A0A077ZBK1_TRITR Loading...

Vacuolar protein sorting-associated protein 28 homolog

Component of the ESCRT-I complex (endosomal sorting complex required for transport I), a regulator of vesicular trafficking process. Component of the ESCRT-I complex, a regulator of vesicular trafficking process.

AlphaFold DB , UniProt , Accession A0A077ZBK1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 208 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
1M45.2Very low72.8Confident241 Ų241126.2 Ų126.2100%1.18772%0.718SS**  0110.40-74.5171.7176.900107.3S3M1-S3 PolarHBondContact O-N 2.66Å
2A53.9Low74.4Confident105 Ų105128.8 Ų128.887%0.86872%0.715SS**  trans-66.1102.5170.500000107S4A2-S4 PolarHBondContact O-N 3.23Å
3S56.5Low75.9Confident79 Ų79127.5 Ų127.555%0.55271%0.705SS**  trans-52.8108.6167150.50000106.4M1 S5 Y8M1-S3 PolarHBondContact O-N 2.66Å; S3-S5 VanDerWaalsContact C-N 3.34Å; S3-S5 PolarHBondContact O-N 3.18Å; S3-Y8 VanDerWaalsContact OG-CE2 3.26Å; S3-Y8 WeakPolarHBondContact OG-CE2 3.48Å; S3-Y8 PolarHBondContact OG-OH 3.06Å
4S64.5Low77.2Confident63 Ų63125.3 Ų125.344%0.44168%0.682SS.*  trans-62.696.5-176.5-177.90000108.5A2 A6 L7A2-S4 PolarHBondContact O-N 3.23Å; S4-A6 PolarHBondContact O-N 3.01Å; S4-L7 WeakPolarHBondContact O-CB 3.39Å; S4-L7 PolarHBondContact O-N 3.46Å
5S72Confident78.4Confident85 Ų85124.5 Ų124.559%0.59468%0.683SS**G310 helixtrans-54.8-22.9179.856.80000112.2S3 L7 Y8 N9S3-S5 VanDerWaalsContact C-N 3.34Å; S3-S5 PolarHBondContact O-N 3.18Å; S5-L7 PolarHBondContact O-N 2.73Å; S5-Y8 PolarHBondContact O-N 3.13Å; S5-N9 PolarHBondContact O-ND2 3.26Å
6A76.2Confident79.5Confident65 Ų65121.1 Ų121.154%0.53766%0.664SS.*G310 helixtrans-61.1-27.3173.600000113.7S4 Y8S4-A6 PolarHBondContact O-N 3.01Å; A6-Y8 VanDerWaalsContact C-N 3.28Å; A6-Y8 PolarHBondContact O-N 2.77Å
7L83.3Confident80.4Confident149 Ų149118.1 Ų118.178%0.7866%0.659SS**G310 helixtrans-76-14.4178.4-66.2173.6000113.5S4 S5S4-L7 WeakPolarHBondContact O-CB 3.39Å; S4-L7 PolarHBondContact O-N 3.46Å; S5-L7 PolarHBondContact O-N 2.73Å
8Y86.6Confident81.3Confident173 Ų173118.8 Ų118.868%0.67866%0.66SS**G310 helixtrans-98.3-3.1-176.9-59.7-88.1000113.3S3 S5 A6S3-Y8 VanDerWaalsContact OG-CE2 3.26Å; S3-Y8 WeakPolarHBondContact OG-CE2 3.48Å; S3-Y8 PolarHBondContact OG-OH 3.06Å; S5-Y8 PolarHBondContact O-N 3.13Å; A6-Y8 VanDerWaalsContact C-N 3.28Å; A6-Y8 PolarHBondContact O-N 2.77Å
9N83.8Confident82Confident117 Ų117115.3 Ų115.363%0.62664%0.638SS**SBendtrans-115.6134.1-179.8-66.4-51.7000110.1S5 V11S5-N9 PolarHBondContact O-ND2 3.26Å; N9-V11 PolarHBondContact O-N 2.83Å
10E88.2Confident82.8Confident180 Ų180115.6 Ų115.684%0.84163%0.629SS**PPolyproline II helixtrans-63.3127.4173.6-173.3-179.8-175.700110.2K12E10-K12 PolarHBondContact O-N 3.36Å
11V90.2Very high83.5Confident131 Ų131115.6 Ų115.679%0.79463%0.625SS**PPolyproline II helixtrans-77.7122.8177.4-178.60000108.8N9N9-V11 PolarHBondContact O-N 2.83Å
12K93Very high85.9Confident158 Ų158108 Ų10869%0.68758%0.583SS**PPolyproline II helixtrans-89.4141.3175.2-62.8-175.7179.3-1790110.4E10 Y14E10-K12 PolarHBondContact O-N 3.36Å; K12-Y14 VanDerWaalsContact C-N 3.32Å; K12-Y14 PolarHBondContact O-N 2.76Å
13L93.2Very high87.9Confident111 Ų111106.2 Ų106.258%0.58155%0.554SS**SBendtrans-64.2-39.1177.7-174.962.1000111.9Y23L13-Y23 HydrophobicContact CD1-CD1 3.96Å; L13-Y23 HydrophobicContact CD1-CD2 4.37Å; L13-Y23 HydrophobicContact CD1-CE1 3.58Å; L13-Y23 HydrophobicContact CD1-CE2 4.05Å; L13-Y23 HydrophobicContact CD1-CG 4.34Å; L13-Y23 HydrophobicContact CD2-CD1 4.02Å; L13-Y23 HydrophobicContact CD2-CD2 4.27Å; L13-Y23 HydrophobicContact CD2-CE1 4.49Å; L13-Y23 HydrophobicContact CD2-CG 3.9Å; L13-Y23 HydrophobicContact CG-CD1 3.98Å; L13-Y23 HydrophobicContact CG-CD2 3.78Å; L13-Y23 HydrophobicContact CG-CE1 4.02Å; L13-Y23 HydrophobicContact CG-CE2 3.83Å; L13-Y23 HydrophobicContact CG-CG 3.86Å; L13-Y23 WeakPolarHBondContact O-CE2 3.47Å
14Y94.9Very high89.9Confident97 Ų97106.9 Ų106.938%0.3855%0.552SS.*  trans-133.4154.417756.7-100.2000111K12 R20K12-Y14 VanDerWaalsContact C-N 3.32Å; K12-Y14 PolarHBondContact O-N 2.76Å; Y14-R20 HydrophobicContact CD1-CB 3.9Å; Y14-R20 HydrophobicContact CD1-CG 3.91Å; Y14-R20 HydrophobicContact CD2-CB 3.79Å; Y14-R20 HydrophobicContact CD2-CG 4.27Å; Y14-R20 HydrophobicContact CE1-CB 4.11Å; Y14-R20 HydrophobicContact CE1-CG 3.64Å; Y14-R20 HydrophobicContact CE2-CB 4.02Å; Y14-R20 HydrophobicContact CE2-CG 4.04Å; Y14-R20 HydrophobicContact CG-CB 3.74Å; Y14-R20 HydrophobicContact CG-CG 4.22Å
15T94.1Very high91.5Very high114 Ų114105.9 Ų105.970%0.69954%0.541SS*.SBendtrans-115.5-14.3179.561.50000113.1E19T15-E19 PolarHBondContact N-OE2 2.86Å; T15-E19 PolarHBondContact OG1-OE2 2.7Å
16N96.1Very high92.8Very high70 Ų70102.7 Ų102.737%0.37452%0.517SS..SBendtrans-145.3170.5-178.162.968.2000111.8L18 E19 R20N16-L18 VanDerWaalsContact C-N 3.35Å; N16-L18 PolarHBondContact O-N 3.49Å; N16-L18 WeakPolarHBondContact OD1-CB 3.36Å; N16-L18 PolarHBondContact OD1-N 3.36Å; N16-L18 VanDerWaalsContact OD1-N 3.17Å; N16-E19 PolarHBondContact ND2-OE1 3.18Å; N16-E19 PolarHBondContact O-N 2.84Å; N16-E19 PolarHBondContact OD1-N 2.95Å; N16-R20 PolarHBondContact O-N 3.19Å; N16-R20 VanDerWaalsContact O-N 3.13Å
17A96.1Very high93.8Very high70 Ų70102.4 Ų102.458%0.57951%0.514SS*.Hα-helixtrans-64.7-36.1-175.600000113.4R20 E21A17-R20 WeakPolarHBondContact O-CB 3.39Å; A17-R20 PolarHBondContact O-N 2.96Å; A17-E21 PolarHBondContact O-N 2.87Å
18L95.2Very high94.5Very high131 Ų131100.4 Ų100.469%0.68650%0.501SS*.Hα-helixtrans-67.2-44.6179.2178.466.1000111.3N16 R20 E21 R22N16-L18 VanDerWaalsContact C-N 3.35Å; N16-L18 PolarHBondContact O-N 3.49Å; N16-L18 WeakPolarHBondContact OD1-CB 3.36Å; N16-L18 PolarHBondContact OD1-N 3.36Å; N16-L18 VanDerWaalsContact OD1-N 3.17Å; L18-R20 VanDerWaalsContact C-N 3.29Å; L18-R20 PolarHBondContact O-N 3.03Å; L18-E21 PolarHBondContact O-N 3.22Å; L18-R22 WeakPolarHBondContact O-CB 3.31Å; L18-R22 PolarHBondContact O-N 3.05Å
19E95.8Very high95.1Very high52 Ų5292.1 Ų92.124%0.24347%0.468CS..Hα-helixtrans-61.4-39.6174.4-76.8176.5178.900111.7T15 N16 R22 Y23T15-E19 PolarHBondContact N-OE2 2.86Å; T15-E19 PolarHBondContact OG1-OE2 2.7Å; N16-E19 PolarHBondContact ND2-OE1 3.18Å; N16-E19 PolarHBondContact O-N 2.84Å; N16-E19 PolarHBondContact OD1-N 2.95Å; E19-R22 WeakPolarHBondContact O-CB 3.2Å; E19-R22 PolarHBondContact O-N 3.41Å; E19-Y23 WeakPolarHBondContact O-CD2 3.26Å; E19-Y23 PolarHBondContact O-N 3.23Å
20R97.2Very high95.8Very high120 Ų12090.9 Ų90.945%0.45346%0.455SS..Hα-helixtrans-60.4-52.5176.8-174.4177.368.7-172.30.3111.5Y14 N16 A17 L18 R22 Y23 D24Y14-R20 HydrophobicContact CD1-CB 3.9Å; Y14-R20 HydrophobicContact CD1-CG 3.91Å; Y14-R20 HydrophobicContact CD2-CB 3.79Å; Y14-R20 HydrophobicContact CD2-CG 4.27Å; Y14-R20 HydrophobicContact CE1-CB 4.11Å; Y14-R20 HydrophobicContact CE1-CG 3.64Å; Y14-R20 HydrophobicContact CE2-CB 4.02Å; Y14-R20 HydrophobicContact CE2-CG 4.04Å; Y14-R20 HydrophobicContact CG-CB 3.74Å; Y14-R20 HydrophobicContact CG-CG 4.22Å; N16-R20 PolarHBondContact O-N 3.19Å; N16-R20 VanDerWaalsContact O-N 3.13Å; A17-R20 WeakPolarHBondContact O-CB 3.39Å; A17-R20 PolarHBondContact O-N 2.96Å; L18-R20 VanDerWaalsContact C-N 3.29Å; L18-R20 PolarHBondContact O-N 3.03Å; R20-R22 PolarHBondContact O-N 3.31Å; R20-Y23 PolarHBondContact O-N 3.37Å; R20-Y23 VanDerWaalsContact O-N 3.1Å; R20-D24 VanDerWaalsContact O-CG 3.31Å; R20-D24 PolarHBondContact O-N 3.44Å
21E96.7Very high96.3Very high116 Ų11684.4 Ų84.454%0.54243%0.433SS..Hα-helixtrans-57.8-39.3178.4-178.6175.9-167.500111.9A17 L18 D24 N25A17-E21 PolarHBondContact O-N 2.87Å; L18-E21 PolarHBondContact O-N 3.22Å; E21-D24 PolarHBondContact O-N 2.81Å; E21-N25 PolarHBondContact O-N 3.27Å; E21-N25 PolarHBondContact O-ND2 3.47Å
22R96.2Very high96.7Very high81 Ų8178.8 Ų78.831%0.30640%0.398SS..Hα-helixtrans-60.5-47.4174.9-178.4175.964.9167.9-3.7112.3L18 E19 R20 D24 N25 Y26 E74L18-R22 WeakPolarHBondContact O-CB 3.31Å; L18-R22 PolarHBondContact O-N 3.05Å; E19-R22 WeakPolarHBondContact O-CB 3.2Å; E19-R22 PolarHBondContact O-N 3.41Å; R20-R22 PolarHBondContact O-N 3.31Å; R22-D24 VanDerWaalsContact C-N 3.32Å; R22-N25 PolarHBondContact O-N 3.43Å; R22-Y26 WeakPolarHBondContact CD-OH 3.44Å; R22-Y26 HydrophobicContact CG-CD2 4.5Å; R22-Y26 HydrophobicContact CG-CE1 3.82Å; R22-Y26 HydrophobicContact CG-CE2 3.78Å; R22-Y26 WeakPolarHBondContact CG-OH 3.5Å; R22-Y26 VanDerWaalsContact O-CD1 3.3Å; R22-Y26 WeakPolarHBondContact O-CD1 3.37Å; R22-Y26 VanDerWaalsContact O-CG 3.28Å; R22-Y26 PolarHBondContact O-N 3.5Å; R22-Y26 VanDerWaalsContact O-N 3.08Å; R22-E74 WeakPolarHBondContact CD-OE1 3.32Å; R22-E74 VanDerWaalsContact CD-OE2 3.31Å; R22-E74 WeakPolarHBondContact CD-OE2 3.44Å; R22-E74 IonicContact CZ-OE2 2.8Å; R22-E74 IonicContact NE-OE2 3.86Å; R22-E74 IonicContact NH1-OE2 2.84Å; R22-E74 PolarHBondContact NH1-OE2 2.94Å
23Y97.3Very high97Very high68 Ų6871.3 Ų71.327%0.26737%0.365SS..Hα-helixtrans-67.3-32.3176.4-77-67.6000112.9L13 E19 R20 Y26 A27L13-Y23 HydrophobicContact CD1-CD1 3.96Å; L13-Y23 HydrophobicContact CD1-CD2 4.37Å; L13-Y23 HydrophobicContact CD1-CE1 3.58Å; L13-Y23 HydrophobicContact CD1-CE2 4.05Å; L13-Y23 HydrophobicContact CD1-CG 4.34Å; L13-Y23 HydrophobicContact CD2-CD1 4.02Å; L13-Y23 HydrophobicContact CD2-CD2 4.27Å; L13-Y23 HydrophobicContact CD2-CE1 4.49Å; L13-Y23 HydrophobicContact CD2-CG 3.9Å; L13-Y23 HydrophobicContact CG-CD1 3.98Å; L13-Y23 HydrophobicContact CG-CD2 3.78Å; L13-Y23 HydrophobicContact CG-CE1 4.02Å; L13-Y23 HydrophobicContact CG-CE2 3.83Å; L13-Y23 HydrophobicContact CG-CG 3.86Å; L13-Y23 WeakPolarHBondContact O-CE2 3.47Å; E19-Y23 WeakPolarHBondContact O-CD2 3.26Å; E19-Y23 PolarHBondContact O-N 3.23Å; R20-Y23 PolarHBondContact O-N 3.37Å; R20-Y23 VanDerWaalsContact O-N 3.1Å; Y23-Y26 AromaticContact CD1-CD2 3.86Å; Y23-Y26 HydrophobicContact CD1-CD2 3.86Å; Y23-Y26 HydrophobicContact CD1-CE2 4.41Å; Y23-Y26 HydrophobicContact CE1-CD2 4.29Å; Y23-Y26 PolarHBondContact O-N 2.89Å; Y23-A27 WeakPolarHBondContact O-CB 3.42Å; Y23-A27 PolarHBondContact O-N 2.86Å
24D98.1Very high97.2Very high93 Ų9368.2 Ų68.250%0.49735%0.35SS..Hα-helixtrans-62.5-44.7173.8-67.8-22.9000110.5R20 E21 R22 Y26 A27 E28R20-D24 VanDerWaalsContact O-CG 3.31Å; R20-D24 PolarHBondContact O-N 3.44Å; E21-D24 PolarHBondContact O-N 2.81Å; R22-D24 VanDerWaalsContact C-N 3.32Å; D24-Y26 VanDerWaalsContact C-N 3.33Å; D24-Y26 PolarHBondContact O-N 2.79Å; D24-A27 PolarHBondContact O-N 3.31Å; D24-E28 PolarHBondContact O-N 3.04Å
25N97.9Very high97.4Very high42 Ų4267.1 Ų67.123%0.22535%0.353CS..Hα-helixtrans-62.5-38.5175-68.7-31.8000112.5E21 R22 L29 L70 V71E21-N25 PolarHBondContact O-N 3.27Å; E21-N25 PolarHBondContact O-ND2 3.47Å; R22-N25 PolarHBondContact O-N 3.43Å; N25-L29 PolarHBondContact O-N 3.14Å; N25-L70 HydrophobicContact CB-CB 4.3Å; N25-V71 HydrophobicContact CB-CG1 3.96Å
26Y98.2Very high97.6Very high19 Ų1961.7 Ų61.78%0.07532%0.32CS..Hα-helixtrans-66.4-44.1174.8-61.8-12.2000111.8R22 Y23 D24 E28 L29 Y30 V71 E74 F75 F81 F85R22-Y26 WeakPolarHBondContact CD-OH 3.44Å; R22-Y26 HydrophobicContact CG-CD2 4.5Å; R22-Y26 HydrophobicContact CG-CE1 3.82Å; R22-Y26 HydrophobicContact CG-CE2 3.78Å; R22-Y26 WeakPolarHBondContact CG-OH 3.5Å; R22-Y26 VanDerWaalsContact O-CD1 3.3Å; R22-Y26 WeakPolarHBondContact O-CD1 3.37Å; R22-Y26 VanDerWaalsContact O-CG 3.28Å; R22-Y26 PolarHBondContact O-N 3.5Å; R22-Y26 VanDerWaalsContact O-N 3.08Å; Y23-Y26 AromaticContact CD1-CD2 3.86Å; Y23-Y26 HydrophobicContact CD1-CD2 3.86Å; Y23-Y26 HydrophobicContact CD1-CE2 4.41Å; Y23-Y26 HydrophobicContact CE1-CD2 4.29Å; Y23-Y26 PolarHBondContact O-N 2.89Å; D24-Y26 VanDerWaalsContact C-N 3.33Å; D24-Y26 PolarHBondContact O-N 2.79Å; Y26-E28 VanDerWaalsContact C-N 3.27Å; Y26-E28 PolarHBondContact O-N 2.98Å; Y26-L29 PolarHBondContact O-N 3.42Å; Y26-Y30 VanDerWaalsContact O-CB 3.23Å; Y26-Y30 WeakPolarHBondContact O-CB 3.45Å; Y26-Y30 PolarHBondContact O-N 2.87Å; Y26-V71 HydrophobicContact CD1-CB 4.1Å; Y26-V71 HydrophobicContact CD1-CG1 3.56Å; Y26-V71 HydrophobicContact CE1-CB 4.02Å; Y26-V71 HydrophobicContact CE1-CG1 3.9Å; Y26-E74 PolarHBondContact OH-OE1 3.32Å; Y26-E74 PolarHBondContact OH-OE2 2.9Å; Y26-F75 HydrophobicContact CD1-CE2 4.27Å; Y26-F75 HydrophobicContact CE1-CD2 4.3Å; Y26-F75 AromaticContact CE1-CE2 3.71Å; Y26-F75 HydrophobicContact CE1-CE2 3.71Å; Y26-F75 HydrophobicContact CE2-CE2 4.31Å; Y26-F75 AromaticContact CZ-CE2 3.71Å; Y26-F81 HydrophobicContact CD1-CE2 4.18Å; Y26-F81 HydrophobicContact CG-CE2 4.28Å; Y26-F81 WeakPolarHBondContact O-CZ 3.34Å; Y26-F85 HydrophobicContact CD2-CE2 4.26Å; Y26-F85 AromaticContact CD2-CZ 3.64Å; Y26-F85 HydrophobicContact CD2-CZ 3.64Å; Y26-F85 HydrophobicContact CE2-CZ 4.17Å; Y26-F85 HydrophobicContact CG-CE2 4.35Å; Y26-F85 HydrophobicContact CG-CZ 4.12Å
27A98.2Very high97.7Very high58 Ų5858.5 Ų58.548%0.47930%0.303SS..Hα-helixtrans-60.7-40.1179.400000111.1Y23 D24 Y30 A31Y23-A27 WeakPolarHBondContact O-CB 3.42Å; Y23-A27 PolarHBondContact O-N 2.86Å; D24-A27 PolarHBondContact O-N 3.31Å; A27-Y30 WeakPolarHBondContact O-CB 3.49Å; A27-Y30 PolarHBondContact O-N 3.15Å; A27-A31 VanDerWaalsContact O-CB 3.31Å; A27-A31 WeakPolarHBondContact O-CB 3.34Å; A27-A31 PolarHBondContact O-N 3.27Å
28E98.4Very high97.9Very high107 Ų10761 Ų6150%0.530%0.302SS..Hα-helixtrans-63.9-50.3177.1-170.361.3-155.600111.8D24 Y26 Y30 A31 L32D24-E28 PolarHBondContact O-N 3.04Å; Y26-E28 VanDerWaalsContact C-N 3.27Å; Y26-E28 PolarHBondContact O-N 2.98Å; E28-Y30 VanDerWaalsContact C-N 3.32Å; E28-Y30 PolarHBondContact O-N 2.74Å; E28-A31 PolarHBondContact O-N 3.36Å; E28-L32 HydrophobicContact CG-CD1 4.21Å; E28-L32 WeakPolarHBondContact O-CG 3.36Å; E28-L32 PolarHBondContact O-N 3.22Å
29L98.5Very high98Very high0 Ų056 Ų560%028%0.276CS..Hα-helixtrans-61.7-41.8176.9-178.961.3000111.5N25 Y26 A31 L32 L33 I64 A67 F68 V71 F81N25-L29 PolarHBondContact O-N 3.14Å; Y26-L29 PolarHBondContact O-N 3.42Å; L29-A31 VanDerWaalsContact C-N 3.34Å; L29-A31 PolarHBondContact O-N 2.84Å; L29-L32 PolarHBondContact O-N 3.45Å; L29-L33 HydrophobicContact CD1-CD1 4.37Å; L29-L33 HydrophobicContact CD1-CG 4.21Å; L29-L33 HydrophobicContact CG-CD1 4.14Å; L29-L33 HydrophobicContact CG-CG 4.42Å; L29-L33 VanDerWaalsContact O-CG 3.28Å; L29-L33 WeakPolarHBondContact O-CG 3.04Å; L29-L33 PolarHBondContact O-N 3.09Å; L29-I64 HydrophobicContact CD1-CG2 4.07Å; L29-A67 HydrophobicContact CB-CB 4.25Å; L29-A67 HydrophobicContact CD1-CB 4.16Å; L29-F68 HydrophobicContact CD1-CB 4.39Å; L29-F68 HydrophobicContact CD2-CB 4.44Å; L29-F68 HydrophobicContact CD2-CD2 3.89Å; L29-V71 HydrophobicContact CD2-CG2 3.55Å; L29-F81 HydrophobicContact CB-CE1 4.28Å; L29-F81 HydrophobicContact CB-CZ 4.06Å; L29-F81 HydrophobicContact CD2-CD1 3.81Å; L29-F81 HydrophobicContact CD2-CD2 3.89Å; L29-F81 HydrophobicContact CD2-CE1 3.94Å; L29-F81 HydrophobicContact CD2-CE2 3.98Å; L29-F81 HydrophobicContact CD2-CG 3.81Å; L29-F81 HydrophobicContact CD2-CZ 4.03Å; L29-F81 HydrophobicContact CG-CD1 4.17Å; L29-F81 HydrophobicContact CG-CE1 3.92Å; L29-F81 HydrophobicContact CG-CZ 4.13Å
30Y98.5Very high98.2Very high91 Ų9153.9 Ų53.936%0.35727%0.266SS..Hα-helixtrans-56.5-48.7175.6-175.4-72.5000111.2Y26 A27 E28 L33 N34 F85 L87Y26-Y30 VanDerWaalsContact O-CB 3.23Å; Y26-Y30 WeakPolarHBondContact O-CB 3.45Å; Y26-Y30 PolarHBondContact O-N 2.87Å; A27-Y30 WeakPolarHBondContact O-CB 3.49Å; A27-Y30 PolarHBondContact O-N 3.15Å; E28-Y30 VanDerWaalsContact C-N 3.32Å; E28-Y30 PolarHBondContact O-N 2.74Å; Y30-L33 PolarHBondContact O-N 3.41Å; Y30-N34 WeakPolarHBondContact CE1-ND2 3.17Å; Y30-N34 PolarHBondContact O-N 3.26Å; Y30-N34 VanDerWaalsContact O-N 3.09Å; Y30-F85 HydrophobicContact CD2-CB 4.1Å; Y30-F85 HydrophobicContact CE2-CB 4.13Å; Y30-L87 HydrophobicContact CD1-CD2 4.4Å; Y30-L87 HydrophobicContact CD2-CD1 3.28Å; Y30-L87 HydrophobicContact CD2-CD2 3.96Å; Y30-L87 HydrophobicContact CD2-CG 3.86Å; Y30-L87 HydrophobicContact CE1-CD2 4.49Å; Y30-L87 HydrophobicContact CE2-CD1 3.11Å; Y30-L87 HydrophobicContact CE2-CD2 4.05Å; Y30-L87 HydrophobicContact CE2-CG 3.52Å; Y30-L87 HydrophobicContact CG-CD1 4.21Å; Y30-L87 HydrophobicContact CG-CD2 4.09Å; Y30-L87 HydrophobicContact CG-CG 4.45Å
31A98.6Very high98.2Very high44 Ų4451.2 Ų51.236%0.36426%0.258SS..Hα-helixtrans-63.6-43.8-179.400000111.6A27 E28 L29 N34 T35A27-A31 VanDerWaalsContact O-CB 3.31Å; A27-A31 WeakPolarHBondContact O-CB 3.34Å; A27-A31 PolarHBondContact O-N 3.27Å; E28-A31 PolarHBondContact O-N 3.36Å; L29-A31 VanDerWaalsContact C-N 3.34Å; L29-A31 PolarHBondContact O-N 2.84Å; A31-N34 PolarHBondContact O-N 3.32Å; A31-T35 WeakPolarHBondContact O-CB 3.3Å; A31-T35 PolarHBondContact O-N 3.08Å; A31-T35 PolarHBondContact O-OG1 3.23Å
32L98.7Very high98.3Very high13 Ų1346.9 Ų46.97%0.06824%0.242CC..Hα-helixtrans-63.2-43.7178.6-70.9168.9000112.2E28 L29 T35 L36 L60 Q63 I64 A67E28-L32 HydrophobicContact CG-CD1 4.21Å; E28-L32 WeakPolarHBondContact O-CG 3.36Å; E28-L32 PolarHBondContact O-N 3.22Å; L29-L32 PolarHBondContact O-N 3.45Å; L32-T35 PolarHBondContact O-N 3.12Å; L32-L36 PolarHBondContact O-N 3.38Å; L32-L60 HydrophobicContact CD2-CD2 3.87Å; L32-Q63 HydrophobicContact CD1-CB 4.03Å; L32-Q63 HydrophobicContact CD2-CB 3.92Å; L32-I64 HydrophobicContact CB-CD1 4.44Å; L32-I64 HydrophobicContact CB-CG1 3.64Å; L32-I64 HydrophobicContact CD1-CG1 4.44Å; L32-A67 HydrophobicContact CD1-CB 3.69Å
33L98.7Very high98.4Very high0 Ų046 Ų460%024%0.239CC..Hα-helixtrans-62.1-44.7176.9-69174.4000111.9L29 Y30 T35 L36 E37 I64 I78 F81 L87 I96L29-L33 HydrophobicContact CD1-CD1 4.37Å; L29-L33 HydrophobicContact CD1-CG 4.21Å; L29-L33 HydrophobicContact CG-CD1 4.14Å; L29-L33 HydrophobicContact CG-CG 4.42Å; L29-L33 VanDerWaalsContact O-CG 3.28Å; L29-L33 WeakPolarHBondContact O-CG 3.04Å; L29-L33 PolarHBondContact O-N 3.09Å; Y30-L33 PolarHBondContact O-N 3.41Å; L33-T35 VanDerWaalsContact C-N 3.32Å; L33-T35 PolarHBondContact O-N 3.22Å; L33-L36 PolarHBondContact O-N 3.14Å; L33-E37 WeakPolarHBondContact O-CB 3.4Å; L33-E37 PolarHBondContact O-N 2.8Å; L33-I64 HydrophobicContact CD2-CD1 4.31Å; L33-I64 HydrophobicContact CD2-CG2 4.19Å; L33-I78 HydrophobicContact CD1-CG2 4.03Å; L33-I78 HydrophobicContact CD2-CG2 3.69Å; L33-F81 HydrophobicContact CD1-CD1 3.83Å; L33-F81 HydrophobicContact CD1-CE1 4.02Å; L33-L87 HydrophobicContact CB-CD2 3.87Å; L33-L87 HydrophobicContact CD1-CD2 4.19Å; L33-I96 HydrophobicContact CD2-CD1 3.37Å
34N98.4Very high98.3Very high47 Ų4748.5 Ų48.525%0.25126%0.256SS..Hα-helixtrans-64.1-38.8175-95-14.3000112Y30 A31 E37 H38Y30-N34 WeakPolarHBondContact CE1-ND2 3.17Å; Y30-N34 PolarHBondContact O-N 3.26Å; Y30-N34 VanDerWaalsContact O-N 3.09Å; A31-N34 PolarHBondContact O-N 3.32Å; N34-E37 PolarHBondContact O-N 3.22Å; N34-H38 PolarHBondContact O-N 3.47Å; N34-H38 PolarHBondContact O-ND1 3.46Å
35T98.7Very high98.3Very high74 Ų7452.8 Ų52.845%0.45427%0.265SS..Hα-helixtrans-64-45.1178.8-57.70000110.8A31 L32 L33 E37 H38 L39 L60A31-T35 WeakPolarHBondContact O-CB 3.3Å; A31-T35 PolarHBondContact O-N 3.08Å; A31-T35 PolarHBondContact O-OG1 3.23Å; L32-T35 PolarHBondContact O-N 3.12Å; L33-T35 VanDerWaalsContact C-N 3.32Å; L33-T35 PolarHBondContact O-N 3.22Å; T35-E37 PolarHBondContact O-N 3.1Å; T35-H38 PolarHBondContact O-N 3.41Å; T35-L39 WeakPolarHBondContact O-CB 3.24Å; T35-L39 PolarHBondContact O-N 3.01Å; T35-L60 HydrophobicContact CG2-CD1 4.01Å; T35-L60 HydrophobicContact CG2-CD2 3.94Å
36L98.7Very high98.2Very high0 Ų057 Ų570%029%0.287CS..Hα-helixtrans-62.4-42.1175.9-176.960000111.9L32 L33 H38 L39 E40 L60 L61 I64 A92 R95 I96L32-L36 PolarHBondContact O-N 3.38Å; L33-L36 PolarHBondContact O-N 3.14Å; L36-H38 VanDerWaalsContact C-N 3.3Å; L36-H38 PolarHBondContact O-N 2.93Å; L36-L39 HydrophobicContact CD1-CD2 4.47Å; L36-L39 PolarHBondContact O-N 3.08Å; L36-E40 WeakPolarHBondContact O-CG 3.21Å; L36-E40 PolarHBondContact O-N 3.19Å; L36-L60 HydrophobicContact CB-CD1 4.28Å; L36-L60 HydrophobicContact CD1-CB 4.29Å; L36-L60 HydrophobicContact CD1-CD1 4.14Å; L36-L61 HydrophobicContact CD2-CD2 4.08Å; L36-I64 HydrophobicContact CB-CD1 4.04Å; L36-I64 HydrophobicContact CD2-CD1 3.59Å; L36-I64 HydrophobicContact CG-CD1 4.43Å; L36-A92 HydrophobicContact CB-CB 4.05Å; L36-A92 HydrophobicContact CD2-CB 4Å; L36-A92 HydrophobicContact CG-CB 3.94Å; L36-R95 HydrophobicContact CD1-CG 4.17Å; L36-R95 HydrophobicContact CD2-CB 4.25Å; L36-R95 HydrophobicContact CD2-CG 4.15Å; L36-I96 HydrophobicContact CD2-CD1 4.23Å; L36-I96 HydrophobicContact CD2-CG1 3.92Å
37E98.6Very high98.2Very high2 Ų259.7 Ų59.71%0.00931%0.313CS..Hα-helixtrans-59.6-41176.7178.267.6-173.800112.1L33 N34 T35 K41 C89 P90 S91 A92L33-E37 WeakPolarHBondContact O-CB 3.4Å; L33-E37 PolarHBondContact O-N 2.8Å; N34-E37 PolarHBondContact O-N 3.22Å; T35-E37 PolarHBondContact O-N 3.1Å; E37-K41 HydrophobicContact CG-CD 4.49Å; E37-K41 WeakPolarHBondContact O-CG 3.31Å; E37-K41 PolarHBondContact O-N 2.94Å; E37-K41 WeakPolarHBondContact OE1-CE 3.34Å; E37-K41 IonicContact OE1-NZ 3.14Å; E37-K41 PolarHBondContact OE1-NZ 3.36Å; E37-C89 HydrophobicContact CB-CB 3.96Å; E37-C89 VanDerWaalsContact CD-CA 3.46Å; E37-C89 HydrophobicContact CG-CB 4.1Å; E37-C89 WeakPolarHBondContact OE2-CA 3.25Å; E37-P90 WeakPolarHBondContact OE1-CD 3.43Å; E37-S91 WeakPolarHBondContact OE2-CA 3.23Å; E37-S91 WeakPolarHBondContact OE2-CB 3.43Å; E37-S91 PolarHBondContact OE2-N 3.18Å; E37-A92 HydrophobicContact CB-CB 4.07Å; E37-A92 PolarHBondContact OE2-N 2.96Å
38H98.6Very high98.1Very high123 Ų12358.3 Ų58.357%0.56930%0.299SS*.Hα-helixtrans-72.1-36.1177.1-73.979.2000111.9N34 T35 L36 K41 A42N34-H38 PolarHBondContact O-N 3.47Å; N34-H38 PolarHBondContact O-ND1 3.46Å; T35-H38 PolarHBondContact O-N 3.41Å; L36-H38 VanDerWaalsContact C-N 3.3Å; L36-H38 PolarHBondContact O-N 2.93Å; H38-K41 PolarHBondContact O-N 3.44Å; H38-A42 WeakPolarHBondContact O-CB 3.2Å; H38-A42 PolarHBondContact O-N 3.48Å
39L98.7Very high98Very high25 Ų2558.9 Ų58.913%0.13130%0.302CS..Hα-helixtrans-62.4-48174.9-179.764.4000111.5T35 L36 K41 A42 Y43 Y53 A56 C57 L60T35-L39 WeakPolarHBondContact O-CB 3.24Å; T35-L39 PolarHBondContact O-N 3.01Å; L36-L39 HydrophobicContact CD1-CD2 4.47Å; L36-L39 PolarHBondContact O-N 3.08Å; L39-K41 VanDerWaalsContact C-N 3.3Å; L39-K41 PolarHBondContact O-N 3.38Å; L39-A42 PolarHBondContact O-N 2.98Å; L39-Y43 PolarHBondContact O-N 3.28Å; L39-Y53 HydrophobicContact CD1-CD2 4.12Å; L39-Y53 HydrophobicContact CD2-CD2 4.26Å; L39-Y53 HydrophobicContact CD2-CE2 4.46Å; L39-Y53 HydrophobicContact CG-CD2 3.88Å; L39-Y53 HydrophobicContact CG-CE2 4.18Å; L39-A56 HydrophobicContact CD1-CB 4.34Å; L39-A56 HydrophobicContact CD2-CB 3.78Å; L39-C57 HydrophobicContact CD2-CB 3.9Å; L39-L60 HydrophobicContact CB-CD1 4.44Å; L39-L60 HydrophobicContact CD2-CD1 3.69Å
40E98.3Very high97.6Very high8 Ų861.7 Ų61.74%0.03732%0.32CS..Hα-helixtrans-57.6-45176.1-69.3-69.9114.300110.7L36 A42 Y43 I44 Y53 R95L36-E40 WeakPolarHBondContact O-CG 3.21Å; L36-E40 PolarHBondContact O-N 3.19Å; E40-A42 PolarHBondContact O-N 3.36Å; E40-Y43 PolarHBondContact O-N 3.16Å; E40-I44 VanDerWaalsContact O-CG1 3.3Å; E40-I44 WeakPolarHBondContact O-CG1 3.27Å; E40-I44 PolarHBondContact O-N 3.23Å; E40-Y53 VanDerWaalsContact OE1-CE2 3.28Å; E40-Y53 WeakPolarHBondContact OE1-CE2 3.4Å; E40-Y53 VanDerWaalsContact OE1-CZ 3.32Å; E40-Y53 PolarHBondContact OE1-OH 2.87Å; E40-R95 HydrophobicContact CG-CB 4.43Å; E40-R95 IonicContact OE1-NE 2.7Å; E40-R95 PolarHBondContact OE1-NE 3.46Å; E40-R95 VanDerWaalsContact OE1-NE 3.09Å; E40-R95 IonicContact OE2-CZ 3.76Å; E40-R95 IonicContact OE2-NE 3.94Å; E40-R95 PolarHBondContact OE2-NE 3.28Å; E40-R95 VanDerWaalsContact OE2-NE 3.09Å; E40-R95 IonicContact OE2-NH2 2.74Å; E40-R95 PolarHBondContact OE2-NH2 3.05Å
41K98.1Very high97Very high65 Ų6565.3 Ų65.328%0.28334%0.34SS..Hα-helixtrans-65.7-36.6177.5-75.9172.7-179155.20113.4E37 H38 L39 Y43 R45E37-K41 HydrophobicContact CG-CD 4.49Å; E37-K41 WeakPolarHBondContact O-CG 3.31Å; E37-K41 PolarHBondContact O-N 2.94Å; E37-K41 WeakPolarHBondContact OE1-CE 3.34Å; E37-K41 IonicContact OE1-NZ 3.14Å; E37-K41 PolarHBondContact OE1-NZ 3.36Å; H38-K41 PolarHBondContact O-N 3.44Å; L39-K41 VanDerWaalsContact C-N 3.3Å; L39-K41 PolarHBondContact O-N 3.38Å; K41-Y43 VanDerWaalsContact C-N 3.34Å; K41-R45 WeakPolarHBondContact O-CB 3.46Å; K41-R45 VanDerWaalsContact O-CG 3.26Å; K41-R45 WeakPolarHBondContact O-CG 3.45Å; K41-R45 PolarHBondContact O-N 2.89Å; K41-R45 VanDerWaalsContact O-N 3.14Å
42A98.3Very high96.8Very high25 Ų2569.1 Ų69.121%0.20735%0.351CS..Hα-helixtrans-66.5-41.117700000110.5H38 L39 E40 R45 D46 A47 V48H38-A42 WeakPolarHBondContact O-CB 3.2Å; H38-A42 PolarHBondContact O-N 3.48Å; L39-A42 PolarHBondContact O-N 2.98Å; E40-A42 PolarHBondContact O-N 3.36Å; A42-R45 CarbonylContact O-C 3.53Å; A42-R45 PolarHBondContact O-N 3.36Å; A42-D46 PolarHBondContact O-N 3.48Å; A42-A47 HydrophobicContact CB-CB 4.41Å; A42-A47 WeakPolarHBondContact O-CB 3.38Å; A42-A47 PolarHBondContact O-N 2.87Å; A42-V48 HydrophobicContact CB-CG2 3.77Å
43Y98Very high96.8Very high61 Ų6168.5 Ų68.524%0.23935%0.347CS..Hα-helixtrans-64.5-44.6174.7-173.1-107.1000112.6L39 E40 K41 R45 D46 P50 Y53 I102 T103L39-Y43 PolarHBondContact O-N 3.28Å; E40-Y43 PolarHBondContact O-N 3.16Å; K41-Y43 VanDerWaalsContact C-N 3.34Å; Y43-R45 PolarHBondContact O-N 3.13Å; Y43-D46 PolarHBondContact O-N 3.42Å; Y43-P50 HydrophobicContact CE2-CB 4.34Å; Y43-P50 HydrophobicContact CE2-CG 4.27Å; Y43-Y53 HydrophobicContact CD1-CD1 4.38Å; Y43-Y53 HydrophobicContact CD1-CD2 4.39Å; Y43-Y53 HydrophobicContact CD1-CE1 4.35Å; Y43-Y53 HydrophobicContact CD1-CE2 4.34Å; Y43-Y53 HydrophobicContact CD1-CG 4.4Å; Y43-Y53 AromaticContact CD2-CD1 3.93Å; Y43-Y53 HydrophobicContact CD2-CD1 3.93Å; Y43-Y53 AromaticContact CD2-CD2 3.93Å; Y43-Y53 HydrophobicContact CD2-CD2 3.93Å; Y43-Y53 AromaticContact CD2-CG 3.52Å; Y43-Y53 HydrophobicContact CD2-CG 3.52Å; Y43-Y53 HydrophobicContact CE1-CD1 4.47Å; Y43-Y53 HydrophobicContact CE1-CE1 4.48Å; Y43-Y53 HydrophobicContact CE2-CD1 4.03Å; Y43-Y53 HydrophobicContact CE2-CG 4.05Å; Y43-Y53 HydrophobicContact CG-CD1 4.11Å; Y43-Y53 AromaticContact CG-CD2 3.68Å; Y43-Y53 HydrophobicContact CG-CD2 3.68Å; Y43-Y53 HydrophobicContact CG-CE1 4.45Å; Y43-Y53 HydrophobicContact CG-CE2 4.04Å; Y43-Y53 AromaticContact CG-CG 3.72Å; Y43-Y53 HydrophobicContact CG-CG 3.72Å; Y43-I102 HydrophobicContact CD1-CG2 3.72Å; Y43-I102 HydrophobicContact CE1-CG2 3.33Å; Y43-T103 HydrophobicContact CE1-CG2 4.35Å; Y43-T103 HydrophobicContact CE2-CG2 4.29Å; Y43-T103 VanDerWaalsContact OH-CG2 3.25Å; Y43-T103 WeakPolarHBondContact OH-CG2 3.38Å
44I96.7Very high96.5Very high122 Ų12270.1 Ų70.163%0.62636%0.357SS*.Hα-helixtrans-58-31.1174.4-70.6162.4000112E40 D46E40-I44 VanDerWaalsContact O-CG1 3.3Å; E40-I44 WeakPolarHBondContact O-CG1 3.27Å; E40-I44 PolarHBondContact O-N 3.23Å; I44-D46 VanDerWaalsContact C-N 3.29Å
45R97.9Very high96.2Very high182 Ų18271 Ų7169%0.68737%0.371SS*.THydrogen-bonded Turntrans-89.310178.6-69176.5-175133.9-1.5113.7K41 A42 Y43 A47K41-R45 WeakPolarHBondContact O-CB 3.46Å; K41-R45 VanDerWaalsContact O-CG 3.26Å; K41-R45 WeakPolarHBondContact O-CG 3.45Å; K41-R45 PolarHBondContact O-N 2.89Å; K41-R45 VanDerWaalsContact O-N 3.14Å; A42-R45 CarbonylContact O-C 3.53Å; A42-R45 PolarHBondContact O-N 3.36Å; Y43-R45 PolarHBondContact O-N 3.13Å; R45-A47 PolarHBondContact O-N 3.5Å
46D95.9Very high96.1Very high131 Ų13169.2 Ų69.270%0.70136%0.364SS*.THydrogen-bonded Turntrans55.430.9-178.4-158.333.6000113.2A42 Y43 I44A42-D46 PolarHBondContact O-N 3.48Å; Y43-D46 PolarHBondContact O-N 3.42Å; I44-D46 VanDerWaalsContact C-N 3.29Å
47A97.8Very high96.1Very high75 Ų7569.2 Ų69.262%0.6236%0.364SS*.  trans-93.8-4.6-177.700000113.3A42 R45A42-A47 HydrophobicContact CB-CB 4.41Å; A42-A47 WeakPolarHBondContact O-CB 3.38Å; A42-A47 PolarHBondContact O-N 2.87Å; R45-A47 PolarHBondContact O-N 3.5Å
48V97Very high95.9Very high29 Ų2971.3 Ų71.318%0.17638%0.378CS..SBendtrans-140.3135.1-178.1-176.20000108.7A42 E52A42-V48 HydrophobicContact CB-CG2 3.77Å; V48-E52 HydrophobicContact CG1-CB 3.91Å
49Q94.6Very high95.8Very high120 Ų12071.9 Ų71.956%0.56138%0.379SS*.  trans-69.2149.1-179.3-65.6-60.2-35.800111.7Q51 E52 Y53Q49-Q51 VanDerWaalsContact C-N 3.29Å; Q49-Q51 PolarHBondContact O-N 3.01Å; Q49-E52 HydrophobicContact CB-CG 4.38Å; Q49-E52 PolarHBondContact O-N 2.86Å; Q49-E52 VanDerWaalsContact O-N 3.15Å; Q49-Y53 WeakPolarHBondContact O-CB 3.43Å; Q49-Y53 PolarHBondContact O-N 3.15Å
50P90.7Very high95.8Very high59 Ų5971.4 Ų71.438%0.38338%0.377SS..Hα-helixtrans-54.3-39.9-176.9-28.334.8000114.5Y43 T54 T103Y43-P50 HydrophobicContact CE2-CB 4.34Å; Y43-P50 HydrophobicContact CE2-CG 4.27Å; P50-T54 WeakPolarHBondContact O-CB 3.44Å; P50-T54 PolarHBondContact O-N 2.94Å; P50-T54 PolarHBondContact O-OG1 3.44Å; P50-T103 HydrophobicContact CB-CG2 4.25Å
51Q87Confident95.8Very high167 Ų16771.6 Ų71.678%0.7838%0.378SS*.Hα-helixtrans-66.7-45.4180-169.4176.612.300112Q49 T54 A55Q49-Q51 VanDerWaalsContact C-N 3.29Å; Q49-Q51 PolarHBondContact O-N 3.01Å; Q51-T54 PolarHBondContact O-N 2.67Å; Q51-A55 PolarHBondContact O-N 3.23Å; Q51-A55 VanDerWaalsContact O-N 3.14Å
52E93.9Very high95.8Very high124 Ų12473.5 Ų73.558%0.57940%0.395SS*.Hα-helixtrans-65.3-44.4178.4-62.9179.2144.500111.3V48 Q49 T54 A55 A56V48-E52 HydrophobicContact CG1-CB 3.91Å; Q49-E52 HydrophobicContact CB-CG 4.38Å; Q49-E52 PolarHBondContact O-N 2.86Å; Q49-E52 VanDerWaalsContact O-N 3.15Å; E52-T54 PolarHBondContact O-N 3.48Å; E52-A55 PolarHBondContact O-N 3.49Å; E52-A56 VanDerWaalsContact O-CB 3.32Å; E52-A56 WeakPolarHBondContact O-CB 3.2Å; E52-A56 PolarHBondContact O-N 2.96Å
53Y97.5Very high95.8Very high0 Ų075.8 Ų75.80%040%0.401CS..Hα-helixtrans-57.3-49.3174.5163-95.6000111.3L39 E40 Y43 Q49 A55 A56 C57 R95 P101 I102 T103L39-Y53 HydrophobicContact CD1-CD2 4.12Å; L39-Y53 HydrophobicContact CD2-CD2 4.26Å; L39-Y53 HydrophobicContact CD2-CE2 4.46Å; L39-Y53 HydrophobicContact CG-CD2 3.88Å; L39-Y53 HydrophobicContact CG-CE2 4.18Å; E40-Y53 VanDerWaalsContact OE1-CE2 3.28Å; E40-Y53 WeakPolarHBondContact OE1-CE2 3.4Å; E40-Y53 VanDerWaalsContact OE1-CZ 3.32Å; E40-Y53 PolarHBondContact OE1-OH 2.87Å; Y43-Y53 HydrophobicContact CD1-CD1 4.38Å; Y43-Y53 HydrophobicContact CD1-CD2 4.39Å; Y43-Y53 HydrophobicContact CD1-CE1 4.35Å; Y43-Y53 HydrophobicContact CD1-CE2 4.34Å; Y43-Y53 HydrophobicContact CD1-CG 4.4Å; Y43-Y53 AromaticContact CD2-CD1 3.93Å; Y43-Y53 HydrophobicContact CD2-CD1 3.93Å; Y43-Y53 AromaticContact CD2-CD2 3.93Å; Y43-Y53 HydrophobicContact CD2-CD2 3.93Å; Y43-Y53 AromaticContact CD2-CG 3.52Å; Y43-Y53 HydrophobicContact CD2-CG 3.52Å; Y43-Y53 HydrophobicContact CE1-CD1 4.47Å; Y43-Y53 HydrophobicContact CE1-CE1 4.48Å; Y43-Y53 HydrophobicContact CE2-CD1 4.03Å; Y43-Y53 HydrophobicContact CE2-CG 4.05Å; Y43-Y53 HydrophobicContact CG-CD1 4.11Å; Y43-Y53 AromaticContact CG-CD2 3.68Å; Y43-Y53 HydrophobicContact CG-CD2 3.68Å; Y43-Y53 HydrophobicContact CG-CE1 4.45Å; Y43-Y53 HydrophobicContact CG-CE2 4.04Å; Y43-Y53 AromaticContact CG-CG 3.72Å; Y43-Y53 HydrophobicContact CG-CG 3.72Å; Q49-Y53 WeakPolarHBondContact O-CB 3.43Å; Q49-Y53 PolarHBondContact O-N 3.15Å; Y53-A55 VanDerWaalsContact C-N 3.33Å; Y53-A55 PolarHBondContact O-N 3.33Å; Y53-A56 PolarHBondContact O-N 2.98Å; Y53-C57 HydrophobicContact CD2-CB 4.48Å; Y53-C57 HydrophobicContact CE1-CB 4.46Å; Y53-C57 HydrophobicContact CE2-CB 4.07Å; Y53-C57 WeakPolarHBondContact O-CB 3.48Å; Y53-C57 PolarHBondContact O-N 3.41Å; Y53-R95 PolarHBondContact OH-NE 3.29Å; Y53-P101 HydrophobicContact CE1-CB 3.75Å; Y53-I102 HydrophobicContact CE1-CB 4.48Å; Y53-I102 HydrophobicContact CE1-CG2 3.73Å; Y53-I102 PolarHBondContact OH-N 2.89Å; Y53-T103 HydrophobicContact CD1-CG2 3.75Å; Y53-T103 HydrophobicContact CE1-CG2 3.94Å
54T92.3Very high95.8Very high33 Ų3373 Ų7320%0.20239%0.391CS..Hα-helixtrans-60.5-44.6-176.4-55.80000111.2P50 Q51 E52 S58 P101 T103 I104P50-T54 WeakPolarHBondContact O-CB 3.44Å; P50-T54 PolarHBondContact O-N 2.94Å; P50-T54 PolarHBondContact O-OG1 3.44Å; Q51-T54 PolarHBondContact O-N 2.67Å; E52-T54 PolarHBondContact O-N 3.48Å; T54-S58 VanDerWaalsContact O-CB 3.29Å; T54-S58 WeakPolarHBondContact O-CB 3.23Å; T54-S58 PolarHBondContact O-N 2.97Å; T54-S58 PolarHBondContact O-OG 3.22Å; T54-P101 HydrophobicContact CG2-CB 4.24Å; T54-P101 HydrophobicContact CG2-CG 4.08Å; T54-T103 WeakPolarHBondContact OG1-CB 3.33Å; T54-T103 PolarHBondContact OG1-OG1 3.47Å; T54-I104 HydrophobicContact CG2-CD1 4.02Å; T54-I104 HydrophobicContact CG2-CG1 4.06Å
55A92Very high95.8Very high65 Ų6573.3 Ų73.354%0.53739%0.388SS..Hα-helixtrans-65.3-47.7178.100000111.8Q51 E52 Y53 K59Q51-A55 PolarHBondContact O-N 3.23Å; Q51-A55 VanDerWaalsContact O-N 3.14Å; E52-A55 PolarHBondContact O-N 3.49Å; Y53-A55 VanDerWaalsContact C-N 3.33Å; Y53-A55 PolarHBondContact O-N 3.33Å; A55-K59 WeakPolarHBondContact O-CB 3.37Å; A55-K59 PolarHBondContact O-N 3.29Å; A55-K59 VanDerWaalsContact O-N 3.1Å
56A97.7Very high95.8Very high38 Ų3867.2 Ų67.231%0.31438%0.376SS..Hα-helixtrans-65-44.8-179.900000112.2L39 E52 Y53 K59 L60L39-A56 HydrophobicContact CD1-CB 4.34Å; L39-A56 HydrophobicContact CD2-CB 3.78Å; E52-A56 VanDerWaalsContact O-CB 3.32Å; E52-A56 WeakPolarHBondContact O-CB 3.2Å; E52-A56 PolarHBondContact O-N 2.96Å; Y53-A56 PolarHBondContact O-N 2.98Å; A56-K59 PolarHBondContact O-N 2.93Å; A56-L60 WeakPolarHBondContact O-CG 3.44Å; A56-L60 PolarHBondContact O-N 2.64Å
57C98Very high95.9Very high0 Ų061.4 Ų61.40%035%0.346CS..Hα-helixtrans-63.5-45179.2-178.40000111.2L39 Y53 K59 L60 L61 P101L39-C57 HydrophobicContact CD2-CB 3.9Å; Y53-C57 HydrophobicContact CD2-CB 4.48Å; Y53-C57 HydrophobicContact CE1-CB 4.46Å; Y53-C57 HydrophobicContact CE2-CB 4.07Å; Y53-C57 WeakPolarHBondContact O-CB 3.48Å; Y53-C57 PolarHBondContact O-N 3.41Å; C57-K59 VanDerWaalsContact C-N 3.31Å; C57-K59 PolarHBondContact O-N 2.7Å; C57-L60 PolarHBondContact O-N 2.92Å; C57-L61 WeakPolarHBondContact O-CG 3.24Å; C57-L61 PolarHBondContact O-N 3.25Å; C57-P101 HydrophobicContact CB-CB 4.04Å; C57-P101 HydrophobicContact CB-CG 3.92Å
58S94.9Very high96Very high45 Ų4559.2 Ų59.232%0.31532%0.323SS..Hα-helixtrans-59-43.9176.7-62.20000111.6T54 L61 V62 P101T54-S58 VanDerWaalsContact O-CB 3.29Å; T54-S58 WeakPolarHBondContact O-CB 3.23Å; T54-S58 PolarHBondContact O-N 2.97Å; T54-S58 PolarHBondContact O-OG 3.22Å; S58-L61 PolarHBondContact O-N 3.44Å; S58-V62 WeakPolarHBondContact O-CG2 3.42Å; S58-V62 PolarHBondContact O-N 2.9Å; S58-P101 VanDerWaalsContact OG-CG 3.23Å; S58-P101 WeakPolarHBondContact OG-CG 3.42Å
59K97.2Very high96Very high135 Ų13565.1 Ų65.159%0.58735%0.346SS*.Hα-helixtrans-63-47.3176.7-175.9179.3177.3-178.30112A55 A56 C57 L61 V62 Q63A55-K59 WeakPolarHBondContact O-CB 3.37Å; A55-K59 PolarHBondContact O-N 3.29Å; A55-K59 VanDerWaalsContact O-N 3.1Å; A56-K59 PolarHBondContact O-N 2.93Å; C57-K59 VanDerWaalsContact C-N 3.31Å; C57-K59 PolarHBondContact O-N 2.7Å; K59-L61 VanDerWaalsContact C-N 3.35Å; K59-L61 PolarHBondContact O-N 3.47Å; K59-V62 PolarHBondContact O-N 3.1Å; K59-Q63 WeakPolarHBondContact O-CG 3.46Å; K59-Q63 PolarHBondContact O-N 2.87Å
60L98.6Very high96.1Very high16 Ų1664.8 Ų64.88%0.08435%0.348CS..Hα-helixtrans-61.1-42.1179-76.8169.9000111.9L32 T35 L36 L39 A56 C57 V62 Q63 I64L32-L60 HydrophobicContact CD2-CD2 3.87Å; T35-L60 HydrophobicContact CG2-CD1 4.01Å; T35-L60 HydrophobicContact CG2-CD2 3.94Å; L36-L60 HydrophobicContact CB-CD1 4.28Å; L36-L60 HydrophobicContact CD1-CB 4.29Å; L36-L60 HydrophobicContact CD1-CD1 4.14Å; L39-L60 HydrophobicContact CB-CD1 4.44Å; L39-L60 HydrophobicContact CD2-CD1 3.69Å; A56-L60 WeakPolarHBondContact O-CG 3.44Å; A56-L60 PolarHBondContact O-N 2.64Å; C57-L60 PolarHBondContact O-N 2.92Å; L60-V62 VanDerWaalsContact C-N 3.33Å; L60-V62 PolarHBondContact O-N 3.46Å; L60-Q63 PolarHBondContact O-N 2.92Å; L60-I64 WeakPolarHBondContact O-CB 3.39Å; L60-I64 WeakPolarHBondContact O-CD1 3.15Å; L60-I64 VanDerWaalsContact O-CG1 3.23Å; L60-I64 WeakPolarHBondContact O-CG1 3.38Å; L60-I64 PolarHBondContact O-N 3.3Å
61L98.1Very high96.4Very high12 Ų1262.1 Ų62.16%0.06333%0.33CS..Hα-helixtrans-59.4-42.8177.3-75.3172.2000112.1L36 C57 S58 K59 K65 R95 I96L36-L61 HydrophobicContact CD2-CD2 4.08Å; C57-L61 WeakPolarHBondContact O-CG 3.24Å; C57-L61 PolarHBondContact O-N 3.25Å; S58-L61 PolarHBondContact O-N 3.44Å; K59-L61 VanDerWaalsContact C-N 3.35Å; K59-L61 PolarHBondContact O-N 3.47Å; L61-K65 PolarHBondContact O-N 3.47Å; L61-R95 HydrophobicContact CD1-CG 4.37Å; L61-R95 HydrophobicContact CD2-CG 4.24Å; L61-I96 HydrophobicContact CD2-CG1 3.93Å
62V97.3Very high96.6Very high105 Ų10559 Ų5964%0.63632%0.315SS*.Hα-helixtrans-64.2-44.8175.41740000111.3S58 K59 L60 K65 A66S58-V62 WeakPolarHBondContact O-CG2 3.42Å; S58-V62 PolarHBondContact O-N 2.9Å; K59-V62 PolarHBondContact O-N 3.1Å; L60-V62 VanDerWaalsContact C-N 3.33Å; L60-V62 PolarHBondContact O-N 3.46Å; V62-K65 PolarHBondContact O-N 3.42Å; V62-A66 PolarHBondContact O-N 2.57Å
63Q98.2Very high96.5Very high73 Ų7357 Ų5734%0.34133%0.328SS..Hα-helixtrans-63.5-43.9178.7-71.4175-37.400111.9L32 K59 L60 K65 A66 A67L32-Q63 HydrophobicContact CD1-CB 4.03Å; L32-Q63 HydrophobicContact CD2-CB 3.92Å; K59-Q63 WeakPolarHBondContact O-CG 3.46Å; K59-Q63 PolarHBondContact O-N 2.87Å; L60-Q63 PolarHBondContact O-N 2.92Å; Q63-K65 VanDerWaalsContact C-N 3.31Å; Q63-K65 PolarHBondContact O-N 2.87Å; Q63-A66 PolarHBondContact O-N 3.03Å; Q63-A66 VanDerWaalsContact O-N 3.13Å; Q63-A67 WeakPolarHBondContact O-CB 3.47Å; Q63-A67 PolarHBondContact O-N 3.27Å
64I98.6Very high96.4Very high3 Ų361.8 Ų61.82%0.01535%0.35CS..Hα-helixtrans-59.6-43.6176.2-72.2163.9000110.3L29 L32 L33 L36 L60 A66 A67 F68 I78 I96L29-I64 HydrophobicContact CD1-CG2 4.07Å; L32-I64 HydrophobicContact CB-CD1 4.44Å; L32-I64 HydrophobicContact CB-CG1 3.64Å; L32-I64 HydrophobicContact CD1-CG1 4.44Å; L33-I64 HydrophobicContact CD2-CD1 4.31Å; L33-I64 HydrophobicContact CD2-CG2 4.19Å; L36-I64 HydrophobicContact CB-CD1 4.04Å; L36-I64 HydrophobicContact CD2-CD1 3.59Å; L36-I64 HydrophobicContact CG-CD1 4.43Å; L60-I64 WeakPolarHBondContact O-CB 3.39Å; L60-I64 WeakPolarHBondContact O-CD1 3.15Å; L60-I64 VanDerWaalsContact O-CG1 3.23Å; L60-I64 WeakPolarHBondContact O-CG1 3.38Å; L60-I64 PolarHBondContact O-N 3.3Å; I64-A66 VanDerWaalsContact C-N 3.31Å; I64-A66 PolarHBondContact O-N 3.24Å; I64-A67 PolarHBondContact O-N 3.01Å; I64-F68 VanDerWaalsContact O-CB 3.23Å; I64-F68 WeakPolarHBondContact O-CB 3.49Å; I64-F68 PolarHBondContact O-N 2.94Å; I64-I78 HydrophobicContact CG2-CD1 3.66Å; I64-I96 HydrophobicContact CD1-CD1 4.18Å; I64-I96 HydrophobicContact CD1-CG1 4.43Å; I64-I96 HydrophobicContact CG2-CD1 4.01Å; I64-I96 HydrophobicContact CG2-CG1 4.39Å
65K97.3Very high96.6Very high128 Ų12860.8 Ų60.856%0.55734%0.343SS*.Hα-helixtrans-62.9-38.3176.6-170.2174.7-175.3174.10112.1L61 V62 Q63 K69L61-K65 PolarHBondContact O-N 3.47Å; V62-K65 PolarHBondContact O-N 3.42Å; Q63-K65 VanDerWaalsContact C-N 3.31Å; Q63-K65 PolarHBondContact O-N 2.87Å; K65-K69 WeakPolarHBondContact O-CG 3.34Å; K65-K69 PolarHBondContact O-N 3.14Å
66A97.8Very high96.9Very high54 Ų5461.2 Ų61.245%0.44635%0.347SS..Hα-helixtrans-69.1-48.717600000111.8V62 Q63 I64 F68 K69V62-A66 PolarHBondContact O-N 2.57Å; Q63-A66 PolarHBondContact O-N 3.03Å; Q63-A66 VanDerWaalsContact O-N 3.13Å; I64-A66 VanDerWaalsContact C-N 3.31Å; I64-A66 PolarHBondContact O-N 3.24Å; A66-F68 VanDerWaalsContact C-N 3.32Å; A66-F68 PolarHBondContact O-N 3.24Å; A66-K69 WeakPolarHBondContact O-CB 3.47Å; A66-K69 PolarHBondContact O-N 3.06Å
67A98.3Very high96.8Very high9 Ų961.2 Ų61.27%0.07435%0.345CS..Hα-helixtrans-61.4-39.9177.700000111.8L29 L32 Q63 I64 K69 L70L29-A67 HydrophobicContact CB-CB 4.25Å; L29-A67 HydrophobicContact CD1-CB 4.16Å; L32-A67 HydrophobicContact CD1-CB 3.69Å; Q63-A67 WeakPolarHBondContact O-CB 3.47Å; Q63-A67 PolarHBondContact O-N 3.27Å; I64-A67 PolarHBondContact O-N 3.01Å; A67-K69 VanDerWaalsContact C-N 3.28Å; A67-K69 PolarHBondContact O-N 3.48Å; A67-L70 WeakPolarHBondContact O-CB 3.44Å; A67-L70 PolarHBondContact O-N 3.42Å; A67-L70 VanDerWaalsContact O-N 3.07Å
68F98.2Very high96.8Very high29 Ų2962 Ų6213%0.12735%0.349CS..Hα-helixtrans-63-32.9178.7-175.8-118.1000112.8L29 I64 A66 L70 V71 H72 F75 S77 I78L29-F68 HydrophobicContact CD1-CB 4.39Å; L29-F68 HydrophobicContact CD2-CB 4.44Å; L29-F68 HydrophobicContact CD2-CD2 3.89Å; I64-F68 VanDerWaalsContact O-CB 3.23Å; I64-F68 WeakPolarHBondContact O-CB 3.49Å; I64-F68 PolarHBondContact O-N 2.94Å; A66-F68 VanDerWaalsContact C-N 3.32Å; A66-F68 PolarHBondContact O-N 3.24Å; F68-L70 PolarHBondContact O-N 3.22Å; F68-V71 HydrophobicContact CD2-CG2 3.75Å; F68-V71 HydrophobicContact CE2-CG2 4.2Å; F68-V71 WeakPolarHBondContact O-CG2 3.38Å; F68-V71 PolarHBondContact O-N 3.46Å; F68-V71 VanDerWaalsContact O-N 3.12Å; F68-H72 AromaticContact CE1-CD2 3.52Å; F68-H72 AromaticContact CZ-CD2 3.84Å; F68-H72 PolarHBondContact O-N 3.46Å; F68-F75 HydrophobicContact CE2-CB 4.38Å; F68-F75 WeakPolarHBondContact CZ-O 3.45Å; F68-S77 VanDerWaalsContact CZ-CA 3.42Å; F68-I78 HydrophobicContact CB-CD1 4.14Å; F68-I78 HydrophobicContact CB-CG1 4.11Å; F68-I78 HydrophobicContact CD1-CD1 4.28Å; F68-I78 HydrophobicContact CD1-CG1 3.96Å; F68-I78 HydrophobicContact CD2-CD1 4.4Å; F68-I78 HydrophobicContact CD2-CG1 3.47Å; F68-I78 VanDerWaalsContact CD2-CG1 3.47Å; F68-I78 HydrophobicContact CE1-CG1 4.29Å; F68-I78 HydrophobicContact CE2-CG1 3.87Å; F68-I78 HydrophobicContact CG-CD1 4.01Å; F68-I78 HydrophobicContact CG-CG1 3.55Å; F68-I78 HydrophobicContact CZ-CG1 4.29Å
69K97.5Very high96.9Very high152 Ų15263.4 Ų63.466%0.66136%0.356SS*.Hα-helixtrans-60.4-31.9174.8-71.9173.9180-176.70112.8K65 A66 A67 V71K65-K69 WeakPolarHBondContact O-CG 3.34Å; K65-K69 PolarHBondContact O-N 3.14Å; A66-K69 WeakPolarHBondContact O-CB 3.47Å; A66-K69 PolarHBondContact O-N 3.06Å; A67-K69 VanDerWaalsContact C-N 3.28Å; A67-K69 PolarHBondContact O-N 3.48Å; K69-V71 VanDerWaalsContact C-N 3.26Å; K69-V71 PolarHBondContact O-N 3.31Å
70L97Very high96.9Very high114 Ų11461 Ų6160%0.59735%0.35SS*.Hα-helixtrans-73.6-19.2-179.9-57.8177000112.6N25 A67 F68N25-L70 HydrophobicContact CB-CB 4.3Å; A67-L70 WeakPolarHBondContact O-CB 3.44Å; A67-L70 PolarHBondContact O-N 3.42Å; A67-L70 VanDerWaalsContact O-N 3.07Å; F68-L70 PolarHBondContact O-N 3.22Å
71V96.5Very high96.9Very high2 Ų260.3 Ų60.31%0.01235%0.346CS..Hα-helixtrans-115.5-3.4-176.9-48.20000113.2N25 Y26 L29 F68 K69 G73 E74 F75 F81N25-V71 HydrophobicContact CB-CG1 3.96Å; Y26-V71 HydrophobicContact CD1-CB 4.1Å; Y26-V71 HydrophobicContact CD1-CG1 3.56Å; Y26-V71 HydrophobicContact CE1-CB 4.02Å; Y26-V71 HydrophobicContact CE1-CG1 3.9Å; L29-V71 HydrophobicContact CD2-CG2 3.55Å; F68-V71 HydrophobicContact CD2-CG2 3.75Å; F68-V71 HydrophobicContact CE2-CG2 4.2Å; F68-V71 WeakPolarHBondContact O-CG2 3.38Å; F68-V71 PolarHBondContact O-N 3.46Å; F68-V71 VanDerWaalsContact O-N 3.12Å; K69-V71 VanDerWaalsContact C-N 3.26Å; K69-V71 PolarHBondContact O-N 3.31Å; V71-G73 PolarHBondContact O-N 2.85Å; V71-G73 VanDerWaalsContact O-N 3.11Å; V71-E74 PolarHBondContact O-N 3.07Å; V71-F75 HydrophobicContact CB-CD2 4.31Å; V71-F75 HydrophobicContact CG2-CD2 4.44Å; V71-F75 PolarHBondContact O-N 3.45Å; V71-F75 VanDerWaalsContact O-N 3.08Å; V71-F81 HydrophobicContact CG2-CD2 4.42Å
72H91.5Very high96.9Very high102 Ų10259.8 Ų59.847%0.47234%0.343SS..THydrogen-bonded Turntrans-59.3-25.4-175.5-172.1-74.1000113.4F68 E74 F75F68-H72 AromaticContact CE1-CD2 3.52Å; F68-H72 AromaticContact CZ-CD2 3.84Å; F68-H72 PolarHBondContact O-N 3.46Å; H72-E74 PolarHBondContact O-N 2.97Å; H72-F75 WeakPolarHBondContact CA-O 3.34Å
73G92.8Very high96.9Very high82 Ų8259.2 Ų59.285%0.84534%0.344SS*.THydrogen-bonded Turntrans-62.6-28.3176.200000113.5V71V71-G73 PolarHBondContact O-N 2.85Å; V71-G73 VanDerWaalsContact O-N 3.11Å
74E95.2Very high96.9Very high100 Ų10062.3 Ų62.347%0.46736%0.356SS..THydrogen-bonded Turntrans-110.4-22.7-177.2-69.5172.4-77.800112.6R22 Y26 V71 H72R22-E74 WeakPolarHBondContact CD-OE1 3.32Å; R22-E74 VanDerWaalsContact CD-OE2 3.31Å; R22-E74 WeakPolarHBondContact CD-OE2 3.44Å; R22-E74 IonicContact CZ-OE2 2.8Å; R22-E74 IonicContact NE-OE2 3.86Å; R22-E74 IonicContact NH1-OE2 2.84Å; R22-E74 PolarHBondContact NH1-OE2 2.94Å; Y26-E74 PolarHBondContact OH-OE1 3.32Å; Y26-E74 PolarHBondContact OH-OE2 2.9Å; V71-E74 PolarHBondContact O-N 3.07Å; H72-E74 PolarHBondContact O-N 2.97Å
75F97.1Very high96.8Very high12 Ų1265.1 Ų65.15%0.05337%0.368CS..  trans-126.3113.4178.9-60.5-81.1000111.2Y26 F68 V71 H72 S77 I80 F81 F84 F85Y26-F75 HydrophobicContact CD1-CE2 4.27Å; Y26-F75 HydrophobicContact CE1-CD2 4.3Å; Y26-F75 AromaticContact CE1-CE2 3.71Å; Y26-F75 HydrophobicContact CE1-CE2 3.71Å; Y26-F75 HydrophobicContact CE2-CE2 4.31Å; Y26-F75 AromaticContact CZ-CE2 3.71Å; F68-F75 HydrophobicContact CE2-CB 4.38Å; F68-F75 WeakPolarHBondContact CZ-O 3.45Å; V71-F75 HydrophobicContact CB-CD2 4.31Å; V71-F75 HydrophobicContact CG2-CD2 4.44Å; V71-F75 PolarHBondContact O-N 3.45Å; V71-F75 VanDerWaalsContact O-N 3.08Å; H72-F75 WeakPolarHBondContact CA-O 3.34Å; F75-S77 PolarHBondContact O-N 3.35Å; F75-I80 HydrophobicContact CD1-CG2 4.26Å; F75-F81 HydrophobicContact CB-CB 4.12Å; F75-F81 HydrophobicContact CD1-CB 4.04Å; F75-F81 HydrophobicContact CD1-CD2 4.27Å; F75-F81 AromaticContact CD2-CD2 3.64Å; F75-F81 HydrophobicContact CD2-CD2 3.64Å; F75-F81 HydrophobicContact CD2-CE2 4.41Å; F75-F81 HydrophobicContact CE1-CD2 4.36Å; F75-F81 AromaticContact CE2-CD2 3.73Å; F75-F81 HydrophobicContact CE2-CD2 3.73Å; F75-F81 HydrophobicContact CE2-CE2 4.19Å; F75-F81 HydrophobicContact CG-CB 3.99Å; F75-F81 AromaticContact CG-CD2 3.91Å; F75-F81 HydrophobicContact CG-CD2 3.91Å; F75-F81 HydrophobicContact CG-CG 4.47Å; F75-F81 HydrophobicContact CZ-CD2 4.1Å; F75-F84 HydrophobicContact CE1-CB 3.74Å; F75-F84 AromaticContact CE1-CD1 3.85Å; F75-F84 HydrophobicContact CE1-CD1 3.85Å; F75-F84 HydrophobicContact CE1-CD2 4.16Å; F75-F84 HydrophobicContact CE1-CE1 4.5Å; F75-F84 AromaticContact CE1-CG 3.65Å; F75-F84 HydrophobicContact CE1-CG 3.65Å; F75-F84 AromaticContact CZ-CD1 3.85Å; F75-F84 HydrophobicContact CZ-CD1 3.85Å; F75-F84 HydrophobicContact CZ-CE1 4.2Å; F75-F84 HydrophobicContact CZ-CG 4.14Å; F75-F85 HydrophobicContact CE1-CE2 4.43Å; F75-F85 HydrophobicContact CE2-CE2 4.14Å; F75-F85 AromaticContact CZ-CE2 3.69Å; F75-F85 HydrophobicContact CZ-CE2 3.69Å; F75-F85 HydrophobicContact CZ-CZ 4.29Å
76A96.4Very high96.8Very high75 Ų7569.5 Ų69.562%0.6238%0.382SS*.SBendtrans-67.5-21-177.900000114.2I80A76-I80 HydrophobicContact CB-CD1 4.04Å
77S96.9Very high96.8Very high38 Ų3867.7 Ų67.727%0.26636%0.364SS..SBendtrans-154.3157.1176.173.90000111.9F68 F75 I80 F81F68-S77 VanDerWaalsContact CZ-CA 3.42Å; F75-S77 PolarHBondContact O-N 3.35Å; S77-I80 WeakPolarHBondContact O-CB 3.25Å; S77-I80 PolarHBondContact O-N 2.86Å; S77-I80 VanDerWaalsContact O-N 3.13Å; S77-I80 WeakPolarHBondContact OG-CD1 3.3Å; S77-I80 VanDerWaalsContact OG-CG1 3.31Å; S77-I80 WeakPolarHBondContact OG-CG1 3.45Å; S77-I80 PolarHBondContact OG-N 3.48Å; S77-F81 PolarHBondContact O-N 3.47Å; S77-F81 VanDerWaalsContact O-N 3.11Å
78I97.8Very high96.7Very high16 Ų1676.3 Ų76.38%0.08240%0.4CS..Hα-helixtrans-57.9-42.2175.5-66.9170.2000112L33 I64 F68 I80 F81 A82 L93 I96L33-I78 HydrophobicContact CD1-CG2 4.03Å; L33-I78 HydrophobicContact CD2-CG2 3.69Å; I64-I78 HydrophobicContact CG2-CD1 3.66Å; F68-I78 HydrophobicContact CB-CD1 4.14Å; F68-I78 HydrophobicContact CB-CG1 4.11Å; F68-I78 HydrophobicContact CD1-CD1 4.28Å; F68-I78 HydrophobicContact CD1-CG1 3.96Å; F68-I78 HydrophobicContact CD2-CD1 4.4Å; F68-I78 HydrophobicContact CD2-CG1 3.47Å; F68-I78 VanDerWaalsContact CD2-CG1 3.47Å; F68-I78 HydrophobicContact CE1-CG1 4.29Å; F68-I78 HydrophobicContact CE2-CG1 3.87Å; F68-I78 HydrophobicContact CG-CD1 4.01Å; F68-I78 HydrophobicContact CG-CG1 3.55Å; F68-I78 HydrophobicContact CZ-CG1 4.29Å; I78-I80 VanDerWaalsContact C-N 3.29Å; I78-I80 PolarHBondContact O-N 2.93Å; I78-F81 WeakPolarHBondContact O-CB 3.34Å; I78-F81 PolarHBondContact O-N 3.36Å; I78-A82 WeakPolarHBondContact O-CB 3.22Å; I78-A82 PolarHBondContact O-N 2.96Å; I78-L93 HydrophobicContact CG2-CD2 3.87Å; I78-I96 HydrophobicContact CD1-CD1 4.47Å; I78-I96 HydrophobicContact CD1-CG2 3.84Å; I78-I96 HydrophobicContact CG2-CD1 4.15Å
79P97.3Very high96.7Very high74 Ų7475 Ų7548%0.48139%0.394SS..Hα-helixtrans-58.3-36.7173.8-28.235.5000114.2A82 S83 L93P79-A82 PolarHBondContact O-N 3.37Å; P79-S83 WeakPolarHBondContact O-CB 3.28Å; P79-S83 PolarHBondContact O-N 3.19Å; P79-L93 HydrophobicContact CG-CD2 4.24Å
80I97.5Very high96.7Very high86 Ų8671.8 Ų71.844%0.44139%0.389SS..Hα-helixtrans-66.7-45.3176.5-66.1166.8000110F75 A76 S77 I78 A82 S83 F84F75-I80 HydrophobicContact CD1-CG2 4.26Å; A76-I80 HydrophobicContact CB-CD1 4.04Å; S77-I80 WeakPolarHBondContact O-CB 3.25Å; S77-I80 PolarHBondContact O-N 2.86Å; S77-I80 VanDerWaalsContact O-N 3.13Å; S77-I80 WeakPolarHBondContact OG-CD1 3.3Å; S77-I80 VanDerWaalsContact OG-CG1 3.31Å; S77-I80 WeakPolarHBondContact OG-CG1 3.45Å; S77-I80 PolarHBondContact OG-N 3.48Å; I78-I80 VanDerWaalsContact C-N 3.29Å; I78-I80 PolarHBondContact O-N 2.93Å; I80-A82 PolarHBondContact O-N 3.43Å; I80-S83 PolarHBondContact O-N 3.36Å; I80-F84 WeakPolarHBondContact O-CB 3.47Å; I80-F84 PolarHBondContact O-N 2.91Å
81F98.2Very high96.7Very high0 Ų067.4 Ų67.40%037%0.368CS..Hα-helixtrans-57.1-49.2173.7176.7-85.2000111.7Y26 L29 L33 V71 F75 S77 I78 S83 F84 F85Y26-F81 HydrophobicContact CD1-CE2 4.18Å; Y26-F81 HydrophobicContact CG-CE2 4.28Å; Y26-F81 WeakPolarHBondContact O-CZ 3.34Å; L29-F81 HydrophobicContact CB-CE1 4.28Å; L29-F81 HydrophobicContact CB-CZ 4.06Å; L29-F81 HydrophobicContact CD2-CD1 3.81Å; L29-F81 HydrophobicContact CD2-CD2 3.89Å; L29-F81 HydrophobicContact CD2-CE1 3.94Å; L29-F81 HydrophobicContact CD2-CE2 3.98Å; L29-F81 HydrophobicContact CD2-CG 3.81Å; L29-F81 HydrophobicContact CD2-CZ 4.03Å; L29-F81 HydrophobicContact CG-CD1 4.17Å; L29-F81 HydrophobicContact CG-CE1 3.92Å; L29-F81 HydrophobicContact CG-CZ 4.13Å; L33-F81 HydrophobicContact CD1-CD1 3.83Å; L33-F81 HydrophobicContact CD1-CE1 4.02Å; V71-F81 HydrophobicContact CG2-CD2 4.42Å; F75-F81 HydrophobicContact CB-CB 4.12Å; F75-F81 HydrophobicContact CD1-CB 4.04Å; F75-F81 HydrophobicContact CD1-CD2 4.27Å; F75-F81 AromaticContact CD2-CD2 3.64Å; F75-F81 HydrophobicContact CD2-CD2 3.64Å; F75-F81 HydrophobicContact CD2-CE2 4.41Å; F75-F81 HydrophobicContact CE1-CD2 4.36Å; F75-F81 AromaticContact CE2-CD2 3.73Å; F75-F81 HydrophobicContact CE2-CD2 3.73Å; F75-F81 HydrophobicContact CE2-CE2 4.19Å; F75-F81 HydrophobicContact CG-CB 3.99Å; F75-F81 AromaticContact CG-CD2 3.91Å; F75-F81 HydrophobicContact CG-CD2 3.91Å; F75-F81 HydrophobicContact CG-CG 4.47Å; F75-F81 HydrophobicContact CZ-CD2 4.1Å; S77-F81 PolarHBondContact O-N 3.47Å; S77-F81 VanDerWaalsContact O-N 3.11Å; I78-F81 WeakPolarHBondContact O-CB 3.34Å; I78-F81 PolarHBondContact O-N 3.36Å; F81-S83 VanDerWaalsContact C-N 3.33Å; F81-S83 PolarHBondContact O-N 3.19Å; F81-F84 PolarHBondContact O-N 3.44Å; F81-F85 HydrophobicContact CD1-CD2 4.21Å; F81-F85 AromaticContact CD2-CD2 3.87Å; F81-F85 HydrophobicContact CD2-CD2 3.87Å; F81-F85 AromaticContact CD2-CE2 3.74Å; F81-F85 HydrophobicContact CD2-CE2 3.74Å; F81-F85 AromaticContact CE1-CD2 3.89Å; F81-F85 HydrophobicContact CE1-CD2 3.89Å; F81-F85 HydrophobicContact CE1-CE2 4.45Å; F81-F85 AromaticContact CE2-CD2 3.55Å; F81-F85 HydrophobicContact CE2-CD2 3.55Å; F81-F85 AromaticContact CE2-CE2 3.28Å; F81-F85 HydrophobicContact CE2-CE2 3.28Å; F81-F85 HydrophobicContact CE2-CZ 4.4Å; F81-F85 HydrophobicContact CG-CD2 4.19Å; F81-F85 HydrophobicContact CG-CE2 4.49Å; F81-F85 AromaticContact CZ-CD2 3.54Å; F81-F85 HydrophobicContact CZ-CD2 3.54Å; F81-F85 AromaticContact CZ-CE2 3.68Å; F81-F85 HydrophobicContact CZ-CE2 3.68Å; F81-F85 PolarHBondContact O-N 2.83Å; F81-F85 VanDerWaalsContact O-N 3.1Å
82A98Very high96.8Very high2 Ų267.3 Ų67.32%0.01737%0.367CS..Hα-helixtrans-60.7-42.1-179.900000111.9I78 P79 I80 R86 L87I78-A82 WeakPolarHBondContact O-CB 3.22Å; I78-A82 PolarHBondContact O-N 2.96Å; P79-A82 PolarHBondContact O-N 3.37Å; I80-A82 PolarHBondContact O-N 3.43Å; A82-R86 CarbonylContact O-C 3.54Å; A82-R86 WeakPolarHBondContact O-CA 3.29Å; A82-R86 PolarHBondContact O-N 3.17Å; A82-L87 HydrophobicContact CB-CB 4.33Å; A82-L87 PolarHBondContact O-N 3.17Å
83S97.4Very high97.1Very high92 Ų9264.9 Ų64.964%0.64336%0.358SS*.Hα-helixtrans-64.2-45.3175.8-175.70000112.1P79 I80 F81 F85 R86P79-S83 WeakPolarHBondContact O-CB 3.28Å; P79-S83 PolarHBondContact O-N 3.19Å; I80-S83 PolarHBondContact O-N 3.36Å; F81-S83 VanDerWaalsContact C-N 3.33Å; F81-S83 PolarHBondContact O-N 3.19Å; S83-F85 PolarHBondContact O-N 3.5Å; S83-R86 PolarHBondContact O-N 2.95Å
84F97.2Very high97.3Very high139 Ų13966.6 Ų66.661%0.6134%0.344SS*.Hα-helixtrans-58.2-47-179.9-176.7-90.8000112.1F75 I80 F81 R86F75-F84 HydrophobicContact CE1-CB 3.74Å; F75-F84 AromaticContact CE1-CD1 3.85Å; F75-F84 HydrophobicContact CE1-CD1 3.85Å; F75-F84 HydrophobicContact CE1-CD2 4.16Å; F75-F84 HydrophobicContact CE1-CE1 4.5Å; F75-F84 AromaticContact CE1-CG 3.65Å; F75-F84 HydrophobicContact CE1-CG 3.65Å; F75-F84 AromaticContact CZ-CD1 3.85Å; F75-F84 HydrophobicContact CZ-CD1 3.85Å; F75-F84 HydrophobicContact CZ-CE1 4.2Å; F75-F84 HydrophobicContact CZ-CG 4.14Å; I80-F84 WeakPolarHBondContact O-CB 3.47Å; I80-F84 PolarHBondContact O-N 2.91Å; F81-F84 PolarHBondContact O-N 3.44Å; F84-R86 VanDerWaalsContact C-N 3.28Å; F84-R86 PolarHBondContact O-N 3.14Å
85F97.4Very high97.3Very high61 Ų6162 Ų6227%0.26832%0.322SS..THydrogen-bonded Turntrans-87.36.8177.3-69.6-71.2000113.9Y26 Y30 F75 F81 S83 L87Y26-F85 HydrophobicContact CD2-CE2 4.26Å; Y26-F85 AromaticContact CD2-CZ 3.64Å; Y26-F85 HydrophobicContact CD2-CZ 3.64Å; Y26-F85 HydrophobicContact CE2-CZ 4.17Å; Y26-F85 HydrophobicContact CG-CE2 4.35Å; Y26-F85 HydrophobicContact CG-CZ 4.12Å; Y30-F85 HydrophobicContact CD2-CB 4.1Å; Y30-F85 HydrophobicContact CE2-CB 4.13Å; F75-F85 HydrophobicContact CE1-CE2 4.43Å; F75-F85 HydrophobicContact CE2-CE2 4.14Å; F75-F85 AromaticContact CZ-CE2 3.69Å; F75-F85 HydrophobicContact CZ-CE2 3.69Å; F75-F85 HydrophobicContact CZ-CZ 4.29Å; F81-F85 HydrophobicContact CD1-CD2 4.21Å; F81-F85 AromaticContact CD2-CD2 3.87Å; F81-F85 HydrophobicContact CD2-CD2 3.87Å; F81-F85 AromaticContact CD2-CE2 3.74Å; F81-F85 HydrophobicContact CD2-CE2 3.74Å; F81-F85 AromaticContact CE1-CD2 3.89Å; F81-F85 HydrophobicContact CE1-CD2 3.89Å; F81-F85 HydrophobicContact CE1-CE2 4.45Å; F81-F85 AromaticContact CE2-CD2 3.55Å; F81-F85 HydrophobicContact CE2-CD2 3.55Å; F81-F85 AromaticContact CE2-CE2 3.28Å; F81-F85 HydrophobicContact CE2-CE2 3.28Å; F81-F85 HydrophobicContact CE2-CZ 4.4Å; F81-F85 HydrophobicContact CG-CD2 4.19Å; F81-F85 HydrophobicContact CG-CE2 4.49Å; F81-F85 AromaticContact CZ-CD2 3.54Å; F81-F85 HydrophobicContact CZ-CD2 3.54Å; F81-F85 AromaticContact CZ-CE2 3.68Å; F81-F85 HydrophobicContact CZ-CE2 3.68Å; F81-F85 PolarHBondContact O-N 2.83Å; F81-F85 VanDerWaalsContact O-N 3.1Å; S83-F85 PolarHBondContact O-N 3.5Å; F85-L87 VanDerWaalsContact C-N 3.27Å; F85-L87 HydrophobicContact CB-CD1 3.37Å; F85-L87 PolarHBondContact O-N 3.22Å
86R97.3Very high97.3Very high221 Ų22163.1 Ų63.183%0.83433%0.328SS*.THydrogen-bonded Turntrans55.535179.3-53.1179.1-179.5-177.8-0.5113.8A82 S83 F84 K88A82-R86 CarbonylContact O-C 3.54Å; A82-R86 WeakPolarHBondContact O-CA 3.29Å; A82-R86 PolarHBondContact O-N 3.17Å; S83-R86 PolarHBondContact O-N 2.95Å; F84-R86 VanDerWaalsContact C-N 3.28Å; F84-R86 PolarHBondContact O-N 3.14Å; R86-K88 PolarHBondContact O-N 2.96Å
87L97.1Very high97.2Very high15 Ų1564.5 Ų64.58%0.07933%0.333CS..  trans-72.8123.3171.6-73.878.2000110.2Y30 L33 A82 F85 C89Y30-L87 HydrophobicContact CD1-CD2 4.4Å; Y30-L87 HydrophobicContact CD2-CD1 3.28Å; Y30-L87 HydrophobicContact CD2-CD2 3.96Å; Y30-L87 HydrophobicContact CD2-CG 3.86Å; Y30-L87 HydrophobicContact CE1-CD2 4.49Å; Y30-L87 HydrophobicContact CE2-CD1 3.11Å; Y30-L87 HydrophobicContact CE2-CD2 4.05Å; Y30-L87 HydrophobicContact CE2-CG 3.52Å; Y30-L87 HydrophobicContact CG-CD1 4.21Å; Y30-L87 HydrophobicContact CG-CD2 4.09Å; Y30-L87 HydrophobicContact CG-CG 4.45Å; L33-L87 HydrophobicContact CB-CD2 3.87Å; L33-L87 HydrophobicContact CD1-CD2 4.19Å; A82-L87 HydrophobicContact CB-CB 4.33Å; A82-L87 PolarHBondContact O-N 3.17Å; F85-L87 VanDerWaalsContact C-N 3.27Å; F85-L87 HydrophobicContact CB-CD1 3.37Å; F85-L87 PolarHBondContact O-N 3.22Å; L87-C89 PolarHBondContact O-N 3.31Å
88K96.5Very high96.9Very high190 Ų19066.1 Ų66.183%0.82634%0.337SS*.  trans-90.390.4167.1-69.9-172.3175.7-1760109.7R86 P90R86-K88 PolarHBondContact O-N 2.96Å; K88-P90 VanDerWaalsContact C-CD 3.48Å
89C97.9Very high96.6Very high1 Ų170 Ų701%0.00736%0.358CS..  trans-131.354.1-178.356.30000113.5E37 L87 S91 A92 L93E37-C89 HydrophobicContact CB-CB 3.96Å; E37-C89 VanDerWaalsContact CD-CA 3.46Å; E37-C89 HydrophobicContact CG-CB 4.1Å; E37-C89 WeakPolarHBondContact OE2-CA 3.25Å; L87-C89 PolarHBondContact O-N 3.31Å; C89-S91 VanDerWaalsContact C-N 3.34Å; C89-S91 PolarHBondContact O-N 2.63Å; C89-A92 HydrophobicContact CB-CB 4Å; C89-A92 PolarHBondContact O-N 3.35Å; C89-L93 WeakPolarHBondContact O-CG 3.29Å; C89-L93 PolarHBondContact O-N 2.97Å
90P97.7Very high96.3Very high85 Ų8569 Ų6955%0.55234%0.344SS*.Hα-helixtrans-59.5-40-174.725.8-35.5000113.5E37 K88 L93 E94E37-P90 WeakPolarHBondContact OE1-CD 3.43Å; K88-P90 VanDerWaalsContact C-CD 3.48Å; P90-L93 PolarHBondContact O-N 3.33Å; P90-E94 PolarHBondContact O-N 2.93Å
91S97.6Very high96Very high22 Ų2265 Ų6515%0.15432%0.324CS..Hα-helixtrans-70-40.3-179.8-57.40000111.1E37 C89 L93 E94 R95E37-S91 WeakPolarHBondContact OE2-CA 3.23Å; E37-S91 WeakPolarHBondContact OE2-CB 3.43Å; E37-S91 PolarHBondContact OE2-N 3.18Å; C89-S91 VanDerWaalsContact C-N 3.34Å; C89-S91 PolarHBondContact O-N 2.63Å; S91-L93 PolarHBondContact O-N 2.95Å; S91-E94 PolarHBondContact O-N 3.46Å; S91-R95 VanDerWaalsContact O-CB 3.32Å; S91-R95 WeakPolarHBondContact O-CB 3.44Å; S91-R95 PolarHBondContact O-N 3.14Å
92A98.3Very high95.7Very high0 Ų069.4 Ų69.40%035%0.347CS..Hα-helixtrans-62-43.2173.200000111.9L36 E37 C89 R95 I96L36-A92 HydrophobicContact CB-CB 4.05Å; L36-A92 HydrophobicContact CD2-CB 4Å; L36-A92 HydrophobicContact CG-CB 3.94Å; E37-A92 HydrophobicContact CB-CB 4.07Å; E37-A92 PolarHBondContact OE2-N 2.96Å; C89-A92 HydrophobicContact CB-CB 4Å; C89-A92 PolarHBondContact O-N 3.35Å; A92-R95 PolarHBondContact O-N 3Å; A92-I96 WeakPolarHBondContact O-CB 3.08Å; A92-I96 WeakPolarHBondContact O-CD1 3.38Å; A92-I96 WeakPolarHBondContact O-CG1 3.25Å; A92-I96 PolarHBondContact O-N 3.42Å
93L98Very high95.2Very high52 Ų5271.4 Ų71.427%0.27236%0.359SS..Hα-helixtrans-63.8-41.5179-71.5178.9000112.3I78 P79 C89 P90 S91 I96 S97I78-L93 HydrophobicContact CG2-CD2 3.87Å; P79-L93 HydrophobicContact CG-CD2 4.24Å; C89-L93 WeakPolarHBondContact O-CG 3.29Å; C89-L93 PolarHBondContact O-N 2.97Å; P90-L93 PolarHBondContact O-N 3.33Å; S91-L93 PolarHBondContact O-N 2.95Å; L93-I96 PolarHBondContact O-N 3.48Å; L93-S97 WeakPolarHBondContact O-CB 3.44Å; L93-S97 PolarHBondContact O-N 3.45Å
94E96.2Very high94.4Very high118 Ų11870.8 Ų70.855%0.55135%0.348SS*.Hα-helixtrans-60.9-48173.2-176.2168.7-144.700110.8P90 S91 I96 S97 E98P90-E94 PolarHBondContact O-N 2.93Å; S91-E94 PolarHBondContact O-N 3.46Å; E94-I96 VanDerWaalsContact C-N 3.32Å; E94-I96 PolarHBondContact O-N 3.36Å; E94-S97 WeakPolarHBondContact O-CB 3.3Å; E94-S97 PolarHBondContact O-N 2.95Å; E94-S97 VanDerWaalsContact O-N 3.07Å; E94-E98 PolarHBondContact O-N 2.95Å
95R96.1Very high93.1Very high4 Ų472 Ų722%0.01535%0.353CS..Hα-helixtrans-60.6-39.1178.4-172.853.560.5-134.5-24.9113.1L36 E40 Y53 L61 S91 A92 E98 N99 R100 I102L36-R95 HydrophobicContact CD1-CG 4.17Å; L36-R95 HydrophobicContact CD2-CB 4.25Å; L36-R95 HydrophobicContact CD2-CG 4.15Å; E40-R95 HydrophobicContact CG-CB 4.43Å; E40-R95 IonicContact OE1-NE 2.7Å; E40-R95 PolarHBondContact OE1-NE 3.46Å; E40-R95 VanDerWaalsContact OE1-NE 3.09Å; E40-R95 IonicContact OE2-CZ 3.76Å; E40-R95 IonicContact OE2-NE 3.94Å; E40-R95 PolarHBondContact OE2-NE 3.28Å; E40-R95 VanDerWaalsContact OE2-NE 3.09Å; E40-R95 IonicContact OE2-NH2 2.74Å; E40-R95 PolarHBondContact OE2-NH2 3.05Å; Y53-R95 PolarHBondContact OH-NE 3.29Å; L61-R95 HydrophobicContact CD1-CG 4.37Å; L61-R95 HydrophobicContact CD2-CG 4.24Å; S91-R95 VanDerWaalsContact O-CB 3.32Å; S91-R95 WeakPolarHBondContact O-CB 3.44Å; S91-R95 PolarHBondContact O-N 3.14Å; A92-R95 PolarHBondContact O-N 3Å; R95-E98 IonicContact CZ-OE2 3.59Å; R95-E98 IonicContact NH1-OE2 3.82Å; R95-E98 PolarHBondContact NH1-OE2 3.19Å; R95-E98 IonicContact NH2-OE2 3.29Å; R95-E98 PolarHBondContact O-N 3.29Å; R95-N99 PolarHBondContact O-N 2.98Å; R95-R100 WeakPolarHBondContact CD-O 3.45Å; R95-R100 PolarHBondContact NH1-O 3.21Å; R95-I102 VanDerWaalsContact CZ-N 3.3Å; R95-I102 VanDerWaalsContact NH1-N 3.19Å; R95-I102 VanDerWaalsContact NH2-CB 3.29Å
96I96.6Very high91.4Very high35 Ų3573 Ų7318%0.17936%0.361CS..Hα-helixtrans-68.1-39.3175-69.4161.5000110.9L33 L36 L61 I64 I78 A92 L93 E94 N99L33-I96 HydrophobicContact CD2-CD1 3.37Å; L36-I96 HydrophobicContact CD2-CD1 4.23Å; L36-I96 HydrophobicContact CD2-CG1 3.92Å; L61-I96 HydrophobicContact CD2-CG1 3.93Å; I64-I96 HydrophobicContact CD1-CD1 4.18Å; I64-I96 HydrophobicContact CD1-CG1 4.43Å; I64-I96 HydrophobicContact CG2-CD1 4.01Å; I64-I96 HydrophobicContact CG2-CG1 4.39Å; I78-I96 HydrophobicContact CD1-CD1 4.47Å; I78-I96 HydrophobicContact CD1-CG2 3.84Å; I78-I96 HydrophobicContact CG2-CD1 4.15Å; A92-I96 WeakPolarHBondContact O-CB 3.08Å; A92-I96 WeakPolarHBondContact O-CD1 3.38Å; A92-I96 WeakPolarHBondContact O-CG1 3.25Å; A92-I96 PolarHBondContact O-N 3.42Å; L93-I96 PolarHBondContact O-N 3.48Å; E94-I96 VanDerWaalsContact C-N 3.32Å; E94-I96 PolarHBondContact O-N 3.36Å; I96-N99 PolarHBondContact O-N 3.33Å
97S93.8Very high89.7Confident104 Ų10464 Ų6473%0.72733%0.329SS*.Hα-helixtrans-63.8-40.1176-1730000111.9L93 E94L93-S97 WeakPolarHBondContact O-CB 3.44Å; L93-S97 PolarHBondContact O-N 3.45Å; E94-S97 WeakPolarHBondContact O-CB 3.3Å; E94-S97 PolarHBondContact O-N 2.95Å; E94-S97 VanDerWaalsContact O-N 3.07Å
98E91Very high87.8Confident71 Ų7172 Ų7233%0.33236%0.363SS..Hα-helixtrans-76.6-24.2175.6-65.6-166.4150.100113.2E94 R95 R100E94-E98 PolarHBondContact O-N 2.95Å; R95-E98 IonicContact CZ-OE2 3.59Å; R95-E98 IonicContact NH1-OE2 3.82Å; R95-E98 PolarHBondContact NH1-OE2 3.19Å; R95-E98 IonicContact NH2-OE2 3.29Å; R95-E98 PolarHBondContact O-N 3.29Å; E98-R100 HydrophobicContact CB-CG 4.37Å; E98-R100 PolarHBondContact O-N 2.91Å; E98-R100 PolarHBondContact O-NH1 2.94Å; E98-R100 IonicContact OE1-NH2 2.68Å; E98-R100 IonicContact OE2-NH2 3.64Å
99N92Very high86.1Confident99 Ų9965.3 Ų65.353%0.52935%0.348SS..THydrogen-bonded Turntrans54.433.6179.8-169.759.3000114.1R95 I96R95-N99 PolarHBondContact O-N 2.98Å; I96-N99 PolarHBondContact O-N 3.33Å
100R89.7Confident84.8Confident52 Ų5268.1 Ų68.120%0.19636%0.363CS..SBendtrans-157.1149.917465.3-175.7178-90.1-14.8110.4R95 E98 I104 D106R95-R100 WeakPolarHBondContact CD-O 3.45Å; R95-R100 PolarHBondContact NH1-O 3.21Å; E98-R100 HydrophobicContact CB-CG 4.37Å; E98-R100 PolarHBondContact O-N 2.91Å; E98-R100 PolarHBondContact O-NH1 2.94Å; E98-R100 IonicContact OE1-NH2 2.68Å; E98-R100 IonicContact OE2-NH2 3.64Å; R100-I104 WeakPolarHBondContact CD-O 3.26Å; R100-I104 PolarHBondContact NE-O 3.5Å; R100-D106 VanDerWaalsContact CZ-CG 3.4Å; R100-D106 IonicContact CZ-OD2 3.09Å; R100-D106 VanDerWaalsContact CZ-OD2 3.31Å; R100-D106 IonicContact NH1-OD1 3.67Å; R100-D106 IonicContact NH1-OD2 3.09Å; R100-D106 PolarHBondContact NH1-OD2 2.77Å; R100-D106 IonicContact NH2-OD2 3.49Å; R100-D106 PolarHBondContact NH2-OD2 2.8Å
101P92.7Very high84Confident3 Ų366 Ų662%0.01935%0.349CS..  trans-56.2152.5170.3-21.832.5000113.2Y53 T54 C57 S58 T103 I104Y53-P101 HydrophobicContact CE1-CB 3.75Å; T54-P101 HydrophobicContact CG2-CB 4.24Å; T54-P101 HydrophobicContact CG2-CG 4.08Å; C57-P101 HydrophobicContact CB-CB 4.04Å; C57-P101 HydrophobicContact CB-CG 3.92Å; S58-P101 VanDerWaalsContact OG-CG 3.23Å; S58-P101 WeakPolarHBondContact OG-CG 3.42Å; P101-T103 PolarHBondContact O-N 3.32Å; P101-I104 HydrophobicContact CB-CG1 4.34Å; P101-I104 HydrophobicContact CG-CD1 4.14Å; P101-I104 HydrophobicContact CG-CG1 4.37Å; P101-I104 PolarHBondContact O-N 2.84Å
102I90.6Very high83.3Confident91 Ų9168.8 Ų68.847%0.46737%0.368SS..THydrogen-bonded Turntrans-64-25.3-178.2-155.3171.7000113.3Y43 Y53 R95 I104Y43-I102 HydrophobicContact CD1-CG2 3.72Å; Y43-I102 HydrophobicContact CE1-CG2 3.33Å; Y53-I102 HydrophobicContact CE1-CB 4.48Å; Y53-I102 HydrophobicContact CE1-CG2 3.73Å; Y53-I102 PolarHBondContact OH-N 2.89Å; R95-I102 VanDerWaalsContact CZ-N 3.3Å; R95-I102 VanDerWaalsContact NH1-N 3.19Å; R95-I102 VanDerWaalsContact NH2-CB 3.29Å; I102-I104 VanDerWaalsContact C-N 3.26Å; I102-I104 PolarHBondContact O-N 2.96Å
103T87.4Confident82.8Confident45 Ų4576.5 Ų76.528%0.27640%0.397SS..THydrogen-bonded Turntrans-71.6-20.9177.945.10000112.6Y43 P50 Y53 T54 P101Y43-T103 HydrophobicContact CE1-CG2 4.35Å; Y43-T103 HydrophobicContact CE2-CG2 4.29Å; Y43-T103 VanDerWaalsContact OH-CG2 3.25Å; Y43-T103 WeakPolarHBondContact OH-CG2 3.38Å; P50-T103 HydrophobicContact CB-CG2 4.25Å; Y53-T103 HydrophobicContact CD1-CG2 3.75Å; Y53-T103 HydrophobicContact CE1-CG2 3.94Å; T54-T103 WeakPolarHBondContact OG1-CB 3.33Å; T54-T103 PolarHBondContact OG1-OG1 3.47Å; P101-T103 PolarHBondContact O-N 3.32Å
104I81.9Confident82.4Confident79 Ų7974.1 Ų74.141%0.40539%0.385SS..SBendtrans-93.5111.5177.8-55-170.3000108.3T54 R100 P101 I102T54-I104 HydrophobicContact CG2-CD1 4.02Å; T54-I104 HydrophobicContact CG2-CG1 4.06Å; R100-I104 WeakPolarHBondContact CD-O 3.26Å; R100-I104 PolarHBondContact NE-O 3.5Å; P101-I104 HydrophobicContact CB-CG1 4.34Å; P101-I104 HydrophobicContact CG-CD1 4.14Å; P101-I104 HydrophobicContact CG-CG1 4.37Å; P101-I104 PolarHBondContact O-N 2.84Å; I102-I104 VanDerWaalsContact C-N 3.26Å; I102-I104 PolarHBondContact O-N 2.96Å
105K69.1Low82.2Confident165 Ų16570.8 Ų70.872%0.71737%0.37SS*.  trans-65.9135.8176.2-71.9-178.7178.7175.30110.5D107K105-D107 PolarHBondContact O-N 3.16Å; K105-D107 VanDerWaalsContact O-N 3.16Å
106D62.3Low82.1Confident81 Ų8173.3 Ų73.343%0.43339%0.392SS..  trans-74.6100.9171.4-157.8-5.8000109.9R100 K108R100-D106 VanDerWaalsContact CZ-CG 3.4Å; R100-D106 IonicContact CZ-OD2 3.09Å; R100-D106 VanDerWaalsContact CZ-OD2 3.31Å; R100-D106 IonicContact NH1-OD1 3.67Å; R100-D106 IonicContact NH1-OD2 3.09Å; R100-D106 PolarHBondContact NH1-OD2 2.77Å; R100-D106 IonicContact NH2-OD2 3.49Å; R100-D106 PolarHBondContact NH2-OD2 2.8Å; D106-K108 PolarHBondContact O-N 2.76Å; D106-K108 VanDerWaalsContact OD1-CA 3.26Å; D106-K108 WeakPolarHBondContact OD1-CA 3.45Å; D106-K108 PolarHBondContact OD1-N 3.43Å
107D60.3Low82.1Confident31 Ų3174.8 Ų74.817%0.16640%0.4CS..  trans-796.4165.9-76.3-3.9000111.5K105 G109 N110 T111 S154K105-D107 PolarHBondContact O-N 3.16Å; K105-D107 VanDerWaalsContact O-N 3.16Å; D107-G109 VanDerWaalsContact C-N 3.25Å; D107-G109 PolarHBondContact O-N 3.35Å; D107-N110 HydrophobicContact CB-CB 4.22Å; D107-N110 WeakPolarHBondContact O-CA 3.25Å; D107-N110 WeakPolarHBondContact O-CB 3.36Å; D107-N110 PolarHBondContact O-N 3.36Å; D107-T111 WeakPolarHBondContact CB-OG1 3.49Å; D107-T111 PolarHBondContact OD2-OG1 3.42Å; D107-S154 WeakPolarHBondContact OD1-CB 3.47Å; D107-S154 PolarHBondContact OD1-OG 2.86Å; D107-S154 PolarHBondContact OD2-OG 3.29Å
108K58.5Low82.2Confident183 Ų18369.8 Ų69.880%0.79637%0.366SS*.THydrogen-bonded Turntrans54.638.4-180-59.6-178.8178.5177.60113.3D106 N110D106-K108 PolarHBondContact O-N 2.76Å; D106-K108 VanDerWaalsContact OD1-CA 3.26Å; D106-K108 WeakPolarHBondContact OD1-CA 3.45Å; D106-K108 PolarHBondContact OD1-N 3.43Å; K108-N110 PolarHBondContact O-N 3.47Å
109G60Low82.5Confident50 Ų5068 Ų6852%0.51536%0.36SS..THydrogen-bonded Turntrans74.15.2-174.800000114.3D107 T111 S112D107-G109 VanDerWaalsContact C-N 3.25Å; D107-G109 PolarHBondContact O-N 3.35Å; G109-T111 PolarHBondContact O-N 3.41Å; G109-S112 PolarHBondContact O-OG 3.28Å; G109-S112 VanDerWaalsContact O-OG 3.08Å
110N71Confident82.8Confident61 Ų6166.4 Ų66.433%0.32636%0.356SS..Hα-helixtrans-70.7-22.7175.9-150.130.4000111.3D107 K108 R113 C114D107-N110 HydrophobicContact CB-CB 4.22Å; D107-N110 WeakPolarHBondContact O-CA 3.25Å; D107-N110 WeakPolarHBondContact O-CB 3.36Å; D107-N110 PolarHBondContact O-N 3.36Å; K108-N110 PolarHBondContact O-N 3.47Å; N110-R113 PolarHBondContact O-N 2.83Å; N110-C114 VanDerWaalsContact O-CB 3.23Å; N110-C114 WeakPolarHBondContact O-CB 3.37Å; N110-C114 PolarHBondContact O-N 2.82Å; N110-C114 PolarHBondContact O-SG 3.42Å
111T79.8Confident83.2Confident40 Ų4065 Ų6525%0.24535%0.352CS..Hα-helixtrans-62.8-49.2176-41.50000111.8D107 G109 R113 C114 I115 M153 S155D107-T111 WeakPolarHBondContact CB-OG1 3.49Å; D107-T111 PolarHBondContact OD2-OG1 3.42Å; G109-T111 PolarHBondContact O-N 3.41Å; T111-R113 VanDerWaalsContact C-N 3.32Å; T111-R113 PolarHBondContact O-N 2.88Å; T111-C114 PolarHBondContact O-N 3.5Å; T111-I115 HydrophobicContact CG2-CD1 3.96Å; T111-I115 HydrophobicContact CG2-CG1 4.48Å; T111-I115 WeakPolarHBondContact O-CB 3.3Å; T111-I115 WeakPolarHBondContact O-CG1 3.43Å; T111-I115 PolarHBondContact O-N 3.28Å; T111-M153 HydrophobicContact CG2-CE 3.88Å; T111-S155 WeakPolarHBondContact CG2-OG 3.33Å
112S84Confident83.4Confident81 Ų8164.8 Ų64.857%0.56635%0.351SS*.Hα-helixtrans-65.7-37.7-179.9540000111.9G109 A116G109-S112 PolarHBondContact O-OG 3.28Å; G109-S112 VanDerWaalsContact O-OG 3.08Å; S112-A116 PolarHBondContact O-N 2.92Å
113R87.2Confident83.8Confident162 Ų16263.7 Ų63.761%0.61135%0.345SS*.Hα-helixtrans-63-50.2171.8-179177.9-74.2153.2-4.6111.6N110 T111 I115 A116 D117N110-R113 PolarHBondContact O-N 2.83Å; T111-R113 VanDerWaalsContact C-N 3.32Å; T111-R113 PolarHBondContact O-N 2.88Å; R113-I115 VanDerWaalsContact C-N 3.29Å; R113-I115 PolarHBondContact O-N 3.47Å; R113-A116 PolarHBondContact O-N 3.14Å; R113-A116 VanDerWaalsContact O-N 3.14Å; R113-D117 WeakPolarHBondContact CG-OD2 3.46Å; R113-D117 WeakPolarHBondContact O-CB 3.37Å; R113-D117 VanDerWaalsContact O-CG 3.23Å; R113-D117 PolarHBondContact O-N 3.44Å
114C90.8Very high84.3Confident1 Ų163.9 Ų63.91%0.00735%0.346CS..Hα-helixtrans-59.3-41.3177.9-70.90000111.2N110 T111 D117 I118 T149 M153N110-C114 VanDerWaalsContact O-CB 3.23Å; N110-C114 WeakPolarHBondContact O-CB 3.37Å; N110-C114 PolarHBondContact O-N 2.82Å; N110-C114 PolarHBondContact O-SG 3.42Å; T111-C114 PolarHBondContact O-N 3.5Å; C114-D117 PolarHBondContact O-N 3.49Å; C114-I118 HydrophobicContact CB-CD1 4.4Å; C114-I118 VanDerWaalsContact O-CB 3.25Å; C114-I118 WeakPolarHBondContact O-CB 3.33Å; C114-I118 VanDerWaalsContact O-CD1 3.3Å; C114-I118 WeakPolarHBondContact O-CD1 3.47Å; C114-I118 WeakPolarHBondContact O-CG1 3.42Å; C114-I118 PolarHBondContact O-N 2.95Å; C114-T149 HydrophobicContact CB-CG2 4.18Å; C114-M153 HydrophobicContact CB-CB 4.12Å; C114-M153 HydrophobicContact CB-CG 4.33Å; C114-M153 HydrophobicContact CB-SD 4.4Å
115I92.3Very high85.1Confident48 Ų4860.1 Ų60.125%0.24633%0.327CS..Hα-helixtrans-59.6-49.6175.4-70.5165.2000110.5T111 R113 D117 I118 V119 M153 F201 L205T111-I115 HydrophobicContact CG2-CD1 3.96Å; T111-I115 HydrophobicContact CG2-CG1 4.48Å; T111-I115 WeakPolarHBondContact O-CB 3.3Å; T111-I115 WeakPolarHBondContact O-CG1 3.43Å; T111-I115 PolarHBondContact O-N 3.28Å; R113-I115 VanDerWaalsContact C-N 3.29Å; R113-I115 PolarHBondContact O-N 3.47Å; I115-D117 PolarHBondContact O-N 2.98Å; I115-I118 PolarHBondContact O-N 3.22Å; I115-V119 HydrophobicContact CG2-CG2 4.39Å; I115-V119 WeakPolarHBondContact O-CB 3.18Å; I115-V119 VanDerWaalsContact O-CG2 3.25Å; I115-V119 WeakPolarHBondContact O-CG2 3.25Å; I115-V119 PolarHBondContact O-N 3.24Å; I115-M153 HydrophobicContact CD1-CE 3.94Å; I115-M153 HydrophobicContact CG1-CE 3.55Å; I115-M153 HydrophobicContact CG1-SD 4.06Å; I115-F201 HydrophobicContact CG1-CZ 4.28Å; I115-L205 HydrophobicContact CD1-CD2 3.68Å; I115-L205 HydrophobicContact CG1-CD2 3.83Å; I115-L205 HydrophobicContact CG2-CD1 3.73Å; I115-L205 HydrophobicContact CG2-CD2 4.49Å
116A94.1Very high86.4Confident57 Ų5753 Ų5347%0.47130%0.296SS..Hα-helixtrans-60.6-45.1179.500000111.8S112 R113 V119 S120S112-A116 PolarHBondContact O-N 2.92Å; R113-A116 PolarHBondContact O-N 3.14Å; R113-A116 VanDerWaalsContact O-N 3.14Å; A116-V119 PolarHBondContact O-N 3.32Å; A116-S120 WeakPolarHBondContact O-CB 3.37Å; A116-S120 PolarHBondContact O-N 3.05Å
117D95.2Very high88.1Confident66 Ų6653.1 Ų53.135%0.35330%0.297SS..Hα-helixtrans-65-45.6179-65.9-17.6000111.2R113 C114 I115 V119 S120 L121 T149R113-D117 WeakPolarHBondContact CG-OD2 3.46Å; R113-D117 WeakPolarHBondContact O-CB 3.37Å; R113-D117 VanDerWaalsContact O-CG 3.23Å; R113-D117 PolarHBondContact O-N 3.44Å; C114-D117 PolarHBondContact O-N 3.49Å; I115-D117 PolarHBondContact O-N 2.98Å; D117-V119 PolarHBondContact O-N 2.83Å; D117-S120 PolarHBondContact O-N 2.86Å; D117-L121 WeakPolarHBondContact O-CB 3.26Å; D117-L121 WeakPolarHBondContact O-CD1 3.47Å; D117-L121 VanDerWaalsContact O-CG 3.25Å; D117-L121 WeakPolarHBondContact O-CG 3.13Å; D117-L121 PolarHBondContact O-N 3.38Å; D117-T149 HydrophobicContact CB-CG2 3.91Å
118I96.6Very high89.9Confident0 Ų053.6 Ų53.60%030%0.298CS..Hα-helixtrans-60.3-48.2177.4-71.1162.5000110.6C114 I115 S120 L121 F122 L146 T149 M150 M153 F201C114-I118 HydrophobicContact CB-CD1 4.4Å; C114-I118 VanDerWaalsContact O-CB 3.25Å; C114-I118 WeakPolarHBondContact O-CB 3.33Å; C114-I118 VanDerWaalsContact O-CD1 3.3Å; C114-I118 WeakPolarHBondContact O-CD1 3.47Å; C114-I118 WeakPolarHBondContact O-CG1 3.42Å; C114-I118 PolarHBondContact O-N 2.95Å; I115-I118 PolarHBondContact O-N 3.22Å; I118-S120 VanDerWaalsContact C-N 3.34Å; I118-S120 PolarHBondContact O-N 3.1Å; I118-L121 PolarHBondContact O-N 3.39Å; I118-F122 HydrophobicContact CG2-CD2 3.58Å; I118-F122 HydrophobicContact CG2-CE2 3.47Å; I118-F122 VanDerWaalsContact CG2-CE2 3.47Å; I118-F122 VanDerWaalsContact O-CD2 3.22Å; I118-F122 WeakPolarHBondContact O-CD2 3.45Å; I118-F122 PolarHBondContact O-N 2.96Å; I118-L146 HydrophobicContact CB-CD1 4.39Å; I118-L146 HydrophobicContact CG2-CD1 3.94Å; I118-T149 HydrophobicContact CD1-CG2 4.27Å; I118-T149 HydrophobicContact CG1-CG2 3.72Å; I118-M150 HydrophobicContact CD1-CB 4.49Å; I118-M150 HydrophobicContact CD1-CG 3.88Å; I118-M150 HydrophobicContact CG1-CG 3.95Å; I118-M150 HydrophobicContact CG2-CG 4.23Å; I118-M153 HydrophobicContact CD1-CB 4.4Å; I118-M153 HydrophobicContact CD1-SD 3.73Å; I118-F201 HydrophobicContact CB-CE1 4.08Å; I118-F201 HydrophobicContact CB-CZ 3.98Å; I118-F201 HydrophobicContact CD1-CE2 3.99Å; I118-F201 HydrophobicContact CD1-CZ 3.81Å; I118-F201 HydrophobicContact CG2-CD1 3.85Å; I118-F201 HydrophobicContact CG2-CD2 4.26Å; I118-F201 HydrophobicContact CG2-CE1 3.51Å; I118-F201 HydrophobicContact CG2-CE2 3.98Å; I118-F201 HydrophobicContact CG2-CG 4.2Å; I118-F201 HydrophobicContact CG2-CZ 3.6Å
119V97Very high91.7Very high34 Ų3445.2 Ų45.221%0.20626%0.262CS..Hα-helixtrans-61.1-45177.6170.70000110.7I115 A116 D117 F122 I123 Y198 F201I115-V119 HydrophobicContact CG2-CG2 4.39Å; I115-V119 WeakPolarHBondContact O-CB 3.18Å; I115-V119 VanDerWaalsContact O-CG2 3.25Å; I115-V119 WeakPolarHBondContact O-CG2 3.25Å; I115-V119 PolarHBondContact O-N 3.24Å; A116-V119 PolarHBondContact O-N 3.32Å; D117-V119 PolarHBondContact O-N 2.83Å; V119-F122 PolarHBondContact O-N 3.46Å; V119-I123 HydrophobicContact CG1-CD1 3.9Å; V119-I123 VanDerWaalsContact O-CG1 3.32Å; V119-I123 WeakPolarHBondContact O-CG1 3.21Å; V119-I123 PolarHBondContact O-N 3.15Å; V119-I123 VanDerWaalsContact O-N 3.1Å; V119-Y198 HydrophobicContact CB-CE2 4.46Å; V119-Y198 HydrophobicContact CG1-CE2 4.15Å; V119-Y198 HydrophobicContact CG2-CE2 4.24Å; V119-F201 HydrophobicContact CG2-CD1 4.47Å; V119-F201 HydrophobicContact CG2-CE1 4.06Å
120S97.7Very high93.4Very high65 Ų6548.6 Ų48.646%0.45526%0.262SS..Hα-helixtrans-59.5-48.2177.6-171.30000111.5A116 D117 I118 I123 T124A116-S120 WeakPolarHBondContact O-CB 3.37Å; A116-S120 PolarHBondContact O-N 3.05Å; D117-S120 PolarHBondContact O-N 2.86Å; I118-S120 VanDerWaalsContact C-N 3.34Å; I118-S120 PolarHBondContact O-N 3.1Å; S120-I123 PolarHBondContact O-N 2.85Å; S120-T124 PolarHBondContact O-N 3.48Å; S120-T124 PolarHBondContact O-OG1 3.19Å
121L98.2Very high94.6Very high21 Ų2151.7 Ų51.711%0.1128%0.278CS..Hα-helixtrans-66-39.1-178.6-72.7162.6000112.3D117 I118 I123 T124 V125 D142 D145 L146D117-L121 WeakPolarHBondContact O-CB 3.26Å; D117-L121 WeakPolarHBondContact O-CD1 3.47Å; D117-L121 VanDerWaalsContact O-CG 3.25Å; D117-L121 WeakPolarHBondContact O-CG 3.13Å; D117-L121 PolarHBondContact O-N 3.38Å; I118-L121 PolarHBondContact O-N 3.39Å; L121-I123 VanDerWaalsContact C-N 3.34Å; L121-I123 PolarHBondContact O-N 3.3Å; L121-T124 PolarHBondContact O-N 2.8Å; L121-V125 WeakPolarHBondContact O-CG2 3.36Å; L121-V125 PolarHBondContact O-N 3.38Å; L121-D142 HydrophobicContact CD2-CB 4.26Å; L121-D145 HydrophobicContact CD1-CB 4.06Å; L121-D145 HydrophobicContact CD2-CB 4.11Å; L121-L146 HydrophobicContact CB-CB 4.04Å; L121-L146 HydrophobicContact CB-CD1 3.96Å; L121-L146 HydrophobicContact CB-CG 4.42Å; L121-L146 HydrophobicContact CD1-CB 4.29Å
122F98.2Very high95.4Very high0 Ų056.3 Ų56.30%030%0.297CS..Hα-helixtrans-56.5-49.1171.3-89.2-60.3000111.3I118 V119 M126 L146 M150 V166 V194 A197 Y198 F201I118-F122 HydrophobicContact CG2-CD2 3.58Å; I118-F122 HydrophobicContact CG2-CE2 3.47Å; I118-F122 VanDerWaalsContact CG2-CE2 3.47Å; I118-F122 VanDerWaalsContact O-CD2 3.22Å; I118-F122 WeakPolarHBondContact O-CD2 3.45Å; I118-F122 PolarHBondContact O-N 2.96Å; V119-F122 PolarHBondContact O-N 3.46Å; F122-M126 HydrophobicContact CB-CE 4.26Å; F122-M126 WeakPolarHBondContact O-CB 2.92Å; F122-M126 VanDerWaalsContact O-CE 3.29Å; F122-M126 WeakPolarHBondContact O-CE 3.48Å; F122-M126 VanDerWaalsContact O-CG 3.28Å; F122-M126 WeakPolarHBondContact O-CG 3.34Å; F122-M126 PolarHBondContact O-N 3.38Å; F122-L146 HydrophobicContact CD1-CD2 3.83Å; F122-L146 HydrophobicContact CD2-CD1 3.97Å; F122-L146 HydrophobicContact CE1-CD2 3.82Å; F122-L146 HydrophobicContact CE2-CD1 3.95Å; F122-L146 HydrophobicContact CG-CD1 4.31Å; F122-L146 HydrophobicContact CG-CD2 4.22Å; F122-L146 HydrophobicContact CZ-CD1 4.25Å; F122-L146 HydrophobicContact CZ-CD2 4.22Å; F122-M150 HydrophobicContact CE2-SD 4.45Å; F122-M150 HydrophobicContact CZ-SD 4.26Å; F122-V166 HydrophobicContact CE1-CG2 3.96Å; F122-V166 HydrophobicContact CZ-CG2 4.25Å; F122-V194 HydrophobicContact CD1-CG1 3.69Å; F122-V194 HydrophobicContact CE1-CG1 4.15Å; F122-A197 HydrophobicContact CE1-CB 3.77Å; F122-A197 HydrophobicContact CZ-CB 3.92Å; F122-Y198 HydrophobicContact CB-CD2 3.61Å; F122-Y198 HydrophobicContact CB-CE2 4.18Å; F122-Y198 HydrophobicContact CB-CG 4.11Å; F122-Y198 HydrophobicContact CD1-CD2 4.41Å; F122-Y198 HydrophobicContact CD1-CG 4.49Å; F122-Y198 AromaticContact CD2-CD2 3.6Å; F122-Y198 HydrophobicContact CD2-CD2 3.6Å; F122-Y198 HydrophobicContact CD2-CE2 4.45Å; F122-Y198 HydrophobicContact CD2-CG 4.4Å; F122-Y198 HydrophobicContact CE2-CD2 4.36Å; F122-Y198 AromaticContact CG-CD2 3.64Å; F122-Y198 HydrophobicContact CG-CD2 3.64Å; F122-Y198 HydrophobicContact CG-CG 4.12Å; F122-F201 HydrophobicContact CE2-CB 4.21Å; F122-F201 HydrophobicContact CE2-CG 4.35Å
123I97.6Very high96Very high68 Ų6855.1 Ų55.135%0.34928%0.284SS..Hα-helixtrans-62-47.5179-66.4167000110.2V119 S120 L121 V125 M126 D127V119-I123 HydrophobicContact CG1-CD1 3.9Å; V119-I123 VanDerWaalsContact O-CG1 3.32Å; V119-I123 WeakPolarHBondContact O-CG1 3.21Å; V119-I123 PolarHBondContact O-N 3.15Å; V119-I123 VanDerWaalsContact O-N 3.1Å; S120-I123 PolarHBondContact O-N 2.85Å; L121-I123 VanDerWaalsContact C-N 3.34Å; L121-I123 PolarHBondContact O-N 3.3Å; I123-V125 PolarHBondContact O-N 2.65Å; I123-M126 HydrophobicContact CG1-CE 4.43Å; I123-M126 PolarHBondContact O-N 3.12Å; I123-D127 WeakPolarHBondContact CG2-OD2 3.32Å; I123-D127 WeakPolarHBondContact O-CB 3.33Å; I123-D127 PolarHBondContact O-N 3.15Å
124T98.1Very high96.4Very high48 Ų4849.7 Ų49.729%0.29426%0.263SS..Hα-helixtrans-57.9-48.2179.5-60.30000112.4S120 L121 D127 K128S120-T124 PolarHBondContact O-N 3.48Å; S120-T124 PolarHBondContact O-OG1 3.19Å; L121-T124 PolarHBondContact O-N 2.8Å; T124-D127 PolarHBondContact O-N 3.49Å; T124-K128 HydrophobicContact CG2-CD 4.48Å; T124-K128 WeakPolarHBondContact O-CG 3.47Å; T124-K128 PolarHBondContact O-N 3.14Å
125V98Very high96.7Very high0 Ų050.4 Ų50.40%027%0.269CS..Hα-helixtrans-63.2-44.4178.8172.20000111L121 I123 K128 L129 D142 L143 M190 V194L121-V125 WeakPolarHBondContact O-CG2 3.36Å; L121-V125 PolarHBondContact O-N 3.38Å; I123-V125 PolarHBondContact O-N 2.65Å; V125-K128 PolarHBondContact O-N 3.37Å; V125-L129 HydrophobicContact CG1-CD1 4.2Å; V125-L129 WeakPolarHBondContact O-CG 3.42Å; V125-L129 PolarHBondContact O-N 3.09Å; V125-D142 HydrophobicContact CG2-CB 3.62Å; V125-L143 HydrophobicContact CG2-CG 4.45Å; V125-M190 HydrophobicContact CG1-CE 3.58Å; V125-V194 HydrophobicContact CG1-CG1 4.29Å; V125-V194 HydrophobicContact CG1-CG2 4.26Å
126M97.5Very high97Very high15 Ų1548.5 Ų48.57%0.07426%0.26CS..Hα-helixtrans-63.8-41.8177.7-71.4-175.2-68.500112.3F122 I123 L129 K130 V194 E195 Y198F122-M126 HydrophobicContact CB-CE 4.26Å; F122-M126 WeakPolarHBondContact O-CB 2.92Å; F122-M126 VanDerWaalsContact O-CE 3.29Å; F122-M126 WeakPolarHBondContact O-CE 3.48Å; F122-M126 VanDerWaalsContact O-CG 3.28Å; F122-M126 WeakPolarHBondContact O-CG 3.34Å; F122-M126 PolarHBondContact O-N 3.38Å; I123-M126 HydrophobicContact CG1-CE 4.43Å; I123-M126 PolarHBondContact O-N 3.12Å; M126-L129 PolarHBondContact O-N 3.34Å; M126-K130 WeakPolarHBondContact O-CB 3.44Å; M126-K130 VanDerWaalsContact O-CG 3.29Å; M126-K130 WeakPolarHBondContact O-CG 3.4Å; M126-K130 PolarHBondContact O-N 3.06Å; M126-V194 HydrophobicContact CG-CB 4.35Å; M126-V194 HydrophobicContact CG-CG1 3.61Å; M126-V194 HydrophobicContact SD-CG1 4.35Å; M126-E195 HydrophobicContact CG-CG 4.4Å; M126-E195 HydrophobicContact SD-CB 4.32Å; M126-E195 HydrophobicContact SD-CG 3.33Å; M126-E195 WeakPolarHBondContact SD-CG 3.44Å; M126-Y198 HydrophobicContact CE-CD1 3.97Å; M126-Y198 HydrophobicContact CE-CE1 4.4Å; M126-Y198 HydrophobicContact CE-CG 4.23Å
127D97.9Very high97.1Very high84 Ų8449.9 Ų49.945%0.44926%0.259SS..Hα-helixtrans-66.1-43.6179.4-77.1-11.7000111.3I123 T124 L129 K130 L131I123-D127 WeakPolarHBondContact CG2-OD2 3.32Å; I123-D127 WeakPolarHBondContact O-CB 3.33Å; I123-D127 PolarHBondContact O-N 3.15Å; T124-D127 PolarHBondContact O-N 3.49Å; D127-L129 PolarHBondContact O-N 2.56Å; D127-K130 PolarHBondContact O-N 2.77Å; D127-L131 WeakPolarHBondContact O-CB 3.17Å; D127-L131 VanDerWaalsContact O-CG 3.3Å; D127-L131 WeakPolarHBondContact O-CG 3.32Å; D127-L131 PolarHBondContact O-N 3.26Å
128K97.9Very high97.2Very high41 Ų4151.1 Ų51.118%0.17826%0.263CS..Hα-helixtrans-55.3-50174.6-79.8-176.1169.4-176.90111.6T124 V125 K130 L131 E132 I133 E138 L139 D142T124-K128 HydrophobicContact CG2-CD 4.48Å; T124-K128 WeakPolarHBondContact O-CG 3.47Å; T124-K128 PolarHBondContact O-N 3.14Å; V125-K128 PolarHBondContact O-N 3.37Å; K128-K130 VanDerWaalsContact C-N 3.35Å; K128-K130 PolarHBondContact O-N 3.03Å; K128-L131 CarbonylContact O-C 3.59Å; K128-L131 PolarHBondContact O-N 2.68Å; K128-E132 PolarHBondContact O-N 3.19Å; K128-I133 HydrophobicContact CB-CB 4.16Å; K128-I133 HydrophobicContact CB-CG2 4.49Å; K128-I133 HydrophobicContact CG-CD1 4.23Å; K128-I133 WeakPolarHBondContact O-CB 2.96Å; K128-I133 PolarHBondContact O-N 3.09Å; K128-E138 PolarHBondContact NZ-O 3.09Å; K128-E138 IonicContact NZ-OE2 3.74Å; K128-L139 HydrophobicContact CB-CD2 3.84Å; K128-L139 HydrophobicContact CD-CD2 4.3Å; K128-D142 WeakPolarHBondContact CD-OD2 3.29Å; K128-D142 VanDerWaalsContact CE-OD2 3.24Å; K128-D142 WeakPolarHBondContact CE-OD2 3.29Å; K128-D142 IonicContact NZ-OD2 3.43Å; K128-D142 PolarHBondContact NZ-OD2 3.34Å
129L97.1Very high97.3Very high8 Ų851.1 Ų51.14%0.04226%0.263CS..Hα-helixtrans-63.2-39.2179.1-68.5168.4000112.6V125 M126 D127 L131 E132 L139 L182 A187 M190 V191V125-L129 HydrophobicContact CG1-CD1 4.2Å; V125-L129 WeakPolarHBondContact O-CG 3.42Å; V125-L129 PolarHBondContact O-N 3.09Å; M126-L129 PolarHBondContact O-N 3.34Å; D127-L129 PolarHBondContact O-N 2.56Å; L129-L131 VanDerWaalsContact C-N 3.3Å; L129-L131 PolarHBondContact O-N 2.92Å; L129-E132 PolarHBondContact O-N 3.28Å; L129-E132 VanDerWaalsContact O-N 3.14Å; L129-L139 HydrophobicContact CD2-CD1 3.73Å; L129-L139 HydrophobicContact CD2-CD2 4.02Å; L129-L139 HydrophobicContact CG-CD2 4.15Å; L129-L182 HydrophobicContact CD2-CD1 4.39Å; L129-A187 HydrophobicContact CD2-CB 4.38Å; L129-M190 HydrophobicContact CD1-CB 4.09Å; L129-M190 HydrophobicContact CD1-CE 3.94Å; L129-M190 HydrophobicContact CD1-CG 3.7Å; L129-M190 HydrophobicContact CD1-SD 3.8Å; L129-M190 HydrophobicContact CD2-SD 3.99Å; L129-M190 HydrophobicContact CG-SD 4.46Å; L129-V191 HydrophobicContact CB-CG2 3.46Å; L129-V191 VanDerWaalsContact CB-CG2 3.46Å; L129-V191 HydrophobicContact CD1-CG2 3.68Å; L129-V191 HydrophobicContact CG-CG2 4.19Å
130K94.6Very high97.3Very high120 Ų12051.8 Ų51.852%0.52226%0.264SS..Hα-helixtrans-68.1-28.4176.9-75.6171.4-178.3169.90112.8M126 D127 K128 E132 E195M126-K130 WeakPolarHBondContact O-CB 3.44Å; M126-K130 VanDerWaalsContact O-CG 3.29Å; M126-K130 WeakPolarHBondContact O-CG 3.4Å; M126-K130 PolarHBondContact O-N 3.06Å; D127-K130 PolarHBondContact O-N 2.77Å; K128-K130 VanDerWaalsContact C-N 3.35Å; K128-K130 PolarHBondContact O-N 3.03Å; K130-E132 PolarHBondContact O-N 3.07Å; K130-E195 IonicContact NZ-OE1 2.77Å; K130-E195 PolarHBondContact NZ-OE1 3.1Å
131L97Very high97.3Very high127 Ų12751.8 Ų51.867%0.66526%0.262SS*.THydrogen-bonded Turntrans-83.99.4172.7-67.9172.3000113.3D127 K128 L129 I133D127-L131 WeakPolarHBondContact O-CB 3.17Å; D127-L131 VanDerWaalsContact O-CG 3.3Å; D127-L131 WeakPolarHBondContact O-CG 3.32Å; D127-L131 PolarHBondContact O-N 3.26Å; K128-L131 CarbonylContact O-C 3.59Å; K128-L131 PolarHBondContact O-N 2.68Å; L129-L131 VanDerWaalsContact C-N 3.3Å; L129-L131 PolarHBondContact O-N 2.92Å; L131-I133 HydrophobicContact CB-CD1 4.36Å; L131-I133 HydrophobicContact CB-CG1 4.35Å; L131-I133 PolarHBondContact O-N 2.92Å
132E96.1Very high97.3Very high137 Ų13752.1 Ų52.164%0.6426%0.264SS*.THydrogen-bonded Turntrans61.323-176.8-49.9-159.1122.400114.7K128 L129 K130 R134K128-E132 PolarHBondContact O-N 3.19Å; L129-E132 PolarHBondContact O-N 3.28Å; L129-E132 VanDerWaalsContact O-N 3.14Å; K130-E132 PolarHBondContact O-N 3.07Å; E132-R134 PolarHBondContact O-N 3.31Å; E132-R134 IonicContact OE1-CZ 2.7Å; E132-R134 IonicContact OE1-NH2 3.55Å; E132-R134 PolarHBondContact OE1-NH2 2.97Å
133I96.9Very high97.3Very high56 Ų5652.1 Ų52.129%0.28726%0.264SS..  trans-78.6104.6168.6-58.6170.6000107.4K128 L131 E138K128-I133 HydrophobicContact CB-CB 4.16Å; K128-I133 HydrophobicContact CB-CG2 4.49Å; K128-I133 HydrophobicContact CG-CD1 4.23Å; K128-I133 WeakPolarHBondContact O-CB 2.96Å; K128-I133 PolarHBondContact O-N 3.09Å; L131-I133 HydrophobicContact CB-CD1 4.36Å; L131-I133 HydrophobicContact CB-CG1 4.35Å; L131-I133 PolarHBondContact O-N 2.92Å; I133-E138 HydrophobicContact CG2-CB 3.5Å; I133-E138 HydrophobicContact CG2-CG 3.94Å
134R96.5Very high97.3Very high48 Ų4852.4 Ų52.418%0.18126%0.261CS..  trans-119.9-3.9-171.7-64-178.6-171.4148.310.2114.5E132 E181 L182 A187E132-R134 PolarHBondContact O-N 3.31Å; E132-R134 IonicContact OE1-CZ 2.7Å; E132-R134 IonicContact OE1-NH2 3.55Å; E132-R134 PolarHBondContact OE1-NH2 2.97Å; R134-E181 HydrophobicContact CB-CB 4.15Å; R134-E181 VanDerWaalsContact O-CA 3.31Å; R134-E181 WeakPolarHBondContact O-CA 3.31Å; R134-L182 HydrophobicContact CB-CB 4.35Å; R134-L182 VanDerWaalsContact CD-O 3.3Å; R134-L182 WeakPolarHBondContact CD-O 3.31Å; R134-L182 PolarHBondContact O-N 3.13Å; R134-A187 HydrophobicContact CG-CB 4.18Å
135A97.3Very high97.3Very high16 Ų1654.2 Ų54.213%0.13227%0.268CS..BIsolated β-bridgetrans-65.9139.4179.100000111.4D137 E138 L139 E181A135-D137 VanDerWaalsContact C-N 3.34Å; A135-D137 VanDerWaalsContact CB-OD1 3.25Å; A135-D137 WeakPolarHBondContact CB-OD1 3.38Å; A135-D137 PolarHBondContact O-N 3.37Å; A135-E138 HydrophobicContact CB-CB 4.36Å; A135-E138 HydrophobicContact CB-CG 4.26Å; A135-E138 PolarHBondContact O-N 3.5Å; A135-L139 PolarHBondContact O-N 2.96Å; A135-L139 VanDerWaalsContact O-N 3.09Å; A135-E181 HydrophobicContact CB-CG 4.23Å
136V97.3Very high97.3Very high7 Ų754.2 Ų54.24%0.04227%0.268CS..Hα-helixtrans-60-44.2-177.8168.50000111E138 L139 H140 L173 M176 E180V136-E138 PolarHBondContact O-N 3.44Å; V136-L139 PolarHBondContact O-N 2.81Å; V136-H140 HydrophobicContact CG1-CB 4.34Å; V136-H140 WeakPolarHBondContact O-CB 3.28Å; V136-H140 PolarHBondContact O-N 3.22Å; V136-L173 HydrophobicContact CG1-CB 4.28Å; V136-L173 HydrophobicContact CG2-CD2 3.97Å; V136-M176 HydrophobicContact CG2-CB 3.7Å; V136-M176 HydrophobicContact CG2-CE 3.94Å; V136-M176 HydrophobicContact CG2-SD 4.15Å; V136-E180 HydrophobicContact CG2-CB 4.49Å; V136-E180 WeakPolarHBondContact CG2-O 3.5Å; V136-E180 PolarHBondContact N-O 3.21Å
137D97.4Very high97.2Very high87 Ų8753.7 Ų53.747%0.46527%0.266SS..Hα-helixtrans-64.2-27.2179.261.3-15.8000114.1A135 P141 A178A135-D137 VanDerWaalsContact C-N 3.34Å; A135-D137 VanDerWaalsContact CB-OD1 3.25Å; A135-D137 WeakPolarHBondContact CB-OD1 3.38Å; A135-D137 PolarHBondContact O-N 3.37Å; D137-P141 WeakPolarHBondContact O-CD 3.23Å; D137-P141 WeakPolarHBondContact O-CG 3.45Å; D137-A178 HydrophobicContact CB-CB 4.19Å; D137-A178 PolarHBondContact N-O 3.37Å
138E97.2Very high97.1Very high92 Ų9252.7 Ų52.743%0.4326%0.261SS..Hα-helixtrans-82-32.5175.2-71-67.4156.100113K128 I133 A135 V136K128-E138 PolarHBondContact NZ-O 3.09Å; K128-E138 IonicContact NZ-OE2 3.74Å; I133-E138 HydrophobicContact CG2-CB 3.5Å; I133-E138 HydrophobicContact CG2-CG 3.94Å; A135-E138 HydrophobicContact CB-CB 4.36Å; A135-E138 HydrophobicContact CB-CG 4.26Å; A135-E138 PolarHBondContact O-N 3.5Å; V136-E138 PolarHBondContact O-N 3.44Å
139L97.9Very high96.9Very high0 Ų051 Ų510%025%0.254CS..Hα-helixtrans-93.2-36-176.6-68.7174.6000113.6K128 L129 A135 V136 D142 L143 L173 L182K128-L139 HydrophobicContact CB-CD2 3.84Å; K128-L139 HydrophobicContact CD-CD2 4.3Å; L129-L139 HydrophobicContact CD2-CD1 3.73Å; L129-L139 HydrophobicContact CD2-CD2 4.02Å; L129-L139 HydrophobicContact CG-CD2 4.15Å; A135-L139 PolarHBondContact O-N 2.96Å; A135-L139 VanDerWaalsContact O-N 3.09Å; V136-L139 PolarHBondContact O-N 2.81Å; L139-D142 PolarHBondContact O-N 2.7Å; L139-L143 PolarHBondContact O-N 3.07Å; L139-L173 HydrophobicContact CB-CD1 3.92Å; L139-L182 HydrophobicContact CD1-CD1 3.79Å; L139-L182 HydrophobicContact CD1-CG 4.44Å
140H97.9Very high96.7Very high48 Ų4850.7 Ų50.722%0.22225%0.252CS..Hα-helixtrans-60.2-45.4-171.7179.9-79000113.9V136 D142 L143 R144 L173 D174V136-H140 HydrophobicContact CG1-CB 4.34Å; V136-H140 WeakPolarHBondContact O-CB 3.28Å; V136-H140 PolarHBondContact O-N 3.22Å; H140-D142 PolarHBondContact O-N 3.37Å; H140-L143 PolarHBondContact O-N 3.01Å; H140-R144 WeakPolarHBondContact O-CB 3.44Å; H140-R144 PolarHBondContact O-N 2.93Å; H140-L173 HydrophobicContact CB-CD1 4.12Å; H140-D174 IonicContact CD2-OD1 3.97Å; H140-D174 IonicContact CE1-OD1 2.96Å; H140-D174 IonicContact NE2-OD1 2.84Å; H140-D174 PolarHBondContact NE2-OD1 3.11Å
141P97.9Very high96.5Very high64 Ų6447.1 Ų47.142%0.41625%0.249SC..Hα-helixtrans-58.7-44.4-178.7-25.435.6000113D137 R144 D145D137-P141 WeakPolarHBondContact O-CD 3.23Å; D137-P141 WeakPolarHBondContact O-CG 3.45Å; P141-R144 PolarHBondContact O-N 2.9Å; P141-D145 WeakPolarHBondContact O-CB 3.38Å; P141-D145 PolarHBondContact O-N 3.28Å
142D98.1Very high96Very high28 Ų2847.7 Ų47.715%0.1524%0.243CC..Hα-helixtrans-69.2-39.2-179.2-62.1-46.1000111.7L121 V125 K128 L139 H140 L146L121-D142 HydrophobicContact CD2-CB 4.26Å; V125-D142 HydrophobicContact CG2-CB 3.62Å; K128-D142 WeakPolarHBondContact CD-OD2 3.29Å; K128-D142 VanDerWaalsContact CE-OD2 3.24Å; K128-D142 WeakPolarHBondContact CE-OD2 3.29Å; K128-D142 IonicContact NZ-OD2 3.43Å; K128-D142 PolarHBondContact NZ-OD2 3.34Å; L139-D142 PolarHBondContact O-N 2.7Å; H140-D142 PolarHBondContact O-N 3.37Å; D142-L146 VanDerWaalsContact O-CB 3.23Å; D142-L146 WeakPolarHBondContact O-CB 3.2Å; D142-L146 PolarHBondContact O-N 3.38Å
143L97.6Very high95.6Very high0 Ų041.5 Ų41.50%021%0.214CC..Hα-helixtrans-63.6-44174.8-91.7169.4000112.1V125 L139 H140 L146 V147 V166 W169 L170 L173 M190V125-L143 HydrophobicContact CG2-CG 4.45Å; L139-L143 PolarHBondContact O-N 3.07Å; H140-L143 PolarHBondContact O-N 3.01Å; L143-L146 WeakPolarHBondContact O-CB 3.32Å; L143-L146 PolarHBondContact O-N 3.08Å; L143-V147 WeakPolarHBondContact O-CG2 2.85Å; L143-V147 PolarHBondContact O-N 2.76Å; L143-V166 HydrophobicContact CD2-CG1 3.52Å; L143-W169 HydrophobicContact CD1-CB 4.38Å; L143-W169 HydrophobicContact CD2-CB 4.43Å; L143-L170 HydrophobicContact CB-CD1 4.15Å; L143-L173 HydrophobicContact CD1-CD1 3.33Å; L143-L173 HydrophobicContact CD1-CG 4.24Å; L143-M190 HydrophobicContact CD1-CE 3.34Å; L143-M190 HydrophobicContact CD2-CE 3.93Å; L143-M190 HydrophobicContact CG-CE 3.83Å
144R98Very high94.8Very high75 Ų7541.8 Ų41.828%0.28322%0.221SC..Hα-helixtrans-60.4-49177179.874.1-87171.6-0.5110.6H140 P141 L146 V147 D148 L170H140-R144 WeakPolarHBondContact O-CB 3.44Å; H140-R144 PolarHBondContact O-N 2.93Å; P141-R144 PolarHBondContact O-N 2.9Å; R144-L146 VanDerWaalsContact C-N 3.29Å; R144-L146 PolarHBondContact O-N 3.1Å; R144-V147 VanDerWaalsContact NH2-CG1 3.31Å; R144-V147 PolarHBondContact O-N 3.03Å; R144-D148 IonicContact CZ-OD1 3.71Å; R144-D148 VanDerWaalsContact CZ-OD1 3.29Å; R144-D148 IonicContact NE-OD1 3.31Å; R144-D148 PolarHBondContact NE-OD1 3.47Å; R144-D148 VanDerWaalsContact NE-OD1 3.14Å; R144-D148 IonicContact NE-OD2 3.13Å; R144-D148 IonicContact NH2-OD1 3.56Å; R144-D148 PolarHBondContact NH2-OD1 3.19Å; R144-D148 WeakPolarHBondContact O-CB 3.36Å; R144-D148 VanDerWaalsContact O-CG 3.27Å; R144-D148 PolarHBondContact O-N 3.28Å; R144-L170 HydrophobicContact CB-CD1 4.14Å; R144-L170 HydrophobicContact CB-CD2 4.4Å
145D97.6Very high94Very high85 Ų8542 Ų4246%0.45523%0.23SC..Hα-helixtrans-62.9-36.4177.6-84.4-5.7000111.8L121 P141 D148 T149L121-D145 HydrophobicContact CD1-CB 4.06Å; L121-D145 HydrophobicContact CD2-CB 4.11Å; P141-D145 WeakPolarHBondContact O-CB 3.38Å; P141-D145 PolarHBondContact O-N 3.28Å; D145-D148 PolarHBondContact O-N 3.36Å; D145-T149 WeakPolarHBondContact O-CB 3.47Å; D145-T149 PolarHBondContact O-N 2.92Å; D145-T149 PolarHBondContact O-OG1 3.5Å
146L97.8Very high93.5Very high0 Ų042 Ų420%023%0.227CC..Hα-helixtrans-63.8-49.4176.4178.455.4000111.1I118 L121 F122 D142 L143 R144 D148 T149 M150 V166I118-L146 HydrophobicContact CB-CD1 4.39Å; I118-L146 HydrophobicContact CG2-CD1 3.94Å; L121-L146 HydrophobicContact CB-CB 4.04Å; L121-L146 HydrophobicContact CB-CD1 3.96Å; L121-L146 HydrophobicContact CB-CG 4.42Å; L121-L146 HydrophobicContact CD1-CB 4.29Å; F122-L146 HydrophobicContact CD1-CD2 3.83Å; F122-L146 HydrophobicContact CD2-CD1 3.97Å; F122-L146 HydrophobicContact CE1-CD2 3.82Å; F122-L146 HydrophobicContact CE2-CD1 3.95Å; F122-L146 HydrophobicContact CG-CD1 4.31Å; F122-L146 HydrophobicContact CG-CD2 4.22Å; F122-L146 HydrophobicContact CZ-CD1 4.25Å; F122-L146 HydrophobicContact CZ-CD2 4.22Å; D142-L146 VanDerWaalsContact O-CB 3.23Å; D142-L146 WeakPolarHBondContact O-CB 3.2Å; D142-L146 PolarHBondContact O-N 3.38Å; L143-L146 WeakPolarHBondContact O-CB 3.32Å; L143-L146 PolarHBondContact O-N 3.08Å; R144-L146 VanDerWaalsContact C-N 3.29Å; R144-L146 PolarHBondContact O-N 3.1Å; L146-D148 PolarHBondContact O-N 3.02Å; L146-T149 PolarHBondContact O-N 2.93Å; L146-M150 HydrophobicContact CD1-CE 4.3Å; L146-M150 HydrophobicContact CD1-CG 4.32Å; L146-M150 HydrophobicContact CD1-SD 4.39Å; L146-M150 HydrophobicContact CG-CE 3.95Å; L146-M150 WeakPolarHBondContact O-CB 3.48Å; L146-M150 WeakPolarHBondContact O-CG 3.49Å; L146-M150 PolarHBondContact O-N 3.29Å; L146-V166 HydrophobicContact CB-CG1 4.47Å; L146-V166 HydrophobicContact CD2-CG1 3.79Å; L146-V166 HydrophobicContact CD2-CG2 4.09Å; L146-V166 HydrophobicContact CG-CG1 4.03Å
147V96.6Very high93Very high5 Ų544.1 Ų44.13%0.0324%0.241CC..Hα-helixtrans-59.4-46.7176.5170.90000111.4L143 R144 M150 G151 V166 L170L143-V147 WeakPolarHBondContact O-CG2 2.85Å; L143-V147 PolarHBondContact O-N 2.76Å; R144-V147 VanDerWaalsContact NH2-CG1 3.31Å; R144-V147 PolarHBondContact O-N 3.03Å; V147-M150 HydrophobicContact CG2-CE 4.45Å; V147-M150 PolarHBondContact O-N 3.37Å; V147-G151 PolarHBondContact O-N 2.93Å; V147-V166 HydrophobicContact CG2-CB 4.24Å; V147-V166 HydrophobicContact CG2-CG1 3.54Å; V147-L170 HydrophobicContact CB-CD2 4.14Å; V147-L170 HydrophobicContact CG1-CD2 4.49Å; V147-L170 HydrophobicContact CG2-CD2 3.86Å
148D94.6Very high92.3Very high63 Ų6345.6 Ų45.634%0.33726%0.258SS..Hα-helixtrans-67.3-40.9-176.7-71.4-0.6000110.9R144 D145 L146 G151 R152R144-D148 IonicContact CZ-OD1 3.71Å; R144-D148 VanDerWaalsContact CZ-OD1 3.29Å; R144-D148 IonicContact NE-OD1 3.31Å; R144-D148 PolarHBondContact NE-OD1 3.47Å; R144-D148 VanDerWaalsContact NE-OD1 3.14Å; R144-D148 IonicContact NE-OD2 3.13Å; R144-D148 IonicContact NH2-OD1 3.56Å; R144-D148 PolarHBondContact NH2-OD1 3.19Å; R144-D148 WeakPolarHBondContact O-CB 3.36Å; R144-D148 VanDerWaalsContact O-CG 3.27Å; R144-D148 PolarHBondContact O-N 3.28Å; D145-D148 PolarHBondContact O-N 3.36Å; L146-D148 PolarHBondContact O-N 3.02Å; D148-G151 CarbonylContact O-C 3.56Å; D148-G151 WeakPolarHBondContact O-CA 3.48Å; D148-G151 PolarHBondContact O-N 3.32Å; D148-G151 VanDerWaalsContact O-N 3.13Å; D148-R152 WeakPolarHBondContact O-CG 3.35Å; D148-R152 PolarHBondContact O-N 3.48Å
149T93.5Very high91.7Very high4 Ų447.8 Ų47.83%0.02527%0.273CS..Hα-helixtrans-66.6-42.7177.2-54.20000111.6C114 D117 I118 D145 L146 G151 R152 M153C114-T149 HydrophobicContact CB-CG2 4.18Å; D117-T149 HydrophobicContact CB-CG2 3.91Å; I118-T149 HydrophobicContact CD1-CG2 4.27Å; I118-T149 HydrophobicContact CG1-CG2 3.72Å; D145-T149 WeakPolarHBondContact O-CB 3.47Å; D145-T149 PolarHBondContact O-N 2.92Å; D145-T149 PolarHBondContact O-OG1 3.5Å; L146-T149 PolarHBondContact O-N 2.93Å; T149-G151 PolarHBondContact O-N 3.26Å; T149-R152 PolarHBondContact O-N 3.37Å; T149-R152 VanDerWaalsContact O-N 3.15Å; T149-R152 PolarHBondContact OG1-NH2 3.45Å; T149-M153 PolarHBondContact O-N 3.43Å
150M93.4Very high91.5Very high3 Ų348.7 Ų48.72%0.01528%0.277CS..Hα-helixtrans-59.8-35.8170.4-74.1-172.3-63.200112I118 F122 L146 V147 R152 M153 L156 F160 K163 V166I118-M150 HydrophobicContact CD1-CB 4.49Å; I118-M150 HydrophobicContact CD1-CG 3.88Å; I118-M150 HydrophobicContact CG1-CG 3.95Å; I118-M150 HydrophobicContact CG2-CG 4.23Å; F122-M150 HydrophobicContact CE2-SD 4.45Å; F122-M150 HydrophobicContact CZ-SD 4.26Å; L146-M150 HydrophobicContact CD1-CE 4.3Å; L146-M150 HydrophobicContact CD1-CG 4.32Å; L146-M150 HydrophobicContact CD1-SD 4.39Å; L146-M150 HydrophobicContact CG-CE 3.95Å; L146-M150 WeakPolarHBondContact O-CB 3.48Å; L146-M150 WeakPolarHBondContact O-CG 3.49Å; L146-M150 PolarHBondContact O-N 3.29Å; V147-M150 HydrophobicContact CG2-CE 4.45Å; V147-M150 PolarHBondContact O-N 3.37Å; M150-R152 VanDerWaalsContact C-N 3.34Å; M150-R152 PolarHBondContact O-N 2.94Å; M150-M153 PolarHBondContact O-N 3.41Å; M150-L156 HydrophobicContact CB-CD2 3.9Å; M150-L156 HydrophobicContact CG-CD2 4.13Å; M150-F160 HydrophobicContact SD-CE1 4.33Å; M150-K163 HydrophobicContact CE-CB 4.23Å; M150-K163 HydrophobicContact CE-CG 4.22Å; M150-K163 HydrophobicContact SD-CB 4.29Å; M150-V166 HydrophobicContact CE-CB 3.87Å; M150-V166 HydrophobicContact CE-CG1 4.03Å; M150-V166 HydrophobicContact CE-CG2 4.03Å
151G89.9Confident91.2Very high45 Ų4551.4 Ų51.446%0.46429%0.29SS..Hα-helixtrans-67.6-28175.400000114.7V147 D148 T149V147-G151 PolarHBondContact O-N 2.93Å; D148-G151 CarbonylContact O-C 3.56Å; D148-G151 WeakPolarHBondContact O-CA 3.48Å; D148-G151 PolarHBondContact O-N 3.32Å; D148-G151 VanDerWaalsContact O-N 3.13Å; T149-G151 PolarHBondContact O-N 3.26Å
152R86.9Confident91Very high139 Ų13948.4 Ų48.453%0.52527%0.27SS..Hα-helixtrans-82-20.3177.4-69.5-172.7-57.3-122.53.1113.8D148 T149 M150 S154D148-R152 WeakPolarHBondContact O-CG 3.35Å; D148-R152 PolarHBondContact O-N 3.48Å; T149-R152 PolarHBondContact O-N 3.37Å; T149-R152 VanDerWaalsContact O-N 3.15Å; T149-R152 PolarHBondContact OG1-NH2 3.45Å; M150-R152 VanDerWaalsContact C-N 3.34Å; M150-R152 PolarHBondContact O-N 2.94Å; R152-S154 PolarHBondContact O-N 2.96Å
153M87.1Confident90.9Very high6 Ų650 Ų503%0.0328%0.276CS..  trans-78102.5-176.9-175.3171.8170.500110.7T111 C114 I115 I118 T149 M150 S155 L156 F201 F204 L205T111-M153 HydrophobicContact CG2-CE 3.88Å; C114-M153 HydrophobicContact CB-CB 4.12Å; C114-M153 HydrophobicContact CB-CG 4.33Å; C114-M153 HydrophobicContact CB-SD 4.4Å; I115-M153 HydrophobicContact CD1-CE 3.94Å; I115-M153 HydrophobicContact CG1-CE 3.55Å; I115-M153 HydrophobicContact CG1-SD 4.06Å; I118-M153 HydrophobicContact CD1-CB 4.4Å; I118-M153 HydrophobicContact CD1-SD 3.73Å; T149-M153 PolarHBondContact O-N 3.43Å; M150-M153 PolarHBondContact O-N 3.41Å; M153-S155 WeakPolarHBondContact CE-OG 3.15Å; M153-S155 WeakPolarHBondContact CG-OG 3.41Å; M153-S155 PolarHBondContact O-N 3.44Å; M153-L156 HydrophobicContact CB-CB 4.26Å; M153-L156 HydrophobicContact CG-CB 4.18Å; M153-L156 WeakPolarHBondContact O-CB 3.41Å; M153-L156 PolarHBondContact O-N 2.94Å; M153-L156 VanDerWaalsContact O-N 3.1Å; M153-L156 HydrophobicContact SD-CB 4.45Å; M153-F201 HydrophobicContact CE-CE2 4.32Å; M153-F201 HydrophobicContact CE-CZ 4.35Å; M153-F201 HydrophobicContact SD-CE2 3.93Å; M153-F201 HydrophobicContact SD-CZ 4.01Å; M153-F204 HydrophobicContact CE-CE1 3.98Å; M153-L205 HydrophobicContact CE-CD2 4.1Å
154S80.4Confident90.7Very high62 Ų6253.1 Ų53.143%0.43430%0.302SS..THydrogen-bonded Turntrans-70.1-20.7-170.582.60000114.4D107 R152 L156D107-S154 WeakPolarHBondContact OD1-CB 3.47Å; D107-S154 PolarHBondContact OD1-OG 2.86Å; D107-S154 PolarHBondContact OD2-OG 3.29Å; R152-S154 PolarHBondContact O-N 2.96Å; S154-L156 VanDerWaalsContact C-N 3.34Å
155S80.8Confident90.6Very high53 Ų5352.7 Ų52.737%0.37130%0.302SS..THydrogen-bonded Turntrans-75.4-21.9174.645.80000113.1T111 M153 F204T111-S155 WeakPolarHBondContact CG2-OG 3.33Å; M153-S155 WeakPolarHBondContact CE-OG 3.15Å; M153-S155 WeakPolarHBondContact CG-OG 3.41Å; M153-S155 PolarHBondContact O-N 3.44Å; S155-F204 WeakPolarHBondContact O-CZ 3.34Å
156L86.4Confident90.6Very high15 Ų1548.6 Ų48.68%0.07928%0.28CS..SBendtrans-76.5128.2-179.4-164.268.8000109.8M150 M153 S154 F160 F201 F204M150-L156 HydrophobicContact CB-CD2 3.9Å; M150-L156 HydrophobicContact CG-CD2 4.13Å; M153-L156 HydrophobicContact CB-CB 4.26Å; M153-L156 HydrophobicContact CG-CB 4.18Å; M153-L156 WeakPolarHBondContact O-CB 3.41Å; M153-L156 PolarHBondContact O-N 2.94Å; M153-L156 VanDerWaalsContact O-N 3.1Å; M153-L156 HydrophobicContact SD-CB 4.45Å; S154-L156 VanDerWaalsContact C-N 3.34Å; L156-F160 HydrophobicContact CD1-CB 4.29Å; L156-F160 HydrophobicContact CD1-CD1 3.88Å; L156-F160 HydrophobicContact CD1-CD2 4.08Å; L156-F160 HydrophobicContact CD1-CE1 4.23Å; L156-F160 HydrophobicContact CD1-CE2 4.42Å; L156-F160 HydrophobicContact CD1-CG 3.81Å; L156-F160 HydrophobicContact CD1-CZ 4.5Å; L156-F160 HydrophobicContact CD2-CB 4.39Å; L156-F160 HydrophobicContact CD2-CD1 3.69Å; L156-F160 HydrophobicContact CD2-CE1 4.3Å; L156-F160 HydrophobicContact CD2-CG 4.2Å; L156-F160 HydrophobicContact CG-CB 3.99Å; L156-F160 HydrophobicContact CG-CD1 3.97Å; L156-F160 HydrophobicContact CG-CG 3.97Å; L156-F201 HydrophobicContact CD1-CD2 3.94Å; L156-F201 HydrophobicContact CD1-CE2 3.97Å; L156-F204 HydrophobicContact CD1-CD1 3.78Å; L156-F204 HydrophobicContact CD1-CE1 3.89Å; L156-F204 HydrophobicContact CD1-CG 4.19Å; L156-F204 HydrophobicContact CD1-CZ 4.39Å
157P85.7Confident90.6Very high52 Ų5251.2 Ų51.234%0.33829%0.292SS..  trans-56.9142.4178.2-25.133.9000112.2D159 F160 F204P157-D159 VanDerWaalsContact CB-OD1 3.24Å; P157-D159 WeakPolarHBondContact CB-OD1 3.43Å; P157-D159 PolarHBondContact O-N 2.72Å; P157-F160 HydrophobicContact CB-CB 4.48Å; P157-F160 WeakPolarHBondContact O-CB 3.1Å; P157-F160 PolarHBondContact O-N 3.49Å; P157-F160 VanDerWaalsContact O-N 3.08Å; P157-F204 HydrophobicContact CG-CD2 4.47Å; P157-F204 HydrophobicContact CG-CE2 4.15Å
158S82.5Confident90.6Very high118 Ų11855.8 Ų55.883%0.82531%0.314SS*.THydrogen-bonded Turntrans-62.9-26.4179.349.70000113.3
159D86.1Confident90.8Very high139 Ų13953.6 Ų53.674%0.74330%0.3SS*.THydrogen-bonded Turntrans-98.717.2178.362.9-25.3000112.9P157 E161P157-D159 VanDerWaalsContact CB-OD1 3.24Å; P157-D159 WeakPolarHBondContact CB-OD1 3.43Å; P157-D159 PolarHBondContact O-N 2.72Å; D159-E161 PolarHBondContact O-N 2.86Å; D159-E161 VanDerWaalsContact O-N 3.12Å
160F92.6Very high91Very high19 Ų1953.4 Ų53.48%0.08330%0.299CS..  trans-56.9117.7178.9175.8-115.9000111.8M150 L156 P157 G162 K163 A164 A200 F201M150-F160 HydrophobicContact SD-CE1 4.33Å; L156-F160 HydrophobicContact CD1-CB 4.29Å; L156-F160 HydrophobicContact CD1-CD1 3.88Å; L156-F160 HydrophobicContact CD1-CD2 4.08Å; L156-F160 HydrophobicContact CD1-CE1 4.23Å; L156-F160 HydrophobicContact CD1-CE2 4.42Å; L156-F160 HydrophobicContact CD1-CG 3.81Å; L156-F160 HydrophobicContact CD1-CZ 4.5Å; L156-F160 HydrophobicContact CD2-CB 4.39Å; L156-F160 HydrophobicContact CD2-CD1 3.69Å; L156-F160 HydrophobicContact CD2-CE1 4.3Å; L156-F160 HydrophobicContact CD2-CG 4.2Å; L156-F160 HydrophobicContact CG-CB 3.99Å; L156-F160 HydrophobicContact CG-CD1 3.97Å; L156-F160 HydrophobicContact CG-CG 3.97Å; P157-F160 HydrophobicContact CB-CB 4.48Å; P157-F160 WeakPolarHBondContact O-CB 3.1Å; P157-F160 PolarHBondContact O-N 3.49Å; P157-F160 VanDerWaalsContact O-N 3.08Å; F160-G162 VanDerWaalsContact C-N 3.26Å; F160-G162 PolarHBondContact O-N 3.01Å; F160-K163 HydrophobicContact CD1-CB 3.92Å; F160-K163 VanDerWaalsContact CD1-N 3.33Å; F160-K163 WeakPolarHBondContact O-CB 3.28Å; F160-K163 PolarHBondContact O-N 3.46Å; F160-A164 PolarHBondContact O-N 3.32Å; F160-A200 HydrophobicContact CE2-CB 3.93Å; F160-A200 HydrophobicContact CZ-CB 3.98Å; F160-F201 HydrophobicContact CE1-CB 4.4Å; F160-F201 HydrophobicContact CE1-CD2 4.32Å; F160-F201 HydrophobicContact CZ-CB 3.84Å; F160-F201 HydrophobicContact CZ-CD2 4.26Å
161E92.7Very high91.2Very high105 Ų10557.4 Ų57.449%0.49132%0.321SS..Hα-helixtrans-56.4-37.2-173.864.4-179.4171.400113.4D159 K163 A164 K165 F196 A200D159-E161 PolarHBondContact O-N 2.86Å; D159-E161 VanDerWaalsContact O-N 3.12Å; E161-K163 VanDerWaalsContact C-N 3.29Å; E161-K163 PolarHBondContact O-N 3.23Å; E161-A164 PolarHBondContact O-N 3.4Å; E161-K165 PolarHBondContact O-N 3.09Å; E161-K165 VanDerWaalsContact O-N 3.14Å; E161-F196 HydrophobicContact CG-CE1 4.1Å; E161-F196 WeakPolarHBondContact OE2-CZ 3.36Å; E161-A200 HydrophobicContact CG-CB 4.04Å; E161-A200 WeakPolarHBondContact OE1-CB 3.1Å
162G93.7Very high91.5Very high0 Ų057 Ų570%031%0.31CS..Hα-helixtrans-64.1-35.7179.600000112F160 K165 V166 A197F160-G162 VanDerWaalsContact C-N 3.26Å; F160-G162 PolarHBondContact O-N 3.01Å; G162-K165 PolarHBondContact O-N 3.46Å; G162-V166 VanDerWaalsContact O-CG2 3.31Å; G162-V166 WeakPolarHBondContact O-CG2 3.36Å; G162-V166 PolarHBondContact O-N 3.28Å; G162-V166 VanDerWaalsContact O-N 3.08Å; G162-A197 VanDerWaalsContact CA-CB 3.48Å
163K94.4Very high92.1Very high61 Ų6150.5 Ų50.527%0.26529%0.285SS..Hα-helixtrans-66.5-41.2176.6-177.1179.1-178.4-1760111.4M150 F160 E161 K165 V166 Q167M150-K163 HydrophobicContact CE-CB 4.23Å; M150-K163 HydrophobicContact CE-CG 4.22Å; M150-K163 HydrophobicContact SD-CB 4.29Å; F160-K163 HydrophobicContact CD1-CB 3.92Å; F160-K163 VanDerWaalsContact CD1-N 3.33Å; F160-K163 WeakPolarHBondContact O-CB 3.28Å; F160-K163 PolarHBondContact O-N 3.46Å; E161-K163 VanDerWaalsContact C-N 3.29Å; E161-K163 PolarHBondContact O-N 3.23Å; K163-K165 VanDerWaalsContact C-N 3.32Å; K163-K165 PolarHBondContact O-N 3.01Å; K163-V166 PolarHBondContact O-N 3.07Å; K163-Q167 WeakPolarHBondContact O-CB 3.49Å; K163-Q167 PolarHBondContact O-N 3.41Å
164A94.5Very high92.5Very high66 Ų6654.6 Ų54.655%0.54531%0.307SS..Hα-helixtrans-62.2-40.8177.700000111.7F160 E161 Q167 Q168F160-A164 PolarHBondContact O-N 3.32Å; E161-A164 PolarHBondContact O-N 3.4Å; A164-Q167 PolarHBondContact O-N 2.81Å; A164-Q168 PolarHBondContact O-N 3.21Å
165K95.7Very high93.3Very high66 Ų6656.4 Ų56.429%0.28732%0.32SS..Hα-helixtrans-65.1-45.6177-79.8-69.5-171.4164.10113.4E161 G162 K163 Q167 Q168 W169 D193 F196E161-K165 PolarHBondContact O-N 3.09Å; E161-K165 VanDerWaalsContact O-N 3.14Å; G162-K165 PolarHBondContact O-N 3.46Å; K163-K165 VanDerWaalsContact C-N 3.32Å; K163-K165 PolarHBondContact O-N 3.01Å; K165-Q167 VanDerWaalsContact C-N 3.34Å; K165-Q168 PolarHBondContact O-N 3.28Å; K165-W169 PolarHBondContact O-N 3.42Å; K165-D193 HydrophobicContact CD-CB 4.3Å; K165-D193 IonicContact NZ-OD1 2.77Å; K165-D193 PolarHBondContact NZ-OD1 3.4Å; K165-D193 IonicContact NZ-OD2 3.39Å; K165-F196 HydrophobicContact CG-CD1 4.5Å
166V97.3Very high94.1Very high0 Ų055.8 Ų55.80%031%0.311CS..Hα-helixtrans-65.7-40177.3-179.90000110.7F122 L143 L146 V147 M150 G162 K163 Q168 W169 L170 A197F122-V166 HydrophobicContact CE1-CG2 3.96Å; F122-V166 HydrophobicContact CZ-CG2 4.25Å; L143-V166 HydrophobicContact CD2-CG1 3.52Å; L146-V166 HydrophobicContact CB-CG1 4.47Å; L146-V166 HydrophobicContact CD2-CG1 3.79Å; L146-V166 HydrophobicContact CD2-CG2 4.09Å; L146-V166 HydrophobicContact CG-CG1 4.03Å; V147-V166 HydrophobicContact CG2-CB 4.24Å; V147-V166 HydrophobicContact CG2-CG1 3.54Å; M150-V166 HydrophobicContact CE-CB 3.87Å; M150-V166 HydrophobicContact CE-CG1 4.03Å; M150-V166 HydrophobicContact CE-CG2 4.03Å; G162-V166 VanDerWaalsContact O-CG2 3.31Å; G162-V166 WeakPolarHBondContact O-CG2 3.36Å; G162-V166 PolarHBondContact O-N 3.28Å; G162-V166 VanDerWaalsContact O-N 3.08Å; K163-V166 PolarHBondContact O-N 3.07Å; V166-Q168 VanDerWaalsContact C-N 3.35Å; V166-Q168 PolarHBondContact O-N 3.04Å; V166-W169 PolarHBondContact O-N 3.4Å; V166-L170 PolarHBondContact O-N 2.94Å; V166-A197 HydrophobicContact CG2-CB 4.07Å
167Q97Very high94.5Very high54 Ų5463.3 Ų63.325%0.25234%0.339SS..Hα-helixtrans-60.3-42.1175.9-17564.565.900112.1K163 A164 K165 W169 L170 D171K163-Q167 WeakPolarHBondContact O-CB 3.49Å; K163-Q167 PolarHBondContact O-N 3.41Å; A164-Q167 PolarHBondContact O-N 2.81Å; K165-Q167 VanDerWaalsContact C-N 3.34Å; Q167-W169 VanDerWaalsContact C-N 3.27Å; Q167-W169 PolarHBondContact O-N 3.36Å; Q167-L170 WeakPolarHBondContact O-CB 3.4Å; Q167-L170 PolarHBondContact O-N 2.87Å; Q167-L170 VanDerWaalsContact O-N 3.15Å; Q167-D171 PolarHBondContact NE2-OD1 2.81Å; Q167-D171 PolarHBondContact O-N 3.33Å
168Q97.2Very high94.8Very high102 Ų10263.7 Ų63.748%0.47735%0.346SS..Hα-helixtrans-57.3-40.5177-177.7-172.5-10.800112.4A164 K165 V166 T172A164-Q168 PolarHBondContact O-N 3.21Å; K165-Q168 PolarHBondContact O-N 3.28Å; V166-Q168 VanDerWaalsContact C-N 3.35Å; V166-Q168 PolarHBondContact O-N 3.04Å; Q168-T172 PolarHBondContact O-N 3Å; Q168-T172 PolarHBondContact O-OG1 3.47Å
169W98.1Very high95.2Very high16 Ų1662.5 Ų62.56%0.06134%0.344CS..Hα-helixtrans-70.6-39.6176.8-78.6108.4000112.2L143 K165 V166 Q167 D171 T172 L173 L182 Q186 Q189 M190 D193L143-W169 HydrophobicContact CD1-CB 4.38Å; L143-W169 HydrophobicContact CD2-CB 4.43Å; K165-W169 PolarHBondContact O-N 3.42Å; V166-W169 PolarHBondContact O-N 3.4Å; Q167-W169 VanDerWaalsContact C-N 3.27Å; Q167-W169 PolarHBondContact O-N 3.36Å; W169-D171 VanDerWaalsContact C-N 3.34Å; W169-D171 PolarHBondContact O-N 2.93Å; W169-T172 WeakPolarHBondContact O-CB 3.47Å; W169-T172 PolarHBondContact O-N 3.13Å; W169-L173 WeakPolarHBondContact O-CG 3.23Å; W169-L173 PolarHBondContact O-N 3.45Å; W169-L182 HydrophobicContact CZ3-CD2 4.41Å; W169-Q186 HydrophobicContact CH2-CB 4.38Å; W169-Q186 VanDerWaalsContact CH2-O 3.26Å; W169-Q186 WeakPolarHBondContact CH2-O 3.43Å; W169-Q186 HydrophobicContact CZ3-CB 4.41Å; W169-Q189 HydrophobicContact CH2-CB 4.28Å; W169-Q189 HydrophobicContact CH2-CG 4.48Å; W169-Q189 HydrophobicContact CZ2-CB 4.07Å; W169-Q189 HydrophobicContact CZ2-CG 3.95Å; W169-M190 HydrophobicContact CD2-CB 3.83Å; W169-M190 HydrophobicContact CD2-CG 3.63Å; W169-M190 HydrophobicContact CD2-SD 4.16Å; W169-M190 VanDerWaalsContact CE2-CA 3.47Å; W169-M190 HydrophobicContact CE3-CB 4.01Å; W169-M190 HydrophobicContact CE3-CG 4Å; W169-M190 HydrophobicContact CE3-SD 4.06Å; W169-M190 HydrophobicContact CG-CG 3.88Å; W169-M190 HydrophobicContact CG-SD 4.41Å; W169-M190 HydrophobicContact CH2-CB 3.8Å; W169-M190 HydrophobicContact CZ2-CB 3.62Å; W169-M190 HydrophobicContact CZ2-CG 4.33Å; W169-M190 VanDerWaalsContact CZ2-N 3.3Å; W169-M190 HydrophobicContact CZ3-CB 4Å; W169-M190 HydrophobicContact CZ3-CG 4.48Å; W169-D193 PolarHBondContact NE1-OD2 3.04Å
170L97.9Very high95.8Very high0 Ų059 Ų590%032%0.323CS..Hα-helixtrans-60.9-43.9174.1-174.859.6000111.8L143 R144 V147 V166 Q167 T172 L173 D174L143-L170 HydrophobicContact CB-CD1 4.15Å; R144-L170 HydrophobicContact CB-CD1 4.14Å; R144-L170 HydrophobicContact CB-CD2 4.4Å; V147-L170 HydrophobicContact CB-CD2 4.14Å; V147-L170 HydrophobicContact CG1-CD2 4.49Å; V147-L170 HydrophobicContact CG2-CD2 3.86Å; V166-L170 PolarHBondContact O-N 2.94Å; Q167-L170 WeakPolarHBondContact O-CB 3.4Å; Q167-L170 PolarHBondContact O-N 2.87Å; Q167-L170 VanDerWaalsContact O-N 3.15Å; L170-T172 VanDerWaalsContact C-N 3.26Å; L170-T172 PolarHBondContact O-N 3.46Å; L170-L173 PolarHBondContact O-N 3.5Å; L170-D174 WeakPolarHBondContact O-CB 3.45Å; L170-D174 PolarHBondContact O-N 3.21Å
171D97.9Very high96Very high87 Ų8764.2 Ų64.247%0.46535%0.348SS..Hα-helixtrans-62-36.2175.6-62.9-16.7000111.6Q167 W169 S175Q167-D171 PolarHBondContact NE2-OD1 2.81Å; Q167-D171 PolarHBondContact O-N 3.33Å; W169-D171 VanDerWaalsContact C-N 3.34Å; W169-D171 PolarHBondContact O-N 2.93Å; D171-S175 PolarHBondContact O-N 2.88Å
172T97.6Very high96.2Very high38 Ų3859.4 Ų59.423%0.23333%0.325CS..Hα-helixtrans-63.9-48174.9-570000110.5Q168 W169 L170 S175 M176Q168-T172 PolarHBondContact O-N 3Å; Q168-T172 PolarHBondContact O-OG1 3.47Å; W169-T172 WeakPolarHBondContact O-CB 3.47Å; W169-T172 PolarHBondContact O-N 3.13Å; L170-T172 VanDerWaalsContact C-N 3.26Å; L170-T172 PolarHBondContact O-N 3.46Å; T172-S175 PolarHBondContact O-N 3.46Å; T172-S175 PolarHBondContact O-OG 3.42Å; T172-M176 HydrophobicContact CG2-SD 4.45Å; T172-M176 WeakPolarHBondContact O-CG 3.45Å
173L97.7Very high96.4Very high1 Ų163.4 Ų63.41%0.00535%0.347CS..Hα-helixtrans-66.4-36.2177.8-64.2-170.5000112.7V136 L139 H140 L143 W169 L170 S175 M176 L182V136-L173 HydrophobicContact CG1-CB 4.28Å; V136-L173 HydrophobicContact CG2-CD2 3.97Å; L139-L173 HydrophobicContact CB-CD1 3.92Å; H140-L173 HydrophobicContact CB-CD1 4.12Å; L143-L173 HydrophobicContact CD1-CD1 3.33Å; L143-L173 HydrophobicContact CD1-CG 4.24Å; W169-L173 WeakPolarHBondContact O-CG 3.23Å; W169-L173 PolarHBondContact O-N 3.45Å; L170-L173 PolarHBondContact O-N 3.5Å; L173-S175 PolarHBondContact O-N 3.24Å; L173-M176 HydrophobicContact CD2-SD 4.24Å; L173-M176 PolarHBondContact O-N 2.96Å; L173-L182 HydrophobicContact CD2-CD1 4.3Å; L173-L182 HydrophobicContact CD2-CD2 3.82Å; L173-L182 HydrophobicContact CD2-CG 4.11Å
174D97.2Very high96.4Very high92 Ų9263.4 Ų63.449%0.49236%0.355SS..Hα-helixtrans-61.3-25.7174.8-82.7-27.1000112.2H140 L170 M176H140-D174 IonicContact CD2-OD1 3.97Å; H140-D174 IonicContact CE1-OD1 2.96Å; H140-D174 IonicContact NE2-OD1 2.84Å; H140-D174 PolarHBondContact NE2-OD1 3.11Å; L170-D174 WeakPolarHBondContact O-CB 3.45Å; L170-D174 PolarHBondContact O-N 3.21Å; D174-M176 VanDerWaalsContact C-N 3.33Å
175S96.8Very high96.5Very high101 Ų10166 Ų6671%0.70636%0.359SS*.THydrogen-bonded Turntrans-83.1-7.6175.878.80000114.3D171 T172 L173D171-S175 PolarHBondContact O-N 2.88Å; T172-S175 PolarHBondContact O-N 3.46Å; T172-S175 PolarHBondContact O-OG 3.42Å; L173-S175 PolarHBondContact O-N 3.24Å
176M97.1Very high96.6Very high39 Ų3965.7 Ų65.719%0.19236%0.359CS..SBendtrans-106158.1-178.2-62.417369.700110.7V136 T172 L173 D174 E180 L182V136-M176 HydrophobicContact CG2-CB 3.7Å; V136-M176 HydrophobicContact CG2-CE 3.94Å; V136-M176 HydrophobicContact CG2-SD 4.15Å; T172-M176 HydrophobicContact CG2-SD 4.45Å; T172-M176 WeakPolarHBondContact O-CG 3.45Å; L173-M176 HydrophobicContact CD2-SD 4.24Å; L173-M176 PolarHBondContact O-N 2.96Å; D174-M176 VanDerWaalsContact C-N 3.33Å; M176-E180 HydrophobicContact CB-CB 4.43Å; M176-E180 HydrophobicContact CE-CB 3.89Å; M176-L182 HydrophobicContact CE-CD2 4.26Å; M176-L182 HydrophobicContact SD-CD2 3.98Å
177R95.7Very high96.6Very high173 Ų17365.9 Ų65.965%0.65336%0.36SS*.  trans-79148.9172-60.8176.5-68.2157.62.4109.3A179 E180R177-A179 PolarHBondContact O-N 3.37Å; R177-E180 HydrophobicContact CB-CG 4.08Å; R177-E180 WeakPolarHBondContact CB-OE2 3.4Å; R177-E180 IonicContact CZ-OE1 2.64Å; R177-E180 PolarHBondContact N-OE2 2.81Å; R177-E180 IonicContact NE-OE1 3.46Å; R177-E180 PolarHBondContact NE-OE1 2.87Å; R177-E180 VanDerWaalsContact NE-OE1 3.13Å; R177-E180 IonicContact NE-OE2 2.87Å; R177-E180 PolarHBondContact NE-OE2 3.43Å; R177-E180 IonicContact NH2-OE1 3.94Å; R177-E180 PolarHBondContact NH2-OE1 3.43Å; R177-E180 WeakPolarHBondContact O-CB 3.35Å; R177-E180 PolarHBondContact O-N 3.4Å
178A91.2Very high96.6Very high60 Ų6072.1 Ų72.150%0.49638%0.381SS..THydrogen-bonded Turntrans-49-36.2178.300000114.6D137D137-A178 HydrophobicContact CB-CB 4.19Å; D137-A178 PolarHBondContact N-O 3.37Å
179A91.7Very high96.6Very high94 Ų9471.6 Ų71.678%0.77738%0.379SS*.THydrogen-bonded Turntrans-87.1-0.8-179.200000114.4R177R177-A179 PolarHBondContact O-N 3.37Å
180E96.8Very high96.6Very high64 Ų6470.9 Ų70.930%0.29938%0.376SS..  trans-82.6152.2174.6-70175.1144.200110.1V136 M176 R177V136-E180 HydrophobicContact CG2-CB 4.49Å; V136-E180 WeakPolarHBondContact CG2-O 3.5Å; V136-E180 PolarHBondContact N-O 3.21Å; M176-E180 HydrophobicContact CB-CB 4.43Å; M176-E180 HydrophobicContact CE-CB 3.89Å; R177-E180 HydrophobicContact CB-CG 4.08Å; R177-E180 WeakPolarHBondContact CB-OE2 3.4Å; R177-E180 IonicContact CZ-OE1 2.64Å; R177-E180 PolarHBondContact N-OE2 2.81Å; R177-E180 IonicContact NE-OE1 3.46Å; R177-E180 PolarHBondContact NE-OE1 2.87Å; R177-E180 VanDerWaalsContact NE-OE1 3.13Å; R177-E180 IonicContact NE-OE2 2.87Å; R177-E180 PolarHBondContact NE-OE2 3.43Å; R177-E180 IonicContact NH2-OE1 3.94Å; R177-E180 PolarHBondContact NH2-OE1 3.43Å; R177-E180 WeakPolarHBondContact O-CB 3.35Å; R177-E180 PolarHBondContact O-N 3.4Å
181E97.6Very high96.6Very high130 Ų13072 Ų7261%0.60738%0.383SS*.BIsolated β-bridgetrans-117147.2178.8-62-17316600109.9R134 A135R134-E181 HydrophobicContact CB-CB 4.15Å; R134-E181 VanDerWaalsContact O-CA 3.31Å; R134-E181 WeakPolarHBondContact O-CA 3.31Å; A135-E181 HydrophobicContact CB-CG 4.23Å
182L97.2Very high96.5Very high4 Ų473.9 Ų73.92%0.02139%0.388CS..  trans-63.1136.7165.3-64.6177.9000109.7L129 R134 L139 W169 L173 M176 Q186 A187 M190L129-L182 HydrophobicContact CD2-CD1 4.39Å; R134-L182 HydrophobicContact CB-CB 4.35Å; R134-L182 VanDerWaalsContact CD-O 3.3Å; R134-L182 WeakPolarHBondContact CD-O 3.31Å; R134-L182 PolarHBondContact O-N 3.13Å; L139-L182 HydrophobicContact CD1-CD1 3.79Å; L139-L182 HydrophobicContact CD1-CG 4.44Å; W169-L182 HydrophobicContact CZ3-CD2 4.41Å; L173-L182 HydrophobicContact CD2-CD1 4.3Å; L173-L182 HydrophobicContact CD2-CD2 3.82Å; L173-L182 HydrophobicContact CD2-CG 4.11Å; M176-L182 HydrophobicContact CE-CD2 4.26Å; M176-L182 HydrophobicContact SD-CD2 3.98Å; L182-Q186 HydrophobicContact CB-CB 4.08Å; L182-Q186 HydrophobicContact CD2-CB 4.14Å; L182-A187 HydrophobicContact CB-CB 4.49Å; L182-M190 HydrophobicContact CD1-SD 3.59Å; L182-M190 VanDerWaalsContact CD1-SD 3.59Å
183D96.9Very high96.5Very high83 Ų8372.5 Ų72.544%0.44438%0.379SS..  trans-70172.1171.371.548.9000111.6D185 Q186 A187D183-D185 VanDerWaalsContact C-N 3.27Å; D183-D185 PolarHBondContact O-N 2.82Å; D183-D185 WeakPolarHBondContact OD1-CA 3.32Å; D183-D185 WeakPolarHBondContact OD1-CB 3.23Å; D183-D185 PolarHBondContact OD1-N 3.1Å; D183-Q186 PolarHBondContact O-N 2.97Å; D183-Q186 WeakPolarHBondContact OD1-CG 3.23Å; D183-Q186 PolarHBondContact OD1-N 3.27Å; D183-Q186 PolarHBondContact OD2-OE1 3.02Å; D183-A187 WeakPolarHBondContact O-CB 3.49Å; D183-A187 PolarHBondContact O-N 2.99Å
184S95.3Very high96.5Very high62 Ų6272.5 Ų72.543%0.43438%0.379SS..Hα-helixtrans-64.2-31.1-175.8-170.50000113.4R188S184-R188 VanDerWaalsContact O-CG 3.27Å; S184-R188 WeakPolarHBondContact O-CG 3.44Å; S184-R188 PolarHBondContact O-N 3.25Å
185D96.9Very high96.5Very high120 Ų12071.3 Ų71.364%0.64237%0.37SS*.Hα-helixtrans-78.7-43-179.4-72.1-25.6000110D183 A187 R188 Q189D183-D185 VanDerWaalsContact C-N 3.27Å; D183-D185 PolarHBondContact O-N 2.82Å; D183-D185 WeakPolarHBondContact OD1-CA 3.32Å; D183-D185 WeakPolarHBondContact OD1-CB 3.23Å; D183-D185 PolarHBondContact OD1-N 3.1Å; D185-A187 PolarHBondContact O-N 3.41Å; D185-R188 PolarHBondContact O-N 3.25Å; D185-Q189 WeakPolarHBondContact O-CB 3.41Å; D185-Q189 PolarHBondContact O-N 3.12Å
186Q97.5Very high96.5Very high60 Ų6070.3 Ų70.328%0.2835%0.353SS..Hα-helixtrans-57.6-48.2172.3-70.6178.2-41.700111.4W169 L182 D183 R188 Q189 M190W169-Q186 HydrophobicContact CH2-CB 4.38Å; W169-Q186 VanDerWaalsContact CH2-O 3.26Å; W169-Q186 WeakPolarHBondContact CH2-O 3.43Å; W169-Q186 HydrophobicContact CZ3-CB 4.41Å; L182-Q186 HydrophobicContact CB-CB 4.08Å; L182-Q186 HydrophobicContact CD2-CB 4.14Å; D183-Q186 PolarHBondContact O-N 2.97Å; D183-Q186 WeakPolarHBondContact OD1-CG 3.23Å; D183-Q186 PolarHBondContact OD1-N 3.27Å; D183-Q186 PolarHBondContact OD2-OE1 3.02Å; Q186-R188 PolarHBondContact O-N 3.44Å; Q186-Q189 PolarHBondContact O-N 3.31Å; Q186-M190 WeakPolarHBondContact O-CB 3.42Å; Q186-M190 PolarHBondContact O-N 3.26Å
187A97.2Very high96.6Very high4 Ų468.5 Ų68.53%0.03334%0.344CS..Hα-helixtrans-61.5-42.7179.100000111.8L129 R134 L182 D183 D185 M190 V191L129-A187 HydrophobicContact CD2-CB 4.38Å; R134-A187 HydrophobicContact CG-CB 4.18Å; L182-A187 HydrophobicContact CB-CB 4.49Å; D183-A187 WeakPolarHBondContact O-CB 3.49Å; D183-A187 PolarHBondContact O-N 2.99Å; D185-A187 PolarHBondContact O-N 3.41Å; A187-M190 PolarHBondContact O-N 3.29Å; A187-V191 WeakPolarHBondContact O-CG2 3.44Å; A187-V191 PolarHBondContact O-N 3.22Å
188R96.4Very high96.7Very high184 Ų18462.6 Ų62.669%0.69432%0.322SS*.Hα-helixtrans-65.8-40.6176.7-74.2-179.880.5-171.45.4112.2S184 D185 Q186 M190 V191 F192S184-R188 VanDerWaalsContact O-CG 3.27Å; S184-R188 WeakPolarHBondContact O-CG 3.44Å; S184-R188 PolarHBondContact O-N 3.25Å; D185-R188 PolarHBondContact O-N 3.25Å; Q186-R188 PolarHBondContact O-N 3.44Å; R188-M190 VanDerWaalsContact C-N 3.34Å; R188-V191 PolarHBondContact O-N 3.42Å; R188-F192 PolarHBondContact O-N 2.84Å; R188-F192 VanDerWaalsContact O-N 3.16Å
189Q97.8Very high96.9Very high92 Ų9263.8 Ų63.843%0.4332%0.321SS..Hα-helixtrans-66.3-39.1176.5-17253.655.200111.2W169 D185 Q186 F192 D193W169-Q189 HydrophobicContact CH2-CB 4.28Å; W169-Q189 HydrophobicContact CH2-CG 4.48Å; W169-Q189 HydrophobicContact CZ2-CB 4.07Å; W169-Q189 HydrophobicContact CZ2-CG 3.95Å; D185-Q189 WeakPolarHBondContact O-CB 3.41Å; D185-Q189 PolarHBondContact O-N 3.12Å; Q186-Q189 PolarHBondContact O-N 3.31Å; Q189-F192 PolarHBondContact O-N 3.41Å; Q189-D193 PolarHBondContact NE2-OD1 3.33Å; Q189-D193 PolarHBondContact NE2-OD2 3.11Å; Q189-D193 VanDerWaalsContact NE2-OD2 3.1Å; Q189-D193 PolarHBondContact O-N 3.45Å
190M97.8Very high97.1Very high0 Ų059.7 Ų59.70%029%0.287CS..Hα-helixtrans-63.8-45.3176.3-173.3177.9167.400111.7V125 L129 L143 W169 L182 Q186 A187 R188 F192 D193 V194V125-M190 HydrophobicContact CG1-CE 3.58Å; L129-M190 HydrophobicContact CD1-CB 4.09Å; L129-M190 HydrophobicContact CD1-CE 3.94Å; L129-M190 HydrophobicContact CD1-CG 3.7Å; L129-M190 HydrophobicContact CD1-SD 3.8Å; L129-M190 HydrophobicContact CD2-SD 3.99Å; L129-M190 HydrophobicContact CG-SD 4.46Å; L143-M190 HydrophobicContact CD1-CE 3.34Å; L143-M190 HydrophobicContact CD2-CE 3.93Å; L143-M190 HydrophobicContact CG-CE 3.83Å; W169-M190 HydrophobicContact CD2-CB 3.83Å; W169-M190 HydrophobicContact CD2-CG 3.63Å; W169-M190 HydrophobicContact CD2-SD 4.16Å; W169-M190 VanDerWaalsContact CE2-CA 3.47Å; W169-M190 HydrophobicContact CE3-CB 4.01Å; W169-M190 HydrophobicContact CE3-CG 4Å; W169-M190 HydrophobicContact CE3-SD 4.06Å; W169-M190 HydrophobicContact CG-CG 3.88Å; W169-M190 HydrophobicContact CG-SD 4.41Å; W169-M190 HydrophobicContact CH2-CB 3.8Å; W169-M190 HydrophobicContact CZ2-CB 3.62Å; W169-M190 HydrophobicContact CZ2-CG 4.33Å; W169-M190 VanDerWaalsContact CZ2-N 3.3Å; W169-M190 HydrophobicContact CZ3-CB 4Å; W169-M190 HydrophobicContact CZ3-CG 4.48Å; L182-M190 HydrophobicContact CD1-SD 3.59Å; L182-M190 VanDerWaalsContact CD1-SD 3.59Å; Q186-M190 WeakPolarHBondContact O-CB 3.42Å; Q186-M190 PolarHBondContact O-N 3.26Å; A187-M190 PolarHBondContact O-N 3.29Å; R188-M190 VanDerWaalsContact C-N 3.34Å; M190-F192 VanDerWaalsContact C-N 3.28Å; M190-F192 PolarHBondContact O-N 3.08Å; M190-D193 PolarHBondContact O-N 3.07Å; M190-V194 HydrophobicContact CE-CG2 4.29Å; M190-V194 HydrophobicContact CG-CG2 4.05Å; M190-V194 WeakPolarHBondContact O-CB 3.33Å; M190-V194 WeakPolarHBondContact O-CG2 3.46Å; M190-V194 PolarHBondContact O-N 3.34Å
191V97.1Very high97.1Very high24 Ų2456.7 Ų56.715%0.14527%0.273CS..Hα-helixtrans-55.7-46.9174.3171.90000110.7L129 A187 R188 V194 E195L129-V191 HydrophobicContact CB-CG2 3.46Å; L129-V191 VanDerWaalsContact CB-CG2 3.46Å; L129-V191 HydrophobicContact CD1-CG2 3.68Å; L129-V191 HydrophobicContact CG-CG2 4.19Å; A187-V191 WeakPolarHBondContact O-CG2 3.44Å; A187-V191 PolarHBondContact O-N 3.22Å; R188-V191 PolarHBondContact O-N 3.42Å; V191-V194 PolarHBondContact O-N 2.99Å; V191-E195 HydrophobicContact CG1-CG 4.43Å; V191-E195 WeakPolarHBondContact O-CB 3.32Å; V191-E195 WeakPolarHBondContact O-CG 3.33Å; V191-E195 PolarHBondContact O-N 2.9Å
192F97.2Very high96.9Very high127 Ų12752.3 Ų52.356%0.55725%0.253SS*.Hα-helixtrans-61.2-46.9179.3179-91.2000112.5R188 Q189 M190 E195 F196R188-F192 PolarHBondContact O-N 2.84Å; R188-F192 VanDerWaalsContact O-N 3.16Å; Q189-F192 PolarHBondContact O-N 3.41Å; M190-F192 VanDerWaalsContact C-N 3.28Å; M190-F192 PolarHBondContact O-N 3.08Å; F192-E195 PolarHBondContact O-N 2.91Å; F192-F196 WeakPolarHBondContact O-CB 3.42Å; F192-F196 PolarHBondContact O-N 2.61Å
193D98Very high96.7Very high8 Ų858.9 Ų58.94%0.04328%0.282CS..Hα-helixtrans-68.3-37.2-179.2-75.9-42.7000112.4K165 W169 Q189 M190 F196 A197K165-D193 HydrophobicContact CD-CB 4.3Å; K165-D193 IonicContact NZ-OD1 2.77Å; K165-D193 PolarHBondContact NZ-OD1 3.4Å; K165-D193 IonicContact NZ-OD2 3.39Å; W169-D193 PolarHBondContact NE1-OD2 3.04Å; Q189-D193 PolarHBondContact NE2-OD1 3.33Å; Q189-D193 PolarHBondContact NE2-OD2 3.11Å; Q189-D193 VanDerWaalsContact NE2-OD2 3.1Å; Q189-D193 PolarHBondContact O-N 3.45Å; M190-D193 PolarHBondContact O-N 3.07Å; D193-F196 WeakPolarHBondContact O-CB 2.97Å; D193-F196 PolarHBondContact O-N 3.08Å; D193-A197 WeakPolarHBondContact O-CB 3.11Å; D193-A197 PolarHBondContact O-N 3.04Å
194V97.5Very high96.4Very high1 Ų157.4 Ų57.41%0.00627%0.272CS..Hα-helixtrans-69.7-41.9176.1175.60000110.6F122 V125 M126 M190 V191 F196 A197 Y198F122-V194 HydrophobicContact CD1-CG1 3.69Å; F122-V194 HydrophobicContact CE1-CG1 4.15Å; V125-V194 HydrophobicContact CG1-CG1 4.29Å; V125-V194 HydrophobicContact CG1-CG2 4.26Å; M126-V194 HydrophobicContact CG-CB 4.35Å; M126-V194 HydrophobicContact CG-CG1 3.61Å; M126-V194 HydrophobicContact SD-CG1 4.35Å; M190-V194 HydrophobicContact CE-CG2 4.29Å; M190-V194 HydrophobicContact CG-CG2 4.05Å; M190-V194 WeakPolarHBondContact O-CB 3.33Å; M190-V194 WeakPolarHBondContact O-CG2 3.46Å; M190-V194 PolarHBondContact O-N 3.34Å; V191-V194 PolarHBondContact O-N 2.99Å; V194-F196 VanDerWaalsContact C-N 3.32Å; V194-F196 PolarHBondContact O-N 3.28Å; V194-A197 PolarHBondContact O-N 3.3Å; V194-Y198 WeakPolarHBondContact O-CB 3.43Å; V194-Y198 PolarHBondContact O-N 3.43Å
195E97.1Very high96.1Very high67 Ų6756.7 Ų56.731%0.31326%0.263SS..Hα-helixtrans-62-40.2172.5-81.9-177.1176.200111.5M126 K130 V191 F192 Y198 N199M126-E195 HydrophobicContact CG-CG 4.4Å; M126-E195 HydrophobicContact SD-CB 4.32Å; M126-E195 HydrophobicContact SD-CG 3.33Å; M126-E195 WeakPolarHBondContact SD-CG 3.44Å; K130-E195 IonicContact NZ-OE1 2.77Å; K130-E195 PolarHBondContact NZ-OE1 3.1Å; V191-E195 HydrophobicContact CG1-CG 4.43Å; V191-E195 WeakPolarHBondContact O-CB 3.32Å; V191-E195 WeakPolarHBondContact O-CG 3.33Å; V191-E195 PolarHBondContact O-N 2.9Å; F192-E195 PolarHBondContact O-N 2.91Å; E195-Y198 PolarHBondContact O-N 3.21Å; E195-N199 WeakPolarHBondContact O-CB 3.31Å; E195-N199 VanDerWaalsContact O-CG 3.22Å; E195-N199 PolarHBondContact O-N 3.33Å; E195-N199 PolarHBondContact O-ND2 3.37Å
196F97.1Very high95.4Very high81 Ų8158.4 Ų58.436%0.35527%0.266SS..Hα-helixtrans-60.1-50.2173.7175.6-91.1000111.5E161 K165 F192 D193 V194 Y198 N199 A200E161-F196 HydrophobicContact CG-CE1 4.1Å; E161-F196 WeakPolarHBondContact OE2-CZ 3.36Å; K165-F196 HydrophobicContact CG-CD1 4.5Å; F192-F196 WeakPolarHBondContact O-CB 3.42Å; F192-F196 PolarHBondContact O-N 2.61Å; D193-F196 WeakPolarHBondContact O-CB 2.97Å; D193-F196 PolarHBondContact O-N 3.08Å; V194-F196 VanDerWaalsContact C-N 3.32Å; V194-F196 PolarHBondContact O-N 3.28Å; F196-Y198 VanDerWaalsContact C-N 3.34Å; F196-Y198 PolarHBondContact O-N 3.02Å; F196-N199 PolarHBondContact O-N 3.29Å; F196-A200 PolarHBondContact O-N 3.36Å
197A97.6Very high94.3Very high0 Ų062.3 Ų62.30%029%0.289CS..Hα-helixtrans-61-41.5178.600000112.2F122 G162 V166 D193 V194 A200 F201F122-A197 HydrophobicContact CE1-CB 3.77Å; F122-A197 HydrophobicContact CZ-CB 3.92Å; G162-A197 VanDerWaalsContact CA-CB 3.48Å; V166-A197 HydrophobicContact CG2-CB 4.07Å; D193-A197 WeakPolarHBondContact O-CB 3.11Å; D193-A197 PolarHBondContact O-N 3.04Å; V194-A197 PolarHBondContact O-N 3.3Å; A197-A200 PolarHBondContact O-N 3.47Å; A197-F201 WeakPolarHBondContact O-CB 3.3Å; A197-F201 PolarHBondContact O-N 2.84Å
198Y97.7Very high92.3Very high49 Ų4967.6 Ų67.619%0.19234%0.344CS..Hα-helixtrans-63.4-43.1176-179.7-123.2000112.1V119 F122 M126 V194 E195 F196 F201 N202V119-Y198 HydrophobicContact CB-CE2 4.46Å; V119-Y198 HydrophobicContact CG1-CE2 4.15Å; V119-Y198 HydrophobicContact CG2-CE2 4.24Å; F122-Y198 HydrophobicContact CB-CD2 3.61Å; F122-Y198 HydrophobicContact CB-CE2 4.18Å; F122-Y198 HydrophobicContact CB-CG 4.11Å; F122-Y198 HydrophobicContact CD1-CD2 4.41Å; F122-Y198 HydrophobicContact CD1-CG 4.49Å; F122-Y198 AromaticContact CD2-CD2 3.6Å; F122-Y198 HydrophobicContact CD2-CD2 3.6Å; F122-Y198 HydrophobicContact CD2-CE2 4.45Å; F122-Y198 HydrophobicContact CD2-CG 4.4Å; F122-Y198 HydrophobicContact CE2-CD2 4.36Å; F122-Y198 AromaticContact CG-CD2 3.64Å; F122-Y198 HydrophobicContact CG-CD2 3.64Å; F122-Y198 HydrophobicContact CG-CG 4.12Å; M126-Y198 HydrophobicContact CE-CD1 3.97Å; M126-Y198 HydrophobicContact CE-CE1 4.4Å; M126-Y198 HydrophobicContact CE-CG 4.23Å; V194-Y198 WeakPolarHBondContact O-CB 3.43Å; V194-Y198 PolarHBondContact O-N 3.43Å; E195-Y198 PolarHBondContact O-N 3.21Å; F196-Y198 VanDerWaalsContact C-N 3.34Å; F196-Y198 PolarHBondContact O-N 3.02Å; Y198-F201 WeakPolarHBondContact O-CB 3.46Å; Y198-F201 PolarHBondContact O-N 3.48Å; Y198-N202 VanDerWaalsContact CE1-ND2 3.29Å; Y198-N202 WeakPolarHBondContact CE1-ND2 3.26Å; Y198-N202 PolarHBondContact O-N 3.45Å; Y198-N202 PolarHBondContact O-ND2 3.44Å
199N96.4Very high92.1Very high86 Ų8661.8 Ų61.846%0.4633%0.327SS..Hα-helixtrans-65.3-39.4176.3-74.4-40.2000112.3E195 F196 F201 N202 K203E195-N199 WeakPolarHBondContact O-CB 3.31Å; E195-N199 VanDerWaalsContact O-CG 3.22Å; E195-N199 PolarHBondContact O-N 3.33Å; E195-N199 PolarHBondContact O-ND2 3.37Å; F196-N199 PolarHBondContact O-N 3.29Å; N199-F201 VanDerWaalsContact C-N 3.3Å; N199-N202 PolarHBondContact O-N 2.92Å; N199-K203 WeakPolarHBondContact O-CG 3.47Å; N199-K203 PolarHBondContact O-N 3.46Å
200A95.8Very high91.8Very high8 Ų860.2 Ų60.27%0.06632%0.321CS..Hα-helixtrans-61.8-40.6172.600000111.3F160 E161 F196 A197 K203 F204F160-A200 HydrophobicContact CE2-CB 3.93Å; F160-A200 HydrophobicContact CZ-CB 3.98Å; E161-A200 HydrophobicContact CG-CB 4.04Å; E161-A200 WeakPolarHBondContact OE1-CB 3.1Å; F196-A200 PolarHBondContact O-N 3.36Å; A197-A200 PolarHBondContact O-N 3.47Å; A200-K203 PolarHBondContact O-N 3.13Å; A200-F204 PolarHBondContact O-N 3.42Å
201F96Very high91.5Very high0 Ų063.6 Ų63.60%034%0.339CS..Hα-helixtrans-64.6-45.3177.4-174.2-108.5000111.5I115 I118 V119 F122 M153 L156 F160 A197 Y198 N199 K203 F204 L205I115-F201 HydrophobicContact CG1-CZ 4.28Å; I118-F201 HydrophobicContact CB-CE1 4.08Å; I118-F201 HydrophobicContact CB-CZ 3.98Å; I118-F201 HydrophobicContact CD1-CE2 3.99Å; I118-F201 HydrophobicContact CD1-CZ 3.81Å; I118-F201 HydrophobicContact CG2-CD1 3.85Å; I118-F201 HydrophobicContact CG2-CD2 4.26Å; I118-F201 HydrophobicContact CG2-CE1 3.51Å; I118-F201 HydrophobicContact CG2-CE2 3.98Å; I118-F201 HydrophobicContact CG2-CG 4.2Å; I118-F201 HydrophobicContact CG2-CZ 3.6Å; V119-F201 HydrophobicContact CG2-CD1 4.47Å; V119-F201 HydrophobicContact CG2-CE1 4.06Å; F122-F201 HydrophobicContact CE2-CB 4.21Å; F122-F201 HydrophobicContact CE2-CG 4.35Å; M153-F201 HydrophobicContact CE-CE2 4.32Å; M153-F201 HydrophobicContact CE-CZ 4.35Å; M153-F201 HydrophobicContact SD-CE2 3.93Å; M153-F201 HydrophobicContact SD-CZ 4.01Å; L156-F201 HydrophobicContact CD1-CD2 3.94Å; L156-F201 HydrophobicContact CD1-CE2 3.97Å; F160-F201 HydrophobicContact CE1-CB 4.4Å; F160-F201 HydrophobicContact CE1-CD2 4.32Å; F160-F201 HydrophobicContact CZ-CB 3.84Å; F160-F201 HydrophobicContact CZ-CD2 4.26Å; A197-F201 WeakPolarHBondContact O-CB 3.3Å; A197-F201 PolarHBondContact O-N 2.84Å; Y198-F201 WeakPolarHBondContact O-CB 3.46Å; Y198-F201 PolarHBondContact O-N 3.48Å; N199-F201 VanDerWaalsContact C-N 3.3Å; F201-K203 VanDerWaalsContact C-N 3.35Å; F201-K203 PolarHBondContact O-N 2.75Å; F201-F204 WeakPolarHBondContact O-CB 3.5Å; F201-F204 PolarHBondContact O-N 3.35Å; F201-F204 VanDerWaalsContact O-N 3.14Å; F201-L205 HydrophobicContact CD1-CD1 3.97Å; F201-L205 HydrophobicContact CD1-CG 4.39Å; F201-L205 HydrophobicContact CE1-CD1 3.56Å; F201-L205 HydrophobicContact CE1-CD2 4.44Å; F201-L205 HydrophobicContact CE1-CG 4.12Å; F201-L205 HydrophobicContact CZ-CD1 4.1Å; F201-L205 HydrophobicContact CZ-CD2 4.14Å; F201-L205 HydrophobicContact CZ-CG 4.28Å; F201-L205 WeakPolarHBondContact O-CG 3.47Å; F201-L205 PolarHBondContact O-N 3.02Å
202N94.5Very high91.1Very high38 Ų3865.9 Ų65.920%0.20335%0.351CS..Hα-helixtrans-61.6-40.7175.3-74.6-38.3000112.5Y198 N199 F204 L205 H206Y198-N202 VanDerWaalsContact CE1-ND2 3.29Å; Y198-N202 WeakPolarHBondContact CE1-ND2 3.26Å; Y198-N202 PolarHBondContact O-N 3.45Å; Y198-N202 PolarHBondContact O-ND2 3.44Å; N199-N202 PolarHBondContact O-N 2.92Å; N202-F204 VanDerWaalsContact C-N 3.31Å; N202-F204 PolarHBondContact O-N 3.44Å; N202-L205 PolarHBondContact O-N 2.82Å; N202-H206 PolarHBondContact O-CD2 2.89Å; N202-H206 PolarHBondContact O-N 3.41Å; N202-H206 VanDerWaalsContact O-N 3.07Å
203K93Very high90.8Very high142 Ų14262.1 Ų62.162%0.61734%0.338SS*.Hα-helixtrans-61.3-41173.8-74.6175-175.5174.30111.8N199 A200 F201 H206 N207N199-K203 WeakPolarHBondContact O-CG 3.47Å; N199-K203 PolarHBondContact O-N 3.46Å; A200-K203 PolarHBondContact O-N 3.13Å; F201-K203 VanDerWaalsContact C-N 3.35Å; F201-K203 PolarHBondContact O-N 2.75Å; K203-H206 PolarHBondContact O-N 3.07Å; K203-N207 WeakPolarHBondContact O-CB 3.45Å; K203-N207 VanDerWaalsContact O-CG 3.3Å; K203-N207 PolarHBondContact O-N 3.33Å; K203-N207 VanDerWaalsContact O-N 3.15Å; K203-N207 PolarHBondContact O-ND2 2.81Å
204F90.8Very high90.3Very high53 Ų5365.7 Ų65.723%0.23236%0.357CS..Hα-helixtrans-60.1-47175167.8-97.2000111.3M153 S155 L156 P157 A200 F201 N202 H206 N207 G208M153-F204 HydrophobicContact CE-CE1 3.98Å; S155-F204 WeakPolarHBondContact O-CZ 3.34Å; L156-F204 HydrophobicContact CD1-CD1 3.78Å; L156-F204 HydrophobicContact CD1-CE1 3.89Å; L156-F204 HydrophobicContact CD1-CG 4.19Å; L156-F204 HydrophobicContact CD1-CZ 4.39Å; P157-F204 HydrophobicContact CG-CD2 4.47Å; P157-F204 HydrophobicContact CG-CE2 4.15Å; A200-F204 PolarHBondContact O-N 3.42Å; F201-F204 WeakPolarHBondContact O-CB 3.5Å; F201-F204 PolarHBondContact O-N 3.35Å; F201-F204 VanDerWaalsContact O-N 3.14Å; N202-F204 VanDerWaalsContact C-N 3.31Å; N202-F204 PolarHBondContact O-N 3.44Å; F204-H206 VanDerWaalsContact C-N 3.29Å; F204-H206 PolarHBondContact O-N 2.97Å; F204-N207 PolarHBondContact O-N 3.17Å; F204-G208 PolarHBondContact O-N 2.97Å; F204-G208 VanDerWaalsContact O-N 3.12Å
205L89.5Confident89.8Confident47 Ų4770.3 Ų70.325%0.24638%0.382CS..Hα-helixtrans-64.5-29.1179-64.6-178.6000114.1I115 M153 F201 N202I115-L205 HydrophobicContact CD1-CD2 3.68Å; I115-L205 HydrophobicContact CG1-CD2 3.83Å; I115-L205 HydrophobicContact CG2-CD1 3.73Å; I115-L205 HydrophobicContact CG2-CD2 4.49Å; M153-L205 HydrophobicContact CE-CD2 4.1Å; F201-L205 HydrophobicContact CD1-CD1 3.97Å; F201-L205 HydrophobicContact CD1-CG 4.39Å; F201-L205 HydrophobicContact CE1-CD1 3.56Å; F201-L205 HydrophobicContact CE1-CD2 4.44Å; F201-L205 HydrophobicContact CE1-CG 4.12Å; F201-L205 HydrophobicContact CZ-CD1 4.1Å; F201-L205 HydrophobicContact CZ-CD2 4.14Å; F201-L205 HydrophobicContact CZ-CG 4.28Å; F201-L205 WeakPolarHBondContact O-CG 3.47Å; F201-L205 PolarHBondContact O-N 3.02Å; N202-L205 PolarHBondContact O-N 2.82Å
206H81.6Confident89.2Confident155 Ų15570.5 Ų70.572%0.71839%0.388SS*.Hα-helixtrans-82.8-22.8177.9-72.8-50.3000113.9N202 K203 F204N202-H206 PolarHBondContact O-CD2 2.89Å; N202-H206 PolarHBondContact O-N 3.41Å; N202-H206 VanDerWaalsContact O-N 3.07Å; K203-H206 PolarHBondContact O-N 3.07Å; F204-H206 VanDerWaalsContact C-N 3.29Å; F204-H206 PolarHBondContact O-N 2.97Å
207N74.2Confident88.5Confident143 Ų14369.7 Ų69.777%0.76539%0.39SS*.Hα-helixtrans-101-9.6-176.2-69-18.5000113.8K203 F204K203-N207 WeakPolarHBondContact O-CB 3.45Å; K203-N207 VanDerWaalsContact O-CG 3.3Å; K203-N207 PolarHBondContact O-N 3.33Å; K203-N207 VanDerWaalsContact O-N 3.15Å; K203-N207 PolarHBondContact O-ND2 2.81Å; F204-N207 PolarHBondContact O-N 3.17Å
208G55.6Low87.7Confident115 Ų11576 Ų76100%1.18643%0.426SS*.  trans-91.30174.900000112.7F204F204-G208 PolarHBondContact O-N 2.97Å; F204-G208 VanDerWaalsContact O-N 3.12Å

Retrieved 208 of 208 residues in 74.1 ms (Link to these results)

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