WeakPolarHBondContact CA-OH 3.49Å; H180-Y208 WeakPolarHBondContact CB-OH 3.49Å; H180-Y208 AromaticContact ND1-CE1 3.51Å; H180-Y208 AromaticContact ND1-CZ 3.7Å; H180-Y208 PolarHBondContact ND1-OH 2.91Å; H180-F209 AromaticContact CE1-CE1 3.95Å; H180-E529 PolarHBondContact N-OE2 3.36Å; H180-T585 PolarHBondContact NE2-O 2.94Å; H180-C587 PolarHBondContact NE2-N 3.49Å
181D79.7Confident83.4Confident56 Ų5648.8 Ų48.830%0.29925%0.249SC..PPolyproline II helixtrans-70.1118.5161.3-176.1-10.7000109.1S179 M183 E184 R185 Y208S179-D181 PolarHBondContact O-N 3.28Å; D181-M183 PolarHBondContact OD1-N 2.98Å; D181-E184 HydrophobicContact CB-CB 3.93Å; D181-R185 WeakPolarHBondContact O-CB 3.1Å; D181-R185 PolarHBondContact O-N 3.24Å; D181-Y208 PolarHBondContact N-OH 3.45Å; D181-Y208 PolarHBondContact O-OH 2.74Å
182K78.1Confident82.7Confident114 Ų11449.1 Ų49.150%0.49624%0.24SC..Hα-helixtrans-63.8-40.4178.8-174.3-177.9179.4-175.50112.5H180 R186H180-K182 PolarHBondContact O-N 2.88Å; K182-R186 WeakPolarHBondContact O-CB 3.2Å; K182-R186 PolarHBondContact O-N 3.39Å
183M79.4Confident81.5Confident124 Ų12455.2 Ų55.261%0.61127%0.267SS*.Hα-helixtrans-70.9-49.3-176.7-72.3-173.917800110T3 D181 R186 S187T3-M183 HydrophobicContact CG2-CE 4.49Å; D181-M183 PolarHBondContact OD1-N 2.98Å; M183-R186 PolarHBondContact O-N 3.06Å; M183-S187 VanDerWaalsContact O-CB 3.3Å; M183-S187 WeakPolarHBondContact O-CB 3.46Å; M183-S187 PolarHBondContact O-N 3.42Å
184E80.5Confident80.2Confident76 Ų7658.8 Ų58.836%0.35529%0.293SS..Hα-helixtrans-63.6-47.3177.6-169.3177-159.800111.8D181 R186 S187 I188 Y208D181-E184 HydrophobicContact CB-CB 3.93Å; E184-R186 VanDerWaalsContact C-N 3.32Å; E184-R186 PolarHBondContact O-N 3.04Å; E184-S187 WeakPolarHBondContact O-CB 3.33Å; E184-S187 PolarHBondContact O-N 3.07Å; E184-S187 VanDerWaalsContact O-N 3.17Å; E184-I188 HydrophobicContact CG-CD1 3.92Å; E184-I188 WeakPolarHBondContact O-CG1 3.18Å; E184-I188 PolarHBondContact O-N 3.42Å; E184-Y208 HydrophobicContact CB-CE2 4.14Å; E184-Y208 VanDerWaalsContact CD-CD2 3.49Å; E184-Y208 HydrophobicContact CG-CD2 3.86Å; E184-Y208 HydrophobicContact CG-CE2 3.97Å; E184-Y208 WeakPolarHBondContact OE2-CD2 3.3Å; E184-Y208 WeakPolarHBondContact OE2-CE2 3.38Å
185R85.3Confident79.2Confident33 Ų3358.9 Ų58.913%0.12529%0.292CS..Hα-helixtrans-53.4-49.2173.6166.4162.464.5176-9.9111.8D181 S187 W189 E529 F582D181-R185 WeakPolarHBondContact O-CB 3.1Å; D181-R185 PolarHBondContact O-N 3.24Å; R185-S187 VanDerWaalsContact C-N 3.34Å; R185-W189 VanDerWaalsContact O-CB 3.27Å; R185-W189 WeakPolarHBondContact O-CB 3.24Å; R185-W189 PolarHBondContact O-N 3.11Å; R185-E529 IonicContact NH2-OE1 3.91Å; R185-E529 PolarHBondContact NH2-OE1 3.35Å; R185-F582 HydrophobicContact CB-CD1 4.26Å; R185-F582 HydrophobicContact CB-CE1 4.26Å; R185-F582 WeakPolarHBondContact CD-O 3.25Å; R185-F582 HydrophobicContact CG-CD1 3.46Å; R185-F582 VanDerWaalsContact CG-CD1 3.46Å; R185-F582 HydrophobicContact CG-CE1 3.9Å; R185-F582 HydrophobicContact CG-CG 4.44Å; R185-F582 PolarHBondContact NH1-O 3.1Å
186R84.7Confident78.4Confident168 Ų16865.6 Ų65.663%0.63433%0.327SS*.Hα-helixtrans-66.2-40.9-178.7-171.6175.6-174.3179.92.6110.8K182 M183 E184 W189 T190K182-R186 WeakPolarHBondContact O-CB 3.2Å; K182-R186 PolarHBondContact O-N 3.39Å; M183-R186 PolarHBondContact O-N 3.06Å; E184-R186 VanDerWaalsContact C-N 3.32Å; E184-R186 PolarHBondContact O-N 3.04Å; R186-W189 PolarHBondContact O-N 2.95Å; R186-T190 HydrophobicContact CG-CG2 4.26Å; R186-T190 WeakPolarHBondContact O-CB 3.33Å; R186-T190 WeakPolarHBondContact O-CG2 3.22Å; R186-T190 PolarHBondContact O-N 3.5Å; R186-T190 PolarHBondContact O-OG1 2.97Å
187S84.2Confident78.1Confident72 Ų7269.9 Ų69.950%0.50335%0.351SS..Hα-helixtrans-58.4-52.5177-179.20000111.4M183 E184 R185 W189 T190 D191M183-S187 VanDerWaalsContact O-CB 3.3Å; M183-S187 WeakPolarHBondContact O-CB 3.46Å; M183-S187 PolarHBondContact O-N 3.42Å; E184-S187 WeakPolarHBondContact O-CB 3.33Å; E184-S187 PolarHBondContact O-N 3.07Å; E184-S187 VanDerWaalsContact O-N 3.17Å; R185-S187 VanDerWaalsContact C-N 3.34Å; S187-W189 VanDerWaalsContact C-N 3.33Å; S187-W189 PolarHBondContact O-N 3.44Å; S187-T190 PolarHBondContact O-N 3.07Å; S187-T190 PolarHBondContact O-OG1 2.99Å; S187-D191 VanDerWaalsContact O-CB 3.25Å; S187-D191 WeakPolarHBondContact O-CB 3.12Å; S187-D191 PolarHBondContact O-N 3.26Å
188I84Confident78.1Confident23 Ų2373.7 Ų73.712%0.11837%0.374CS..Hα-helixtrans-63-42.1179.4-61.3166.3000110.7E184 D191 R192 K204 Y208 F582E184-I188 HydrophobicContact CG-CD1 3.92Å; E184-I188 WeakPolarHBondContact O-CG1 3.18Å; E184-I188 PolarHBondContact O-N 3.42Å; I188-D191 PolarHBondContact O-N 2.89Å; I188-R192 PolarHBondContact O-N 3.13Å; I188-R192 VanDerWaalsContact O-N 3.17Å; I188-K204 HydrophobicContact CG2-CB 4.46Å; I188-Y208 HydrophobicContact CD1-CD2 3.98Å; I188-Y208 HydrophobicContact CD1-CG 3.92Å; I188-F582 HydrophobicContact CB-CZ 4.06Å; I188-F582 HydrophobicContact CG2-CE2 4.36Å; I188-F582 HydrophobicContact CG2-CZ 3.68Å
189W84.1Confident78.2Confident47 Ų4774.9 Ų74.918%0.17838%0.38CS..Hα-helixtrans-61.6-49.5175.8-178.9-95.7000111.6R185 R186 S187 D191 R192 F193 V578 F579 F582 W583R185-W189 VanDerWaalsContact O-CB 3.27Å; R185-W189 WeakPolarHBondContact O-CB 3.24Å; R185-W189 PolarHBondContact O-N 3.11Å; R186-W189 PolarHBondContact O-N 2.95Å; S187-W189 VanDerWaalsContact C-N 3.33Å; S187-W189 PolarHBondContact O-N 3.44Å; W189-D191 PolarHBondContact O-N 2.67Å; W189-R192 WeakPolarHBondContact O-CB 3.5Å; W189-R192 PolarHBondContact O-N 3.37Å; W189-F193 AromaticContact CD1-CE2 3.99Å; W189-F193 HydrophobicContact CD2-CD2 4.38Å; W189-F193 AromaticContact CD2-CE2 3.68Å; W189-F193 HydrophobicContact CD2-CE2 3.68Å; W189-F193 AromaticContact CE2-CE2 3.15Å; W189-F193 AromaticContact CE2-CZ 3.87Å; W189-F193 HydrophobicContact CE3-CE2 4.21Å; W189-F193 HydrophobicContact CG-CD2 4.47Å; W189-F193 HydrophobicContact CG-CE2 4.21Å; W189-F193 AromaticContact CH2-CE2 3.82Å; W189-F193 HydrophobicContact CH2-CE2 3.82Å; W189-F193 AromaticContact CH2-CZ 3.89Å; W189-F193 HydrophobicContact CH2-CZ 3.89Å; W189-F193 HydrophobicContact CZ2-CD2 4.42Å; W189-F193 AromaticContact CZ2-CE2 3.24Å; W189-F193 HydrophobicContact CZ2-CE2 3.24Å; W189-F193 AromaticContact CZ2-CZ 3.44Å; W189-F193 HydrophobicContact CZ2-CZ 3.44Å; W189-F193 VanDerWaalsContact CZ2-CZ 3.44Å; W189-F193 HydrophobicContact CZ3-CE2 4.27Å; W189-F193 AromaticContact NE1-CD2 3.77Å; W189-F193 AromaticContact NE1-CE2 3.36Å; W189-F193 WeakPolarHBondContact O-CD2 3.3Å; W189-F193 PolarHBondContact O-N 3.3Å; W189-V578 HydrophobicContact CE3-CG1 4.39Å; W189-V578 HydrophobicContact CZ3-CG1 4.04Å; W189-F579 HydrophobicContact CH2-CB 4.42Å; W189-F579 AromaticContact CH2-CD2 3.96Å; W189-F579 HydrophobicContact CH2-CD2 3.96Å; W189-F582 HydrophobicContact CE3-CB 4.32Å; W189-F582 AromaticContact CE3-CD2 3.77Å; W189-F582 HydrophobicContact CE3-CD2 3.77Å; W189-F582 HydrophobicContact CE3-CE2 4.44Å; W189-F582 HydrophobicContact CE3-CG 4.23Å; W189-F582 HydrophobicContact CZ3-CD2 4.25Å; W189-W583 AromaticContact CD2-NE1 3.73Å; W189-W583 AromaticContact CE2-NE1 3.7Å; W189-W583 AromaticContact CE3-NE1 3.76Å; W189-W583 AromaticContact CH2-NE1 3.83Å; W189-W583 AromaticContact CZ2-NE1 3.77Å; W189-W583 AromaticContact CZ3-NE1 3.8Å
190T82Confident78.4Confident71 Ų7175.3 Ų75.344%0.43638%0.382SS..Hα-helixtrans-66.3-36.8179.749.10000112.8R186 S187 R192 F193 S194R186-T190 HydrophobicContact CG-CG2 4.26Å; R186-T190 WeakPolarHBondContact O-CB 3.33Å; R186-T190 WeakPolarHBondContact O-CG2 3.22Å; R186-T190 PolarHBondContact O-N 3.5Å; R186-T190 PolarHBondContact O-OG1 2.97Å; S187-T190 PolarHBondContact O-N 3.07Å; S187-T190 PolarHBondContact O-OG1 2.99Å; T190-R192 VanDerWaalsContact C-N 3.3Å; T190-R192 PolarHBondContact O-N 3.13Å; T190-F193 PolarHBondContact O-N 2.72Å; T190-S194 WeakPolarHBondContact O-CB 3.35Å; T190-S194 PolarHBondContact O-N 3.35Å; T190-S194 PolarHBondContact O-OG 3.19Å
191D79.1Confident78.5Confident44 Ų4478.4 Ų78.424%0.23540%0.399CS..Hα-helixtrans-56.4-46.4175.6179.881.9000110.4S187 I188 W189 F193 S194 T195 K204S187-D191 VanDerWaalsContact O-CB 3.25Å; S187-D191 WeakPolarHBondContact O-CB 3.12Å; S187-D191 PolarHBondContact O-N 3.26Å; I188-D191 PolarHBondContact O-N 2.89Å; W189-D191 PolarHBondContact O-N 2.67Å; D191-F193 PolarHBondContact O-N 3.25Å; D191-S194 WeakPolarHBondContact CA-OG 3.18Å; D191-S194 PolarHBondContact O-N 3.28Å; D191-S194 VanDerWaalsContact O-N 3.08Å; D191-S194 PolarHBondContact O-OG 3.29Å; D191-T195 WeakPolarHBondContact O-CG2 3.5Å; D191-T195 PolarHBondContact O-N 3.41Å; D191-T195 PolarHBondContact O-OG1 3.09Å; D191-K204 IonicContact OD1-NZ 3.55Å; D191-K204 PolarHBondContact OD1-NZ 3.13Å; D191-K204 IonicContact OD2-NZ 2.77Å; D191-K204 PolarHBondContact OD2-NZ 2.96Å
192R71Confident78.9Confident39 Ų3976.8 Ų76.815%0.14739%0.392CS..Hα-helixtrans-53.6-49174.7180-167.9-175.5-140.421.4113I188 W189 T190 S194 T195 H575I188-R192 PolarHBondContact O-N 3.13Å; I188-R192 VanDerWaalsContact O-N 3.17Å; W189-R192 WeakPolarHBondContact O-CB 3.5Å; W189-R192 PolarHBondContact O-N 3.37Å; T190-R192 VanDerWaalsContact C-N 3.3Å; T190-R192 PolarHBondContact O-N 3.13Å; R192-S194 VanDerWaalsContact C-N 3.29Å; R192-S194 PolarHBondContact O-N 3.22Å; R192-T195 VanDerWaalsContact O-O 3.09Å; R192-T195 PolarHBondContact O-OG1 3.3Å; R192-T195 VanDerWaalsContact O-OG1 3.11Å; R192-H575 PolarHBondContact NH2-ND1 3.32Å; R192-H575 PolarHBondContact NH2-O 2.74Å
193F63.2Low79.3Confident129 Ų12973.8 Ų73.857%0.56638%0.38SS*.Hα-helixtrans-74.1-21.6-179.7-71.2-83.6000113.1W189 T190 D191W189-F193 AromaticContact CD1-CE2 3.99Å; W189-F193 HydrophobicContact CD2-CD2 4.38Å; W189-F193 AromaticContact CD2-CE2 3.68Å; W189-F193 HydrophobicContact CD2-CE2 3.68Å; W189-F193 AromaticContact CE2-CE2 3.15Å; W189-F193 AromaticContact CE2-CZ 3.87Å; W189-F193 HydrophobicContact CE3-CE2 4.21Å; W189-F193 HydrophobicContact CG-CD2 4.47Å; W189-F193 HydrophobicContact CG-CE2 4.21Å; W189-F193 AromaticContact CH2-CE2 3.82Å; W189-F193 HydrophobicContact CH2-CE2 3.82Å; W189-F193 AromaticContact CH2-CZ 3.89Å; W189-F193 HydrophobicContact CH2-CZ 3.89Å; W189-F193 HydrophobicContact CZ2-CD2 4.42Å; W189-F193 AromaticContact CZ2-CE2 3.24Å; W189-F193 HydrophobicContact CZ2-CE2 3.24Å; W189-F193 AromaticContact CZ2-CZ 3.44Å; W189-F193 HydrophobicContact CZ2-CZ 3.44Å; W189-F193 VanDerWaalsContact CZ2-CZ 3.44Å; W189-F193 HydrophobicContact CZ3-CE2 4.27Å; W189-F193 AromaticContact NE1-CD2 3.77Å; W189-F193 AromaticContact NE1-CE2 3.36Å; W189-F193 WeakPolarHBondContact O-CD2 3.3Å; W189-F193 PolarHBondContact O-N 3.3Å; T190-F193 PolarHBondContact O-N 2.72Å; D191-F193 PolarHBondContact O-N 3.25Å
194S60.3Low79.5Confident89 Ų8971.1 Ų71.162%0.62237%0.365SS*.Hα-helixtrans-80.5-30.1176.172.60000112.8T190 D191 R192T190-S194 WeakPolarHBondContact O-CB 3.35Å; T190-S194 PolarHBondContact O-N 3.35Å; T190-S194 PolarHBondContact O-OG 3.19Å; D191-S194 WeakPolarHBondContact CA-OG 3.18Å; D191-S194 PolarHBondContact O-N 3.28Å; D191-S194 VanDerWaalsContact O-N 3.08Å; D191-S194 PolarHBondContact O-OG 3.29Å; R192-S194 VanDerWaalsContact C-N 3.29Å; R192-S194 PolarHBondContact O-N 3.22Å
195T64.7Low79.9Confident47 Ų4767.7 Ų67.729%0.28835%0.349SS..SBendtrans-83.5126.4175.958.90000109.9D191 R192 N197D191-T195 WeakPolarHBondContact O-CG2 3.5Å; D191-T195 PolarHBondContact O-N 3.41Å; D191-T195 PolarHBondContact O-OG1 3.09Å; R192-T195 VanDerWaalsContact O-O 3.09Å; R192-T195 PolarHBondContact O-OG1 3.3Å; R192-T195 VanDerWaalsContact O-OG1 3.11Å; T195-N197 PolarHBondContact O-N 3.29Å
196L66.1Low79.9Confident182 Ų18267.2 Ų67.295%0.95335%0.347SS*.  trans-67.721169.2-69.9167.2000113V198L196-V198 PolarHBondContact O-N 3.39Å
197N78.7Confident79.7Confident107 Ų10762.5 Ų62.557%0.57233%0.332SS*.  trans-74.4126.3-179-72.5-25.5000109.5T195 F199T195-N197 PolarHBondContact O-N 3.29Å; N197-F199 PolarHBondContact O-N 3.13Å
198V83.1Confident79.6Confident89 Ų8959.4 Ų59.454%0.53931%0.31SS..SBendtrans-57.3-36.9176.5179.40000111.4L196 F571L196-V198 PolarHBondContact O-N 3.39Å; V198-F571 HydrophobicContact CG1-CD2 4.36Å; V198-F571 HydrophobicContact CG1-CE2 3.72Å
199F87.6Confident79.7Confident48 Ų4858.4 Ų58.421%0.21130%0.304CS..SBendtrans-114.2146.4-178.7-61.8-73000111.7N197 K221 C224 F571 I574N197-F199 PolarHBondContact O-N 3.13Å; F199-K221 HydrophobicContact CB-CD 4.34Å; F199-K221 HydrophobicContact CB-CG 4.26Å; F199-K221 HydrophobicContact CD1-CG 4.46Å; F199-K221 HydrophobicContact CD2-CG 4Å; F199-K221 HydrophobicContact CE2-CG 4.48Å; F199-K221 HydrophobicContact CG-CB 4.44Å; F199-K221 HydrophobicContact CG-CG 3.98Å; F199-C224 HydrophobicContact CE1-CB 3.93Å; F199-C224 HydrophobicContact CZ-CB 3.68Å; F199-F571 HydrophobicContact CE1-CD2 4.45Å; F199-I574 HydrophobicContact CD1-CD1 3.74Å; F199-I574 HydrophobicContact CE1-CD1 3.71Å
200P86.5Confident79.6Confident16 Ų1656.6 Ų56.610%0.10430%0.301CS..  trans-64.4153.4174.729.9-35.7000111.4S202 L205 F217 I574 V578P200-S202 PolarHBondContact O-N 3.26Å; P200-L205 HydrophobicContact CB-CD1 3.9Å; P200-L205 HydrophobicContact CG-CD1 4.16Å; P200-F217 HydrophobicContact CG-CD1 4.19Å; P200-I574 HydrophobicContact CG-CG2 3.57Å; P200-V578 HydrophobicContact CB-CG2 4.12Å; P200-V578 HydrophobicContact CG-CG2 3.97Å
201N87.4Confident79.6Confident72 Ų7254.6 Ų54.639%0.38529%0.287SS..  trans-73.3100176.5-172.4-26000110.3E203 K204 L205N201-E203 PolarHBondContact O-N 3.05Å; N201-E203 WeakPolarHBondContact OD1-CB 3.18Å; N201-E203 PolarHBondContact OD1-N 3.18Å; N201-E203 VanDerWaalsContact OD1-N 3.07Å; N201-K204 HydrophobicContact CB-CB 4.26Å; N201-K204 HydrophobicContact CB-CD 4.33Å; N201-K204 HydrophobicContact CB-CG 4.3Å; N201-K204 PolarHBondContact O-N 3.28Å; N201-K204 PolarHBondContact OD1-N 2.77Å; N201-L205 WeakPolarHBondContact O-CG 3.46Å; N201-L205 PolarHBondContact O-N 3.07Å; N201-L205 VanDerWaalsContact O-N 3.11Å
202S87.8Confident79.7Confident22 Ų2253.7 Ų53.715%0.15428%0.284CS..Hα-helixtrans-59.7-30.9-179.1560000113.4P200 L205 R206 V218P200-S202 PolarHBondContact O-N 3.26Å; S202-L205 PolarHBondContact O-N 3.29Å; S202-R206 VanDerWaalsContact O-CB 3.3Å; S202-R206 WeakPolarHBondContact O-CB 3.39Å; S202-R206 PolarHBondContact O-N 3.47Å; S202-V218 WeakPolarHBondContact OG-CG2 3.37Å
203E84.8Confident80.6Confident51 Ų5151.8 Ų51.824%0.23828%0.277CS..Hα-helixtrans-71-42.2179.4-173.559-149.700111.4N201 L205 R206 Q207 W287N201-E203 PolarHBondContact O-N 3.05Å; N201-E203 WeakPolarHBondContact OD1-CB 3.18Å; N201-E203 PolarHBondContact OD1-N 3.18Å; N201-E203 VanDerWaalsContact OD1-N 3.07Å; E203-L205 VanDerWaalsContact C-N 3.35Å; E203-R206 WeakPolarHBondContact O-CB 3.32Å; E203-R206 PolarHBondContact O-N 3.03Å; E203-R206 IonicContact OE1-CZ 3.94Å; E203-R206 VanDerWaalsContact OE1-CZ 3.31Å; E203-R206 IonicContact OE1-NE 3.46Å; E203-R206 PolarHBondContact OE1-NE 3.37Å; E203-R206 VanDerWaalsContact OE1-NE 3.12Å; E203-R206 IonicContact OE1-NH2 3.56Å; E203-R206 PolarHBondContact OE1-NH2 2.91Å; E203-R206 IonicContact OE2-NE 3.48Å; E203-R206 PolarHBondContact OE2-NE 3.34Å; E203-Q207 VanDerWaalsContact O-CG 3.28Å; E203-Q207 WeakPolarHBondContact O-CG 3.37Å; E203-Q207 PolarHBondContact O-N 3.4Å; E203-W287 PolarHBondContact OE2-NE1 3.5Å
204K85.5Confident81.8Confident68 Ų6845.7 Ų45.730%0.29625%0.25SS..Hα-helixtrans-64.9-40173.9-71.5-174.3-179.5-179.10111.7I188 D191 N201 Q207 Y208I188-K204 HydrophobicContact CG2-CB 4.46Å; D191-K204 IonicContact OD1-NZ 3.55Å; D191-K204 PolarHBondContact OD1-NZ 3.13Å; D191-K204 IonicContact OD2-NZ 2.77Å; D191-K204 PolarHBondContact OD2-NZ 2.96Å; N201-K204 HydrophobicContact CB-CB 4.26Å; N201-K204 HydrophobicContact CB-CD 4.33Å; N201-K204 HydrophobicContact CB-CG 4.3Å; N201-K204 PolarHBondContact O-N 3.28Å; N201-K204 PolarHBondContact OD1-N 2.77Å; K204-Q207 PolarHBondContact O-N 2.82Å; K204-Y208 PolarHBondContact O-N 3.12Å
205L87.9Confident83.2Confident4 Ų442.2 Ų42.22%0.02122%0.224CC..Hα-helixtrans-63.5-42.4175.3-68.1174.7000111.4P200 N201 S202 E203 Y208 F209 F217 V578 F582P200-L205 HydrophobicContact CB-CD1 3.9Å; P200-L205 HydrophobicContact CG-CD1 4.16Å; N201-L205 WeakPolarHBondContact O-CG 3.46Å; N201-L205 PolarHBondContact O-N 3.07Å; N201-L205 VanDerWaalsContact O-N 3.11Å; S202-L205 PolarHBondContact O-N 3.29Å; E203-L205 VanDerWaalsContact C-N 3.35Å; L205-Y208 PolarHBondContact O-N 3.29Å; L205-F209 HydrophobicContact CB-CD2 4.38Å; L205-F209 HydrophobicContact CD2-CD2 4.06Å; L205-F209 HydrophobicContact CD2-CE2 3.76Å; L205-F209 WeakPolarHBondContact O-CB 3.42Å; L205-F209 WeakPolarHBondContact O-CD2 2.85Å; L205-F209 PolarHBondContact O-N 2.86Å; L205-F217 HydrophobicContact CB-CD2 4.34Å; L205-F217 HydrophobicContact CD1-CB 4.36Å; L205-F217 HydrophobicContact CD1-CD1 4.07Å; L205-F217 HydrophobicContact CD1-CD2 3.59Å; L205-F217 HydrophobicContact CD1-CE1 4.29Å; L205-F217 HydrophobicContact CD1-CE2 3.82Å; L205-F217 HydrophobicContact CD1-CG 3.73Å; L205-F217 HydrophobicContact CD1-CZ 4.17Å; L205-V578 HydrophobicContact CD1-CG2 4.04Å; L205-F582 HydrophobicContact CD2-CE2 3.76Å; L205-F582 HydrophobicContact CD2-CZ 4.02Å
206R85.3Confident84.5Confident24 Ų2440 Ų409%0.09121%0.21CC..Hα-helixtrans-60.6-47.8175.2-173.6-171.975.882.60.9112.3S202 E203 Y208 G210 D211S202-R206 VanDerWaalsContact O-CB 3.3Å; S202-R206 WeakPolarHBondContact O-CB 3.39Å; S202-R206 PolarHBondContact O-N 3.47Å; E203-R206 WeakPolarHBondContact O-CB 3.32Å; E203-R206 PolarHBondContact O-N 3.03Å; E203-R206 IonicContact OE1-CZ 3.94Å; E203-R206 VanDerWaalsContact OE1-CZ 3.31Å; E203-R206 IonicContact OE1-NE 3.46Å; E203-R206 PolarHBondContact OE1-NE 3.37Å; E203-R206 VanDerWaalsContact OE1-NE 3.12Å; E203-R206 IonicContact OE1-NH2 3.56Å; E203-R206 PolarHBondContact OE1-NH2 2.91Å; E203-R206 IonicContact OE2-NE 3.48Å; E203-R206 PolarHBondContact OE2-NE 3.34Å; R206-Y208 PolarHBondContact O-N 2.85Å; R206-G210 CarbonylContact O-C 3.48Å; R206-G210 VanDerWaalsContact O-CA 3.23Å; R206-G210 WeakPolarHBondContact O-CA 3.42Å; R206-G210 PolarHBondContact O-N 3.16Å; R206-D211 WeakPolarHBondContact CD-OD1 3.42Å; R206-D211 WeakPolarHBondContact CG-OD1 3.44Å; R206-D211 IonicContact CZ-OD1 3.04Å; R206-D211 IonicContact NH1-OD1 3.7Å; R206-D211 PolarHBondContact NH1-OD1 3.04Å
207Q79.5Confident85.8Confident69 Ų6931.6 Ų31.632%0.32217%0.166SC..Hα-helixtrans-57.8-37.1179.7-74.9174-4.100111.9E203 K204E203-Q207 VanDerWaalsContact O-CG 3.28Å; E203-Q207 WeakPolarHBondContact O-CG 3.37Å; E203-Q207 PolarHBondContact O-N 3.4Å; K204-Q207 PolarHBondContact O-N 2.82Å
208Y83.8Confident86.6Confident6 Ų627 Ų272%0.02414%0.142CC..Hα-helixtrans-82-59.4178.1-167.9-105.3000112.4R178 H180 D181 E184 I188 K204 L205 R206 F582R178-Y208 PolarHBondContact NH2-O 2.93Å; H180-Y208 WeakPolarHBondContact CA-OH 3.49Å; H180-Y208 WeakPolarHBondContact CB-OH 3.49Å; H180-Y208 AromaticContact ND1-CE1 3.51Å; H180-Y208 AromaticContact ND1-CZ 3.7Å; H180-Y208 PolarHBondContact ND1-OH 2.91Å; D181-Y208 PolarHBondContact N-OH 3.45Å; D181-Y208 PolarHBondContact O-OH 2.74Å; E184-Y208 HydrophobicContact CB-CE2 4.14Å; E184-Y208 VanDerWaalsContact CD-CD2 3.49Å; E184-Y208 HydrophobicContact CG-CD2 3.86Å; E184-Y208 HydrophobicContact CG-CE2 3.97Å; E184-Y208 WeakPolarHBondContact OE2-CD2 3.3Å; E184-Y208 WeakPolarHBondContact OE2-CE2 3.38Å; I188-Y208 HydrophobicContact CD1-CD2 3.98Å; I188-Y208 HydrophobicContact CD1-CG 3.92Å; K204-Y208 PolarHBondContact O-N 3.12Å; L205-Y208 PolarHBondContact O-N 3.29Å; R206-Y208 PolarHBondContact O-N 2.85Å; Y208-F582 HydrophobicContact CD1-CE1 4.23Å; Y208-F582 HydrophobicContact CE1-CE1 4.13Å
209F85.3Confident87.1Confident2 Ų223 Ų231%0.00912%0.117CC..Hα-helixtrans-86.6-15.9-169.5-64.2-67.9000114.6H180 L205 V213 L581 F582 P588H180-F209 AromaticContact CE1-CE1 3.95Å; L205-F209 HydrophobicContact CB-CD2 4.38Å; L205-F209 HydrophobicContact CD2-CD2 4.06Å; L205-F209 HydrophobicContact CD2-CE2 3.76Å; L205-F209 WeakPolarHBondContact O-CB 3.42Å; L205-F209 WeakPolarHBondContact O-CD2 2.85Å; L205-F209 PolarHBondContact O-N 2.86Å; F209-V213 HydrophobicContact CB-CB 3.84Å; F209-V213 HydrophobicContact CB-CG1 3.81Å; F209-V213 HydrophobicContact CB-CG2 4Å; F209-V213 HydrophobicContact CD2-CG1 4.31Å; F209-V213 HydrophobicContact CG-CG1 4.33Å; F209-L581 HydrophobicContact CD1-CD2 4.48Å; F209-L581 HydrophobicContact CD2-CD1 4.41Å; F209-L581 HydrophobicContact CE1-CB 3.92Å; F209-L581 WeakPolarHBondContact CE1-O 3.43Å; F209-L581 HydrophobicContact CE2-CB 4.09Å; F209-L581 HydrophobicContact CE2-CD1 4.44Å; F209-L581 HydrophobicContact CZ-CB 3.66Å; F209-F582 HydrophobicContact CE2-CD1 4.32Å; F209-F582 HydrophobicContact CE2-CD2 4.34Å; F209-F582 AromaticContact CE2-CE1 3.85Å; F209-F582 HydrophobicContact CE2-CE1 3.85Å; F209-F582 AromaticContact CE2-CE2 3.82Å; F209-F582 HydrophobicContact CE2-CE2 3.82Å; F209-F582 AromaticContact CE2-CZ 3.56Å; F209-F582 HydrophobicContact CE2-CZ 3.56Å; F209-F582 AromaticContact CZ-CD1 3.63Å; F209-F582 HydrophobicContact CZ-CD1 3.63Å; F209-F582 HydrophobicContact CZ-CD2 4.17Å; F209-F582 AromaticContact CZ-CE1 3.54Å; F209-F582 HydrophobicContact CZ-CE1 3.54Å; F209-F582 HydrophobicContact CZ-CE2 4.04Å; F209-F582 AromaticContact CZ-CG 3.98Å; F209-F582 HydrophobicContact CZ-CG 3.98Å; F209-F582 AromaticContact CZ-CZ 3.74Å; F209-F582 HydrophobicContact CZ-CZ 3.74Å; F209-P588 HydrophobicContact CB-CG 4.47Å; F209-P588 HydrophobicContact CD1-CG 4.18Å
210G81.4Confident87.4Confident10 Ų1020.8 Ų20.810%0.10311%0.107CC..  trans105.4178.3-177.900000113.9R206 G214R206-G210 CarbonylContact O-C 3.48Å; R206-G210 VanDerWaalsContact O-CA 3.23Å; R206-G210 WeakPolarHBondContact O-CA 3.42Å; R206-G210 PolarHBondContact O-N 3.16Å; G210-G214 PolarHBondContact O-N 2.9Å; G210-G214 VanDerWaalsContact O-N 3.07Å
211D81.8Confident87.7Confident28 Ų2824.8 Ų24.815%0.1512%0.123CC..Hα-helixtrans-72.8-36.3-168.4-68.1-40.7000113.9R206 V213 G214 F215 L593R206-D211 WeakPolarHBondContact CD-OD1 3.42Å; R206-D211 WeakPolarHBondContact CG-OD1 3.44Å; R206-D211 IonicContact CZ-OD1 3.04Å; R206-D211 IonicContact NH1-OD1 3.7Å; R206-D211 PolarHBondContact NH1-OD1 3.04Å; D211-V213 PolarHBondContact O-N 3.21Å; D211-G214 PolarHBondContact O-N 3.07Å; D211-F215 WeakPolarHBondContact O-CD2 3.44Å; D211-F215 PolarHBondContact O-N 2.96Å; D211-L593 HydrophobicContact CB-CB 4.25Å; D211-L593 HydrophobicContact CB-CD1 3.93Å; D211-L593 HydrophobicContact CB-CG 4.4Å; D211-L593 WeakPolarHBondContact OD2-CB 3.3Å
212S82.9Confident88.1Confident25 Ų2522.2 Ų22.218%0.17511%0.111CC..Hα-helixtrans-59.6-45.9177.653.50000111.9Y216 Y541S212-Y216 PolarHBondContact O-N 3.42Å; S212-Y541 PolarHBondContact O-OH 3.39Å
213V88.3Confident88.4Confident0 Ų021.1 Ų21.10%010%0.103CC..Hα-helixtrans-69-37.9175.5177.10000110.8F209 D211 F215 Y216 F217 Y535 L581 P588F209-V213 HydrophobicContact CB-CB 3.84Å; F209-V213 HydrophobicContact CB-CG1 3.81Å; F209-V213 HydrophobicContact CB-CG2 4Å; F209-V213 HydrophobicContact CD2-CG1 4.31Å; F209-V213 HydrophobicContact CG-CG1 4.33Å; D211-V213 PolarHBondContact O-N 3.21Å; V213-F215 PolarHBondContact O-N 2.78Å; V213-Y216 WeakPolarHBondContact O-CB 3.44Å; V213-Y216 PolarHBondContact O-N 2.92Å; V213-F217 HydrophobicContact CG1-CD2 3.72Å; V213-F217 HydrophobicContact CG1-CE2 3.55Å; V213-F217 WeakPolarHBondContact O-CD2 3.42Å; V213-F217 PolarHBondContact O-N 2.99Å; V213-F217 VanDerWaalsContact O-N 3.12Å; V213-Y535 HydrophobicContact CG2-CE1 3.79Å; V213-L581 HydrophobicContact CG1-CD1 3.65Å; V213-P588 HydrophobicContact CG2-CB 4.37Å; V213-P588 HydrophobicContact CG2-CG 4.12Å
214G89.4Confident88.9Confident0 Ų019.1 Ų19.10%010%0.095CC..Hα-helixtrans-57-49.3174.200000113.1G210 D211 Y216 F217 V218G210-G214 PolarHBondContact O-N 2.9Å; G210-G214 VanDerWaalsContact O-N 3.07Å; D211-G214 PolarHBondContact O-N 3.07Å; G214-Y216 VanDerWaalsContact C-N 3.3Å; G214-Y216 PolarHBondContact O-N 3.44Å; G214-F217 PolarHBondContact O-N 2.94Å; G214-V218 WeakPolarHBondContact O-CG2 3.46Å; G214-V218 PolarHBondContact O-N 3.45Å; G214-V218 VanDerWaalsContact O-N 3.09Å
215F90.1Very high89.3Confident17 Ų1719.5 Ų19.58%0.07510%0.103CC..Hα-helixtrans-60.3-40.3176.9-80.9-62.9000112.4D211 V213 V218 W219 Y280 C283 V284 W287 Y541 L593D211-F215 WeakPolarHBondContact O-CD2 3.44Å; D211-F215 PolarHBondContact O-N 2.96Å; V213-F215 PolarHBondContact O-N 2.78Å; F215-V218 PolarHBondContact O-N 3.28Å; F215-W219 WeakPolarHBondContact O-CB 3.31Å; F215-W219 PolarHBondContact O-N 3.26Å; F215-Y280 AromaticContact CD1-CD2 3.52Å; F215-Y280 HydrophobicContact CD1-CD2 3.52Å; F215-Y280 AromaticContact CD1-CE2 3.69Å; F215-Y280 HydrophobicContact CD1-CE2 3.69Å; F215-Y280 HydrophobicContact CD2-CE2 4.31Å; F215-Y280 AromaticContact CE1-CD2 3.44Å; F215-Y280 HydrophobicContact CE1-CD2 3.44Å; F215-Y280 VanDerWaalsContact CE1-CD2 3.44Å; F215-Y280 AromaticContact CE1-CE2 3.5Å; F215-Y280 HydrophobicContact CE1-CE2 3.5Å; F215-Y280 HydrophobicContact CE1-CG 4.34Å; F215-Y280 HydrophobicContact CE2-CE2 4.17Å; F215-Y280 HydrophobicContact CG-CD2 4.3Å; F215-Y280 HydrophobicContact CG-CE2 4.1Å; F215-Y280 HydrophobicContact CZ-CD2 4.18Å; F215-Y280 AromaticContact CZ-CE2 3.78Å; F215-Y280 HydrophobicContact CZ-CE2 3.78Å; F215-C283 HydrophobicContact CD1-CB 4.34Å; F215-C283 HydrophobicContact CE1-CB 3.67Å; F215-V284 HydrophobicContact CE1-CG2 4Å; F215-V284 HydrophobicContact CZ-CG2 3.54Å; F215-W287 HydrophobicContact CB-CZ3 4.45Å; F215-W287 HydrophobicContact CD1-CE3 4.31Å; F215-W287 HydrophobicContact CD1-CH2 4.07Å; F215-W287 AromaticContact CD1-CZ3 3.47Å; F215-W287 HydrophobicContact CD1-CZ3 3.47Å; F215-W287 VanDerWaalsContact CD1-CZ3 3.47Å; F215-W287 HydrophobicContact CD2-CE3 4.36Å; F215-W287 AromaticContact CD2-CZ3 3.77Å; F215-W287 HydrophobicContact CD2-CZ3 3.77Å; F215-W287 AromaticContact CE1-CE3 3.82Å; F215-W287 HydrophobicContact CE1-CE3 3.82Å; F215-W287 HydrophobicContact CE1-CH2 4.27Å; F215-W287 AromaticContact CE1-CZ3 3.44Å; F215-W287 HydrophobicContact CE1-CZ3 3.44Å; F215-W287 VanDerWaalsContact CE1-CZ3 3.44Å; F215-W287 AromaticContact CE2-CE3 3.87Å; F215-W287 HydrophobicContact CE2-CE3 3.87Å; F215-W287 AromaticContact CE2-CZ3 3.73Å; F215-W287 HydrophobicContact CE2-CZ3 3.73Å; F215-W287 HydrophobicContact CG-CH2 4.37Å; F215-W287 AromaticContact CG-CZ3 3.63Å; F215-W287 HydrophobicContact CG-CZ3 3.63Å; F215-W287 AromaticContact CZ-CE3 3.56Å; F215-W287 HydrophobicContact CZ-CE3 3.56Å; F215-W287 AromaticContact CZ-CZ3 3.55Å; F215-W287 HydrophobicContact CZ-CZ3 3.55Å; F215-Y541 WeakPolarHBondContact CB-OH 3.11Å; F215-L593 HydrophobicContact CE2-CD1 3.64Å; F215-L593 HydrophobicContact CE2-CG 3.97Å; F215-L593 HydrophobicContact CZ-CD1 3.82Å; F215-L593 HydrophobicContact CZ-CG 4.31Å
216Y92.1Very high89.7Confident0 Ų021.1 Ų21.10%011%0.109CC..Hα-helixtrans-59.4-52178.4175.1-105.6000111.2S212 V213 G214 V218 W219 M220 D540 Y541 M544 D577S212-Y216 PolarHBondContact O-N 3.42Å; V213-Y216 WeakPolarHBondContact O-CB 3.44Å; V213-Y216 PolarHBondContact O-N 2.92Å; G214-Y216 VanDerWaalsContact C-N 3.3Å; G214-Y216 PolarHBondContact O-N 3.44Å; Y216-V218 VanDerWaalsContact C-N 3.33Å; Y216-V218 PolarHBondContact O-N 3.26Å; Y216-W219 WeakPolarHBondContact O-CA 3.43Å; Y216-W219 VanDerWaalsContact O-CB 3.3Å; Y216-W219 WeakPolarHBondContact O-CB 3.26Å; Y216-W219 PolarHBondContact O-N 2.94Å; Y216-W219 VanDerWaalsContact O-N 3.09Å; Y216-M220 HydrophobicContact CD1-CG 4.23Å; Y216-M220 HydrophobicContact CD2-CG 4.31Å; Y216-M220 HydrophobicContact CE1-CG 3.82Å; Y216-M220 HydrophobicContact CE2-CG 3.87Å; Y216-M220 HydrophobicContact CE2-SD 3.87Å; Y216-M220 HydrophobicContact CG-CG 4.46Å; Y216-M220 VanDerWaalsContact O-CG 3.3Å; Y216-M220 WeakPolarHBondContact O-CG 3.28Å; Y216-M220 PolarHBondContact O-N 3.29Å; Y216-M220 VanDerWaalsContact OH-CE 3.29Å; Y216-M220 WeakPolarHBondContact OH-CE 3.34Å; Y216-D540 HydrophobicContact CD2-CB 4.22Å; Y216-D540 HydrophobicContact CE1-CB 4.33Å; Y216-D540 HydrophobicContact CE2-CB 3.76Å; Y216-D540 WeakPolarHBondContact CE2-O 3.23Å; Y216-Y541 HydrophobicContact CD2-CD1 4.08Å; Y216-Y541 HydrophobicContact CD2-CE1 4.08Å; Y216-Y541 HydrophobicContact CD2-CG 4.36Å; Y216-Y541 PolarHBondContact N-OH 3.29Å; Y216-Y541 VanDerWaalsContact N-OH 3.07Å; Y216-M544 HydrophobicContact CE2-CG 4.04Å; Y216-D577 HydrophobicContact CE1-CB 4.27Å; Y216-D577 WeakPolarHBondContact CE1-OD2 3.28Å; Y216-D577 VanDerWaalsContact CZ-OD2 3.23Å; Y216-D577 PolarHBondContact OH-OD2 2.94Å
217F93.4Very high90.3Very high5 Ų520 Ų202%0.02210%0.104CC..Hα-helixtrans-67.9-30.8179.8-77.1-69.7000114P200 L205 V213 G214 W219 K221 I574 D577 V578 L581P200-F217 HydrophobicContact CG-CD1 4.19Å; L205-F217 HydrophobicContact CB-CD2 4.34Å; L205-F217 HydrophobicContact CD1-CB 4.36Å; L205-F217 HydrophobicContact CD1-CD1 4.07Å; L205-F217 HydrophobicContact CD1-CD2 3.59Å; L205-F217 HydrophobicContact CD1-CE1 4.29Å; L205-F217 HydrophobicContact CD1-CE2 3.82Å; L205-F217 HydrophobicContact CD1-CG 3.73Å; L205-F217 HydrophobicContact CD1-CZ 4.17Å; V213-F217 HydrophobicContact CG1-CD2 3.72Å; V213-F217 HydrophobicContact CG1-CE2 3.55Å; V213-F217 WeakPolarHBondContact O-CD2 3.42Å; V213-F217 PolarHBondContact O-N 2.99Å; V213-F217 VanDerWaalsContact O-N 3.12Å; G214-F217 PolarHBondContact O-N 2.94Å; F217-W219 VanDerWaalsContact C-N 3.35Å; F217-K221 WeakPolarHBondContact O-CB 3.29Å; F217-K221 PolarHBondContact O-N 2.75Å; F217-K221 VanDerWaalsContact O-N 3.13Å; F217-I574 HydrophobicContact CD1-CG2 4.33Å; F217-I574 HydrophobicContact CE1-CG2 4.33Å; F217-D577 HydrophobicContact CE1-CB 4.09Å; F217-D577 HydrophobicContact CZ-CB 3.86Å; F217-V578 HydrophobicContact CD1-CG2 4.4Å; F217-V578 HydrophobicContact CE1-CG2 3.51Å; F217-V578 HydrophobicContact CZ-CG2 3.58Å; F217-L581 HydrophobicContact CE2-CD1 3.54Å; F217-L581 HydrophobicContact CZ-CD1 3.87Å
218V93.7Very high91Very high10 Ų1019.8 Ų19.86%0.06111%0.108CC..Hα-helixtrans-66.4-39.9171.5176.10000110.8S202 G214 F215 Y216 S222 W276 E279 W287S202-V218 WeakPolarHBondContact OG-CG2 3.37Å; G214-V218 WeakPolarHBondContact O-CG2 3.46Å; G214-V218 PolarHBondContact O-N 3.45Å; G214-V218 VanDerWaalsContact O-N 3.09Å; F215-V218 PolarHBondContact O-N 3.28Å; Y216-V218 VanDerWaalsContact C-N 3.33Å; Y216-V218 PolarHBondContact O-N 3.26Å; V218-S222 VanDerWaalsContact O-CB 3.31Å; V218-S222 WeakPolarHBondContact O-CB 3.45Å; V218-S222 PolarHBondContact O-N 3.23Å; V218-S222 PolarHBondContact O-OG 3.08Å; V218-W276 HydrophobicContact CB-CH2 4.33Å; V218-W276 HydrophobicContact CG1-CH2 4.03Å; V218-W276 HydrophobicContact CG1-CZ3 3.94Å; V218-E279 HydrophobicContact CG1-CG 4.23Å; V218-W287 HydrophobicContact CG2-CH2 3.78Å; V218-W287 HydrophobicContact CG2-CZ2 3.88Å
219W94.5Very high91.6Very high7 Ų722.6 Ų22.63%0.02713%0.128CC..Hα-helixtrans-60.7-54.3174170.6-120.8000110.6F215 Y216 F217 K221 S222 Y223 Y226 W276 L604F215-W219 WeakPolarHBondContact O-CB 3.31Å; F215-W219 PolarHBondContact O-N 3.26Å; Y216-W219 WeakPolarHBondContact O-CA 3.43Å; Y216-W219 VanDerWaalsContact O-CB 3.3Å; Y216-W219 WeakPolarHBondContact O-CB 3.26Å; Y216-W219 PolarHBondContact O-N 2.94Å; Y216-W219 VanDerWaalsContact O-N 3.09Å; F217-W219 VanDerWaalsContact C-N 3.35Å; W219-K221 VanDerWaalsContact C-N 3.33Å; W219-K221 PolarHBondContact O-N 2.87Å; W219-S222 CarbonylContact O-C 3.59Å; W219-S222 WeakPolarHBondContact O-CA 3.39Å; W219-S222 WeakPolarHBondContact O-CB 3.47Å; W219-S222 PolarHBondContact O-N 3.49Å; W219-Y223 AromaticContact CH2-CD2 3.6Å; W219-Y223 HydrophobicContact CH2-CD2 3.6Å; W219-Y223 HydrophobicContact CH2-CE2 4.27Å; W219-Y223 HydrophobicContact CH2-CG 4.25Å; W219-Y223 AromaticContact CZ2-CD2 3.55Å; W219-Y223 HydrophobicContact CZ2-CD2 3.55Å; W219-Y223 HydrophobicContact CZ2-CE2 4.11Å; W219-Y223 AromaticContact CZ2-CG 3.92Å; W219-Y223 HydrophobicContact CZ2-CG 3.92Å; W219-Y223 HydrophobicContact CZ3-CD2 4.31Å; W219-Y223 VanDerWaalsContact O-CB 3.28Å; W219-Y223 WeakPolarHBondContact O-CB 3.06Å; W219-Y223 PolarHBondContact O-N 2.99Å; W219-Y226 HydrophobicContact CZ3-CD2 4.43Å; W219-Y226 HydrophobicContact CZ3-CE2 4.39Å; W219-W276 HydrophobicContact CB-CH2 3.52Å; W219-W276 HydrophobicContact CB-CZ2 3.48Å; W219-W276 VanDerWaalsContact CB-CZ2 3.48Å; W219-W276 HydrophobicContact CB-CZ3 4.17Å; W219-W276 HydrophobicContact CD2-CD2 4.18Å; W219-W276 AromaticContact CD2-CE2 3.97Å; W219-W276 HydrophobicContact CD2-CZ2 4.29Å; W219-W276 HydrophobicContact CE3-CB 4.21Å; W219-W276 AromaticContact CE3-CD1 3.71Å; W219-W276 AromaticContact CE3-CD2 3.19Å; W219-W276 HydrophobicContact CE3-CD2 3.19Å; W219-W276 AromaticContact CE3-CE2 3.43Å; W219-W276 VanDerWaalsContact CE3-CE2 3.43Å; W219-W276 AromaticContact CE3-CE3 3.52Å; W219-W276 HydrophobicContact CE3-CE3 3.52Å; W219-W276 AromaticContact CE3-CG 3.46Å; W219-W276 HydrophobicContact CE3-CG 3.46Å; W219-W276 VanDerWaalsContact CE3-CG 3.46Å; W219-W276 HydrophobicContact CE3-CH2 4.31Å; W219-W276 HydrophobicContact CE3-CZ2 4.03Å; W219-W276 HydrophobicContact CE3-CZ3 4.06Å; W219-W276 AromaticContact CE3-NE1 3.7Å; W219-W276 HydrophobicContact CG-CH2 4.48Å; W219-W276 HydrophobicContact CG-CZ2 4.14Å; W219-W276 HydrophobicContact CH2-CG 4.32Å; W219-W276 HydrophobicContact CZ3-CB 3.64Å; W219-W276 AromaticContact CZ3-CD1 3.65Å; W219-W276 AromaticContact CZ3-CD2 3.61Å; W219-W276 HydrophobicContact CZ3-CD2 3.61Å; W219-W276 HydrophobicContact CZ3-CE3 4.09Å; W219-W276 AromaticContact CZ3-CG 3.33Å; W219-W276 HydrophobicContact CZ3-CG 3.33Å; W219-W276 VanDerWaalsContact N-CH2 3.32Å; W219-L604 HydrophobicContact CH2-CD1 3.74Å; W219-L604 HydrophobicContact CZ2-CD1 3.61Å; W219-L604 HydrophobicContact CZ2-CD2 4.14Å; W219-L604 HydrophobicContact CZ3-CD1 4.46Å
220M93.8Very high92.2Very high0 Ų022.5 Ų22.50%013%0.127CC..Hα-helixtrans-54.6-48.6-177.6-67.9-64-9000112.5Y216 S222 Y223 C224 M544 T570 E573 I574Y216-M220 HydrophobicContact CD1-CG 4.23Å; Y216-M220 HydrophobicContact CD2-CG 4.31Å; Y216-M220 HydrophobicContact CE1-CG 3.82Å; Y216-M220 HydrophobicContact CE2-CG 3.87Å; Y216-M220 HydrophobicContact CE2-SD 3.87Å; Y216-M220 HydrophobicContact CG-CG 4.46Å; Y216-M220 VanDerWaalsContact O-CG 3.3Å; Y216-M220 WeakPolarHBondContact O-CG 3.28Å; Y216-M220 PolarHBondContact O-N 3.29Å; Y216-M220 VanDerWaalsContact OH-CE 3.29Å; Y216-M220 WeakPolarHBondContact OH-CE 3.34Å; M220-S222 PolarHBondContact O-N 2.79Å; M220-Y223 PolarHBondContact O-N 2.84Å; M220-C224 PolarHBondContact O-N 2.56Å; M220-C224 PolarHBondContact O-SG 3.07Å; M220-M544 HydrophobicContact CE-CE 3.95Å; M220-M544 HydrophobicContact CE-CG 4.19Å; M220-M544 HydrophobicContact CE-SD 3.56Å; M220-M544 VanDerWaalsContact CE-SD 3.56Å; M220-M544 HydrophobicContact SD-CE 4.31Å; M220-M544 HydrophobicContact SD-CG 3.36Å; M220-M544 WeakPolarHBondContact SD-CG 3.3Å; M220-M544 HydrophobicContact SD-SD 3.2Å; M220-T570 HydrophobicContact CE-CG2 3.7Å; M220-T570 HydrophobicContact SD-CG2 4.05Å; M220-E573 HydrophobicContact CE-CB 3.96Å; M220-E573 HydrophobicContact CE-CG 4.1Å; M220-I574 HydrophobicContact CB-CD1 3.7Å; M220-I574 HydrophobicContact CB-CG1 3.53Å; M220-I574 HydrophobicContact CE-CG1 3.68Å; M220-I574 HydrophobicContact CG-CG1 4.08Å
221K93.7Very high92.9Very high101 Ų10124 Ų2444%0.43913%0.133SC..Hα-helixtrans-59.2-48.8175.6178.6-175.2173.9-174.10111.3F199 F217 W219 Y223 C224 V225F199-K221 HydrophobicContact CB-CD 4.34Å; F199-K221 HydrophobicContact CB-CG 4.26Å; F199-K221 HydrophobicContact CD1-CG 4.46Å; F199-K221 HydrophobicContact CD2-CG 4Å; F199-K221 HydrophobicContact CE2-CG 4.48Å; F199-K221 HydrophobicContact CG-CB 4.44Å; F199-K221 HydrophobicContact CG-CG 3.98Å; F217-K221 WeakPolarHBondContact O-CB 3.29Å; F217-K221 PolarHBondContact O-N 2.75Å; F217-K221 VanDerWaalsContact O-N 3.13Å; W219-K221 VanDerWaalsContact C-N 3.33Å; W219-K221 PolarHBondContact O-N 2.87Å; K221-Y223 VanDerWaalsContact C-N 3.31Å; K221-Y223 PolarHBondContact O-N 3.36Å; K221-C224 PolarHBondContact O-N 3.11Å; K221-V225 WeakPolarHBondContact O-CG2 3.49Å; K221-V225 PolarHBondContact O-N 3.37Å
222S94.3Very high93.6Very high17 Ų1726.7 Ų26.712%0.11915%0.15CC..Hα-helixtrans-62.9-39.9180-58.50000111.5V218 W219 M220 V225 Y226V218-S222 VanDerWaalsContact O-CB 3.31Å; V218-S222 WeakPolarHBondContact O-CB 3.45Å; V218-S222 PolarHBondContact O-N 3.23Å; V218-S222 PolarHBondContact O-OG 3.08Å; W219-S222 CarbonylContact O-C 3.59Å; W219-S222 WeakPolarHBondContact O-CA 3.39Å; W219-S222 WeakPolarHBondContact O-CB 3.47Å; W219-S222 PolarHBondContact O-N 3.49Å; M220-S222 PolarHBondContact O-N 2.79Å; S222-V225 CarbonylContact O-C 3.53Å; S222-V225 WeakPolarHBondContact O-CB 3.48Å; S222-V225 PolarHBondContact O-N 3.38Å; S222-Y226 WeakPolarHBondContact O-CD1 3.27Å; S222-Y226 WeakPolarHBondContact O-CD2 3.46Å; S222-Y226 PolarHBondContact O-N 3.48Å
223Y95.5Very high94.2Very high0 Ų025.7 Ų25.70%014%0.144CC..Hα-helixtrans-66.6-43.6-179.2-171.3-120.5000111.4W219 M220 K221 V225 Y226 L227 W268 Q547 H548 T570W219-Y223 AromaticContact CH2-CD2 3.6Å; W219-Y223 HydrophobicContact CH2-CD2 3.6Å; W219-Y223 HydrophobicContact CH2-CE2 4.27Å; W219-Y223 HydrophobicContact CH2-CG 4.25Å; W219-Y223 AromaticContact CZ2-CD2 3.55Å; W219-Y223 HydrophobicContact CZ2-CD2 3.55Å; W219-Y223 HydrophobicContact CZ2-CE2 4.11Å; W219-Y223 AromaticContact CZ2-CG 3.92Å; W219-Y223 HydrophobicContact CZ2-CG 3.92Å; W219-Y223 HydrophobicContact CZ3-CD2 4.31Å; W219-Y223 VanDerWaalsContact O-CB 3.28Å; W219-Y223 WeakPolarHBondContact O-CB 3.06Å; W219-Y223 PolarHBondContact O-N 2.99Å; M220-Y223 PolarHBondContact O-N 2.84Å; K221-Y223 VanDerWaalsContact C-N 3.31Å; K221-Y223 PolarHBondContact O-N 3.36Å; Y223-V225 VanDerWaalsContact C-N 3.27Å; Y223-V225 PolarHBondContact O-N 3.19Å; Y223-Y226 PolarHBondContact O-N 3.49Å; Y223-Y226 VanDerWaalsContact O-N 3.1Å; Y223-L227 HydrophobicContact CD1-CD1 3.95Å; Y223-L227 HydrophobicContact CD1-CG 4.42Å; Y223-L227 HydrophobicContact CE1-CD1 3.71Å; Y223-L227 HydrophobicContact CE1-CD2 4.41Å; Y223-L227 HydrophobicContact CE1-CG 4.19Å; Y223-L227 HydrophobicContact CE2-CD2 4.31Å; Y223-L227 HydrophobicContact CE2-CG 4.35Å; Y223-L227 WeakPolarHBondContact O-CB 3.19Å; Y223-L227 VanDerWaalsContact O-CG 3.28Å; Y223-L227 WeakPolarHBondContact O-CG 3.33Å; Y223-L227 PolarHBondContact O-N 3.04Å; Y223-W268 AromaticContact CE2-CH2 3.96Å; Y223-W268 HydrophobicContact CE2-CH2 3.96Å; Y223-Q547 HydrophobicContact CE1-CG 4.28Å; Y223-H548 AromaticContact CE2-ND1 3.75Å; Y223-H548 WeakPolarHBondContact OH-CA 3.48Å; Y223-T570 HydrophobicContact CD1-CG2 4.22Å
224C94.6Very high94.6Very high9 Ų925.7 Ų25.76%0.06114%0.144CC..Hα-helixtrans-55.6-42.2170.7-730000112.3F199 M220 K221 L227 T570F199-C224 HydrophobicContact CE1-CB 3.93Å; F199-C224 HydrophobicContact CZ-CB 3.68Å; M220-C224 PolarHBondContact O-N 2.56Å; M220-C224 PolarHBondContact O-SG 3.07Å; K221-C224 PolarHBondContact O-N 3.11Å; C224-L227 PolarHBondContact O-N 2.87Å; C224-T570 WeakPolarHBondContact SG-CG2 3.45Å
225V94.9Very high94.9Very high76 Ų7629.5 Ų29.546%0.46116%0.163SC..Hα-helixtrans-67.2-42.1176175.30000110.8K221 S222 Y223 L227 T228K221-V225 WeakPolarHBondContact O-CG2 3.49Å; K221-V225 PolarHBondContact O-N 3.37Å; S222-V225 CarbonylContact O-C 3.53Å; S222-V225 WeakPolarHBondContact O-CB 3.48Å; S222-V225 PolarHBondContact O-N 3.38Å; Y223-V225 VanDerWaalsContact C-N 3.27Å; Y223-V225 PolarHBondContact O-N 3.19Å; V225-L227 VanDerWaalsContact C-N 3.29Å; V225-L227 PolarHBondContact O-N 3.46Å; V225-T228 PolarHBondContact O-N 3.11Å; V225-T228 PolarHBondContact O-OG1 2.92Å
226Y96.5Very high95.1Very high37 Ų3733.8 Ų33.815%0.14519%0.187CC..Hα-helixtrans-65.8-33.3178.7-60.3-23.6000112.5W219 S222 Y223 T228 C229 P230 W268 C272 L275 W276W219-Y226 HydrophobicContact CZ3-CD2 4.43Å; W219-Y226 HydrophobicContact CZ3-CE2 4.39Å; S222-Y226 WeakPolarHBondContact O-CD1 3.27Å; S222-Y226 WeakPolarHBondContact O-CD2 3.46Å; S222-Y226 PolarHBondContact O-N 3.48Å; Y223-Y226 PolarHBondContact O-N 3.49Å; Y223-Y226 VanDerWaalsContact O-N 3.1Å; Y226-T228 PolarHBondContact O-N 3.45Å; Y226-C229 PolarHBondContact O-N 3.28Å; Y226-P230 WeakPolarHBondContact O-CD 3.3Å; Y226-W268 PolarHBondContact O-NE1 3.42Å; Y226-C272 VanDerWaalsContact CD2-SG 3.58Å; Y226-L275 HydrophobicContact CE1-CB 4.34Å; Y226-L275 HydrophobicContact CE1-CD1 4.22Å; Y226-L275 HydrophobicContact CE2-CB 4.35Å; Y226-W276 HydrophobicContact CE2-CB 4.45Å
227L96.7Very high95.1Very high0 Ų034.1 Ų34.10%019%0.189CC..Hα-helixtrans-66-19.2175.6-73.2174000113.5Y223 C224 V225 C229 P230 L231 W268 L551 A566 I567Y223-L227 HydrophobicContact CD1-CD1 3.95Å; Y223-L227 HydrophobicContact CD1-CG 4.42Å; Y223-L227 HydrophobicContact CE1-CD1 3.71Å; Y223-L227 HydrophobicContact CE1-CD2 4.41Å; Y223-L227 HydrophobicContact CE1-CG 4.19Å; Y223-L227 HydrophobicContact CE2-CD2 4.31Å; Y223-L227 HydrophobicContact CE2-CG 4.35Å; Y223-L227 WeakPolarHBondContact O-CB 3.19Å; Y223-L227 VanDerWaalsContact O-CG 3.28Å; Y223-L227 WeakPolarHBondContact O-CG 3.33Å; Y223-L227 PolarHBondContact O-N 3.04Å; C224-L227 PolarHBondContact O-N 2.87Å; V225-L227 VanDerWaalsContact C-N 3.29Å; V225-L227 PolarHBondContact O-N 3.46Å; L227-C229 PolarHBondContact O-N 3.05Å; L227-P230 WeakPolarHBondContact O-CD 3.16Å; L227-L231 WeakPolarHBondContact O-CB 3.44Å; L227-L231 PolarHBondContact O-N 2.94Å; L227-W268 HydrophobicContact CD2-CH2 3.99Å; L227-W268 HydrophobicContact CD2-CZ2 4.2Å; L227-L551 HydrophobicContact CD2-CD2 3.42Å; L227-L551 VanDerWaalsContact CD2-CD2 3.42Å; L227-A566 HydrophobicContact CD1-CB 4.33Å; L227-I567 HydrophobicContact CB-CD1 4.01Å; L227-I567 HydrophobicContact CB-CG1 3.6Å; L227-I567 HydrophobicContact CD1-CG1 3.94Å; L227-I567 HydrophobicContact CG-CG1 4.39Å
228T95.4Very high95Very high65 Ų6537.2 Ų37.240%0.39920%0.203SC..Hα-helixtrans-64.2-28.1174.867.80000111.9V225 Y226 L231 V232V225-T228 PolarHBondContact O-N 3.11Å; V225-T228 PolarHBondContact O-OG1 2.92Å; Y226-T228 PolarHBondContact O-N 3.45Å; T228-L231 WeakPolarHBondContact O-CB 3.31Å; T228-L231 PolarHBondContact O-N 3.09Å; T228-V232 WeakPolarHBondContact O-CG2 3.22Å; T228-V232 PolarHBondContact O-N 3.39Å
229C96.3Very high94.9Very high65 Ų6540.7 Ų40.744%0.43923%0.225SC..Hα-helixtrans-66.8-54.5177.3-68.60000112Y226 L227 L231 V232 A233 F264Y226-C229 PolarHBondContact O-N 3.28Å; L227-C229 PolarHBondContact O-N 3.05Å; C229-L231 PolarHBondContact O-N 3.22Å; C229-V232 PolarHBondContact O-N 3.25Å; C229-A233 PolarHBondContact O-N 2.91Å; C229-F264 HydrophobicContact CB-CZ 4.33Å
230P96.6Very high94.7Very high0 Ų045.4 Ų45.40%025%0.245CC..Hα-helixtrans-55-35.1169-30.937000113.9Y226 L227 A233 G234 F264 M265 W268 T563Y226-P230 WeakPolarHBondContact O-CD 3.3Å; L227-P230 WeakPolarHBondContact O-CD 3.16Å; P230-A233 PolarHBondContact O-N 3.25Å; P230-G234 PolarHBondContact O-N 3.05Å; P230-F264 HydrophobicContact CG-CE1 4.47Å; P230-M265 HydrophobicContact CB-CE 4.32Å; P230-M265 HydrophobicContact CB-SD 3.62Å; P230-M265 HydrophobicContact CG-CE 4.23Å; P230-M265 HydrophobicContact CG-SD 3.68Å; P230-W268 VanDerWaalsContact CD-NE1 3.33Å; P230-W268 HydrophobicContact CG-CD2 3.61Å; P230-W268 VanDerWaalsContact CG-CE2 3.43Å; P230-W268 HydrophobicContact CG-CE3 4.15Å; P230-W268 HydrophobicContact CG-CG 3.92Å; P230-W268 HydrophobicContact CG-CH2 4.32Å; P230-W268 HydrophobicContact CG-CZ2 3.82Å; P230-W268 HydrophobicContact CG-CZ3 4.48Å; P230-T563 HydrophobicContact CB-CG2 3.75Å
231L96.8Very high94.4Very high43 Ų4348.9 Ų48.923%0.22526%0.264CS..Hα-helixtrans-63.7-48.2178.3176.765.9000110.7L227 T228 C229 G234 L235 L560 T563 I564 I567L227-L231 WeakPolarHBondContact O-CB 3.44Å; L227-L231 PolarHBondContact O-N 2.94Å; T228-L231 WeakPolarHBondContact O-CB 3.31Å; T228-L231 PolarHBondContact O-N 3.09Å; C229-L231 PolarHBondContact O-N 3.22Å; L231-G234 PolarHBondContact O-N 2.81Å; L231-L235 HydrophobicContact CD1-CD1 4.3Å; L231-L235 HydrophobicContact CD1-CG 4.38Å; L231-L235 HydrophobicContact CG-CD1 4.11Å; L231-L235 WeakPolarHBondContact O-CB 3.38Å; L231-L235 VanDerWaalsContact O-CG 3.26Å; L231-L235 WeakPolarHBondContact O-CG 3.13Å; L231-L235 PolarHBondContact O-N 3.06Å; L231-L560 HydrophobicContact CD1-CD1 3.89Å; L231-T563 HydrophobicContact CB-CG2 4Å; L231-I564 HydrophobicContact CD1-CD1 4.45Å; L231-I564 HydrophobicContact CD1-CG1 3.58Å; L231-I567 HydrophobicContact CB-CD1 3.9Å; L231-I567 HydrophobicContact CD1-CD1 4.47Å; L231-I567 HydrophobicContact CD2-CD1 3.76Å; L231-I567 HydrophobicContact CG-CD1 4.25Å
232V96.7Very high94.1Very high83 Ų8348.1 Ų48.150%0.50327%0.267SS..Hα-helixtrans-62.7-45.7177.4172.50000110.7T228 C229 G234 L235 L236T228-V232 WeakPolarHBondContact O-CG2 3.22Å; T228-V232 PolarHBondContact O-N 3.39Å; C229-V232 PolarHBondContact O-N 3.25Å; V232-G234 PolarHBondContact O-N 3.38Å; V232-L235 PolarHBondContact O-N 2.85Å; V232-L236 HydrophobicContact CG1-CD1 4.21Å; V232-L236 VanDerWaalsContact O-CG 3.32Å; V232-L236 WeakPolarHBondContact O-CG 3.39Å; V232-L236 PolarHBondContact O-N 3.45Å
233A96.1Very high93.7Very high5 Ų552.7 Ų52.74%0.04129%0.29CS..Hα-helixtrans-60.3-44.3176.900000112.1C229 P230 L236 C237 Y261 F264C229-A233 PolarHBondContact O-N 2.91Å; P230-A233 PolarHBondContact O-N 3.25Å; A233-L236 PolarHBondContact O-N 3.47Å; A233-C237 PolarHBondContact O-N 3.3Å; A233-C237 PolarHBondContact O-SG 2.81Å; A233-Y261 HydrophobicContact CB-CD2 4.46Å; A233-F264 HydrophobicContact CB-CD1 3.63Å; A233-F264 HydrophobicContact CB-CD2 4.34Å; A233-F264 HydrophobicContact CB-CE1 3.5Å; A233-F264 VanDerWaalsContact CB-CE1 3.5Å; A233-F264 HydrophobicContact CB-CE2 4.21Å; A233-F264 HydrophobicContact CB-CG 4.06Å; A233-F264 HydrophobicContact CB-CZ 3.8Å
234G95.4Very high93.2Very high0 Ų055.3 Ų55.30%030%0.304CS..Hα-helixtrans-63.5-39.3175.900000113P230 L231 V232 C237 Q238 P559P230-G234 PolarHBondContact O-N 3.05Å; L231-G234 PolarHBondContact O-N 2.81Å; V232-G234 PolarHBondContact O-N 3.38Å; G234-C237 WeakPolarHBondContact O-CB 3.47Å; G234-C237 PolarHBondContact O-N 3.48Å; G234-Q238 WeakPolarHBondContact O-CB 3.46Å; G234-Q238 PolarHBondContact O-N 3.2Å; G234-P559 VanDerWaalsContact CA-O 3.28Å; G234-P559 WeakPolarHBondContact CA-O 3.26Å
235L95.7Very high92Very high79 Ų7957.3 Ų57.341%0.41433%0.326SS..Hα-helixtrans-65.2-41.9175.4-75.3171.1000111.2L231 V232 Q238 V239 L560L231-L235 HydrophobicContact CD1-CD1 4.3Å; L231-L235 HydrophobicContact CD1-CG 4.38Å; L231-L235 HydrophobicContact CG-CD1 4.11Å; L231-L235 WeakPolarHBondContact O-CB 3.38Å; L231-L235 VanDerWaalsContact O-CG 3.26Å; L231-L235 WeakPolarHBondContact O-CG 3.13Å; L231-L235 PolarHBondContact O-N 3.06Å; V232-L235 PolarHBondContact O-N 2.85Å; L235-Q238 PolarHBondContact O-N 3.49Å; L235-V239 WeakPolarHBondContact O-CG2 3.49Å; L235-V239 PolarHBondContact O-N 3.45Å; L235-L560 HydrophobicContact CD2-CD1 3.87Å; L235-L560 HydrophobicContact CD2-CD2 3.88Å; L235-L560 HydrophobicContact CG-CD1 3.83Å
236L94.7Very high90.4Very high108 Ų10862 Ų6257%0.56534%0.343SS*.Hα-helixtrans-61.3-45.1174.9-70172.8000111.4V232 A233 Q238 V239 F240V232-L236 HydrophobicContact CG1-CD1 4.21Å; V232-L236 VanDerWaalsContact O-CG 3.32Å; V232-L236 WeakPolarHBondContact O-CG 3.39Å; V232-L236 PolarHBondContact O-N 3.45Å; A233-L236 PolarHBondContact O-N 3.47Å; L236-Q238 VanDerWaalsContact C-N 3.31Å; L236-Q238 PolarHBondContact O-N 3.35Å; L236-V239 PolarHBondContact O-N 3.06Å; L236-F240 WeakPolarHBondContact O-CB 3.09Å; L236-F240 PolarHBondContact O-N 2.86Å
237C92.9Very high88.4Confident7 Ų768.3 Ų68.35%0.04737%0.373CS..Hα-helixtrans-58.1-43.4173.6-71.20000112A233 G234 F240 N241 I257 P559A233-C237 PolarHBondContact O-N 3.3Å; A233-C237 PolarHBondContact O-SG 2.81Å; G234-C237 WeakPolarHBondContact O-CB 3.47Å; G234-C237 PolarHBondContact O-N 3.48Å; C237-F240 PolarHBondContact O-N 2.98Å; C237-N241 WeakPolarHBondContact O-CB 3.22Å; C237-N241 PolarHBondContact O-N 3.13Å; C237-I257 HydrophobicContact CB-CG2 3.56Å; C237-P559 HydrophobicContact CB-CB 4.4Å
238Q91.1Very high86.1Confident70 Ų7071.1 Ų71.133%0.32739%0.393SS..Hα-helixtrans-67-42.9179.4-17761.535.800112.1G234 L235 L236 N241 V242 L560G234-Q238 WeakPolarHBondContact O-CB 3.46Å; G234-Q238 PolarHBondContact O-N 3.2Å; L235-Q238 PolarHBondContact O-N 3.49Å; L236-Q238 VanDerWaalsContact C-N 3.31Å; L236-Q238 PolarHBondContact O-N 3.35Å; Q238-N241 PolarHBondContact O-N 2.83Å; Q238-V242 WeakPolarHBondContact O-CG2 3.48Å; Q238-V242 PolarHBondContact O-N 2.9Å; Q238-L560 HydrophobicContact CB-CD2 3.67Å; Q238-L560 HydrophobicContact CG-CD2 3.88Å
239V91.5Very high84.5Confident83 Ų8377.2 Ų77.250%0.50342%0.417SS..Hα-helixtrans-61.9-46.9176.2169.60000110.2L235 L236 N241 V242 L243L235-V239 WeakPolarHBondContact O-CG2 3.49Å; L235-V239 PolarHBondContact O-N 3.45Å; L236-V239 PolarHBondContact O-N 3.06Å; V239-N241 VanDerWaalsContact C-N 3.3Å; V239-N241 PolarHBondContact O-N 2.84Å; V239-V242 PolarHBondContact O-N 3.27Å; V239-V242 VanDerWaalsContact O-N 3.17Å; V239-L243 HydrophobicContact CG1-CD1 3.81Å; V239-L243 HydrophobicContact CG1-CG 4.27Å; V239-L243 VanDerWaalsContact O-CG 3.3Å; V239-L243 WeakPolarHBondContact O-CG 3.21Å; V239-L243 PolarHBondContact O-N 2.88Å
240F90.2Very high83.3Confident106 Ų10677.9 Ų77.947%0.46542%0.416SS..Hα-helixtrans-62.5-38.2178.1-171.7-97.9000112.2L236 C237 L243 N244 V253 I257L236-F240 WeakPolarHBondContact O-CB 3.09Å; L236-F240 PolarHBondContact O-N 2.86Å; C237-F240 PolarHBondContact O-N 2.98Å; F240-L243 PolarHBondContact O-N 3.2Å; F240-N244 VanDerWaalsContact CD1-ND2 3.26Å; F240-N244 WeakPolarHBondContact CD1-ND2 3.13Å; F240-N244 WeakPolarHBondContact CE1-ND2 3.31Å; F240-N244 WeakPolarHBondContact CE2-ND2 3.38Å; F240-N244 WeakPolarHBondContact CZ-ND2 3.29Å; F240-N244 WeakPolarHBondContact O-CB 3.48Å; F240-N244 PolarHBondContact O-N 3.25Å; F240-N244 VanDerWaalsContact O-N 3.07Å; F240-N244 PolarHBondContact O-ND2 3.02Å; F240-N244 VanDerWaalsContact O-ND2 3.16Å; F240-V253 HydrophobicContact CE1-CG1 3.96Å; F240-I257 HydrophobicContact CD1-CD1 3.56Å; F240-I257 HydrophobicContact CD1-CG1 3.54Å; F240-I257 HydrophobicContact CE1-CD1 4.08Å; F240-I257 HydrophobicContact CE1-CG1 3.88Å
241N87.3Confident82.4Confident72 Ų7285 Ų8539%0.38545%0.447SS..Hα-helixtrans-64.1-40.6174.1-168.944.5000112.4C237 Q238 V239 G245 I257C237-N241 WeakPolarHBondContact O-CB 3.22Å; C237-N241 PolarHBondContact O-N 3.13Å; Q238-N241 PolarHBondContact O-N 2.83Å; V239-N241 VanDerWaalsContact C-N 3.3Å; V239-N241 PolarHBondContact O-N 2.84Å; N241-G245 WeakPolarHBondContact O-CA 3.2Å; N241-G245 PolarHBondContact O-N 3.33Å; N241-I257 HydrophobicContact CB-CD1 4.04Å
242V87.3Confident81.6Confident85 Ų8588.5 Ų88.552%0.51546%0.462SS..Hα-helixtrans-68.6-41.3177.5171.10000111.8Q238 V239Q238-V242 WeakPolarHBondContact O-CG2 3.48Å; Q238-V242 PolarHBondContact O-N 2.9Å; V239-V242 PolarHBondContact O-N 3.27Å; V239-V242 VanDerWaalsContact O-N 3.17Å
243L86.9Confident81Confident113 Ų11387 Ų8759%0.59245%0.453SS*.Hα-helixtrans-65.2-40.5179.3-68.9173.3000112.1V239 F240V239-L243 HydrophobicContact CG1-CD1 3.81Å; V239-L243 HydrophobicContact CG1-CG 4.27Å; V239-L243 VanDerWaalsContact O-CG 3.3Å; V239-L243 WeakPolarHBondContact O-CG 3.21Å; V239-L243 PolarHBondContact O-N 2.88Å; F240-L243 PolarHBondContact O-N 3.2Å
244N83.4Confident80.5Confident56 Ų5688.5 Ų88.530%0.29946%0.464SS..Hα-helixtrans-87.1-25.1-180-66.6-39.3000113.8F240 Q246 H247 S248 V253F240-N244 VanDerWaalsContact CD1-ND2 3.26Å; F240-N244 WeakPolarHBondContact CD1-ND2 3.13Å; F240-N244 WeakPolarHBondContact CE1-ND2 3.31Å; F240-N244 WeakPolarHBondContact CE2-ND2 3.38Å; F240-N244 WeakPolarHBondContact CZ-ND2 3.29Å; F240-N244 WeakPolarHBondContact O-CB 3.48Å; F240-N244 PolarHBondContact O-N 3.25Å; F240-N244 VanDerWaalsContact O-N 3.07Å; F240-N244 PolarHBondContact O-ND2 3.02Å; F240-N244 VanDerWaalsContact O-ND2 3.16Å; N244-Q246 PolarHBondContact O-N 2.96Å; N244-Q246 VanDerWaalsContact O-N 3.17Å; N244-H247 PolarHBondContact O-N 3.49Å; N244-S248 PolarHBondContact O-N 3.31Å; N244-V253 HydrophobicContact CB-CG1 4.28Å
245G69.7Low80Confident51 Ų5189.9 Ų89.953%0.52647%0.471SS..Hα-helixtrans-63.4-19.1179.400000113.8N241 H247N241-G245 WeakPolarHBondContact O-CA 3.2Å; N241-G245 PolarHBondContact O-N 3.33Å; G245-H247 VanDerWaalsContact C-N 3.32Å
246Q60.7Low79.7Confident173 Ų17387.9 Ų87.981%0.80847%0.469SS*.THydrogen-bonded Turntrans-76.4-16.8170.2-71.6-172-19.300113.6N244N244-Q246 PolarHBondContact O-N 2.96Å; N244-Q246 VanDerWaalsContact O-N 3.17Å
247H54.7Low79.5Confident170 Ų17083.4 Ų83.479%0.78745%0.446SS*.THydrogen-bonded Turntrans-109.5-31.2-169.8-9867.2000115.3N244 G245N244-H247 PolarHBondContact O-N 3.49Å; G245-H247 VanDerWaalsContact C-N 3.32Å
248S49.6Very low79.4Confident60 Ų6084 Ų8442%0.4245%0.448SS..  trans-169.3139170.5-163.30000111.5N244 D250N244-S248 PolarHBondContact O-N 3.31Å; S248-D250 VanDerWaalsContact CB-CG 3.47Å; S248-D250 WeakPolarHBondContact CB-OD1 3.44Å; S248-D250 PolarHBondContact O-N 3.06Å; S248-D250 VanDerWaalsContact OG-CG 3.23Å; S248-D250 PolarHBondContact OG-OD1 3.13Å
249E61.9Low79.5Confident193 Ų19383.6 Ų83.690%0.90245%0.448SS*.  trans-71.645.5168-68.8-170.8158.800111.7K251E249-K251 PolarHBondContact O-N 3.06Å
250D71Confident79.6Confident78 Ų7885.3 Ų85.342%0.41745%0.448SS..  trans-70.9105.4-176.9-72.8-13.8000109.6S248 H252 V253 S254S248-D250 VanDerWaalsContact CB-CG 3.47Å; S248-D250 WeakPolarHBondContact CB-OD1 3.44Å; S248-D250 PolarHBondContact O-N 3.06Å; S248-D250 VanDerWaalsContact OG-CG 3.23Å; S248-D250 PolarHBondContact OG-OD1 3.13Å; D250-H252 PolarHBondContact O-N 3.29Å; D250-V253 HydrophobicContact CB-CB 4.21Å; D250-V253 HydrophobicContact CB-CG2 3.76Å; D250-V253 PolarHBondContact O-N 3.19Å; D250-S254 PolarHBondContact O-N 3.16Å
251K76.3Confident79.7Confident150 Ų15080.3 Ų80.365%0.65243%0.427SS*.Hα-helixtrans-49.3-34.1174.3-64.9179.1-178175.30112E249 L255 L626E249-K251 PolarHBondContact O-N 3.06Å; K251-L255 WeakPolarHBondContact O-CB 3.48Å; K251-L255 PolarHBondContact O-N 3.08Å; K251-L626 HydrophobicContact CD-CD2 4.23Å
252H81.4Confident80Confident117 Ų11776.9 Ų76.954%0.54241%0.408SS..Hα-helixtrans-64-42.7177-55.2-79.4000113.3D250 L255 G256 M628D250-H252 PolarHBondContact O-N 3.29Å; H252-L255 PolarHBondContact O-N 3.29Å; H252-G256 PolarHBondContact O-N 3.4Å; H252-M628 WeakPolarHBondContact CE1-CE 3.4Å; H252-M628 PolarHBondContact CE1-SD 3.32Å; H252-M628 VanDerWaalsContact ND1-CE 3.27Å; H252-M628 WeakPolarHBondContact ND1-CE 3.48Å
253V84.3Confident80.4Confident51 Ų5174.6 Ų74.631%0.30940%0.395SS..Hα-helixtrans-66.5-45.7179.7177.30000109.4F240 N244 D250 L255 G256 I257F240-V253 HydrophobicContact CE1-CG1 3.96Å; N244-V253 HydrophobicContact CB-CG1 4.28Å; D250-V253 HydrophobicContact CB-CB 4.21Å; D250-V253 HydrophobicContact CB-CG2 3.76Å; D250-V253 PolarHBondContact O-N 3.19Å; V253-L255 PolarHBondContact O-N 2.96Å; V253-G256 PolarHBondContact O-N 3.25Å; V253-I257 HydrophobicContact CG1-CD1 4.25Å; V253-I257 VanDerWaalsContact O-CG1 3.31Å; V253-I257 WeakPolarHBondContact O-CG1 3.48Å; V253-I257 PolarHBondContact O-N 3.41Å
254S84.2Confident80.8Confident37 Ų3772.4 Ų72.426%0.25938%0.38SS..Hα-helixtrans-57.1-48.2174.3-179.50000111.6D250 G256 I257 H258D250-S254 PolarHBondContact O-N 3.16Å; S254-G256 VanDerWaalsContact C-N 3.33Å; S254-G256 PolarHBondContact O-N 2.96Å; S254-I257 PolarHBondContact O-N 3.24Å; S254-H258 PolarHBondContact O-N 2.96Å; S254-H258 VanDerWaalsContact O-N 3.14Å; S254-H258 PolarHBondContact O-ND1 3.02Å
255L86.4Confident81.4Confident28 Ų2869.7 Ų69.715%0.14737%0.366CS..Hα-helixtrans-58.7-43.6177.3-17867.1000111.9K251 H252 V253 I257 H258 L259 I623K251-L255 WeakPolarHBondContact O-CB 3.48Å; K251-L255 PolarHBondContact O-N 3.08Å; H252-L255 PolarHBondContact O-N 3.29Å; V253-L255 PolarHBondContact O-N 2.96Å; L255-I257 VanDerWaalsContact C-N 3.34Å; L255-I257 PolarHBondContact O-N 3.45Å; L255-H258 PolarHBondContact O-N 2.84Å; L255-L259 WeakPolarHBondContact O-CB 3.33Å; L255-L259 PolarHBondContact O-N 3.43Å; L255-I623 HydrophobicContact CD1-CG1 4.31Å; L255-I623 HydrophobicContact CD2-CD1 4.48Å; L255-I623 HydrophobicContact CD2-CG1 4.01Å
256G89Confident82.6Confident38 Ų3867.3 Ų67.339%0.39234%0.341SS..Hα-helixtrans-60.1-40.3177.300000113.3H252 V253 S254 L259 F260H252-G256 PolarHBondContact O-N 3.4Å; V253-G256 PolarHBondContact O-N 3.25Å; S254-G256 VanDerWaalsContact C-N 3.33Å; S254-G256 PolarHBondContact O-N 2.96Å; G256-L259 PolarHBondContact O-N 2.94Å; G256-F260 WeakPolarHBondContact O-CB 3.33Å; G256-F260 PolarHBondContact O-N 3.39Å
257I90.7Very high84.2Confident13 Ų1361.1 Ų61.17%0.06731%0.313CS..Hα-helixtrans-63.3-45.7175.9-63.3164.5000111C237 F240 N241 V253 S254 L255 F260 Y261C237-I257 HydrophobicContact CB-CG2 3.56Å; F240-I257 HydrophobicContact CD1-CD1 3.56Å; F240-I257 HydrophobicContact CD1-CG1 3.54Å; F240-I257 HydrophobicContact CE1-CD1 4.08Å; F240-I257 HydrophobicContact CE1-CG1 3.88Å; N241-I257 HydrophobicContact CB-CD1 4.04Å; V253-I257 HydrophobicContact CG1-CD1 4.25Å; V253-I257 VanDerWaalsContact O-CG1 3.31Å; V253-I257 WeakPolarHBondContact O-CG1 3.48Å; V253-I257 PolarHBondContact O-N 3.41Å; S254-I257 PolarHBondContact O-N 3.24Å; L255-I257 VanDerWaalsContact C-N 3.34Å; L255-I257 PolarHBondContact O-N 3.45Å; I257-F260 PolarHBondContact O-N 2.81Å; I257-Y261 PolarHBondContact O-N 2.78Å
258H90.8Very high86.2Confident19 Ų1953.9 Ų53.99%0.08828%0.279CS..Hα-helixtrans-67.4-41.1179.6-68.380.7000111.2S254 L255 F260 Y261 T262 R467 Y556S254-H258 PolarHBondContact O-N 2.96Å; S254-H258 VanDerWaalsContact O-N 3.14Å; S254-H258 PolarHBondContact O-ND1 3.02Å; L255-H258 PolarHBondContact O-N 2.84Å; H258-F260 PolarHBondContact O-N 3.34Å; H258-Y261 PolarHBondContact O-N 3.41Å; H258-T262 WeakPolarHBondContact O-CG2 3.33Å; H258-T262 PolarHBondContact O-N 3.28Å; H258-T262 PolarHBondContact O-OG1 3.26Å; H258-R467 PolarHBondContact NE2-NH1 3.42Å; H258-Y556 HydrophobicContact CB-CD2 3.99Å; H258-Y556 HydrophobicContact CB-CE2 3.69Å; H258-Y556 PolarHBondContact CD2-O 3.18Å
259L91.5Very high88.5Confident63 Ų6351 Ų5133%0.3326%0.259SS..Hα-helixtrans-59.4-44.6174.217363000111.7L255 G256 Y261 T262 V263 L619 F641L255-L259 WeakPolarHBondContact O-CB 3.33Å; L255-L259 PolarHBondContact O-N 3.43Å; G256-L259 PolarHBondContact O-N 2.94Å; L259-Y261 VanDerWaalsContact C-N 3.34Å; L259-Y261 PolarHBondContact O-N 3.45Å; L259-T262 WeakPolarHBondContact CA-OG1 3.42Å; L259-T262 PolarHBondContact O-N 3.43Å; L259-T262 PolarHBondContact O-OG1 3.26Å; L259-V263 HydrophobicContact CD1-CG2 3.96Å; L259-V263 VanDerWaalsContact O-CG2 3.3Å; L259-V263 WeakPolarHBondContact O-CG2 3.47Å; L259-V263 PolarHBondContact O-N 3.05Å; L259-V263 VanDerWaalsContact O-N 3.07Å; L259-L619 HydrophobicContact CB-CD1 3.96Å; L259-L619 HydrophobicContact CD1-CD1 3.38Å; L259-L619 HydrophobicContact CG-CD1 4.23Å; L259-F641 HydrophobicContact CD1-CE2 3.89Å; L259-F641 HydrophobicContact CD1-CZ 3.6Å
260F93.4Very high90Very high118 Ų11842 Ų4252%0.51822%0.217SC..Hα-helixtrans-59.4-47.5176.2170.2-97.1000111.2G256 I257 H258 F264G256-F260 WeakPolarHBondContact O-CB 3.33Å; G256-F260 PolarHBondContact O-N 3.39Å; I257-F260 PolarHBondContact O-N 2.81Å; H258-F260 PolarHBondContact O-N 3.34Å; F260-F264 WeakPolarHBondContact O-CB 3.42Å; F260-F264 PolarHBondContact O-N 3.15Å
261Y94.1Very high91.2Very high1 Ų141.1 Ų41.10%0.00421%0.212CC..Hα-helixtrans-65.2-40.6179.7-175.6-98.1000112.8A233 I257 H258 L259 F264 M265 A555 P559 T563A233-Y261 HydrophobicContact CB-CD2 4.46Å; I257-Y261 PolarHBondContact O-N 2.78Å; H258-Y261 PolarHBondContact O-N 3.41Å; L259-Y261 VanDerWaalsContact C-N 3.34Å; L259-Y261 PolarHBondContact O-N 3.45Å; Y261-F264 WeakPolarHBondContact O-CB 3.38Å; Y261-F264 PolarHBondContact O-N 2.91Å; Y261-M265 HydrophobicContact CD1-CG 3.86Å; Y261-M265 HydrophobicContact CD2-CG 4.4Å; Y261-M265 HydrophobicContact CE1-CG 3.32Å; Y261-M265 HydrophobicContact CE1-SD 4.24Å; Y261-M265 HydrophobicContact CE2-CG 3.93Å; Y261-M265 HydrophobicContact CE2-SD 4.17Å; Y261-M265 HydrophobicContact CG-CG 4.38Å; Y261-M265 WeakPolarHBondContact O-CB 3.34Å; Y261-M265 WeakPolarHBondContact O-CG 3.43Å; Y261-M265 PolarHBondContact O-N 3.46Å; Y261-M265 PolarHBondContact OH-SD 3.09Å; Y261-A555 WeakPolarHBondContact CD1-O 3.37Å; Y261-A555 HydrophobicContact CE1-CB 4.21Å; Y261-A555 WeakPolarHBondContact CE1-O 3.31Å; Y261-P559 HydrophobicContact CD1-CB 3.79Å; Y261-P559 HydrophobicContact CD1-CG 4.04Å; Y261-P559 HydrophobicContact CD2-CB 3.86Å; Y261-P559 VanDerWaalsContact CE1-CA 3.43Å; Y261-P559 HydrophobicContact CE1-CB 4.14Å; Y261-P559 HydrophobicContact CE2-CB 4.19Å; Y261-P559 WeakPolarHBondContact CE2-O 3.35Å; Y261-P559 HydrophobicContact CG-CB 3.64Å; Y261-P559 HydrophobicContact CG-CG 4.12Å; Y261-P559 PolarHBondContact OH-O 3.47Å; Y261-P559 VanDerWaalsContact OH-O 3.04Å; Y261-T563 PolarHBondContact OH-OG1 2.82Å
262T93.8Very high92.1Very high1 Ų134 Ų341%0.00618%0.181CC..Hα-helixtrans-63.9-47.2178.4520000111.8H258 L259 F264 M265 I266 Y556 N615H258-T262 WeakPolarHBondContact O-CG2 3.33Å; H258-T262 PolarHBondContact O-N 3.28Å; H258-T262 PolarHBondContact O-OG1 3.26Å; L259-T262 WeakPolarHBondContact CA-OG1 3.42Å; L259-T262 PolarHBondContact O-N 3.43Å; L259-T262 PolarHBondContact O-OG1 3.26Å; T262-F264 VanDerWaalsContact C-N 3.3Å; T262-F264 PolarHBondContact O-N 3.23Å; T262-M265 PolarHBondContact O-N 2.98Å; T262-I266 VanDerWaalsContact O-CG1 3.29Å; T262-I266 WeakPolarHBondContact O-CG1 3.4Å; T262-I266 PolarHBondContact O-N 3.49Å; T262-Y556 HydrophobicContact CG2-CD2 3.82Å; T262-Y556 HydrophobicContact CG2-CG 4.16Å; T262-N615 HydrophobicContact CG2-CB 4.45Å
263V94.3Very high92.8Very high37 Ų3729.2 Ų29.222%0.22416%0.16CC..Hα-helixtrans-60.1-45.1176.2174.90000109.6L259 M265 I266 L267 F641 L645L259-V263 HydrophobicContact CD1-CG2 3.96Å; L259-V263 VanDerWaalsContact O-CG2 3.3Å; L259-V263 WeakPolarHBondContact O-CG2 3.47Å; L259-V263 PolarHBondContact O-N 3.05Å; L259-V263 VanDerWaalsContact O-N 3.07Å; V263-M265 VanDerWaalsContact C-N 3.34Å; V263-M265 PolarHBondContact O-N 3.32Å; V263-I266 PolarHBondContact O-N 3.03Å; V263-L267 HydrophobicContact CG1-CD1 4.11Å; V263-L267 HydrophobicContact CG1-CG 4.45Å; V263-L267 VanDerWaalsContact O-CG 3.27Å; V263-L267 WeakPolarHBondContact O-CG 3.48Å; V263-L267 PolarHBondContact O-N 3.29Å; V263-F641 HydrophobicContact CG2-CE2 4.25Å; V263-F641 HydrophobicContact CG2-CZ 3.97Å; V263-L645 HydrophobicContact CG1-CD2 4.21Å; V263-L645 HydrophobicContact CG2-CD2 4.24Å
264F96.1Very high93.2Very high66 Ų6627 Ų2729%0.28915%0.146SC..Hα-helixtrans-56.9-46.4175.2179.4-89.1000112.2C229 P230 A233 F260 Y261 T262 L267 W268C229-F264 HydrophobicContact CB-CZ 4.33Å; P230-F264 HydrophobicContact CG-CE1 4.47Å; A233-F264 HydrophobicContact CB-CD1 3.63Å; A233-F264 HydrophobicContact CB-CD2 4.34Å; A233-F264 HydrophobicContact CB-CE1 3.5Å; A233-F264 VanDerWaalsContact CB-CE1 3.5Å; A233-F264 HydrophobicContact CB-CE2 4.21Å; A233-F264 HydrophobicContact CB-CG 4.06Å; A233-F264 HydrophobicContact CB-CZ 3.8Å; F260-F264 WeakPolarHBondContact O-CB 3.42Å; F260-F264 PolarHBondContact O-N 3.15Å; Y261-F264 WeakPolarHBondContact O-CB 3.38Å; Y261-F264 PolarHBondContact O-N 2.91Å; T262-F264 VanDerWaalsContact C-N 3.3Å; T262-F264 PolarHBondContact O-N 3.23Å; F264-L267 PolarHBondContact O-N 2.95Å; F264-W268 HydrophobicContact CE1-CB 4.26Å; F264-W268 VanDerWaalsContact O-CB 3.24Å; F264-W268 WeakPolarHBondContact O-CB 3.27Å; F264-W268 PolarHBondContact O-N 3.5Å
265M95.9Very high93.7Very high0 Ų028 Ų280%015%0.149CC..Hα-helixtrans-67.7-37.1-178.9-76.6-59.1-69.700113.4P230 Y261 T262 V263 W268 A269 L551 A555P230-M265 HydrophobicContact CB-CE 4.32Å; P230-M265 HydrophobicContact CB-SD 3.62Å; P230-M265 HydrophobicContact CG-CE 4.23Å; P230-M265 HydrophobicContact CG-SD 3.68Å; Y261-M265 HydrophobicContact CD1-CG 3.86Å; Y261-M265 HydrophobicContact CD2-CG 4.4Å; Y261-M265 HydrophobicContact CE1-CG 3.32Å; Y261-M265 HydrophobicContact CE1-SD 4.24Å; Y261-M265 HydrophobicContact CE2-CG 3.93Å; Y261-M265 HydrophobicContact CE2-SD 4.17Å; Y261-M265 HydrophobicContact CG-CG 4.38Å; Y261-M265 WeakPolarHBondContact O-CB 3.34Å; Y261-M265 WeakPolarHBondContact O-CG 3.43Å; Y261-M265 PolarHBondContact O-N 3.46Å; Y261-M265 PolarHBondContact OH-SD 3.09Å; T262-M265 PolarHBondContact O-N 2.98Å; V263-M265 VanDerWaalsContact C-N 3.34Å; V263-M265 PolarHBondContact O-N 3.32Å; M265-W268 HydrophobicContact CE-CE3 3.85Å; M265-W268 HydrophobicContact CE-CZ3 4.02Å; M265-W268 PolarHBondContact O-N 2.78Å; M265-W268 HydrophobicContact SD-CE3 4.34Å; M265-A269 WeakPolarHBondContact O-CB 3.44Å; M265-A269 PolarHBondContact O-N 3.26Å; M265-L551 HydrophobicContact CE-CB 4.23Å; M265-A555 HydrophobicContact CB-CB 3.53Å; M265-A555 HydrophobicContact CG-CB 3.8Å
266I94.9Very high94.2Very high1 Ų127.3 Ų27.31%0.00514%0.144CC..Hα-helixtrans-61.8-49.4173.7-70.9162.2000110.1T262 V263 W268 A269 V270 V612 N615 L645T262-I266 VanDerWaalsContact O-CG1 3.29Å; T262-I266 WeakPolarHBondContact O-CG1 3.4Å; T262-I266 PolarHBondContact O-N 3.49Å; V263-I266 PolarHBondContact O-N 3.03Å; I266-W268 VanDerWaalsContact C-N 3.33Å; I266-W268 PolarHBondContact O-N 3.29Å; I266-A269 PolarHBondContact O-N 3.08Å; I266-V270 PolarHBondContact O-N 2.87Å; I266-V612 HydrophobicContact CG2-CG2 3.65Å; I266-N615 HydrophobicContact CD1-CB 3.82Å; I266-N615 HydrophobicContact CG1-CB 4.33Å; I266-L645 HydrophobicContact CD1-CD1 3.78Å
267L95.1Very high94.4Very high43 Ų4327.1 Ų27.123%0.22513%0.133CC..Hα-helixtrans-63.6-42177.4-61.3177.7000111.1V263 F264 A269 V270 I271 I648 I652V263-L267 HydrophobicContact CG1-CD1 4.11Å; V263-L267 HydrophobicContact CG1-CG 4.45Å; V263-L267 VanDerWaalsContact O-CG 3.27Å; V263-L267 WeakPolarHBondContact O-CG 3.48Å; V263-L267 PolarHBondContact O-N 3.29Å; F264-L267 PolarHBondContact O-N 2.95Å; L267-A269 VanDerWaalsContact C-N 3.34Å; L267-A269 PolarHBondContact O-N 2.93Å; L267-V270 PolarHBondContact O-N 2.81Å; L267-I271 WeakPolarHBondContact O-CB 3.47Å; L267-I271 VanDerWaalsContact O-CG1 3.22Å; L267-I271 WeakPolarHBondContact O-CG1 3.5Å; L267-I271 PolarHBondContact O-N 3.05Å; L267-I648 HydrophobicContact CD2-CB 4.41Å; L267-I648 HydrophobicContact CD2-CG2 3.45Å; L267-I648 VanDerWaalsContact CD2-CG2 3.45Å; L267-I652 HydrophobicContact CB-CD1 4.47Å; L267-I652 HydrophobicContact CD2-CD1 3.67Å
268W96.6Very high94.5Very high17 Ų1730.7 Ų30.76%0.06415%0.146CC..Hα-helixtrans-61-40.4175.6175.986.5000111.8Y223 Y226 L227 P230 F264 M265 I266 V270 I271 C272 H548 V552Y223-W268 AromaticContact CE2-CH2 3.96Å; Y223-W268 HydrophobicContact CE2-CH2 3.96Å; Y226-W268 PolarHBondContact O-NE1 3.42Å; L227-W268 HydrophobicContact CD2-CH2 3.99Å; L227-W268 HydrophobicContact CD2-CZ2 4.2Å; P230-W268 VanDerWaalsContact CD-NE1 3.33Å; P230-W268 HydrophobicContact CG-CD2 3.61Å; P230-W268 VanDerWaalsContact CG-CE2 3.43Å; P230-W268 HydrophobicContact CG-CE3 4.15Å; P230-W268 HydrophobicContact CG-CG 3.92Å; P230-W268 HydrophobicContact CG-CH2 4.32Å; P230-W268 HydrophobicContact CG-CZ2 3.82Å; P230-W268 HydrophobicContact CG-CZ3 4.48Å; F264-W268 HydrophobicContact CE1-CB 4.26Å; F264-W268 VanDerWaalsContact O-CB 3.24Å; F264-W268 WeakPolarHBondContact O-CB 3.27Å; F264-W268 PolarHBondContact O-N 3.5Å; M265-W268 HydrophobicContact CE-CE3 3.85Å; M265-W268 HydrophobicContact CE-CZ3 4.02Å; M265-W268 PolarHBondContact O-N 2.78Å; M265-W268 HydrophobicContact SD-CE3 4.34Å; I266-W268 VanDerWaalsContact C-N 3.33Å; I266-W268 PolarHBondContact O-N 3.29Å; W268-V270 PolarHBondContact O-N 3.3Å; W268-I271 PolarHBondContact O-N 2.89Å; W268-C272 HydrophobicContact CD2-CB 4.29Å; W268-C272 HydrophobicContact CZ2-CB 4.25Å; W268-C272 WeakPolarHBondContact O-CA 3.42Å; W268-C272 WeakPolarHBondContact O-CB 3.38Å; W268-C272 PolarHBondContact O-N 2.99Å; W268-H548 AromaticContact CZ3-CE1 3.86Å; W268-V552 HydrophobicContact CE3-CG1 4.25Å; W268-V552 HydrophobicContact CZ3-CG1 3.83Å
269A96.2Very high94.6Very high0 Ų032.9 Ų32.90%016%0.156CC..Hα-helixtrans-61.7-45.517800000111.5M265 I266 L267 T273 V552 A608M265-A269 WeakPolarHBondContact O-CB 3.44Å; M265-A269 PolarHBondContact O-N 3.26Å; I266-A269 PolarHBondContact O-N 3.08Å; L267-A269 VanDerWaalsContact C-N 3.34Å; L267-A269 PolarHBondContact O-N 2.93Å; A269-T273 WeakPolarHBondContact O-CG2 3.18Å; A269-T273 PolarHBondContact O-N 3.28Å; A269-T273 VanDerWaalsContact O-N 3.07Å; A269-T273 PolarHBondContact O-OG1 3.32Å; A269-T273 VanDerWaalsContact O-OG1 3.07Å; A269-V552 HydrophobicContact CB-CB 4.17Å; A269-V552 HydrophobicContact CB-CG1 3.77Å; A269-A608 HydrophobicContact CB-CB 3.94Å
270V95.2Very high94.7Very high4 Ų431.1 Ų31.12%0.02415%0.145CC..Hα-helixtrans-65.7-41.7176.5-179.90000111.4I266 L267 W268 T273 K274 A649 I652I266-V270 PolarHBondContact O-N 2.87Å; L267-V270 PolarHBondContact O-N 2.81Å; W268-V270 PolarHBondContact O-N 3.3Å; V270-T273 PolarHBondContact O-OG1 2.82Å; V270-K274 WeakPolarHBondContact O-CG 3.42Å; V270-K274 PolarHBondContact O-N 3.26Å; V270-A649 HydrophobicContact CG2-CB 4Å; V270-I652 HydrophobicContact CG1-CB 4.14Å; V270-I652 HydrophobicContact CG1-CG2 3.77Å
271I95.7Very high94.5Very high59 Ų5926.7 Ų26.730%0.30313%0.127SC..Hα-helixtrans-68.4-44.4178.1-67.7166.5000110.8L267 W268 T273 K274 L275 I652 I656L267-I271 WeakPolarHBondContact O-CB 3.47Å; L267-I271 VanDerWaalsContact O-CG1 3.22Å; L267-I271 WeakPolarHBondContact O-CG1 3.5Å; L267-I271 PolarHBondContact O-N 3.05Å; W268-I271 PolarHBondContact O-N 2.89Å; I271-T273 PolarHBondContact O-N 3.09Å; I271-K274 PolarHBondContact O-N 3.13Å; I271-L275 HydrophobicContact CG2-CD1 3.76Å; I271-L275 HydrophobicContact CG2-CG 4Å; I271-L275 WeakPolarHBondContact O-CB 3.32Å; I271-L275 VanDerWaalsContact O-CG 3.31Å; I271-L275 WeakPolarHBondContact O-CG 3.28Å; I271-L275 PolarHBondContact O-N 3.29Å; I271-I652 HydrophobicContact CD1-CD1 4.36Å; I271-I652 HydrophobicContact CG1-CD1 4.31Å; I271-I652 HydrophobicContact CG1-CG2 3.83Å; I271-I656 HydrophobicContact CG1-CD1 4.44Å
272C95.6Very high94.3Very high2 Ų227.9 Ų27.91%0.01414%0.135CC..Hα-helixtrans-58.9-45.5-179.9178.80000111.2Y226 W268 K274 L275 W276Y226-C272 VanDerWaalsContact CD2-SG 3.58Å; W268-C272 HydrophobicContact CD2-CB 4.29Å; W268-C272 HydrophobicContact CZ2-CB 4.25Å; W268-C272 WeakPolarHBondContact O-CA 3.42Å; W268-C272 WeakPolarHBondContact O-CB 3.38Å; W268-C272 PolarHBondContact O-N 2.99Å; C272-K274 PolarHBondContact O-N 3.4Å; C272-L275 PolarHBondContact O-N 3.04Å; C272-W276 WeakPolarHBondContact O-CB 3.46Å; C272-W276 PolarHBondContact O-N 2.97Å
273T94.7Very high94Very high16 Ų1627.9 Ų27.910%0.09814%0.135CC..Hα-helixtrans-62.4-41.2176.651.60000112.1A269 V270 I271 W276 Q277 L604 A608A269-T273 WeakPolarHBondContact O-CG2 3.18Å; A269-T273 PolarHBondContact O-N 3.28Å; A269-T273 VanDerWaalsContact O-N 3.07Å; A269-T273 PolarHBondContact O-OG1 3.32Å; A269-T273 VanDerWaalsContact O-OG1 3.07Å; V270-T273 PolarHBondContact O-OG1 2.82Å; I271-T273 PolarHBondContact O-N 3.09Å; T273-W276 PolarHBondContact O-N 3.02Å; T273-Q277 WeakPolarHBondContact O-CB 3.43Å; T273-Q277 PolarHBondContact O-N 3.38Å; T273-L604 HydrophobicContact CG2-CB 3.99Å; T273-A608 HydrophobicContact CG2-CB 3.97Å
274K93.9Very high93.6Very high4 Ų426.4 Ų26.42%0.01713%0.126CC..Hα-helixtrans-66.7-44.9174.9-72.5-63.1-161.7177.80113.3V270 I271 C272 W276 Q277 R278 H653 I656 D658V270-K274 WeakPolarHBondContact O-CG 3.42Å; V270-K274 PolarHBondContact O-N 3.26Å; I271-K274 PolarHBondContact O-N 3.13Å; C272-K274 PolarHBondContact O-N 3.4Å; K274-W276 VanDerWaalsContact C-N 3.27Å; K274-W276 PolarHBondContact O-N 3.37Å; K274-Q277 PolarHBondContact O-N 2.94Å; K274-R278 WeakPolarHBondContact O-CG 3.43Å; K274-R278 PolarHBondContact O-N 2.89Å; K274-H653 VanDerWaalsContact CE-ND1 3.28Å; K274-H653 WeakPolarHBondContact CE-ND1 3.27Å; K274-H653 WeakPolarHBondContact CE-O 3.03Å; K274-H653 PolarHBondContact NZ-CE1 3.45Å; K274-H653 PolarHBondContact NZ-ND1 3.45Å; K274-H653 PolarHBondContact NZ-O 2.85Å; K274-I656 HydrophobicContact CB-CB 4.39Å; K274-I656 HydrophobicContact CB-CG2 3.96Å; K274-I656 HydrophobicContact CG-CB 4.42Å; K274-I656 HydrophobicContact CG-CG2 4.47Å; K274-D658 WeakPolarHBondContact CD-OD1 3.28Å; K274-D658 IonicContact NZ-OD1 3.48Å; K274-D658 PolarHBondContact NZ-OD1 3.16Å; K274-D658 IonicContact NZ-OD2 2.67Å
275L94.7Very high92.8Very high59 Ų5923.8 Ų23.831%0.30912%0.115SC..Hα-helixtrans-60.9-41.2176.5-70.4179000110.8Y226 I271 C272 R278 E279Y226-L275 HydrophobicContact CE1-CB 4.34Å; Y226-L275 HydrophobicContact CE1-CD1 4.22Å; Y226-L275 HydrophobicContact CE2-CB 4.35Å; I271-L275 HydrophobicContact CG2-CD1 3.76Å; I271-L275 HydrophobicContact CG2-CG 4Å; I271-L275 WeakPolarHBondContact O-CB 3.32Å; I271-L275 VanDerWaalsContact O-CG 3.31Å; I271-L275 WeakPolarHBondContact O-CG 3.28Å; I271-L275 PolarHBondContact O-N 3.29Å; C272-L275 PolarHBondContact O-N 3.04Å; L275-R278 PolarHBondContact O-N 3.33Å; L275-E279 PolarHBondContact O-N 3.48Å
276W95.1Very high92.1Very high12 Ų1230.8 Ų30.85%0.04514%0.141CC..Hα-helixtrans-65.7-43.9175.1-178.3-132.2000113.1V218 W219 Y226 C272 T273 K274 R278 E279 Y280 L601V218-W276 HydrophobicContact CB-CH2 4.33Å; V218-W276 HydrophobicContact CG1-CH2 4.03Å; V218-W276 HydrophobicContact CG1-CZ3 3.94Å; W219-W276 HydrophobicContact CB-CH2 3.52Å; W219-W276 HydrophobicContact CB-CZ2 3.48Å; W219-W276 VanDerWaalsContact CB-CZ2 3.48Å; W219-W276 HydrophobicContact CB-CZ3 4.17Å; W219-W276 HydrophobicContact CD2-CD2 4.18Å; W219-W276 AromaticContact CD2-CE2 3.97Å; W219-W276 HydrophobicContact CD2-CZ2 4.29Å; W219-W276 HydrophobicContact CE3-CB 4.21Å; W219-W276 AromaticContact CE3-CD1 3.71Å; W219-W276 AromaticContact CE3-CD2 3.19Å; W219-W276 HydrophobicContact CE3-CD2 3.19Å; W219-W276 AromaticContact CE3-CE2 3.43Å; W219-W276 VanDerWaalsContact CE3-CE2 3.43Å; W219-W276 AromaticContact CE3-CE3 3.52Å; W219-W276 HydrophobicContact CE3-CE3 3.52Å; W219-W276 AromaticContact CE3-CG 3.46Å; W219-W276 HydrophobicContact CE3-CG 3.46Å; W219-W276 VanDerWaalsContact CE3-CG 3.46Å; W219-W276 HydrophobicContact CE3-CH2 4.31Å; W219-W276 HydrophobicContact CE3-CZ2 4.03Å; W219-W276 HydrophobicContact CE3-CZ3 4.06Å; W219-W276 AromaticContact CE3-NE1 3.7Å; W219-W276 HydrophobicContact CG-CH2 4.48Å; W219-W276 HydrophobicContact CG-CZ2 4.14Å; W219-W276 HydrophobicContact CH2-CG 4.32Å; W219-W276 HydrophobicContact CZ3-CB 3.64Å; W219-W276 AromaticContact CZ3-CD1 3.65Å; W219-W276 AromaticContact CZ3-CD2 3.61Å; W219-W276 HydrophobicContact CZ3-CD2 3.61Å; W219-W276 HydrophobicContact CZ3-CE3 4.09Å; W219-W276 AromaticContact CZ3-CG 3.33Å; W219-W276 HydrophobicContact CZ3-CG 3.33Å; W219-W276 VanDerWaalsContact N-CH2 3.32Å; Y226-W276 HydrophobicContact CE2-CB 4.45Å; C272-W276 WeakPolarHBondContact O-CB 3.46Å; C272-W276 PolarHBondContact O-N 2.97Å; T273-W276 PolarHBondContact O-N 3.02Å; K274-W276 VanDerWaalsContact C-N 3.27Å; K274-W276 PolarHBondContact O-N 3.37Å; W276-R278 PolarHBondContact O-N 3.03Å; W276-E279 HydrophobicContact CE3-CB 4.04Å; W276-E279 HydrophobicContact CE3-CG 4.35Å; W276-E279 HydrophobicContact CZ3-CB 4.19Å; W276-E279 HydrophobicContact CZ3-CG 4.04Å; W276-E279 PolarHBondContact O-N 3.44Å; W276-Y280 VanDerWaalsContact O-CB 3.31Å; W276-Y280 WeakPolarHBondContact O-CB 3.34Å; W276-Y280 PolarHBondContact O-N 3.45Å; W276-L601 HydrophobicContact CG-CD1 4.39Å
277Q93.8Very high91.3Very high35 Ų3531.2 Ų31.216%0.16414%0.143CC..Hα-helixtrans-56.2-41175.9-177.8168.24.500111.9T273 K274 I281 L601 D658T273-Q277 WeakPolarHBondContact O-CB 3.43Å; T273-Q277 PolarHBondContact O-N 3.38Å; K274-Q277 PolarHBondContact O-N 2.94Å; Q277-I281 HydrophobicContact CG-CD1 4.02Å; Q277-I281 WeakPolarHBondContact O-CB 3.16Å; Q277-I281 VanDerWaalsContact O-CG1 3.3Å; Q277-I281 WeakPolarHBondContact O-CG1 3.44Å; Q277-I281 PolarHBondContact O-N 2.98Å; Q277-L601 HydrophobicContact CB-CD1 4.1Å; Q277-L601 HydrophobicContact CB-CD2 3.79Å; Q277-L601 HydrophobicContact CG-CD2 3.69Å; Q277-D658 VanDerWaalsContact CD-CG 3.42Å; Q277-D658 HydrophobicContact CG-CB 4.2Å; Q277-D658 PolarHBondContact NE2-OD2 2.88Å; Q277-D658 PolarHBondContact OE1-OD1 3.32Å
278R94.2Very high90.1Very high88 Ų8829.4 Ų29.433%0.33213%0.134SC..Hα-helixtrans-65.5-45176.3-73.6-177.879.7-146.4-2.2112.8K274 L275 W276 I281 S282 S657 D658 P660K274-R278 WeakPolarHBondContact O-CG 3.43Å; K274-R278 PolarHBondContact O-N 2.89Å; L275-R278 PolarHBondContact O-N 3.33Å; W276-R278 PolarHBondContact O-N 3.03Å; R278-I281 PolarHBondContact O-N 3.48Å; R278-S282 WeakPolarHBondContact O-CB 3.27Å; R278-S282 PolarHBondContact O-N 2.91Å; R278-S282 PolarHBondContact O-OG 3.29Å; R278-S657 VanDerWaalsContact CD-O 3.31Å; R278-S657 WeakPolarHBondContact CD-O 3.3Å; R278-S657 WeakPolarHBondContact CG-O 3.46Å; R278-D658 VanDerWaalsContact CG-O 3.32Å; R278-D658 WeakPolarHBondContact CG-O 3.3Å; R278-P660 HydrophobicContact CB-CG 3.78Å; R278-P660 HydrophobicContact CG-CG 4.12Å; R278-P660 WeakPolarHBondContact O-CG 3.32Å
279E92.9Very high88.2Confident64 Ų6430.5 Ų30.530%0.29915%0.15SC..Hα-helixtrans-66.8-42.1177.8-172.460.6-157.800111.3V218 L275 W276 I281 S282 C283 R286V218-E279 HydrophobicContact CG1-CG 4.23Å; L275-E279 PolarHBondContact O-N 3.48Å; W276-E279 HydrophobicContact CE3-CB 4.04Å; W276-E279 HydrophobicContact CE3-CG 4.35Å; W276-E279 HydrophobicContact CZ3-CB 4.19Å; W276-E279 HydrophobicContact CZ3-CG 4.04Å; W276-E279 PolarHBondContact O-N 3.44Å; E279-I281 PolarHBondContact O-N 2.98Å; E279-S282 WeakPolarHBondContact O-CB 3.48Å; E279-S282 PolarHBondContact O-N 3.34Å; E279-C283 WeakPolarHBondContact O-CB 3.38Å; E279-C283 PolarHBondContact O-N 3.35Å; E279-C283 PolarHBondContact O-SG 3.07Å; E279-R286 IonicContact OE1-NH2 3.7Å
280Y92.1Very high86.2Confident27 Ų2731.6 Ų31.611%0.10616%0.156CC..Hα-helixtrans-56.7-50.1173.8174.9-98000111F215 W276 S282 C283 V284 G596F215-Y280 AromaticContact CD1-CD2 3.52Å; F215-Y280 HydrophobicContact CD1-CD2 3.52Å; F215-Y280 AromaticContact CD1-CE2 3.69Å; F215-Y280 HydrophobicContact CD1-CE2 3.69Å; F215-Y280 HydrophobicContact CD2-CE2 4.31Å; F215-Y280 AromaticContact CE1-CD2 3.44Å; F215-Y280 HydrophobicContact CE1-CD2 3.44Å; F215-Y280 VanDerWaalsContact CE1-CD2 3.44Å; F215-Y280 AromaticContact CE1-CE2 3.5Å; F215-Y280 HydrophobicContact CE1-CE2 3.5Å; F215-Y280 HydrophobicContact CE1-CG 4.34Å; F215-Y280 HydrophobicContact CE2-CE2 4.17Å; F215-Y280 HydrophobicContact CG-CD2 4.3Å; F215-Y280 HydrophobicContact CG-CE2 4.1Å; F215-Y280 HydrophobicContact CZ-CD2 4.18Å; F215-Y280 AromaticContact CZ-CE2 3.78Å; F215-Y280 HydrophobicContact CZ-CE2 3.78Å; W276-Y280 VanDerWaalsContact O-CB 3.31Å; W276-Y280 WeakPolarHBondContact O-CB 3.34Å; W276-Y280 PolarHBondContact O-N 3.45Å; Y280-S282 VanDerWaalsContact C-N 3.3Å; Y280-S282 PolarHBondContact O-N 3.44Å; Y280-C283 PolarHBondContact O-N 3.33Å; Y280-V284 HydrophobicContact CD1-CG2 4.07Å; Y280-V284 HydrophobicContact CD2-CG2 4.49Å; Y280-V284 HydrophobicContact CE1-CG2 3.66Å; Y280-V284 HydrophobicContact CE2-CG2 4.12Å; Y280-V284 HydrophobicContact CG-CG2 4.47Å; Y280-V284 VanDerWaalsContact O-CG2 3.3Å; Y280-V284 WeakPolarHBondContact O-CG2 3.46Å; Y280-V284 PolarHBondContact O-N 2.81Å; Y280-G596 PolarHBondContact OH-O 2.92Å
281I89.4Confident84.1Confident25 Ų2533.2 Ų33.213%0.12817%0.17CC..Hα-helixtrans-62.9-37.3178.3-73.7165.5000111.6Q277 R278 E279 V284 D285 D658 I659 V663Q277-I281 HydrophobicContact CG-CD1 4.02Å; Q277-I281 WeakPolarHBondContact O-CB 3.16Å; Q277-I281 VanDerWaalsContact O-CG1 3.3Å; Q277-I281 WeakPolarHBondContact O-CG1 3.44Å; Q277-I281 PolarHBondContact O-N 2.98Å; R278-I281 PolarHBondContact O-N 3.48Å; E279-I281 PolarHBondContact O-N 2.98Å; I281-V284 PolarHBondContact O-N 3.31Å; I281-D285 WeakPolarHBondContact O-CB 3.46Å; I281-D285 PolarHBondContact O-N 3.13Å; I281-D658 HydrophobicContact CD1-CB 4.46Å; I281-D658 WeakPolarHBondContact CD1-O 3.35Å; I281-I659 HydrophobicContact CD1-CG1 4.31Å; I281-I659 HydrophobicContact CG2-CG2 4.46Å; I281-V663 HydrophobicContact CG2-CG1 3.95Å
282S89.9Confident81.8Confident26 Ų2634.7 Ų34.718%0.18218%0.178CC..Hα-helixtrans-65.2-41.5175.2-58.30000112.2R278 E279 Y280 D285 R286 P660R278-S282 WeakPolarHBondContact O-CB 3.27Å; R278-S282 PolarHBondContact O-N 2.91Å; R278-S282 PolarHBondContact O-OG 3.29Å; E279-S282 WeakPolarHBondContact O-CB 3.48Å; E279-S282 PolarHBondContact O-N 3.34Å; Y280-S282 VanDerWaalsContact C-N 3.3Å; Y280-S282 PolarHBondContact O-N 3.44Å; S282-D285 PolarHBondContact O-N 3.35Å; S282-R286 VanDerWaalsContact O-CB 3.24Å; S282-R286 WeakPolarHBondContact O-CB 3.46Å; S282-R286 PolarHBondContact O-N 2.88Å; S282-P660 WeakPolarHBondContact OG-CG 3.36Å
283C88.3Confident79.8Confident0 Ų035.7 Ų35.70%018%0.183CC..Hα-helixtrans-66-46.5174.8-68.80000111.2F215 E279 Y280 D285 R286 W287F215-C283 HydrophobicContact CD1-CB 4.34Å; F215-C283 HydrophobicContact CE1-CB 3.67Å; E279-C283 WeakPolarHBondContact O-CB 3.38Å; E279-C283 PolarHBondContact O-N 3.35Å; E279-C283 PolarHBondContact O-SG 3.07Å; Y280-C283 PolarHBondContact O-N 3.33Å; C283-D285 VanDerWaalsContact C-N 3.32Å; C283-D285 PolarHBondContact O-N 3.37Å; C283-R286 PolarHBondContact O-N 3.09Å; C283-R286 PolarHBondContact SG-NH2 3.42Å; C283-R286 VanDerWaalsContact SG-NH2 3.39Å; C283-W287 HydrophobicContact CB-CD2 4.13Å; C283-W287 HydrophobicContact CB-CE3 4.11Å; C283-W287 HydrophobicContact CB-CH2 4.02Å; C283-W287 HydrophobicContact CB-CZ2 4.04Å; C283-W287 HydrophobicContact CB-CZ3 4.08Å; C283-W287 VanDerWaalsContact O-CB 3.24Å; C283-W287 WeakPolarHBondContact O-CB 3.48Å; C283-W287 PolarHBondContact O-N 3.28Å
284V84.4Confident77.8Confident7 Ų735.2 Ų35.24%0.04218%0.179CC..Hα-helixtrans-52.9-51.1173.1166.60000110F215 Y280 I281 S288 L593 R595F215-V284 HydrophobicContact CE1-CG2 4Å; F215-V284 HydrophobicContact CZ-CG2 3.54Å; Y280-V284 HydrophobicContact CD1-CG2 4.07Å; Y280-V284 HydrophobicContact CD2-CG2 4.49Å; Y280-V284 HydrophobicContact CE1-CG2 3.66Å; Y280-V284 HydrophobicContact CE2-CG2 4.12Å; Y280-V284 HydrophobicContact CG-CG2 4.47Å; Y280-V284 VanDerWaalsContact O-CG2 3.3Å; Y280-V284 WeakPolarHBondContact O-CG2 3.46Å; Y280-V284 PolarHBondContact O-N 2.81Å; I281-V284 PolarHBondContact O-N 3.31Å; V284-S288 WeakPolarHBondContact O-CA 3.31Å; V284-S288 WeakPolarHBondContact O-CB 3.49Å; V284-S288 PolarHBondContact O-N 2.89Å; V284-S288 PolarHBondContact O-OG 2.64Å; V284-L593 HydrophobicContact CB-CD2 4.32Å; V284-L593 HydrophobicContact CG1-CD2 3.9Å; V284-L593 HydrophobicContact CG2-CD2 4.21Å; V284-R595 HydrophobicContact CG1-CG 3.88Å
285D80.4Confident75.6Confident11 Ų1139 Ų396%0.05920%0.2CC..Hα-helixtrans-63.2-48.8-178.2-165.975.9000112.2I281 S282 C283 W287 S288 G289 R595 V663 R667 R670I281-D285 WeakPolarHBondContact O-CB 3.46Å; I281-D285 PolarHBondContact O-N 3.13Å; S282-D285 PolarHBondContact O-N 3.35Å; C283-D285 VanDerWaalsContact C-N 3.32Å; C283-D285 PolarHBondContact O-N 3.37Å; D285-W287 PolarHBondContact O-N 3.26Å; D285-S288 WeakPolarHBondContact CA-OG 3.46Å; D285-S288 PolarHBondContact O-N 3.19Å; D285-S288 PolarHBondContact O-OG 3.47Å; D285-G289 PolarHBondContact O-N 2.95Å; D285-R595 IonicContact OD1-NH2 2.82Å; D285-R595 PolarHBondContact OD1-NH2 3.09Å; D285-V663 HydrophobicContact CB-CG1 3.72Å; D285-V663 HydrophobicContact CB-CG2 4.24Å; D285-R667 IonicContact OD1-NE 3.93Å; D285-R670 IonicContact OD1-CZ 2.72Å; D285-R670 IonicContact OD1-NH1 3.31Å; D285-R670 PolarHBondContact OD1-NH1 3.33Å; D285-R670 IonicContact OD1-NH2 3.96Å; D285-R670 IonicContact OD2-CZ 2.7Å; D285-R670 IonicContact OD2-NH1 2.72Å; D285-R670 PolarHBondContact OD2-NH1 3.42Å; D285-R670 IonicContact OD2-NH2 3.2Å; D285-R670 PolarHBondContact OD2-NH2 3.12Å
286R80.7Confident73.7Confident147 Ų14736.9 Ų36.956%0.55519%0.19SC*.Hα-helixtrans-60.9-41.9179.2177.516746.5149.4-6112.9E279 S282 C283E279-R286 IonicContact OE1-NH2 3.7Å; S282-R286 VanDerWaalsContact O-CB 3.24Å; S282-R286 WeakPolarHBondContact O-CB 3.46Å; S282-R286 PolarHBondContact O-N 2.88Å; C283-R286 PolarHBondContact O-N 3.09Å; C283-R286 PolarHBondContact SG-NH2 3.42Å; C283-R286 VanDerWaalsContact SG-NH2 3.39Å
287W78.4Confident71.7Confident10 Ų1036.7 Ų36.74%0.03819%0.192CC..Hα-helixtrans-81.8-32.6-178.4-59.3-22000112.3E203 F215 V218 C283 D285 G289 L593E203-W287 PolarHBondContact OE2-NE1 3.5Å; F215-W287 HydrophobicContact CB-CZ3 4.45Å; F215-W287 HydrophobicContact CD1-CE3 4.31Å; F215-W287 HydrophobicContact CD1-CH2 4.07Å; F215-W287 AromaticContact CD1-CZ3 3.47Å; F215-W287 HydrophobicContact CD1-CZ3 3.47Å; F215-W287 VanDerWaalsContact CD1-CZ3 3.47Å; F215-W287 HydrophobicContact CD2-CE3 4.36Å; F215-W287 AromaticContact CD2-CZ3 3.77Å; F215-W287 HydrophobicContact CD2-CZ3 3.77Å; F215-W287 AromaticContact CE1-CE3 3.82Å; F215-W287 HydrophobicContact CE1-CE3 3.82Å; F215-W287 HydrophobicContact CE1-CH2 4.27Å; F215-W287 AromaticContact CE1-CZ3 3.44Å; F215-W287 HydrophobicContact CE1-CZ3 3.44Å; F215-W287 VanDerWaalsContact CE1-CZ3 3.44Å; F215-W287 AromaticContact CE2-CE3 3.87Å; F215-W287 HydrophobicContact CE2-CE3 3.87Å; F215-W287 AromaticContact CE2-CZ3 3.73Å; F215-W287 HydrophobicContact CE2-CZ3 3.73Å; F215-W287 HydrophobicContact CG-CH2 4.37Å; F215-W287 AromaticContact CG-CZ3 3.63Å; F215-W287 HydrophobicContact CG-CZ3 3.63Å; F215-W287 AromaticContact CZ-CE3 3.56Å; F215-W287 HydrophobicContact CZ-CE3 3.56Å; F215-W287 AromaticContact CZ-CZ3 3.55Å; F215-W287 HydrophobicContact CZ-CZ3 3.55Å; V218-W287 HydrophobicContact CG2-CH2 3.78Å; V218-W287 HydrophobicContact CG2-CZ2 3.88Å; C283-W287 HydrophobicContact CB-CD2 4.13Å; C283-W287 HydrophobicContact CB-CE3 4.11Å; C283-W287 HydrophobicContact CB-CH2 4.02Å; C283-W287 HydrophobicContact CB-CZ2 4.04Å; C283-W287 HydrophobicContact CB-CZ3 4.08Å; C283-W287 VanDerWaalsContact O-CB 3.24Å; C283-W287 WeakPolarHBondContact O-CB 3.48Å; C283-W287 PolarHBondContact O-N 3.28Å; D285-W287 PolarHBondContact O-N 3.26Å; W287-G289 PolarHBondContact O-N 3.07Å; W287-L593 HydrophobicContact CB-CD1 3.86Å; W287-L593 HydrophobicContact CE3-CD1 3.92Å
288S70.6Confident69.9Low5 Ų538.6 Ų38.64%0.03520%0.203CC..SBendtrans-72.9-1.7172.374.40000114.1V284 D285 N290V284-S288 WeakPolarHBondContact O-CA 3.31Å; V284-S288 WeakPolarHBondContact O-CB 3.49Å; V284-S288 PolarHBondContact O-N 2.89Å; V284-S288 PolarHBondContact O-OG 2.64Å; D285-S288 WeakPolarHBondContact CA-OG 3.46Å; D285-S288 PolarHBondContact O-N 3.19Å; D285-S288 PolarHBondContact O-OG 3.47Å; S288-N290 CarbonylContact O-C 3.46Å; S288-N290 VanDerWaalsContact O-C 3.3Å; S288-N290 PolarHBondContact O-N 2.82Å; S288-N290 VanDerWaalsContact O-O 3.09Å
289G55.9Low68.1Low39 Ų3939.3 Ų39.340%0.40221%0.213SC..  trans-55.1-4.5-176.200000116.3D285 W287 A291D285-G289 PolarHBondContact O-N 2.95Å; W287-G289 PolarHBondContact O-N 3.07Å; G289-A291 VanDerWaalsContact C-N 3.33Å; G289-A291 PolarHBondContact O-N 3.48Å
290N54.7Low66.7Low23 Ų2338.6 Ų38.612%0.12321%0.211CC..  trans-6794.1157.2-70.11.9000108.5K117 S288 L292 I293 E294K117-N290 PolarHBondContact NZ-OD1 2.74Å; S288-N290 CarbonylContact O-C 3.46Å; S288-N290 VanDerWaalsContact O-C 3.3Å; S288-N290 PolarHBondContact O-N 2.82Å; S288-N290 VanDerWaalsContact O-O 3.09Å; N290-L292 PolarHBondContact O-N 3.03Å; N290-I293 HydrophobicContact CB-CB 4.38Å; N290-I293 HydrophobicContact CB-CD1 4.03Å; N290-I293 HydrophobicContact CB-CG1 4.04Å; N290-I293 PolarHBondContact O-N 3.11Å; N290-E294 PolarHBondContact O-N 2.88Å; N290-E294 VanDerWaalsContact O-N 3.1Å
291A49.8Very low65.4Low38 Ų3841 Ų4131%0.31423%0.229SC..Hα-helixtrans-53.1-18.5175.800000113.6G289 L295G289-A291 VanDerWaalsContact C-N 3.33Å; G289-A291 PolarHBondContact O-N 3.48Å; A291-L295 WeakPolarHBondContact O-CB 3.37Å; A291-L295 PolarHBondContact O-N 3.03Å
292L48.9Very low64.3Low90 Ų9045 Ų4547%0.47124%0.243SC..Hα-helixtrans-68.7-40.1171.3-161.4128.9000112.9N290 A296N290-L292 PolarHBondContact O-N 3.03Å; L292-A296 WeakPolarHBondContact O-CB 3.47Å; L292-A296 PolarHBondContact O-N 3.5Å
293I52.7Low63.2Low24 Ų2446.7 Ų46.712%0.12325%0.249CC..Hα-helixtrans-74.8-34.7173.4-57.3174.8000109.6W120 N290 A296 A297W120-I293 HydrophobicContact CH2-CD1 3.9Å; W120-I293 HydrophobicContact CH2-CG1 4.24Å; W120-I293 HydrophobicContact CZ2-CD1 3.55Å; W120-I293 HydrophobicContact CZ2-CG1 4.07Å; N290-I293 HydrophobicContact CB-CB 4.38Å; N290-I293 HydrophobicContact CB-CD1 4.03Å; N290-I293 HydrophobicContact CB-CG1 4.04Å; N290-I293 PolarHBondContact O-N 3.11Å; I293-A296 PolarHBondContact O-N 3.47Å; I293-A297 HydrophobicContact CG2-CB 4.48Å; I293-A297 WeakPolarHBondContact O-CA 3.49Å; I293-A297 WeakPolarHBondContact O-CB 3.45Å; I293-A297 PolarHBondContact O-N 3.25Å
294E52.4Low62.2Low5 Ų547.7 Ų47.72%0.02325%0.253CS..Hα-helixtrans-62.9-48.4172.8-175174.2-160.700111.8N290 A296 A297 N298 R595 R670 R674N290-E294 PolarHBondContact O-N 2.88Å; N290-E294 VanDerWaalsContact O-N 3.1Å; E294-A296 VanDerWaalsContact C-N 3.34Å; E294-A297 PolarHBondContact O-N 2.98Å; E294-N298 WeakPolarHBondContact O-CB 3.3Å; E294-N298 PolarHBondContact O-N 2.92Å; E294-R595 IonicContact OE1-CZ 3.83Å; E294-R595 IonicContact OE1-NH1 3.54Å; E294-R595 PolarHBondContact OE1-NH1 3.28Å; E294-R595 IonicContact OE1-NH2 3.13Å; E294-R595 PolarHBondContact OE1-NH2 2.79Å; E294-R595 IonicContact OE2-NH2 3.87Å; E294-R670 IonicContact OE1-NH1 2.66Å; E294-R670 WeakPolarHBondContact OE2-CD 3.48Å; E294-R670 IonicContact OE2-NE 3.47Å; E294-R670 IonicContact OE2-NH1 3.78Å; E294-R674 IonicContact OE1-NH2 3.64Å; E294-R674 PolarHBondContact OE1-NH2 3.24Å; E294-R674 VanDerWaalsContact OE1-NH2 3.13Å; E294-R674 IonicContact OE2-NH2 2.64Å; E294-R674 PolarHBondContact OE2-NH2 2.78Å
295L49Very low61.4Low84 Ų8451.5 Ų51.544%0.4427%0.274SS..Hα-helixtrans-58.7-47.5174.9-166.889.9000110.2A291 D299A291-L295 WeakPolarHBondContact O-CB 3.37Å; A291-L295 PolarHBondContact O-N 3.03Å; L295-D299 WeakPolarHBondContact O-CA 3.31Å; L295-D299 VanDerWaalsContact O-CB 3.23Å; L295-D299 WeakPolarHBondContact O-CB 3.39Å; L295-D299 PolarHBondContact O-N 2.94Å
296A53Low60.9Low14 Ų1453 Ų5312%0.11628%0.28CS..Hα-helixtrans-70-43.7-179.100000112.2L292 I293 E294 L300 T301 F304L292-A296 WeakPolarHBondContact O-CB 3.47Å; L292-A296 PolarHBondContact O-N 3.5Å; I293-A296 PolarHBondContact O-N 3.47Å; E294-A296 VanDerWaalsContact C-N 3.34Å; A296-L300 HydrophobicContact CB-CB 4.43Å; A296-L300 HydrophobicContact CB-CD1 4.06Å; A296-L300 CarbonylContact O-C 3.46Å; A296-L300 WeakPolarHBondContact O-CA 3.36Å; A296-L300 WeakPolarHBondContact O-CB 3.48Å; A296-L300 PolarHBondContact O-N 3.2Å; A296-T301 PolarHBondContact O-N 3.47Å; A296-F304 HydrophobicContact CB-CE2 3.49Å; A296-F304 VanDerWaalsContact CB-CE2 3.49Å; A296-F304 HydrophobicContact CB-CZ 3.92Å; A296-F304 WeakPolarHBondContact O-CD2 3.21Å; A296-F304 VanDerWaalsContact O-CE2 3.27Å; A296-F304 WeakPolarHBondContact O-CE2 3.17Å
297A54.7Low60.4Low9 Ų948.9 Ų48.97%0.07427%0.268CS..Hα-helixtrans-73.3-32.4-172.700000112.1I293 E294 T301 F304 L594I293-A297 HydrophobicContact CG2-CB 4.48Å; I293-A297 WeakPolarHBondContact O-CA 3.49Å; I293-A297 WeakPolarHBondContact O-CB 3.45Å; I293-A297 PolarHBondContact O-N 3.25Å; E294-A297 PolarHBondContact O-N 2.98Å; A297-T301 WeakPolarHBondContact O-CG2 3.32Å; A297-F304 HydrophobicContact CB-CE2 4.15Å; A297-L594 HydrophobicContact CB-CD2 4.45Å
298N55.2Low60.3Low74 Ų7450.4 Ų50.440%0.39628%0.277SS..Hα-helixtrans-88.3-46.5176.9-780.4000112.4E294 R595E294-N298 WeakPolarHBondContact O-CB 3.3Å; E294-N298 PolarHBondContact O-N 2.92Å; N298-R595 PolarHBondContact ND2-NH1 2.8Å
299D57.5Low60.9Low103 Ų10350.8 Ų50.855%0.55128%0.278SS*.Hα-helixtrans-93.6-26.7-173.8-55.2-31.6000112.9L295L295-D299 WeakPolarHBondContact O-CA 3.31Å; L295-D299 VanDerWaalsContact O-CB 3.23Å; L295-D299 WeakPolarHBondContact O-CB 3.39Å; L295-D299 PolarHBondContact O-N 2.94Å
300L62.8Low62.4Low50 Ų5049.4 Ų49.426%0.26226%0.261SS..  trans-109.637.9177.1-62.5116.3000112.5A296 W302 L303 F304A296-L300 HydrophobicContact CB-CB 4.43Å; A296-L300 HydrophobicContact CB-CD1 4.06Å; A296-L300 CarbonylContact O-C 3.46Å; A296-L300 WeakPolarHBondContact O-CA 3.36Å; A296-L300 WeakPolarHBondContact O-CB 3.48Å; A296-L300 PolarHBondContact O-N 3.2Å; L300-W302 HydrophobicContact CD2-CZ2 3.87Å; L300-W302 PolarHBondContact O-N 3.45Å; L300-L303 HydrophobicContact CB-CB 3.94Å; L300-L303 HydrophobicContact CB-CD2 4.49Å; L300-L303 HydrophobicContact CD2-CB 4.4Å; L300-L303 HydrophobicContact CD2-CD2 4.26Å; L300-L303 WeakPolarHBondContact O-CA 3.32Å; L300-L303 WeakPolarHBondContact O-CB 3.3Å; L300-L303 PolarHBondContact O-N 3.38Å; L300-F304 PolarHBondContact O-N 2.76Å
301T64.6Low63.7Low78 Ų7849.6 Ų49.648%0.47926%0.264SS..Hα-helixtrans-47.4-36.9172.640.30000112.9A296 A297 L303 F304 N305A296-T301 PolarHBondContact O-N 3.47Å; A297-T301 WeakPolarHBondContact O-CG2 3.32Å; T301-L303 VanDerWaalsContact C-N 3.35Å; T301-L303 PolarHBondContact O-N 2.8Å; T301-F304 PolarHBondContact O-N 3.5Å; T301-N305 PolarHBondContact O-N 3.48Å; T301-N305 PolarHBondContact O-ND2 3.38Å
302W66.3Low65.5Low109 Ų10951.2 Ų51.241%0.41327%0.269SS..Hα-helixtrans-62-37.2175.470.7-92.4000113.2L300 N305 F306 T323 L325L300-W302 HydrophobicContact CD2-CZ2 3.87Å; L300-W302 PolarHBondContact O-N 3.45Å; W302-N305 PolarHBondContact O-N 2.85Å; W302-F306 VanDerWaalsContact O-CB 3.29Å; W302-F306 WeakPolarHBondContact O-CB 3.5Å; W302-F306 PolarHBondContact O-N 2.81Å; W302-T323 HydrophobicContact CB-CG2 4.16Å; W302-T323 HydrophobicContact CD2-CG2 4.23Å; W302-T323 HydrophobicContact CG-CG2 4.02Å; W302-L325 HydrophobicContact CZ3-CD1 4.12Å
303L66.8Low67.4Low60 Ų6047.3 Ų47.331%0.31425%0.249SC..Hα-helixtrans-69-39.2178.5-178.867.1000110.6L300 T301 F306 I307L300-L303 HydrophobicContact CB-CB 3.94Å; L300-L303 HydrophobicContact CB-CD2 4.49Å; L300-L303 HydrophobicContact CD2-CB 4.4Å; L300-L303 HydrophobicContact CD2-CD2 4.26Å; L300-L303 WeakPolarHBondContact O-CA 3.32Å; L300-L303 WeakPolarHBondContact O-CB 3.3Å; L300-L303 PolarHBondContact O-N 3.38Å; T301-L303 VanDerWaalsContact C-N 3.35Å; T301-L303 PolarHBondContact O-N 2.8Å; L303-F306 WeakPolarHBondContact O-CB 3.45Å; L303-F306 PolarHBondContact O-N 2.89Å; L303-I307 HydrophobicContact CD1-CD1 4.42Å; L303-I307 HydrophobicContact CG-CD1 4.06Å; L303-I307 VanDerWaalsContact O-CG1 3.3Å; L303-I307 WeakPolarHBondContact O-CG1 3.36Å; L303-I307 PolarHBondContact O-N 3.39Å
304F66.5Low69.1Low21 Ų2150.4 Ų50.49%0.09226%0.263CS..Hα-helixtrans-67.9-43.5174.8-76.5-80.6000112.2A296 A297 L300 T301 F306 I307 D308 L592 L594A296-F304 HydrophobicContact CB-CE2 3.49Å; A296-F304 VanDerWaalsContact CB-CE2 3.49Å; A296-F304 HydrophobicContact CB-CZ 3.92Å; A296-F304 WeakPolarHBondContact O-CD2 3.21Å; A296-F304 VanDerWaalsContact O-CE2 3.27Å; A296-F304 WeakPolarHBondContact O-CE2 3.17Å; A297-F304 HydrophobicContact CB-CE2 4.15Å; L300-F304 PolarHBondContact O-N 2.76Å; T301-F304 PolarHBondContact O-N 3.5Å; F304-F306 PolarHBondContact O-N 2.98Å; F304-I307 PolarHBondContact O-N 3.05Å; F304-I307 VanDerWaalsContact O-N 3.09Å; F304-D308 WeakPolarHBondContact O-CB 3.39Å; F304-D308 PolarHBondContact O-N 3.48Å; F304-L592 HydrophobicContact CD1-CD1 4.21Å; F304-L592 HydrophobicContact CE1-CB 4.49Å; F304-L592 HydrophobicContact CE1-CD1 3.96Å; F304-L592 HydrophobicContact CE1-CD2 4.36Å; F304-L594 HydrophobicContact CB-CD2 4.11Å; F304-L594 HydrophobicContact CD1-CD2 3.95Å; F304-L594 HydrophobicContact CD2-CD2 4.5Å; F304-L594 HydrophobicContact CG-CD2 3.91Å
305N69.2Low70.9Confident88 Ų8851.7 Ų51.747%0.47128%0.277SS..Hα-helixtrans-60.5-29.9172.8-70.2-17.2000111.7T301 W302 Q309T301-N305 PolarHBondContact O-N 3.48Å; T301-N305 PolarHBondContact O-ND2 3.38Å; W302-N305 PolarHBondContact O-N 2.85Å; N305-Q309 WeakPolarHBondContact O-CB 3.46Å; N305-Q309 PolarHBondContact O-N 3.3Å
306F68.6Low72.8Confident43 Ų4351.7 Ų51.719%0.18928%0.281CS..Hα-helixtrans-73.1-36175-172-89.3000112.8S159 R161 W302 L303 F304S159-F306 WeakPolarHBondContact O-CZ 3.31Å; R161-F306 HydrophobicContact CG-CE1 4.47Å; R161-F306 HydrophobicContact CG-CZ 3.98Å; R161-F306 VanDerWaalsContact NH1-CD2 3.27Å; R161-F306 PolarHBondContact NH1-O 3.05Å; W302-F306 VanDerWaalsContact O-CB 3.29Å; W302-F306 WeakPolarHBondContact O-CB 3.5Å; W302-F306 PolarHBondContact O-N 2.81Å; L303-F306 WeakPolarHBondContact O-CB 3.45Å; L303-F306 PolarHBondContact O-N 2.89Å; F304-F306 PolarHBondContact O-N 2.98Å
307I71.4Confident74.4Confident59 Ų5954.6 Ų54.630%0.30329%0.289SS..Hα-helixtrans-78.8-38.5177.6-66.8164.8000111.8L303 F304 Q309L303-I307 HydrophobicContact CD1-CD1 4.42Å; L303-I307 HydrophobicContact CG-CD1 4.06Å; L303-I307 VanDerWaalsContact O-CG1 3.3Å; L303-I307 WeakPolarHBondContact O-CG1 3.36Å; L303-I307 PolarHBondContact O-N 3.39Å; F304-I307 PolarHBondContact O-N 3.05Å; F304-I307 VanDerWaalsContact O-N 3.09Å; I307-Q309 VanDerWaalsContact C-N 3.31Å
308D76.1Confident76Confident43 Ų4358.7 Ų58.723%0.2330%0.302CS..SBendtrans-92.212.2-176.8-164.838.6000113.2F304 R310 T433 N434F304-D308 WeakPolarHBondContact O-CB 3.39Å; F304-D308 PolarHBondContact O-N 3.48Å; D308-R310 PolarHBondContact O-N 3.37Å; D308-T433 WeakPolarHBondContact O-CA 3.5Å; D308-N434 PolarHBondContact O-N 3.38Å; D308-N434 VanDerWaalsContact O-N 3.11Å; D308-N434 PolarHBondContact O-ND2 2.67Å; D308-N434 WeakPolarHBondContact OD1-CB 3.34Å; D308-N434 PolarHBondContact OD1-ND2 2.8Å
309Q82.5Confident77.5Confident13 Ų1361.5 Ų61.56%0.06131%0.313CS..BIsolated β-bridgetrans-65.7131.8175.9-176.3171.3-24.300110F165 N305 I307 C432F165-Q309 HydrophobicContact CE2-CB 4.48Å; F165-Q309 HydrophobicContact CE2-CG 4.44Å; F165-Q309 WeakPolarHBondContact CE2-O 3.03Å; N305-Q309 WeakPolarHBondContact O-CB 3.46Å; N305-Q309 PolarHBondContact O-N 3.3Å; I307-Q309 VanDerWaalsContact C-N 3.31Å; Q309-C432 WeakPolarHBondContact CA-O 3.45Å
310R87.4Confident78.7Confident9 Ų957.1 Ų57.13%0.03429%0.29CS..  trans-73.7134.8177.6-167.2-177.971.5147.619.6110.9D308 T312 F313 E427 H431 C432 N434D308-R310 PolarHBondContact O-N 3.37Å; R310-T312 VanDerWaalsContact C-N 3.28Å; R310-T312 WeakPolarHBondContact CD-OG1 3.39Å; R310-T312 PolarHBondContact NE-OG1 2.91Å; R310-T312 PolarHBondContact NH2-O 3.28Å; R310-T312 PolarHBondContact NH2-OG1 3.48Å; R310-T312 PolarHBondContact O-N 2.89Å; R310-F313 HydrophobicContact CB-CB 4.38Å; R310-F313 VanDerWaalsContact O-CB 3.27Å; R310-F313 WeakPolarHBondContact O-CB 3.06Å; R310-F313 PolarHBondContact O-N 2.97Å; R310-F313 VanDerWaalsContact O-N 3.11Å; R310-E427 IonicContact CZ-OE1 2.84Å; R310-E427 IonicContact CZ-OE2 3.42Å; R310-E427 IonicContact NH1-OE1 3.44Å; R310-E427 PolarHBondContact NH1-OE1 2.95Å; R310-E427 IonicContact NH1-OE2 3.28Å; R310-E427 PolarHBondContact NH1-OE2 3.47Å; R310-E427 IonicContact NH2-OE1 3.67Å; R310-E427 PolarHBondContact NH2-OE1 3.42Å; R310-E427 IonicContact NH2-OE2 2.77Å; R310-E427 PolarHBondContact NH2-OE2 2.83Å; R310-H431 PolarHBondContact NE-O 3.15Å; R310-C432 PolarHBondContact N-O 3.48Å; R310-N434 WeakPolarHBondContact CB-OD1 3.44Å; R310-N434 WeakPolarHBondContact CG-OD1 3.34Å
311P83.2Confident79.9Confident28 Ų2866.2 Ų66.218%0.18232%0.321CS..THydrogen-bonded Turntrans-64.6-28.8-178.825.9-36.5000113.7F165 E168 C169 F313F165-P311 HydrophobicContact CD2-CB 4.37Å; F165-P311 HydrophobicContact CE2-CB 4.05Å; E168-P311 HydrophobicContact CG-CB 4.36Å; E168-P311 HydrophobicContact CG-CG 3.98Å; C169-P311 VanDerWaalsContact SG-CB 3.58Å; P311-F313 VanDerWaalsContact C-N 3.31Å
312T86.2Confident80.6Confident71 Ų7169 Ų6944%0.43634%0.338SS..THydrogen-bonded Turntrans-87.52.3177.760.90000113.3R310 H314 E427R310-T312 VanDerWaalsContact C-N 3.28Å; R310-T312 WeakPolarHBondContact CD-OG1 3.39Å; R310-T312 PolarHBondContact NE-OG1 2.91Å; R310-T312 PolarHBondContact NH2-O 3.28Å; R310-T312 PolarHBondContact NH2-OG1 3.48Å; R310-T312 PolarHBondContact O-N 2.89Å; T312-H314 PolarHBondContact O-N 3.29Å; T312-E427 VanDerWaalsContact CB-OE1 3.25Å; T312-E427 WeakPolarHBondContact CB-OE1 3.14Å; T312-E427 PolarHBondContact OG1-OE1 3.48Å
313F89.8Confident81.2Confident8 Ų866.4 Ų66.44%0.03533%0.334CS..  trans-67.7129.6172.7-179.7-116.7000110.1R310 P311 L328 N430 H431 C432R310-F313 HydrophobicContact CB-CB 4.38Å; R310-F313 VanDerWaalsContact O-CB 3.27Å; R310-F313 WeakPolarHBondContact O-CB 3.06Å; R310-F313 PolarHBondContact O-N 2.97Å; R310-F313 VanDerWaalsContact O-N 3.11Å; P311-F313 VanDerWaalsContact C-N 3.31Å; F313-L328 HydrophobicContact CD1-CB 4.21Å; F313-L328 HydrophobicContact CD1-CD2 3.51Å; F313-L328 HydrophobicContact CD1-CG 4.16Å; F313-L328 HydrophobicContact CE1-CB 3.93Å; F313-L328 HydrophobicContact CE1-CD2 3.83Å; F313-L328 HydrophobicContact CE1-CG 3.96Å; F313-L328 WeakPolarHBondContact CE1-O 3.2Å; F313-L328 HydrophobicContact CG-CD2 4.32Å; F313-L328 WeakPolarHBondContact O-CD2 3.44Å; F313-N430 WeakPolarHBondContact CA-OD1 3.44Å; F313-N430 WeakPolarHBondContact CD2-OD1 3.34Å; F313-N430 WeakPolarHBondContact CE2-O 3.36Å; F313-H431 VanDerWaalsContact CD2-O 3.26Å; F313-H431 WeakPolarHBondContact CD2-O 3.43Å; F313-C432 HydrophobicContact CD1-CB 4.3Å; F313-C432 HydrophobicContact CD2-CB 4.16Å; F313-C432 HydrophobicContact CE1-CB 4.11Å; F313-C432 HydrophobicContact CE2-CB 3.96Å; F313-C432 HydrophobicContact CG-CB 4.34Å; F313-C432 HydrophobicContact CZ-CB 3.95Å
314H88.8Confident81.9Confident90 Ų9065.2 Ų65.242%0.41734%0.337SS..  trans-126.1152.9-179.559.3-85.5000112T312 Y330 N430T312-H314 PolarHBondContact O-N 3.29Å; H314-Y330 WeakPolarHBondContact O-CD2 3.14Å; H314-N430 PolarHBondContact CE1-OD1 3.39Å; H314-N430 PolarHBondContact N-OD1 3.03Å; H314-N430 PolarHBondContact ND1-OD1 2.99Å; H314-N430 VanDerWaalsContact ND1-OD1 3.12Å; H314-N430 PolarHBondContact O-ND2 3.43Å
315G89.7Confident82.5Confident32 Ų3268.5 Ų68.533%0.3336%0.355SS..  trans-179.5-167.5-178.400000112.8L328 H329G315-L328 WeakPolarHBondContact O-CD1 3.21Å; G315-H329 WeakPolarHBondContact CA-O 3.09Å
316T88.5Confident83.2Confident83 Ų8368.1 Ų68.151%0.50935%0.351SS..EExtended strand (participates in β ladder)trans-96.2129.7172.854.20000109.1R318 H329T316-R318 PolarHBondContact O-N 2.79Å; T316-H329 PolarHBondContact N-O 2.84Å; T316-H329 PolarHBondContact O-N 3.21Å; T316-H329 PolarHBondContact OG1-O 2.97Å; T316-H329 VanDerWaalsContact OG1-O 3.13Å
317W87.3Confident83.9Confident76 Ų7668.8 Ų68.829%0.28835%0.354SS..EExtended strand (participates in β ladder)trans-61.3126.8170.1-72.3103.5000110.1E155 Y156 M326 L328E155-W317 HydrophobicContact CB-CD2 4.1Å; E155-W317 HydrophobicContact CB-CE3 4.4Å; E155-W317 HydrophobicContact CB-CH2 3.65Å; E155-W317 HydrophobicContact CB-CZ2 3.31Å; E155-W317 HydrophobicContact CB-CZ3 4.19Å; E155-W317 HydrophobicContact CG-CD2 4.24Å; E155-W317 HydrophobicContact CG-CZ2 4.21Å; Y156-W317 AromaticContact CD1-CH2 3.53Å; Y156-W317 HydrophobicContact CD1-CH2 3.53Å; Y156-W317 AromaticContact CD1-CZ2 3.82Å; Y156-W317 HydrophobicContact CD1-CZ2 3.82Å; Y156-W317 AromaticContact CE1-CH2 3.41Å; Y156-W317 HydrophobicContact CE1-CH2 3.41Å; Y156-W317 VanDerWaalsContact CE1-CH2 3.41Å; Y156-W317 AromaticContact CE1-CZ2 3.5Å; Y156-W317 HydrophobicContact CE1-CZ2 3.5Å; Y156-W317 HydrophobicContact CE2-CZ2 4.39Å; Y156-W317 HydrophobicContact CG-CH2 4.39Å; Y156-W317 HydrophobicContact CG-CZ2 4.37Å; Y156-W317 AromaticContact CZ-CZ2 3.82Å; W317-M326 HydrophobicContact CB-CE 3.87Å; W317-M326 HydrophobicContact CE3-CB 4.03Å; W317-M326 HydrophobicContact CZ3-CB 4.22Å; W317-L328 HydrophobicContact CD2-CD1 4.14Å; W317-L328 HydrophobicContact CG-CD1 4.31Å; W317-L328 HydrophobicContact CZ2-CD1 4.49Å
318R87.8Confident84.6Confident94 Ų9466.8 Ų66.836%0.35535%0.345SS..EExtended strand (participates in β ladder)trans-138.615417372.3173.7-172-175.5-0.9109.8T316 S320 E327 H329T316-R318 PolarHBondContact O-N 2.79Å; R318-S320 PolarHBondContact O-N 3.04Å; R318-E327 HydrophobicContact CG-CG 3.93Å; R318-E327 IonicContact CZ-OE1 2.63Å; R318-E327 PolarHBondContact N-O 3.24Å; R318-E327 IonicContact NE-OE1 3.34Å; R318-E327 PolarHBondContact NE-OE1 3.26Å; R318-E327 IonicContact NH2-OE1 3.18Å; R318-E327 PolarHBondContact NH2-OE1 3.26Å; R318-E327 PolarHBondContact O-N 3.43Å; R318-E327 VanDerWaalsContact O-O 3.13Å; R318-H329 HydrophobicContact CG-CB 3.6Å; R318-H329 VanDerWaalsContact NE-CB 3.28Å; R318-H329 VanDerWaalsContact NE-CG 3.28Å; R318-H329 PolarHBondContact NH1-CD2 3Å; R318-H329 VanDerWaalsContact NH1-CD2 3.26Å; R318-H329 PolarHBondContact NH1-CE1 2.78Å; R318-H329 VanDerWaalsContact NH1-CG 3.3Å; R318-H329 PolarHBondContact NH1-ND1 3.48Å; R318-H329 PolarHBondContact NH1-NE2 2.73Å; R318-H329 VanDerWaalsContact NH1-NE2 3.15Å; R318-H329 PolarHBondContact NH2-ND1 2.71Å
319Q86.9Confident85.2Confident134 Ų13467.2 Ų67.263%0.62635%0.345SS*.EExtended strand (participates in β ladder)trans-72.9126.6167.3-162.3173.51600109.6R321 G324 M326Q319-R321 PolarHBondContact O-N 3.16Å; Q319-G324 WeakPolarHBondContact CG-O 3.46Å; Q319-G324 PolarHBondContact NE2-O 3.13Å; Q319-M326 HydrophobicContact CB-SD 4.35Å
320S83.5Confident85.6Confident11 Ų1167.5 Ų67.58%0.07735%0.346CS..  trans-64132.6174.6-167.20000109.8R318 V322 T323 G324 L325 E327R318-S320 PolarHBondContact O-N 3.04Å; S320-V322 PolarHBondContact O-N 3.46Å; S320-T323 WeakPolarHBondContact CB-OG1 3.43Å; S320-G324 VanDerWaalsContact O-CA 3.3Å; S320-G324 WeakPolarHBondContact O-CA 3.19Å; S320-G324 PolarHBondContact O-N 3.03Å; S320-L325 WeakPolarHBondContact CB-O 3.32Å; S320-L325 PolarHBondContact N-O 3.33Å; S320-E327 WeakPolarHBondContact CB-OE2 3.45Å; S320-E327 PolarHBondContact OG-OE2 3.44Å
321R86Confident85.9Confident241 Ų24169.1 Ų69.191%0.90936%0.357SS*.THydrogen-bonded Turntrans-69.5-18.6177-62.5-177.8-176.5-179.7-0.9112.9Q319Q319-R321 PolarHBondContact O-N 3.16Å
322V80.3Confident86.3Confident136 Ų13669.7 Ų69.782%0.82436%0.364SS*.THydrogen-bonded Turntrans-97.4-52.9-175.5-177.50000110.7S320S320-V322 PolarHBondContact O-N 3.46Å
323T79Confident86.7Confident54 Ų5469.9 Ų69.933%0.33137%0.373SS..THydrogen-bonded Turntrans-93.3-16.4-174.860.50000113.4W302 S320 L325W302-T323 HydrophobicContact CB-CG2 4.16Å; W302-T323 HydrophobicContact CD2-CG2 4.23Å; W302-T323 HydrophobicContact CG-CG2 4.02Å; S320-T323 WeakPolarHBondContact CB-OG1 3.43Å; T323-L325 PolarHBondContact O-N 3.36Å; T323-L325 VanDerWaalsContact O-N 3.13Å; T323-L325 PolarHBondContact OG1-N 2.98Å
324G81Confident86.9Confident36 Ų3675.9 Ų75.937%0.37140%0.399SS..  trans68.8-1.2-170.700000114.3Q319 S320Q319-G324 WeakPolarHBondContact CG-O 3.46Å; Q319-G324 PolarHBondContact NE2-O 3.13Å; S320-G324 VanDerWaalsContact O-CA 3.3Å; S320-G324 WeakPolarHBondContact O-CA 3.19Å; S320-G324 PolarHBondContact O-N 3.03Å
325L79.6Confident87.2Confident90 Ų9075.7 Ų75.747%0.47140%0.395SS..SBendtrans-82156177.1-61.3175000110.9W302 S320 T323 E327W302-L325 HydrophobicContact CZ3-CD1 4.12Å; S320-L325 WeakPolarHBondContact CB-O 3.32Å; S320-L325 PolarHBondContact N-O 3.33Å; T323-L325 PolarHBondContact O-N 3.36Å; T323-L325 VanDerWaalsContact O-N 3.13Å; T323-L325 PolarHBondContact OG1-N 2.98Å; L325-E327 PolarHBondContact O-N 2.74Å
326M82.7Confident87.5Confident80 Ų8082.5 Ų82.539%0.39441%0.411SS..EExtended strand (participates in β ladder)trans-71.9120.7172.8-70.5-66.6-85.200109.9W317 Q319W317-M326 HydrophobicContact CB-CE 3.87Å; W317-M326 HydrophobicContact CE3-CB 4.03Å; W317-M326 HydrophobicContact CZ3-CB 4.22Å; Q319-M326 HydrophobicContact CB-SD 4.35Å
327E84.1Confident87.8Confident56 Ų5684.2 Ų84.226%0.26242%0.416SS..EExtended strand (participates in β ladder)trans-121.8147.217765.4177.5-152.500110.6R318 S320 L325 H329R318-E327 HydrophobicContact CG-CG 3.93Å; R318-E327 IonicContact CZ-OE1 2.63Å; R318-E327 PolarHBondContact N-O 3.24Å; R318-E327 IonicContact NE-OE1 3.34Å; R318-E327 PolarHBondContact NE-OE1 3.26Å; R318-E327 IonicContact NH2-OE1 3.18Å; R318-E327 PolarHBondContact NH2-OE1 3.26Å; R318-E327 PolarHBondContact O-N 3.43Å; R318-E327 VanDerWaalsContact O-O 3.13Å; S320-E327 WeakPolarHBondContact CB-OE2 3.45Å; S320-E327 PolarHBondContact OG-OE2 3.44Å; L325-E327 PolarHBondContact O-N 2.74Å; E327-H329 PolarHBondContact O-N 3.49Å
328L86.2Confident88.2Confident18 Ų1883.4 Ų83.49%0.09441%0.413CS..EExtended strand (participates in β ladder)trans-78.8121.4172.1-161.968.8000108.5F313 G315 W317F313-L328 HydrophobicContact CD1-CB 4.21Å; F313-L328 HydrophobicContact CD1-CD2 3.51Å; F313-L328 HydrophobicContact CD1-CG 4.16Å; F313-L328 HydrophobicContact CE1-CB 3.93Å; F313-L328 HydrophobicContact CE1-CD2 3.83Å; F313-L328 HydrophobicContact CE1-CG 3.96Å; F313-L328 WeakPolarHBondContact CE1-O 3.2Å; F313-L328 HydrophobicContact CG-CD2 4.32Å; F313-L328 WeakPolarHBondContact O-CD2 3.44Å; G315-L328 WeakPolarHBondContact O-CD1 3.21Å; W317-L328 HydrophobicContact CD2-CD1 4.14Å; W317-L328 HydrophobicContact CG-CD1 4.31Å; W317-L328 HydrophobicContact CZ2-CD1 4.49Å
329H88.7Confident88.6Confident52 Ų5282.8 Ų82.824%0.24141%0.411CS..EExtended strand (participates in β ladder)trans-119.3132.9-178.8179.564.5000112.2G315 T316 R318 E327G315-H329 WeakPolarHBondContact CA-O 3.09Å; T316-H329 PolarHBondContact N-O 2.84Å; T316-H329 PolarHBondContact O-N 3.21Å; T316-H329 PolarHBondContact OG1-O 2.97Å; T316-H329 VanDerWaalsContact OG1-O 3.13Å; R318-H329 HydrophobicContact CG-CB 3.6Å; R318-H329 VanDerWaalsContact NE-CB 3.28Å; R318-H329 VanDerWaalsContact NE-CG 3.28Å; R318-H329 PolarHBondContact NH1-CD2 3Å; R318-H329 VanDerWaalsContact NH1-CD2 3.26Å; R318-H329 PolarHBondContact NH1-CE1 2.78Å; R318-H329 VanDerWaalsContact NH1-CG 3.3Å; R318-H329 PolarHBondContact NH1-ND1 3.48Å; R318-H329 PolarHBondContact NH1-NE2 2.73Å; R318-H329 VanDerWaalsContact NH1-NE2 3.15Å; R318-H329 PolarHBondContact NH2-ND1 2.71Å; E327-H329 PolarHBondContact O-N 3.49Å
330Y91.5Very high89.1Confident19 Ų1982.7 Ų82.78%0.07541%0.412CS..  trans-108.4125.1171.6-165.1-95.9000110.6H314 A332 K334 R335 R338 N430H314-Y330 WeakPolarHBondContact O-CD2 3.14Å; Y330-A332 PolarHBondContact O-N 2.7Å; Y330-K334 HydrophobicContact CE1-CB 3.86Å; Y330-R335 HydrophobicContact CD1-CB 3.81Å; Y330-R335 HydrophobicContact CD1-CG 4.24Å; Y330-R335 HydrophobicContact CE1-CB 3.9Å; Y330-R335 HydrophobicContact CE1-CG 4.45Å; Y330-R338 VanDerWaalsContact OH-CZ 3.31Å; Y330-R338 PolarHBondContact OH-NE 3.5Å; Y330-R338 PolarHBondContact OH-NH2 3.35Å; Y330-N430 WeakPolarHBondContact CD2-ND2 3.21Å
331P93.1Very high89.7Confident42 Ų4283.6 Ų83.627%0.27342%0.42SS..  trans-57.3128-177.5-26.934.6000113.4A333 K334 R335P331-A333 VanDerWaalsContact C-N 3.31Å; P331-A333 PolarHBondContact O-N 3.44Å; P331-K334 HydrophobicContact CB-CB 4.49Å; P331-K334 HydrophobicContact CB-CD 4.4Å; P331-K334 HydrophobicContact CB-CG 4.35Å; P331-K334 HydrophobicContact CG-CD 4.37Å; P331-K334 PolarHBondContact O-N 2.91Å; P331-R335 PolarHBondContact O-N 3.43Å
332A91.8Very high90.2Very high40 Ų4072.1 Ų72.133%0.33138%0.377SS..Hα-helixtrans-60.8-35.3-175.100000113.7Y330 R335 R336Y330-A332 PolarHBondContact O-N 2.7Å; A332-R335 PolarHBondContact O-N 3.12Å; A332-R336 WeakPolarHBondContact O-CB 3.26Å; A332-R336 VanDerWaalsContact O-CG 3.29Å; A332-R336 WeakPolarHBondContact O-CG 3.15Å; A332-R336 PolarHBondContact O-N 3.04Å
333A94Very high91Very high76 Ų7667 Ų6763%0.62835%0.353SS*.Hα-helixtrans-64.7-46.3178.600000112.1P331 R335 R336 L337P331-A333 VanDerWaalsContact C-N 3.31Å; P331-A333 PolarHBondContact O-N 3.44Å; A333-R335 VanDerWaalsContact C-N 3.28Å; A333-R335 PolarHBondContact O-N 2.96Å; A333-R336 PolarHBondContact O-N 2.99Å; A333-L337 PolarHBondContact O-N 2.96Å; A333-L337 VanDerWaalsContact O-N 3.08Å
334K94.4Very high91.9Very high133 Ų13370.1 Ų70.158%0.57837%0.366SS*.Hα-helixtrans-62.1-40175.2-65.6-175.2179.6-178.10110.7Y330 P331 L337 R338Y330-K334 HydrophobicContact CE1-CB 3.86Å; P331-K334 HydrophobicContact CB-CB 4.49Å; P331-K334 HydrophobicContact CB-CD 4.4Å; P331-K334 HydrophobicContact CB-CG 4.35Å; P331-K334 HydrophobicContact CG-CD 4.37Å; P331-K334 PolarHBondContact O-N 2.91Å; K334-L337 PolarHBondContact O-N 3.31Å; K334-R338 WeakPolarHBondContact O-CG 3.2Å; K334-R338 PolarHBondContact O-N 3.46Å; K334-R338 VanDerWaalsContact O-N 3.11Å
335R94.5Very high92.6Very high86 Ų8672 Ų7233%0.32537%0.367SS..Hα-helixtrans-63-47.4177.8-161.1167.862.3-174.10.4112.3Y330 P331 A332 A333 L337 R338 Y339Y330-R335 HydrophobicContact CD1-CB 3.81Å; Y330-R335 HydrophobicContact CD1-CG 4.24Å; Y330-R335 HydrophobicContact CE1-CB 3.9Å; Y330-R335 HydrophobicContact CE1-CG 4.45Å; P331-R335 PolarHBondContact O-N 3.43Å; A332-R335 PolarHBondContact O-N 3.12Å; A333-R335 VanDerWaalsContact C-N 3.28Å; A333-R335 PolarHBondContact O-N 2.96Å; R335-L337 VanDerWaalsContact C-N 3.3Å; R335-L337 PolarHBondContact O-N 3.05Å; R335-R338 PolarHBondContact O-N 3.39Å; R335-R338 VanDerWaalsContact O-N 3.12Å; R335-Y339 WeakPolarHBondContact CD-OH 3.44Å; R335-Y339 HydrophobicContact CG-CD1 4.27Å; R335-Y339 HydrophobicContact CG-CD2 4.48Å; R335-Y339 HydrophobicContact CG-CE1 3.67Å; R335-Y339 HydrophobicContact CG-CE2 3.91Å; R335-Y339 VanDerWaalsContact CG-CZ 3.49Å; R335-Y339 WeakPolarHBondContact O-CD1 3.4Å; R335-Y339 PolarHBondContact O-N 3.2Å
336R95.6Very high93.3Very high176 Ų17668.1 Ų68.166%0.66435%0.347SS*.Hα-helixtrans-58.8-41.8176.9-73.8172.8-175.6178.10.9111.8A332 A333 R338 Y339 M340A332-R336 WeakPolarHBondContact O-CB 3.26Å; A332-R336 VanDerWaalsContact O-CG 3.29Å; A332-R336 WeakPolarHBondContact O-CG 3.15Å; A332-R336 PolarHBondContact O-N 3.04Å; A333-R336 PolarHBondContact O-N 2.99Å; R336-R338 VanDerWaalsContact C-N 3.34Å; R336-R338 PolarHBondContact O-N 3.2Å; R336-Y339 PolarHBondContact O-N 3.31Å; R336-M340 WeakPolarHBondContact O-CG 3.33Å; R336-M340 PolarHBondContact O-N 3.39Å
337L96Very high94Very high119 Ų11969.2 Ų69.262%0.62335%0.354SS*.Hα-helixtrans-60.7-43175.5-179.363000111.7A333 K334 R335 M340 A341A333-L337 PolarHBondContact O-N 2.96Å; A333-L337 VanDerWaalsContact O-N 3.08Å; K334-L337 PolarHBondContact O-N 3.31Å; R335-L337 VanDerWaalsContact C-N 3.3Å; R335-L337 PolarHBondContact O-N 3.05Å; L337-M340 PolarHBondContact O-N 3.25Å; L337-A341 WeakPolarHBondContact O-CB 3.36Å; L337-A341 PolarHBondContact O-N 3.45Å
338R96Very high94.5Very high59 Ų5969.4 Ų69.422%0.22337%0.365CS..Hα-helixtrans-65-40.9175.4-65.9-169.6-174.7-137.8-2.1112.5Y330 K334 R335 R336 M340 A341 S342 W428Y330-R338 VanDerWaalsContact OH-CZ 3.31Å; Y330-R338 PolarHBondContact OH-NE 3.5Å; Y330-R338 PolarHBondContact OH-NH2 3.35Å; K334-R338 WeakPolarHBondContact O-CG 3.2Å; K334-R338 PolarHBondContact O-N 3.46Å; K334-R338 VanDerWaalsContact O-N 3.11Å; R335-R338 PolarHBondContact O-N 3.39Å; R335-R338 VanDerWaalsContact O-N 3.12Å; R336-R338 VanDerWaalsContact C-N 3.34Å; R336-R338 PolarHBondContact O-N 3.2Å; R338-M340 VanDerWaalsContact C-N 3.33Å; R338-M340 PolarHBondContact O-N 2.83Å; R338-A341 PolarHBondContact O-N 2.54Å; R338-S342 WeakPolarHBondContact O-CB 3.4Å; R338-S342 PolarHBondContact O-N 2.53Å; R338-W428 HydrophobicContact CB-CE3 4.04Å; R338-W428 HydrophobicContact CB-CH2 3.99Å; R338-W428 HydrophobicContact CB-CZ3 3.71Å; R338-W428 WeakPolarHBondContact CD-O 3.41Å; R338-W428 HydrophobicContact CG-CD2 4.43Å; R338-W428 HydrophobicContact CG-CE3 4.28Å; R338-W428 HydrophobicContact CG-CH2 3.77Å; R338-W428 HydrophobicContact CG-CZ2 3.9Å; R338-W428 HydrophobicContact CG-CZ3 3.97Å; R338-W428 PolarHBondContact NH1-O 3.34Å; R338-W428 VanDerWaalsContact O-CZ3 3.32Å; R338-W428 WeakPolarHBondContact O-CZ3 3.29Å
339Y95.8Very high94.9Very high80 Ų8070 Ų7031%0.31437%0.371SS..Hα-helixtrans-61.4-42.5175.5-66.9-6.3000111.5R335 R336 G343 E429 H431R335-Y339 WeakPolarHBondContact CD-OH 3.44Å; R335-Y339 HydrophobicContact CG-CD1 4.27Å; R335-Y339 HydrophobicContact CG-CD2 4.48Å; R335-Y339 HydrophobicContact CG-CE1 3.67Å; R335-Y339 HydrophobicContact CG-CE2 3.91Å; R335-Y339 VanDerWaalsContact CG-CZ 3.49Å; R335-Y339 WeakPolarHBondContact O-CD1 3.4Å; R335-Y339 PolarHBondContact O-N 3.2Å; R336-Y339 PolarHBondContact O-N 3.31Å; Y339-G343 PolarHBondContact O-N 3.37Å; Y339-E429 HydrophobicContact CD1-CB 4.1Å; Y339-E429 HydrophobicContact CD1-CG 3.83Å; Y339-E429 HydrophobicContact CE1-CB 3.86Å; Y339-E429 HydrophobicContact CE1-CG 4.09Å; Y339-H431 AromaticContact CE1-CE1 3.62Å; Y339-H431 AromaticContact CZ-CE1 3.61Å; Y339-H431 AromaticContact CZ-ND1 4Å; Y339-H431 PolarHBondContact OH-CE1 2.99Å; Y339-H431 PolarHBondContact OH-ND1 2.68Å; Y339-H431 VanDerWaalsContact OH-ND1 3.12Å
340M96.7Very high95.2Very high132 Ų13268.4 Ų68.465%0.6536%0.364SS*.Hα-helixtrans-64.3-47.2175.6-71.1178.168.400112R336 L337 R338 G343 L344R336-M340 WeakPolarHBondContact O-CG 3.33Å; R336-M340 PolarHBondContact O-N 3.39Å; L337-M340 PolarHBondContact O-N 3.25Å; R338-M340 VanDerWaalsContact C-N 3.33Å; R338-M340 PolarHBondContact O-N 2.83Å; M340-G343 PolarHBondContact O-N 3.31Å; M340-L344 WeakPolarHBondContact O-CG 3.43Å; M340-L344 PolarHBondContact O-N 2.99Å
341A97.2Very high95.3Very high30 Ų3071.1 Ų71.125%0.24839%0.385CS..Hα-helixtrans-63.5-43.4178.800000112.2L337 R338 G343 L344 I345 W428L337-A341 WeakPolarHBondContact O-CB 3.36Å; L337-A341 PolarHBondContact O-N 3.45Å; R338-A341 PolarHBondContact O-N 2.54Å; A341-G343 VanDerWaalsContact C-N 3.33Å; A341-G343 PolarHBondContact O-N 3.48Å; A341-L344 PolarHBondContact O-N 3.33Å; A341-I345 WeakPolarHBondContact O-CG1 3.43Å; A341-I345 PolarHBondContact O-N 3.26Å; A341-W428 HydrophobicContact CB-CH2 3.66Å; A341-W428 HydrophobicContact CB-CZ3 3.77Å
342S96.8Very high95.3Very high0 Ų076.6 Ų76.60%040%0.401CS..Hα-helixtrans-60.9-41.6173.41780000111.8R338 L344 I345 T346 E429 K444R338-S342 WeakPolarHBondContact O-CB 3.4Å; R338-S342 PolarHBondContact O-N 2.53Å; S342-L344 PolarHBondContact O-N 3.48Å; S342-I345 PolarHBondContact O-N 3.44Å; S342-T346 WeakPolarHBondContact O-CB 3.48Å; S342-T346 PolarHBondContact O-N 3.32Å; S342-T346 PolarHBondContact O-OG1 3.4Å; S342-E429 WeakPolarHBondContact CB-OE1 3.11Å; S342-E429 PolarHBondContact OG-OE1 3.03Å; S342-K444 WeakPolarHBondContact OG-CE 3.28Å
343G96.1Very high95.3Very high30 Ų3074.7 Ų74.731%0.30939%0.385SS..Hα-helixtrans-60.3-43.3173.600000112.8Y339 M340 A341 T346 L347Y339-G343 PolarHBondContact O-N 3.37Å; M340-G343 PolarHBondContact O-N 3.31Å; A341-G343 VanDerWaalsContact C-N 3.33Å; A341-G343 PolarHBondContact O-N 3.48Å; G343-T346 WeakPolarHBondContact O-CB 3.27Å; G343-T346 PolarHBondContact O-N 3.47Å; G343-L347 WeakPolarHBondContact O-CB 3.34Å; G343-L347 VanDerWaalsContact O-CG 3.31Å; G343-L347 WeakPolarHBondContact O-CG 3.43Å; G343-L347 PolarHBondContact O-N 2.78Å
344L97.4Very high95.2Very high118 Ų11874.9 Ų74.962%0.61838%0.375SS*.Hα-helixtrans-64.9-41.3176.2-71.2173.4000112.6M340 A341 S342 L347 A348M340-L344 WeakPolarHBondContact O-CG 3.43Å; M340-L344 PolarHBondContact O-N 2.99Å; A341-L344 PolarHBondContact O-N 3.33Å; S342-L344 PolarHBondContact O-N 3.48Å; L344-L347 PolarHBondContact O-N 3.18Å; L344-A348 WeakPolarHBondContact O-CB 3.28Å; L344-A348 PolarHBondContact O-N 3.1Å
345I96.3Very high95.1Very high75 Ų7573.5 Ų73.539%0.38537%0.369SS..Hα-helixtrans-64.9-43.7175.7-63.9164.8000110.1A341 S342 L347 A348 C349 L425A341-I345 WeakPolarHBondContact O-CG1 3.43Å; A341-I345 PolarHBondContact O-N 3.26Å; S342-I345 PolarHBondContact O-N 3.44Å; I345-L347 VanDerWaalsContact C-N 3.34Å; I345-L347 PolarHBondContact O-N 2.85Å; I345-A348 PolarHBondContact O-N 2.81Å; I345-C349 WeakPolarHBondContact O-CB 3.48Å; I345-C349 PolarHBondContact O-N 3.32Å; I345-C349 PolarHBondContact O-SG 3.5Å; I345-L425 HydrophobicContact CB-CD1 4.25Å; I345-L425 HydrophobicContact CB-CD2 4.27Å; I345-L425 HydrophobicContact CD1-CD2 3.72Å; I345-L425 HydrophobicContact CG2-CD1 3.9Å; I345-L425 HydrophobicContact CG2-CD2 4.15Å
346T95.4Very high94.9Very high9 Ų970.1 Ų70.16%0.05536%0.358CS..Hα-helixtrans-57.7-47.3175.3-55.30000110.4S342 G343 A348 C349 L350 K444 F448S342-T346 WeakPolarHBondContact O-CB 3.48Å; S342-T346 PolarHBondContact O-N 3.32Å; S342-T346 PolarHBondContact O-OG1 3.4Å; G343-T346 WeakPolarHBondContact O-CB 3.27Å; G343-T346 PolarHBondContact O-N 3.47Å; T346-A348 PolarHBondContact O-N 3.35Å; T346-C349 PolarHBondContact O-N 3.11Å; T346-L350 HydrophobicContact CG2-CD1 4.36Å; T346-L350 WeakPolarHBondContact O-CG 3.28Å; T346-L350 PolarHBondContact O-N 2.91Å; T346-K444 HydrophobicContact CG2-CG 4.39Å; T346-F448 HydrophobicContact CG2-CE2 3.81Å; T346-F448 WeakPolarHBondContact O-CZ 3.36Å
347L95.8Very high94.6Very high103 Ų10362.2 Ų62.254%0.53933%0.329SS..Hα-helixtrans-62.2-40.9176.1-73.7170.6000112.8G343 L344 I345 C349 L350 S351G343-L347 WeakPolarHBondContact O-CB 3.34Å; G343-L347 VanDerWaalsContact O-CG 3.31Å; G343-L347 WeakPolarHBondContact O-CG 3.43Å; G343-L347 PolarHBondContact O-N 2.78Å; L344-L347 PolarHBondContact O-N 3.18Å; I345-L347 VanDerWaalsContact C-N 3.34Å; I345-L347 PolarHBondContact O-N 2.85Å; L347-C349 VanDerWaalsContact C-N 3.34Å; L347-L350 HydrophobicContact CD2-CD1 4.45Å; L347-L350 PolarHBondContact O-N 2.86Å; L347-S351 PolarHBondContact O-N 3.35Å; L347-S351 PolarHBondContact O-OG 3.32Å; L347-S351 VanDerWaalsContact O-OG 3.06Å
348A95.8Very high94.3Very high60 Ų6058 Ų5850%0.49631%0.306SS..Hα-helixtrans-62.8-42.2176.200000111.7L344 I345 T346 S351 W352L344-A348 WeakPolarHBondContact O-CB 3.28Å; L344-A348 PolarHBondContact O-N 3.1Å; I345-A348 PolarHBondContact O-N 2.81Å; T346-A348 PolarHBondContact O-N 3.35Å; A348-S351 PolarHBondContact O-N 3.43Å; A348-W352 PolarHBondContact O-N 3.39Å
349C94.4Very high93.9Very high31 Ų3156 Ų5621%0.20930%0.302CS..Hα-helixtrans-66-38.4175.4-72.50000111.8I345 T346 L347 W352 A353 F448I345-C349 WeakPolarHBondContact O-CB 3.48Å; I345-C349 PolarHBondContact O-N 3.32Å; I345-C349 PolarHBondContact O-SG 3.5Å; T346-C349 PolarHBondContact O-N 3.11Å; L347-C349 VanDerWaalsContact C-N 3.34Å; C349-W352 WeakPolarHBondContact O-CB 3.34Å; C349-W352 PolarHBondContact O-N 3.19Å; C349-A353 PolarHBondContact O-N 3.08Å; C349-F448 VanDerWaalsContact C-CE1 3.41Å; C349-F448 VanDerWaalsContact C-CZ 3.49Å; C349-F448 HydrophobicContact CB-CE1 3.6Å; C349-F448 HydrophobicContact CB-CE2 4.46Å; C349-F448 HydrophobicContact CB-CZ 3.27Å; C349-F448 WeakPolarHBondContact O-CE1 3.24Å
350L94.7Very high93.6Very high18 Ų1852.6 Ų52.69%0.09429%0.29CS..Hα-helixtrans-64.6-43.1174.7-70.5171000111.3T346 L347 W352 A353 I354 L447 F448 V451T346-L350 HydrophobicContact CG2-CD1 4.36Å; T346-L350 WeakPolarHBondContact O-CG 3.28Å; T346-L350 PolarHBondContact O-N 2.91Å; L347-L350 HydrophobicContact CD2-CD1 4.45Å; L347-L350 PolarHBondContact O-N 2.86Å; L350-W352 VanDerWaalsContact C-N 3.28Å; L350-W352 PolarHBondContact O-N 2.71Å; L350-A353 WeakPolarHBondContact O-CB 3.41Å; L350-A353 PolarHBondContact O-N 3.2Å; L350-I354 WeakPolarHBondContact O-CG1 3.46Å; L350-I354 PolarHBondContact O-N 2.89Å; L350-L447 HydrophobicContact CD1-CB 4.14Å; L350-L447 HydrophobicContact CD1-CD1 4.48Å; L350-L447 HydrophobicContact CD2-CB 4.12Å; L350-L447 WeakPolarHBondContact CD2-O 3.19Å; L350-F448 HydrophobicContact CB-CZ 4.27Å; L350-F448 HydrophobicContact CD1-CE2 4.4Å; L350-F448 HydrophobicContact CD2-CB 4.42Å; L350-F448 HydrophobicContact CD2-CD1 3.93Å; L350-F448 HydrophobicContact CD2-CD2 3.43Å; L350-F448 VanDerWaalsContact CD2-CD2 3.43Å; L350-F448 HydrophobicContact CD2-CE1 3.86Å; L350-F448 HydrophobicContact CD2-CE2 3.33Å; L350-F448 HydrophobicContact CD2-CG 3.72Å; L350-F448 HydrophobicContact CD2-CZ 3.55Å; L350-F448 HydrophobicContact CG-CD2 4.15Å; L350-F448 HydrophobicContact CG-CE1 4.2Å; L350-F448 HydrophobicContact CG-CE2 3.52Å; L350-F448 HydrophobicContact CG-CZ 3.54Å; L350-F448 VanDerWaalsContact N-CZ 3.32Å; L350-V451 HydrophobicContact CD2-CB 4.45Å; L350-V451 HydrophobicContact CD2-CG2 3.89Å
351S93.9Very high93.2Very high76 Ų7646.8 Ų46.853%0.53126%0.261SS..Hα-helixtrans-61.1-38175.1-62.90000112L347 A348 F355L347-S351 PolarHBondContact O-N 3.35Å; L347-S351 PolarHBondContact O-OG 3.32Å; L347-S351 VanDerWaalsContact O-OG 3.06Å; A348-S351 PolarHBondContact O-N 3.43Å; S351-F355 WeakPolarHBondContact O-CB 3.34Å; S351-F355 PolarHBondContact O-N 3.43Å
352W92.9Very high92.7Very high157 Ų15745.3 Ų45.360%0.59525%0.249SC*.Hα-helixtrans-65.1-43.6173.7179.5-98.3000112.3A348 C349 L350 I354 F355 V356A348-W352 PolarHBondContact O-N 3.39Å; C349-W352 WeakPolarHBondContact O-CB 3.34Å; C349-W352 PolarHBondContact O-N 3.19Å; L350-W352 VanDerWaalsContact C-N 3.28Å; L350-W352 PolarHBondContact O-N 2.71Å; W352-I354 PolarHBondContact O-N 3.11Å; W352-F355 HydrophobicContact CE3-CD1 4.28Å; W352-F355 HydrophobicContact CZ3-CD1 4.12Å; W352-F355 HydrophobicContact CZ3-CE1 4.34Å; W352-F355 WeakPolarHBondContact O-CB 3.38Å; W352-F355 PolarHBondContact O-N 2.8Å; W352-V356 HydrophobicContact CD2-CG2 4.43Å; W352-V356 HydrophobicContact CZ2-CG2 4.19Å; W352-V356 WeakPolarHBondContact O-CG2 3.46Å; W352-V356 PolarHBondContact O-N 3.47Å
353A92.4Very high92.2Very high0 Ų047 Ų470%026%0.258CS..Hα-helixtrans-58.5-46.817500000111.7C349 L350 F355 V356 N357 M413 F448 V451C349-A353 PolarHBondContact O-N 3.08Å; L350-A353 WeakPolarHBondContact O-CB 3.41Å; L350-A353 PolarHBondContact O-N 3.2Å; A353-F355 VanDerWaalsContact C-N 3.32Å; A353-F355 PolarHBondContact O-N 3.41Å; A353-V356 PolarHBondContact O-N 3.18Å; A353-N357 PolarHBondContact O-N 3.29Å; A353-N357 PolarHBondContact O-ND2 3.41Å; A353-M413 HydrophobicContact CB-CE 3.46Å; A353-M413 VanDerWaalsContact CB-CE 3.46Å; A353-M413 HydrophobicContact CB-SD 3.6Å; A353-M413 VanDerWaalsContact CB-SD 3.6Å; A353-F448 HydrophobicContact CB-CD1 4.49Å; A353-V451 HydrophobicContact CB-CG1 4.22Å
354I91.8Very high91.6Very high80 Ų8047.2 Ų47.241%0.4125%0.25SS..Hα-helixtrans-58.4-44.8175.3-66.8167.5000110.8L350 W352 N357 I358 V451L350-I354 WeakPolarHBondContact O-CG1 3.46Å; L350-I354 PolarHBondContact O-N 2.89Å; W352-I354 PolarHBondContact O-N 3.11Å; I354-N357 PolarHBondContact O-N 3.48Å; I354-I358 HydrophobicContact CG2-CD1 3.7Å; I354-I358 HydrophobicContact CG2-CG1 4.47Å; I354-I358 WeakPolarHBondContact O-CD1 3.33Å; I354-I358 VanDerWaalsContact O-CG1 3.28Å; I354-I358 WeakPolarHBondContact O-CG1 3.4Å; I354-I358 PolarHBondContact O-N 3.46Å; I354-V451 HydrophobicContact CD1-CG1 4.43Å; I354-V451 HydrophobicContact CG1-CG1 3.55Å
355F91.6Very high90.8Very high104 Ų10442.7 Ų42.746%0.45623%0.233SC..Hα-helixtrans-61-45.3177.6173.6-98.5000112.4S351 W352 A353 I358 A359 I377S351-F355 WeakPolarHBondContact O-CB 3.34Å; S351-F355 PolarHBondContact O-N 3.43Å; W352-F355 HydrophobicContact CE3-CD1 4.28Å; W352-F355 HydrophobicContact CZ3-CD1 4.12Å; W352-F355 HydrophobicContact CZ3-CE1 4.34Å; W352-F355 WeakPolarHBondContact O-CB 3.38Å; W352-F355 PolarHBondContact O-N 2.8Å; A353-F355 VanDerWaalsContact C-N 3.32Å; A353-F355 PolarHBondContact O-N 3.41Å; F355-I358 PolarHBondContact O-N 3.46Å; F355-A359 PolarHBondContact O-N 3.44Å; F355-I377 HydrophobicContact CE2-CD1 4.2Å
356V90.3Very high90Very high16 Ų1643.9 Ų43.910%0.09724%0.235CC..Hα-helixtrans-62.1-44.9177.21710000110.7W352 A353 I358 A359 L360 M409W352-V356 HydrophobicContact CD2-CG2 4.43Å; W352-V356 HydrophobicContact CZ2-CG2 4.19Å; W352-V356 WeakPolarHBondContact O-CG2 3.46Å; W352-V356 PolarHBondContact O-N 3.47Å; A353-V356 PolarHBondContact O-N 3.18Å; V356-I358 VanDerWaalsContact C-N 3.34Å; V356-I358 PolarHBondContact O-N 2.96Å; V356-A359 PolarHBondContact O-N 3.35Å; V356-L360 HydrophobicContact CG1-CD1 3.67Å; V356-L360 HydrophobicContact CG1-CG 4.3Å; V356-L360 VanDerWaalsContact O-CG 3.29Å; V356-L360 WeakPolarHBondContact O-CG 3.39Å; V356-L360 PolarHBondContact O-N 2.82Å; V356-M409 HydrophobicContact CG1-CG 4Å
357N89.1Confident89.3Confident10 Ų1043.6 Ų43.65%0.05323%0.233CC..Hα-helixtrans-60.2-43.1176.4-73.5-29.3000111.7A353 I354 A359 L360 L361 D452A353-N357 PolarHBondContact O-N 3.29Å; A353-N357 PolarHBondContact O-ND2 3.41Å; I354-N357 PolarHBondContact O-N 3.48Å; N357-A359 PolarHBondContact O-N 3.29Å; N357-L360 PolarHBondContact O-N 3.46Å; N357-L361 WeakPolarHBondContact O-CB 3.48Å; N357-L361 VanDerWaalsContact O-CG 3.23Å; N357-L361 WeakPolarHBondContact O-CG 3.28Å; N357-L361 PolarHBondContact O-N 2.64Å; N357-D452 PolarHBondContact ND2-OD1 3.23Å
358I89.3Confident88.5Confident29 Ų2941.6 Ų41.615%0.14923%0.225CC..Hα-helixtrans-62.6-42.9175.3-68.3161.1000111I354 F355 V356 L361 N362 I367 F375 I377I354-I358 HydrophobicContact CG2-CD1 3.7Å; I354-I358 HydrophobicContact CG2-CG1 4.47Å; I354-I358 WeakPolarHBondContact O-CD1 3.33Å; I354-I358 VanDerWaalsContact O-CG1 3.28Å; I354-I358 WeakPolarHBondContact O-CG1 3.4Å; I354-I358 PolarHBondContact O-N 3.46Å; F355-I358 PolarHBondContact O-N 3.46Å; V356-I358 VanDerWaalsContact C-N 3.34Å; V356-I358 PolarHBondContact O-N 2.96Å; I358-L361 PolarHBondContact O-N 3.47Å; I358-N362 PolarHBondContact O-N 2.89Å; I358-N362 PolarHBondContact O-ND2 3.46Å; I358-I367 HydrophobicContact CG2-CD1 4.11Å; I358-F375 HydrophobicContact CD1-CD1 3.81Å; I358-F375 HydrophobicContact CD1-CE1 4.01Å; I358-F375 HydrophobicContact CG1-CD1 4.34Å; I358-F375 HydrophobicContact CG2-CB 4.19Å; I358-F375 HydrophobicContact CG2-CD1 4.26Å; I358-I377 HydrophobicContact CG2-CD1 4.41Å
359A89.5Confident87.8Confident17 Ų1740.9 Ų40.914%0.1422%0.22CC..Hα-helixtrans-63.7-40.8177.900000112.2F355 V356 N357 N362 M363 I377 V380F355-A359 PolarHBondContact O-N 3.44Å; V356-A359 PolarHBondContact O-N 3.35Å; N357-A359 PolarHBondContact O-N 3.29Å; A359-N362 WeakPolarHBondContact O-CB 3.31Å; A359-N362 PolarHBondContact O-N 2.91Å; A359-M363 PolarHBondContact O-N 3.26Å; A359-M363 VanDerWaalsContact O-N 3.16Å; A359-I377 HydrophobicContact CB-CD1 4.33Å; A359-V380 WeakPolarHBondContact O-CG1 3.13Å
360L89.1Confident87Confident9 Ų948 Ų485%0.04725%0.25CC..Hα-helixtrans-65.6-43.1176.4-69.3162.6000111.6V356 N357 N362 M363 E364 L405 H406 M409V356-L360 HydrophobicContact CG1-CD1 3.67Å; V356-L360 HydrophobicContact CG1-CG 4.3Å; V356-L360 VanDerWaalsContact O-CG 3.29Å; V356-L360 WeakPolarHBondContact O-CG 3.39Å; V356-L360 PolarHBondContact O-N 2.82Å; N357-L360 PolarHBondContact O-N 3.46Å; L360-N362 VanDerWaalsContact C-N 3.27Å; L360-N362 PolarHBondContact O-N 2.84Å; L360-M363 HydrophobicContact CB-CE 4.5Å; L360-M363 HydrophobicContact CD2-CE 3.3Å; L360-M363 HydrophobicContact CG-CE 4.18Å; L360-M363 WeakPolarHBondContact O-CB 3.48Å; L360-M363 PolarHBondContact O-N 2.72Å; L360-E364 PolarHBondContact O-N 2.82Å; L360-L405 HydrophobicContact CD2-CD2 4.44Å; L360-L405 HydrophobicContact CD2-CG 4.22Å; L360-H406 HydrophobicContact CB-CB 4.26Å; L360-H406 HydrophobicContact CD1-CB 4.2Å; L360-H406 HydrophobicContact CD2-CB 4.27Å; L360-H406 HydrophobicContact CG-CB 4.47Å; L360-M409 HydrophobicContact CD1-CB 4.26Å
361L86.7Confident86.2Confident10 Ų1053.8 Ų53.85%0.05227%0.274CS..Hα-helixtrans-63.4-30.8175.1-70171.3000112.8N357 I358 G365 F366 I367 Y459N357-L361 WeakPolarHBondContact O-CB 3.48Å; N357-L361 VanDerWaalsContact O-CG 3.23Å; N357-L361 WeakPolarHBondContact O-CG 3.28Å; N357-L361 PolarHBondContact O-N 2.64Å; I358-L361 PolarHBondContact O-N 3.47Å; L361-G365 PolarHBondContact O-N 3.28Å; L361-F366 HydrophobicContact CD2-CD2 3.86Å; L361-F366 HydrophobicContact CD2-CG 4.48Å; L361-F366 PolarHBondContact O-N 2.84Å; L361-F366 VanDerWaalsContact O-N 3.14Å; L361-I367 HydrophobicContact CB-CD1 3.67Å; L361-I367 HydrophobicContact CB-CG1 3.84Å; L361-I367 HydrophobicContact CD1-CD1 4.46Å; L361-Y459 HydrophobicContact CD1-CD1 4.25Å; L361-Y459 HydrophobicContact CD1-CG 4.44Å
362N87.8Confident85.5Confident0 Ų050.4 Ų50.40%025%0.25CS..Hα-helixtrans-66.7-39.7170.3-84.7-95.3000111.8I358 A359 L360 E364 G365 F375 H376 I377 V380I358-N362 PolarHBondContact O-N 2.89Å; I358-N362 PolarHBondContact O-ND2 3.46Å; A359-N362 WeakPolarHBondContact O-CB 3.31Å; A359-N362 PolarHBondContact O-N 2.91Å; L360-N362 VanDerWaalsContact C-N 3.27Å; L360-N362 PolarHBondContact O-N 2.84Å; N362-E364 VanDerWaalsContact C-N 3.32Å; N362-G365 PolarHBondContact O-N 3.07Å; N362-F375 PolarHBondContact ND2-O 2.87Å; N362-F375 PolarHBondContact OD1-O 3.37Å; N362-H376 WeakPolarHBondContact OD1-CA 3.35Å; N362-I377 PolarHBondContact OD1-N 3.21Å; N362-V380 HydrophobicContact CB-CB 4.46Å; N362-V380 HydrophobicContact CB-CG1 4.15Å
363M86.3Confident85Confident35 Ų3547.2 Ų47.217%0.17225%0.25CC..Hα-helixtrans-68.5-29.9176.5-69.6-168.8-72.500113.3A359 L360 G365 V380 A384 P402 L405A359-M363 PolarHBondContact O-N 3.26Å; A359-M363 VanDerWaalsContact O-N 3.16Å; L360-M363 HydrophobicContact CB-CE 4.5Å; L360-M363 HydrophobicContact CD2-CE 3.3Å; L360-M363 HydrophobicContact CG-CE 4.18Å; L360-M363 WeakPolarHBondContact O-CB 3.48Å; L360-M363 PolarHBondContact O-N 2.72Å; M363-G365 PolarHBondContact O-N 3.08Å; M363-V380 HydrophobicContact CB-CG1 4.24Å; M363-V380 HydrophobicContact CG-CG1 3.05Å; M363-V380 HydrophobicContact SD-CG1 4.02Å; M363-A384 WeakPolarHBondContact O-CB 3.37Å; M363-P402 HydrophobicContact CB-CB 4.18Å; M363-L405 HydrophobicContact CE-CD2 3.84Å; M363-L405 HydrophobicContact SD-CD2 4.37Å
364E83.6Confident84.5Confident34 Ų3458.4 Ų58.416%0.15929%0.292CS..THydrogen-bonded Turntrans-77.2-6.7175.5-73170-176.300112.7L360 N362 F366 P392 P402 G403 H406L360-E364 PolarHBondContact O-N 2.82Å; N362-E364 VanDerWaalsContact C-N 3.32Å; E364-F366 VanDerWaalsContact C-N 3.28Å; E364-F366 HydrophobicContact CB-CD2 3.55Å; E364-F366 HydrophobicContact CB-CE2 3.84Å; E364-F366 HydrophobicContact CG-CD2 4.48Å; E364-F366 HydrophobicContact CG-CE2 4.47Å; E364-F366 PolarHBondContact O-N 3.05Å; E364-F366 VanDerWaalsContact OE2-CD2 3.24Å; E364-F366 WeakPolarHBondContact OE2-CD2 3.34Å; E364-F366 WeakPolarHBondContact OE2-CE2 3.38Å; E364-P392 WeakPolarHBondContact O-CG 3.41Å; E364-P402 HydrophobicContact CB-CB 4.45Å; E364-P402 HydrophobicContact CG-CB 3.6Å; E364-G403 WeakPolarHBondContact OE1-CA 3.26Å; E364-H406 VanDerWaalsContact OE1-CB 3.28Å; E364-H406 WeakPolarHBondContact OE1-CB 3.33Å; E364-H406 IonicContact OE1-CG 3.13Å; E364-H406 IonicContact OE1-ND1 3.99Å; E364-H406 PolarHBondContact OE1-ND1 3.01Å; E364-H406 IonicContact OE2-ND1 2.74Å
365G80.3Confident84.2Confident24 Ų2457.7 Ų57.725%0.24729%0.286CS..THydrogen-bonded Turntrans76.110.4-178.500000114.4L361 N362 M363 I367L361-G365 PolarHBondContact O-N 3.28Å; N362-G365 PolarHBondContact O-N 3.07Å; M363-G365 PolarHBondContact O-N 3.08Å; G365-I367 VanDerWaalsContact C-N 3.3Å
366F79.4Confident83.9Confident99 Ų9955.5 Ų55.543%0.43428%0.278SS..  trans-68.8-31.7173.8-74-65.3000112.2L361 E364L361-F366 HydrophobicContact CD2-CD2 3.86Å; L361-F366 HydrophobicContact CD2-CG 4.48Å; L361-F366 PolarHBondContact O-N 2.84Å; L361-F366 VanDerWaalsContact O-N 3.14Å; E364-F366 VanDerWaalsContact C-N 3.28Å; E364-F366 HydrophobicContact CB-CD2 3.55Å; E364-F366 HydrophobicContact CB-CE2 3.84Å; E364-F366 HydrophobicContact CG-CD2 4.48Å; E364-F366 HydrophobicContact CG-CE2 4.47Å; E364-F366 PolarHBondContact O-N 3.05Å; E364-F366 VanDerWaalsContact OE2-CD2 3.24Å; E364-F366 WeakPolarHBondContact OE2-CD2 3.34Å; E364-F366 WeakPolarHBondContact OE2-CE2 3.38Å
367I81.1Confident83.7Confident3 Ų357 Ų572%0.01528%0.284CS..  trans-102.192.7-175.4-51.1-163.3000110.2I358 L361 G365 S372 F375 H376 Y459I358-I367 HydrophobicContact CG2-CD1 4.11Å; L361-I367 HydrophobicContact CB-CD1 3.67Å; L361-I367 HydrophobicContact CB-CG1 3.84Å; L361-I367 HydrophobicContact CD1-CD1 4.46Å; G365-I367 VanDerWaalsContact C-N 3.3Å; I367-S372 WeakPolarHBondContact CG2-OG 3.48Å; I367-F375 HydrophobicContact CD1-CB 4.24Å; I367-F375 HydrophobicContact CG2-CB 4.01Å; I367-H376 HydrophobicContact CG2-CB 4.42Å; I367-Y459 HydrophobicContact CD1-CD2 4.49Å; I367-Y459 HydrophobicContact CD1-CE1 4.06Å; I367-Y459 HydrophobicContact CD1-CE2 3.88Å; I367-Y459 HydrophobicContact CG1-CE1 3.84Å; I367-Y459 HydrophobicContact CG1-CE2 4.33Å; I367-Y459 WeakPolarHBondContact CG1-OH 3.44Å
368V79.6Confident83.3Confident61 Ų6158.4 Ų58.437%0.3730%0.301SS..  trans-94.4141.5175.9-173.80000110E370 K371 S372V368-E370 HydrophobicContact CG1-CB 4.26Å; V368-E370 HydrophobicContact CG1-CG 4.29Å; V368-E370 PolarHBondContact O-N 3.25Å; V368-E370 VanDerWaalsContact O-N 3.14Å; V368-K371 PolarHBondContact O-N 3.07Å; V368-S372 PolarHBondContact O-N 2.83Å
369A79.9Confident83.1Confident46 Ų4663.2 Ų63.238%0.3833%0.327SS..THydrogen-bonded Turntrans-52.7-36179.600000113.2H376A369-H376 HydrophobicContact CB-CB 4.49Å; A369-H376 PolarHBondContact N-ND1 3.37Å
370E77.9Confident82.9Confident180 Ų18063.7 Ų63.784%0.84133%0.328SS*.THydrogen-bonded Turntrans-64.4-40.1178.7-61.3-178.8174.200113.1V368V368-E370 HydrophobicContact CG1-CB 4.26Å; V368-E370 HydrophobicContact CG1-CG 4.29Å; V368-E370 PolarHBondContact O-N 3.25Å; V368-E370 VanDerWaalsContact O-N 3.14Å
371K77.1Confident82.6Confident139 Ų13963.6 Ų63.660%0.60433%0.328SS*.THydrogen-bonded Turntrans-85.6-38.6-175.5-66.5-174.2-179.2178.80112.3V368 L464V368-K371 PolarHBondContact O-N 3.07Å; K371-L464 HydrophobicContact CB-CD2 3.78Å; K371-L464 HydrophobicContact CD-CD2 4.06Å
372S80.4Confident82.5Confident5 Ų567.4 Ų67.44%0.03535%0.345CS..  trans-146.787.7-176.262.40000111.9I367 V368 W374 F375 H376 Y459I367-S372 WeakPolarHBondContact CG2-OG 3.48Å; V368-S372 PolarHBondContact O-N 2.83Å; S372-W374 VanDerWaalsContact C-N 3.28Å; S372-W374 PolarHBondContact O-N 3.49Å; S372-F375 PolarHBondContact O-N 3.27Å; S372-H376 PolarHBondContact O-N 2.9Å; S372-Y459 PolarHBondContact OG-OH 3.48Å
373P81.7Confident82.4Confident90 Ų9071.2 Ų71.258%0.58436%0.362SS*.THydrogen-bonded Turntrans-66.2-28.5-177.125.2-34.4000113.1
374W83Confident82.3Confident235 Ų23570.1 Ų70.189%0.8936%0.359SS*.THydrogen-bonded Turntrans-73.4-25.9-177.4-61.9-24.6000114.6S372S372-W374 VanDerWaalsContact C-N 3.28Å; S372-W374 PolarHBondContact O-N 3.49Å
375F84.3Confident82.2Confident65 Ų6573.5 Ų73.529%0.28537%0.374SS..THydrogen-bonded Turntrans-104.6-4.4-178.5-63.4-71.7000112.6I358 N362 I367 S372 I377 Y459 I463I358-F375 HydrophobicContact CD1-CD1 3.81Å; I358-F375 HydrophobicContact CD1-CE1 4.01Å; I358-F375 HydrophobicContact CG1-CD1 4.34Å; I358-F375 HydrophobicContact CG2-CB 4.19Å; I358-F375 HydrophobicContact CG2-CD1 4.26Å; N362-F375 PolarHBondContact ND2-O 2.87Å; N362-F375 PolarHBondContact OD1-O 3.37Å; I367-F375 HydrophobicContact CD1-CB 4.24Å; I367-F375 HydrophobicContact CG2-CB 4.01Å; S372-F375 PolarHBondContact O-N 3.27Å; F375-I377 PolarHBondContact O-N 2.8Å; F375-Y459 HydrophobicContact CB-CE2 4.2Å; F375-Y459 AromaticContact CD2-CE2 3.97Å; F375-Y459 HydrophobicContact CD2-CE2 3.97Å; F375-Y459 HydrophobicContact CG-CE2 4.16Å; F375-I463 HydrophobicContact CD2-CD1 3.85Å; F375-I463 HydrophobicContact CD2-CG2 4.42Å; F375-I463 HydrophobicContact CE2-CD1 3.26Å; F375-I463 HydrophobicContact CE2-CG1 4.11Å; F375-I463 HydrophobicContact CE2-CG2 4.48Å; F375-I463 HydrophobicContact CZ-CD1 3.74Å
376H85.4Confident82.1Confident59 Ų5977.5 Ų77.527%0.27340%0.396SS..  trans-75.7119.4-179.7-179.975.5000111N362 I367 A369 S372 S381N362-H376 WeakPolarHBondContact OD1-CA 3.35Å; I367-H376 HydrophobicContact CG2-CB 4.42Å; A369-H376 HydrophobicContact CB-CB 4.49Å; A369-H376 PolarHBondContact N-ND1 3.37Å; S372-H376 PolarHBondContact O-N 2.9Å; H376-S381 WeakPolarHBondContact CE1-CB 3.2Å; H376-S381 PolarHBondContact CE1-OG 3.37Å; H376-S381 PolarHBondContact NE2-OG 2.87Å
377I86.4Confident82.1Confident46 Ų4680.5 Ų80.524%0.23642%0.417CS..  trans-108.695.9177.4-56.9173.2000108F355 I358 A359 N362 F375 L379 V380 S381F355-I377 HydrophobicContact CE2-CD1 4.2Å; I358-I377 HydrophobicContact CG2-CD1 4.41Å; A359-I377 HydrophobicContact CB-CD1 4.33Å; N362-I377 PolarHBondContact OD1-N 3.21Å; F375-I377 PolarHBondContact O-N 2.8Å; I377-L379 HydrophobicContact CG2-CB 4.39Å; I377-L379 PolarHBondContact O-N 2.73Å; I377-L379 VanDerWaalsContact O-N 3.09Å; I377-V380 HydrophobicContact CB-CB 4.4Å; I377-V380 HydrophobicContact CB-CG2 4.49Å; I377-V380 HydrophobicContact CG2-CB 4.2Å; I377-V380 HydrophobicContact CG2-CG2 3.84Å; I377-V380 PolarHBondContact O-N 3.5Å; I377-S381 PolarHBondContact O-N 3.27Å; I377-S381 PolarHBondContact O-OG 3.32Å
378G80.4Confident82.2Confident40 Ų4081.7 Ų81.741%0.41243%0.427SS..Hα-helixtrans-51.6-36.6-175.500000114.9V380 S381 Q382G378-V380 PolarHBondContact O-N 2.92Å; G378-S381 VanDerWaalsContact CA-OG 3.32Å; G378-S381 WeakPolarHBondContact CA-OG 3.33Å; G378-S381 PolarHBondContact O-OG 2.93Å; G378-Q382 PolarHBondContact O-N 2.92Å
379L84.2Confident82.4Confident131 Ų13183.4 Ų83.469%0.68643%0.433SS*.Hα-helixtrans-60.1-29.6178-176.168.3000113.1I377 Q382I377-L379 HydrophobicContact CG2-CB 4.39Å; I377-L379 PolarHBondContact O-N 2.73Å; I377-L379 VanDerWaalsContact O-N 3.09Å; L379-Q382 WeakPolarHBondContact O-CG 3.44Å; L379-Q382 PolarHBondContact O-NE2 3Å
380V85.5Confident82.6Confident27 Ų2783.2 Ų83.216%0.16442%0.424CS..Hα-helixtrans-104.5-40.1-171.9-179.80000110.4A359 N362 M363 I377 G378 Q382 F383A359-V380 WeakPolarHBondContact O-CG1 3.13Å; N362-V380 HydrophobicContact CB-CB 4.46Å; N362-V380 HydrophobicContact CB-CG1 4.15Å; M363-V380 HydrophobicContact CB-CG1 4.24Å; M363-V380 HydrophobicContact CG-CG1 3.05Å; M363-V380 HydrophobicContact SD-CG1 4.02Å; I377-V380 HydrophobicContact CB-CB 4.4Å; I377-V380 HydrophobicContact CB-CG2 4.49Å; I377-V380 HydrophobicContact CG2-CB 4.2Å; I377-V380 HydrophobicContact CG2-CG2 3.84Å; I377-V380 PolarHBondContact O-N 3.5Å; G378-V380 PolarHBondContact O-N 2.92Å; V380-Q382 VanDerWaalsContact C-N 3.27Å; V380-Q382 PolarHBondContact O-N 2.95Å; V380-F383 WeakPolarHBondContact O-CD2 3.42Å; V380-F383 PolarHBondContact O-N 2.96Å
381S84.2Confident82.7Confident7 Ų775.6 Ų75.65%0.04939%0.389CS..Hα-helixtrans-65.3-26.8179.463.70000113.7H376 I377 G378 F383 A384 E385H376-S381 WeakPolarHBondContact CE1-CB 3.2Å; H376-S381 PolarHBondContact CE1-OG 3.37Å; H376-S381 PolarHBondContact NE2-OG 2.87Å; I377-S381 PolarHBondContact O-N 3.27Å; I377-S381 PolarHBondContact O-OG 3.32Å; G378-S381 VanDerWaalsContact CA-OG 3.32Å; G378-S381 WeakPolarHBondContact CA-OG 3.33Å; G378-S381 PolarHBondContact O-OG 2.93Å; S381-F383 PolarHBondContact O-N 3.1Å; S381-A384 PolarHBondContact O-N 3.43Å; S381-E385 PolarHBondContact O-N 3.22Å
382Q84.3Confident82.7Confident89 Ų8972 Ų7242%0.41638%0.38SS..THydrogen-bonded Turntrans-54.6-25.4177.466178.9-23.200113.1G378 L379 V380 A384 A388G378-Q382 PolarHBondContact O-N 2.92Å; L379-Q382 WeakPolarHBondContact O-CG 3.44Å; L379-Q382 PolarHBondContact O-NE2 3Å; V380-Q382 VanDerWaalsContact C-N 3.27Å; V380-Q382 PolarHBondContact O-N 2.95Å; Q382-A384 VanDerWaalsContact C-N 3.34Å; Q382-A388 WeakPolarHBondContact O-CB 3.28Å
383F84.9Confident82.8Confident81 Ų8178.5 Ų78.536%0.35541%0.414SS..THydrogen-bonded Turntrans-80.7-16.2178.3-62.5-68000113.4V380 S381 A388 I389 F390V380-F383 WeakPolarHBondContact O-CD2 3.42Å; V380-F383 PolarHBondContact O-N 2.96Å; S381-F383 PolarHBondContact O-N 3.1Å; F383-A388 VanDerWaalsContact O-CB 3.25Å; F383-A388 WeakPolarHBondContact O-CB 3.49Å; F383-I389 HydrophobicContact CD1-CD1 4.25Å; F383-F390 HydrophobicContact CB-CD2 3.65Å; F383-F390 HydrophobicContact CB-CE2 4.15Å; F383-F390 CarbonylContact O-C 3.58Å; F383-F390 VanDerWaalsContact O-CA 3.32Å; F383-F390 WeakPolarHBondContact O-CA 3.34Å; F383-F390 VanDerWaalsContact O-CB 3.28Å; F383-F390 WeakPolarHBondContact O-CB 3.4Å; F383-F390 PolarHBondContact O-N 2.97Å
384A84.3Confident82.8Confident12 Ų1276.4 Ų76.410%0.09940%0.404CS..SBendtrans-106.81.2-179.700000113.1M363 S381 Q382M363-A384 WeakPolarHBondContact O-CB 3.37Å; S381-A384 PolarHBondContact O-N 3.43Å; Q382-A384 VanDerWaalsContact C-N 3.34Å
385E82.5Confident82.5Confident104 Ų10473.9 Ų73.949%0.48641%0.408SS..SBendtrans-62.1158.2175-77.3179-167.500111.5S381 D387 A388S381-E385 PolarHBondContact O-N 3.22Å; E385-D387 PolarHBondContact O-N 2.76Å; E385-A388 HydrophobicContact CB-CB 4.24Å; E385-A388 WeakPolarHBondContact O-CB 3.25Å; E385-A388 PolarHBondContact O-N 3.37Å
386P78.7Confident82.4Confident108 Ų10872.2 Ų72.270%0.70141%0.409SS*.THydrogen-bonded Turntrans-54.2134.4174.9-21.832.7000110.6A388P386-A388 PolarHBondContact O-N 3.22Å
387D78.8Confident82.4Confident162 Ų16276.4 Ų76.487%0.86643%0.432SS*.THydrogen-bonded Turntrans66.15.3-173.1-57.6-45.6000116.2E385 D391E385-D387 PolarHBondContact O-N 2.76Å; D387-D391 PolarHBondContact N-OD2 3.26Å; D387-D391 VanDerWaalsContact N-OD2 3.14Å
388A82.9Confident82.4Confident29 Ų2978.4 Ų78.424%0.2444%0.443CS..SBendtrans-78.1176.6172.300000112.3Q382 F383 E385 P386 F390 D391Q382-A388 WeakPolarHBondContact O-CB 3.28Å; F383-A388 VanDerWaalsContact O-CB 3.25Å; F383-A388 WeakPolarHBondContact O-CB 3.49Å; E385-A388 HydrophobicContact CB-CB 4.24Å; E385-A388 WeakPolarHBondContact O-CB 3.25Å; E385-A388 PolarHBondContact O-N 3.37Å; P386-A388 PolarHBondContact O-N 3.22Å; A388-F390 VanDerWaalsContact C-N 3.28Å; A388-F390 PolarHBondContact O-N 3.37Å; A388-D391 PolarHBondContact O-N 3.15Å
389I83.8Confident82.4Confident97 Ų9777.7 Ų77.750%0.49743%0.432SS..THydrogen-bonded Turntrans-62.1-36.5-174.3-54.7174000111.6F383 L398F383-I389 HydrophobicContact CD1-CD1 4.25Å; I389-L398 HydrophobicContact CG2-CD1 4.24Å; I389-L398 VanDerWaalsContact O-CB 3.25Å; I389-L398 WeakPolarHBondContact O-CB 3.48Å
390F84Confident82.4Confident42 Ų4280 Ų8018%0.18443%0.433CS..THydrogen-bonded Turntrans-113.533.2-177.9-52.9-44.6000112.6F383 A388 P392 L398 I401 P402F383-F390 HydrophobicContact CB-CD2 3.65Å; F383-F390 HydrophobicContact CB-CE2 4.15Å; F383-F390 CarbonylContact O-C 3.58Å; F383-F390 VanDerWaalsContact O-CA 3.32Å; F383-F390 WeakPolarHBondContact O-CA 3.34Å; F383-F390 VanDerWaalsContact O-CB 3.28Å; F383-F390 WeakPolarHBondContact O-CB 3.4Å; F383-F390 PolarHBondContact O-N 2.97Å; A388-F390 VanDerWaalsContact C-N 3.28Å; A388-F390 PolarHBondContact O-N 3.37Å; F390-P392 VanDerWaalsContact O-CD 3.26Å; F390-P392 WeakPolarHBondContact O-CD 3.41Å; F390-P392 VanDerWaalsContact O-N 3.15Å; F390-L398 WeakPolarHBondContact CD1-O 3.06Å; F390-I401 HydrophobicContact CE1-CB 4.17Å; F390-I401 HydrophobicContact CE1-CD1 4.36Å; F390-I401 HydrophobicContact CE1-CG2 4.13Å; F390-I401 HydrophobicContact CZ-CG2 4.46Å; F390-P402 HydrophobicContact CB-CG 3.75Å; F390-P402 HydrophobicContact CD1-CG 4.18Å; F390-P402 HydrophobicContact CD2-CG 4.08Å; F390-P402 HydrophobicContact CG-CG 3.77Å
391D80.2Confident82.5Confident19 Ų1982 Ų8210%0.10244%0.442CS..  trans-54.8119.7174.6-178.2-8.3000110.5D387 A388 N393 A394 S399D387-D391 PolarHBondContact N-OD2 3.26Å; D387-D391 VanDerWaalsContact N-OD2 3.14Å; A388-D391 PolarHBondContact O-N 3.15Å; D391-N393 PolarHBondContact O-N 2.83Å; D391-N393 PolarHBondContact OD1-N 3.18Å; D391-A394 HydrophobicContact CB-CB 3.96Å; D391-A394 PolarHBondContact O-N 3.31Å; D391-S399 VanDerWaalsContact O-CB 3.32Å; D391-S399 WeakPolarHBondContact O-CB 3.45Å; D391-S399 PolarHBondContact O-OG 3.48Å
392P78Confident82.6Confident64 Ų6481.9 Ų81.942%0.41644%0.441SS..THydrogen-bonded Turntrans-61.3-24.9178.7-23.934.9000114.2E364 F390E364-P392 WeakPolarHBondContact O-CG 3.41Å; F390-P392 VanDerWaalsContact O-CD 3.26Å; F390-P392 WeakPolarHBondContact O-CD 3.41Å; F390-P392 VanDerWaalsContact O-N 3.15Å
393N81.5Confident82.6Confident141 Ų14179.1 Ų79.175%0.75444%0.436SS*.THydrogen-bonded Turntrans-92.8-7.4-178.2-64.6-42.1000113.3D391D391-N393 PolarHBondContact O-N 2.83Å; D391-N393 PolarHBondContact OD1-N 3.18Å
394A81.2Confident82.7Confident46 Ų4680 Ų8038%0.3845%0.448SS..SBendtrans-71.7140176.400000111.1D391 G396 S399D391-A394 HydrophobicContact CB-CB 3.96Å; D391-A394 PolarHBondContact O-N 3.31Å; A394-G396 PolarHBondContact O-N 3.42Å; A394-S399 PolarHBondContact O-OG 3.36Å
395N78.4Confident82.9Confident182 Ų18282.9 Ų82.997%0.97346%0.461SS*.SBendtrans-78.236-179.6-70.1-22.9000113.5
396G80.9Confident83.1Confident30 Ų3079.7 Ų79.731%0.30945%0.446SS..SBendtrans-114.2160.5-171.200000114.5A394 L398 S399A394-G396 PolarHBondContact O-N 3.42Å; G396-L398 PolarHBondContact O-N 2.95Å; G396-S399 PolarHBondContact O-N 3.23Å
397I85.3Confident83.4Confident147 Ų14778.5 Ų78.575%0.75444%0.44SS*.G310 helixtrans-62.9-27.4171.7-62.2171.2000111S399 Y400I397-S399 VanDerWaalsContact C-N 3.29Å; I397-S399 PolarHBondContact O-N 3.45Å; I397-Y400 PolarHBondContact O-N 3.12Å
398L86Confident83.9Confident89 Ų8975.5 Ų75.547%0.46642%0.424SS..G310 helixtrans-61-33.7-177.8-66170.9000113I389 F390 G396 Y400 I401 P402I389-L398 HydrophobicContact CG2-CD1 4.24Å; I389-L398 VanDerWaalsContact O-CB 3.25Å; I389-L398 WeakPolarHBondContact O-CB 3.48Å; F390-L398 WeakPolarHBondContact CD1-O 3.06Å; G396-L398 PolarHBondContact O-N 2.95Å; L398-Y400 PolarHBondContact O-N 3.05Å; L398-I401 HydrophobicContact CD2-CD1 3.62Å; L398-I401 WeakPolarHBondContact O-CB 3.34Å; L398-I401 PolarHBondContact O-N 2.88Å; L398-I401 VanDerWaalsContact O-N 3.1Å; L398-P402 WeakPolarHBondContact O-CD 3.49Å
399S81.5Confident84.1Confident25 Ų2577.6 Ų77.618%0.17543%0.43CS..G310 helixtrans-66-22.2179.8-47.20000113.4D391 A394 G396 I397D391-S399 VanDerWaalsContact O-CB 3.32Å; D391-S399 WeakPolarHBondContact O-CB 3.45Å; D391-S399 PolarHBondContact O-OG 3.48Å; A394-S399 PolarHBondContact O-OG 3.36Å; G396-S399 PolarHBondContact O-N 3.23Å; I397-S399 VanDerWaalsContact C-N 3.29Å; I397-S399 PolarHBondContact O-N 3.45Å
400Y84.9Confident84.3Confident178 Ų17874.4 Ų74.470%0.69842%0.415SS*.G310 helixtrans-86.1-14.5176.1-62-73.5000113.5I397 L398 G403 V404I397-Y400 PolarHBondContact O-N 3.12Å; L398-Y400 PolarHBondContact O-N 3.05Å; Y400-G403 PolarHBondContact O-N 3.33Å; Y400-V404 WeakPolarHBondContact O-CG2 3.5Å; Y400-V404 PolarHBondContact O-N 3.43Å
401I87Confident84.4Confident70 Ų7077.1 Ų77.136%0.35943%0.426SS..Hα-helixtrans-60.8-47-176.2-66.2178.7000112.1F390 L398 G403 V404 L405F390-I401 HydrophobicContact CE1-CB 4.17Å; F390-I401 HydrophobicContact CE1-CD1 4.36Å; F390-I401 HydrophobicContact CE1-CG2 4.13Å; F390-I401 HydrophobicContact CZ-CG2 4.46Å; L398-I401 HydrophobicContact CD2-CD1 3.62Å; L398-I401 WeakPolarHBondContact O-CB 3.34Å; L398-I401 PolarHBondContact O-N 2.88Å; L398-I401 VanDerWaalsContact O-N 3.1Å; I401-G403 VanDerWaalsContact C-N 3.33Å; I401-G403 PolarHBondContact O-N 3.38Å; I401-V404 PolarHBondContact O-N 3.01Å; I401-L405 WeakPolarHBondContact O-CB 3.43Å; I401-L405 PolarHBondContact O-N 3.3Å
402P86.3Confident84.8Confident5 Ų578.5 Ų78.53%0.03244%0.435CS..Hα-helixtrans-56-43.8178.4-27.936.3000113.3M363 E364 F390 L398 V404 L405 H406M363-P402 HydrophobicContact CB-CB 4.18Å; E364-P402 HydrophobicContact CB-CB 4.45Å; E364-P402 HydrophobicContact CG-CB 3.6Å; F390-P402 HydrophobicContact CB-CG 3.75Å; F390-P402 HydrophobicContact CD1-CG 4.18Å; F390-P402 HydrophobicContact CD2-CG 4.08Å; F390-P402 HydrophobicContact CG-CG 3.77Å; L398-P402 WeakPolarHBondContact O-CD 3.49Å; P402-V404 PolarHBondContact O-N 3.25Å; P402-L405 WeakPolarHBondContact O-CB 3.19Å; P402-L405 PolarHBondContact O-N 3.04Å; P402-H406 WeakPolarHBondContact O-CB 3.18Å; P402-H406 PolarHBondContact O-N 3.28Å
403G84.8Confident85.3Confident30 Ų3076.1 Ų76.131%0.30942%0.419SS..Hα-helixtrans-66.1-35.8178.500000113.8E364 Y400 I401 S407E364-G403 WeakPolarHBondContact OE1-CA 3.26Å; Y400-G403 PolarHBondContact O-N 3.33Å; I401-G403 VanDerWaalsContact C-N 3.33Å; I401-G403 PolarHBondContact O-N 3.38Å; G403-S407 PolarHBondContact O-N 3.33Å; G403-S407 VanDerWaalsContact O-N 3.1Å; G403-S407 PolarHBondContact O-OG 3.01Å
404V86.3Confident85.6Confident99 Ų9969.9 Ų69.960%0.639%0.386SS*.Hα-helixtrans-68-43.4172.3174.60000110.7Y400 I401 P402 H406 S407 L408Y400-V404 WeakPolarHBondContact O-CG2 3.5Å; Y400-V404 PolarHBondContact O-N 3.43Å; I401-V404 PolarHBondContact O-N 3.01Å; P402-V404 PolarHBondContact O-N 3.25Å; V404-H406 VanDerWaalsContact C-N 3.32Å; V404-H406 PolarHBondContact O-N 3.39Å; V404-S407 PolarHBondContact O-N 3.25Å; V404-L408 WeakPolarHBondContact O-CB 3.42Å; V404-L408 PolarHBondContact O-N 3.41Å
405L87.5Confident85.7Confident74 Ų7471.1 Ų71.139%0.38738%0.384SS..Hα-helixtrans-62.2-41.2177.6-179.962.5000111.3L360 M363 I401 P402 L408 M409L360-L405 HydrophobicContact CD2-CD2 4.44Å; L360-L405 HydrophobicContact CD2-CG 4.22Å; M363-L405 HydrophobicContact CE-CD2 3.84Å; M363-L405 HydrophobicContact SD-CD2 4.37Å; I401-L405 WeakPolarHBondContact O-CB 3.43Å; I401-L405 PolarHBondContact O-N 3.3Å; P402-L405 WeakPolarHBondContact O-CB 3.19Å; P402-L405 PolarHBondContact O-N 3.04Å; L405-L408 PolarHBondContact O-N 3.21Å; L405-M409 VanDerWaalsContact O-CB 3.29Å; L405-M409 WeakPolarHBondContact O-CB 3.46Å; L405-M409 PolarHBondContact O-N 2.84Å
406H88.4Confident86.1Confident37 Ų3768.1 Ų68.117%0.17137%0.365CS..Hα-helixtrans-58.3-54.1174.7-171.2159.7000110.7L360 E364 P402 V404 L408 M409 V410L360-H406 HydrophobicContact CB-CB 4.26Å; L360-H406 HydrophobicContact CD1-CB 4.2Å; L360-H406 HydrophobicContact CD2-CB 4.27Å; L360-H406 HydrophobicContact CG-CB 4.47Å; E364-H406 VanDerWaalsContact OE1-CB 3.28Å; E364-H406 WeakPolarHBondContact OE1-CB 3.33Å; E364-H406 IonicContact OE1-CG 3.13Å; E364-H406 IonicContact OE1-ND1 3.99Å; E364-H406 PolarHBondContact OE1-ND1 3.01Å; E364-H406 IonicContact OE2-ND1 2.74Å; P402-H406 WeakPolarHBondContact O-CB 3.18Å; P402-H406 PolarHBondContact O-N 3.28Å; V404-H406 VanDerWaalsContact C-N 3.32Å; V404-H406 PolarHBondContact O-N 3.39Å; H406-L408 VanDerWaalsContact C-N 3.3Å; H406-L408 PolarHBondContact O-N 2.9Å; H406-M409 PolarHBondContact O-N 3.01Å; H406-M409 VanDerWaalsContact O-N 3.14Å; H406-V410 WeakPolarHBondContact O-CG2 3.43Å; H406-V410 PolarHBondContact O-N 2.93Å
407S85Confident86.6Confident82 Ų8270.7 Ų70.757%0.57337%0.371SS*.Hα-helixtrans-58.1-41.8178.8-58.40000112.3G403 V404 F411G403-S407 PolarHBondContact O-N 3.33Å; G403-S407 VanDerWaalsContact O-N 3.1Å; G403-S407 PolarHBondContact O-OG 3.01Å; V404-S407 PolarHBondContact O-N 3.25Å; S407-F411 WeakPolarHBondContact O-CB 3.37Å; S407-F411 PolarHBondContact O-N 3.1Å; S407-F411 VanDerWaalsContact O-N 3.13Å
408L87.9Confident86.9Confident99 Ų9964 Ų6452%0.51834%0.337SS..Hα-helixtrans-66.2-42.7177.1-179.165.7000111.8V404 L405 H406 F411 V412V404-L408 WeakPolarHBondContact O-CB 3.42Å; V404-L408 PolarHBondContact O-N 3.41Å; L405-L408 PolarHBondContact O-N 3.21Å; H406-L408 VanDerWaalsContact C-N 3.3Å; H406-L408 PolarHBondContact O-N 2.9Å; L408-F411 WeakPolarHBondContact O-CB 3.48Å; L408-F411 PolarHBondContact O-N 3.05Å; L408-V412 HydrophobicContact CD1-CG2 4.49Å; L408-V412 WeakPolarHBondContact O-CG2 3.37Å; L408-V412 PolarHBondContact O-N 2.78Å
409M88.4Confident87.1Confident74 Ų7463.1 Ų63.137%0.36533%0.327SS..Hα-helixtrans-71-40.3-176.1-164.957.3176.500111.9V356 L360 L405 H406 F411 V412 M413V356-M409 HydrophobicContact CG1-CG 4Å; L360-M409 HydrophobicContact CD1-CB 4.26Å; L405-M409 VanDerWaalsContact O-CB 3.29Å; L405-M409 WeakPolarHBondContact O-CB 3.46Å; L405-M409 PolarHBondContact O-N 2.84Å; H406-M409 PolarHBondContact O-N 3.01Å; H406-M409 VanDerWaalsContact O-N 3.14Å; M409-F411 VanDerWaalsContact C-N 3.33Å; M409-F411 PolarHBondContact O-N 3.45Å; M409-V412 PolarHBondContact O-N 3.25Å; M409-M413 VanDerWaalsContact O-CB 3.26Å; M409-M413 WeakPolarHBondContact O-CB 3.32Å; M409-M413 PolarHBondContact O-N 3.43Å
410V87Confident87.6Confident30 Ų3066 Ų6618%0.18234%0.343CS..Hα-helixtrans-59.3-45.9171.2169.50000110.3H406 V412 M413 N414 D452H406-V410 WeakPolarHBondContact O-CG2 3.43Å; H406-V410 PolarHBondContact O-N 2.93Å; V410-V412 PolarHBondContact O-N 2.96Å; V410-M413 PolarHBondContact O-N 3.07Å; V410-N414 PolarHBondContact O-N 2.98Å; V410-D452 HydrophobicContact CG1-CB 3.97Å
411F85.6Confident88.1Confident98 Ų9860.2 Ų60.243%0.4332%0.324SS..Hα-helixtrans-58.9-47.3176.2174-98.7000112.7S407 L408 M409 Q415S407-F411 WeakPolarHBondContact O-CB 3.37Å; S407-F411 PolarHBondContact O-N 3.1Å; S407-F411 VanDerWaalsContact O-N 3.13Å; L408-F411 WeakPolarHBondContact O-CB 3.48Å; L408-F411 PolarHBondContact O-N 3.05Å; M409-F411 VanDerWaalsContact C-N 3.33Å; M409-F411 PolarHBondContact O-N 3.45Å; F411-Q415 HydrophobicContact CD2-CB 4.44Å; F411-Q415 HydrophobicContact CE2-CB 4.17Å; F411-Q415 HydrophobicContact CE2-CG 4.33Å; F411-Q415 HydrophobicContact CZ-CB 4.43Å; F411-Q415 HydrophobicContact CZ-CG 4.43Å; F411-Q415 VanDerWaalsContact O-CB 3.32Å; F411-Q415 WeakPolarHBondContact O-CB 3.26Å; F411-Q415 PolarHBondContact O-N 3.32Å
412V88.9Confident88.5Confident48 Ų4856.9 Ų56.929%0.29131%0.307SS..Iπ-helixtrans-63.6-43.8178.2170.50000110.8L408 M409 V410 M416 I417L408-V412 HydrophobicContact CD1-CG2 4.49Å; L408-V412 WeakPolarHBondContact O-CG2 3.37Å; L408-V412 PolarHBondContact O-N 2.78Å; M409-V412 PolarHBondContact O-N 3.25Å; V410-V412 PolarHBondContact O-N 2.96Å; V412-M416 HydrophobicContact CG1-CB 4.43Å; V412-M416 WeakPolarHBondContact O-CA 3.43Å; V412-M416 VanDerWaalsContact O-CB 3.23Å; V412-M416 WeakPolarHBondContact O-CB 3.48Å; V412-M416 PolarHBondContact O-N 3.24Å; V412-I417 HydrophobicContact CG1-CD1 4.11Å; V412-I417 HydrophobicContact CG1-CG1 4.48Å; V412-I417 PolarHBondContact O-N 3.21Å; V412-I417 VanDerWaalsContact O-N 3.17Å
413M89.5Confident88.9Confident14 Ų1459.7 Ų59.77%0.06932%0.319CS..Iπ-helixtrans-62.9-50.7-179.6-174174.169.600111.5A353 M409 V410 I417 F418 D452A353-M413 HydrophobicContact CB-CE 3.46Å; A353-M413 VanDerWaalsContact CB-CE 3.46Å; A353-M413 HydrophobicContact CB-SD 3.6Å; A353-M413 VanDerWaalsContact CB-SD 3.6Å; M409-M413 VanDerWaalsContact O-CB 3.26Å; M409-M413 WeakPolarHBondContact O-CB 3.32Å; M409-M413 PolarHBondContact O-N 3.43Å; V410-M413 PolarHBondContact O-N 3.07Å; M413-I417 PolarHBondContact O-N 3.26Å; M413-F418 VanDerWaalsContact O-CB 3.26Å; M413-F418 WeakPolarHBondContact O-CB 3.41Å; M413-F418 PolarHBondContact O-N 2.91Å; M413-D452 VanDerWaalsContact CE-OD1 3.23Å; M413-D452 WeakPolarHBondContact CE-OD1 3.42Å; M413-D452 WeakPolarHBondContact CE-OD2 3.11Å
414N86.7Confident89.4Confident10 Ų1064.8 Ų64.85%0.05334%0.335CS..Iπ-helixtrans-71.9-51.8-175.9-70.7-9.6000112.1V410 R419 E449 D452V410-N414 PolarHBondContact O-N 2.98Å; N414-R419 PolarHBondContact O-N 3.1Å; N414-R419 VanDerWaalsContact O-N 3.13Å; N414-E449 WeakPolarHBondContact CB-OE1 3.42Å; N414-E449 PolarHBondContact ND2-OE2 3.18Å; N414-D452 PolarHBondContact ND2-OD2 3.26Å; N414-D452 PolarHBondContact OD1-OD2 2.93Å
415Q84.1Confident89.9Confident73 Ų7360.7 Ų60.734%0.34131%0.309SS..Iπ-helixtrans-83.1-38.9-170.2-170.462.95.700113.3F411 R419F411-Q415 HydrophobicContact CD2-CB 4.44Å; F411-Q415 HydrophobicContact CE2-CB 4.17Å; F411-Q415 HydrophobicContact CE2-CG 4.33Å; F411-Q415 HydrophobicContact CZ-CB 4.43Å; F411-Q415 HydrophobicContact CZ-CG 4.43Å; F411-Q415 VanDerWaalsContact O-CB 3.32Å; F411-Q415 WeakPolarHBondContact O-CB 3.26Å; F411-Q415 PolarHBondContact O-N 3.32Å; Q415-R419 WeakPolarHBondContact O-CB 3.04Å
416M86.9Confident90.3Very high119 Ų11957.1 Ų57.159%0.58629%0.291SS*.Iπ-helixtrans-94.8-38.3-171.4-56.7-64.5-6700112.7V412 V420V412-M416 HydrophobicContact CG1-CB 4.43Å; V412-M416 WeakPolarHBondContact O-CA 3.43Å; V412-M416 VanDerWaalsContact O-CB 3.23Å; V412-M416 WeakPolarHBondContact O-CB 3.48Å; V412-M416 PolarHBondContact O-N 3.24Å; M416-V420 WeakPolarHBondContact O-CG2 3.44Å
417I91.1Very high90.6Very high84 Ų8458.4 Ų58.443%0.43130%0.297SS..Iπ-helixtrans-98.9-58.8-173.1-59.5172.8000110.2V412 M413 V420 I421V412-I417 HydrophobicContact CG1-CD1 4.11Å; V412-I417 HydrophobicContact CG1-CG1 4.48Å; V412-I417 PolarHBondContact O-N 3.21Å; V412-I417 VanDerWaalsContact O-N 3.17Å; M413-I417 PolarHBondContact O-N 3.26Å; I417-V420 PolarHBondContact O-N 2.9Å; I417-I421 HydrophobicContact CG2-CD1 3.69Å; I417-I421 WeakPolarHBondContact O-CG1 3.44Å; I417-I421 PolarHBondContact O-N 3.13Å; I417-I421 VanDerWaalsContact O-N 3.08Å
418F90.3Very high91Very high7 Ų759.2 Ų59.23%0.03129%0.287CS..Iπ-helixtrans-70.5-41.3-168.9-175.3-101.7000112.8M413 V420 I421 A422 K444 F448M413-F418 VanDerWaalsContact O-CB 3.26Å; M413-F418 WeakPolarHBondContact O-CB 3.41Å; M413-F418 PolarHBondContact O-N 2.91Å; F418-V420 PolarHBondContact O-N 3.07Å; F418-I421 PolarHBondContact O-N 2.73Å; F418-I421 VanDerWaalsContact O-N 3.13Å; F418-A422 HydrophobicContact CD1-CB 4.39Å; F418-A422 HydrophobicContact CE1-CB 3.74Å; F418-A422 HydrophobicContact CE2-CB 4.46Å; F418-A422 HydrophobicContact CZ-CB 3.78Å; F418-A422 WeakPolarHBondContact O-CB 3.32Å; F418-A422 PolarHBondContact O-N 3.19Å; F418-K444 HydrophobicContact CE1-CB 4.38Å; F418-K444 VanDerWaalsContact CE1-O 3.28Å; F418-K444 WeakPolarHBondContact CE1-O 3.13Å; F418-K444 HydrophobicContact CZ-CB 4.03Å; F418-F448 HydrophobicContact CB-CD1 4.21Å; F418-F448 HydrophobicContact CB-CG 4.44Å; F418-F448 HydrophobicContact CD1-CB 3.71Å; F418-F448 HydrophobicContact CD1-CD1 4.01Å; F418-F448 AromaticContact CD1-CD2 3.57Å; F418-F448 HydrophobicContact CD1-CD2 3.57Å; F418-F448 HydrophobicContact CD1-CE2 4.26Å; F418-F448 AromaticContact CD1-CG 3.43Å; F418-F448 HydrophobicContact CD1-CG 3.43Å; F418-F448 VanDerWaalsContact CD1-CG 3.43Å; F418-F448 AromaticContact CD2-CD1 3.53Å; F418-F448 HydrophobicContact CD2-CD1 3.53Å; F418-F448 AromaticContact CD2-CD2 3.65Å; F418-F448 HydrophobicContact CD2-CD2 3.65Å; F418-F448 AromaticContact CD2-CE1 3.37Å; F418-F448 HydrophobicContact CD2-CE1 3.37Å; F418-F448 AromaticContact CD2-CE2 3.53Å; F418-F448 HydrophobicContact CD2-CE2 3.53Å; F418-F448 AromaticContact CD2-CG 3.66Å; F418-F448 HydrophobicContact CD2-CG 3.66Å; F418-F448 AromaticContact CD2-CZ 3.38Å; F418-F448 HydrophobicContact CD2-CZ 3.38Å; F418-F448 HydrophobicContact CE1-CB 3.97Å; F418-F448 HydrophobicContact CE1-CD1 4.38Å; F418-F448 AromaticContact CE1-CD2 3.12Å; F418-F448 HydrophobicContact CE1-CD2 3.12Å; F418-F448 AromaticContact CE1-CE2 3.71Å; F418-F448 HydrophobicContact CE1-CE2 3.71Å; F418-F448 AromaticContact CE1-CG 3.53Å; F418-F448 HydrophobicContact CE1-CG 3.53Å; F418-F448 AromaticContact CE2-CD1 3.99Å; F418-F448 HydrophobicContact CE2-CD1 3.99Å; F418-F448 AromaticContact CE2-CD2 3.26Å; F418-F448 HydrophobicContact CE2-CD2 3.26Å; F418-F448 AromaticContact CE2-CE1 3.67Å; F418-F448 HydrophobicContact CE2-CE1 3.67Å; F418-F448 AromaticContact CE2-CE2 2.89Å; F418-F448 HydrophobicContact CE2-CE2 2.89Å; F418-F448 AromaticContact CE2-CG 3.8Å; F418-F448 HydrophobicContact CE2-CG 3.8Å; F418-F448 AromaticContact CE2-CZ 3.12Å; F418-F448 HydrophobicContact CE2-CZ 3.12Å; F418-F448 HydrophobicContact CG-CB 4.13Å; F418-F448 AromaticContact CG-CD1 3.57Å; F418-F448 HydrophobicContact CG-CD1 3.57Å; F418-F448 AromaticContact CG-CD2 3.82Å; F418-F448 HydrophobicContact CG-CD2 3.82Å; F418-F448 AromaticContact CG-CE1 3.93Å; F418-F448 HydrophobicContact CG-CE1 3.93Å; F418-F448 HydrophobicContact CG-CE2 4.18Å; F418-F448 AromaticContact CG-CG 3.5Å; F418-F448 HydrophobicContact CG-CG 3.5Å; F418-F448 VanDerWaalsContact CG-CG 3.5Å; F418-F448 HydrophobicContact CG-CZ 4.23Å; F418-F448 HydrophobicContact CZ-CD1 4.38Å; F418-F448 AromaticContact CZ-CD2 2.95Å; F418-F448 HydrophobicContact CZ-CD2 2.95Å; F418-F448 HydrophobicContact CZ-CE1 4.39Å; F418-F448 AromaticContact CZ-CE2 2.99Å; F418-F448 HydrophobicContact CZ-CE2 2.99Å; F418-F448 AromaticContact CZ-CG 3.72Å; F418-F448 HydrophobicContact CZ-CG 3.72Å; F418-F448 AromaticContact CZ-CZ 3.76Å; F418-F448 HydrophobicContact CZ-CZ 3.76Å
419R90.6Very high91.4Very high70 Ų7055 Ų5526%0.26427%0.265SS..Hα-helixtrans-49-49.1172.3179.6-175.4168.5160.58111.7N414 Q415 A422 E423 E536N414-R419 PolarHBondContact O-N 3.1Å; N414-R419 VanDerWaalsContact O-N 3.13Å; Q415-R419 WeakPolarHBondContact O-CB 3.04Å; R419-A422 PolarHBondContact O-N 3.15Å; R419-E423 WeakPolarHBondContact CG-OE1 3.48Å; R419-E423 IonicContact CZ-OE1 3.9Å; R419-E423 IonicContact NE-OE1 2.82Å; R419-E423 PolarHBondContact NE-OE1 3.33Å; R419-E423 IonicContact NH2-OE1 3.19Å; R419-E423 WeakPolarHBondContact O-CG 3.42Å; R419-E423 PolarHBondContact O-N 3.01Å; R419-E536 IonicContact NH2-OE1 3.45Å
420V93.5Very high91.6Very high85 Ų8551.4 Ų51.452%0.51525%0.247SC..Hα-helixtrans-65.5-43.1-179.3178.60000111.3M416 I417 F418 E423 H424M416-V420 WeakPolarHBondContact O-CG2 3.44Å; I417-V420 PolarHBondContact O-N 2.9Å; F418-V420 PolarHBondContact O-N 3.07Å; V420-E423 PolarHBondContact O-N 2.84Å; V420-H424 WeakPolarHBondContact O-CB 3.33Å; V420-H424 PolarHBondContact O-N 3.49Å
421I94.9Very high91.9Very high56 Ų5650.5 Ų50.529%0.28724%0.241SC..Hα-helixtrans-61.9-46.1176.5-66.8171.1000110.5I417 F418 E423 H424 L425I417-I421 HydrophobicContact CG2-CD1 3.69Å; I417-I421 WeakPolarHBondContact O-CG1 3.44Å; I417-I421 PolarHBondContact O-N 3.13Å; I417-I421 VanDerWaalsContact O-N 3.08Å; F418-I421 PolarHBondContact O-N 2.73Å; F418-I421 VanDerWaalsContact O-N 3.13Å; I421-E423 PolarHBondContact O-N 3.13Å; I421-H424 PolarHBondContact O-N 3.26Å; I421-L425 HydrophobicContact CG2-CD1 3.7Å; I421-L425 HydrophobicContact CG2-CG 4.07Å; I421-L425 WeakPolarHBondContact O-CB 3.48Å; I421-L425 VanDerWaalsContact O-CG 3.25Å; I421-L425 WeakPolarHBondContact O-CG 3.22Å; I421-L425 PolarHBondContact O-N 2.86Å
422A95.4Very high92Very high0 Ų047.5 Ų47.50%023%0.232CC..Hα-helixtrans-63.3-43-178.900000112F418 R419 T426 L441 K444 R445F418-A422 HydrophobicContact CD1-CB 4.39Å; F418-A422 HydrophobicContact CE1-CB 3.74Å; F418-A422 HydrophobicContact CE2-CB 4.46Å; F418-A422 HydrophobicContact CZ-CB 3.78Å; F418-A422 WeakPolarHBondContact O-CB 3.32Å; F418-A422 PolarHBondContact O-N 3.19Å; R419-A422 PolarHBondContact O-N 3.15Å; A422-T426 VanDerWaalsContact O-CB 3.26Å; A422-T426 WeakPolarHBondContact O-CB 3.3Å; A422-T426 PolarHBondContact O-N 3.16Å; A422-T426 PolarHBondContact O-OG1 3.26Å; A422-L441 HydrophobicContact CB-CD1 3.79Å; A422-K444 HydrophobicContact CB-CB 4.1Å; A422-K444 HydrophobicContact CB-CD 4.42Å; A422-R445 HydrophobicContact CB-CG 4.35Å
423E94.2Very high91.8Very high64 Ų6445.8 Ų45.830%0.29922%0.221SC..Hα-helixtrans-60.9-46.8174-73.3172-168.600110.7R419 V420 I421 T426 E427 L441R419-E423 WeakPolarHBondContact CG-OE1 3.48Å; R419-E423 IonicContact CZ-OE1 3.9Å; R419-E423 IonicContact NE-OE1 2.82Å; R419-E423 PolarHBondContact NE-OE1 3.33Å; R419-E423 IonicContact NH2-OE1 3.19Å; R419-E423 WeakPolarHBondContact O-CG 3.42Å; R419-E423 PolarHBondContact O-N 3.01Å; V420-E423 PolarHBondContact O-N 2.84Å; I421-E423 PolarHBondContact O-N 3.13Å; E423-T426 PolarHBondContact O-N 3.41Å; E423-E427 WeakPolarHBondContact O-CB 3.28Å; E423-E427 PolarHBondContact O-N 3.38Å; E423-L441 HydrophobicContact CG-CD1 4.07Å; E423-L441 HydrophobicContact CG-CD2 4.38Å
424H95.6Very high91.6Very high138 Ų13847.6 Ų47.664%0.63923%0.231SC*.Hα-helixtrans-66.3-42.6179.9-16674.3000113V420 I421 E427 W428V420-H424 WeakPolarHBondContact O-CB 3.33Å; V420-H424 PolarHBondContact O-N 3.49Å; I421-H424 PolarHBondContact O-N 3.26Å; H424-E427 PolarHBondContact O-N 3.32Å; H424-W428 WeakPolarHBondContact O-CB 3.43Å; H424-W428 PolarHBondContact O-N 3.05Å
425L96.4Very high91.4Very high12 Ų1249.8 Ų49.86%0.06324%0.241CC..Hα-helixtrans-63.2-43.7175.8-74.1177.4000111.2I345 I421 E427 W428 E429 K444I345-L425 HydrophobicContact CB-CD1 4.25Å; I345-L425 HydrophobicContact CB-CD2 4.27Å; I345-L425 HydrophobicContact CD1-CD2 3.72Å; I345-L425 HydrophobicContact CG2-CD1 3.9Å; I345-L425 HydrophobicContact CG2-CD2 4.15Å; I421-L425 HydrophobicContact CG2-CD1 3.7Å; I421-L425 HydrophobicContact CG2-CG 4.07Å; I421-L425 WeakPolarHBondContact O-CB 3.48Å; I421-L425 VanDerWaalsContact O-CG 3.25Å; I421-L425 WeakPolarHBondContact O-CG 3.22Å; I421-L425 PolarHBondContact O-N 2.86Å; L425-E427 VanDerWaalsContact C-N 3.31Å; L425-E427 PolarHBondContact O-N 3.43Å; L425-W428 WeakPolarHBondContact O-CB 3.44Å; L425-W428 PolarHBondContact O-N 2.89Å; L425-E429 VanDerWaalsContact O-CG 3.28Å; L425-E429 WeakPolarHBondContact O-CG 3.18Å; L425-E429 PolarHBondContact O-N 3.3Å; L425-K444 HydrophobicContact CB-CD 4.46Å
426T95.5Very high91.6Very high0 Ų050.2 Ų50.20%025%0.245CC..Hα-helixtrans-70-31.7-179.6-500000111.4A422 E423 E429 Y437 L441 K444A422-T426 VanDerWaalsContact O-CB 3.26Å; A422-T426 WeakPolarHBondContact O-CB 3.3Å; A422-T426 PolarHBondContact O-N 3.16Å; A422-T426 PolarHBondContact O-OG1 3.26Å; E423-T426 PolarHBondContact O-N 3.41Å; T426-E429 WeakPolarHBondContact O-CB 3.42Å; T426-E429 PolarHBondContact O-N 3.2Å; T426-Y437 HydrophobicContact CG2-CD2 3.45Å; T426-Y437 VanDerWaalsContact CG2-CD2 3.45Å; T426-Y437 HydrophobicContact CG2-CE2 3.5Å; T426-Y437 HydrophobicContact CG2-CG 4.06Å; T426-Y437 WeakPolarHBondContact CG2-O 3.4Å; T426-L441 HydrophobicContact CG2-CB 4.28Å; T426-K444 PolarHBondContact OG1-NZ 2.95Å
427E94.7Very high91.8Very high63 Ų6346.5 Ų46.529%0.29423%0.225SC..Hα-helixtrans-65.1-43.8169.5-16957.5-141.100111.3R310 T312 E423 H424 L425 E429 N430R310-E427 IonicContact CZ-OE1 2.84Å; R310-E427 IonicContact CZ-OE2 3.42Å; R310-E427 IonicContact NH1-OE1 3.44Å; R310-E427 PolarHBondContact NH1-OE1 2.95Å; R310-E427 IonicContact NH1-OE2 3.28Å; R310-E427 PolarHBondContact NH1-OE2 3.47Å; R310-E427 IonicContact NH2-OE1 3.67Å; R310-E427 PolarHBondContact NH2-OE1 3.42Å; R310-E427 IonicContact NH2-OE2 2.77Å; R310-E427 PolarHBondContact NH2-OE2 2.83Å; T312-E427 VanDerWaalsContact CB-OE1 3.25Å; T312-E427 WeakPolarHBondContact CB-OE1 3.14Å; T312-E427 PolarHBondContact OG1-OE1 3.48Å; E423-E427 WeakPolarHBondContact O-CB 3.28Å; E423-E427 PolarHBondContact O-N 3.38Å; H424-E427 PolarHBondContact O-N 3.32Å; L425-E427 VanDerWaalsContact C-N 3.31Å; L425-E427 PolarHBondContact O-N 3.43Å; E427-E429 VanDerWaalsContact C-N 3.3Å; E427-E429 PolarHBondContact O-N 2.83Å; E427-N430 PolarHBondContact O-N 3.3Å; E427-N430 VanDerWaalsContact O-N 3.13Å
428W94.9Very high91.7Very high100 Ų10046.7 Ų46.738%0.37922%0.224SC..Hα-helixtrans-65.3-31.7178.2-175.775.7000113.3R338 A341 H424 L425 N430R338-W428 HydrophobicContact CB-CE3 4.04Å; R338-W428 HydrophobicContact CB-CH2 3.99Å; R338-W428 HydrophobicContact CB-CZ3 3.71Å; R338-W428 WeakPolarHBondContact CD-O 3.41Å; R338-W428 HydrophobicContact CG-CD2 4.43Å; R338-W428 HydrophobicContact CG-CE3 4.28Å; R338-W428 HydrophobicContact CG-CH2 3.77Å; R338-W428 HydrophobicContact CG-CZ2 3.9Å; R338-W428 HydrophobicContact CG-CZ3 3.97Å; R338-W428 PolarHBondContact NH1-O 3.34Å; R338-W428 VanDerWaalsContact O-CZ3 3.32Å; R338-W428 WeakPolarHBondContact O-CZ3 3.29Å; A341-W428 HydrophobicContact CB-CH2 3.66Å; A341-W428 HydrophobicContact CB-CZ3 3.77Å; H424-W428 WeakPolarHBondContact O-CB 3.43Å; H424-W428 PolarHBondContact O-N 3.05Å; L425-W428 WeakPolarHBondContact O-CB 3.44Å; L425-W428 PolarHBondContact O-N 2.89Å; W428-N430 PolarHBondContact O-N 2.83Å
429E94.6Very high91.8Very high9 Ų948.5 Ų48.54%0.04223%0.232CC..Hα-helixtrans-62.7-23.3173.4-78.8175.8-172.300113.8Y339 S342 L425 T426 E427 H431 S440 K444Y339-E429 HydrophobicContact CD1-CB 4.1Å; Y339-E429 HydrophobicContact CD1-CG 3.83Å; Y339-E429 HydrophobicContact CE1-CB 3.86Å; Y339-E429 HydrophobicContact CE1-CG 4.09Å; S342-E429 WeakPolarHBondContact CB-OE1 3.11Å; S342-E429 PolarHBondContact OG-OE1 3.03Å; L425-E429 VanDerWaalsContact O-CG 3.28Å; L425-E429 WeakPolarHBondContact O-CG 3.18Å; L425-E429 PolarHBondContact O-N 3.3Å; T426-E429 WeakPolarHBondContact O-CB 3.42Å; T426-E429 PolarHBondContact O-N 3.2Å; E427-E429 VanDerWaalsContact C-N 3.3Å; E427-E429 PolarHBondContact O-N 2.83Å; E429-H431 IonicContact OE2-CD2 2.7Å; E429-H431 IonicContact OE2-CE1 3.07Å; E429-H431 IonicContact OE2-NE2 3.7Å; E429-H431 PolarHBondContact OE2-NE2 3.43Å; E429-S440 PolarHBondContact OE2-OG 2.8Å; E429-K444 WeakPolarHBondContact OE1-CE 3.39Å; E429-K444 IonicContact OE1-NZ 3.7Å; E429-K444 PolarHBondContact OE1-NZ 3.15Å; E429-K444 IonicContact OE2-NZ 3.33Å; E429-K444 PolarHBondContact OE2-NZ 3.35Å
430N93.6Very high92Very high0 Ų046.2 Ų46.20%023%0.227CC..THydrogen-bonded Turntrans55.767.8174.4-174.546.2000113.5F313 H314 Y330 E427 W428F313-N430 WeakPolarHBondContact CA-OD1 3.44Å; F313-N430 WeakPolarHBondContact CD2-OD1 3.34Å; F313-N430 WeakPolarHBondContact CE2-O 3.36Å; H314-N430 PolarHBondContact CE1-OD1 3.39Å; H314-N430 PolarHBondContact N-OD1 3.03Å; H314-N430 PolarHBondContact ND1-OD1 2.99Å; H314-N430 VanDerWaalsContact ND1-OD1 3.12Å; H314-N430 PolarHBondContact O-ND2 3.43Å; Y330-N430 WeakPolarHBondContact CD2-ND2 3.21Å; E427-N430 PolarHBondContact O-N 3.3Å; E427-N430 VanDerWaalsContact O-N 3.13Å; W428-N430 PolarHBondContact O-N 2.83Å
431H92.3Very high92Very high11 Ų1143.2 Ų43.25%0.05121%0.208CC..  trans-77.4144.3175-65.1-75000112R310 F313 Y339 E429 D436 S440R310-H431 PolarHBondContact NE-O 3.15Å; F313-H431 VanDerWaalsContact CD2-O 3.26Å; F313-H431 WeakPolarHBondContact CD2-O 3.43Å; Y339-H431 AromaticContact CE1-CE1 3.62Å; Y339-H431 AromaticContact CZ-CE1 3.61Å; Y339-H431 AromaticContact CZ-ND1 4Å; Y339-H431 PolarHBondContact OH-CE1 2.99Å; Y339-H431 PolarHBondContact OH-ND1 2.68Å; Y339-H431 VanDerWaalsContact OH-ND1 3.12Å; E429-H431 IonicContact OE2-CD2 2.7Å; E429-H431 IonicContact OE2-CE1 3.07Å; E429-H431 IonicContact OE2-NE2 3.7Å; E429-H431 PolarHBondContact OE2-NE2 3.43Å; H431-D436 HydrophobicContact CB-CB 4.21Å; H431-S440 WeakPolarHBondContact NE2-CB 3.21Å
432C87.7Confident91.9Very high35 Ų3541.3 Ų41.324%0.23620%0.198CC..SBendtrans-78.2-46.8-176.4-175.60000112.1Q309 R310 F313Q309-C432 WeakPolarHBondContact CA-O 3.45Å; R310-C432 PolarHBondContact N-O 3.48Å; F313-C432 HydrophobicContact CD1-CB 4.3Å; F313-C432 HydrophobicContact CD2-CB 4.16Å; F313-C432 HydrophobicContact CE1-CB 4.11Å; F313-C432 HydrophobicContact CE2-CB 3.96Å; F313-C432 HydrophobicContact CG-CB 4.34Å; F313-C432 HydrophobicContact CZ-CB 3.95Å
433T85.5Confident91.8Very high11 Ų1144.4 Ų44.47%0.06721%0.214CC..BIsolated β-bridgetrans-99.8151.2-177.869.20000110.6D308 K435 D436 Y437D308-T433 WeakPolarHBondContact O-CA 3.5Å; T433-K435 PolarHBondContact O-N 3.48Å; T433-D436 PolarHBondContact O-N 3.29Å; T433-D436 WeakPolarHBondContact OG1-CB 3.43Å; T433-D436 PolarHBondContact OG1-N 3.48Å; T433-D436 VanDerWaalsContact OG1-N 3.08Å; T433-D436 PolarHBondContact OG1-OD2 2.77Å; T433-Y437 PolarHBondContact O-N 3.43Å
434N84.6Confident91.8Very high52 Ų5241.9 Ų41.928%0.27820%0.202SC..Hα-helixtrans-62.6-37.1173.8-62.5-48.7000111D308 R310 D436 Y437 E438D308-N434 PolarHBondContact O-N 3.38Å; D308-N434 VanDerWaalsContact O-N 3.11Å; D308-N434 PolarHBondContact O-ND2 2.67Å; D308-N434 WeakPolarHBondContact OD1-CB 3.34Å; D308-N434 PolarHBondContact OD1-ND2 2.8Å; R310-N434 WeakPolarHBondContact CB-OD1 3.44Å; R310-N434 WeakPolarHBondContact CG-OD1 3.34Å; N434-D436 PolarHBondContact O-N 2.63Å; N434-Y437 WeakPolarHBondContact O-CB 3.31Å; N434-Y437 PolarHBondContact O-N 3.42Å; N434-E438 WeakPolarHBondContact O-CB 3.42Å; N434-E438 WeakPolarHBondContact O-CG 3.46Å; N434-E438 PolarHBondContact O-N 3.18Å
435K83.4Confident91.7Very high57 Ų5736.5 Ų36.525%0.24818%0.176CC..Hα-helixtrans-59.6-45.9177-174.9176.8179175.20113.4T433 Y437 E438 H439T433-K435 PolarHBondContact O-N 3.48Å; K435-Y437 VanDerWaalsContact C-N 3.34Å; K435-E438 PolarHBondContact O-N 3.02Å; K435-H439 VanDerWaalsContact CE-CE1 3.41Å; K435-H439 WeakPolarHBondContact CE-CE1 3.25Å; K435-H439 WeakPolarHBondContact CE-NE2 3.42Å; K435-H439 WeakPolarHBondContact O-CB 3.22Å; K435-H439 PolarHBondContact O-CD2 3.35Å; K435-H439 VanDerWaalsContact O-CG 3.23Å; K435-H439 PolarHBondContact O-N 3.43Å
436D88.2Confident91.5Very high81 Ų8136.2 Ų36.243%0.43317%0.174SC..Hα-helixtrans-67.4-38.5179.4-66.5-33.3000111.4H431 T433 N434 S440H431-D436 HydrophobicContact CB-CB 4.21Å; T433-D436 PolarHBondContact O-N 3.29Å; T433-D436 WeakPolarHBondContact OG1-CB 3.43Å; T433-D436 PolarHBondContact OG1-N 3.48Å; T433-D436 VanDerWaalsContact OG1-N 3.08Å; T433-D436 PolarHBondContact OG1-OD2 2.77Å; N434-D436 PolarHBondContact O-N 2.63Å; D436-S440 PolarHBondContact O-N 3.39Å
437Y91.7Very high91.5Very high41 Ų4139.2 Ų39.216%0.16119%0.19CC..Hα-helixtrans-59-53.1172.9177.2-91000111T426 T433 N434 K435 H439 S440 L441T426-Y437 HydrophobicContact CG2-CD2 3.45Å; T426-Y437 VanDerWaalsContact CG2-CD2 3.45Å; T426-Y437 HydrophobicContact CG2-CE2 3.5Å; T426-Y437 HydrophobicContact CG2-CG 4.06Å; T426-Y437 WeakPolarHBondContact CG2-O 3.4Å; T433-Y437 PolarHBondContact O-N 3.43Å; N434-Y437 WeakPolarHBondContact O-CB 3.31Å; N434-Y437 PolarHBondContact O-N 3.42Å; K435-Y437 VanDerWaalsContact C-N 3.34Å; Y437-H439 PolarHBondContact O-N 2.9Å; Y437-S440 PolarHBondContact O-N 2.7Å; Y437-L441 HydrophobicContact CE1-CD2 4.11Å; Y437-L441 WeakPolarHBondContact O-CB 3.17Å; Y437-L441 PolarHBondContact O-N 3.45Å
438E89.2Confident91.3Very high88 Ų8836.3 Ų36.341%0.41118%0.177SC..Hα-helixtrans-58-48.2178.6-75.5178.8-178.800110.7N434 K435 S440 L441 I442N434-E438 WeakPolarHBondContact O-CB 3.42Å; N434-E438 WeakPolarHBondContact O-CG 3.46Å; N434-E438 PolarHBondContact O-N 3.18Å; K435-E438 PolarHBondContact O-N 3.02Å; E438-S440 VanDerWaalsContact C-N 3.32Å; E438-S440 PolarHBondContact O-N 3.35Å; E438-L441 PolarHBondContact O-N 3.37Å; E438-I442 HydrophobicContact CB-CD1 4.49Å; E438-I442 WeakPolarHBondContact O-CB 3.04Å; E438-I442 WeakPolarHBondContact O-CD1 3.47Å; E438-I442 WeakPolarHBondContact O-CG1 3.26Å; E438-I442 PolarHBondContact O-N 3.09Å
439H91.8Very high91.1Very high46 Ų4634 Ų3421%0.21317%0.17CC..Hα-helixtrans-56.2-44.4177.7-75.4-165.9000112.8K435 Y437 I442 I443K435-H439 VanDerWaalsContact CE-CE1 3.41Å; K435-H439 WeakPolarHBondContact CE-CE1 3.25Å; K435-H439 WeakPolarHBondContact CE-NE2 3.42Å; K435-H439 WeakPolarHBondContact O-CB 3.22Å; K435-H439 PolarHBondContact O-CD2 3.35Å; K435-H439 VanDerWaalsContact O-CG 3.23Å; K435-H439 PolarHBondContact O-N 3.43Å; Y437-H439 PolarHBondContact O-N 2.9Å; H439-I442 PolarHBondContact O-N 3.38Å; H439-I443 WeakPolarHBondContact O-CG1 3.32Å; H439-I443 PolarHBondContact O-N 3.1Å; H439-I443 VanDerWaalsContact O-N 3.1Å
440S93.9Very high91Very high21 Ų2135.4 Ų35.415%0.14718%0.177CC..Hα-helixtrans-67.7-39.4179.1-171.10000112E429 H431 D436 Y437 E438 K444E429-S440 PolarHBondContact OE2-OG 2.8Å; H431-S440 WeakPolarHBondContact NE2-CB 3.21Å; D436-S440 PolarHBondContact O-N 3.39Å; Y437-S440 PolarHBondContact O-N 2.7Å; E438-S440 VanDerWaalsContact C-N 3.32Å; E438-S440 PolarHBondContact O-N 3.35Å; S440-K444 WeakPolarHBondContact O-CG 3.46Å; S440-K444 PolarHBondContact O-N 3.04Å; S440-K444 PolarHBondContact O-NZ 3.14Å; S440-K444 PolarHBondContact OG-NZ 3.36Å
441L93.7Very high90.9Very high22 Ų2236.4 Ų36.412%0.11518%0.184CC..Hα-helixtrans-64.4-43175.3-177.960.8000111.4A422 E423 T426 Y437 E438 K444 R445A422-L441 HydrophobicContact CB-CD1 3.79Å; E423-L441 HydrophobicContact CG-CD1 4.07Å; E423-L441 HydrophobicContact CG-CD2 4.38Å; T426-L441 HydrophobicContact CG2-CB 4.28Å; Y437-L441 HydrophobicContact CE1-CD2 4.11Å; Y437-L441 WeakPolarHBondContact O-CB 3.17Å; Y437-L441 PolarHBondContact O-N 3.45Å; E438-L441 PolarHBondContact O-N 3.37Å; L441-K444 PolarHBondContact O-N 3.28Å; L441-R445 HydrophobicContact CD1-CG 4.3Å; L441-R445 WeakPolarHBondContact O-CG 3.34Å; L441-R445 PolarHBondContact O-N 3.34Å
442I92.9Very high90.7Very high16 Ų1636.7 Ų36.78%0.08219%0.185CC..Hα-helixtrans-58.4-49.8178.4-72.3172.1000110.9E438 H439 K444 R445 F446 F538 I599 W600 L603E438-I442 HydrophobicContact CB-CD1 4.49Å; E438-I442 WeakPolarHBondContact O-CB 3.04Å; E438-I442 WeakPolarHBondContact O-CD1 3.47Å; E438-I442 WeakPolarHBondContact O-CG1 3.26Å; E438-I442 PolarHBondContact O-N 3.09Å; H439-I442 PolarHBondContact O-N 3.38Å; I442-K444 VanDerWaalsContact C-N 3.33Å; I442-K444 PolarHBondContact O-N 3.38Å; I442-R445 PolarHBondContact O-N 2.83Å; I442-F446 WeakPolarHBondContact O-CB 3.42Å; I442-F446 PolarHBondContact O-N 2.83Å; I442-F538 HydrophobicContact CB-CD2 4.34Å; I442-F538 HydrophobicContact CB-CE2 4Å; I442-F538 HydrophobicContact CD1-CD2 4.26Å; I442-F538 HydrophobicContact CG1-CD2 3.55Å; I442-F538 HydrophobicContact CG1-CE2 3.71Å; I442-F538 HydrophobicContact CG2-CD2 4.42Å; I442-F538 HydrophobicContact CG2-CE2 3.95Å; I442-I599 HydrophobicContact CD1-CG2 3.79Å; I442-I599 HydrophobicContact CG2-CG1 3.84Å; I442-I599 HydrophobicContact CG2-CG2 4.11Å; I442-W600 HydrophobicContact CD1-CZ2 3.97Å; I442-W600 HydrophobicContact CG1-CZ2 4.43Å; I442-W600 HydrophobicContact CG2-CH2 4.02Å; I442-W600 HydrophobicContact CG2-CZ2 4.28Å; I442-W600 HydrophobicContact CG2-CZ3 4.16Å; I442-L603 HydrophobicContact CG2-CD1 4.23Å
443I94.1Very high90.8Very high66 Ų6635.5 Ų35.534%0.33818%0.178SC..Hα-helixtrans-60-45.6-180-69165.7000110.5H439 F446 L447 I599H439-I443 WeakPolarHBondContact O-CG1 3.32Å; H439-I443 PolarHBondContact O-N 3.1Å; H439-I443 VanDerWaalsContact O-N 3.1Å; I443-F446 PolarHBondContact O-N 2.88Å; I443-L447 HydrophobicContact CG2-CD1 4.04Å; I443-L447 HydrophobicContact CG2-CG 4.48Å; I443-L447 VanDerWaalsContact O-CG 3.28Å; I443-L447 WeakPolarHBondContact O-CG 3.38Å; I443-L447 PolarHBondContact O-N 3.39Å; I443-I599 HydrophobicContact CD1-CD1 3.91Å; I443-I599 HydrophobicContact CG1-CD1 3.86Å; I443-I599 HydrophobicContact CG1-CG1 4.45Å
444K94.4Very high91.2Very high10 Ų1035.4 Ų35.44%0.04318%0.177CC..Hα-helixtrans-60.8-52.7178.7-71.8-172.9-163.381.70111.3S342 T346 F418 A422 L425 T426 E429 S440 L441 I442 F446 L447 F448S342-K444 WeakPolarHBondContact OG-CE 3.28Å; T346-K444 HydrophobicContact CG2-CG 4.39Å; F418-K444 HydrophobicContact CE1-CB 4.38Å; F418-K444 VanDerWaalsContact CE1-O 3.28Å; F418-K444 WeakPolarHBondContact CE1-O 3.13Å; F418-K444 HydrophobicContact CZ-CB 4.03Å; A422-K444 HydrophobicContact CB-CB 4.1Å; A422-K444 HydrophobicContact CB-CD 4.42Å; L425-K444 HydrophobicContact CB-CD 4.46Å; T426-K444 PolarHBondContact OG1-NZ 2.95Å; E429-K444 WeakPolarHBondContact OE1-CE 3.39Å; E429-K444 IonicContact OE1-NZ 3.7Å; E429-K444 PolarHBondContact OE1-NZ 3.15Å; E429-K444 IonicContact OE2-NZ 3.33Å; E429-K444 PolarHBondContact OE2-NZ 3.35Å; S440-K444 WeakPolarHBondContact O-CG 3.46Å; S440-K444 PolarHBondContact O-N 3.04Å; S440-K444 PolarHBondContact O-NZ 3.14Å; S440-K444 PolarHBondContact OG-NZ 3.36Å; L441-K444 PolarHBondContact O-N 3.28Å; I442-K444 VanDerWaalsContact C-N 3.33Å; I442-K444 PolarHBondContact O-N 3.38Å; K444-F446 VanDerWaalsContact C-N 3.34Å; K444-F446 PolarHBondContact O-N 2.85Å; K444-L447 PolarHBondContact O-N 3.42Å; K444-F448 WeakPolarHBondContact O-CD2 3.5Å
445R92.7Very high91.5Very high25 Ų2534.3 Ų34.39%0.09418%0.177CC..Hα-helixtrans-57.9-45.4178.1-70.6176.568.3-174.9-2.9111.9A422 L441 I442 L447 F448 E449 E536 F538 D539A422-R445 HydrophobicContact CB-CG 4.35Å; L441-R445 HydrophobicContact CD1-CG 4.3Å; L441-R445 WeakPolarHBondContact O-CG 3.34Å; L441-R445 PolarHBondContact O-N 3.34Å; I442-R445 PolarHBondContact O-N 2.83Å; R445-L447 PolarHBondContact O-N 3.44Å; R445-F448 PolarHBondContact O-N 2.96Å; R445-E449 WeakPolarHBondContact O-CG 3.39Å; R445-E449 PolarHBondContact O-N 2.65Å; R445-E536 IonicContact NH1-OE2 3.34Å; R445-F538 HydrophobicContact CB-CE1 4.21Å; R445-F538 HydrophobicContact CB-CE2 4.35Å; R445-F538 HydrophobicContact CB-CZ 3.57Å; R445-F538 HydrophobicContact CG-CZ 4.43Å; R445-F538 VanDerWaalsContact NE-CE1 3.3Å; R445-F538 VanDerWaalsContact NH1-CD1 3.31Å; R445-D539 IonicContact NH2-OD1 3.04Å; R445-D539 PolarHBondContact NH2-OD1 2.93Å
446F93.4Very high91.7Very high6 Ų632.2 Ų32.23%0.02617%0.172CC..Hα-helixtrans-60-42.6178.7174.7-105.3000113I442 I443 K444 F448 E449 L450 L542 V545 L546 L603I442-F446 WeakPolarHBondContact O-CB 3.42Å; I442-F446 PolarHBondContact O-N 2.83Å; I443-F446 PolarHBondContact O-N 2.88Å; K444-F446 VanDerWaalsContact C-N 3.34Å; K444-F446 PolarHBondContact O-N 2.85Å; F446-F448 VanDerWaalsContact C-N 3.27Å; F446-F448 PolarHBondContact O-N 3.33Å; F446-E449 PolarHBondContact O-N 2.95Å; F446-L450 HydrophobicContact CD1-CD1 4.36Å; F446-L450 HydrophobicContact CE1-CB 4.49Å; F446-L450 HydrophobicContact CE1-CD1 3.49Å; F446-L450 VanDerWaalsContact CE1-CD1 3.49Å; F446-L450 HydrophobicContact CZ-CB 4.5Å; F446-L450 HydrophobicContact CZ-CD1 3.62Å; F446-L450 WeakPolarHBondContact O-CB 3.37Å; F446-L450 PolarHBondContact O-N 3.48Å; F446-L542 HydrophobicContact CB-CD1 4.34Å; F446-L542 HydrophobicContact CD2-CD1 3.59Å; F446-L542 HydrophobicContact CE2-CD1 4.45Å; F446-L542 HydrophobicContact CG-CD1 4.47Å; F446-V545 HydrophobicContact CD2-CG1 4.35Å; F446-V545 HydrophobicContact CE2-CB 4.5Å; F446-V545 HydrophobicContact CE2-CG1 3.53Å; F446-V545 HydrophobicContact CZ-CG1 3.98Å; F446-L546 HydrophobicContact CE2-CD2 4.19Å; F446-L603 HydrophobicContact CB-CD1 4.25Å; F446-L603 HydrophobicContact CD1-CD1 4.14Å; F446-L603 HydrophobicContact CD1-CD2 3.65Å; F446-L603 HydrophobicContact CD1-CG 4.45Å; F446-L603 HydrophobicContact CD2-CD1 4.08Å; F446-L603 HydrophobicContact CE1-CD2 3.8Å; F446-L603 HydrophobicContact CE2-CD1 4.48Å; F446-L603 HydrophobicContact CG-CD1 3.88Å; F446-L603 HydrophobicContact CG-CD2 4.25Å
447L93.6Very high91.8Very high63 Ų6328.3 Ų28.333%0.3315%0.151SC..Hα-helixtrans-62-33.9-178.1-74.3169.6000113L350 I443 K444 R445 V451L350-L447 HydrophobicContact CD1-CB 4.14Å; L350-L447 HydrophobicContact CD1-CD1 4.48Å; L350-L447 HydrophobicContact CD2-CB 4.12Å; L350-L447 WeakPolarHBondContact CD2-O 3.19Å; I443-L447 HydrophobicContact CG2-CD1 4.04Å; I443-L447 HydrophobicContact CG2-CG 4.48Å; I443-L447 VanDerWaalsContact O-CG 3.28Å; I443-L447 WeakPolarHBondContact O-CG 3.38Å; I443-L447 PolarHBondContact O-N 3.39Å; K444-L447 PolarHBondContact O-N 3.42Å; R445-L447 PolarHBondContact O-N 3.44Å; L447-V451 WeakPolarHBondContact O-CG2 3.27Å; L447-V451 PolarHBondContact O-N 3.13Å
448F91.8Very high91.8Very high3 Ų327.8 Ų27.81%0.01316%0.155CC..Hα-helixtrans-73.9-50.3177.9-81.3-99.8000111.3T346 C349 L350 A353 F418 K444 R445 F446 L450 V451 D452T346-F448 HydrophobicContact CG2-CE2 3.81Å; T346-F448 WeakPolarHBondContact O-CZ 3.36Å; C349-F448 VanDerWaalsContact C-CE1 3.41Å; C349-F448 VanDerWaalsContact C-CZ 3.49Å; C349-F448 HydrophobicContact CB-CE1 3.6Å; C349-F448 HydrophobicContact CB-CE2 4.46Å; C349-F448 HydrophobicContact CB-CZ 3.27Å; C349-F448 WeakPolarHBondContact O-CE1 3.24Å; L350-F448 HydrophobicContact CB-CZ 4.27Å; L350-F448 HydrophobicContact CD1-CE2 4.4Å; L350-F448 HydrophobicContact CD2-CB 4.42Å; L350-F448 HydrophobicContact CD2-CD1 3.93Å; L350-F448 HydrophobicContact CD2-CD2 3.43Å; L350-F448 VanDerWaalsContact CD2-CD2 3.43Å; L350-F448 HydrophobicContact CD2-CE1 3.86Å; L350-F448 HydrophobicContact CD2-CE2 3.33Å; L350-F448 HydrophobicContact CD2-CG 3.72Å; L350-F448 HydrophobicContact CD2-CZ 3.55Å; L350-F448 HydrophobicContact CG-CD2 4.15Å; L350-F448 HydrophobicContact CG-CE1 4.2Å; L350-F448 HydrophobicContact CG-CE2 3.52Å; L350-F448 HydrophobicContact CG-CZ 3.54Å; L350-F448 VanDerWaalsContact N-CZ 3.32Å; A353-F448 HydrophobicContact CB-CD1 4.49Å; F418-F448 HydrophobicContact CB-CD1 4.21Å; F418-F448 HydrophobicContact CB-CG 4.44Å; F418-F448 HydrophobicContact CD1-CB 3.71Å; F418-F448 HydrophobicContact CD1-CD1 4.01Å; F418-F448 AromaticContact CD1-CD2 3.57Å; F418-F448 HydrophobicContact CD1-CD2 3.57Å; F418-F448 HydrophobicContact CD1-CE2 4.26Å; F418-F448 AromaticContact CD1-CG 3.43Å; F418-F448 HydrophobicContact CD1-CG 3.43Å; F418-F448 VanDerWaalsContact CD1-CG 3.43Å; F418-F448 AromaticContact CD2-CD1 3.53Å; F418-F448 HydrophobicContact CD2-CD1 3.53Å; F418-F448 AromaticContact CD2-CD2 3.65Å; F418-F448 HydrophobicContact CD2-CD2 3.65Å; F418-F448 AromaticContact CD2-CE1 3.37Å; F418-F448 HydrophobicContact CD2-CE1 3.37Å; F418-F448 AromaticContact CD2-CE2 3.53Å; F418-F448 HydrophobicContact CD2-CE2 3.53Å; F418-F448 AromaticContact CD2-CG 3.66Å; F418-F448 HydrophobicContact CD2-CG 3.66Å; F418-F448 AromaticContact CD2-CZ 3.38Å; F418-F448 HydrophobicContact CD2-CZ 3.38Å; F418-F448 HydrophobicContact CE1-CB 3.97Å; F418-F448 HydrophobicContact CE1-CD1 4.38Å; F418-F448 AromaticContact CE1-CD2 3.12Å; F418-F448 HydrophobicContact CE1-CD2 3.12Å; F418-F448 AromaticContact CE1-CE2 3.71Å; F418-F448 HydrophobicContact CE1-CE2 3.71Å; F418-F448 AromaticContact CE1-CG 3.53Å; F418-F448 HydrophobicContact CE1-CG 3.53Å; F418-F448 AromaticContact CE2-CD1 3.99Å; F418-F448 HydrophobicContact CE2-CD1 3.99Å; F418-F448 AromaticContact CE2-CD2 3.26Å; F418-F448 HydrophobicContact CE2-CD2 3.26Å; F418-F448 AromaticContact CE2-CE1 3.67Å; F418-F448 HydrophobicContact CE2-CE1 3.67Å; F418-F448 AromaticContact CE2-CE2 2.89Å; F418-F448 HydrophobicContact CE2-CE2 2.89Å; F418-F448 AromaticContact CE2-CG 3.8Å; F418-F448 HydrophobicContact CE2-CG 3.8Å; F418-F448 AromaticContact CE2-CZ 3.12Å; F418-F448 HydrophobicContact CE2-CZ 3.12Å; F418-F448 HydrophobicContact CG-CB 4.13Å; F418-F448 AromaticContact CG-CD1 3.57Å; F418-F448 HydrophobicContact CG-CD1 3.57Å; F418-F448 AromaticContact CG-CD2 3.82Å; F418-F448 HydrophobicContact CG-CD2 3.82Å; F418-F448 AromaticContact CG-CE1 3.93Å; F418-F448 HydrophobicContact CG-CE1 3.93Å; F418-F448 HydrophobicContact CG-CE2 4.18Å; F418-F448 AromaticContact CG-CG 3.5Å; F418-F448 HydrophobicContact CG-CG 3.5Å; F418-F448 VanDerWaalsContact CG-CG 3.5Å; F418-F448 HydrophobicContact CG-CZ 4.23Å; F418-F448 HydrophobicContact CZ-CD1 4.38Å; F418-F448 AromaticContact CZ-CD2 2.95Å; F418-F448 HydrophobicContact CZ-CD2 2.95Å; F418-F448 HydrophobicContact CZ-CE1 4.39Å; F418-F448 AromaticContact CZ-CE2 2.99Å; F418-F448 HydrophobicContact CZ-CE2 2.99Å; F418-F448 AromaticContact CZ-CG 3.72Å; F418-F448 HydrophobicContact CZ-CG 3.72Å; F418-F448 AromaticContact CZ-CZ 3.76Å; F418-F448 HydrophobicContact CZ-CZ 3.76Å; K444-F448 WeakPolarHBondContact O-CD2 3.5Å; R445-F448 PolarHBondContact O-N 2.96Å; F446-F448 VanDerWaalsContact C-N 3.27Å; F446-F448 PolarHBondContact O-N 3.33Å; F448-L450 PolarHBondContact O-N 3.5Å; F448-V451 PolarHBondContact O-N 3.39Å; F448-D452 PolarHBondContact O-N 3.36Å
449E90.8Very high91.7Very high52 Ų5224.3 Ų24.324%0.24314%0.138CC..Hα-helixtrans-60-32.7176.5-63.3-72.1-173.700111.3N414 R445 F446 A453 L542 L546N414-E449 WeakPolarHBondContact CB-OE1 3.42Å; N414-E449 PolarHBondContact ND2-OE2 3.18Å; R445-E449 WeakPolarHBondContact O-CG 3.39Å; R445-E449 PolarHBondContact O-N 2.65Å; F446-E449 PolarHBondContact O-N 2.95Å; E449-A453 WeakPolarHBondContact O-CB 3.4Å; E449-A453 PolarHBondContact O-N 3.4Å; E449-L542 HydrophobicContact CG-CD2 4.07Å; E449-L546 HydrophobicContact CB-CD1 4.21Å
450L92.4Very high91.5Very high37 Ų3722.6 Ų22.619%0.19413%0.131CC..Hα-helixtrans-63.5-46.4173.1-178.4154000112F446 F448 D452 Y454F446-L450 HydrophobicContact CD1-CD1 4.36Å; F446-L450 HydrophobicContact CE1-CB 4.49Å; F446-L450 HydrophobicContact CE1-CD1 3.49Å; F446-L450 VanDerWaalsContact CE1-CD1 3.49Å; F446-L450 HydrophobicContact CZ-CB 4.5Å; F446-L450 HydrophobicContact CZ-CD1 3.62Å; F446-L450 WeakPolarHBondContact O-CB 3.37Å; F446-L450 PolarHBondContact O-N 3.48Å; F448-L450 PolarHBondContact O-N 3.5Å; L450-D452 VanDerWaalsContact C-N 3.33Å; L450-Y454 HydrophobicContact CB-CD2 4.5Å; L450-Y454 HydrophobicContact CB-CE2 4.49Å; L450-Y454 HydrophobicContact CD1-CD2 4.45Å; L450-Y454 HydrophobicContact CD1-CE2 4.31Å; L450-Y454 HydrophobicContact CD2-CD2 4.12Å; L450-Y454 HydrophobicContact CG-CD2 3.64Å; L450-Y454 HydrophobicContact CG-CE2 3.8Å; L450-Y454 WeakPolarHBondContact O-CB 3.45Å; L450-Y454 WeakPolarHBondContact O-CD2 3.35Å; L450-Y454 PolarHBondContact O-N 3.04Å
451V91.5Very high91.2Very high22 Ų2221.8 Ų21.813%0.13313%0.125CC..Hα-helixtrans-63.7-40.5179.2162.60000111L350 A353 I354 L447 F448 G455L350-V451 HydrophobicContact CD2-CB 4.45Å; L350-V451 HydrophobicContact CD2-CG2 3.89Å; A353-V451 HydrophobicContact CB-CG1 4.22Å; I354-V451 HydrophobicContact CD1-CG1 4.43Å; I354-V451 HydrophobicContact CG1-CG1 3.55Å; L447-V451 WeakPolarHBondContact O-CG2 3.27Å; L447-V451 PolarHBondContact O-N 3.13Å; F448-V451 PolarHBondContact O-N 3.39Å; V451-G455 WeakPolarHBondContact O-CA 3.33Å; V451-G455 PolarHBondContact O-N 2.87Å
452D88.1Confident90.9Very high16 Ų1624.4 Ų24.49%0.08614%0.136CC..Hα-helixtrans-77.7-39-178.8-64.2-28000112.4N357 V410 M413 N414 F448 L450N357-D452 PolarHBondContact ND2-OD1 3.23Å; V410-D452 HydrophobicContact CG1-CB 3.97Å; M413-D452 VanDerWaalsContact CE-OD1 3.23Å; M413-D452 WeakPolarHBondContact CE-OD1 3.42Å; M413-D452 WeakPolarHBondContact CE-OD2 3.11Å; N414-D452 PolarHBondContact ND2-OD2 3.26Å; N414-D452 PolarHBondContact OD1-OD2 2.93Å; F448-D452 PolarHBondContact O-N 3.36Å; L450-D452 VanDerWaalsContact C-N 3.33Å
453A90Very high90.5Very high10 Ų1027 Ų278%0.08315%0.149CC..Hα-helixtrans-66-40176.900000112.3E449 M477 L546 Y550E449-A453 WeakPolarHBondContact O-CB 3.4Å; E449-A453 PolarHBondContact O-N 3.4Å; A453-M477 VanDerWaalsContact O-CE 3.23Å; A453-M477 WeakPolarHBondContact O-CE 3.14Å; A453-L546 HydrophobicContact CB-CD2 4.3Å; A453-Y550 HydrophobicContact CB-CE1 4.48Å; A453-Y550 WeakPolarHBondContact CB-OH 3.48Å
454Y92.7Very high90Very high10 Ų1025.5 Ų25.54%0.03914%0.142CC..Hα-helixtrans-111.5-13.3-170.7-52.9-33.2000114.5L450 G456 L457 A458 L546 G549 Y550 L553 F554 Q607L450-Y454 HydrophobicContact CB-CD2 4.5Å; L450-Y454 HydrophobicContact CB-CE2 4.49Å; L450-Y454 HydrophobicContact CD1-CD2 4.45Å; L450-Y454 HydrophobicContact CD1-CE2 4.31Å; L450-Y454 HydrophobicContact CD2-CD2 4.12Å; L450-Y454 HydrophobicContact CG-CD2 3.64Å; L450-Y454 HydrophobicContact CG-CE2 3.8Å; L450-Y454 WeakPolarHBondContact O-CB 3.45Å; L450-Y454 WeakPolarHBondContact O-CD2 3.35Å; L450-Y454 PolarHBondContact O-N 3.04Å; Y454-G456 PolarHBondContact O-N 3.18Å; Y454-L457 HydrophobicContact CD1-CD1 4.43Å; Y454-L457 PolarHBondContact O-N 3Å; Y454-A458 WeakPolarHBondContact O-CB 3.27Å; Y454-A458 PolarHBondContact O-N 3.17Å; Y454-L546 HydrophobicContact CE2-CD2 4.49Å; Y454-L546 VanDerWaalsContact OH-CA 3.25Å; Y454-L546 WeakPolarHBondContact OH-CA 3.36Å; Y454-L546 PolarHBondContact OH-O 3.08Å; Y454-G549 VanDerWaalsContact OH-CA 3.31Å; Y454-G549 WeakPolarHBondContact OH-CA 3.42Å; Y454-Y550 HydrophobicContact CD1-CD1 4Å; Y454-Y550 AromaticContact CD1-CE1 3.9Å; Y454-Y550 HydrophobicContact CD1-CE1 3.9Å; Y454-Y550 AromaticContact CE1-CD1 3.71Å; Y454-Y550 HydrophobicContact CE1-CD1 3.71Å; Y454-Y550 HydrophobicContact CE1-CD2 4.19Å; Y454-Y550 AromaticContact CE1-CE1 3.82Å; Y454-Y550 HydrophobicContact CE1-CE1 3.82Å; Y454-Y550 HydrophobicContact CE1-CE2 4.29Å; Y454-Y550 AromaticContact CE1-CG 3.93Å; Y454-Y550 HydrophobicContact CE1-CG 3.93Å; Y454-L553 HydrophobicContact CD2-CD1 3.58Å; Y454-L553 HydrophobicContact CE2-CD1 3.58Å; Y454-L553 HydrophobicContact CG-CD1 4.23Å; Y454-F554 AromaticContact CD1-CE2 3.71Å; Y454-F554 HydrophobicContact CD1-CE2 3.71Å; Y454-F554 AromaticContact CG-CE2 3.92Å; Y454-F554 HydrophobicContact CG-CE2 3.92Å; Y454-F554 HydrophobicContact CG-CZ 4.37Å; Y454-Q607 PolarHBondContact OH-NE2 3.47Å
455G90.4Very high89.5Confident28 Ų2825.7 Ų25.729%0.28915%0.145SC..Hα-helixtrans-60.4-48.7-175.600000112.9V451 L457 A458 Y459V451-G455 WeakPolarHBondContact O-CA 3.33Å; V451-G455 PolarHBondContact O-N 2.87Å; G455-L457 VanDerWaalsContact C-N 3.33Å; G455-L457 PolarHBondContact O-N 3.2Å; G455-A458 PolarHBondContact O-N 2.86Å; G455-Y459 PolarHBondContact O-N 3.1Å
456G87.8Confident89.2Confident13 Ų1327.7 Ų27.713%0.13416%0.158CC..Hα-helixtrans-62.4-39176.200000112.9Y454 Y459 L460Y454-G456 PolarHBondContact O-N 3.18Å; G456-Y459 PolarHBondContact O-N 2.82Å; G456-L460 WeakPolarHBondContact O-CB 3.29Å; G456-L460 PolarHBondContact O-N 3.45Å
457L91.6Very high88.9Confident0 Ų029.7 Ų29.70%017%0.165CC..Hα-helixtrans-67.7-41.8176.7-61.9174.1000112Y454 G455 L460 G461 L470 L473 L474 M477 Y550 F554Y454-L457 HydrophobicContact CD1-CD1 4.43Å; Y454-L457 PolarHBondContact O-N 3Å; G455-L457 VanDerWaalsContact C-N 3.33Å; G455-L457 PolarHBondContact O-N 3.2Å; L457-L460 PolarHBondContact O-N 2.66Å; L457-G461 PolarHBondContact O-N 2.76Å; L457-L470 HydrophobicContact CB-CD1 3.94Å; L457-L470 HydrophobicContact CD2-CD1 3.9Å; L457-L470 VanDerWaalsContact O-CD1 3.28Å; L457-L470 WeakPolarHBondContact O-CD1 3.14Å; L457-L473 HydrophobicContact CD2-CB 4.09Å; L457-L473 HydrophobicContact CD2-CD2 4.01Å; L457-L473 HydrophobicContact CD2-CG 3.82Å; L457-L474 HydrophobicContact CD1-CD1 3.61Å; L457-L474 HydrophobicContact CD2-CB 3.95Å; L457-L474 HydrophobicContact CD2-CD1 4.39Å; L457-M477 HydrophobicContact CD1-SD 4.35Å; L457-M477 HydrophobicContact CD2-SD 3.92Å; L457-M477 HydrophobicContact CG-SD 3.91Å; L457-Y550 HydrophobicContact CD1-CD1 3.77Å; L457-Y550 HydrophobicContact CD1-CE1 3.66Å; L457-F554 HydrophobicContact CB-CD1 4.19Å; L457-F554 HydrophobicContact CB-CD2 4.44Å; L457-F554 HydrophobicContact CB-CE1 3.59Å; L457-F554 HydrophobicContact CB-CE2 3.88Å; L457-F554 HydrophobicContact CB-CZ 3.42Å; L457-F554 VanDerWaalsContact CB-CZ 3.42Å; L457-F554 HydrophobicContact CD1-CD2 3.9Å; L457-F554 HydrophobicContact CD1-CE2 3.64Å; L457-F554 HydrophobicContact CD1-CZ 4.09Å; L457-F554 HydrophobicContact CG-CE2 4.44Å; L457-F554 HydrophobicContact CG-CZ 4.42Å
458A90.7Very high88.6Confident29 Ų2932 Ų3224%0.2418%0.177CC..Hα-helixtrans-64-42.7176.400000111.1Y454 G455 G461 F462Y454-A458 WeakPolarHBondContact O-CB 3.27Å; Y454-A458 PolarHBondContact O-N 3.17Å; G455-A458 PolarHBondContact O-N 2.86Å; A458-G461 PolarHBondContact O-N 3.01Å; A458-F462 HydrophobicContact CB-CD2 4.01Å; A458-F462 HydrophobicContact CB-CE2 4.14Å; A458-F462 WeakPolarHBondContact O-CB 3.2Å; A458-F462 WeakPolarHBondContact O-CD2 3.32Å; A458-F462 PolarHBondContact O-N 3.04Å
459Y87.4Confident88.4Confident16 Ų1633 Ų336%0.06319%0.186CC..Iπ-helixtrans-58.1-51.6174.5172.7-95.2000111.3L361 I367 S372 F375 G455 G456 G461 I463 L464L361-Y459 HydrophobicContact CD1-CD1 4.25Å; L361-Y459 HydrophobicContact CD1-CG 4.44Å; I367-Y459 HydrophobicContact CD1-CD2 4.49Å; I367-Y459 HydrophobicContact CD1-CE1 4.06Å; I367-Y459 HydrophobicContact CD1-CE2 3.88Å; I367-Y459 HydrophobicContact CG1-CE1 3.84Å; I367-Y459 HydrophobicContact CG1-CE2 4.33Å; I367-Y459 WeakPolarHBondContact CG1-OH 3.44Å; S372-Y459 PolarHBondContact OG-OH 3.48Å; F375-Y459 HydrophobicContact CB-CE2 4.2Å; F375-Y459 AromaticContact CD2-CE2 3.97Å; F375-Y459 HydrophobicContact CD2-CE2 3.97Å; F375-Y459 HydrophobicContact CG-CE2 4.16Å; G455-Y459 PolarHBondContact O-N 3.1Å; G456-Y459 PolarHBondContact O-N 2.82Å; Y459-G461 VanDerWaalsContact C-N 3.33Å; Y459-G461 PolarHBondContact O-N 2.74Å; Y459-I463 HydrophobicContact CD2-CB 4.22Å; Y459-I463 HydrophobicContact CD2-CD1 3.34Å; Y459-I463 HydrophobicContact CD2-CG1 4.36Å; Y459-I463 HydrophobicContact CD2-CG2 4.49Å; Y459-I463 HydrophobicContact CE2-CB 4.19Å; Y459-I463 HydrophobicContact CE2-CD1 3.8Å; Y459-I463 HydrophobicContact CE2-CG2 3.97Å; Y459-I463 HydrophobicContact CG-CD1 4.26Å; Y459-I463 WeakPolarHBondContact O-CB 3.47Å; Y459-I463 PolarHBondContact O-N 3.18Å; Y459-L464 HydrophobicContact CD1-CD1 4.31Å; Y459-L464 HydrophobicContact CE1-CD1 3.58Å; Y459-L464 HydrophobicContact CE1-CG 3.88Å; Y459-L464 PolarHBondContact O-N 3.12Å
460L87Confident88.4Confident10 Ų1030.6 Ų30.65%0.05218%0.175CC..Iπ-helixtrans-64.6-37.1-178-170.654.5000112.9G456 L457 L464 A465 D466 A469 L470 L473G456-L460 WeakPolarHBondContact O-CB 3.29Å; G456-L460 PolarHBondContact O-N 3.45Å; L457-L460 PolarHBondContact O-N 2.66Å; L460-L464 HydrophobicContact CD1-CB 4.11Å; L460-L464 HydrophobicContact CD1-CD1 3.59Å; L460-L464 HydrophobicContact CD1-CG 4.42Å; L460-L464 WeakPolarHBondContact O-CB 3.49Å; L460-A465 PolarHBondContact O-N 2.94Å; L460-D466 HydrophobicContact CD1-CB 4.31Å; L460-D466 PolarHBondContact O-N 2.98Å; L460-A469 HydrophobicContact CD1-CB 3.79Å; L460-A469 VanDerWaalsContact CD2-C 3.44Å; L460-A469 HydrophobicContact CD2-CB 3.81Å; L460-A469 HydrophobicContact CG-CB 4.1Å; L460-L470 HydrophobicContact CB-CD1 4.5Å; L460-L470 HydrophobicContact CD2-CB 4.41Å; L460-L470 HydrophobicContact CG-CB 4.28Å; L460-L473 HydrophobicContact CD2-CB 3.98Å; L460-L473 HydrophobicContact CD2-CD2 3.71Å
461G88.4Confident88.4Confident3 Ų332.6 Ų32.63%0.03118%0.18CC..Iπ-helixtrans-77.9-47.8-179.500000114.4L457 A458 Y459 A465 L618L457-G461 PolarHBondContact O-N 2.76Å; A458-G461 PolarHBondContact O-N 3.01Å; Y459-G461 VanDerWaalsContact C-N 3.33Å; Y459-G461 PolarHBondContact O-N 2.74Å; G461-A465 WeakPolarHBondContact O-CA 3.44Å; G461-L618 VanDerWaalsContact C-CD2 3.46Å; G461-L618 VanDerWaalsContact CA-CD2 3.43Å
462F87.6Confident88.3Confident78 Ų7834.7 Ų34.734%0.34220%0.196SC..Iπ-helixtrans-87.1-38.1-174.3-64.8-66.1000113.4A458 T614 L618A458-F462 HydrophobicContact CB-CD2 4.01Å; A458-F462 HydrophobicContact CB-CE2 4.14Å; A458-F462 WeakPolarHBondContact O-CB 3.2Å; A458-F462 WeakPolarHBondContact O-CD2 3.32Å; A458-F462 PolarHBondContact O-N 3.04Å; F462-T614 HydrophobicContact CZ-CG2 4.11Å; F462-L618 HydrophobicContact CD1-CD2 4.16Å; F462-L618 HydrophobicContact CE1-CD2 3.99Å; F462-L618 HydrophobicContact CE1-CG 3.9Å; F462-L618 HydrophobicContact CE2-CD2 4.5Å; F462-L618 HydrophobicContact CG-CD2 4.47Å; F462-L618 HydrophobicContact CZ-CD2 4.14Å; F462-L618 HydrophobicContact CZ-CG 4.01Å
463I83.7Confident88.4Confident69 Ų6935.9 Ų35.935%0.35420%0.202SC..Iπ-helixtrans-91.8-48.3-173.8-64.3159.4000110.6F375 Y459F375-I463 HydrophobicContact CD2-CD1 3.85Å; F375-I463 HydrophobicContact CD2-CG2 4.42Å; F375-I463 HydrophobicContact CE2-CD1 3.26Å; F375-I463 HydrophobicContact CE2-CG1 4.11Å; F375-I463 HydrophobicContact CE2-CG2 4.48Å; F375-I463 HydrophobicContact CZ-CD1 3.74Å; Y459-I463 HydrophobicContact CD2-CB 4.22Å; Y459-I463 HydrophobicContact CD2-CD1 3.34Å; Y459-I463 HydrophobicContact CD2-CG1 4.36Å; Y459-I463 HydrophobicContact CD2-CG2 4.49Å; Y459-I463 HydrophobicContact CE2-CB 4.19Å; Y459-I463 HydrophobicContact CE2-CD1 3.8Å; Y459-I463 HydrophobicContact CE2-CG2 3.97Å; Y459-I463 HydrophobicContact CG-CD1 4.26Å; Y459-I463 WeakPolarHBondContact O-CB 3.47Å; Y459-I463 PolarHBondContact O-N 3.18Å
464L83.1Confident88.5Confident35 Ų3535.4 Ų35.418%0.18320%0.198CC..SBendtrans-85.8-18.5-179-64.1-177.6000113.6K371 Y459 L460 D466K371-L464 HydrophobicContact CB-CD2 3.78Å; K371-L464 HydrophobicContact CD-CD2 4.06Å; Y459-L464 HydrophobicContact CD1-CD1 4.31Å; Y459-L464 HydrophobicContact CE1-CD1 3.58Å; Y459-L464 HydrophobicContact CE1-CG 3.88Å; Y459-L464 PolarHBondContact O-N 3.12Å; L460-L464 HydrophobicContact CD1-CB 4.11Å; L460-L464 HydrophobicContact CD1-CD1 3.59Å; L460-L464 HydrophobicContact CD1-CG 4.42Å; L460-L464 WeakPolarHBondContact O-CB 3.49Å; L464-D466 PolarHBondContact O-N 3.32Å; L464-D466 VanDerWaalsContact O-N 3.09Å
465A85.5Confident88.5Confident15 Ų1536.6 Ų36.612%0.12421%0.205CC..  trans5328.6-178.600000113.6L460 G461 S621 R625L460-A465 PolarHBondContact O-N 2.94Å; G461-A465 WeakPolarHBondContact O-CA 3.44Å; A465-S621 WeakPolarHBondContact CB-OG 3.35Å; A465-R625 WeakPolarHBondContact O-CD 3.26Å
466D85.2Confident88.5Confident66 Ų6639 Ų3935%0.35321%0.214SC..  trans-98.696.7-178-171.9-19.3000110.7L460 L464 L468 A469 L470L460-D466 HydrophobicContact CD1-CB 4.31Å; L460-D466 PolarHBondContact O-N 2.98Å; L464-D466 PolarHBondContact O-N 3.32Å; L464-D466 VanDerWaalsContact O-N 3.09Å; D466-L468 PolarHBondContact O-N 3.4Å; D466-L468 PolarHBondContact OD1-N 2.94Å; D466-A469 HydrophobicContact CB-CB 3.93Å; D466-A469 PolarHBondContact OD1-N 3.28Å; D466-A469 WeakPolarHBondContact OD2-CB 3.44Å; D466-L470 WeakPolarHBondContact O-CB 3.28Å; D466-L470 PolarHBondContact O-N 3.39Å
467R86.8Confident88.6Confident49 Ų4940.3 Ų40.319%0.18522%0.217CC..Hα-helixtrans-62.8-37.8179.1-175.3-177.960.990.87.6113.2H258 L470 R471 Y556H258-R467 PolarHBondContact NE2-NH1 3.42Å; R467-L470 PolarHBondContact O-N 3.32Å; R467-R471 VanDerWaalsContact O-CB 3.31Å; R467-R471 WeakPolarHBondContact O-CB 3.43Å; R467-R471 PolarHBondContact O-N 2.82Å; R467-Y556 HydrophobicContact CB-CE1 4.15Å; R467-Y556 HydrophobicContact CG-CD1 4.33Å; R467-Y556 HydrophobicContact CG-CE1 3.8Å
468L87.7Confident88.7Confident110 Ų11040.3 Ų40.358%0.57622%0.217SC*.Hα-helixtrans-71.4-45-176.1-70.4178.2000110.1D466 R471 S472D466-L468 PolarHBondContact O-N 3.4Å; D466-L468 PolarHBondContact OD1-N 2.94Å; L468-R471 PolarHBondContact O-N 3.48Å; L468-S472 PolarHBondContact O-N 3.48Å; L468-S472 PolarHBondContact O-OG 2.88Å
469A87.1Confident88.7Confident25 Ų2540.4 Ų40.421%0.20722%0.218CC..Hα-helixtrans-61.4-47.5172.700000110.4L460 D466 R471 S472 L473L460-A469 HydrophobicContact CD1-CB 3.79Å; L460-A469 VanDerWaalsContact CD2-C 3.44Å; L460-A469 HydrophobicContact CD2-CB 3.81Å; L460-A469 HydrophobicContact CG-CB 4.1Å; D466-A469 HydrophobicContact CB-CB 3.93Å; D466-A469 PolarHBondContact OD1-N 3.28Å; D466-A469 WeakPolarHBondContact OD2-CB 3.44Å; A469-R471 VanDerWaalsContact C-N 3.31Å; A469-R471 PolarHBondContact O-N 2.96Å; A469-S472 PolarHBondContact O-N 3.22Å; A469-S472 VanDerWaalsContact O-N 3.07Å; A469-S472 PolarHBondContact O-OG 3.39Å; A469-L473 WeakPolarHBondContact O-CB 3.46Å; A469-L473 PolarHBondContact O-N 3.19Å
470L91.2Very high88.8Confident2 Ų243.8 Ų43.81%0.0124%0.24CC..Hα-helixtrans-54.9-46.5177179.162.6000111.8L457 L460 D466 R467 L474 F554 A557 L618L457-L470 HydrophobicContact CB-CD1 3.94Å; L457-L470 HydrophobicContact CD2-CD1 3.9Å; L457-L470 VanDerWaalsContact O-CD1 3.28Å; L457-L470 WeakPolarHBondContact O-CD1 3.14Å; L460-L470 HydrophobicContact CB-CD1 4.5Å; L460-L470 HydrophobicContact CD2-CB 4.41Å; L460-L470 HydrophobicContact CG-CB 4.28Å; D466-L470 WeakPolarHBondContact O-CB 3.28Å; D466-L470 PolarHBondContact O-N 3.39Å; R467-L470 PolarHBondContact O-N 3.32Å; L470-L474 WeakPolarHBondContact O-CB 3.28Å; L470-L474 PolarHBondContact O-N 3.24Å; L470-F554 HydrophobicContact CD1-CD1 4.25Å; L470-A557 HydrophobicContact CD2-CB 3.84Å; L470-A557 HydrophobicContact CG-CB 3.83Å; L470-L618 HydrophobicContact CD2-CD1 4.34Å; L470-L618 HydrophobicContact CD2-CD2 4.13Å
471R92.7Very high88.9Confident79 Ų7944.3 Ų44.330%0.29824%0.243SC..Hα-helixtrans-60.3-46.9176172.9178168.6-168.2-5.4111.7R467 L468 A469 L475 A557R467-R471 VanDerWaalsContact O-CB 3.31Å; R467-R471 WeakPolarHBondContact O-CB 3.43Å; R467-R471 PolarHBondContact O-N 2.82Å; L468-R471 PolarHBondContact O-N 3.48Å; A469-R471 VanDerWaalsContact C-N 3.31Å; A469-R471 PolarHBondContact O-N 2.96Å; R471-L475 HydrophobicContact CG-CD1 3.86Å; R471-L475 HydrophobicContact CG-CG 4.49Å; R471-L475 WeakPolarHBondContact O-CB 3.36Å; R471-L475 VanDerWaalsContact O-CG 3.26Å; R471-L475 WeakPolarHBondContact O-CG 3.25Å; R471-L475 PolarHBondContact O-N 3.06Å; R471-A557 HydrophobicContact CB-CB 4.42Å
472S89.3Confident89.1Confident66 Ų6644.8 Ų44.846%0.46225%0.246SC..Hα-helixtrans-64.6-43.7-17871.40000111.6L468 A469 T476L468-S472 PolarHBondContact O-N 3.48Å; L468-S472 PolarHBondContact O-OG 2.88Å; A469-S472 PolarHBondContact O-N 3.22Å; A469-S472 VanDerWaalsContact O-N 3.07Å; A469-S472 PolarHBondContact O-OG 3.39Å; S472-T476 WeakPolarHBondContact O-CB 3.35Å; S472-T476 VanDerWaalsContact O-CG2 3.26Å; S472-T476 WeakPolarHBondContact O-CG2 3.39Å; S472-T476 PolarHBondContact O-N 2.79Å; S472-T476 PolarHBondContact O-OG1 3.4Å
473L89.7Confident89.2Confident41 Ų4146.2 Ų46.222%0.21526%0.256CS..Hα-helixtrans-67.8-43.6178.3-174.760.6000111L457 L460 A469 L475 T476 M477L457-L473 HydrophobicContact CD2-CB 4.09Å; L457-L473 HydrophobicContact CD2-CD2 4.01Å; L457-L473 HydrophobicContact CD2-CG 3.82Å; L460-L473 HydrophobicContact CD2-CB 3.98Å; L460-L473 HydrophobicContact CD2-CD2 3.71Å; A469-L473 WeakPolarHBondContact O-CB 3.46Å; A469-L473 PolarHBondContact O-N 3.19Å; L473-L475 PolarHBondContact O-N 3.25Å; L473-T476 WeakPolarHBondContact CA-OG1 3.4Å; L473-T476 PolarHBondContact O-N 3.47Å; L473-T476 PolarHBondContact O-OG1 3.19Å; L473-M477 HydrophobicContact CD1-CG 3.87Å; L473-M477 HydrophobicContact CD1-SD 3.9Å; L473-M477 HydrophobicContact CD2-SD 4.25Å; L473-M477 HydrophobicContact CG-CG 4.14Å; L473-M477 HydrophobicContact CG-SD 3.71Å; L473-M477 VanDerWaalsContact O-CB 3.26Å; L473-M477 WeakPolarHBondContact O-CB 3.24Å; L473-M477 VanDerWaalsContact O-CG 3.22Å; L473-M477 WeakPolarHBondContact O-CG 3.03Å; L473-M477 PolarHBondContact O-N 3.36Å
474L93.2Very high89.5Confident0 Ų048.4 Ų48.40%026%0.26CS..Hα-helixtrans-57.8-48.9176.6178.467.6000112L457 L470 F478 Y550 F554 A557 I562L457-L474 HydrophobicContact CD1-CD1 3.61Å; L457-L474 HydrophobicContact CD2-CB 3.95Å; L457-L474 HydrophobicContact CD2-CD1 4.39Å; L470-L474 WeakPolarHBondContact O-CB 3.28Å; L470-L474 PolarHBondContact O-N 3.24Å; L474-F478 VanDerWaalsContact O-CB 3.28Å; L474-F478 WeakPolarHBondContact O-CB 3.42Å; L474-F478 PolarHBondContact O-N 3.21Å; L474-Y550 HydrophobicContact CD1-CD1 3.6Å; L474-Y550 HydrophobicContact CD1-CE1 4.49Å; L474-Y550 HydrophobicContact CD1-CG 4.32Å; L474-F554 HydrophobicContact CD1-CB 4.2Å; L474-F554 HydrophobicContact CD1-CD2 4.12Å; L474-F554 HydrophobicContact CD1-CG 4.4Å; L474-F554 HydrophobicContact CD2-CB 3.89Å; L474-A557 HydrophobicContact CD2-CB 3.98Å; L474-I562 HydrophobicContact CD1-CD1 3.98Å; L474-I562 HydrophobicContact CD2-CD1 3.57Å; L474-I562 HydrophobicContact CG-CD1 3.64Å
475L93.1Very high89.6Confident35 Ų3547 Ų4718%0.18325%0.252CS..Hα-helixtrans-67.4-40.2-179.3-70.2171.6000111.8R471 L473 A479 F561 I562R471-L475 HydrophobicContact CG-CD1 3.86Å; R471-L475 HydrophobicContact CG-CG 4.49Å; R471-L475 WeakPolarHBondContact O-CB 3.36Å; R471-L475 VanDerWaalsContact O-CG 3.26Å; R471-L475 WeakPolarHBondContact O-CG 3.25Å; R471-L475 PolarHBondContact O-N 3.06Å; L473-L475 PolarHBondContact O-N 3.25Å; L475-A479 VanDerWaalsContact O-CB 3.27Å; L475-A479 WeakPolarHBondContact O-CB 3.33Å; L475-A479 PolarHBondContact O-N 3.33Å; L475-F561 HydrophobicContact CD1-CB 4.31Å; L475-F561 HydrophobicContact CD2-CB 4.16Å; L475-I562 HydrophobicContact CD2-CB 3.93Å; L475-I562 HydrophobicContact CD2-CG1 4.46Å
476T90.4Very high89.8Confident77 Ų7748.4 Ų48.447%0.47226%0.257SS..Hα-helixtrans-69-46.5178.450.70000111.3S472 L473 F478 A479 T480S472-T476 WeakPolarHBondContact O-CB 3.35Å; S472-T476 VanDerWaalsContact O-CG2 3.26Å; S472-T476 WeakPolarHBondContact O-CG2 3.39Å; S472-T476 PolarHBondContact O-N 2.79Å; S472-T476 PolarHBondContact O-OG1 3.4Å; L473-T476 WeakPolarHBondContact CA-OG1 3.4Å; L473-T476 PolarHBondContact O-N 3.47Å; L473-T476 PolarHBondContact O-OG1 3.19Å; T476-F478 PolarHBondContact O-N 3.38Å; T476-A479 PolarHBondContact O-N 3.05Å; T476-T480 WeakPolarHBondContact O-CB 3.04Å; T476-T480 VanDerWaalsContact O-CG2 3.29Å; T476-T480 WeakPolarHBondContact O-CG2 3.28Å; T476-T480 PolarHBondContact O-N 3.26Å; T476-T480 PolarHBondContact O-OG1 3.13Å
477M89.7Confident90Very high41 Ų4147.7 Ų47.720%0.20226%0.255CS..Hα-helixtrans-59.4-45.3175.3-72.4-178.975.600111.9A453 L457 L473 A479 T480 D481A453-M477 VanDerWaalsContact O-CE 3.23Å; A453-M477 WeakPolarHBondContact O-CE 3.14Å; L457-M477 HydrophobicContact CD1-SD 4.35Å; L457-M477 HydrophobicContact CD2-SD 3.92Å; L457-M477 HydrophobicContact CG-SD 3.91Å; L473-M477 HydrophobicContact CD1-CG 3.87Å; L473-M477 HydrophobicContact CD1-SD 3.9Å; L473-M477 HydrophobicContact CD2-SD 4.25Å; L473-M477 HydrophobicContact CG-CG 4.14Å; L473-M477 HydrophobicContact CG-SD 3.71Å; L473-M477 VanDerWaalsContact O-CB 3.26Å; L473-M477 WeakPolarHBondContact O-CB 3.24Å; L473-M477 VanDerWaalsContact O-CG 3.22Å; L473-M477 WeakPolarHBondContact O-CG 3.03Å; L473-M477 PolarHBondContact O-N 3.36Å; M477-A479 PolarHBondContact O-N 3.46Å; M477-T480 WeakPolarHBondContact CA-OG1 3.47Å; M477-T480 PolarHBondContact O-OG1 2.84Å; M477-D481 WeakPolarHBondContact O-CB 3.31Å; M477-D481 PolarHBondContact O-N 3.48Å
478F92.6Very high90.1Very high0 Ų048.6 Ų48.60%026%0.264CS..Hα-helixtrans-62.4-43.4177.6-175.1-90.4000112.1L474 T476 S482 Q547 Y550 L565 A566 C569L474-F478 VanDerWaalsContact O-CB 3.28Å; L474-F478 WeakPolarHBondContact O-CB 3.42Å; L474-F478 PolarHBondContact O-N 3.21Å; T476-F478 PolarHBondContact O-N 3.38Å; F478-S482 WeakPolarHBondContact O-CB 3.18Å; F478-S482 PolarHBondContact O-N 3.46Å; F478-S482 PolarHBondContact O-OG 2.89Å; F478-Q547 HydrophobicContact CE2-CB 3.9Å; F478-Q547 HydrophobicContact CE2-CG 3.61Å; F478-Q547 HydrophobicContact CZ-CB 4.46Å; F478-Q547 HydrophobicContact CZ-CG 3.85Å; F478-Y550 AromaticContact CD2-CD2 3.72Å; F478-Y550 HydrophobicContact CD2-CD2 3.72Å; F478-Y550 HydrophobicContact CD2-CE2 4.41Å; F478-Y550 HydrophobicContact CD2-CG 4.04Å; F478-Y550 HydrophobicContact CE2-CD2 4.33Å; F478-L565 HydrophobicContact CD1-CB 4.45Å; F478-L565 HydrophobicContact CD1-CD2 3.53Å; F478-L565 HydrophobicContact CD1-CG 3.67Å; F478-L565 HydrophobicContact CE1-CB 4.4Å; F478-L565 HydrophobicContact CE1-CD2 4.17Å; F478-L565 HydrophobicContact CE1-CG 3.77Å; F478-A566 HydrophobicContact CZ-CB 4.25Å; F478-C569 HydrophobicContact CE1-CB 4.1Å; F478-C569 HydrophobicContact CZ-CB 4.31Å
479A92Very high90.1Very high31 Ų3144.9 Ų44.926%0.25624%0.243SC..Hα-helixtrans-67.2-46.1179.100000112.2L475 T476 M477 D481 S482 I483 L565L475-A479 VanDerWaalsContact O-CB 3.27Å; L475-A479 WeakPolarHBondContact O-CB 3.33Å; L475-A479 PolarHBondContact O-N 3.33Å; T476-A479 PolarHBondContact O-N 3.05Å; M477-A479 PolarHBondContact O-N 3.46Å; A479-D481 VanDerWaalsContact C-N 3.34Å; A479-D481 PolarHBondContact O-N 3.29Å; A479-S482 PolarHBondContact O-N 3.31Å; A479-I483 WeakPolarHBondContact O-CG1 3.35Å; A479-I483 PolarHBondContact O-N 2.81Å; A479-L565 HydrophobicContact CB-CD2 4.15Å
480T89.5Confident90Very high88 Ų8843.9 Ų43.954%0.5424%0.235SC..Hα-helixtrans-64.1-41.1178.8540000111T476 M477 I483 R484T476-T480 WeakPolarHBondContact O-CB 3.04Å; T476-T480 VanDerWaalsContact O-CG2 3.29Å; T476-T480 WeakPolarHBondContact O-CG2 3.28Å; T476-T480 PolarHBondContact O-N 3.26Å; T476-T480 PolarHBondContact O-OG1 3.13Å; M477-T480 WeakPolarHBondContact CA-OG1 3.47Å; M477-T480 PolarHBondContact O-OG1 2.84Å; T480-I483 PolarHBondContact O-N 3.5Å; T480-R484 WeakPolarHBondContact O-CB 3.21Å; T480-R484 PolarHBondContact O-N 3.27Å
481D89.4Confident90Very high20 Ų2047.6 Ų47.611%0.10725%0.254CS..Hα-helixtrans-65-41.7177.9-164.929000111.3M477 A479 I483 R484 R485M477-D481 WeakPolarHBondContact O-CB 3.31Å; M477-D481 PolarHBondContact O-N 3.48Å; A479-D481 VanDerWaalsContact C-N 3.34Å; A479-D481 PolarHBondContact O-N 3.29Å; D481-I483 PolarHBondContact O-N 2.94Å; D481-R484 PolarHBondContact O-N 3.47Å; D481-R484 IonicContact OD1-CZ 3.89Å; D481-R484 VanDerWaalsContact OD1-CZ 3.28Å; D481-R484 IonicContact OD1-NE 3.33Å; D481-R484 PolarHBondContact OD1-NE 3.04Å; D481-R484 IonicContact OD1-NH2 3.32Å; D481-R484 PolarHBondContact OD1-NH2 3.42Å; D481-R485 VanDerWaalsContact C-NH1 3.28Å; D481-R485 VanDerWaalsContact O-CG 3.31Å; D481-R485 WeakPolarHBondContact O-CG 3.48Å; D481-R485 PolarHBondContact O-N 2.99Å; D481-R485 PolarHBondContact O-NH1 3.38Å; D481-R485 IonicContact OD1-NH1 2.77Å; D481-R485 PolarHBondContact OD1-NH1 3.21Å; D481-R485 IonicContact OD2-CZ 3.13Å; D481-R485 IonicContact OD2-NH1 2.73Å; D481-R485 PolarHBondContact OD2-NH1 3.28Å
482S91.2Very high90Very high14 Ų1446.9 Ų46.910%0.09826%0.255CS..Hα-helixtrans-61.1-41.3174.1-56.70000112.9F478 A479 R485 L486 C569F478-S482 WeakPolarHBondContact O-CB 3.18Å; F478-S482 PolarHBondContact O-N 3.46Å; F478-S482 PolarHBondContact O-OG 2.89Å; A479-S482 PolarHBondContact O-N 3.31Å; S482-R485 PolarHBondContact OG-NH2 3.28Å; S482-L486 PolarHBondContact O-N 3.27Å; S482-C569 PolarHBondContact OG-SG 3.35Å
483I90.9Very high90Very high107 Ų10744.7 Ų44.755%0.54924%0.239SC..Hα-helixtrans-70.1-43.2177.4-67.5165.9000111.2A479 T480 D481 R485 L486 T487A479-I483 WeakPolarHBondContact O-CG1 3.35Å; A479-I483 PolarHBondContact O-N 2.81Å; T480-I483 PolarHBondContact O-N 3.5Å; D481-I483 PolarHBondContact O-N 2.94Å; I483-R485 VanDerWaalsContact C-N 3.3Å; I483-R485 PolarHBondContact O-N 3Å; I483-L486 PolarHBondContact O-N 3.02Å; I483-T487 PolarHBondContact O-N 3.04Å; I483-T487 PolarHBondContact O-OG1 2.84Å
484R88.6Confident90.1Very high115 Ų11546.7 Ų46.743%0.43425%0.245SC..Hα-helixtrans-57.9-44.3178.9-178.6-164.665.880.3-1.1110.5T480 D481 T487 L488T480-R484 WeakPolarHBondContact O-CB 3.21Å; T480-R484 PolarHBondContact O-N 3.27Å; D481-R484 PolarHBondContact O-N 3.47Å; D481-R484 IonicContact OD1-CZ 3.89Å; D481-R484 VanDerWaalsContact OD1-CZ 3.28Å; D481-R484 IonicContact OD1-NE 3.33Å; D481-R484 PolarHBondContact OD1-NE 3.04Å; D481-R484 IonicContact OD1-NH2 3.32Å; D481-R484 PolarHBondContact OD1-NH2 3.42Å; R484-T487 WeakPolarHBondContact O-CB 3.39Å; R484-T487 PolarHBondContact O-N 3.46Å; R484-L488 HydrophobicContact CG-CD1 3.75Å; R484-L488 VanDerWaalsContact NH1-CD1 3.3Å; R484-L488 WeakPolarHBondContact O-CB 2.97Å; R484-L488 WeakPolarHBondContact O-CG 3.38Å; R484-L488 PolarHBondContact O-N 2.87Å
485R86.9Confident90Very high7 Ų751.5 Ų51.53%0.02627%0.269CS..Hα-helixtrans-66.4-49.6178.9-71.1-175.2-49.8-105.114.1113.2D481 S482 I483 T487 L488 E489 E543D481-R485 VanDerWaalsContact C-NH1 3.28Å; D481-R485 VanDerWaalsContact O-CG 3.31Å; D481-R485 WeakPolarHBondContact O-CG 3.48Å; D481-R485 PolarHBondContact O-N 2.99Å; D481-R485 PolarHBondContact O-NH1 3.38Å; D481-R485 IonicContact OD1-NH1 2.77Å; D481-R485 PolarHBondContact OD1-NH1 3.21Å; D481-R485 IonicContact OD2-CZ 3.13Å; D481-R485 IonicContact OD2-NH1 2.73Å; D481-R485 PolarHBondContact OD2-NH1 3.28Å; S482-R485 PolarHBondContact OG-NH2 3.28Å; I483-R485 VanDerWaalsContact C-N 3.3Å; I483-R485 PolarHBondContact O-N 3Å; R485-T487 PolarHBondContact O-N 2.97Å; R485-L488 PolarHBondContact O-N 3.03Å; R485-L488 VanDerWaalsContact O-N 3.08Å; R485-E489 WeakPolarHBondContact O-CB 3.35Å; R485-E489 WeakPolarHBondContact O-CG 3.43Å; R485-E489 PolarHBondContact O-N 3.13Å; R485-E543 VanDerWaalsContact CD-CD 3.46Å; R485-E543 VanDerWaalsContact CD-CG 3.49Å; R485-E543 IonicContact CZ-OE1 2.74Å; R485-E543 IonicContact NE-OE1 3.76Å; R485-E543 PolarHBondContact NE-OE1 3.13Å; R485-E543 IonicContact NE-OE2 3.01Å; R485-E543 IonicContact NH2-OE1 3.6Å; R485-E543 PolarHBondContact NH2-OE1 3.33Å
486L88.9Confident89.9Confident44 Ų4452.7 Ų52.723%0.2328%0.275CS..Iπ-helixtrans-49.3-40.6172173.360.3000111.6S482 I483 C490 I491 F576S482-L486 PolarHBondContact O-N 3.27Å; I483-L486 PolarHBondContact O-N 3.02Å; L486-C490 HydrophobicContact CD1-CB 4.22Å; L486-C490 WeakPolarHBondContact O-CB 3.49Å; L486-C490 PolarHBondContact O-N 2.79Å; L486-I491 HydrophobicContact CG-CD1 4.29Å; L486-I491 PolarHBondContact O-N 3.5Å; L486-F576 HydrophobicContact CD1-CB 4.34Å; L486-F576 HydrophobicContact CD1-CD1 3.61Å; L486-F576 HydrophobicContact CD1-CD2 3.51Å; L486-F576 HydrophobicContact CD1-CE1 3.67Å; L486-F576 HydrophobicContact CD1-CE2 3.55Å; L486-F576 HydrophobicContact CD1-CG 3.55Å; L486-F576 HydrophobicContact CD1-CZ 3.64Å; L486-F576 HydrophobicContact CD2-CE2 4.1Å; L486-F576 HydrophobicContact CD2-CZ 4.22Å; L486-F576 HydrophobicContact CG-CE2 4.47Å
487T89.9Confident89.8Confident51 Ų5150.9 Ų50.931%0.31326%0.26SS..Iπ-helixtrans-70.3-49.6179.6-530000112.4I483 R484 R485 I491 I492I483-T487 PolarHBondContact O-N 3.04Å; I483-T487 PolarHBondContact O-OG1 2.84Å; R484-T487 WeakPolarHBondContact O-CB 3.39Å; R484-T487 PolarHBondContact O-N 3.46Å; R485-T487 PolarHBondContact O-N 2.97Å; T487-I491 PolarHBondContact O-N 3.5Å; T487-I492 HydrophobicContact CG2-CD1 3.95Å; T487-I492 HydrophobicContact CG2-CG1 4.3Å; T487-I492 WeakPolarHBondContact O-CB 3.28Å; T487-I492 WeakPolarHBondContact O-CG1 3.12Å; T487-I492 PolarHBondContact O-N 2.99Å
488L88.3Confident89.7Confident68 Ų6856 Ų5636%0.35628%0.277SS..Iπ-helixtrans-76.5-28.4-174.7-72.4170.6000114R484 R485 I492 P493R484-L488 HydrophobicContact CG-CD1 3.75Å; R484-L488 VanDerWaalsContact NH1-CD1 3.3Å; R484-L488 WeakPolarHBondContact O-CB 2.97Å; R484-L488 WeakPolarHBondContact O-CG 3.38Å; R484-L488 PolarHBondContact O-N 2.87Å; R485-L488 PolarHBondContact O-N 3.03Å; R485-L488 VanDerWaalsContact O-N 3.08Å; L488-I492 HydrophobicContact CD2-CD1 3.72Å; L488-P493 WeakPolarHBondContact O-CD 3.32Å; L488-P493 WeakPolarHBondContact O-CG 3.22Å
489E87.1Confident89.6Confident31 Ų3162 Ų6215%0.14530%0.303CS..Iπ-helixtrans-98.6-32.8-173.8-63.5-176.1-157.700113.1R485 P493 K580R485-E489 WeakPolarHBondContact O-CB 3.35Å; R485-E489 WeakPolarHBondContact O-CG 3.43Å; R485-E489 PolarHBondContact O-N 3.13Å; E489-P493 WeakPolarHBondContact O-CG 3.29Å; E489-K580 HydrophobicContact CB-CD 4.14Å; E489-K580 IonicContact OE2-NZ 3.79Å; E489-K580 PolarHBondContact OE2-NZ 2.9Å
490C86.4Confident89.3Confident5 Ų565.5 Ų65.53%0.03431%0.31CS..Iπ-helixtrans-109.2-58.5-178.3-72.50000112.1L486 Y494L486-C490 HydrophobicContact CD1-CB 4.22Å; L486-C490 WeakPolarHBondContact O-CB 3.49Å; L486-C490 PolarHBondContact O-N 2.79Å; C490-Y494 WeakPolarHBondContact O-CB 3.44Å; C490-Y494 PolarHBondContact O-N 3.13Å
491I90.8Very high88.9Confident79 Ų7962 Ų6241%0.40529%0.289SS..Iπ-helixtrans-67.9-52.1-168.7-60.2176.1000111.2L486 T487 Y494 I495L486-I491 HydrophobicContact CG-CD1 4.29Å; L486-I491 PolarHBondContact O-N 3.5Å; T487-I491 PolarHBondContact O-N 3.5Å; I491-Y494 PolarHBondContact O-N 3.36Å; I491-I495 HydrophobicContact CG2-CD1 3.75Å; I491-I495 VanDerWaalsContact O-CG1 3.28Å; I491-I495 WeakPolarHBondContact O-CG1 3.3Å; I491-I495 PolarHBondContact O-N 2.99Å
492I91.6Very high88.7Confident65 Ų6568.4 Ų68.433%0.33331%0.312SS..Hα-helixtrans-63.8-51.9-177.7-74.7165.2000111.4T487 L488 Y494 I495 I496T487-I492 HydrophobicContact CG2-CD1 3.95Å; T487-I492 HydrophobicContact CG2-CG1 4.3Å; T487-I492 WeakPolarHBondContact O-CB 3.28Å; T487-I492 WeakPolarHBondContact O-CG1 3.12Å; T487-I492 PolarHBondContact O-N 2.99Å; L488-I492 HydrophobicContact CD2-CD1 3.72Å; I492-Y494 VanDerWaalsContact C-N 3.28Å; I492-Y494 PolarHBondContact O-N 2.82Å; I492-I495 PolarHBondContact O-N 2.92Å; I492-I495 VanDerWaalsContact O-N 3.13Å; I492-I496 HydrophobicContact CG2-CD1 3.6Å; I492-I496 HydrophobicContact CG2-CG1 4.31Å; I492-I496 WeakPolarHBondContact O-CG1 3.26Å; I492-I496 PolarHBondContact O-N 3.46Å
493P90Very high88.2Confident19 Ų1974 Ų7412%0.12334%0.335CS..Hα-helixtrans-64.3-33.3179.7-25.738.7000112.1L488 E489 I496 Y497 V584L488-P493 WeakPolarHBondContact O-CD 3.32Å; L488-P493 WeakPolarHBondContact O-CG 3.22Å; E489-P493 WeakPolarHBondContact O-CG 3.29Å; P493-I496 PolarHBondContact O-N 3.21Å; P493-Y497 WeakPolarHBondContact O-CB 3.49Å; P493-Y497 PolarHBondContact O-N 2.82Å; P493-V584 HydrophobicContact CB-CG1 3.49Å; P493-V584 VanDerWaalsContact CB-CG1 3.49Å
494Y90.9Very high87.5Confident84 Ų8470.1 Ų70.133%0.32931%0.314SS..Hα-helixtrans-62.5-46172179.5-101000112.1C490 I491 I492 Y497 R498 F579 V584C490-Y494 WeakPolarHBondContact O-CB 3.44Å; C490-Y494 PolarHBondContact O-N 3.13Å; I491-Y494 PolarHBondContact O-N 3.36Å; I492-Y494 VanDerWaalsContact C-N 3.28Å; I492-Y494 PolarHBondContact O-N 2.82Å; Y494-Y497 PolarHBondContact O-N 3.27Å; Y494-R498 HydrophobicContact CD1-CG 4.18Å; Y494-R498 HydrophobicContact CD2-CG 4.35Å; Y494-R498 HydrophobicContact CE1-CG 3.84Å; Y494-R498 HydrophobicContact CE2-CG 4.04Å; Y494-R498 HydrophobicContact CG-CG 4.43Å; Y494-R498 WeakPolarHBondContact O-CB 3.49Å; Y494-R498 WeakPolarHBondContact O-CG 3.41Å; Y494-R498 PolarHBondContact O-N 3.32Å; Y494-F579 HydrophobicContact CD2-CE1 4.07Å; Y494-F579 AromaticContact CD2-CZ 3.94Å; Y494-F579 HydrophobicContact CD2-CZ 3.94Å; Y494-F579 AromaticContact CE2-CZ 3.93Å; Y494-F579 HydrophobicContact CE2-CZ 3.93Å; Y494-V584 HydrophobicContact CD2-CG2 4.16Å
495I92.5Very high87Confident101 Ų10171.6 Ų71.652%0.51832%0.324SS..Hα-helixtrans-63-46.5177.5-68.2163.8000110.4I491 I492 Y497 R498 F499I491-I495 HydrophobicContact CG2-CD1 3.75Å; I491-I495 VanDerWaalsContact O-CG1 3.28Å; I491-I495 WeakPolarHBondContact O-CG1 3.3Å; I491-I495 PolarHBondContact O-N 2.99Å; I492-I495 PolarHBondContact O-N 2.92Å; I492-I495 VanDerWaalsContact O-N 3.13Å; I495-Y497 PolarHBondContact O-N 3.38Å; I495-R498 PolarHBondContact O-N 3.34Å; I495-F499 WeakPolarHBondContact O-CB 3.41Å; I495-F499 PolarHBondContact O-N 3.3Å
496I89.8Confident86.7Confident60 Ų6076.2 Ų76.231%0.30835%0.346SS..Hα-helixtrans-59.9-47177.7-68.8171.8000110.5I492 P493 R498 F499 R500I492-I496 HydrophobicContact CG2-CD1 3.6Å; I492-I496 HydrophobicContact CG2-CG1 4.31Å; I492-I496 WeakPolarHBondContact O-CG1 3.26Å; I492-I496 PolarHBondContact O-N 3.46Å; P493-I496 PolarHBondContact O-N 3.21Å; I496-R498 PolarHBondContact O-N 3.42Å; I496-F499 PolarHBondContact O-N 3.46Å; I496-R500 HydrophobicContact CG2-CG 4.3Å; I496-R500 VanDerWaalsContact CG2-CZ 3.45Å; I496-R500 WeakPolarHBondContact O-CB 3.43Å; I496-R500 WeakPolarHBondContact O-CG 3.32Å; I496-R500 PolarHBondContact O-N 3.25Å
497Y88.3Confident85.9Confident38 Ų3875.6 Ų75.615%0.14935%0.345CS..Hα-helixtrans-58.2-48.3176.7169.3-105.9000111.5P493 Y494 I495 F499 R500 A501 R528 A532P493-Y497 WeakPolarHBondContact O-CB 3.49Å; P493-Y497 PolarHBondContact O-N 2.82Å; Y494-Y497 PolarHBondContact O-N 3.27Å; I495-Y497 PolarHBondContact O-N 3.38Å; Y497-F499 VanDerWaalsContact C-N 3.3Å; Y497-F499 PolarHBondContact O-N 3.42Å; Y497-R500 PolarHBondContact O-N 3.24Å; Y497-A501 VanDerWaalsContact O-CB 3.22Å; Y497-A501 WeakPolarHBondContact O-CB 3.4Å; Y497-A501 PolarHBondContact O-N 2.9Å; Y497-R528 HydrophobicContact CE2-CG 4.45Å; Y497-R528 WeakPolarHBondContact CE2-O 3.42Å; Y497-R528 WeakPolarHBondContact OH-CG 3.34Å; Y497-A532 HydrophobicContact CD2-CB 4.03Å; Y497-A532 HydrophobicContact CE2-CB 4.13Å
498R89.5Confident85Confident149 Ų14974.1 Ų74.156%0.56234%0.335SS*.Hα-helixtrans-62.4-39.8179.1-69.8-72.9-74-169.9-7111.5Y494 I495 I496 W502Y494-R498 HydrophobicContact CD1-CG 4.18Å; Y494-R498 HydrophobicContact CD2-CG 4.35Å; Y494-R498 HydrophobicContact CE1-CG 3.84Å; Y494-R498 HydrophobicContact CE2-CG 4.04Å; Y494-R498 HydrophobicContact CG-CG 4.43Å; Y494-R498 WeakPolarHBondContact O-CB 3.49Å; Y494-R498 WeakPolarHBondContact O-CG 3.41Å; Y494-R498 PolarHBondContact O-N 3.32Å; I495-R498 PolarHBondContact O-N 3.34Å; I496-R498 PolarHBondContact O-N 3.42Å; R498-W502 VanDerWaalsContact O-CB 3.26Å; R498-W502 WeakPolarHBondContact O-CB 3.44Å; R498-W502 PolarHBondContact O-N 3.04Å
499F88.8Confident84.2Confident125 Ų12573 Ų7355%0.54834%0.34SS..Hα-helixtrans-65.7-49.1176-177.8-100.1000112I495 I496 Y497 A501 W502 K503I495-F499 WeakPolarHBondContact O-CB 3.41Å; I495-F499 PolarHBondContact O-N 3.3Å; I496-F499 PolarHBondContact O-N 3.46Å; Y497-F499 VanDerWaalsContact C-N 3.3Å; Y497-F499 PolarHBondContact O-N 3.42Å; F499-A501 PolarHBondContact O-N 3.43Å; F499-W502 HydrophobicContact CD2-CE3 4.48Å; F499-W502 HydrophobicContact CE2-CE3 4.41Å; F499-W502 HydrophobicContact CE2-CZ3 4.34Å; F499-W502 PolarHBondContact O-N 2.88Å; F499-K503 PolarHBondContact O-N 3.49Å
500R85.6Confident83.6Confident106 Ų10676.2 Ų76.240%0.436%0.358SS..Hα-helixtrans-59.6-46.5176.5-72.1179-174.41646.7111.4I496 Y497 W502 K503 E504 C531 D533I496-R500 HydrophobicContact CG2-CG 4.3Å; I496-R500 VanDerWaalsContact CG2-CZ 3.45Å; I496-R500 WeakPolarHBondContact O-CB 3.43Å; I496-R500 WeakPolarHBondContact O-CG 3.32Å; I496-R500 PolarHBondContact O-N 3.25Å; Y497-R500 PolarHBondContact O-N 3.24Å; R500-W502 VanDerWaalsContact C-N 3.31Å; R500-W502 PolarHBondContact O-N 3.33Å; R500-K503 PolarHBondContact O-N 2.98Å; R500-E504 WeakPolarHBondContact O-CB 3.47Å; R500-E504 PolarHBondContact O-N 2.95Å; R500-C531 HydrophobicContact CB-CB 4.22Å; R500-C531 PolarHBondContact NH1-O 3.44Å; R500-D533 IonicContact CZ-OD1 3.74Å; R500-D533 IonicContact NH1-OD1 2.99Å; R500-D533 PolarHBondContact NH1-OD1 2.8Å; R500-D533 IonicContact NH2-OD1 3.82Å
501A82Confident82.8Confident13 Ų1377.7 Ų77.711%0.10737%0.365CS..Hα-helixtrans-65.1-33.5178.500000112.9Y497 F499 K505 R528Y497-A501 VanDerWaalsContact O-CB 3.22Å; Y497-A501 WeakPolarHBondContact O-CB 3.4Å; Y497-A501 PolarHBondContact O-N 2.9Å; F499-A501 PolarHBondContact O-N 3.43Å; A501-K505 WeakPolarHBondContact O-CB 3.43Å; A501-K505 PolarHBondContact O-N 3.17Å; A501-K505 VanDerWaalsContact O-N 3.08Å; A501-R528 HydrophobicContact CB-CG 4.26Å
502W84.9Confident81.7Confident155 Ų15580.2 Ų80.259%0.58737%0.373SS*.Hα-helixtrans-68.7-46.2174174.278.1000111.6R498 F499 R500 E504 K505 Q506R498-W502 VanDerWaalsContact O-CB 3.26Å; R498-W502 WeakPolarHBondContact O-CB 3.44Å; R498-W502 PolarHBondContact O-N 3.04Å; F499-W502 HydrophobicContact CD2-CE3 4.48Å; F499-W502 HydrophobicContact CE2-CE3 4.41Å; F499-W502 HydrophobicContact CE2-CZ3 4.34Å; F499-W502 PolarHBondContact O-N 2.88Å; R500-W502 VanDerWaalsContact C-N 3.31Å; R500-W502 PolarHBondContact O-N 3.33Å; W502-E504 VanDerWaalsContact C-N 3.33Å; W502-E504 PolarHBondContact O-N 2.93Å; W502-K505 PolarHBondContact O-N 3.34Å; W502-Q506 PolarHBondContact O-N 3.36Å; W502-Q506 VanDerWaalsContact O-N 3.13Å
503K81.9Confident80.7Confident133 Ų13387.1 Ų87.158%0.57840%0.395SS*.Hα-helixtrans-59.7-42.5176.1-172.5178.7179-179.40111.8F499 R500 Q506 S507F499-K503 PolarHBondContact O-N 3.49Å; R500-K503 PolarHBondContact O-N 2.98Å; K503-Q506 WeakPolarHBondContact O-CB 3.38Å; K503-Q506 PolarHBondContact O-N 3.27Å; K503-S507 PolarHBondContact O-N 3.44Å
504E75.7Confident79.6Confident25 Ų2592.4 Ų92.412%0.11742%0.422CS..Hα-helixtrans-67.6-37.5177.7-170.557-151.800112.5R500 W502 Q506 S507 I508R500-E504 WeakPolarHBondContact O-CB 3.47Å; R500-E504 PolarHBondContact O-N 2.95Å; W502-E504 VanDerWaalsContact C-N 3.33Å; W502-E504 PolarHBondContact O-N 2.93Å; E504-Q506 PolarHBondContact O-N 3.15Å; E504-S507 WeakPolarHBondContact CA-OG 3.27Å; E504-S507 PolarHBondContact O-N 2.91Å; E504-S507 PolarHBondContact O-OG 3.31Å; E504-S507 PolarHBondContact OE1-OG 3.24Å; E504-S507 PolarHBondContact OE2-OG 2.77Å; E504-I508 HydrophobicContact CG-CD1 3.98Å; E504-I508 VanDerWaalsContact O-CG1 3.31Å; E504-I508 WeakPolarHBondContact O-CG1 3.29Å; E504-I508 PolarHBondContact O-N 2.54Å
505K77.7Confident78.2Confident146 Ų14692.7 Ų92.764%0.63543%0.427SS*.Hα-helixtrans-61-35.5173.6-172.7-178176.3-171.30111.4A501 W502 G509A501-K505 WeakPolarHBondContact O-CB 3.43Å; A501-K505 PolarHBondContact O-N 3.17Å; A501-K505 VanDerWaalsContact O-N 3.08Å; W502-K505 PolarHBondContact O-N 3.34Å; K505-G509 PolarHBondContact O-N 3.42Å; K505-G509 VanDerWaalsContact O-N 3.07Å
506Q80.2Confident76.5Confident103 Ų10395 Ų9548%0.48144%0.44SS..Hα-helixtrans-70.5-44.1177.8-168.2179.815.100111.9W502 K503 E504 I508 G509 L510W502-Q506 PolarHBondContact O-N 3.36Å; W502-Q506 VanDerWaalsContact O-N 3.13Å; K503-Q506 WeakPolarHBondContact O-CB 3.38Å; K503-Q506 PolarHBondContact O-N 3.27Å; E504-Q506 PolarHBondContact O-N 3.15Å; Q506-I508 PolarHBondContact O-N 2.83Å; Q506-G509 PolarHBondContact O-N 3.35Å; Q506-L510 WeakPolarHBondContact O-CG 3.43Å; Q506-L510 PolarHBondContact O-N 2.89Å
507S72.9Confident74.8Confident32 Ų3295.6 Ų95.622%0.22445%0.446CS..Hα-helixtrans-60.8-45.7177.362.20000111.5K503 E504 G509 L510 I511K503-S507 PolarHBondContact O-N 3.44Å; E504-S507 WeakPolarHBondContact CA-OG 3.27Å; E504-S507 PolarHBondContact O-N 2.91Å; E504-S507 PolarHBondContact O-OG 3.31Å; E504-S507 PolarHBondContact OE1-OG 3.24Å; E504-S507 PolarHBondContact OE2-OG 2.77Å; S507-G509 VanDerWaalsContact C-N 3.34Å; S507-G509 PolarHBondContact O-N 3.46Å; S507-L510 PolarHBondContact O-N 3.34Å; S507-I511 WeakPolarHBondContact O-CG1 3.46Å; S507-I511 PolarHBondContact O-N 2.93Å
508I70.7Confident73.2Confident20 Ų20102 Ų10210%0.10348%0.478CS..Hα-helixtrans-63.2-40.7176.9-64.9167.3000111.2E504 Q506 L510 I511 K512 I524E504-I508 HydrophobicContact CG-CD1 3.98Å; E504-I508 VanDerWaalsContact O-CG1 3.31Å; E504-I508 WeakPolarHBondContact O-CG1 3.29Å; E504-I508 PolarHBondContact O-N 2.54Å; Q506-I508 PolarHBondContact O-N 2.83Å; I508-L510 VanDerWaalsContact C-N 3.3Å; I508-L510 PolarHBondContact O-N 3.39Å; I508-I511 PolarHBondContact O-N 3.16Å; I508-K512 WeakPolarHBondContact O-CB 3.29Å; I508-K512 PolarHBondContact O-N 3.49Å; I508-I524 HydrophobicContact CD1-CB 4.41Å; I508-I524 HydrophobicContact CD1-CG1 4.19Å; I508-I524 HydrophobicContact CD1-CG2 3.83Å; I508-I524 HydrophobicContact CG2-CD1 4Å; I508-I524 HydrophobicContact CG2-CG1 4.34Å
509G71.9Confident71.5Confident44 Ų4497.4 Ų97.445%0.45446%0.462SS..Hα-helixtrans-60.4-38.4176.400000113.1K505 Q506 S507 R513K505-G509 PolarHBondContact O-N 3.42Å; K505-G509 VanDerWaalsContact O-N 3.07Å; Q506-G509 PolarHBondContact O-N 3.35Å; S507-G509 VanDerWaalsContact C-N 3.34Å; S507-G509 PolarHBondContact O-N 3.46Å; G509-R513 PolarHBondContact O-N 3.06Å
510L74.4Confident69.9Low99 Ų9993.4 Ų93.452%0.51845%0.448SS..Hα-helixtrans-70.2-43.3176.1-68.1170.1000112.1Q506 S507 I508 R513 N514Q506-L510 WeakPolarHBondContact O-CG 3.43Å; Q506-L510 PolarHBondContact O-N 2.89Å; S507-L510 PolarHBondContact O-N 3.34Å; I508-L510 VanDerWaalsContact C-N 3.3Å; I508-L510 PolarHBondContact O-N 3.39Å; L510-R513 WeakPolarHBondContact O-CB 3.5Å; L510-R513 PolarHBondContact O-N 3.4Å; L510-N514 PolarHBondContact O-N 3.43Å; L510-N514 VanDerWaalsContact O-N 3.11Å
511I68.2Low68.5Low36 Ų3693.4 Ų93.419%0.18546%0.46CS..Hα-helixtrans-62.8-45.5177.5-66.8165.1000111.1S507 I508 R513 N514 Q515S507-I511 WeakPolarHBondContact O-CG1 3.46Å; S507-I511 PolarHBondContact O-N 2.93Å; I508-I511 PolarHBondContact O-N 3.16Å; I511-R513 PolarHBondContact O-N 2.88Å; I511-N514 PolarHBondContact O-N 3.07Å; I511-Q515 PolarHBondContact O-N 3.33Å
512K68.6Low67.3Low131 Ų13197.3 Ų97.357%0.5747%0.473SS*.Hα-helixtrans-57.5-35.6177.3-173.2176.2-179177.50111.8I508 N516I508-K512 WeakPolarHBondContact O-CB 3.29Å; I508-K512 PolarHBondContact O-N 3.49Å; K512-N516 PolarHBondContact O-N 2.8Å
513R69.9Low66.1Low210 Ų21091.2 Ų91.279%0.79245%0.451SS*.Hα-helixtrans-71-34.5176.6-172.1177.3-179.8158.20.9112.7G509 L510 I511G509-R513 PolarHBondContact O-N 3.06Å; L510-R513 WeakPolarHBondContact O-CB 3.5Å; L510-R513 PolarHBondContact O-N 3.4Å; I511-R513 PolarHBondContact O-N 2.88Å
514N67.1Low65Low131 Ų13187.3 Ų87.370%0.70144%0.435SS*.Hα-helixtrans-85.5-35.8-175.1-71.6-6.6000113.7L510 I511L510-N514 PolarHBondContact O-N 3.43Å; L510-N514 VanDerWaalsContact O-N 3.11Å; I511-N514 PolarHBondContact O-N 3.07Å
515Q61.4Low64.4Low90 Ų9090.3 Ų90.342%0.42145%0.446SS..Hα-helixtrans-111.50.1-169.1-65.3-175.4-28.200114.8N84 I511 T517N84-Q515 PolarHBondContact OD1-NE2 2.74Å; I511-Q515 PolarHBondContact O-N 3.33Å; Q515-T517 WeakPolarHBondContact CB-OG1 3.48Å; Q515-T517 PolarHBondContact O-N 2.83Å; Q515-T517 PolarHBondContact O-OG1 2.84Å; Q515-T517 VanDerWaalsContact O-OG1 3.09Å
516N56.2Low63.6Low150 Ų15083.6 Ų83.680%0.80242%0.417SS*.  trans46.421.1-174.4-81.7-9.8000114.5K512K512-N516 PolarHBondContact O-N 2.8Å
517T55.9Low62.9Low72 Ų7279 Ų7944%0.44240%0.396SS..  trans-86122.1-177.2-17.60000108.4Q515 K519Q515-T517 WeakPolarHBondContact CB-OG1 3.48Å; Q515-T517 PolarHBondContact O-N 2.83Å; Q515-T517 PolarHBondContact O-OG1 2.84Å; Q515-T517 VanDerWaalsContact O-OG1 3.09Å; T517-K519 VanDerWaalsContact C-N 3.26Å; T517-K519 PolarHBondContact O-N 3.26Å
518E54.3Low62.7Low173 Ų17383.2 Ų83.281%0.80841%0.406SS*.  trans-72.487.2163.8-70.4-165.5158.700108.5
519K53.1Low62.9Low51 Ų5183.3 Ų83.322%0.22241%0.407CS..  trans-55.6129.6162.4-79.5-164.7174.8-163.50107.7H88 T517 V521 I524 E527H88-K519 PolarHBondContact NE2-NZ 3.44Å; T517-K519 VanDerWaalsContact C-N 3.26Å; T517-K519 PolarHBondContact O-N 3.26Å; K519-V521 PolarHBondContact O-N 2.87Å; K519-I524 HydrophobicContact CB-CD1 4.22Å; K519-I524 HydrophobicContact CB-CG1 4.45Å; K519-E527 IonicContact NZ-OE1 3.54Å
520P56Low63.1Low41 Ų4182.2 Ų82.227%0.26639%0.39SS..  trans-67.9136.3178.827.6-33.8000110.2Y522 Q523P520-Y522 HydrophobicContact CB-CD1 3.56Å; P520-Y522 HydrophobicContact CB-CE1 3.14Å; P520-Y522 HydrophobicContact CB-CE2 4.35Å; P520-Y522 HydrophobicContact CB-CG 4.32Å; P520-Y522 HydrophobicContact CG-CD1 4.15Å; P520-Y522 HydrophobicContact CG-CD2 4.48Å; P520-Y522 HydrophobicContact CG-CE1 3.5Å; P520-Y522 HydrophobicContact CG-CE2 3.86Å; P520-Y522 WeakPolarHBondContact CG-OH 3.29Å; P520-Y522 PolarHBondContact O-N 3.3Å; P520-Q523 HydrophobicContact CG-CG 4.47Å; P520-Q523 PolarHBondContact O-N 3.41Å
521V56.5Low63.2Low107 Ų10778 Ų7865%0.64837%0.368SS*.Hα-helixtrans-51.8-20.4-175.3176.30000113.9K519K519-V521 PolarHBondContact O-N 2.87Å
522Y56.3Low63.9Low95 Ų9576.6 Ų76.637%0.37336%0.362SS..Hα-helixtrans-76.5-37.7179.362.7-103.4000114.1L94 P520 R525 V526L94-Y522 HydrophobicContact CD2-CD2 4.44Å; P520-Y522 HydrophobicContact CB-CD1 3.56Å; P520-Y522 HydrophobicContact CB-CE1 3.14Å; P520-Y522 HydrophobicContact CB-CE2 4.35Å; P520-Y522 HydrophobicContact CB-CG 4.32Å; P520-Y522 HydrophobicContact CG-CD1 4.15Å; P520-Y522 HydrophobicContact CG-CD2 4.48Å; P520-Y522 HydrophobicContact CG-CE1 3.5Å; P520-Y522 HydrophobicContact CG-CE2 3.86Å; P520-Y522 WeakPolarHBondContact CG-OH 3.29Å; P520-Y522 PolarHBondContact O-N 3.3Å; Y522-R525 WeakPolarHBondContact O-CB 3.28Å; Y522-R525 PolarHBondContact O-N 3.47Å; Y522-V526 PolarHBondContact O-N 3.22Å
523Q59.3Low64.6Low27 Ų2772.8 Ų72.813%0.12635%0.348CS..Hα-helixtrans-64.7-47.8179.5-88.5169.5-15.300110.8C71 P520 R525 V526 E527C71-Q523 PolarHBondContact O-NE2 2.92Å; P520-Q523 HydrophobicContact CG-CG 4.47Å; P520-Q523 PolarHBondContact O-N 3.41Å; Q523-R525 PolarHBondContact O-N 3.12Å; Q523-V526 PolarHBondContact O-N 3.27Å; Q523-V526 VanDerWaalsContact O-N 3.07Å; Q523-E527 WeakPolarHBondContact O-CG 3.27Å; Q523-E527 PolarHBondContact O-N 2.9Å
524I59.3Low65.2Low50 Ų5067.1 Ų67.126%0.25633%0.333SS..Hα-helixtrans-53.7-32.4175.1-59.5171.9000111.9I508 K519 R528I508-I524 HydrophobicContact CD1-CB 4.41Å; I508-I524 HydrophobicContact CD1-CG1 4.19Å; I508-I524 HydrophobicContact CD1-CG2 3.83Å; I508-I524 HydrophobicContact CG2-CD1 4Å; I508-I524 HydrophobicContact CG2-CG1 4.34Å; K519-I524 HydrophobicContact CB-CD1 4.22Å; K519-I524 HydrophobicContact CB-CG1 4.45Å; I524-R528 PolarHBondContact O-N 3.37Å
525R61.8Low66.1Low89 Ų8962 Ų6234%0.33630%0.304SS..Hα-helixtrans-73.8-44.9-179.4-172.5-177.4-59178.94.7112Y522 Q523 E527 R528 E529Y522-R525 WeakPolarHBondContact O-CB 3.28Å; Y522-R525 PolarHBondContact O-N 3.47Å; Q523-R525 PolarHBondContact O-N 3.12Å; R525-E527 VanDerWaalsContact C-N 3.31Å; R525-R528 PolarHBondContact O-N 2.89Å; R525-E529 PolarHBondContact O-N 3.48Å
526V61.3Low67.1Low4 Ų461.4 Ų61.42%0.02430%0.301CS..Hα-helixtrans-66.2-39.3179179.20000109.9F92 L94 Y522 Q523 R528 E529 L530F92-V526 HydrophobicContact CD2-CG1 4.22Å; F92-V526 HydrophobicContact CE2-CB 4.17Å; F92-V526 HydrophobicContact CE2-CG1 3.54Å; F92-V526 HydrophobicContact CZ-CB 4.13Å; F92-V526 HydrophobicContact CZ-CG1 3.8Å; L94-V526 HydrophobicContact CD1-CG1 4.45Å; L94-V526 HydrophobicContact CD1-CG2 4.06Å; Y522-V526 PolarHBondContact O-N 3.22Å; Q523-V526 PolarHBondContact O-N 3.27Å; Q523-V526 VanDerWaalsContact O-N 3.07Å; V526-R528 VanDerWaalsContact C-N 3.3Å; V526-R528 PolarHBondContact O-N 3.42Å; V526-E529 PolarHBondContact O-N 2.94Å; V526-E529 VanDerWaalsContact O-N 3.07Å; V526-L530 HydrophobicContact CG1-CD1 3.96Å; V526-L530 WeakPolarHBondContact O-CG 3.49Å; V526-L530 PolarHBondContact O-N 2.94Å
527E66.1Low68.3Low8 Ų856.1 Ų56.14%0.03728%0.276CS..Hα-helixtrans-56.8-41.9173.3-71.4163.6-166.300112.3H88 F92 K519 Q523 R525 E529 L530 C531H88-E527 IonicContact CD2-OE1 3.41Å; H88-E527 PolarHBondContact CD2-OE1 2.91Å; H88-E527 IonicContact CE1-OE1 2.8Å; H88-E527 IonicContact NE2-OE1 2.77Å; H88-E527 PolarHBondContact NE2-OE1 3.32Å; H88-E527 VanDerWaalsContact NE2-OE1 3.13Å; F92-E527 HydrophobicContact CE1-CG 3.97Å; F92-E527 HydrophobicContact CZ-CG 4.18Å; K519-E527 IonicContact NZ-OE1 3.54Å; Q523-E527 WeakPolarHBondContact O-CG 3.27Å; Q523-E527 PolarHBondContact O-N 2.9Å; R525-E527 VanDerWaalsContact C-N 3.31Å; E527-E529 VanDerWaalsContact C-N 3.31Å; E527-E529 PolarHBondContact O-N 3.11Å; E527-L530 PolarHBondContact O-N 3.39Å; E527-C531 PolarHBondContact O-N 3.39Å; E527-C531 PolarHBondContact O-SG 3.08Å
528R68.6Low69.7Low120 Ų12053.4 Ų53.445%0.45326%0.258SS..Hα-helixtrans-64.9-35176.5-172.4-177.8-72.1177-0.9112.5Y497 A501 I524 R525 V526 C531Y497-R528 HydrophobicContact CE2-CG 4.45Å; Y497-R528 WeakPolarHBondContact CE2-O 3.42Å; Y497-R528 WeakPolarHBondContact OH-CG 3.34Å; A501-R528 HydrophobicContact CB-CG 4.26Å; I524-R528 PolarHBondContact O-N 3.37Å; R525-R528 PolarHBondContact O-N 2.89Å; V526-R528 VanDerWaalsContact C-N 3.3Å; V526-R528 PolarHBondContact O-N 3.42Å; R528-C531 WeakPolarHBondContact O-CB 3.26Å; R528-C531 PolarHBondContact O-N 3.33Å
529E75.3Confident71.1Confident22 Ų2248 Ų4810%0.10323%0.234CC..Hα-helixtrans-72.7-36176.8-69.2-179.5-176.600111.3S179 H180 R185 R525 V526 E527 C531 A532 Q586S179-E529 WeakPolarHBondContact CA-OE2 3.32Å; S179-E529 WeakPolarHBondContact CB-OE2 3.49Å; S179-E529 PolarHBondContact OG-OE2 3.4Å; H180-E529 PolarHBondContact N-OE2 3.36Å; R185-E529 IonicContact NH2-OE1 3.91Å; R185-E529 PolarHBondContact NH2-OE1 3.35Å; R525-E529 PolarHBondContact O-N 3.48Å; V526-E529 PolarHBondContact O-N 2.94Å; V526-E529 VanDerWaalsContact O-N 3.07Å; E527-E529 VanDerWaalsContact C-N 3.31Å; E527-E529 PolarHBondContact O-N 3.11Å; E529-C531 PolarHBondContact O-N 2.92Å; E529-A532 WeakPolarHBondContact O-CB 3.41Å; E529-A532 PolarHBondContact O-N 3.07Å; E529-A532 VanDerWaalsContact O-N 3.09Å; E529-Q586 WeakPolarHBondContact O-CG 3.23Å
530L75.6Confident72.9Confident20 Ų2045.7 Ų45.711%0.10523%0.225CC..Hα-helixtrans-65-21.8173.6-75.2157.8000113.9T11 F92 V526 E527 A532 Q586T11-L530 HydrophobicContact CG2-CD2 3.5Å; T11-L530 VanDerWaalsContact CG2-CD2 3.5Å; F92-L530 HydrophobicContact CB-CD1 4.47Å; F92-L530 HydrophobicContact CD1-CD1 3.29Å; F92-L530 HydrophobicContact CD2-CD1 4.24Å; F92-L530 HydrophobicContact CE1-CD1 3.39Å; F92-L530 HydrophobicContact CE2-CD1 4.32Å; F92-L530 HydrophobicContact CG-CD1 3.75Å; F92-L530 HydrophobicContact CZ-CD1 3.92Å; V526-L530 HydrophobicContact CG1-CD1 3.96Å; V526-L530 WeakPolarHBondContact O-CG 3.49Å; V526-L530 PolarHBondContact O-N 2.94Å; E527-L530 PolarHBondContact O-N 3.39Å; L530-A532 PolarHBondContact O-N 3.14Å; L530-Q586 PolarHBondContact O-NE2 3.36Å
531C76.2Confident74.6Confident10 Ų1044.9 Ų44.97%0.06822%0.216CC..THydrogen-bonded Turntrans-71-19.7173.5-65.50000113.5R500 E527 R528 E529R500-C531 HydrophobicContact CB-CB 4.22Å; R500-C531 PolarHBondContact NH1-O 3.44Å; E527-C531 PolarHBondContact O-N 3.39Å; E527-C531 PolarHBondContact O-SG 3.08Å; R528-C531 WeakPolarHBondContact O-CB 3.26Å; R528-C531 PolarHBondContact O-N 3.33Å; E529-C531 PolarHBondContact O-N 2.92Å
532A82.9Confident76.3Confident7 Ų740.3 Ų40.36%0.05819%0.188CC..SBendtrans-71.3152.917800000110.8Y497 E529 L530 V584 Q586Y497-A532 HydrophobicContact CD2-CB 4.03Å; Y497-A532 HydrophobicContact CE2-CB 4.13Å; E529-A532 WeakPolarHBondContact O-CB 3.41Å; E529-A532 PolarHBondContact O-N 3.07Å; E529-A532 VanDerWaalsContact O-N 3.09Å; L530-A532 PolarHBondContact O-N 3.14Å; A532-V584 VanDerWaalsContact CB-O 3.29Å; A532-V584 WeakPolarHBondContact CB-O 3.26Å; A532-Q586 HydrophobicContact CB-CG 3.91Å; A532-Q586 WeakPolarHBondContact O-CG 3.26Å; A532-Q586 PolarHBondContact O-NE2 2.6Å
533D82.7Confident77.9Confident51 Ų5136 Ų3627%0.27317%0.172SC..BIsolated β-bridgetrans-75.1153.9178.6-66.4-34.9000111R500 T585 Q586R500-D533 IonicContact CZ-OD1 3.74Å; R500-D533 IonicContact NH1-OD1 2.99Å; R500-D533 PolarHBondContact NH1-OD1 2.8Å; R500-D533 IonicContact NH2-OD1 3.82Å; D533-T585 WeakPolarHBondContact O-CA 3.49Å; D533-Q586 PolarHBondContact O-N 3.48Å
534I84Confident79.5Confident91 Ų9134.7 Ų34.747%0.46717%0.166SC..PPolyproline II helixtrans-72.4129.9177.5-59.1170.7000107.4E536I534-E536 PolarHBondContact O-N 3.48Å
535Y86.2Confident81.2Confident23 Ų2332.4 Ų32.49%0.0915%0.154CC..PPolyproline II helixtrans-74.8121.6175.2176.1-102.6000110.6V213 D540 L581 T585 P588V213-Y535 HydrophobicContact CG2-CE1 3.79Å; Y535-D540 WeakPolarHBondContact CE2-OD2 3.39Å; Y535-D540 VanDerWaalsContact CZ-OD2 3.23Å; Y535-D540 PolarHBondContact OH-OD2 3.32Å; Y535-L581 HydrophobicContact CD1-CD2 4.2Å; Y535-L581 HydrophobicContact CD2-CD2 3.66Å; Y535-L581 HydrophobicContact CE1-CD2 4.09Å; Y535-L581 HydrophobicContact CE2-CD2 3.6Å; Y535-L581 HydrophobicContact CE2-CG 4.31Å; Y535-L581 HydrophobicContact CG-CD2 3.95Å; Y535-T585 HydrophobicContact CD2-CG2 4.26Å; Y535-P588 HydrophobicContact CD1-CB 3.64Å; Y535-P588 HydrophobicContact CD1-CG 3.4Å; Y535-P588 HydrophobicContact CE1-CB 4.24Å; Y535-P588 HydrophobicContact CE1-CG 3.95Å; Y535-P588 HydrophobicContact CG-CB 4.46Å; Y535-P588 HydrophobicContact CG-CG 3.88Å
536E80.6Confident82.7Confident78 Ų7828.7 Ų28.736%0.36414%0.141SC..  trans-103.7114.7169.1-67.4-173.2-157.500108.7R419 R445 I534 F538R419-E536 IonicContact NH2-OE1 3.45Å; R445-E536 IonicContact NH1-OE2 3.34Å; I534-E536 PolarHBondContact O-N 3.48Å; E536-F538 PolarHBondContact O-N 3.34Å
537S83.1Confident84.3Confident39 Ų3928.5 Ų28.527%0.27314%0.14SC..Hα-helixtrans-68.4-15.817857.50000113.4D539 Y541S537-D539 PolarHBondContact O-N 3.48Å; S537-Y541 WeakPolarHBondContact O-CD2 3.33Å; S537-Y541 PolarHBondContact O-N 2.99Å
538F83.6Confident85.7Confident16 Ų1628.2 Ų28.27%0.0714%0.138CC..Hα-helixtrans-59.2-47.5-175.4170.4-96.7000112.6I442 R445 E536 D540 Y541 L542 W600I442-F538 HydrophobicContact CB-CD2 4.34Å; I442-F538 HydrophobicContact CB-CE2 4Å; I442-F538 HydrophobicContact CD1-CD2 4.26Å; I442-F538 HydrophobicContact CG1-CD2 3.55Å; I442-F538 HydrophobicContact CG1-CE2 3.71Å; I442-F538 HydrophobicContact CG2-CD2 4.42Å; I442-F538 HydrophobicContact CG2-CE2 3.95Å; R445-F538 HydrophobicContact CB-CE1 4.21Å; R445-F538 HydrophobicContact CB-CE2 4.35Å; R445-F538 HydrophobicContact CB-CZ 3.57Å; R445-F538 HydrophobicContact CG-CZ 4.43Å; R445-F538 VanDerWaalsContact NE-CE1 3.3Å; R445-F538 VanDerWaalsContact NH1-CD1 3.31Å; E536-F538 PolarHBondContact O-N 3.34Å; F538-D540 PolarHBondContact O-N 3.38Å; F538-Y541 PolarHBondContact O-N 3.5Å; F538-L542 HydrophobicContact CE1-CB 4.12Å; F538-L542 HydrophobicContact CE1-CD2 3.5Å; F538-L542 HydrophobicContact CE1-CG 4.34Å; F538-L542 HydrophobicContact CE2-CB 4.46Å; F538-L542 HydrophobicContact CZ-CB 4.1Å; F538-L542 HydrophobicContact CZ-CD1 4.35Å; F538-L542 HydrophobicContact CZ-CD2 3.68Å; F538-L542 HydrophobicContact CZ-CG 4.25Å; F538-L542 VanDerWaalsContact O-CB 3.28Å; F538-L542 WeakPolarHBondContact O-CB 3.22Å; F538-L542 PolarHBondContact O-N 3.34Å; F538-W600 AromaticContact CD2-CH2 3.33Å; F538-W600 HydrophobicContact CD2-CH2 3.33Å; F538-W600 AromaticContact CD2-CZ2 3.7Å; F538-W600 HydrophobicContact CD2-CZ2 3.7Å; F538-W600 AromaticContact CE2-CH2 3.55Å; F538-W600 HydrophobicContact CE2-CH2 3.55Å; F538-W600 HydrophobicContact CE2-CZ2 4.3Å; F538-W600 HydrophobicContact CE2-CZ3 4.37Å; F538-W600 HydrophobicContact CG-CH2 4.22Å; F538-W600 WeakPolarHBondContact O-CH2 3.26Å
539D85.6Confident86.9Confident58 Ų5822.5 Ų22.531%0.3112%0.116SC..Hα-helixtrans-63.9-45.2-173.2-63.7-35.2000110.5R445 S537 Y541 L542 E543R445-D539 IonicContact NH2-OD1 3.04Å; R445-D539 PolarHBondContact NH2-OD1 2.93Å; S537-D539 PolarHBondContact O-N 3.48Å; D539-Y541 PolarHBondContact O-N 2.85Å; D539-L542 PolarHBondContact O-N 2.93Å; D539-E543 WeakPolarHBondContact O-CB 3.31Å; D539-E543 PolarHBondContact O-N 3.34Å
540D89.8Confident87.9Confident4 Ų421.8 Ų21.82%0.02111%0.113CC..Hα-helixtrans-57.3-44.3176.4-59.67.9000112.7Y216 Y535 F538 K580Y216-D540 HydrophobicContact CD2-CB 4.22Å; Y216-D540 HydrophobicContact CE1-CB 4.33Å; Y216-D540 HydrophobicContact CE2-CB 3.76Å; Y216-D540 WeakPolarHBondContact CE2-O 3.23Å; Y535-D540 WeakPolarHBondContact CE2-OD2 3.39Å; Y535-D540 VanDerWaalsContact CZ-OD2 3.23Å; Y535-D540 PolarHBondContact OH-OD2 3.32Å; F538-D540 PolarHBondContact O-N 3.38Å; D540-K580 IonicContact OD1-NZ 3.73Å; D540-K580 PolarHBondContact OD1-NZ 3.38Å; D540-K580 IonicContact OD2-NZ 3.45Å
541Y92.2Very high88.8Confident23 Ų2320.9 Ų20.99%0.0911%0.108CC..Hα-helixtrans-73.1-41.4178.5-81.8-72.9000112.4S212 F215 Y216 S537 F538 D539 E543 M544 V545 W600S212-Y541 PolarHBondContact O-OH 3.39Å; F215-Y541 WeakPolarHBondContact CB-OH 3.11Å; Y216-Y541 HydrophobicContact CD2-CD1 4.08Å; Y216-Y541 HydrophobicContact CD2-CE1 4.08Å; Y216-Y541 HydrophobicContact CD2-CG 4.36Å; Y216-Y541 PolarHBondContact N-OH 3.29Å; Y216-Y541 VanDerWaalsContact N-OH 3.07Å; S537-Y541 WeakPolarHBondContact O-CD2 3.33Å; S537-Y541 PolarHBondContact O-N 2.99Å; F538-Y541 PolarHBondContact O-N 3.5Å; D539-Y541 PolarHBondContact O-N 2.85Å; Y541-E543 VanDerWaalsContact C-N 3.26Å; Y541-E543 PolarHBondContact O-N 2.91Å; Y541-M544 PolarHBondContact O-N 3.45Å; Y541-V545 WeakPolarHBondContact O-CG2 3.23Å; Y541-V545 PolarHBondContact O-N 3.3Å; Y541-V545 VanDerWaalsContact O-N 3.15Å; Y541-W600 VanDerWaalsContact CB-CD2 3.42Å; Y541-W600 HydrophobicContact CD1-CB 4.33Å; Y541-W600 AromaticContact CD1-CD1 3.69Å; Y541-W600 HydrophobicContact CD1-CD2 4.19Å; Y541-W600 AromaticContact CD1-CG 3.82Å; Y541-W600 HydrophobicContact CD1-CG 3.82Å; Y541-W600 AromaticContact CD1-NE1 3.98Å; Y541-W600 AromaticContact CD2-CE2 3.91Å; Y541-W600 HydrophobicContact CD2-CZ2 4.25Å; Y541-W600 AromaticContact CD2-NE1 3.52Å; Y541-W600 HydrophobicContact CE1-CG 4.46Å; Y541-W600 AromaticContact CG-CD1 3.7Å; Y541-W600 AromaticContact CG-CD2 3.88Å; Y541-W600 HydrophobicContact CG-CD2 3.88Å; Y541-W600 AromaticContact CG-CE2 3.58Å; Y541-W600 AromaticContact CG-CG 3.95Å; Y541-W600 HydrophobicContact CG-CG 3.95Å; Y541-W600 HydrophobicContact CG-CZ2 4.06Å; Y541-W600 AromaticContact CG-NE1 3.48Å
542L91.7Very high89.7Confident11 Ų1120.4 Ų20.46%0.05811%0.105CC..Hα-helixtrans-57.2-45.4177.6172.365.4000110.1F446 E449 F538 D539 M544 V545 L546 W600F446-L542 HydrophobicContact CB-CD1 4.34Å; F446-L542 HydrophobicContact CD2-CD1 3.59Å; F446-L542 HydrophobicContact CE2-CD1 4.45Å; F446-L542 HydrophobicContact CG-CD1 4.47Å; E449-L542 HydrophobicContact CG-CD2 4.07Å; F538-L542 HydrophobicContact CE1-CB 4.12Å; F538-L542 HydrophobicContact CE1-CD2 3.5Å; F538-L542 HydrophobicContact CE1-CG 4.34Å; F538-L542 HydrophobicContact CE2-CB 4.46Å; F538-L542 HydrophobicContact CZ-CB 4.1Å; F538-L542 HydrophobicContact CZ-CD1 4.35Å; F538-L542 HydrophobicContact CZ-CD2 3.68Å; F538-L542 HydrophobicContact CZ-CG 4.25Å; F538-L542 VanDerWaalsContact O-CB 3.28Å; F538-L542 WeakPolarHBondContact O-CB 3.22Å; F538-L542 PolarHBondContact O-N 3.34Å; D539-L542 PolarHBondContact O-N 2.93Å; L542-M544 VanDerWaalsContact C-N 3.33Å; L542-M544 PolarHBondContact O-N 3.5Å; L542-V545 PolarHBondContact O-N 2.83Å; L542-L546 HydrophobicContact CD1-CD1 4.07Å; L542-L546 HydrophobicContact CD1-CG 4.07Å; L542-L546 HydrophobicContact CD2-CD1 4.46Å; L542-L546 HydrophobicContact CG-CD1 3.96Å; L542-L546 HydrophobicContact CG-CG 4.34Å; L542-L546 WeakPolarHBondContact O-CG 3.45Å; L542-L546 PolarHBondContact O-N 3.48Å; L542-W600 HydrophobicContact CB-CH2 4.12Å; L542-W600 HydrophobicContact CB-CZ3 4.14Å
543E90.2Very high90.3Very high5 Ų520.4 Ų20.42%0.02310%0.104CC..Hα-helixtrans-51-53.1176.6178-176.7177.700111.6R485 D539 Y541 V545 L546 Q547R485-E543 VanDerWaalsContact CD-CD 3.46Å; R485-E543 VanDerWaalsContact CD-CG 3.49Å; R485-E543 IonicContact CZ-OE1 2.74Å; R485-E543 IonicContact NE-OE1 3.76Å; R485-E543 PolarHBondContact NE-OE1 3.13Å; R485-E543 IonicContact NE-OE2 3.01Å; R485-E543 IonicContact NH2-OE1 3.6Å; R485-E543 PolarHBondContact NH2-OE1 3.33Å; D539-E543 WeakPolarHBondContact O-CB 3.31Å; D539-E543 PolarHBondContact O-N 3.34Å; Y541-E543 VanDerWaalsContact C-N 3.26Å; Y541-E543 PolarHBondContact O-N 2.91Å; E543-V545 VanDerWaalsContact C-N 3.29Å; E543-V545 PolarHBondContact O-N 2.79Å; E543-L546 PolarHBondContact O-N 3.17Å; E543-L546 VanDerWaalsContact O-N 3.15Å; E543-Q547 PolarHBondContact O-N 3Å
544M92.6Very high90.9Very high0 Ų018.2 Ų18.20%09%0.092CC..Hα-helixtrans-67.7-32.1-175.2-70.6-62.6109.200113Y216 M220 Y541 L542 H548 T570 E573Y216-M544 HydrophobicContact CE2-CG 4.04Å; M220-M544 HydrophobicContact CE-CE 3.95Å; M220-M544 HydrophobicContact CE-CG 4.19Å; M220-M544 HydrophobicContact CE-SD 3.56Å; M220-M544 VanDerWaalsContact CE-SD 3.56Å; M220-M544 HydrophobicContact SD-CE 4.31Å; M220-M544 HydrophobicContact SD-CG 3.36Å; M220-M544 WeakPolarHBondContact SD-CG 3.3Å; M220-M544 HydrophobicContact SD-SD 3.2Å; Y541-M544 PolarHBondContact O-N 3.45Å; L542-M544 VanDerWaalsContact C-N 3.33Å; L542-M544 PolarHBondContact O-N 3.5Å; M544-H548 WeakPolarHBondContact O-CB 3.08Å; M544-H548 PolarHBondContact O-N 2.91Å; M544-T570 HydrophobicContact SD-CG2 4.21Å; M544-E573 HydrophobicContact CE-CG 4.34Å
545V94.9Very high91.4Very high2 Ų214 Ų141%0.0127%0.071CC..Hα-helixtrans-70.2-39.1173.4176.90000110.7F446 Y541 L542 E543 H548 G549 W600 L603 L604 Q607F446-V545 HydrophobicContact CD2-CG1 4.35Å; F446-V545 HydrophobicContact CE2-CB 4.5Å; F446-V545 HydrophobicContact CE2-CG1 3.53Å; F446-V545 HydrophobicContact CZ-CG1 3.98Å; Y541-V545 WeakPolarHBondContact O-CG2 3.23Å; Y541-V545 PolarHBondContact O-N 3.3Å; Y541-V545 VanDerWaalsContact O-N 3.15Å; L542-V545 PolarHBondContact O-N 2.83Å; E543-V545 VanDerWaalsContact C-N 3.29Å; E543-V545 PolarHBondContact O-N 2.79Å; V545-H548 PolarHBondContact O-N 2.85Å; V545-G549 PolarHBondContact O-N 2.86Å; V545-W600 HydrophobicContact CG2-CE3 3.96Å; V545-L603 HydrophobicContact CG1-CB 3.92Å; V545-L604 HydrophobicContact CG2-CD2 4.11Å; V545-L604 HydrophobicContact CG2-CG 4.17Å; V545-Q607 PolarHBondContact O-NE2 2.8Å; V545-Q607 PolarHBondContact O-OE1 3.44Å
546L93.9Very high91.6Very high10 Ų1013.2 Ų13.25%0.0527%0.068CC..Hα-helixtrans-66.5-44.5175-70.6175.1000111.7F446 E449 A453 Y454 L542 E543 H548 G549 Y550F446-L546 HydrophobicContact CE2-CD2 4.19Å; E449-L546 HydrophobicContact CB-CD1 4.21Å; A453-L546 HydrophobicContact CB-CD2 4.3Å; Y454-L546 HydrophobicContact CE2-CD2 4.49Å; Y454-L546 VanDerWaalsContact OH-CA 3.25Å; Y454-L546 WeakPolarHBondContact OH-CA 3.36Å; Y454-L546 PolarHBondContact OH-O 3.08Å; L542-L546 HydrophobicContact CD1-CD1 4.07Å; L542-L546 HydrophobicContact CD1-CG 4.07Å; L542-L546 HydrophobicContact CD2-CD1 4.46Å; L542-L546 HydrophobicContact CG-CD1 3.96Å; L542-L546 HydrophobicContact CG-CG 4.34Å; L542-L546 WeakPolarHBondContact O-CG 3.45Å; L542-L546 PolarHBondContact O-N 3.48Å; E543-L546 PolarHBondContact O-N 3.17Å; E543-L546 VanDerWaalsContact O-N 3.15Å; L546-H548 VanDerWaalsContact C-N 3.31Å; L546-H548 PolarHBondContact O-N 3.07Å; L546-G549 PolarHBondContact O-N 2.8Å; L546-G549 VanDerWaalsContact O-N 3.1Å; L546-Y550 VanDerWaalsContact O-CD2 3.22Å; L546-Y550 WeakPolarHBondContact O-CD2 3.12Å; L546-Y550 PolarHBondContact O-N 2.98Å
547Q94Very high92Very high1 Ų19.5 Ų9.51%0.0055%0.05CC..Hα-helixtrans-55.6-47.3172.2166.1165-5.500111.4Y223 F478 E543 G549 Y550 L551 A566 T570Y223-Q547 HydrophobicContact CE1-CG 4.28Å; F478-Q547 HydrophobicContact CE2-CB 3.9Å; F478-Q547 HydrophobicContact CE2-CG 3.61Å; F478-Q547 HydrophobicContact CZ-CB 4.46Å; F478-Q547 HydrophobicContact CZ-CG 3.85Å; E543-Q547 PolarHBondContact O-N 3Å; Q547-G549 VanDerWaalsContact C-N 3.28Å; Q547-G549 PolarHBondContact O-N 3.35Å; Q547-Y550 PolarHBondContact O-N 3.03Å; Q547-L551 HydrophobicContact CG-CD1 4.14Å; Q547-L551 WeakPolarHBondContact O-CD1 3.4Å; Q547-L551 PolarHBondContact O-N 3.44Å; Q547-A566 PolarHBondContact NE2-O 3.5Å; Q547-A566 VanDerWaalsContact NE2-O 3.1Å; Q547-T570 PolarHBondContact NE2-OG1 2.88Å; Q547-T570 PolarHBondContact OE1-OG1 3.3Å
548H95.4Very high92.2Very high1 Ų17.7 Ų7.71%0.0054%0.038CC..Hα-helixtrans-56.2-43.6176.2-177.379.3000112Y223 W268 M544 V545 L546 L551 V552 L604Y223-H548 AromaticContact CE2-ND1 3.75Å; Y223-H548 WeakPolarHBondContact OH-CA 3.48Å; W268-H548 AromaticContact CZ3-CE1 3.86Å; M544-H548 WeakPolarHBondContact O-CB 3.08Å; M544-H548 PolarHBondContact O-N 2.91Å; V545-H548 PolarHBondContact O-N 2.85Å; L546-H548 VanDerWaalsContact C-N 3.31Å; L546-H548 PolarHBondContact O-N 3.07Å; H548-L551 PolarHBondContact O-N 2.97Å; H548-V552 WeakPolarHBondContact O-CG2 3.46Å; H548-V552 PolarHBondContact O-N 2.81Å; H548-L604 HydrophobicContact CB-CD2 3.75Å
549G95.6Very high92.2Very high0 Ų07.9 Ų7.90%04%0.041CC..Hα-helixtrans-62.7-42.1178.500000113.9Y454 V545 L546 Q547 L551 V552 L553Y454-G549 VanDerWaalsContact OH-CA 3.31Å; Y454-G549 WeakPolarHBondContact OH-CA 3.42Å; V545-G549 PolarHBondContact O-N 2.86Å; L546-G549 PolarHBondContact O-N 2.8Å; L546-G549 VanDerWaalsContact O-N 3.1Å; Q547-G549 VanDerWaalsContact C-N 3.28Å; Q547-G549 PolarHBondContact O-N 3.35Å; G549-L551 PolarHBondContact O-N 2.8Å; G549-V552 PolarHBondContact O-N 2.8Å; G549-L553 VanDerWaalsContact O-CB 3.29Å; G549-L553 WeakPolarHBondContact O-CB 3.42Å; G549-L553 WeakPolarHBondContact O-CG 3.49Å; G549-L553 PolarHBondContact O-N 2.76Å
550Y94.8Very high92.4Very high7 Ų75.7 Ų5.73%0.0273%0.029CC..Hα-helixtrans-56.9-35174.3-75.1-63000112.7A453 Y454 L457 L474 F478 L546 Q547A453-Y550 HydrophobicContact CB-CE1 4.48Å; A453-Y550 WeakPolarHBondContact CB-OH 3.48Å; Y454-Y550 HydrophobicContact CD1-CD1 4Å; Y454-Y550 AromaticContact CD1-CE1 3.9Å; Y454-Y550 HydrophobicContact CD1-CE1 3.9Å; Y454-Y550 AromaticContact CE1-CD1 3.71Å; Y454-Y550 HydrophobicContact CE1-CD1 3.71Å; Y454-Y550 HydrophobicContact CE1-CD2 4.19Å; Y454-Y550 AromaticContact CE1-CE1 3.82Å; Y454-Y550 HydrophobicContact CE1-CE1 3.82Å; Y454-Y550 HydrophobicContact CE1-CE2 4.29Å; Y454-Y550 AromaticContact CE1-CG 3.93Å; Y454-Y550 HydrophobicContact CE1-CG 3.93Å; L457-Y550 HydrophobicContact CD1-CD1 3.77Å; L457-Y550 HydrophobicContact CD1-CE1 3.66Å; L474-Y550 HydrophobicContact CD1-CD1 3.6Å; L474-Y550 HydrophobicContact CD1-CE1 4.49Å; L474-Y550 HydrophobicContact CD1-CG 4.32Å; F478-Y550 AromaticContact CD2-CD2 3.72Å; F478-Y550 HydrophobicContact CD2-CD2 3.72Å; F478-Y550 HydrophobicContact CD2-CE2 4.41Å; F478-Y550 HydrophobicContact CD2-CG 4.04Å; F478-Y550 HydrophobicContact CE2-CD2 4.33Å; L546-Y550 VanDerWaalsContact O-CD2 3.22Å; L546-Y550 WeakPolarHBondContact O-CD2 3.12Å; L546-Y550 PolarHBondContact O-N 2.98Å; Q547-Y550 PolarHBondContact O-N 3.03Å
551L95.1Very high92.5Very high1 Ų110.1 Ų10.11%0.0055%0.048CC..Hα-helixtrans-78-45178.2-8280.1000112.6L227 M265 Q547 H548 G549 A555 I562 A566L227-L551 HydrophobicContact CD2-CD2 3.42Å; L227-L551 VanDerWaalsContact CD2-CD2 3.42Å; M265-L551 HydrophobicContact CE-CB 4.23Å; Q547-L551 HydrophobicContact CG-CD1 4.14Å; Q547-L551 WeakPolarHBondContact O-CD1 3.4Å; Q547-L551 PolarHBondContact O-N 3.44Å; H548-L551 PolarHBondContact O-N 2.97Å; G549-L551 PolarHBondContact O-N 2.8Å; L551-A555 WeakPolarHBondContact O-CA 3.41Å; L551-A555 WeakPolarHBondContact O-CB 3.32Å; L551-A555 PolarHBondContact O-N 3.02Å; L551-I562 HydrophobicContact CD1-CG1 4.3Å; L551-I562 HydrophobicContact CG-CG1 4.36Å; L551-A566 HydrophobicContact CD1-CB 3.82Å; L551-A566 HydrophobicContact CD2-CB 3.94Å; L551-A566 HydrophobicContact CG-CB 4.39Å
552V95.9Very high92.6Very high0 Ų09.2 Ų9.20%05%0.045CC..Hα-helixtrans-88.1-37.8-169.8-56.10000113.2W268 A269 H548 G549 F554 Q607 S611 N615W268-V552 HydrophobicContact CE3-CG1 4.25Å; W268-V552 HydrophobicContact CZ3-CG1 3.83Å; A269-V552 HydrophobicContact CB-CB 4.17Å; A269-V552 HydrophobicContact CB-CG1 3.77Å; H548-V552 WeakPolarHBondContact O-CG2 3.46Å; H548-V552 PolarHBondContact O-N 2.81Å; G549-V552 PolarHBondContact O-N 2.8Å; V552-F554 VanDerWaalsContact C-N 3.34Å; V552-Q607 HydrophobicContact CG2-CB 4.34Å; V552-S611 WeakPolarHBondContact O-CB 3.41Å; V552-N615 PolarHBondContact O-ND2 3.06Å
553L95.5Very high92.7Very high8 Ų88.7 Ų8.74%0.0424%0.042CC..THydrogen-bonded Turntrans-74.5-27.8-176.9-59.8177.9000112.4Y454 G549 L610 T614Y454-L553 HydrophobicContact CD2-CD1 3.58Å; Y454-L553 HydrophobicContact CE2-CD1 3.58Å; Y454-L553 HydrophobicContact CG-CD1 4.23Å; G549-L553 VanDerWaalsContact O-CB 3.29Å; G549-L553 WeakPolarHBondContact O-CB 3.42Å; G549-L553 WeakPolarHBondContact O-CG 3.49Å; G549-L553 PolarHBondContact O-N 2.76Å; L553-L610 HydrophobicContact CD2-CB 3.62Å; L553-T614 HydrophobicContact CD2-CG2 4.29Å; L553-T614 WeakPolarHBondContact O-CB 3.33Å; L553-T614 PolarHBondContact O-OG1 2.9Å; L553-T614 VanDerWaalsContact O-OG1 3.13Å
554F94.9Very high92.9Very high5 Ų512.1 Ų12.12%0.0226%0.06CC..THydrogen-bonded Turntrans-120.228.5-176.3-54.8-74.8000112.4Y454 L457 L470 L474 V552 Y556 A557 L618Y454-F554 AromaticContact CD1-CE2 3.71Å; Y454-F554 HydrophobicContact CD1-CE2 3.71Å; Y454-F554 AromaticContact CG-CE2 3.92Å; Y454-F554 HydrophobicContact CG-CE2 3.92Å; Y454-F554 HydrophobicContact CG-CZ 4.37Å; L457-F554 HydrophobicContact CB-CD1 4.19Å; L457-F554 HydrophobicContact CB-CD2 4.44Å; L457-F554 HydrophobicContact CB-CE1 3.59Å; L457-F554 HydrophobicContact CB-CE2 3.88Å; L457-F554 HydrophobicContact CB-CZ 3.42Å; L457-F554 VanDerWaalsContact CB-CZ 3.42Å; L457-F554 HydrophobicContact CD1-CD2 3.9Å; L457-F554 HydrophobicContact CD1-CE2 3.64Å; L457-F554 HydrophobicContact CD1-CZ 4.09Å; L457-F554 HydrophobicContact CG-CE2 4.44Å; L457-F554 HydrophobicContact CG-CZ 4.42Å; L470-F554 HydrophobicContact CD1-CD1 4.25Å; L474-F554 HydrophobicContact CD1-CB 4.2Å; L474-F554 HydrophobicContact CD1-CD2 4.12Å; L474-F554 HydrophobicContact CD1-CG 4.4Å; L474-F554 HydrophobicContact CD2-CB 3.89Å; V552-F554 VanDerWaalsContact C-N 3.34Å; F554-Y556 PolarHBondContact O-N 2.99Å; F554-A557 WeakPolarHBondContact O-CB 3.03Å; F554-A557 PolarHBondContact O-N 2.9Å; F554-L618 HydrophobicContact CD1-CD1 4.06Å
555A94Very high93Very high2 Ų214.2 Ų14.22%0.0177%0.071CC..THydrogen-bonded Turntrans-54.4-32-177.300000112.7Y261 M265 L551 A557 N615Y261-A555 WeakPolarHBondContact CD1-O 3.37Å; Y261-A555 HydrophobicContact CE1-CB 4.21Å; Y261-A555 WeakPolarHBondContact CE1-O 3.31Å; M265-A555 HydrophobicContact CB-CB 3.53Å; M265-A555 HydrophobicContact CG-CB 3.8Å; L551-A555 WeakPolarHBondContact O-CA 3.41Å; L551-A555 WeakPolarHBondContact O-CB 3.32Å; L551-A555 PolarHBondContact O-N 3.02Å; A555-A557 PolarHBondContact O-N 3.01Å; A555-N615 WeakPolarHBondContact CB-OD1 3.5Å; A555-N615 PolarHBondContact N-OD1 2.78Å; A555-N615 VanDerWaalsContact N-OD1 3.15Å
556Y90.8Very high93Very high7 Ų714.1 Ų14.13%0.0277%0.07CC..THydrogen-bonded Turntrans-58.3-31.2176.2179.7-107.1000114.1H258 T262 R467 F554 N615 L618 E622H258-Y556 HydrophobicContact CB-CD2 3.99Å; H258-Y556 HydrophobicContact CB-CE2 3.69Å; H258-Y556 PolarHBondContact CD2-O 3.18Å; T262-Y556 HydrophobicContact CG2-CD2 3.82Å; T262-Y556 HydrophobicContact CG2-CG 4.16Å; R467-Y556 HydrophobicContact CB-CE1 4.15Å; R467-Y556 HydrophobicContact CG-CD1 4.33Å; R467-Y556 HydrophobicContact CG-CE1 3.8Å; F554-Y556 PolarHBondContact O-N 2.99Å; Y556-N615 PolarHBondContact N-OD1 3.24Å; Y556-N615 VanDerWaalsContact N-OD1 3.12Å; Y556-L618 HydrophobicContact CD1-CB 4.09Å; Y556-L618 HydrophobicContact CG-CB 4.36Å; Y556-E622 HydrophobicContact CE1-CB 4.29Å; Y556-E622 WeakPolarHBondContact OH-CB 3.48Å; Y556-E622 WeakPolarHBondContact OH-CG 3.44Å
557A89.6Confident93.1Very high0 Ų015.7 Ų15.70%08%0.078CC..THydrogen-bonded Turntrans-75.1-39.8-170.600000113.7L470 R471 L474 F554 A555L470-A557 HydrophobicContact CD2-CB 3.84Å; L470-A557 HydrophobicContact CG-CB 3.83Å; R471-A557 HydrophobicContact CB-CB 4.42Å; L474-A557 HydrophobicContact CD2-CB 3.98Å; F554-A557 WeakPolarHBondContact O-CB 3.03Å; F554-A557 PolarHBondContact O-N 2.9Å; A555-A557 PolarHBondContact O-N 3.01Å
558S86.9Confident93.1Very high1 Ų120.1 Ų20.11%0.00710%0.101CC..  trans-146.199.6-173.8-160.40000113.1L560 I562S558-L560 PolarHBondContact O-N 3.29Å; S558-I562 VanDerWaalsContact O-CG2 3.24Å; S558-I562 WeakPolarHBondContact O-CG2 2.98Å
559P82.2Confident93Very high20 Ų2021 Ų2113%0.1311%0.107CC..SBendtrans-65.2-27.9-177.9-29.437.6000117.3G234 C237 Y261G234-P559 VanDerWaalsContact CA-O 3.28Å; G234-P559 WeakPolarHBondContact CA-O 3.26Å; C237-P559 HydrophobicContact CB-CB 4.4Å; Y261-P559 HydrophobicContact CD1-CB 3.79Å; Y261-P559 HydrophobicContact CD1-CG 4.04Å; Y261-P559 HydrophobicContact CD2-CB 3.86Å; Y261-P559 VanDerWaalsContact CE1-CA 3.43Å; Y261-P559 HydrophobicContact CE1-CB 4.14Å; Y261-P559 HydrophobicContact CE2-CB 4.19Å; Y261-P559 WeakPolarHBondContact CE2-O 3.35Å; Y261-P559 HydrophobicContact CG-CB 3.64Å; Y261-P559 HydrophobicContact CG-CG 4.12Å; Y261-P559 PolarHBondContact OH-O 3.47Å; Y261-P559 VanDerWaalsContact OH-O 3.04Å
560L91.5Very high92.9Very high12 Ų1221 Ų216%0.06311%0.107CC..SBendtrans-126.2-50.8-169.9177.458.6000113.6L231 L235 Q238 S558 I562 T563 I564L231-L560 HydrophobicContact CD1-CD1 3.89Å; L235-L560 HydrophobicContact CD2-CD1 3.87Å; L235-L560 HydrophobicContact CD2-CD2 3.88Å; L235-L560 HydrophobicContact CG-CD1 3.83Å; Q238-L560 HydrophobicContact CB-CD2 3.67Å; Q238-L560 HydrophobicContact CG-CD2 3.88Å; S558-L560 PolarHBondContact O-N 3.29Å; L560-I562 PolarHBondContact O-N 3.48Å; L560-T563 PolarHBondContact O-N 2.73Å; L560-T563 VanDerWaalsContact O-N 3.14Å; L560-I564 HydrophobicContact CD1-CD1 3.75Å; L560-I564 HydrophobicContact CD1-CG1 3.96Å; L560-I564 HydrophobicContact CD2-CD1 4.31Å; L560-I564 HydrophobicContact CG-CD1 3.74Å; L560-I564 HydrophobicContact CG-CG1 4.35Å; L560-I564 PolarHBondContact O-N 3.17Å; L560-I564 VanDerWaalsContact O-N 3.09Å
561F91.5Very high92.8Very high97 Ų9724.1 Ų24.143%0.42512%0.121SC..Hα-helixtrans-63.2-40.1-168.2-70.4-78.9000113L475 T563 I564 L565L475-F561 HydrophobicContact CD1-CB 4.31Å; L475-F561 HydrophobicContact CD2-CB 4.16Å; F561-T563 VanDerWaalsContact C-N 3.3Å; F561-T563 PolarHBondContact O-N 3.37Å; F561-I564 PolarHBondContact O-N 2.83Å; F561-L565 WeakPolarHBondContact O-CB 3.31Å; F561-L565 PolarHBondContact O-N 2.94Å
562I93.2Very high92.7Very high3 Ų327.7 Ų27.72%0.01514%0.14CC..Hα-helixtrans-64.1-37.9177.9-166.6164.9000111.8L474 L475 L551 S558 L560 L565 A566L474-I562 HydrophobicContact CD1-CD1 3.98Å; L474-I562 HydrophobicContact CD2-CD1 3.57Å; L474-I562 HydrophobicContact CG-CD1 3.64Å; L475-I562 HydrophobicContact CD2-CB 3.93Å; L475-I562 HydrophobicContact CD2-CG1 4.46Å; L551-I562 HydrophobicContact CD1-CG1 4.3Å; L551-I562 HydrophobicContact CG-CG1 4.36Å; S558-I562 VanDerWaalsContact O-CG2 3.24Å; S558-I562 WeakPolarHBondContact O-CG2 2.98Å; L560-I562 PolarHBondContact O-N 3.48Å; I562-L565 PolarHBondContact O-N 3.07Å; I562-A566 WeakPolarHBondContact O-CB 3.35Å; I562-A566 PolarHBondContact O-N 2.88Å
563T94.5Very high92.5Very high0 Ų028.1 Ų28.10%014%0.142CC..Hα-helixtrans-68.3-40.4179-54.20000111.8P230 L231 Y261 L560 F561 A566 I567P230-T563 HydrophobicContact CB-CG2 3.75Å; L231-T563 HydrophobicContact CB-CG2 4Å; Y261-T563 PolarHBondContact OH-OG1 2.82Å; L560-T563 PolarHBondContact O-N 2.73Å; L560-T563 VanDerWaalsContact O-N 3.14Å; F561-T563 VanDerWaalsContact C-N 3.3Å; F561-T563 PolarHBondContact O-N 3.37Å; T563-A566 PolarHBondContact O-N 2.87Å; T563-I567 HydrophobicContact CG2-CD1 4.27Å; T563-I567 WeakPolarHBondContact O-CG1 3.35Å; T563-I567 PolarHBondContact O-N 3.25Å
564I95Very high92.4Very high78 Ų7827.8 Ų27.840%0.414%0.14SC..Hα-helixtrans-60.6-48173.6-66.5171.5000110.1L231 L560 F561 A566 I567 L568L231-I564 HydrophobicContact CD1-CD1 4.45Å; L231-I564 HydrophobicContact CD1-CG1 3.58Å; L560-I564 HydrophobicContact CD1-CD1 3.75Å; L560-I564 HydrophobicContact CD1-CG1 3.96Å; L560-I564 HydrophobicContact CD2-CD1 4.31Å; L560-I564 HydrophobicContact CG-CD1 3.74Å; L560-I564 HydrophobicContact CG-CG1 4.35Å; L560-I564 PolarHBondContact O-N 3.17Å; L560-I564 VanDerWaalsContact O-N 3.09Å; F561-I564 PolarHBondContact O-N 2.83Å; I564-A566 VanDerWaalsContact C-N 3.35Å; I564-I567 PolarHBondContact O-N 3.42Å; I564-L568 PolarHBondContact O-N 2.95Å
565L94.1Very high92.2Very high44 Ų4430.1 Ų30.123%0.2315%0.151CC..Hα-helixtrans-63.4-42.3179.9-173.757.3000111.3F478 A479 F561 I562 I567 L568 C569F478-L565 HydrophobicContact CD1-CB 4.45Å; F478-L565 HydrophobicContact CD1-CD2 3.53Å; F478-L565 HydrophobicContact CD1-CG 3.67Å; F478-L565 HydrophobicContact CE1-CB 4.4Å; F478-L565 HydrophobicContact CE1-CD2 4.17Å; F478-L565 HydrophobicContact CE1-CG 3.77Å; A479-L565 HydrophobicContact CB-CD2 4.15Å; F561-L565 WeakPolarHBondContact O-CB 3.31Å; F561-L565 PolarHBondContact O-N 2.94Å; I562-L565 PolarHBondContact O-N 3.07Å; L565-I567 PolarHBondContact O-N 3.37Å; L565-L568 PolarHBondContact O-N 3.25Å; L565-C569 WeakPolarHBondContact O-CB 3.4Å; L565-C569 PolarHBondContact O-N 2.89Å; L565-C569 PolarHBondContact O-SG 2.99Å
566A95.1Very high92Very high0 Ų033.1 Ų33.10%016%0.164CC..Hα-helixtrans-59-45.4175.900000112.6L227 F478 Q547 L551 I562 T563 I564 C569 T570L227-A566 HydrophobicContact CD1-CB 4.33Å; F478-A566 HydrophobicContact CZ-CB 4.25Å; Q547-A566 PolarHBondContact NE2-O 3.5Å; Q547-A566 VanDerWaalsContact NE2-O 3.1Å; L551-A566 HydrophobicContact CD1-CB 3.82Å; L551-A566 HydrophobicContact CD2-CB 3.94Å; L551-A566 HydrophobicContact CG-CB 4.39Å; I562-A566 WeakPolarHBondContact O-CB 3.35Å; I562-A566 PolarHBondContact O-N 2.88Å; T563-A566 PolarHBondContact O-N 2.87Å; I564-A566 VanDerWaalsContact C-N 3.35Å; A566-C569 PolarHBondContact O-N 3.48Å; A566-T570 WeakPolarHBondContact O-CB 3.38Å; A566-T570 PolarHBondContact O-N 2.94Å; A566-T570 PolarHBondContact O-OG1 2.91Å
567I95.1Very high92.1Very high43 Ų4332.8 Ų32.822%0.22116%0.162CC..Hα-helixtrans-62.5-45.8176.6-70.9169.4000110.7L227 L231 T563 I564 L565 F571L227-I567 HydrophobicContact CB-CD1 4.01Å; L227-I567 HydrophobicContact CB-CG1 3.6Å; L227-I567 HydrophobicContact CD1-CG1 3.94Å; L227-I567 HydrophobicContact CG-CG1 4.39Å; L231-I567 HydrophobicContact CB-CD1 3.9Å; L231-I567 HydrophobicContact CD1-CD1 4.47Å; L231-I567 HydrophobicContact CD2-CD1 3.76Å; L231-I567 HydrophobicContact CG-CD1 4.25Å; T563-I567 HydrophobicContact CG2-CD1 4.27Å; T563-I567 WeakPolarHBondContact O-CG1 3.35Å; T563-I567 PolarHBondContact O-N 3.25Å; I564-I567 PolarHBondContact O-N 3.42Å; L565-I567 PolarHBondContact O-N 3.37Å; I567-F571 WeakPolarHBondContact O-CB 3.46Å; I567-F571 PolarHBondContact O-N 2.73Å
568L94.3Very high92.2Very high93 Ų9332.9 Ų32.949%0.48716%0.163SC..Hα-helixtrans-62.7-47.4179.1-179.365.6000111.5I564 L565 F571 L572I564-L568 PolarHBondContact O-N 2.95Å; L565-L568 PolarHBondContact O-N 3.25Å; L568-F571 PolarHBondContact O-N 3.14Å; L568-L572 HydrophobicContact CD1-CD1 4.38Å; L568-L572 HydrophobicContact CG-CD1 4.28Å; L568-L572 WeakPolarHBondContact O-CG 3.38Å; L568-L572 PolarHBondContact O-N 3.23Å
569C93.7Very high92.4Very high19 Ų1935.7 Ų35.713%0.12818%0.175CC..Hα-helixtrans-63.1-51.3179.5-72.10000111.4F478 S482 L565 A566 F571 L572 E573F478-C569 HydrophobicContact CE1-CB 4.1Å; F478-C569 HydrophobicContact CZ-CB 4.31Å; S482-C569 PolarHBondContact OG-SG 3.35Å; L565-C569 WeakPolarHBondContact O-CB 3.4Å; L565-C569 PolarHBondContact O-N 2.89Å; L565-C569 PolarHBondContact O-SG 2.99Å; A566-C569 PolarHBondContact O-N 3.48Å; C569-F571 VanDerWaalsContact C-N 3.28Å; C569-F571 PolarHBondContact O-N 3.26Å; C569-L572 PolarHBondContact O-N 3.39Å; C569-E573 WeakPolarHBondContact O-CB 3.3Å; C569-E573 PolarHBondContact O-N 3.49Å
570T93.4Very high92.8Very high0 Ų035.1 Ų35.10%017%0.171CC..Hα-helixtrans-60.4-38.6177.4-55.80000111.8M220 Y223 C224 M544 Q547 A566 E573 I574M220-T570 HydrophobicContact CE-CG2 3.7Å; M220-T570 HydrophobicContact SD-CG2 4.05Å; Y223-T570 HydrophobicContact CD1-CG2 4.22Å; C224-T570 WeakPolarHBondContact SG-CG2 3.45Å; M544-T570 HydrophobicContact SD-CG2 4.21Å; Q547-T570 PolarHBondContact NE2-OG1 2.88Å; Q547-T570 PolarHBondContact OE1-OG1 3.3Å; A566-T570 WeakPolarHBondContact O-CB 3.38Å; A566-T570 PolarHBondContact O-N 2.94Å; A566-T570 PolarHBondContact O-OG1 2.91Å; T570-E573 PolarHBondContact O-N 3.25Å; T570-I574 HydrophobicContact CG2-CD1 4.38Å; T570-I574 VanDerWaalsContact O-CG1 3.26Å; T570-I574 WeakPolarHBondContact O-CG1 3.42Å; T570-I574 PolarHBondContact O-N 3.1Å
571F92.6Very high92.8Very high73 Ų7334.6 Ų34.632%0.3217%0.168SC..Hα-helixtrans-61.3-50.2176.2175.9-101000111.5V198 F199 I567 L568 C569 E573 H575V198-F571 HydrophobicContact CG1-CD2 4.36Å; V198-F571 HydrophobicContact CG1-CE2 3.72Å; F199-F571 HydrophobicContact CE1-CD2 4.45Å; I567-F571 WeakPolarHBondContact O-CB 3.46Å; I567-F571 PolarHBondContact O-N 2.73Å; L568-F571 PolarHBondContact O-N 3.14Å; C569-F571 VanDerWaalsContact C-N 3.28Å; C569-F571 PolarHBondContact O-N 3.26Å; F571-E573 VanDerWaalsContact C-N 3.32Å; F571-E573 PolarHBondContact O-N 3.12Å; F571-H575 AromaticContact CD2-NE2 4Å; F571-H575 AromaticContact CE1-CD2 3.85Å; F571-H575 AromaticContact CE1-NE2 3.84Å; F571-H575 AromaticContact CE2-CD2 3.9Å; F571-H575 AromaticContact CE2-NE2 3.27Å; F571-H575 VanDerWaalsContact CE2-NE2 3.27Å; F571-H575 WeakPolarHBondContact CE2-NE2 3.36Å; F571-H575 AromaticContact CZ-CD2 3.69Å; F571-H575 AromaticContact CZ-NE2 3.18Å; F571-H575 WeakPolarHBondContact CZ-NE2 3.27Å; F571-H575 PolarHBondContact O-CD2 3.29Å
572L92Very high92.7Very high76 Ų7630 Ų3040%0.39815%0.148SC..Hα-helixtrans-61.1-41.8176.7-70.2175.2000111.6L568 C569 I574 H575 F576L568-L572 HydrophobicContact CD1-CD1 4.38Å; L568-L572 HydrophobicContact CG-CD1 4.28Å; L568-L572 WeakPolarHBondContact O-CG 3.38Å; L568-L572 PolarHBondContact O-N 3.23Å; C569-L572 PolarHBondContact O-N 3.39Å; L572-I574 PolarHBondContact O-N 3.27Å; L572-H575 WeakPolarHBondContact O-CA 3.23Å; L572-H575 WeakPolarHBondContact O-CB 3.14Å; L572-H575 PolarHBondContact O-N 3.13Å; L572-F576 HydrophobicContact CB-CD2 4.19Å; L572-F576 HydrophobicContact CB-CE2 4.09Å; L572-F576 WeakPolarHBondContact O-CD2 3.38Å; L572-F576 PolarHBondContact O-N 3.37Å
573E92.6Very high92.4Very high9 Ų934.4 Ų34.44%0.04216%0.164CC..Hα-helixtrans-60.8-46.8-178.1-161.954.4-122.400111.8M220 M544 C569 T570 F571 H575 F576 D577M220-E573 HydrophobicContact CE-CB 3.96Å; M220-E573 HydrophobicContact CE-CG 4.1Å; M544-E573 HydrophobicContact CE-CG 4.34Å; C569-E573 WeakPolarHBondContact O-CB 3.3Å; C569-E573 PolarHBondContact O-N 3.49Å; T570-E573 PolarHBondContact O-N 3.25Å; F571-E573 VanDerWaalsContact C-N 3.32Å; F571-E573 PolarHBondContact O-N 3.12Å; E573-H575 PolarHBondContact O-N 3.33Å; E573-F576 CarbonylContact O-C 3.59Å; E573-F576 PolarHBondContact O-N 3.43Å; E573-D577 WeakPolarHBondContact O-CB 3.3Å; E573-D577 PolarHBondContact O-N 3.06Å
574I92.4Very high92.1Very high2 Ų234.4 Ų34.41%0.0116%0.164CC..Hα-helixtrans-50.6-38.9172.9-68.9166.4000111.2F199 P200 F217 M220 T570 L572 V578F199-I574 HydrophobicContact CD1-CD1 3.74Å; F199-I574 HydrophobicContact CE1-CD1 3.71Å; P200-I574 HydrophobicContact CG-CG2 3.57Å; F217-I574 HydrophobicContact CD1-CG2 4.33Å; F217-I574 HydrophobicContact CE1-CG2 4.33Å; M220-I574 HydrophobicContact CB-CD1 3.7Å; M220-I574 HydrophobicContact CB-CG1 3.53Å; M220-I574 HydrophobicContact CE-CG1 3.68Å; M220-I574 HydrophobicContact CG-CG1 4.08Å; T570-I574 HydrophobicContact CG2-CD1 4.38Å; T570-I574 VanDerWaalsContact O-CG1 3.26Å; T570-I574 WeakPolarHBondContact O-CG1 3.42Å; T570-I574 PolarHBondContact O-N 3.1Å; L572-I574 PolarHBondContact O-N 3.27Å; I574-V578 VanDerWaalsContact O-CG2 3.27Å; I574-V578 WeakPolarHBondContact O-CG2 3.47Å; I574-V578 PolarHBondContact O-N 2.87Å
575H91Very high91.8Very high53 Ų5331.4 Ų31.425%0.24515%0.149CC..Hα-helixtrans-76.6-37.3-178.6-71.5-74000113.4R192 F571 L572 E573 F579R192-H575 PolarHBondContact NH2-ND1 3.32Å; R192-H575 PolarHBondContact NH2-O 2.74Å; F571-H575 AromaticContact CD2-NE2 4Å; F571-H575 AromaticContact CE1-CD2 3.85Å; F571-H575 AromaticContact CE1-NE2 3.84Å; F571-H575 AromaticContact CE2-CD2 3.9Å; F571-H575 AromaticContact CE2-NE2 3.27Å; F571-H575 VanDerWaalsContact CE2-NE2 3.27Å; F571-H575 WeakPolarHBondContact CE2-NE2 3.36Å; F571-H575 AromaticContact CZ-CD2 3.69Å; F571-H575 AromaticContact CZ-NE2 3.18Å; F571-H575 WeakPolarHBondContact CZ-NE2 3.27Å; F571-H575 PolarHBondContact O-CD2 3.29Å; L572-H575 WeakPolarHBondContact O-CA 3.23Å; L572-H575 WeakPolarHBondContact O-CB 3.14Å; L572-H575 PolarHBondContact O-N 3.13Å; E573-H575 PolarHBondContact O-N 3.33Å; H575-F579 PolarHBondContact O-N 2.93Å
576F91.4Very high91.5Very high66 Ų6630.3 Ų30.329%0.28914%0.143SC..Hα-helixtrans-72.3-38.6177-75.6-60.4000112.2L486 L572 E573 V578 F579 K580L486-F576 HydrophobicContact CD1-CB 4.34Å; L486-F576 HydrophobicContact CD1-CD1 3.61Å; L486-F576 HydrophobicContact CD1-CD2 3.51Å; L486-F576 HydrophobicContact CD1-CE1 3.67Å; L486-F576 HydrophobicContact CD1-CE2 3.55Å; L486-F576 HydrophobicContact CD1-CG 3.55Å; L486-F576 HydrophobicContact CD1-CZ 3.64Å; L486-F576 HydrophobicContact CD2-CE2 4.1Å; L486-F576 HydrophobicContact CD2-CZ 4.22Å; L486-F576 HydrophobicContact CG-CE2 4.47Å; L572-F576 HydrophobicContact CB-CD2 4.19Å; L572-F576 HydrophobicContact CB-CE2 4.09Å; L572-F576 WeakPolarHBondContact O-CD2 3.38Å; L572-F576 PolarHBondContact O-N 3.37Å; E573-F576 CarbonylContact O-C 3.59Å; E573-F576 PolarHBondContact O-N 3.43Å; F576-V578 PolarHBondContact O-N 2.89Å; F576-F579 CarbonylContact O-C 3.6Å; F576-F579 WeakPolarHBondContact O-CA 3.46Å; F576-F579 WeakPolarHBondContact O-CB 3.44Å; F576-F579 PolarHBondContact O-N 3.06Å; F576-K580 WeakPolarHBondContact O-CB 3.11Å; F576-K580 PolarHBondContact O-N 3.4Å
577D92.2Very high91.1Very high0 Ų030.5 Ų30.50%014%0.144CC..Hα-helixtrans-61.5-43.4174.2-76.5-35000113Y216 F217 E573 F579 K580 L581Y216-D577 HydrophobicContact CE1-CB 4.27Å; Y216-D577 WeakPolarHBondContact CE1-OD2 3.28Å; Y216-D577 VanDerWaalsContact CZ-OD2 3.23Å; Y216-D577 PolarHBondContact OH-OD2 2.94Å; F217-D577 HydrophobicContact CE1-CB 4.09Å; F217-D577 HydrophobicContact CZ-CB 3.86Å; E573-D577 WeakPolarHBondContact O-CB 3.3Å; E573-D577 PolarHBondContact O-N 3.06Å; D577-F579 PolarHBondContact O-N 3.17Å; D577-K580 WeakPolarHBondContact O-CB 3.48Å; D577-K580 PolarHBondContact O-N 3.24Å; D577-K580 WeakPolarHBondContact OD1-CE 3.29Å; D577-K580 IonicContact OD1-NZ 3.91Å; D577-K580 PolarHBondContact OD1-NZ 3.23Å; D577-L581 WeakPolarHBondContact O-CB 3.37Å; D577-L581 WeakPolarHBondContact O-CG 3.43Å; D577-L581 PolarHBondContact O-N 3.46Å
578V91.8Very high90.6Very high1 Ų128.9 Ų28.91%0.00614%0.137CC..Hα-helixtrans-60.5-40.7173.8173.40000110W189 P200 L205 F217 I574 F576 F582W189-V578 HydrophobicContact CE3-CG1 4.39Å; W189-V578 HydrophobicContact CZ3-CG1 4.04Å; P200-V578 HydrophobicContact CB-CG2 4.12Å; P200-V578 HydrophobicContact CG-CG2 3.97Å; L205-V578 HydrophobicContact CD1-CG2 4.04Å; F217-V578 HydrophobicContact CD1-CG2 4.4Å; F217-V578 HydrophobicContact CE1-CG2 3.51Å; F217-V578 HydrophobicContact CZ-CG2 3.58Å; I574-V578 VanDerWaalsContact O-CG2 3.27Å; I574-V578 WeakPolarHBondContact O-CG2 3.47Å; I574-V578 PolarHBondContact O-N 2.87Å; F576-V578 PolarHBondContact O-N 2.89Å; V578-F582 HydrophobicContact CG1-CD2 3.76Å; V578-F582 HydrophobicContact CG1-CE2 3.86Å; V578-F582 WeakPolarHBondContact O-CD2 3.32Å; V578-F582 PolarHBondContact O-N 3.19Å
579F90.7Very high89.8Confident60 Ų6028.5 Ų28.526%0.26313%0.131SC..Hα-helixtrans-65.1-45.3176.3176.3-93.9000112W189 Y494 H575 F576 D577 L581 F582 W583 V584W189-F579 HydrophobicContact CH2-CB 4.42Å; W189-F579 AromaticContact CH2-CD2 3.96Å; W189-F579 HydrophobicContact CH2-CD2 3.96Å; Y494-F579 HydrophobicContact CD2-CE1 4.07Å; Y494-F579 AromaticContact CD2-CZ 3.94Å; Y494-F579 HydrophobicContact CD2-CZ 3.94Å; Y494-F579 AromaticContact CE2-CZ 3.93Å; Y494-F579 HydrophobicContact CE2-CZ 3.93Å; H575-F579 PolarHBondContact O-N 2.93Å; F576-F579 CarbonylContact O-C 3.6Å; F576-F579 WeakPolarHBondContact O-CA 3.46Å; F576-F579 WeakPolarHBondContact O-CB 3.44Å; F576-F579 PolarHBondContact O-N 3.06Å; D577-F579 PolarHBondContact O-N 3.17Å; F579-L581 PolarHBondContact O-N 2.99Å; F579-F582 PolarHBondContact O-N 3.42Å; F579-W583 AromaticContact CD2-CD1 3.63Å; F579-W583 HydrophobicContact CD2-CG 4.4Å; F579-W583 HydrophobicContact CE2-CB 4.23Å; F579-W583 AromaticContact CE2-CD1 3.79Å; F579-W583 HydrophobicContact CE2-CG 4.2Å; F579-W583 HydrophobicContact CZ-CB 4.3Å; F579-W583 PolarHBondContact O-N 2.81Å; F579-V584 HydrophobicContact CD1-CG2 4.2Å; F579-V584 HydrophobicContact CE1-CG2 3.87Å
580K91.2Very high88.5Confident9 Ų928.7 Ų28.74%0.03913%0.132CC..Hα-helixtrans-52.7-54.5176.6-177.5171.163.8-172.20110.7E489 D540 F576 D577 F582 W583 V584 T585E489-K580 HydrophobicContact CB-CD 4.14Å; E489-K580 IonicContact OE2-NZ 3.79Å; E489-K580 PolarHBondContact OE2-NZ 2.9Å; D540-K580 IonicContact OD1-NZ 3.73Å; D540-K580 PolarHBondContact OD1-NZ 3.38Å; D540-K580 IonicContact OD2-NZ 3.45Å; F576-K580 WeakPolarHBondContact O-CB 3.11Å; F576-K580 PolarHBondContact O-N 3.4Å; D577-K580 WeakPolarHBondContact O-CB 3.48Å; D577-K580 PolarHBondContact O-N 3.24Å; D577-K580 WeakPolarHBondContact OD1-CE 3.29Å; D577-K580 IonicContact OD1-NZ 3.91Å; D577-K580 PolarHBondContact OD1-NZ 3.23Å; K580-F582 VanDerWaalsContact C-N 3.32Å; K580-F582 PolarHBondContact O-N 3.34Å; K580-W583 PolarHBondContact O-N 3.21Å; K580-V584 WeakPolarHBondContact O-CA 3.33Å; K580-V584 WeakPolarHBondContact O-CB 3.18Å; K580-V584 PolarHBondContact O-N 2.84Å; K580-T585 HydrophobicContact CG-CG2 3.91Å; K580-T585 PolarHBondContact O-N 2.91Å; K580-T585 VanDerWaalsContact O-N 3.08Å; K580-T585 PolarHBondContact O-OG1 3.38Å
581L91Very high87.2Confident0 Ų032.3 Ų32.30%015%0.152CC..Hα-helixtrans-63-31.4-178.5-75.3169.3000114.8F209 V213 F217 Y535 D577 F579 T585 P588F209-L581 HydrophobicContact CD1-CD2 4.48Å; F209-L581 HydrophobicContact CD2-CD1 4.41Å; F209-L581 HydrophobicContact CE1-CB 3.92Å; F209-L581 WeakPolarHBondContact CE1-O 3.43Å; F209-L581 HydrophobicContact CE2-CB 4.09Å; F209-L581 HydrophobicContact CE2-CD1 4.44Å; F209-L581 HydrophobicContact CZ-CB 3.66Å; V213-L581 HydrophobicContact CG1-CD1 3.65Å; F217-L581 HydrophobicContact CE2-CD1 3.54Å; F217-L581 HydrophobicContact CZ-CD1 3.87Å; Y535-L581 HydrophobicContact CD1-CD2 4.2Å; Y535-L581 HydrophobicContact CD2-CD2 3.66Å; Y535-L581 HydrophobicContact CE1-CD2 4.09Å; Y535-L581 HydrophobicContact CE2-CD2 3.6Å; Y535-L581 HydrophobicContact CE2-CG 4.31Å; Y535-L581 HydrophobicContact CG-CD2 3.95Å; D577-L581 WeakPolarHBondContact O-CB 3.37Å; D577-L581 WeakPolarHBondContact O-CG 3.43Å; D577-L581 PolarHBondContact O-N 3.46Å; F579-L581 PolarHBondContact O-N 2.99Å; L581-T585 WeakPolarHBondContact CA-OG1 3.28Å; L581-P588 HydrophobicContact CD2-CG 3.76Å
582F89.7Confident85.7Confident2 Ų231 Ų311%0.00915%0.148CC..Hα-helixtrans-89.4-31.3-177.2-83.4-61.1000114.1R185 I188 W189 L205 Y208 F209 V578 F579 K580R185-F582 HydrophobicContact CB-CD1 4.26Å; R185-F582 HydrophobicContact CB-CE1 4.26Å; R185-F582 WeakPolarHBondContact CD-O 3.25Å; R185-F582 HydrophobicContact CG-CD1 3.46Å; R185-F582 VanDerWaalsContact CG-CD1 3.46Å; R185-F582 HydrophobicContact CG-CE1 3.9Å; R185-F582 HydrophobicContact CG-CG 4.44Å; R185-F582 PolarHBondContact NH1-O 3.1Å; I188-F582 HydrophobicContact CB-CZ 4.06Å; I188-F582 HydrophobicContact CG2-CE2 4.36Å; I188-F582 HydrophobicContact CG2-CZ 3.68Å; W189-F582 HydrophobicContact CE3-CB 4.32Å; W189-F582 AromaticContact CE3-CD2 3.77Å; W189-F582 HydrophobicContact CE3-CD2 3.77Å; W189-F582 HydrophobicContact CE3-CE2 4.44Å; W189-F582 HydrophobicContact CE3-CG 4.23Å; W189-F582 HydrophobicContact CZ3-CD2 4.25Å; L205-F582 HydrophobicContact CD2-CE2 3.76Å; L205-F582 HydrophobicContact CD2-CZ 4.02Å; Y208-F582 HydrophobicContact CD1-CE1 4.23Å; Y208-F582 HydrophobicContact CE1-CE1 4.13Å; F209-F582 HydrophobicContact CE2-CD1 4.32Å; F209-F582 HydrophobicContact CE2-CD2 4.34Å; F209-F582 AromaticContact CE2-CE1 3.85Å; F209-F582 HydrophobicContact CE2-CE1 3.85Å; F209-F582 AromaticContact CE2-CE2 3.82Å; F209-F582 HydrophobicContact CE2-CE2 3.82Å; F209-F582 AromaticContact CE2-CZ 3.56Å; F209-F582 HydrophobicContact CE2-CZ 3.56Å; F209-F582 AromaticContact CZ-CD1 3.63Å; F209-F582 HydrophobicContact CZ-CD1 3.63Å; F209-F582 HydrophobicContact CZ-CD2 4.17Å; F209-F582 AromaticContact CZ-CE1 3.54Å; F209-F582 HydrophobicContact CZ-CE1 3.54Å; F209-F582 HydrophobicContact CZ-CE2 4.04Å; F209-F582 AromaticContact CZ-CG 3.98Å; F209-F582 HydrophobicContact CZ-CG 3.98Å; F209-F582 AromaticContact CZ-CZ 3.74Å; F209-F582 HydrophobicContact CZ-CZ 3.74Å; V578-F582 HydrophobicContact CG1-CD2 3.76Å; V578-F582 HydrophobicContact CG1-CE2 3.86Å; V578-F582 WeakPolarHBondContact O-CD2 3.32Å; V578-F582 PolarHBondContact O-N 3.19Å; F579-F582 PolarHBondContact O-N 3.42Å; K580-F582 VanDerWaalsContact C-N 3.32Å; K580-F582 PolarHBondContact O-N 3.34Å
583W86.6Confident84.4Confident94 Ų9428.3 Ų28.336%0.35613%0.134SC..Hα-helixtrans-127.1-14.4-165.6-61.4110.4000115.6W189 F579 K580W189-W583 AromaticContact CD2-NE1 3.73Å; W189-W583 AromaticContact CE2-NE1 3.7Å; W189-W583 AromaticContact CE3-NE1 3.76Å; W189-W583 AromaticContact CH2-NE1 3.83Å; W189-W583 AromaticContact CZ2-NE1 3.77Å; W189-W583 AromaticContact CZ3-NE1 3.8Å; F579-W583 AromaticContact CD2-CD1 3.63Å; F579-W583 HydrophobicContact CD2-CG 4.4Å; F579-W583 HydrophobicContact CE2-CB 4.23Å; F579-W583 AromaticContact CE2-CD1 3.79Å; F579-W583 HydrophobicContact CE2-CG 4.2Å; F579-W583 HydrophobicContact CZ-CB 4.3Å; F579-W583 PolarHBondContact O-N 2.81Å; K580-W583 PolarHBondContact O-N 3.21Å
584V87.4Confident82.8Confident1 Ų130.2 Ų30.21%0.00614%0.144CC..THydrogen-bonded Turntrans-115-39.8-171.7-176.90000111.5P493 Y494 A532 F579 K580P493-V584 HydrophobicContact CB-CG1 3.49Å; P493-V584 VanDerWaalsContact CB-CG1 3.49Å; Y494-V584 HydrophobicContact CD2-CG2 4.16Å; A532-V584 VanDerWaalsContact CB-O 3.29Å; A532-V584 WeakPolarHBondContact CB-O 3.26Å; F579-V584 HydrophobicContact CD1-CG2 4.2Å; F579-V584 HydrophobicContact CE1-CG2 3.87Å; K580-V584 WeakPolarHBondContact O-CA 3.33Å; K580-V584 WeakPolarHBondContact O-CB 3.18Å; K580-V584 PolarHBondContact O-N 2.84Å
585T89.3Confident81.1Confident14 Ų1433.3 Ų33.39%0.08616%0.156CC..BIsolated β-bridgetrans-103163.4-175.165.20000112.8H180 D533 Y535 K580 L581H180-T585 PolarHBondContact NE2-O 2.94Å; D533-T585 WeakPolarHBondContact O-CA 3.49Å; Y535-T585 HydrophobicContact CD2-CG2 4.26Å; K580-T585 HydrophobicContact CG-CG2 3.91Å; K580-T585 PolarHBondContact O-N 2.91Å; K580-T585 VanDerWaalsContact O-N 3.08Å; K580-T585 PolarHBondContact O-OG1 3.38Å; L581-T585 WeakPolarHBondContact CA-OG1 3.28Å
586Q87.9Confident79.9Confident22 Ų2231.8 Ų31.810%0.10316%0.155CC..PPolyproline II helixtrans-66.4164.7162.8-60.6-177.42200110.4E529 L530 A532 D533 P588E529-Q586 WeakPolarHBondContact O-CG 3.23Å; L530-Q586 PolarHBondContact O-NE2 3.36Å; A532-Q586 HydrophobicContact CB-CG 3.91Å; A532-Q586 WeakPolarHBondContact O-CG 3.26Å; A532-Q586 PolarHBondContact O-NE2 2.6Å; D533-Q586 PolarHBondContact O-N 3.48Å; Q586-P588 WeakPolarHBondContact O-CD 3.47Å
587C86.2Confident78.7Confident3 Ų334.1 Ų34.12%0.0217%0.166CC..PPolyproline II helixtrans-63.8127171.3-172.60000109.2R178 H180R178-C587 HydrophobicContact CB-CB 4.17Å; R178-C587 PolarHBondContact NE-SG 2.73Å; R178-C587 VanDerWaalsContact NE-SG 3.37Å; R178-C587 PolarHBondContact NH2-SG 3.07Å; R178-C587 WeakPolarHBondContact O-CB 3.29Å; H180-C587 PolarHBondContact NE2-N 3.49Å
588P84.7Confident78.3Confident9 Ų935.2 Ų35.26%0.05817%0.174CC..PPolyproline II helixtrans-53.7148.7174.3-25.336.2000111.9F209 V213 Y535 L581 Q586F209-P588 HydrophobicContact CB-CG 4.47Å; F209-P588 HydrophobicContact CD1-CG 4.18Å; V213-P588 HydrophobicContact CG2-CB 4.37Å; V213-P588 HydrophobicContact CG2-CG 4.12Å; Y535-P588 HydrophobicContact CD1-CB 3.64Å; Y535-P588 HydrophobicContact CD1-CG 3.4Å; Y535-P588 HydrophobicContact CE1-CB 4.24Å; Y535-P588 HydrophobicContact CE1-CG 3.95Å; Y535-P588 HydrophobicContact CG-CB 4.46Å; Y535-P588 HydrophobicContact CG-CG 3.88Å; L581-P588 HydrophobicContact CD2-CG 3.76Å; Q586-P588 WeakPolarHBondContact O-CD 3.47Å
589K77Confident78.2Confident86 Ų8635.8 Ų35.837%0.37418%0.177SC..PPolyproline II helixtrans-67.3132.3167.6-65.3178.8-177.4173.80108N175N175-K589 PolarHBondContact OD1-NZ 3.45Å
590S68Low78.3Confident22 Ų2233.9 Ų33.915%0.15417%0.168CC..PPolyproline II helixtrans-82.7124.8174.284.20000109.2E123E123-S590 VanDerWaalsContact CD-OG 3.23Å; E123-S590 WeakPolarHBondContact OE2-CB 3.34Å; E123-S590 PolarHBondContact OE2-OG 3.19Å
591N66.2Low78.4Confident76 Ų7633.9 Ų33.941%0.40617%0.169SC..PPolyproline II helixtrans-94.7142172-74.3-9.7000109L593N591-L593 PolarHBondContact O-N 2.84Å
592L61.5Low78.5Confident46 Ų4637.4 Ų37.424%0.24119%0.187CC..PPolyproline II helixtrans-63.9128.3174.4-76.3153.2000109.6W120 F304 L594W120-L592 HydrophobicContact CZ2-CD2 4.16Å; W120-L592 VanDerWaalsContact NE1-CD2 3.31Å; F304-L592 HydrophobicContact CD1-CD1 4.21Å; F304-L592 HydrophobicContact CE1-CB 4.49Å; F304-L592 HydrophobicContact CE1-CD1 3.96Å; F304-L592 HydrophobicContact CE1-CD2 4.36Å; L592-L594 PolarHBondContact O-N 3.14Å
593L62.9Low78.8Confident20 Ų2037.6 Ų37.611%0.10519%0.188CC..  trans-69.895.5175.7-161.8161.4000109.8D211 F215 V284 W287 N591D211-L593 HydrophobicContact CB-CB 4.25Å; D211-L593 HydrophobicContact CB-CD1 3.93Å; D211-L593 HydrophobicContact CB-CG 4.4Å; D211-L593 WeakPolarHBondContact OD2-CB 3.3Å; F215-L593 HydrophobicContact CE2-CD1 3.64Å; F215-L593 HydrophobicContact CE2-CG 3.97Å; F215-L593 HydrophobicContact CZ-CD1 3.82Å; F215-L593 HydrophobicContact CZ-CG 4.31Å; V284-L593 HydrophobicContact CB-CD2 4.32Å; V284-L593 HydrophobicContact CG1-CD2 3.9Å; V284-L593 HydrophobicContact CG2-CD2 4.21Å; W287-L593 HydrophobicContact CB-CD1 3.86Å; W287-L593 HydrophobicContact CE3-CD1 3.92Å; N591-L593 PolarHBondContact O-N 2.84Å
594L59.9Low79.2Confident49 Ų4933.2 Ų33.226%0.25717%0.172SC..  trans-87.3138.8171.9-72153.9000109.5A297 F304 L592 G596A297-L594 HydrophobicContact CB-CD2 4.45Å; F304-L594 HydrophobicContact CB-CD2 4.11Å; F304-L594 HydrophobicContact CD1-CD2 3.95Å; F304-L594 HydrophobicContact CD2-CD2 4.5Å; F304-L594 HydrophobicContact CG-CD2 3.91Å; L592-L594 PolarHBondContact O-N 3.14Å; L594-G596 PolarHBondContact O-N 2.84Å
595R57.1Low79.5Confident66 Ų6634.1 Ų34.125%0.24918%0.181CC..SBendtrans-6971.4171.2-75.6-177.8170.5176.8-2.9110.4V284 D285 E294 N298V284-R595 HydrophobicContact CG1-CG 3.88Å; D285-R595 IonicContact OD1-NH2 2.82Å; D285-R595 PolarHBondContact OD1-NH2 3.09Å; E294-R595 IonicContact OE1-CZ 3.83Å; E294-R595 IonicContact OE1-NH1 3.54Å; E294-R595 PolarHBondContact OE1-NH1 3.28Å; E294-R595 IonicContact OE1-NH2 3.13Å; E294-R595 PolarHBondContact OE1-NH2 2.79Å; E294-R595 IonicContact OE2-NH2 3.87Å; N298-R595 PolarHBondContact ND2-NH1 2.8Å
596G65Low79.8Confident22 Ų2237 Ų3723%0.22720%0.195CC..  trans-123157.4170.900000111.3Y280 L594 S598Y280-G596 PolarHBondContact OH-O 2.92Å; L594-G596 PolarHBondContact O-N 2.84Å; G596-S598 PolarHBondContact O-N 2.95Å
597Q65.9Low80.2Confident114 Ų11436 Ų3653%0.53319%0.19SC..  trans-63.3132.5167.8-173.4172.74.400109L601Q597-L601 HydrophobicContact CG-CD2 4.42Å
598S83.9Confident80.6Confident24 Ų2436 Ų3617%0.16819%0.19CC..  trans-69.4132.2172.1175.90000109.4G596 W600 L601 L602G596-S598 PolarHBondContact O-N 2.95Å; S598-W600 PolarHBondContact O-N 3.24Å; S598-W600 PolarHBondContact OG-N 2.86Å; S598-L601 WeakPolarHBondContact O-CB 3.41Å; S598-L601 PolarHBondContact O-N 3.2Å; S598-L601 VanDerWaalsContact O-N 3.1Å; S598-L602 PolarHBondContact O-N 3.45Å
599I90.5Very high81.1Confident12 Ų1240.1 Ų40.16%0.06221%0.205CC..Hα-helixtrans-56.3-34.6173.7-175.659.3000111.4I442 I443 L601 L602 L603I442-I599 HydrophobicContact CD1-CG2 3.79Å; I442-I599 HydrophobicContact CG2-CG1 3.84Å; I442-I599 HydrophobicContact CG2-CG2 4.11Å; I443-I599 HydrophobicContact CD1-CD1 3.91Å; I443-I599 HydrophobicContact CG1-CD1 3.86Å; I443-I599 HydrophobicContact CG1-CG1 4.45Å; I599-L601 VanDerWaalsContact C-N 3.33Å; I599-L601 PolarHBondContact O-N 2.75Å; I599-L602 HydrophobicContact CD1-CD2 3.95Å; I599-L602 WeakPolarHBondContact O-CB 3.19Å; I599-L602 PolarHBondContact O-N 3.48Å; I599-L602 VanDerWaalsContact O-N 3.1Å; I599-L603 WeakPolarHBondContact O-CG 3.42Å; I599-L603 PolarHBondContact O-N 3.32Å
600W92.5Very high81.9Confident21 Ų2139.1 Ų39.18%0.0820%0.203CC..Hα-helixtrans-64.2-36.9178.3-53.2114.9000112.8I442 F538 Y541 L542 V545 S598 L602 L603 L604I442-W600 HydrophobicContact CD1-CZ2 3.97Å; I442-W600 HydrophobicContact CG1-CZ2 4.43Å; I442-W600 HydrophobicContact CG2-CH2 4.02Å; I442-W600 HydrophobicContact CG2-CZ2 4.28Å; I442-W600 HydrophobicContact CG2-CZ3 4.16Å; F538-W600 AromaticContact CD2-CH2 3.33Å; F538-W600 HydrophobicContact CD2-CH2 3.33Å; F538-W600 AromaticContact CD2-CZ2 3.7Å; F538-W600 HydrophobicContact CD2-CZ2 3.7Å; F538-W600 AromaticContact CE2-CH2 3.55Å; F538-W600 HydrophobicContact CE2-CH2 3.55Å; F538-W600 HydrophobicContact CE2-CZ2 4.3Å; F538-W600 HydrophobicContact CE2-CZ3 4.37Å; F538-W600 HydrophobicContact CG-CH2 4.22Å; F538-W600 WeakPolarHBondContact O-CH2 3.26Å; Y541-W600 VanDerWaalsContact CB-CD2 3.42Å; Y541-W600 HydrophobicContact CD1-CB 4.33Å; Y541-W600 AromaticContact CD1-CD1 3.69Å; Y541-W600 HydrophobicContact CD1-CD2 4.19Å; Y541-W600 AromaticContact CD1-CG 3.82Å; Y541-W600 HydrophobicContact CD1-CG 3.82Å; Y541-W600 AromaticContact CD1-NE1 3.98Å; Y541-W600 AromaticContact CD2-CE2 3.91Å; Y541-W600 HydrophobicContact CD2-CZ2 4.25Å; Y541-W600 AromaticContact CD2-NE1 3.52Å; Y541-W600 HydrophobicContact CE1-CG 4.46Å; Y541-W600 AromaticContact CG-CD1 3.7Å; Y541-W600 AromaticContact CG-CD2 3.88Å; Y541-W600 HydrophobicContact CG-CD2 3.88Å; Y541-W600 AromaticContact CG-CE2 3.58Å; Y541-W600 AromaticContact CG-CG 3.95Å; Y541-W600 HydrophobicContact CG-CG 3.95Å; Y541-W600 HydrophobicContact CG-CZ2 4.06Å; Y541-W600 AromaticContact CG-NE1 3.48Å; L542-W600 HydrophobicContact CB-CH2 4.12Å; L542-W600 HydrophobicContact CB-CZ3 4.14Å; V545-W600 HydrophobicContact CG2-CE3 3.96Å; S598-W600 PolarHBondContact O-N 3.24Å; S598-W600 PolarHBondContact OG-N 2.86Å; W600-L602 VanDerWaalsContact C-N 3.32Å; W600-L603 HydrophobicContact CE3-CD1 3.92Å; W600-L603 HydrophobicContact CZ3-CD1 4.13Å; W600-L603 PolarHBondContact O-N 3.39Å; W600-L604 WeakPolarHBondContact O-CG 3.39Å; W600-L604 PolarHBondContact O-N 2.92Å
601L93.4Very high83.2Confident9 Ų938 Ų385%0.04720%0.196CC..Hα-helixtrans-67.2-35.7174.3-178.767.9000111.4W276 Q277 Q597 S598 I599 G605W276-L601 HydrophobicContact CG-CD1 4.39Å; Q277-L601 HydrophobicContact CB-CD1 4.1Å; Q277-L601 HydrophobicContact CB-CD2 3.79Å; Q277-L601 HydrophobicContact CG-CD2 3.69Å; Q597-L601 HydrophobicContact CG-CD2 4.42Å; S598-L601 WeakPolarHBondContact O-CB 3.41Å; S598-L601 PolarHBondContact O-N 3.2Å; S598-L601 VanDerWaalsContact O-N 3.1Å; I599-L601 VanDerWaalsContact C-N 3.33Å; I599-L601 PolarHBondContact O-N 2.75Å; L601-G605 PolarHBondContact O-N 2.96Å
602L93.5Very high84.6Confident74 Ų7434.5 Ų34.539%0.38718%0.177SC..Hα-helixtrans-63-45.5173.4176.566.3000110.9S598 I599 W600 G605 I606S598-L602 PolarHBondContact O-N 3.45Å; I599-L602 HydrophobicContact CD1-CD2 3.95Å; I599-L602 WeakPolarHBondContact O-CB 3.19Å; I599-L602 PolarHBondContact O-N 3.48Å; I599-L602 VanDerWaalsContact O-N 3.1Å; W600-L602 VanDerWaalsContact C-N 3.32Å; L602-G605 PolarHBondContact O-N 3.39Å; L602-I606 HydrophobicContact CD1-CD1 4.25Å; L602-I606 HydrophobicContact CD1-CG1 4.42Å; L602-I606 HydrophobicContact CG-CD1 4Å; L602-I606 WeakPolarHBondContact O-CG1 3.35Å; L602-I606 PolarHBondContact O-N 2.87Å
603L95.2Very high86.1Confident5 Ų536.2 Ų36.23%0.02619%0.186CC..Hα-helixtrans-63-45.1179.2-64-179.6000112.3I442 F446 V545 I599 W600 G605 I606 Q607I442-L603 HydrophobicContact CG2-CD1 4.23Å; F446-L603 HydrophobicContact CB-CD1 4.25Å; F446-L603 HydrophobicContact CD1-CD1 4.14Å; F446-L603 HydrophobicContact CD1-CD2 3.65Å; F446-L603 HydrophobicContact CD1-CG 4.45Å; F446-L603 HydrophobicContact CD2-CD1 4.08Å; F446-L603 HydrophobicContact CE1-CD2 3.8Å; F446-L603 HydrophobicContact CE2-CD1 4.48Å; F446-L603 HydrophobicContact CG-CD1 3.88Å; F446-L603 HydrophobicContact CG-CD2 4.25Å; V545-L603 HydrophobicContact CG1-CB 3.92Å; I599-L603 WeakPolarHBondContact O-CG 3.42Å; I599-L603 PolarHBondContact O-N 3.32Å; W600-L603 HydrophobicContact CE3-CD1 3.92Å; W600-L603 HydrophobicContact CZ3-CD1 4.13Å; W600-L603 PolarHBondContact O-N 3.39Å; L603-G605 VanDerWaalsContact C-N 3.28Å; L603-G605 PolarHBondContact O-N 2.99Å; L603-I606 PolarHBondContact O-N 3.49Å; L603-Q607 WeakPolarHBondContact O-CG 3.1Å; L603-Q607 PolarHBondContact O-N 3.06Å
604L95.4Very high87.6Confident3 Ų336.2 Ų36.22%0.01619%0.186CC..Hα-helixtrans-59.3-40.7173.1-69.3170000111.5W219 T273 V545 H548 W600 Q607 A608W219-L604 HydrophobicContact CH2-CD1 3.74Å; W219-L604 HydrophobicContact CZ2-CD1 3.61Å; W219-L604 HydrophobicContact CZ2-CD2 4.14Å; W219-L604 HydrophobicContact CZ3-CD1 4.46Å; T273-L604 HydrophobicContact CG2-CB 3.99Å; V545-L604 HydrophobicContact CG2-CD2 4.11Å; V545-L604 HydrophobicContact CG2-CG 4.17Å; H548-L604 HydrophobicContact CB-CD2 3.75Å; W600-L604 WeakPolarHBondContact O-CG 3.39Å; W600-L604 PolarHBondContact O-N 2.92Å; L604-Q607 PolarHBondContact O-N 2.98Å; L604-A608 PolarHBondContact O-N 3.25Å
605G94.4Very high89.2Confident19 Ų1933.9 Ų33.920%0.19617%0.174CC..Hα-helixtrans-61-46.2174.800000112.6L601 L602 L603 Q607 A608 W609L601-G605 PolarHBondContact O-N 2.96Å; L602-G605 PolarHBondContact O-N 3.39Å; L603-G605 VanDerWaalsContact C-N 3.28Å; L603-G605 PolarHBondContact O-N 2.99Å; G605-Q607 VanDerWaalsContact C-N 3.35Å; G605-Q607 PolarHBondContact O-N 3.47Å; G605-A608 PolarHBondContact O-N 3.5Å; G605-W609 PolarHBondContact O-N 3.45Å; G605-W609 VanDerWaalsContact O-N 3.13Å
606I95Very high90.9Very high76 Ų7630.7 Ų30.739%0.3916%0.162SC..Hα-helixtrans-60.7-44.5176.7-69166.2000110.6L602 L603 A608 W609 L610L602-I606 HydrophobicContact CD1-CD1 4.25Å; L602-I606 HydrophobicContact CD1-CG1 4.42Å; L602-I606 HydrophobicContact CG-CD1 4Å; L602-I606 WeakPolarHBondContact O-CG1 3.35Å; L602-I606 PolarHBondContact O-N 2.87Å; L603-I606 PolarHBondContact O-N 3.49Å; I606-A608 PolarHBondContact O-N 2.94Å; I606-W609 PolarHBondContact O-N 3.33Å; I606-L610 HydrophobicContact CG2-CD1 3.86Å; I606-L610 HydrophobicContact CG2-CG 4.27Å; I606-L610 WeakPolarHBondContact O-CG 3.36Å; I606-L610 PolarHBondContact O-N 2.86Å
607Q95.6Very high92.1Very high1 Ų130.2 Ų30.21%0.00516%0.158CC..Hα-helixtrans-63.7-39177.1-72.6175.3-47.500112.6Y454 V545 V552 L603 L604 G605 W609 L610 S611Y454-Q607 PolarHBondContact OH-NE2 3.47Å; V545-Q607 PolarHBondContact O-NE2 2.8Å; V545-Q607 PolarHBondContact O-OE1 3.44Å; V552-Q607 HydrophobicContact CG2-CB 4.34Å; L603-Q607 WeakPolarHBondContact O-CG 3.1Å; L603-Q607 PolarHBondContact O-N 3.06Å; L604-Q607 PolarHBondContact O-N 2.98Å; G605-Q607 VanDerWaalsContact C-N 3.35Å; G605-Q607 PolarHBondContact O-N 3.47Å; Q607-W609 VanDerWaalsContact C-N 3.3Å; Q607-W609 PolarHBondContact O-N 2.96Å; Q607-L610 PolarHBondContact O-N 3.33Å; Q607-S611 WeakPolarHBondContact O-CB 3.44Å; Q607-S611 PolarHBondContact O-N 2.92Å
608A95.1Very high93.4Very high2 Ų225 Ų252%0.01713%0.133CC..Hα-helixtrans-60.4-39.9174.500000111.7A269 T273 L604 G605 I606 S611A269-A608 HydrophobicContact CB-CB 3.94Å; T273-A608 HydrophobicContact CG2-CB 3.97Å; L604-A608 PolarHBondContact O-N 3.25Å; G605-A608 PolarHBondContact O-N 3.5Å; I606-A608 PolarHBondContact O-N 2.94Å; A608-S611 WeakPolarHBondContact O-CB 3.37Å; A608-S611 PolarHBondContact O-N 3.3Å; A608-S611 PolarHBondContact O-OG 2.92Å
609W94.7Very high93.6Very high95 Ų9524.2 Ų24.236%0.3613%0.127SC..Hα-helixtrans-70.2-43.2173.9-72.8109.3000112.9G605 I606 Q607 S611 V612 I646 A649 L650G605-W609 PolarHBondContact O-N 3.45Å; G605-W609 VanDerWaalsContact O-N 3.13Å; I606-W609 PolarHBondContact O-N 3.33Å; Q607-W609 VanDerWaalsContact C-N 3.3Å; Q607-W609 PolarHBondContact O-N 2.96Å; W609-S611 PolarHBondContact O-N 3.29Å; W609-V612 WeakPolarHBondContact O-CB 3.4Å; W609-V612 PolarHBondContact O-N 3.01Å; W609-V612 VanDerWaalsContact O-N 3.14Å; W609-I646 HydrophobicContact CZ3-CG2 4.47Å; W609-A649 HydrophobicContact CH2-CB 4.09Å; W609-A649 HydrophobicContact CZ3-CB 3.89Å; W609-L650 HydrophobicContact CH2-CD2 3.67Å; W609-L650 HydrophobicContact CH2-CG 3.91Å; W609-L650 HydrophobicContact CZ2-CD2 4.35Å; W609-L650 HydrophobicContact CZ3-CG 4.45Å
610L95Very high93.5Very high65 Ų6524.3 Ų24.334%0.3413%0.128SC..Hα-helixtrans-61.6-27.6174.8-73.2173.5000112.4L553 I606 Q607 V612 L613 T614L553-L610 HydrophobicContact CD2-CB 3.62Å; I606-L610 HydrophobicContact CG2-CD1 3.86Å; I606-L610 HydrophobicContact CG2-CG 4.27Å; I606-L610 WeakPolarHBondContact O-CG 3.36Å; I606-L610 PolarHBondContact O-N 2.86Å; Q607-L610 PolarHBondContact O-N 3.33Å; L610-V612 PolarHBondContact O-N 3.39Å; L610-L613 PolarHBondContact O-N 3.41Å; L610-T614 WeakPolarHBondContact O-CB 3.12Å; L610-T614 WeakPolarHBondContact O-CG2 3.24Å; L610-T614 PolarHBondContact O-N 2.9Å; L610-T614 PolarHBondContact O-OG1 3.39Å
611S95.3Very high93.2Very high0 Ų024.6 Ų24.60%013%0.132CC..Hα-helixtrans-61.1-31.8176.182.30000112.6V552 Q607 A608 W609 T614 N615V552-S611 WeakPolarHBondContact O-CB 3.41Å; Q607-S611 WeakPolarHBondContact O-CB 3.44Å; Q607-S611 PolarHBondContact O-N 2.92Å; A608-S611 WeakPolarHBondContact O-CB 3.37Å; A608-S611 PolarHBondContact O-N 3.3Å; A608-S611 PolarHBondContact O-OG 2.92Å; W609-S611 PolarHBondContact O-N 3.29Å; S611-T614 VanDerWaalsContact CA-OG1 3.32Å; S611-T614 WeakPolarHBondContact CA-OG1 3.27Å; S611-T614 PolarHBondContact O-OG1 3.45Å; S611-N615 WeakPolarHBondContact O-CB 3.48Å; S611-N615 PolarHBondContact O-N 2.88Å; S611-N615 VanDerWaalsContact O-N 3.1Å; S611-N615 PolarHBondContact O-ND2 2.85Å
612V94.5Very high92.8Very high2 Ų224.8 Ų24.81%0.01213%0.133CC..Hα-helixtrans-65-52.8176.5-177.90000109.7I266 W609 L610 A616 E642 L645 I646I266-V612 HydrophobicContact CG2-CG2 3.65Å; W609-V612 WeakPolarHBondContact O-CB 3.4Å; W609-V612 PolarHBondContact O-N 3.01Å; W609-V612 VanDerWaalsContact O-N 3.14Å; L610-V612 PolarHBondContact O-N 3.39Å; V612-A616 WeakPolarHBondContact O-CB 3.32Å; V612-A616 PolarHBondContact O-N 2.95Å; V612-E642 HydrophobicContact CG1-CG 4.41Å; V612-L645 HydrophobicContact CG1-CB 3.7Å; V612-L645 HydrophobicContact CG1-CD1 4.35Å; V612-I646 HydrophobicContact CG1-CG1 3.9Å
613L93.2Very high92.3Very high81 Ų8122.6 Ų22.642%0.42412%0.122SC..Hα-helixtrans-61.2-48.3-178.7-17772.8000111.4L610 G617 F638 E642L610-L613 PolarHBondContact O-N 3.41Å; L613-G617 PolarHBondContact O-N 3.05Å; L613-F638 HydrophobicContact CD1-CZ 3.9Å; L613-E642 WeakPolarHBondContact CD1-OE1 3.17Å
614T94Very high91.8Very high20 Ų2028.4 Ų28.412%0.12315%0.148CC..Hα-helixtrans-67.8-49.8-17446.60000112.1F462 L553 L610 S611 A616 G617 L618F462-T614 HydrophobicContact CZ-CG2 4.11Å; L553-T614 HydrophobicContact CD2-CG2 4.29Å; L553-T614 WeakPolarHBondContact O-CB 3.33Å; L553-T614 PolarHBondContact O-OG1 2.9Å; L553-T614 VanDerWaalsContact O-OG1 3.13Å; L610-T614 WeakPolarHBondContact O-CB 3.12Å; L610-T614 WeakPolarHBondContact O-CG2 3.24Å; L610-T614 PolarHBondContact O-N 2.9Å; L610-T614 PolarHBondContact O-OG1 3.39Å; S611-T614 VanDerWaalsContact CA-OG1 3.32Å; S611-T614 WeakPolarHBondContact CA-OG1 3.27Å; S611-T614 PolarHBondContact O-OG1 3.45Å; T614-A616 PolarHBondContact O-N 3.21Å; T614-G617 PolarHBondContact O-N 3.44Å; T614-L618 VanDerWaalsContact O-CG 3.27Å; T614-L618 WeakPolarHBondContact O-CG 3.48Å; T614-L618 PolarHBondContact O-N 3.45Å
615N93.9Very high90.9Very high0 Ų034.5 Ų34.50%017%0.171CC..Hα-helixtrans-69.4-34.7179.5-69.8-75.2000112.8T262 I266 V552 A555 Y556 S611 G617 L619T262-N615 HydrophobicContact CG2-CB 4.45Å; I266-N615 HydrophobicContact CD1-CB 3.82Å; I266-N615 HydrophobicContact CG1-CB 4.33Å; V552-N615 PolarHBondContact O-ND2 3.06Å; A555-N615 WeakPolarHBondContact CB-OD1 3.5Å; A555-N615 PolarHBondContact N-OD1 2.78Å; A555-N615 VanDerWaalsContact N-OD1 3.15Å; Y556-N615 PolarHBondContact N-OD1 3.24Å; Y556-N615 VanDerWaalsContact N-OD1 3.12Å; S611-N615 WeakPolarHBondContact O-CB 3.48Å; S611-N615 PolarHBondContact O-N 2.88Å; S611-N615 VanDerWaalsContact O-N 3.1Å; S611-N615 PolarHBondContact O-ND2 2.85Å; N615-G617 VanDerWaalsContact C-N 3.33Å; N615-L619 VanDerWaalsContact O-CB 3.23Å; N615-L619 WeakPolarHBondContact O-CB 3.36Å; N615-L619 PolarHBondContact O-N 3.49Å
616A92.6Very high90.1Very high0 Ų035.4 Ų35.40%017%0.171CC..Hα-helixtrans-61.3-43.7172.800000111.2V612 T614 I620 F638 F641 E642V612-A616 WeakPolarHBondContact O-CB 3.32Å; V612-A616 PolarHBondContact O-N 2.95Å; T614-A616 PolarHBondContact O-N 3.21Å; A616-I620 WeakPolarHBondContact O-CG1 3.48Å; A616-I620 PolarHBondContact O-N 2.92Å; A616-F638 HydrophobicContact CB-CD2 4.22Å; A616-F638 HydrophobicContact CB-CE2 3.88Å; A616-F641 HydrophobicContact CB-CD1 3.88Å; A616-F641 HydrophobicContact CB-CE1 4.15Å; A616-E642 HydrophobicContact CB-CB 4.45Å
617G91.5Very high89.2Confident12 Ų1240.2 Ų40.212%0.12419%0.192CC..Hα-helixtrans-67.4-44.6177.900000113L613 T614 N615 L619 I620 S621L613-G617 PolarHBondContact O-N 3.05Å; T614-G617 PolarHBondContact O-N 3.44Å; N615-G617 VanDerWaalsContact C-N 3.33Å; G617-L619 VanDerWaalsContact C-N 3.33Å; G617-L619 PolarHBondContact O-N 3.46Å; G617-I620 PolarHBondContact O-N 2.94Å; G617-S621 WeakPolarHBondContact O-CB 3.46Å; G617-S621 PolarHBondContact O-N 3.38Å
618L92Very high87.9Confident5 Ų543.8 Ų43.83%0.02621%0.21CC..Hα-helixtrans-61.1-42.4177.9-71174.1000111.9G461 F462 L470 F554 Y556 T614 I620 S621 E622G461-L618 VanDerWaalsContact C-CD2 3.46Å; G461-L618 VanDerWaalsContact CA-CD2 3.43Å; F462-L618 HydrophobicContact CD1-CD2 4.16Å; F462-L618 HydrophobicContact CE1-CD2 3.99Å; F462-L618 HydrophobicContact CE1-CG 3.9Å; F462-L618 HydrophobicContact CE2-CD2 4.5Å; F462-L618 HydrophobicContact CG-CD2 4.47Å; F462-L618 HydrophobicContact CZ-CD2 4.14Å; F462-L618 HydrophobicContact CZ-CG 4.01Å; L470-L618 HydrophobicContact CD2-CD1 4.34Å; L470-L618 HydrophobicContact CD2-CD2 4.13Å; F554-L618 HydrophobicContact CD1-CD1 4.06Å; Y556-L618 HydrophobicContact CD1-CB 4.09Å; Y556-L618 HydrophobicContact CG-CB 4.36Å; T614-L618 VanDerWaalsContact O-CG 3.27Å; T614-L618 WeakPolarHBondContact O-CG 3.48Å; T614-L618 PolarHBondContact O-N 3.45Å; L618-I620 VanDerWaalsContact C-N 3.32Å; L618-I620 PolarHBondContact O-N 3.02Å; L618-S621 PolarHBondContact O-N 3.43Å; L618-E622 PolarHBondContact O-N 3.18Å
619L89.5Confident86.6Confident6 Ų645.9 Ų45.93%0.03122%0.22CC..Hα-helixtrans-64.3-39.2179.3-175.7137.1000111.8L259 N615 G617 E622 I623 F641L259-L619 HydrophobicContact CB-CD1 3.96Å; L259-L619 HydrophobicContact CD1-CD1 3.38Å; L259-L619 HydrophobicContact CG-CD1 4.23Å; N615-L619 VanDerWaalsContact O-CB 3.23Å; N615-L619 WeakPolarHBondContact O-CB 3.36Å; N615-L619 PolarHBondContact O-N 3.49Å; G617-L619 VanDerWaalsContact C-N 3.33Å; G617-L619 PolarHBondContact O-N 3.46Å; L619-E622 PolarHBondContact O-N 3.28Å; L619-I623 HydrophobicContact CD2-CD1 3.44Å; L619-I623 VanDerWaalsContact CD2-CD1 3.44Å; L619-I623 HydrophobicContact CD2-CG1 4.31Å; L619-I623 HydrophobicContact CG-CD1 4.32Å; L619-I623 WeakPolarHBondContact O-CG1 3.37Å; L619-I623 PolarHBondContact O-N 2.9Å; L619-F641 HydrophobicContact CD2-CE1 4.42Å
620I88.4Confident85.2Confident15 Ų1547.2 Ų47.28%0.07724%0.239CC..Hα-helixtrans-78.6-33-178-72.9175.7000112.2A616 G617 L618 E622 I623 H624 A634 I637 F638A616-I620 WeakPolarHBondContact O-CG1 3.48Å; A616-I620 PolarHBondContact O-N 2.92Å; G617-I620 PolarHBondContact O-N 2.94Å; L618-I620 VanDerWaalsContact C-N 3.32Å; L618-I620 PolarHBondContact O-N 3.02Å; I620-E622 VanDerWaalsContact C-N 3.25Å; I620-E622 PolarHBondContact O-N 3.5Å; I620-I623 PolarHBondContact O-N 2.96Å; I620-H624 VanDerWaalsContact O-CB 3.28Å; I620-H624 WeakPolarHBondContact O-CB 3.37Å; I620-H624 PolarHBondContact O-N 3.38Å; I620-A634 HydrophobicContact CG2-CB 4.08Å; I620-I637 HydrophobicContact CD1-CG2 4.04Å; I620-F638 HydrophobicContact CD1-CB 3.3Å; I620-F638 HydrophobicContact CD1-CD2 3.85Å; I620-F638 HydrophobicContact CD1-CG 4.04Å; I620-F638 VanDerWaalsContact CD1-N 3.27Å; I620-F638 HydrophobicContact CG2-CB 4.44Å
621S86Confident84.1Confident26 Ų2651.1 Ų51.118%0.18226%0.261CS..Hα-helixtrans-54.9-44.7168.1-163.50000110.8A465 G617 L618 R625A465-S621 WeakPolarHBondContact CB-OG 3.35Å; G617-S621 WeakPolarHBondContact O-CB 3.46Å; G617-S621 PolarHBondContact O-N 3.38Å; L618-S621 PolarHBondContact O-N 3.43Å; S621-R625 WeakPolarHBondContact O-CB 3.4Å; S621-R625 PolarHBondContact O-N 3.28Å
622E83.5Confident83.2Confident13 Ų1354.8 Ų54.86%0.06128%0.283CS..Hα-helixtrans-67.3-47.7174.7-177.379.8163.800112.8Y556 L618 L619 I620 H624 R625 L626Y556-E622 HydrophobicContact CE1-CB 4.29Å; Y556-E622 WeakPolarHBondContact OH-CB 3.48Å; Y556-E622 WeakPolarHBondContact OH-CG 3.44Å; L618-E622 PolarHBondContact O-N 3.18Å; L619-E622 PolarHBondContact O-N 3.28Å; I620-E622 VanDerWaalsContact C-N 3.25Å; I620-E622 PolarHBondContact O-N 3.5Å; E622-H624 PolarHBondContact O-N 3.19Å; E622-R625 CarbonylContact O-C 3.3Å; E622-R625 WeakPolarHBondContact O-CB 3.15Å; E622-R625 PolarHBondContact O-N 2.98Å; E622-R625 IonicContact OE1-CZ 3.93Å; E622-R625 IonicContact OE1-NE 3.92Å; E622-R625 IonicContact OE1-NH2 2.75Å; E622-R625 PolarHBondContact OE1-NH2 2.94Å; E622-R625 IonicContact OE2-CZ 3.37Å; E622-R625 IonicContact OE2-NE 2.87Å; E622-R625 PolarHBondContact OE2-NE 3.46Å; E622-R625 IonicContact OE2-NH2 3.24Å; E622-R625 PolarHBondContact OE2-NH2 2.71Å; E622-R625 VanDerWaalsContact OE2-NH2 3.07Å; E622-L626 HydrophobicContact CG-CD1 3.81Å; E622-L626 HydrophobicContact CG-CG 4.14Å; E622-L626 WeakPolarHBondContact O-CG 3.24Å; E622-L626 PolarHBondContact O-N 3.01Å
623I84.3Confident82.6Confident29 Ų2958.6 Ų58.615%0.14931%0.306CS..Hα-helixtrans-57.7-40.9-179.4-74176.7000110.7L255 L619 I620 L626 E627 M628 L629L255-I623 HydrophobicContact CD1-CG1 4.31Å; L255-I623 HydrophobicContact CD2-CD1 4.48Å; L255-I623 HydrophobicContact CD2-CG1 4.01Å; L619-I623 HydrophobicContact CD2-CD1 3.44Å; L619-I623 VanDerWaalsContact CD2-CD1 3.44Å; L619-I623 HydrophobicContact CD2-CG1 4.31Å; L619-I623 HydrophobicContact CG-CD1 4.32Å; L619-I623 WeakPolarHBondContact O-CG1 3.37Å; L619-I623 PolarHBondContact O-N 2.9Å; I620-I623 PolarHBondContact O-N 2.96Å; I623-L626 PolarHBondContact O-N 3.47Å; I623-E627 PolarHBondContact O-N 3.37Å; I623-M628 HydrophobicContact CG2-CB 4.11Å; I623-M628 PolarHBondContact O-N 3.33Å; I623-L629 HydrophobicContact CG2-CD1 4.09Å; I623-L629 HydrophobicContact CG2-CD2 3.93Å; I623-L629 HydrophobicContact CG2-CG 3.74Å
624H83.2Confident82Confident126 Ų12656 Ų5658%0.58330%0.296SS*.Hα-helixtrans-63.3-45.9175.2-175.961.7000111.4I620 E622 L626 E627 L629I620-H624 VanDerWaalsContact O-CB 3.28Å; I620-H624 WeakPolarHBondContact O-CB 3.37Å; I620-H624 PolarHBondContact O-N 3.38Å; E622-H624 PolarHBondContact O-N 3.19Å; H624-L626 VanDerWaalsContact C-N 3.25Å; H624-L626 PolarHBondContact O-N 3.29Å; H624-E627 PolarHBondContact O-N 3.25Å; H624-E627 VanDerWaalsContact O-N 3.08Å; H624-L629 HydrophobicContact CB-CD1 4.38Å
625R78.1Confident81.6Confident131 Ų13158.9 Ų58.949%0.49432%0.317SS..Hα-helixtrans-61.1-32.3176.4-168.6-172.670.579.5-0.5113.1A465 S621 E622 E627A465-R625 WeakPolarHBondContact O-CD 3.26Å; S621-R625 WeakPolarHBondContact O-CB 3.4Å; S621-R625 PolarHBondContact O-N 3.28Å; E622-R625 CarbonylContact O-C 3.3Å; E622-R625 WeakPolarHBondContact O-CB 3.15Å; E622-R625 PolarHBondContact O-N 2.98Å; E622-R625 IonicContact OE1-CZ 3.93Å; E622-R625 IonicContact OE1-NE 3.92Å; E622-R625 IonicContact OE1-NH2 2.75Å; E622-R625 PolarHBondContact OE1-NH2 2.94Å; E622-R625 IonicContact OE2-CZ 3.37Å; E622-R625 IonicContact OE2-NE 2.87Å; E622-R625 PolarHBondContact OE2-NE 3.46Å; E622-R625 IonicContact OE2-NH2 3.24Å; E622-R625 PolarHBondContact OE2-NH2 2.71Å; E622-R625 VanDerWaalsContact OE2-NH2 3.07Å; R625-E627 VanDerWaalsContact C-N 3.25Å; R625-E627 PolarHBondContact O-N 2.87Å
626L77.7Confident81.2Confident39 Ų3961.6 Ų61.620%0.20433%0.334CS..THydrogen-bonded Turntrans-82.41.8178.2-67.4176.8000113.5K251 E622 I623 H624 M628K251-L626 HydrophobicContact CD-CD2 4.23Å; E622-L626 HydrophobicContact CG-CD1 3.81Å; E622-L626 HydrophobicContact CG-CG 4.14Å; E622-L626 WeakPolarHBondContact O-CG 3.24Å; E622-L626 PolarHBondContact O-N 3.01Å; I623-L626 PolarHBondContact O-N 3.47Å; H624-L626 VanDerWaalsContact C-N 3.25Å; H624-L626 PolarHBondContact O-N 3.29Å; L626-M628 HydrophobicContact CB-CB 4.45Å; L626-M628 HydrophobicContact CB-CG 3.68Å; L626-M628 PolarHBondContact O-N 3.1Å; L626-M628 VanDerWaalsContact O-N 3.07Å
627E74.4Confident80.9Confident176 Ų17664.2 Ų64.282%0.82235%0.347SS*.THydrogen-bonded Turntrans52.330.1-178.2-61.9-177.9168.700113.1I623 H624 R625 L629I623-E627 PolarHBondContact O-N 3.37Å; H624-E627 PolarHBondContact O-N 3.25Å; H624-E627 VanDerWaalsContact O-N 3.08Å; R625-E627 VanDerWaalsContact C-N 3.25Å; R625-E627 PolarHBondContact O-N 2.87Å; E627-L629 PolarHBondContact O-N 3.21Å
628M69.7Low80.8Confident77 Ų7766 Ų6638%0.37935%0.352SS..  trans-79.3-1.9-174.7-81.1-66.2-48.700113.9H252 I623 L626H252-M628 WeakPolarHBondContact CE1-CE 3.4Å; H252-M628 PolarHBondContact CE1-SD 3.32Å; H252-M628 VanDerWaalsContact ND1-CE 3.27Å; H252-M628 WeakPolarHBondContact ND1-CE 3.48Å; I623-M628 HydrophobicContact CG2-CB 4.11Å; I623-M628 PolarHBondContact O-N 3.33Å; L626-M628 HydrophobicContact CB-CB 4.45Å; L626-M628 HydrophobicContact CB-CG 3.68Å; L626-M628 PolarHBondContact O-N 3.1Å; L626-M628 VanDerWaalsContact O-N 3.07Å
629L66.6Low80.7Confident45 Ų4570.2 Ų70.224%0.23637%0.374CS..  trans-96.5107.2-174.3-67.8160.9000109.2I623 H624 E627 A634 I637I623-L629 HydrophobicContact CG2-CD1 4.09Å; I623-L629 HydrophobicContact CG2-CD2 3.93Å; I623-L629 HydrophobicContact CG2-CG 3.74Å; H624-L629 HydrophobicContact CB-CD1 4.38Å; E627-L629 PolarHBondContact O-N 3.21Å; L629-A634 HydrophobicContact CD1-CB 3.7Å; L629-I637 HydrophobicContact CD2-CD1 3.13Å
630T65.5Low80.8Confident123 Ų12375.1 Ų75.176%0.75540%0.399SS*.SBendtrans-82.9-38.5-17656.80000113.2
631D71.5Confident80.9Confident148 Ų14876.4 Ų76.479%0.79140%0.404SS*.SBendtrans-144.3-20.8-173.1-62-65.8000115.3
632V77.7Confident81.3Confident77 Ų7776.6 Ų76.647%0.46740%0.402SS..SBendtrans-97.6133.1-173.8-178.10000109.8A634 T636 I637V632-A634 PolarHBondContact O-N 3.03Å; V632-T636 WeakPolarHBondContact CG1-OG1 3.44Å; V632-I637 HydrophobicContact CB-CD1 3.82Å; V632-I637 HydrophobicContact CB-CG1 4.27Å; V632-I637 HydrophobicContact CG1-CD1 3.76Å; V632-I637 HydrophobicContact CG1-CG1 3.66Å
633T82.2Confident81.8Confident81 Ų8180.9 Ų80.950%0.49742%0.422SS..  trans-62134.9178.454.40000110.7S635 T636 I637T633-S635 PolarHBondContact O-N 3.35Å; T633-T636 PolarHBondContact O-N 3.33Å; T633-T636 PolarHBondContact O-OG1 3.35Å; T633-T636 WeakPolarHBondContact OG1-CG2 3.23Å; T633-T636 PolarHBondContact OG1-OG1 2.89Å; T633-I637 PolarHBondContact O-N 3.01Å
634A80.1Confident82.3Confident26 Ų2682.7 Ų82.722%0.21544%0.437CS..Hα-helixtrans-51.3-34.9179.700000113I620 L629 V632 I637 F638I620-A634 HydrophobicContact CG2-CB 4.08Å; L629-A634 HydrophobicContact CD1-CB 3.7Å; V632-A634 PolarHBondContact O-N 3.03Å; A634-I637 PolarHBondContact O-N 3.35Å; A634-F638 WeakPolarHBondContact O-CB 3.45Å; A634-F638 PolarHBondContact O-N 3.48Å
635S85Confident82.8Confident82 Ų8277 Ų7757%0.57341%0.41SS*.Hα-helixtrans-66.3-35177.754.90000113.9T633 F638 L639T633-S635 PolarHBondContact O-N 3.35Å; S635-F638 PolarHBondContact O-N 3.17Å; S635-L639 WeakPolarHBondContact O-CB 3.29Å; S635-L639 PolarHBondContact O-N 3.31Å
636T86.4Confident83.6Confident56 Ų5673 Ų7334%0.34440%0.399SS..Hα-helixtrans-75.3-37.8177.853.10000111.4V632 T633 F638 L639 I640V632-T636 WeakPolarHBondContact CG1-OG1 3.44Å; T633-T636 PolarHBondContact O-N 3.33Å; T633-T636 PolarHBondContact O-OG1 3.35Å; T633-T636 WeakPolarHBondContact OG1-CG2 3.23Å; T633-T636 PolarHBondContact OG1-OG1 2.89Å; T636-F638 VanDerWaalsContact C-N 3.31Å; T636-F638 PolarHBondContact O-N 2.93Å; T636-L639 PolarHBondContact O-N 3.37Å; T636-I640 WeakPolarHBondContact O-CB 3.41Å; T636-I640 VanDerWaalsContact O-CG1 3.24Å; T636-I640 WeakPolarHBondContact O-CG1 3.46Å; T636-I640 PolarHBondContact O-N 3.2Å
637I86.2Confident84.5Confident55 Ų5577.7 Ų77.728%0.28242%0.417SS..Hα-helixtrans-63-40.6171.1-73.7159.3000110.8I620 L629 V632 T633 A634 I640 F641I620-I637 HydrophobicContact CD1-CG2 4.04Å; L629-I637 HydrophobicContact CD2-CD1 3.13Å; V632-I637 HydrophobicContact CB-CD1 3.82Å; V632-I637 HydrophobicContact CB-CG1 4.27Å; V632-I637 HydrophobicContact CG1-CD1 3.76Å; V632-I637 HydrophobicContact CG1-CG1 3.66Å; T633-I637 PolarHBondContact O-N 3.01Å; A634-I637 PolarHBondContact O-N 3.35Å; I637-I640 PolarHBondContact O-N 3.41Å; I637-F641 WeakPolarHBondContact O-CB 3.48Å; I637-F641 PolarHBondContact O-N 2.94Å
638F88.4Confident85.4Confident49 Ų4972.9 Ų72.922%0.21540%0.396CS..Hα-helixtrans-57.8-53.9173.6175.5-91.7000111.6L613 A616 I620 A634 S635 T636 I640 F641 E642L613-F638 HydrophobicContact CD1-CZ 3.9Å; A616-F638 HydrophobicContact CB-CD2 4.22Å; A616-F638 HydrophobicContact CB-CE2 3.88Å; I620-F638 HydrophobicContact CD1-CB 3.3Å; I620-F638 HydrophobicContact CD1-CD2 3.85Å; I620-F638 HydrophobicContact CD1-CG 4.04Å; I620-F638 VanDerWaalsContact CD1-N 3.27Å; I620-F638 HydrophobicContact CG2-CB 4.44Å; A634-F638 WeakPolarHBondContact O-CB 3.45Å; A634-F638 PolarHBondContact O-N 3.48Å; S635-F638 PolarHBondContact O-N 3.17Å; T636-F638 VanDerWaalsContact C-N 3.31Å; T636-F638 PolarHBondContact O-N 2.93Å; F638-I640 VanDerWaalsContact C-N 3.34Å; F638-I640 PolarHBondContact O-N 3.43Å; F638-F641 PolarHBondContact O-N 2.95Å; F638-E642 HydrophobicContact CE1-CB 4.46Å; F638-E642 WeakPolarHBondContact CE1-OE2 3.48Å; F638-E642 HydrophobicContact CZ-CG 4.44Å; F638-E642 WeakPolarHBondContact O-CB 3.47Å; F638-E642 PolarHBondContact O-N 3.41Å
639L90.4Very high86.5Confident95 Ų9569.2 Ų69.250%0.49738%0.378SS..Hα-helixtrans-57.9-48.4-179.3-164.985.6000111S635 T636 H643S635-L639 WeakPolarHBondContact O-CB 3.29Å; S635-L639 PolarHBondContact O-N 3.31Å; T636-L639 PolarHBondContact O-N 3.37Å; L639-H643 WeakPolarHBondContact CD1-CE1 3.28Å; L639-H643 VanDerWaalsContact O-CB 3.3Å; L639-H643 WeakPolarHBondContact O-CB 3.46Å; L639-H643 VanDerWaalsContact O-CG 3.29Å; L639-H643 PolarHBondContact O-N 3.07Å; L639-H643 PolarHBondContact O-ND1 2.92Å
640I91Very high87.8Confident108 Ų10870.1 Ų70.155%0.55438%0.383SS*.Hα-helixtrans-62.9-49.8-179.3-66.7165.6000110.6T636 I637 F638 H643 C644T636-I640 WeakPolarHBondContact O-CB 3.41Å; T636-I640 VanDerWaalsContact O-CG1 3.24Å; T636-I640 WeakPolarHBondContact O-CG1 3.46Å; T636-I640 PolarHBondContact O-N 3.2Å; I637-I640 PolarHBondContact O-N 3.41Å; F638-I640 VanDerWaalsContact C-N 3.34Å; F638-I640 PolarHBondContact O-N 3.43Å; I640-H643 PolarHBondContact O-N 2.7Å; I640-C644 WeakPolarHBondContact O-CB 3.47Å; I640-C644 PolarHBondContact O-N 2.77Å; I640-C644 PolarHBondContact O-SG 3.09Å
641F91Very high89.3Confident43 Ų4366.5 Ų66.519%0.18936%0.362CS..Hα-helixtrans-63-46.7-178.3-177.7-117000111.8L259 V263 A616 L619 I637 F638 C644 L645L259-F641 HydrophobicContact CD1-CE2 3.89Å; L259-F641 HydrophobicContact CD1-CZ 3.6Å; V263-F641 HydrophobicContact CG2-CE2 4.25Å; V263-F641 HydrophobicContact CG2-CZ 3.97Å; A616-F641 HydrophobicContact CB-CD1 3.88Å; A616-F641 HydrophobicContact CB-CE1 4.15Å; L619-F641 HydrophobicContact CD2-CE1 4.42Å; I637-F641 WeakPolarHBondContact O-CB 3.48Å; I637-F641 PolarHBondContact O-N 2.94Å; F638-F641 PolarHBondContact O-N 2.95Å; F641-C644 PolarHBondContact O-N 3.48Å; F641-L645 HydrophobicContact CD1-CD1 3.93Å; F641-L645 HydrophobicContact CD2-CD1 4.46Å; F641-L645 HydrophobicContact CE1-CD1 3.47Å; F641-L645 VanDerWaalsContact CE1-CD1 3.47Å; F641-L645 HydrophobicContact CE1-CG 4.48Å; F641-L645 HydrophobicContact CE2-CD1 4.05Å; F641-L645 HydrophobicContact CE2-CG 4.27Å; F641-L645 HydrophobicContact CG-CD1 4.41Å; F641-L645 HydrophobicContact CZ-CD1 3.54Å; F641-L645 HydrophobicContact CZ-CG 4.24Å; F641-L645 WeakPolarHBondContact O-CG 3.19Å; F641-L645 PolarHBondContact O-N 3.4Å
642E94Very high90.3Very high30 Ų3060.7 Ų60.714%0.1433%0.331CS..Hα-helixtrans-58.4-50175.5-173.1-163.2-172.200111V612 L613 A616 F638 C644 L645 I646V612-E642 HydrophobicContact CG1-CG 4.41Å; L613-E642 WeakPolarHBondContact CD1-OE1 3.17Å; A616-E642 HydrophobicContact CB-CB 4.45Å; F638-E642 HydrophobicContact CE1-CB 4.46Å; F638-E642 WeakPolarHBondContact CE1-OE2 3.48Å; F638-E642 HydrophobicContact CZ-CG 4.44Å; F638-E642 WeakPolarHBondContact O-CB 3.47Å; F638-E642 PolarHBondContact O-N 3.41Å; E642-C644 VanDerWaalsContact C-N 3.35Å; E642-C644 PolarHBondContact O-N 3Å; E642-L645 PolarHBondContact O-N 3.22Å; E642-I646 HydrophobicContact CG-CD1 3.81Å; E642-I646 HydrophobicContact CG-CG1 4.39Å; E642-I646 WeakPolarHBondContact O-CB 3.42Å; E642-I646 VanDerWaalsContact O-CG1 3.27Å; E642-I646 WeakPolarHBondContact O-CG1 3.4Å; E642-I646 PolarHBondContact O-N 2.61Å
643H94.4Very high90.9Very high102 Ų10260.1 Ų60.147%0.47232%0.323SS..Hα-helixtrans-66.7-35.6-178.4-74.563.8000112.3L639 I640 I646 F647L639-H643 WeakPolarHBondContact CD1-CE1 3.28Å; L639-H643 VanDerWaalsContact O-CB 3.3Å; L639-H643 WeakPolarHBondContact O-CB 3.46Å; L639-H643 VanDerWaalsContact O-CG 3.29Å; L639-H643 PolarHBondContact O-N 3.07Å; L639-H643 PolarHBondContact O-ND1 2.92Å; I640-H643 PolarHBondContact O-N 2.7Å; H643-I646 PolarHBondContact O-N 2.99Å; H643-F647 VanDerWaalsContact O-CB 3.27Å; H643-F647 WeakPolarHBondContact O-CB 3.32Å; H643-F647 PolarHBondContact O-N 2.87Å
644C94.7Very high91.4Very high68 Ų6863.9 Ų63.946%0.45933%0.333SS..Hα-helixtrans-61.7-45.9171.8-74.60000111.3I640 F641 E642 F647 I648I640-C644 WeakPolarHBondContact O-CB 3.47Å; I640-C644 PolarHBondContact O-N 2.77Å; I640-C644 PolarHBondContact O-SG 3.09Å; F641-C644 PolarHBondContact O-N 3.48Å; E642-C644 VanDerWaalsContact C-N 3.35Å; E642-C644 PolarHBondContact O-N 3Å; C644-F647 PolarHBondContact O-N 3.07Å; C644-I648 VanDerWaalsContact O-CG1 3.29Å; C644-I648 WeakPolarHBondContact O-CG1 3.38Å; C644-I648 PolarHBondContact O-N 3.04Å
645L93.6Very high92Very high5 Ų569.5 Ų69.53%0.02636%0.358CS..Hα-helixtrans-65.7-42.2177.1-71.2174.5000112.2V263 I266 V612 F641 E642 F647 I648 A649V263-L645 HydrophobicContact CG1-CD2 4.21Å; V263-L645 HydrophobicContact CG2-CD2 4.24Å; I266-L645 HydrophobicContact CD1-CD1 3.78Å; V612-L645 HydrophobicContact CG1-CB 3.7Å; V612-L645 HydrophobicContact CG1-CD1 4.35Å; F641-L645 HydrophobicContact CD1-CD1 3.93Å; F641-L645 HydrophobicContact CD2-CD1 4.46Å; F641-L645 HydrophobicContact CE1-CD1 3.47Å; F641-L645 VanDerWaalsContact CE1-CD1 3.47Å; F641-L645 HydrophobicContact CE1-CG 4.48Å; F641-L645 HydrophobicContact CE2-CD1 4.05Å; F641-L645 HydrophobicContact CE2-CG 4.27Å; F641-L645 HydrophobicContact CG-CD1 4.41Å; F641-L645 HydrophobicContact CZ-CD1 3.54Å; F641-L645 HydrophobicContact CZ-CG 4.24Å; F641-L645 WeakPolarHBondContact O-CG 3.19Å; F641-L645 PolarHBondContact O-N 3.4Å; E642-L645 PolarHBondContact O-N 3.22Å; L645-F647 VanDerWaalsContact C-N 3.32Å; L645-F647 PolarHBondContact O-N 3.35Å; L645-I648 PolarHBondContact O-N 3.01Å; L645-A649 VanDerWaalsContact O-CB 3.27Å; L645-A649 WeakPolarHBondContact O-CB 3.41Å; L645-A649 PolarHBondContact O-N 3.29Å
646I95Very high92.4Very high49 Ų4967.7 Ų67.725%0.25134%0.342SS..Hα-helixtrans-59.3-45.6174.1-70.3170.4000110W609 V612 E642 H643 I648 A649 L650W609-I646 HydrophobicContact CZ3-CG2 4.47Å; V612-I646 HydrophobicContact CG1-CG1 3.9Å; E642-I646 HydrophobicContact CG-CD1 3.81Å; E642-I646 HydrophobicContact CG-CG1 4.39Å; E642-I646 WeakPolarHBondContact O-CB 3.42Å; E642-I646 VanDerWaalsContact O-CG1 3.27Å; E642-I646 WeakPolarHBondContact O-CG1 3.4Å; E642-I646 PolarHBondContact O-N 2.61Å; H643-I646 PolarHBondContact O-N 2.99Å; I646-I648 PolarHBondContact O-N 3.18Å; I646-A649 PolarHBondContact O-N 2.88Å; I646-L650 HydrophobicContact CG2-CD1 3.85Å; I646-L650 HydrophobicContact CG2-CG 4.27Å; I646-L650 WeakPolarHBondContact O-CB 3.41Å; I646-L650 VanDerWaalsContact O-CG 3.28Å; I646-L650 WeakPolarHBondContact O-CG 3.24Å; I646-L650 PolarHBondContact O-N 3.49Å
647F96Very high92.6Very high137 Ų13768.6 Ų68.660%0.60135%0.351SS*.Hα-helixtrans-60.7-46.9178.4179.6-99.9000111.6H643 C644 L645 A649 L650 C651H643-F647 VanDerWaalsContact O-CB 3.27Å; H643-F647 WeakPolarHBondContact O-CB 3.32Å; H643-F647 PolarHBondContact O-N 2.87Å; C644-F647 PolarHBondContact O-N 3.07Å; L645-F647 VanDerWaalsContact C-N 3.32Å; L645-F647 PolarHBondContact O-N 3.35Å; F647-A649 PolarHBondContact O-N 3.49Å; F647-L650 PolarHBondContact O-N 3.29Å; F647-C651 PolarHBondContact O-N 3.41Å; F647-C651 PolarHBondContact O-SG 3.39Å
648I94.5Very high92.8Very high74 Ų7468.4 Ų68.438%0.37935%0.35SS..Hα-helixtrans-62.8-43.5176.6-63.7164.3000110.8L267 C644 L645 I646 L650 C651 I652L267-I648 HydrophobicContact CD2-CB 4.41Å; L267-I648 HydrophobicContact CD2-CG2 3.45Å; L267-I648 VanDerWaalsContact CD2-CG2 3.45Å; C644-I648 VanDerWaalsContact O-CG1 3.29Å; C644-I648 WeakPolarHBondContact O-CG1 3.38Å; C644-I648 PolarHBondContact O-N 3.04Å; L645-I648 PolarHBondContact O-N 3.01Å; I646-I648 PolarHBondContact O-N 3.18Å; I648-L650 VanDerWaalsContact C-N 3.33Å; I648-L650 PolarHBondContact O-N 3.36Å; I648-C651 WeakPolarHBondContact O-CB 3.27Å; I648-C651 PolarHBondContact O-N 3.42Å; I648-I652 HydrophobicContact CG2-CD1 4.22Å; I648-I652 WeakPolarHBondContact O-CG1 3.28Å; I648-I652 PolarHBondContact O-N 2.92Å
649A92.8Very high92.9Very high0 Ų069.1 Ų69.10%036%0.355CS..Hα-helixtrans-61-41.4176.700000111.9V270 W609 L645 I646 F647 I652 H653V270-A649 HydrophobicContact CG2-CB 4Å; W609-A649 HydrophobicContact CH2-CB 4.09Å; W609-A649 HydrophobicContact CZ3-CB 3.89Å; L645-A649 VanDerWaalsContact O-CB 3.27Å; L645-A649 WeakPolarHBondContact O-CB 3.41Å; L645-A649 PolarHBondContact O-N 3.29Å; I646-A649 PolarHBondContact O-N 2.88Å; F647-A649 PolarHBondContact O-N 3.49Å; A649-I652 PolarHBondContact O-N 2.94Å; A649-H653 VanDerWaalsContact O-CB 3.3Å; A649-H653 WeakPolarHBondContact O-CB 3.43Å; A649-H653 PolarHBondContact O-N 2.81Å
650L94.5Very high93Very high65 Ų6564.9 Ų64.934%0.3433%0.334SS..Hα-helixtrans-63.4-44.2173.4-74.8169.7000111.4W609 I646 F647 I648 I652 H653 F654W609-L650 HydrophobicContact CH2-CD2 3.67Å; W609-L650 HydrophobicContact CH2-CG 3.91Å; W609-L650 HydrophobicContact CZ2-CD2 4.35Å; W609-L650 HydrophobicContact CZ3-CG 4.45Å; I646-L650 HydrophobicContact CG2-CD1 3.85Å; I646-L650 HydrophobicContact CG2-CG 4.27Å; I646-L650 WeakPolarHBondContact O-CB 3.41Å; I646-L650 VanDerWaalsContact O-CG 3.28Å; I646-L650 WeakPolarHBondContact O-CG 3.24Å; I646-L650 PolarHBondContact O-N 3.49Å; F647-L650 PolarHBondContact O-N 3.29Å; I648-L650 VanDerWaalsContact C-N 3.33Å; I648-L650 PolarHBondContact O-N 3.36Å; L650-I652 VanDerWaalsContact C-N 3.34Å; L650-I652 PolarHBondContact O-N 3.16Å; L650-H653 WeakPolarHBondContact O-CB 3.45Å; L650-H653 PolarHBondContact O-N 3.22Å; L650-H653 VanDerWaalsContact O-N 3.13Å; L650-F654 HydrophobicContact CB-CE2 4.43Å; L650-F654 HydrophobicContact CD2-CE2 4.13Å; L650-F654 WeakPolarHBondContact O-CD2 3.19Å; L650-F654 PolarHBondContact O-N 3.23Å
651C95.4Very high93.1Very high46 Ų4663.4 Ų63.431%0.31133%0.329SS..Hα-helixtrans-56.4-49174.6-70.50000111F647 I648 H653 F654 L655F647-C651 PolarHBondContact O-N 3.41Å; F647-C651 PolarHBondContact O-SG 3.39Å; I648-C651 WeakPolarHBondContact O-CB 3.27Å; I648-C651 PolarHBondContact O-N 3.42Å; C651-H653 VanDerWaalsContact C-N 3.3Å; C651-H653 PolarHBondContact O-N 3.22Å; C651-F654 PolarHBondContact O-N 3.03Å; C651-L655 HydrophobicContact CB-CD1 4.34Å; C651-L655 WeakPolarHBondContact O-CB 3.25Å; C651-L655 WeakPolarHBondContact O-CD1 3.32Å; C651-L655 WeakPolarHBondContact O-CG 3.26Å; C651-L655 PolarHBondContact O-N 3.49Å
652I93.2Very high93Very high26 Ų2666.4 Ų66.413%0.13335%0.352CS..Hα-helixtrans-60-43.5175.9-66.8171.7000110.7L267 V270 I271 I648 A649 L650 F654 L655 I656L267-I652 HydrophobicContact CB-CD1 4.47Å; L267-I652 HydrophobicContact CD2-CD1 3.67Å; V270-I652 HydrophobicContact CG1-CB 4.14Å; V270-I652 HydrophobicContact CG1-CG2 3.77Å; I271-I652 HydrophobicContact CD1-CD1 4.36Å; I271-I652 HydrophobicContact CG1-CD1 4.31Å; I271-I652 HydrophobicContact CG1-CG2 3.83Å; I648-I652 HydrophobicContact CG2-CD1 4.22Å; I648-I652 WeakPolarHBondContact O-CG1 3.28Å; I648-I652 PolarHBondContact O-N 2.92Å; A649-I652 PolarHBondContact O-N 2.94Å; L650-I652 VanDerWaalsContact C-N 3.34Å; L650-I652 PolarHBondContact O-N 3.16Å; I652-F654 VanDerWaalsContact C-N 3.27Å; I652-F654 PolarHBondContact O-N 2.64Å; I652-L655 PolarHBondContact O-N 2.9Å; I652-I656 HydrophobicContact CG2-CD1 3.76Å; I652-I656 HydrophobicContact CG2-CG1 4.37Å; I652-I656 PolarHBondContact O-N 3.31Å
653H91.1Very high92.8Very high66 Ų6665.3 Ų65.331%0.30635%0.347SS..Hα-helixtrans-59.6-37.3-179.2-175.390.7000112.8K274 A649 L650 C651K274-H653 VanDerWaalsContact CE-ND1 3.28Å; K274-H653 WeakPolarHBondContact CE-ND1 3.27Å; K274-H653 WeakPolarHBondContact CE-O 3.03Å; K274-H653 PolarHBondContact NZ-CE1 3.45Å; K274-H653 PolarHBondContact NZ-ND1 3.45Å; K274-H653 PolarHBondContact NZ-O 2.85Å; A649-H653 VanDerWaalsContact O-CB 3.3Å; A649-H653 WeakPolarHBondContact O-CB 3.43Å; A649-H653 PolarHBondContact O-N 2.81Å; L650-H653 WeakPolarHBondContact O-CB 3.45Å; L650-H653 PolarHBondContact O-N 3.22Å; L650-H653 VanDerWaalsContact O-N 3.13Å; C651-H653 VanDerWaalsContact C-N 3.3Å; C651-H653 PolarHBondContact O-N 3.22Å
654F92.4Very high92.6Very high160 Ų16066.2 Ų66.270%0.70235%0.346SS*.Hα-helixtrans-88.4-31178.5-70.2-62.4000113.8L650 C651 I652L650-F654 HydrophobicContact CB-CE2 4.43Å; L650-F654 HydrophobicContact CD2-CE2 4.13Å; L650-F654 WeakPolarHBondContact O-CD2 3.19Å; L650-F654 PolarHBondContact O-N 3.23Å; C651-F654 PolarHBondContact O-N 3.03Å; I652-F654 VanDerWaalsContact C-N 3.27Å; I652-F654 PolarHBondContact O-N 2.64Å
655L93Very high92.4Very high143 Ų14366.7 Ų66.775%0.74934%0.344SS*.Hα-helixtrans-70.9-38.6179.3-75.4167.8000112C651 I652 S657C651-L655 HydrophobicContact CB-CD1 4.34Å; C651-L655 WeakPolarHBondContact O-CB 3.25Å; C651-L655 WeakPolarHBondContact O-CD1 3.32Å; C651-L655 WeakPolarHBondContact O-CG 3.26Å; C651-L655 PolarHBondContact O-N 3.49Å; I652-L655 PolarHBondContact O-N 2.9Å; L655-S657 PolarHBondContact O-N 3.42Å
656I92.2Very high92Very high45 Ų4568 Ų6823%0.23136%0.355CS..SBendtrans-90.4107179.6-55.6178.9000109.2I271 K274 I652I271-I656 HydrophobicContact CG1-CD1 4.44Å; K274-I656 HydrophobicContact CB-CB 4.39Å; K274-I656 HydrophobicContact CB-CG2 3.96Å; K274-I656 HydrophobicContact CG-CB 4.42Å; K274-I656 HydrophobicContact CG-CG2 4.47Å; I652-I656 HydrophobicContact CG2-CD1 3.76Å; I652-I656 HydrophobicContact CG2-CG1 4.37Å; I652-I656 PolarHBondContact O-N 3.31Å
657S91.6Very high91.4Very high75 Ų7568.3 Ų68.352%0.52435%0.353SS..  trans-65.8134.1174.6-172.20000111.9R278 L655 I659R278-S657 VanDerWaalsContact CD-O 3.31Å; R278-S657 WeakPolarHBondContact CD-O 3.3Å; R278-S657 WeakPolarHBondContact CG-O 3.46Å; L655-S657 PolarHBondContact O-N 3.42Å; S657-I659 VanDerWaalsContact C-N 3.27Å; S657-I659 PolarHBondContact O-N 3.31Å
658D89.5Confident91Very high51 Ų5166.7 Ų66.727%0.27335%0.351SS..SBendtrans-63.6-32178.4-64.9-6.1000112.7K274 Q277 R278 I281 P660K274-D658 WeakPolarHBondContact CD-OD1 3.28Å; K274-D658 IonicContact NZ-OD1 3.48Å; K274-D658 PolarHBondContact NZ-OD1 3.16Å; K274-D658 IonicContact NZ-OD2 2.67Å; Q277-D658 VanDerWaalsContact CD-CG 3.42Å; Q277-D658 HydrophobicContact CG-CB 4.2Å; Q277-D658 PolarHBondContact NE2-OD2 2.88Å; Q277-D658 PolarHBondContact OE1-OD1 3.32Å; R278-D658 VanDerWaalsContact CG-O 3.32Å; R278-D658 WeakPolarHBondContact CG-O 3.3Å; I281-D658 HydrophobicContact CD1-CB 4.46Å; I281-D658 WeakPolarHBondContact CD1-O 3.35Å; D658-P660 WeakPolarHBondContact O-CD 3.37Å
659I90.3Very high90.6Very high63 Ų6366 Ų6632%0.32336%0.356SS..SBendtrans-100.2118.6-177.2-56.4172.5000108.8I281 S657 V663 R664I281-I659 HydrophobicContact CD1-CG1 4.31Å; I281-I659 HydrophobicContact CG2-CG2 4.46Å; S657-I659 VanDerWaalsContact C-N 3.27Å; S657-I659 PolarHBondContact O-N 3.31Å; I659-V663 HydrophobicContact CG2-CB 4.25Å; I659-V663 HydrophobicContact CG2-CG1 4.25Å; I659-R664 HydrophobicContact CG2-CB 4.05Å
660P92.2Very high90Very high7 Ų769.2 Ų69.25%0.04537%0.368CS..  trans-59.9144.5172.6-26.438.6000112.1R278 S282 D658 T662 V663 R664R278-P660 HydrophobicContact CB-CG 3.78Å; R278-P660 HydrophobicContact CG-CG 4.12Å; R278-P660 WeakPolarHBondContact O-CG 3.32Å; S282-P660 WeakPolarHBondContact OG-CG 3.36Å; D658-P660 WeakPolarHBondContact O-CD 3.37Å; P660-T662 VanDerWaalsContact C-N 3.26Å; P660-T662 PolarHBondContact O-N 3.02Å; P660-V663 HydrophobicContact CB-CG2 4.27Å; P660-V663 HydrophobicContact CG-CG2 4.43Å; P660-V663 PolarHBondContact O-N 2.8Å; P660-R664 PolarHBondContact O-N 3.37Å
661V92.8Very high89.4Confident76 Ų7669.7 Ų69.746%0.46137%0.371SS..Hα-helixtrans-54.4-43.8179.5174.70000111.5V663 R664 D665V661-V663 VanDerWaalsContact C-N 3.31Å; V661-V663 PolarHBondContact O-N 3.14Å; V661-R664 PolarHBondContact O-N 2.84Å; V661-D665 VanDerWaalsContact CG1-OD2 3.32Å; V661-D665 WeakPolarHBondContact CG1-OD2 3.37Å; V661-D665 WeakPolarHBondContact O-CB 3.44Å; V661-D665 PolarHBondContact O-N 2.82Å
662T90.8Very high88.8Confident107 Ų10774.5 Ų74.566%0.65639%0.387SS*.Hα-helixtrans-56.6-42177.751.10000113P660 A666P660-T662 VanDerWaalsContact C-N 3.26Å; P660-T662 PolarHBondContact O-N 3.02Å; T662-A666 VanDerWaalsContact O-CB 3.25Å; T662-A666 WeakPolarHBondContact O-CB 3.07Å; T662-A666 PolarHBondContact O-N 3.08Å
663V88.9Confident88.3Confident6 Ų675.7 Ų75.74%0.03640%0.401CS..Hα-helixtrans-73.6-41.6178.81770000111I281 D285 I659 P660 V661 D665 A666 R667I281-V663 HydrophobicContact CG2-CG1 3.95Å; D285-V663 HydrophobicContact CB-CG1 3.72Å; D285-V663 HydrophobicContact CB-CG2 4.24Å; I659-V663 HydrophobicContact CG2-CB 4.25Å; I659-V663 HydrophobicContact CG2-CG1 4.25Å; P660-V663 HydrophobicContact CB-CG2 4.27Å; P660-V663 HydrophobicContact CG-CG2 4.43Å; P660-V663 PolarHBondContact O-N 2.8Å; V661-V663 VanDerWaalsContact C-N 3.31Å; V661-V663 PolarHBondContact O-N 3.14Å; V663-D665 VanDerWaalsContact C-N 3.34Å; V663-D665 PolarHBondContact O-N 3.32Å; V663-A666 PolarHBondContact O-N 3.45Å; V663-R667 HydrophobicContact CG1-CG 4.47Å; V663-R667 VanDerWaalsContact O-CG 3.31Å; V663-R667 WeakPolarHBondContact O-CG 3.44Å; V663-R667 PolarHBondContact O-N 2.8Å
664R89.3Confident87.5Confident122 Ų12275.9 Ų75.946%0.4640%0.398SS..Hα-helixtrans-58.3-49.1176.5-178.4-173.765.3-1660.5110.7I659 P660 V661 R667 L668I659-R664 HydrophobicContact CG2-CB 4.05Å; P660-R664 PolarHBondContact O-N 3.37Å; V661-R664 PolarHBondContact O-N 2.84Å; R664-R667 PolarHBondContact O-N 2.93Å; R664-L668 HydrophobicContact CG-CD1 4.25Å; R664-L668 WeakPolarHBondContact O-CG 3.33Å; R664-L668 PolarHBondContact O-N 3.47Å
665D90.9Very high86.9Confident77 Ų7770.8 Ų70.841%0.41239%0.386SS..Hα-helixtrans-69-37.6-177.4-59.8-8000110.8V661 V663 R667 L668 A669V661-D665 VanDerWaalsContact CG1-OD2 3.32Å; V661-D665 WeakPolarHBondContact CG1-OD2 3.37Å; V661-D665 WeakPolarHBondContact O-CB 3.44Å; V661-D665 PolarHBondContact O-N 2.82Å; V663-D665 VanDerWaalsContact C-N 3.34Å; V663-D665 PolarHBondContact O-N 3.32Å; D665-R667 PolarHBondContact O-N 3.39Å; D665-L668 PolarHBondContact O-N 3.07Å; D665-A669 WeakPolarHBondContact O-CB 3.25Å; D665-A669 PolarHBondContact O-N 3.29Å
666A85.4Confident86.3Confident32 Ų3271.3 Ų71.326%0.26438%0.378SS..Hα-helixtrans-61.8-41.2172.800000112.7T662 V663 A669 R670T662-A666 VanDerWaalsContact O-CB 3.25Å; T662-A666 WeakPolarHBondContact O-CB 3.07Å; T662-A666 PolarHBondContact O-N 3.08Å; V663-A666 PolarHBondContact O-N 3.45Å; A666-A669 PolarHBondContact O-N 3.31Å; A666-R670 WeakPolarHBondContact O-CG 3.34Å; A666-R670 PolarHBondContact O-N 3.26Å; A666-R670 VanDerWaalsContact O-N 3.08Å
667R83.5Confident85.6Confident56 Ų5676.1 Ų76.121%0.21140%0.403CS..Hα-helixtrans-64.7-47.8175.3-72.9175-175-176.93.4111.5D285 V663 R664 D665 A669 R670 D671D285-R667 IonicContact OD1-NE 3.93Å; V663-R667 HydrophobicContact CG1-CG 4.47Å; V663-R667 VanDerWaalsContact O-CG 3.31Å; V663-R667 WeakPolarHBondContact O-CG 3.44Å; V663-R667 PolarHBondContact O-N 2.8Å; R664-R667 PolarHBondContact O-N 2.93Å; D665-R667 PolarHBondContact O-N 3.39Å; R667-A669 VanDerWaalsContact C-N 3.29Å; R667-A669 PolarHBondContact O-N 3.14Å; R667-R670 PolarHBondContact O-N 3.27Å; R667-R670 VanDerWaalsContact O-N 3.11Å; R667-D671 PolarHBondContact O-N 3.37Å
668L87.2Confident84.9Confident104 Ų10479.3 Ų79.355%0.54541%0.414SS..Hα-helixtrans-59.2-40.1176.4-70.6173.5000112R664 D665 D671 F672R664-L668 HydrophobicContact CG-CD1 4.25Å; R664-L668 WeakPolarHBondContact O-CG 3.33Å; R664-L668 PolarHBondContact O-N 3.47Å; D665-L668 PolarHBondContact O-N 3.07Å; L668-D671 PolarHBondContact O-N 3.32Å; L668-F672 WeakPolarHBondContact O-CB 3.32Å; L668-F672 PolarHBondContact O-N 3.33Å
669A86.3Confident84.2Confident59 Ų5982.5 Ų82.549%0.48843%0.431SS..Hα-helixtrans-63.3-40.2175.700000112.3D665 A666 R667 A673D665-A669 WeakPolarHBondContact O-CB 3.25Å; D665-A669 PolarHBondContact O-N 3.29Å; A666-A669 PolarHBondContact O-N 3.31Å; R667-A669 VanDerWaalsContact C-N 3.29Å; R667-A669 PolarHBondContact O-N 3.14Å; A669-A673 WeakPolarHBondContact O-CB 3.31Å; A669-A673 PolarHBondContact O-N 2.92Å
670R79.4Confident83.1Confident67 Ų6784.3 Ų84.325%0.25345%0.447SS..Hα-helixtrans-66.2-44.2174.5-69.1-179.8-156.9128.77.8111.6D285 E294 A666 R667 F672 A673 R674D285-R670 IonicContact OD1-CZ 2.72Å; D285-R670 IonicContact OD1-NH1 3.31Å; D285-R670 PolarHBondContact OD1-NH1 3.33Å; D285-R670 IonicContact OD1-NH2 3.96Å; D285-R670 IonicContact OD2-CZ 2.7Å; D285-R670 IonicContact OD2-NH1 2.72Å; D285-R670 PolarHBondContact OD2-NH1 3.42Å; D285-R670 IonicContact OD2-NH2 3.2Å; D285-R670 PolarHBondContact OD2-NH2 3.12Å; E294-R670 IonicContact OE1-NH1 2.66Å; E294-R670 WeakPolarHBondContact OE2-CD 3.48Å; E294-R670 IonicContact OE2-NE 3.47Å; E294-R670 IonicContact OE2-NH1 3.78Å; A666-R670 WeakPolarHBondContact O-CG 3.34Å; A666-R670 PolarHBondContact O-N 3.26Å; A666-R670 VanDerWaalsContact O-N 3.08Å; R667-R670 PolarHBondContact O-N 3.27Å; R667-R670 VanDerWaalsContact O-N 3.11Å; R670-F672 VanDerWaalsContact C-N 3.33Å; R670-F672 PolarHBondContact O-N 2.86Å; R670-A673 PolarHBondContact O-N 3.02Å; R670-R674 WeakPolarHBondContact O-CG 3.4Å; R670-R674 PolarHBondContact O-N 3.34Å
671D81.5Confident81.8Confident76 Ų7693.4 Ų93.441%0.40649%0.486SS..Hα-helixtrans-63.3-40.4178.2-67.3-24000111.3R667 L668 R674 A675R667-D671 PolarHBondContact O-N 3.37Å; L668-D671 PolarHBondContact O-N 3.32Å; D671-R674 PolarHBondContact O-N 3.34Å; D671-R674 IonicContact OD1-CZ 3.29Å; D671-R674 IonicContact OD1-NH1 2.75Å; D671-R674 PolarHBondContact OD1-NH1 2.93Å; D671-R674 IonicContact OD1-NH2 3.12Å; D671-A675 PolarHBondContact O-N 2.9Å
672F83.9Confident80.1Confident147 Ų14798.7 Ų98.765%0.64550%0.502SS*.Hα-helixtrans-62.2-46173.2-179.5-100.2000112.3L668 R670 R674 A675 R676L668-F672 WeakPolarHBondContact O-CB 3.32Å; L668-F672 PolarHBondContact O-N 3.33Å; R670-F672 VanDerWaalsContact C-N 3.33Å; R670-F672 PolarHBondContact O-N 2.86Å; F672-R674 VanDerWaalsContact C-N 3.29Å; F672-R674 PolarHBondContact O-N 3.3Å; F672-A675 PolarHBondContact O-N 3.2Å; F672-R676 PolarHBondContact O-N 3.09Å; F672-R676 VanDerWaalsContact O-N 3.09Å
673A81.6Confident78.5Confident51 Ų5198.9 Ų98.942%0.42150%0.499SS..Hα-helixtrans-60.3-38.317600000112.1A669 R670 R676 L677A669-A673 WeakPolarHBondContact O-CB 3.31Å; A669-A673 PolarHBondContact O-N 2.92Å; R670-A673 PolarHBondContact O-N 3.02Å; A673-R676 PolarHBondContact O-N 3.45Å; A673-L677 PolarHBondContact O-N 2.89Å
674R74.4Confident76.3Confident69 Ų69109.3 Ų109.326%0.2656%0.555SS.*Hα-helixtrans-64.7-46.4174.2-69.4177.2-153.2147.312.9112.1E294 R670 D671 F672 R676 L677 L678E294-R674 IonicContact OE1-NH2 3.64Å; E294-R674 PolarHBondContact OE1-NH2 3.24Å; E294-R674 VanDerWaalsContact OE1-NH2 3.13Å; E294-R674 IonicContact OE2-NH2 2.64Å; E294-R674 PolarHBondContact OE2-NH2 2.78Å; R670-R674 WeakPolarHBondContact O-CG 3.4Å; R670-R674 PolarHBondContact O-N 3.34Å; D671-R674 PolarHBondContact O-N 3.34Å; D671-R674 IonicContact OD1-CZ 3.29Å; D671-R674 IonicContact OD1-NH1 2.75Å; D671-R674 PolarHBondContact OD1-NH1 2.93Å; D671-R674 IonicContact OD1-NH2 3.12Å; F672-R674 VanDerWaalsContact C-N 3.29Å; F672-R674 PolarHBondContact O-N 3.3Å; R674-R676 PolarHBondContact O-N 3.47Å; R674-L677 PolarHBondContact O-N 3.43Å; R674-L677 VanDerWaalsContact O-N 3.1Å; R674-L678 PolarHBondContact O-N 3.07Å
675A80Confident75.7Confident54 Ų54108.7 Ų108.745%0.44656%0.56SS.*Hα-helixtrans-58.4-33.817800000111.9D671 F672 N679D671-A675 PolarHBondContact O-N 2.9Å; F672-A675 PolarHBondContact O-N 3.2Å; A675-N679 PolarHBondContact O-N 3.14Å
676R80.2Confident74.9Confident153 Ų153110.4 Ų110.458%0.57757%0.568SS**Hα-helixtrans-68.9-38.9175.6-163.5176-176.1-178.31.1113.1F672 A673 R674 L678 N679 D683F672-R676 PolarHBondContact O-N 3.09Å; F672-R676 VanDerWaalsContact O-N 3.09Å; A673-R676 PolarHBondContact O-N 3.45Å; R674-R676 PolarHBondContact O-N 3.47Å; R676-L678 VanDerWaalsContact C-N 3.33Å; R676-L678 PolarHBondContact O-N 3.05Å; R676-N679 CarbonylContact O-C 3.56Å; R676-N679 PolarHBondContact O-N 2.95Å; R676-D683 IonicContact CZ-OD2 3.98Å; R676-D683 IonicContact NE-OD2 3.66Å; R676-D683 PolarHBondContact NE-OD2 3.43Å; R676-D683 IonicContact NH2-OD2 3.55Å; R676-D683 PolarHBondContact NH2-OD2 2.81Å
677L77.1Confident74.3Confident146 Ų146114.7 Ų114.776%0.76459%0.585SS**Hα-helixtrans-65.9-34.3177.3-70.6171.4000112.8A673 R674A673-L677 PolarHBondContact O-N 2.89Å; R674-L677 PolarHBondContact O-N 3.43Å; R674-L677 VanDerWaalsContact O-N 3.1Å
678L77.8Confident73.7Confident143 Ų143118.2 Ų118.275%0.74961%0.607SS**Hα-helixtrans-78.6-23.5179.8-67.4171.5000113.3R674 R676 P680R674-L678 PolarHBondContact O-N 3.07Å; R676-L678 VanDerWaalsContact C-N 3.33Å; R676-L678 PolarHBondContact O-N 3.05Å; L678-P680 VanDerWaalsContact C-CD 3.4Å; L678-P680 WeakPolarHBondContact O-CD 3.44Å
679N75.5Confident72.9Confident118 Ų118119.1 Ų119.163%0.63161%0.61SS**  trans-120.568.2179.4-77.1-39.3000111.9A675 R676 K681A675-N679 PolarHBondContact O-N 3.14Å; R676-N679 CarbonylContact O-C 3.56Å; R676-N679 PolarHBondContact O-N 2.95Å; N679-K681 PolarHBondContact O-N 3.31Å
680P67.2Low72Confident100 Ų100123.1 Ų123.165%0.64962%0.619SS**G310 helixtrans-66.5-17.9179.326.6-33.9000113.4L678 K682L678-P680 VanDerWaalsContact C-CD 3.4Å; L678-P680 WeakPolarHBondContact O-CD 3.44Å; P680-K682 VanDerWaalsContact C-N 3.33Å; P680-K682 PolarHBondContact O-N 3.34Å
681K63.6Low71.5Confident199 Ų199127.1 Ų127.187%0.86565%0.645SS**G310 helixtrans-79.96.2-170.6-74-168.5176.3-176.60116.3N679N679-K681 PolarHBondContact O-N 3.31Å
682K57.7Low70.7Confident186 Ų186131 Ų13181%0.80966%0.663SS**G310 helixtrans-100.61.6-178.4-106.6-172.4178.8-1750115.8P680P680-K682 VanDerWaalsContact C-N 3.33Å; P680-K682 PolarHBondContact O-N 3.34Å
683D56.2Low69.6Low111 Ų111129.7 Ų129.759%0.59467%0.665SS**  trans-105.811.4-178.7-75-4.8000114R676R676-D683 IonicContact CZ-OD2 3.98Å; R676-D683 IonicContact NE-OD2 3.66Å; R676-D683 PolarHBondContact NE-OD2 3.43Å; R676-D683 IonicContact NH2-OD2 3.55Å; R676-D683 PolarHBondContact NH2-OD2 2.81Å
684N43.7Very low68.5Low226 Ų226136.8 Ų136.8100%1.20969%0.687SS**  trans-104.20158.4-75.30.3000108.8

Retrieved 684 of 684 residues in 1593 ms (Link to these results)

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