A0A087YD35_POEFO Loading...

Synaptophysin-like 1

AlphaFold DB , UniProt , Accession A0A087YD35, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 239 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
1M42.4Very low68.3Low239 Ų239111.3 Ų111.3100%1.17757%0.573SS**  0123.10-75.7175.5176.500107.2T3M1-T3 PolarHBondContact O-N 3.46Å; M1-T3 VanDerWaalsContact O-N 3.1Å
2M45.7Very low69Low196 Ų196105.7 Ų105.797%0.96654%0.544SS*.  trans-70105.7172.5-73.2-159.9-98.400107.9G4M2-G4 PolarHBondContact O-N 3.02Å
3T60.3Low69.7Low79 Ų79112.1 Ų112.149%0.48557%0.566SS.*  trans-65.988.7165.5380000107.1M1 Y119 H121 V122M1-T3 PolarHBondContact O-N 3.46Å; M1-T3 VanDerWaalsContact O-N 3.1Å; T3-Y119 WeakPolarHBondContact O-CE1 3.25Å; T3-H121 WeakPolarHBondContact CG2-NE2 3.45Å; T3-V122 HydrophobicContact CG2-CG2 3.98Å
4G66.9Low70.6Confident42 Ų42109.4 Ų109.443%0.43355%0.55SS.*  trans-71.1147.4176.600000111.1M2 R6M2-G4 PolarHBondContact O-N 3.02Å; G4-R6 PolarHBondContact O-N 3.27Å
5F73.9Confident71.3Confident102 Ų102106.8 Ų106.845%0.44754%0.544SS..  trans-57120173179.3-105.1000110.2L7 G118 Y119F5-L7 HydrophobicContact CE1-CB 3.76Å; F5-L7 HydrophobicContact CE1-CD1 3.94Å; F5-L7 HydrophobicContact CE1-CG 4.32Å; F5-L7 HydrophobicContact CZ-CB 4.04Å; F5-L7 HydrophobicContact CZ-CD1 3.92Å; F5-L7 HydrophobicContact CZ-CG 4.24Å; F5-G118 VanDerWaalsContact CE2-CA 3.4Å; F5-Y119 HydrophobicContact CD2-CD2 4.43Å; F5-Y119 AromaticContact CD2-CE2 3.86Å; F5-Y119 HydrophobicContact CD2-CE2 3.86Å
6R74.4Confident71.8Confident202 Ų202100.6 Ų100.676%0.76251%0.513SS*.  trans-122.699.8174.9-71.3-170.5174.1-169.7-0.8109.3G4 N8 G118G4-R6 PolarHBondContact O-N 3.27Å; R6-N8 PolarHBondContact O-N 2.61Å; R6-N8 VanDerWaalsContact O-N 3.14Å; R6-G118 PolarHBondContact N-O 3.26Å
7L76.5Confident72.5Confident110 Ų11094.8 Ų94.858%0.57648%0.484SS*.  trans-66.8112-179.1-164.5147000110.1F5 L9 L117F5-L7 HydrophobicContact CE1-CB 3.76Å; F5-L7 HydrophobicContact CE1-CD1 3.94Å; F5-L7 HydrophobicContact CE1-CG 4.32Å; F5-L7 HydrophobicContact CZ-CB 4.04Å; F5-L7 HydrophobicContact CZ-CD1 3.92Å; F5-L7 HydrophobicContact CZ-CG 4.24Å; L7-L9 HydrophobicContact CD2-CD1 4.41Å; L7-L9 HydrophobicContact CD2-CD2 3.95Å; L7-L9 HydrophobicContact CD2-CG 3.82Å; L7-L117 WeakPolarHBondContact CA-O 3.38Å
8N77.5Confident73.4Confident86 Ų8696.1 Ų96.146%0.4649%0.485SS..  trans-122.8120.1173.7-171-15.4000108.3R6 S10 P11 L117R6-N8 PolarHBondContact O-N 2.61Å; R6-N8 VanDerWaalsContact O-N 3.14Å; N8-S10 VanDerWaalsContact C-N 3.34Å; N8-S10 WeakPolarHBondContact OD1-CB 3.04Å; N8-S10 PolarHBondContact OD1-N 3.31Å; N8-S10 PolarHBondContact OD1-OG 3.24Å; N8-P11 WeakPolarHBondContact O-CD 3.34Å; N8-L117 PolarHBondContact N-O 2.75Å; N8-L117 VanDerWaalsContact O-CD2 3.25Å; N8-L117 WeakPolarHBondContact O-CD2 3.49Å
9L77.9Confident74.3Confident99 Ų9992.2 Ų92.252%0.51847%0.467SS..  trans-86.2-5.4-180-63.8167.5000112.7L7 P11 L12 L117L7-L9 HydrophobicContact CD2-CD1 4.41Å; L7-L9 HydrophobicContact CD2-CD2 3.95Å; L7-L9 HydrophobicContact CD2-CG 3.82Å; L9-P11 VanDerWaalsContact C-N 3.3Å; L9-L12 HydrophobicContact CB-CD1 4.44Å; L9-L12 HydrophobicContact CD2-CD1 3.52Å; L9-L12 WeakPolarHBondContact O-CB 3.5Å; L9-L12 PolarHBondContact O-N 3.01Å; L9-L117 HydrophobicContact CD2-CD2 4.16Å
10S78.2Confident75.1Confident61 Ų6187.6 Ų87.643%0.42744%0.444SS..Hα-helixtrans-53.7-38.8176-64.60000113.7N8 L12 K13N8-S10 VanDerWaalsContact C-N 3.34Å; N8-S10 WeakPolarHBondContact OD1-CB 3.04Å; N8-S10 PolarHBondContact OD1-N 3.31Å; N8-S10 PolarHBondContact OD1-OG 3.24Å; S10-L12 PolarHBondContact O-N 2.87Å; S10-K13 WeakPolarHBondContact O-CB 3.45Å; S10-K13 PolarHBondContact O-N 2.82Å
11P77.3Confident75.9Confident8 Ų885.8 Ų85.85%0.05244%0.435CS..Hα-helixtrans-63.9-21.4176.2-25.339.1000114.7N8 L9 K13 E14 G17 Y116 M120N8-P11 WeakPolarHBondContact O-CD 3.34Å; L9-P11 VanDerWaalsContact C-N 3.3Å; P11-K13 PolarHBondContact O-N 3.44Å; P11-E14 WeakPolarHBondContact O-CB 3.22Å; P11-E14 PolarHBondContact O-N 3.37Å; P11-G17 WeakPolarHBondContact O-CA 3.28Å; P11-G17 PolarHBondContact O-N 3.06Å; P11-Y116 WeakPolarHBondContact CB-O 3.17Å; P11-Y116 VanDerWaalsContact CG-O 3.27Å; P11-Y116 WeakPolarHBondContact CG-O 3.09Å; P11-M120 HydrophobicContact CB-CE 4.3Å; P11-M120 HydrophobicContact CB-CG 4.4Å; P11-M120 HydrophobicContact CG-CE 4.31Å; P11-M120 HydrophobicContact CG-CG 3.83Å
12L77Confident78.3Confident44 Ų4476.4 Ų76.423%0.2339%0.391CS..Hα-helixtrans-71.5-20.7171.7-78.2162.1000112.9L9 S10 E14 L21 L113 L117L9-L12 HydrophobicContact CB-CD1 4.44Å; L9-L12 HydrophobicContact CD2-CD1 3.52Å; L9-L12 WeakPolarHBondContact O-CB 3.5Å; L9-L12 PolarHBondContact O-N 3.01Å; S10-L12 PolarHBondContact O-N 2.87Å; L12-E14 VanDerWaalsContact C-N 3.33Å; L12-L21 HydrophobicContact CD2-CB 4.28Å; L12-L21 HydrophobicContact CD2-CD2 4.14Å; L12-L113 HydrophobicContact CD2-CD1 3.95Å; L12-L117 HydrophobicContact CD1-CD1 4.49Å; L12-L117 HydrophobicContact CD1-CD2 3.8Å; L12-L117 HydrophobicContact CG-CD2 3.85Å
13K77.6Confident80.6Confident189 Ų18967.1 Ų67.182%0.82235%0.345SS*.Hα-helixtrans-84.6-14.6172.7-57.7179.7-179.6177.30111.6S10 P11S10-K13 WeakPolarHBondContact O-CB 3.45Å; S10-K13 PolarHBondContact O-N 2.82Å; P11-K13 PolarHBondContact O-N 3.44Å
14E83.1Confident82.2Confident74 Ų7466.8 Ų66.835%0.34634%0.335SS..SBendtrans-83.8148.6173.2-65.8178.6-172.300109.9P11 L12 L16 G17 F18P11-E14 WeakPolarHBondContact O-CB 3.22Å; P11-E14 PolarHBondContact O-N 3.37Å; L12-E14 VanDerWaalsContact C-N 3.33Å; E14-L16 PolarHBondContact O-N 2.91Å; E14-L16 VanDerWaalsContact O-N 3.17Å; E14-G17 PolarHBondContact O-N 3.05Å; E14-F18 WeakPolarHBondContact O-CB 3.03Å; E14-F18 PolarHBondContact O-N 3.04Å; E14-F18 VanDerWaalsContact O-N 3.08Å
15P80.5Confident83.4Confident71 Ų7168.3 Ų68.346%0.46133%0.333SS..Hα-helixtrans-58.5-32.2-178.422.5-33000112.4V19 F212P15-V19 VanDerWaalsContact O-CB 3.3Å; P15-V19 WeakPolarHBondContact O-CB 3.14Å; P15-V19 WeakPolarHBondContact O-CG2 3.4Å; P15-V19 PolarHBondContact O-N 3.16Å; P15-F212 HydrophobicContact CB-CD1 4.13Å; P15-F212 HydrophobicContact CB-CE1 3.88Å; P15-F212 HydrophobicContact CB-CZ 4.13Å; P15-F212 HydrophobicContact CG-CD1 4.23Å; P15-F212 HydrophobicContact CG-CE1 4.13Å
16L80.3Confident84.3Confident8 Ų864 Ų644%0.04232%0.315CS..Hα-helixtrans-63.5-48.5-179.2-16872.7000112.6E14 K20 Y116 Y123 F212 V213 E216E14-L16 PolarHBondContact O-N 2.91Å; E14-L16 VanDerWaalsContact O-N 3.17Å; L16-K20 PolarHBondContact O-N 3.43Å; L16-Y116 HydrophobicContact CD1-CE2 4.49Å; L16-Y116 HydrophobicContact CD2-CE1 4.34Å; L16-Y116 HydrophobicContact CD2-CE2 3.99Å; L16-Y116 HydrophobicContact CG-CD2 4.42Å; L16-Y116 HydrophobicContact CG-CE2 3.69Å; L16-Y123 HydrophobicContact CD2-CE1 4.23Å; L16-F212 HydrophobicContact CD1-CB 4.32Å; L16-V213 HydrophobicContact CD1-CB 4.5Å; L16-V213 HydrophobicContact CD1-CG2 3.73Å; L16-E216 HydrophobicContact CD2-CG 4.44Å
17G83.6Confident85.2Confident2 Ų254.4 Ų54.42%0.02128%0.279CS..Hα-helixtrans-77.1-37179.700000113P11 E14 K20 L21P11-G17 WeakPolarHBondContact O-CA 3.28Å; P11-G17 PolarHBondContact O-N 3.06Å; E14-G17 PolarHBondContact O-N 3.05Å; G17-K20 PolarHBondContact O-N 3.39Å; G17-L21 PolarHBondContact O-N 2.02Å
18F88.5Confident86Confident117 Ų11752.1 Ų52.151%0.51327%0.267SS..Hα-helixtrans-60.9-46.8176.2-179.3-104.7000111.8E14 K20 L21 V22E14-F18 WeakPolarHBondContact O-CB 3.03Å; E14-F18 PolarHBondContact O-N 3.04Å; E14-F18 VanDerWaalsContact O-N 3.08Å; F18-K20 PolarHBondContact O-N 3.07Å; F18-L21 WeakPolarHBondContact O-CB 2.93Å; F18-L21 PolarHBondContact O-N 3.05Å; F18-L21 VanDerWaalsContact O-N 3.15Å; F18-V22 HydrophobicContact CD1-CG2 4.22Å; F18-V22 HydrophobicContact CE1-CG2 3.79Å; F18-V22 HydrophobicContact CE2-CG2 4.33Å; F18-V22 HydrophobicContact CZ-CG2 3.85Å; F18-V22 WeakPolarHBondContact O-CG2 3.41Å; F18-V22 PolarHBondContact O-N 2.9Å
19V90.7Very high86.7Confident22 Ų2253.2 Ų53.213%0.13327%0.268CS..Hα-helixtrans-62.7-41.5-179.5172.30000111.4P15 L21 V22 E23 I205 N209 F212P15-V19 VanDerWaalsContact O-CB 3.3Å; P15-V19 WeakPolarHBondContact O-CB 3.14Å; P15-V19 WeakPolarHBondContact O-CG2 3.4Å; P15-V19 PolarHBondContact O-N 3.16Å; V19-L21 VanDerWaalsContact C-N 3.29Å; V19-L21 PolarHBondContact O-N 3.17Å; V19-V22 PolarHBondContact O-N 3.23Å; V19-V22 VanDerWaalsContact O-N 3.14Å; V19-E23 HydrophobicContact CG1-CG 4.45Å; V19-E23 WeakPolarHBondContact O-CG 3.49Å; V19-E23 PolarHBondContact O-N 3.01Å; V19-I205 HydrophobicContact CG1-CG2 3.71Å; V19-N209 HydrophobicContact CG1-CB 3.51Å; V19-F212 HydrophobicContact CG2-CD2 4.49Å
20K90.5Very high87.4Confident0 Ų048.5 Ų48.50%024%0.243CC..Hα-helixtrans-59.4-38.2174.4-72.6-61-178.8-1590112.8L16 G17 F18 E23 W24 A112 L113 Y116 D133 T137 N209L16-K20 PolarHBondContact O-N 3.43Å; G17-K20 PolarHBondContact O-N 3.39Å; F18-K20 PolarHBondContact O-N 3.07Å; K20-E23 VanDerWaalsContact CD-OE2 3.26Å; K20-E23 WeakPolarHBondContact CD-OE2 3.44Å; K20-E23 IonicContact NZ-OE2 3.53Å; K20-W24 WeakPolarHBondContact O-CB 3.36Å; K20-W24 PolarHBondContact O-N 2Å; K20-W24 VanDerWaalsContact O-N 3.07Å; K20-A112 HydrophobicContact CD-CB 4.15Å; K20-L113 HydrophobicContact CB-CD1 4.4Å; K20-Y116 HydrophobicContact CD-CE2 4.38Å; K20-Y116 HydrophobicContact CG-CD2 4Å; K20-Y116 HydrophobicContact CG-CE2 3.46Å; K20-Y116 VanDerWaalsContact CG-CE2 3.46Å; K20-D133 IonicContact NZ-OD1 3.57Å; K20-T137 PolarHBondContact NZ-OG1 2.87Å; K20-T137 VanDerWaalsContact NZ-OG1 3.16Å; K20-N209 VanDerWaalsContact CD-ND2 3.25Å; K20-N209 WeakPolarHBondContact CD-ND2 3.34Å; K20-N209 WeakPolarHBondContact CE-ND2 3.48Å; K20-N209 PolarHBondContact NZ-ND2 2.92Å
21L91.3Very high88.1Confident51 Ų5147.4 Ų47.427%0.26723%0.231SC..Hα-helixtrans-65.4-42.2175.8-178.269.7000111.3L12 G17 F18 V19 W24 L25 L113L12-L21 HydrophobicContact CD2-CB 4.28Å; L12-L21 HydrophobicContact CD2-CD2 4.14Å; G17-L21 PolarHBondContact O-N 2.02Å; F18-L21 WeakPolarHBondContact O-CB 2.93Å; F18-L21 PolarHBondContact O-N 3.05Å; F18-L21 VanDerWaalsContact O-N 3.15Å; V19-L21 VanDerWaalsContact C-N 3.29Å; V19-L21 PolarHBondContact O-N 3.17Å; L21-W24 HydrophobicContact CD1-CE3 3.83Å; L21-W24 HydrophobicContact CD1-CZ3 4.18Å; L21-W24 WeakPolarHBondContact O-CB 3.25Å; L21-W24 PolarHBondContact O-N 2.83Å; L21-L25 WeakPolarHBondContact O-CG 3.43Å; L21-L25 PolarHBondContact O-N 2.96Å; L21-L25 VanDerWaalsContact O-N 3.14Å; L21-L113 HydrophobicContact CD1-CD2 4.02Å
22V92.9Very high88.8Confident42 Ų4248.7 Ų48.726%0.25525%0.245SC..Hα-helixtrans-63.9-48177.2-177.40000110.3F18 V19 W24 L25 T26 I205F18-V22 HydrophobicContact CD1-CG2 4.22Å; F18-V22 HydrophobicContact CE1-CG2 3.79Å; F18-V22 HydrophobicContact CE2-CG2 4.33Å; F18-V22 HydrophobicContact CZ-CG2 3.85Å; F18-V22 WeakPolarHBondContact O-CG2 3.41Å; F18-V22 PolarHBondContact O-N 2.9Å; V19-V22 PolarHBondContact O-N 3.23Å; V19-V22 VanDerWaalsContact O-N 3.14Å; V22-W24 PolarHBondContact O-N 3.18Å; V22-L25 PolarHBondContact O-N 3.37Å; V22-L25 VanDerWaalsContact O-N 3.12Å; V22-T26 HydrophobicContact CG1-CG2 4.09Å; V22-T26 PolarHBondContact O-N 3.41Å; V22-T26 PolarHBondContact O-OG1 2.78Å; V22-I205 HydrophobicContact CG1-CD1 3.64Å; V22-I205 HydrophobicContact CG1-CG1 4.5Å
23E93.2Very high89.5Confident0 Ų047.5 Ų47.50%024%0.241CC..Hα-helixtrans-53.2-42.8176-71.7175.4170.300112.4V19 K20 T26 A27 S109 N202 I205 W206 N209V19-E23 HydrophobicContact CG1-CG 4.45Å; V19-E23 WeakPolarHBondContact O-CG 3.49Å; V19-E23 PolarHBondContact O-N 3.01Å; K20-E23 VanDerWaalsContact CD-OE2 3.26Å; K20-E23 WeakPolarHBondContact CD-OE2 3.44Å; K20-E23 IonicContact NZ-OE2 3.53Å; E23-T26 WeakPolarHBondContact CA-OG1 3.2Å; E23-T26 PolarHBondContact O-OG1 2.91Å; E23-A27 WeakPolarHBondContact O-CB 3.43Å; E23-A27 PolarHBondContact O-N 2.89Å; E23-S109 PolarHBondContact OE2-OG 3.35Å; E23-N202 PolarHBondContact O-OD1 3.11Å; E23-I205 HydrophobicContact CB-CG2 4.45Å; E23-I205 HydrophobicContact CG-CB 4.24Å; E23-I205 HydrophobicContact CG-CG2 3.34Å; E23-W206 HydrophobicContact CG-CG 4.48Å; E23-W206 WeakPolarHBondContact OE1-CA 3.2Å; E23-N209 WeakPolarHBondContact OE1-CB 3.38Å; E23-N209 PolarHBondContact OE1-ND2 3.22Å; E23-N209 PolarHBondContact OE2-ND2 3Å; E23-N209 VanDerWaalsContact OE2-ND2 3.08Å
24W93.4Very high90.2Very high72 Ų7238.5 Ų38.527%0.27320%0.202SC..Hα-helixtrans-62.9-45.7179.9-179.260.6000111.6K20 L21 V22 I28 F106K20-W24 WeakPolarHBondContact O-CB 3.36Å; K20-W24 PolarHBondContact O-N 2Å; K20-W24 VanDerWaalsContact O-N 3.07Å; L21-W24 HydrophobicContact CD1-CE3 3.83Å; L21-W24 HydrophobicContact CD1-CZ3 4.18Å; L21-W24 WeakPolarHBondContact O-CB 3.25Å; L21-W24 PolarHBondContact O-N 2.83Å; V22-W24 PolarHBondContact O-N 3.18Å; W24-I28 WeakPolarHBondContact O-CG1 3.35Å; W24-I28 PolarHBondContact O-N 3.15Å; W24-F106 AromaticContact CD1-CD2 3.37Å; W24-F106 AromaticContact CD1-CE2 3.56Å; W24-F106 AromaticContact CE2-CE2 3.67Å; W24-F106 HydrophobicContact CG-CD2 4.43Å; W24-F106 HydrophobicContact CZ2-CE2 4.16Å; W24-F106 HydrophobicContact CZ2-CZ 4.49Å; W24-F106 AromaticContact NE1-CD2 3.25Å; W24-F106 AromaticContact NE1-CE2 2.89Å; W24-F106 AromaticContact NE1-CZ 3.5Å
25L93.4Very high90.5Very high74 Ų7436.4 Ų36.439%0.38720%0.2SC..Hα-helixtrans-69.2-44.4178.1-67.2176.1000112.1L21 V22 A27 I28 F29L21-L25 WeakPolarHBondContact O-CG 3.43Å; L21-L25 PolarHBondContact O-N 2.96Å; L21-L25 VanDerWaalsContact O-N 3.14Å; V22-L25 PolarHBondContact O-N 3.37Å; V22-L25 VanDerWaalsContact O-N 3.12Å; L25-A27 VanDerWaalsContact C-N 3.31Å; L25-A27 PolarHBondContact O-N 2.89Å; L25-I28 HydrophobicContact CD2-CD1 4.49Å; L25-I28 WeakPolarHBondContact O-CB 3.5Å; L25-I28 PolarHBondContact O-N 2.8Å; L25-F29 WeakPolarHBondContact O-CD2 3.31Å; L25-F29 PolarHBondContact O-N 3.26Å
26T92.4Very high90.9Very high11 Ų1136.3 Ų36.37%0.06721%0.211CC..Hα-helixtrans-68.7-31.1-178.6470000112.2V22 E23 F29 A30 F198 L201 N202 I205V22-T26 HydrophobicContact CG1-CG2 4.09Å; V22-T26 PolarHBondContact O-N 3.41Å; V22-T26 PolarHBondContact O-OG1 2.78Å; E23-T26 WeakPolarHBondContact CA-OG1 3.2Å; E23-T26 PolarHBondContact O-OG1 2.91Å; T26-F29 PolarHBondContact O-N 2.76Å; T26-A30 WeakPolarHBondContact O-CB 3.48Å; T26-A30 PolarHBondContact O-N 3.31Å; T26-F198 HydrophobicContact CG2-CD1 4.29Å; T26-F198 HydrophobicContact CG2-CE1 4.43Å; T26-L201 HydrophobicContact CG2-CD2 3.44Å; T26-L201 VanDerWaalsContact CG2-CD2 3.44Å; T26-N202 PolarHBondContact OG1-OD1 3.23Å; T26-I205 HydrophobicContact CG2-CD1 3.89Å
27A93Very high91.5Very high1 Ų136.5 Ų36.51%0.00821%0.212CC..Hα-helixtrans-59.9-45.9170.400000111.8E23 L25 F29 A30 F31 F106 W144E23-A27 WeakPolarHBondContact O-CB 3.43Å; E23-A27 PolarHBondContact O-N 2.89Å; L25-A27 VanDerWaalsContact C-N 3.31Å; L25-A27 PolarHBondContact O-N 2.89Å; A27-F29 PolarHBondContact O-N 3.1Å; A27-A30 WeakPolarHBondContact O-CB 3.43Å; A27-A30 PolarHBondContact O-N 3.2Å; A27-A30 VanDerWaalsContact O-N 3.17Å; A27-F31 WeakPolarHBondContact O-CD1 3.5Å; A27-F31 WeakPolarHBondContact O-CE1 3.42Å; A27-F31 PolarHBondContact O-N 2.84Å; A27-F106 HydrophobicContact CB-CB 4.35Å; A27-W144 HydrophobicContact CB-CH2 4.14Å
28I93.8Very high91.7Very high62 Ų6240.8 Ų40.832%0.31824%0.241SC..Hα-helixtrans-57.7-48.1177.9-62.2162.5000110.8W24 L25 A30 F31 G32 F106W24-I28 WeakPolarHBondContact O-CG1 3.35Å; W24-I28 PolarHBondContact O-N 3.15Å; L25-I28 HydrophobicContact CD2-CD1 4.49Å; L25-I28 WeakPolarHBondContact O-CB 3.5Å; L25-I28 PolarHBondContact O-N 2.8Å; I28-A30 VanDerWaalsContact C-N 3.3Å; I28-A30 PolarHBondContact O-N 2.98Å; I28-F31 HydrophobicContact CB-CE1 4.5Å; I28-F31 HydrophobicContact CG1-CE1 4.35Å; I28-F31 HydrophobicContact CG1-CZ 4.39Å; I28-G32 VanDerWaalsContact O-CA 3.28Å; I28-G32 WeakPolarHBondContact O-CA 3.25Å; I28-G32 PolarHBondContact O-N 3.38Å; I28-F106 HydrophobicContact CD1-CD2 4.24Å; I28-F106 HydrophobicContact CD1-CE2 3.84Å; I28-F106 HydrophobicContact CG1-CD2 3.68Å; I28-F106 HydrophobicContact CG1-CE2 3.69Å
29F92.8Very high91.7Very high109 Ų10935.5 Ų35.548%0.47822%0.22SC..Hα-helixtrans-64.2-37.2179.1-70.2-65.7000112.1L25 T26 A27 S33 F198L25-F29 WeakPolarHBondContact O-CD2 3.31Å; L25-F29 PolarHBondContact O-N 3.26Å; T26-F29 PolarHBondContact O-N 2.76Å; A27-F29 PolarHBondContact O-N 3.1Å; F29-S33 WeakPolarHBondContact O-CB 3.22Å; F29-S33 PolarHBondContact O-N 3.25Å; F29-S33 PolarHBondContact O-OG 3.24Å; F29-F198 HydrophobicContact CB-CB 4.46Å; F29-F198 HydrophobicContact CB-CD1 3.66Å; F29-F198 HydrophobicContact CB-CD2 4.26Å; F29-F198 HydrophobicContact CB-CE1 3.85Å; F29-F198 HydrophobicContact CB-CE2 4.42Å; F29-F198 HydrophobicContact CB-CG 3.87Å; F29-F198 HydrophobicContact CB-CZ 4.22Å; F29-F198 HydrophobicContact CD2-CE1 4.04Å; F29-F198 HydrophobicContact CG-CD1 4.39Å; F29-F198 HydrophobicContact CG-CE1 4.1Å; F29-F198 HydrophobicContact CG-CZ 4.34Å
30A92.5Very high91.6Very high0 Ų037.6 Ų37.60%023%0.233CC..Hα-helixtrans-65-65.1177.100000112.1T26 A27 I28 C34 F98 W144 S195 F198T26-A30 WeakPolarHBondContact O-CB 3.48Å; T26-A30 PolarHBondContact O-N 3.31Å; A27-A30 WeakPolarHBondContact O-CB 3.43Å; A27-A30 PolarHBondContact O-N 3.2Å; A27-A30 VanDerWaalsContact O-N 3.17Å; I28-A30 VanDerWaalsContact C-N 3.3Å; I28-A30 PolarHBondContact O-N 2.98Å; A30-C34 PolarHBondContact O-N 3.23Å; A30-F98 HydrophobicContact CB-CE1 4.48Å; A30-F98 HydrophobicContact CB-CZ 3.91Å; A30-W144 HydrophobicContact CB-CH2 4.27Å; A30-W144 HydrophobicContact CB-CZ2 3.9Å; A30-S195 WeakPolarHBondContact O-CB 3.43Å; A30-F198 HydrophobicContact CB-CB 4.03Å
31F92.4Very high91.4Very high39 Ų3937.6 Ų37.617%0.17123%0.233CC..Hα-helixtrans-73.1-32.2-174.675.9-106.8000112.3A27 I28 C34 G35 V99 V103 F106A27-F31 WeakPolarHBondContact O-CD1 3.5Å; A27-F31 WeakPolarHBondContact O-CE1 3.42Å; A27-F31 PolarHBondContact O-N 2.84Å; I28-F31 HydrophobicContact CB-CE1 4.5Å; I28-F31 HydrophobicContact CG1-CE1 4.35Å; I28-F31 HydrophobicContact CG1-CZ 4.39Å; F31-C34 PolarHBondContact O-N 3.02Å; F31-G35 PolarHBondContact O-N 3.28Å; F31-V99 HydrophobicContact CB-CG1 4.41Å; F31-V99 HydrophobicContact CB-CG2 4.41Å; F31-V103 HydrophobicContact CD2-CG2 4.43Å; F31-F106 HydrophobicContact CE1-CB 3.94Å; F31-F106 HydrophobicContact CE1-CD2 4.28Å; F31-F106 HydrophobicContact CE1-CG 4.18Å
32G92.3Very high91.3Very high35 Ų3536.7 Ų36.736%0.36123%0.229SC..Hα-helixtrans-66.9-37.7179.500000112.4I28 C34 G36I28-G32 VanDerWaalsContact O-CA 3.28Å; I28-G32 WeakPolarHBondContact O-CA 3.25Å; I28-G32 PolarHBondContact O-N 3.38Å; G32-C34 VanDerWaalsContact C-N 3.35Å; G32-G36 PolarHBondContact O-N 3.47Å
33S91.6Very high90.9Very high19 Ų1934.8 Ų34.813%0.13322%0.218CC..Hα-helixtrans-71.1-29.2177.1-60.20000112.7F29 T191F29-S33 WeakPolarHBondContact O-CB 3.22Å; F29-S33 PolarHBondContact O-N 3.25Å; F29-S33 PolarHBondContact O-OG 3.24Å; S33-T191 WeakPolarHBondContact CB-O 3.43Å; S33-T191 WeakPolarHBondContact O-CG2 3.38Å
34C91.3Very high90.6Very high0 Ų035.4 Ų35.40%022%0.222CC..Hα-helixtrans-81.6-51.9174.9-179.20000111.8A30 F31 G32 G36 F37 F98 V99 W151A30-C34 PolarHBondContact O-N 3.23Å; F31-C34 PolarHBondContact O-N 3.02Å; G32-C34 VanDerWaalsContact C-N 3.35Å; C34-G36 PolarHBondContact O-N 3.23Å; C34-F37 WeakPolarHBondContact O-CB 3.33Å; C34-F37 PolarHBondContact O-N 3.45Å; C34-F98 HydrophobicContact CB-CD1 4.02Å; C34-F98 HydrophobicContact CB-CE1 3.98Å; C34-V99 HydrophobicContact CB-CG2 4.1Å; C34-W151 VanDerWaalsContact SG-CE2 3.58Å; C34-W151 VanDerWaalsContact SG-CZ2 3.59Å
35G90.6Very high90.2Very high30 Ų3032 Ų3231%0.30921%0.21SC..Hα-helixtrans-71.9-24.7-17400000114.7F31F31-G35 PolarHBondContact O-N 3.28Å
36G89.1Confident89.8Confident68 Ų6831.8 Ų31.870%0.70121%0.206SC*.THydrogen-bonded Turntrans-90.95.7177.500000114.7G32 C34G32-G36 PolarHBondContact O-N 3.47Å; C34-G36 PolarHBondContact O-N 3.23Å
37F91.8Very high89.4Confident13 Ų1331.9 Ų31.96%0.05721%0.206CC..  trans-81.2133.3-172.1-176.5-90.9000113.2C34 F59 H60 Y61 F63 N188 L192C34-F37 WeakPolarHBondContact O-CB 3.33Å; C34-F37 PolarHBondContact O-N 3.45Å; F37-F59 AromaticContact CE1-CD2 3.96Å; F37-F59 HydrophobicContact CE1-CD2 3.96Å; F37-F59 AromaticContact CE1-CE2 3.58Å; F37-F59 HydrophobicContact CE1-CE2 3.58Å; F37-F59 HydrophobicContact CE1-CZ 4.5Å; F37-F59 HydrophobicContact CZ-CE2 4.15Å; F37-H60 WeakPolarHBondContact O-CA 3.44Å; F37-Y61 PolarHBondContact O-N 3.49Å; F37-Y61 VanDerWaalsContact O-N 3.11Å; F37-F63 HydrophobicContact CB-CZ 4.27Å; F37-F63 AromaticContact CD1-CE1 3.65Å; F37-F63 HydrophobicContact CD1-CE1 3.65Å; F37-F63 AromaticContact CD1-CZ 3.95Å; F37-F63 HydrophobicContact CD1-CZ 3.95Å; F37-F63 HydrophobicContact CE1-CE1 4.16Å; F37-F63 HydrophobicContact CG-CZ 4.41Å; F37-N188 WeakPolarHBondContact CE2-O 3.35Å; F37-L192 HydrophobicContact CB-CD2 3.59Å; F37-L192 HydrophobicContact CB-CG 4.47Å; F37-L192 HydrophobicContact CD1-CD1 3.93Å; F37-L192 HydrophobicContact CD1-CD2 3.92Å; F37-L192 HydrophobicContact CD1-CG 4.14Å; F37-L192 HydrophobicContact CD2-CD1 4.2Å; F37-L192 HydrophobicContact CD2-CD2 3.69Å; F37-L192 HydrophobicContact CD2-CG 3.64Å; F37-L192 HydrophobicContact CE1-CD1 3.78Å; F37-L192 HydrophobicContact CE1-CG 4.29Å; F37-L192 HydrophobicContact CE2-CD1 4.03Å; F37-L192 HydrophobicContact CE2-CD2 4.34Å; F37-L192 HydrophobicContact CE2-CG 3.79Å; F37-L192 HydrophobicContact CG-CD1 4.14Å; F37-L192 HydrophobicContact CG-CD2 3.44Å; F37-L192 VanDerWaalsContact CG-CD2 3.44Å; F37-L192 HydrophobicContact CG-CG 3.81Å; F37-L192 HydrophobicContact CZ-CD1 3.81Å; F37-L192 HydrophobicContact CZ-CG 4.11Å
38S89.1Confident88.3Confident91 Ų9135.2 Ų35.264%0.63624%0.241SC*.EExtended strand (participates in β ladder)trans-139.7134.7164.9-175.90000108.6
39G87.4Confident87.1Confident7 Ų736 Ų367%0.07227%0.265CS..EExtended strand (participates in β ladder)trans-145.4150.4-177.100000111.7S58 F59G39-S58 CarbonylContact O-C 3.57Å; G39-S58 WeakPolarHBondContact O-CA 3.37Å; G39-F59 PolarHBondContact N-O 3.17Å; G39-F59 PolarHBondContact O-N 3.46Å
40T88.3Confident85.9Confident65 Ų6532.7 Ų32.740%0.39926%0.261SS..EExtended strand (participates in β ladder)trans-128.8127.3176.9-54.10000109.1N56 A57 A187T40-N56 HydrophobicContact CG2-CB 4.03Å; T40-A57 CarbonylContact C-O 3.59Å; T40-A57 WeakPolarHBondContact CA-O 3.29Å; T40-A187 PolarHBondContact O-N 3.32Å
41N87.4Confident85.1Confident1 Ų140.2 Ų40.21%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-95.6146.5167.9-69.36.1000109.4A57 F59 T162 V183 D185 A187N41-A57 HydrophobicContact CB-CB 4.25Å; N41-A57 PolarHBondContact N-O 3.15Å; N41-A57 PolarHBondContact O-N 2.98Å; N41-F59 WeakPolarHBondContact OD1-CE1 3.15Å; N41-T162 WeakPolarHBondContact ND2-CB 3.47Å; N41-T162 PolarHBondContact ND2-O 3.44Å; N41-V183 HydrophobicContact CB-CG1 4.13Å; N41-D185 CarbonylContact C-O 3.57Å; N41-D185 VanDerWaalsContact CA-O 3.29Å; N41-D185 WeakPolarHBondContact CA-O 3.45Å; N41-A187 WeakPolarHBondContact OD1-CB 3.4Å; N41-A187 PolarHBondContact OD1-N 2.86Å
42V87.8Confident84.6Confident31 Ų3142.7 Ų42.719%0.18831%0.313CS..EExtended strand (participates in β ladder)trans-107.4118.6172.3-175.80000108.4T54 L55 V183 T184 D185V42-T54 HydrophobicContact CG1-CG2 4.31Å; V42-L55 WeakPolarHBondContact CA-O 3.21Å; V42-V183 CarbonylContact O-C 3.54Å; V42-V183 WeakPolarHBondContact O-CA 3.49Å; V42-T184 PolarHBondContact O-N 3.2Å; V42-T184 PolarHBondContact O-OG1 2.93Å; V42-D185 HydrophobicContact CB-CB 3.8Å; V42-D185 HydrophobicContact CG2-CB 3.85Å; V42-D185 PolarHBondContact N-O 3.17Å; V42-D185 PolarHBondContact O-N 3.08Å
43V85.9Confident84.1Confident2 Ų245.6 Ų45.61%0.01232%0.318CS..EExtended strand (participates in β ladder)trans-101.3117.5178.1-171.80000108L45 T54 L55 A57 I167 E182 V183V43-L45 HydrophobicContact CG1-CD2 4.4Å; V43-T54 CarbonylContact O-C 3.18Å; V43-T54 VanDerWaalsContact O-CA 3.3Å; V43-T54 WeakPolarHBondContact O-CA 3.35Å; V43-L55 HydrophobicContact CB-CB 4.28Å; V43-L55 PolarHBondContact N-O 2.99Å; V43-L55 PolarHBondContact O-N 3.04Å; V43-A57 HydrophobicContact CG2-CB 4.45Å; V43-I167 HydrophobicContact CG1-CG2 3.79Å; V43-I167 HydrophobicContact CG2-CD1 3.78Å; V43-I167 HydrophobicContact CG2-CG2 4.13Å; V43-E182 CarbonylContact C-O 3.6Å; V43-V183 HydrophobicContact CG2-CG2 4.47Å
44S86.1Confident83.7Confident13 Ų1348.8 Ų48.89%0.09134%0.336CS..EExtended strand (participates in β ladder)trans-95.3134.4174.1-61.40000110.5C181 E182 T184S44-C181 WeakPolarHBondContact O-CA 3.43Å; S44-E182 PolarHBondContact N-O 3.18Å; S44-E182 PolarHBondContact O-N 3.43Å; S44-T184 VanDerWaalsContact CB-CG2 3.5Å; S44-T184 WeakPolarHBondContact OG-CG2 3.44Å; S44-T184 PolarHBondContact OG-OG1 3.26Å
45L85.8Confident83.3Confident2 Ų250 Ų501%0.0134%0.343CS..EExtended strand (participates in β ladder)trans-110.7115.3178.6-57.7174.1000108.2V43 N52 E53 L55 I77 L171 V179 C181V43-L45 HydrophobicContact CG1-CD2 4.4Å; L45-N52 VanDerWaalsContact O-CA 3.31Å; L45-N52 WeakPolarHBondContact O-CA 3.25Å; L45-E53 PolarHBondContact N-O 3.43Å; L45-E53 PolarHBondContact O-N 2.82Å; L45-E53 VanDerWaalsContact O-N 3.15Å; L45-L55 HydrophobicContact CD1-CD1 3.76Å; L45-L55 HydrophobicContact CD1-CG 4.08Å; L45-I77 HydrophobicContact CD1-CG2 3.28Å; L45-L171 HydrophobicContact CD2-CD2 4.19Å; L45-V179 HydrophobicContact CB-CG1 4.42Å; L45-C181 HydrophobicContact CD2-CB 3.85Å; L45-C181 WeakPolarHBondContact CD2-SG 3.36Å
46F84.3Confident83Confident69 Ų6953.6 Ų53.630%0.30336%0.355SS..EExtended strand (participates in β ladder)trans-96.999.3178.8-62-80.9000109.2N52 V179 T180 E182F46-N52 WeakPolarHBondContact CD1-ND2 3.45Å; F46-V179 WeakPolarHBondContact O-CA 3.34Å; F46-T180 WeakPolarHBondContact CB-OG1 3.47Å; F46-T180 PolarHBondContact N-O 3.24Å; F46-T180 PolarHBondContact O-N 3.26Å; F46-E182 HydrophobicContact CE2-CB 4.06Å
47C83.3Confident82.7Confident12 Ų1250.4 Ų50.48%0.08132%0.322CS..EExtended strand (participates in β ladder)trans-84.1116.9179.7-39.10000109.5G49 G50 M51 C78C47-G49 PolarHBondContact O-N 3.31Å; C47-G50 PolarHBondContact O-N 3.38Å; C47-M51 PolarHBondContact SG-O 2.8Å; C47-C78 HydrophobicContact CB-CB 3.7Å; C47-C78 WeakPolarHBondContact CB-SG 3Å; C47-C78 WeakPolarHBondContact SG-CA 3.26Å; C47-C78 WeakPolarHBondContact SG-CB 3.26Å; C47-C78 CovalentContact SG-SG 2.02Å; C47-C78 PolarHBondContact SG-SG 3.39Å
48G71.5Confident82.3Confident71 Ų7152.7 Ų52.773%0.73234%0.339SS*.THydrogen-bonded Turntrans-59.5-11.4-177.800000116.4N178G48-N178 PolarHBondContact N-O 3.4Å
49G67Low82.2Confident80 Ų8048.4 Ų48.483%0.82531%0.309SS*.THydrogen-bonded Turntrans-137.820.217700000114.8C47C47-G49 PolarHBondContact O-N 3.31Å
50G67.8Low82.3Confident39 Ų3953 Ų5340%0.40233%0.328SS..SBendtrans-142.7-175.6-176.900000113.4C47C47-G50 PolarHBondContact O-N 3.38Å
51M75.6Confident82.3Confident158 Ų15852.7 Ų52.778%0.77832%0.32SS*.  trans-73.5144.7169.2-105.5176.875.500110.2C47C47-M51 PolarHBondContact SG-O 2.8Å
52N82.1Confident82.3Confident90 Ų9053.7 Ų53.748%0.48133%0.327SS..  trans-69134.9172.4-61.6-21.6000109.2L45 F46L45-N52 VanDerWaalsContact O-CA 3.31Å; L45-N52 WeakPolarHBondContact O-CA 3.25Å; F46-N52 WeakPolarHBondContact CD1-ND2 3.45Å
53E82.5Confident82.3Confident97 Ų9752.2 Ų52.245%0.45332%0.318SS..EExtended strand (participates in β ladder)trans-116.1153.4179.3-68.7-67.7171.700109.7L45L45-E53 PolarHBondContact N-O 3.43Å; L45-E53 PolarHBondContact O-N 2.82Å; L45-E53 VanDerWaalsContact O-N 3.15Å
54T83.7Confident82.2Confident86 Ų8656.1 Ų56.153%0.52833%0.333SS..EExtended strand (participates in β ladder)trans-123.5140.2177560000111.3V42 V43V42-T54 HydrophobicContact CG1-CG2 4.31Å; V43-T54 CarbonylContact O-C 3.18Å; V43-T54 VanDerWaalsContact O-CA 3.3Å; V43-T54 WeakPolarHBondContact O-CA 3.35Å
55L81.7Confident82Confident26 Ų2655.6 Ų55.614%0.13633%0.329CS..EExtended strand (participates in β ladder)trans-119.3137.4177.6-63176.5000109.9V42 V43 L45 I71 I77 L171V42-L55 WeakPolarHBondContact CA-O 3.21Å; V43-L55 HydrophobicContact CB-CB 4.28Å; V43-L55 PolarHBondContact N-O 2.99Å; V43-L55 PolarHBondContact O-N 3.04Å; L45-L55 HydrophobicContact CD1-CD1 3.76Å; L45-L55 HydrophobicContact CD1-CG 4.08Å; L55-I71 HydrophobicContact CD1-CD1 4.19Å; L55-I71 HydrophobicContact CD1-CG1 3.87Å; L55-I71 HydrophobicContact CD2-CG1 4.3Å; L55-I77 HydrophobicContact CD1-CD1 4.19Å; L55-I77 HydrophobicContact CD2-CD1 4Å; L55-L171 HydrophobicContact CD1-CD2 4.31Å
56N84.3Confident81.3Confident105 Ų10558 Ų5856%0.56135%0.346SS*.EExtended strand (participates in β ladder)trans-100.6112.7178.5-68.1-20.2000109.8T40T40-N56 HydrophobicContact CG2-CB 4.03Å
57A82.7Confident80.7Confident1 Ų160.8 Ų60.81%0.00836%0.36CS..EExtended strand (participates in β ladder)trans-97.793.9176.700000109.6T40 N41 V43 L70 L87T40-A57 CarbonylContact C-O 3.59Å; T40-A57 WeakPolarHBondContact CA-O 3.29Å; N41-A57 HydrophobicContact CB-CB 4.25Å; N41-A57 PolarHBondContact N-O 3.15Å; N41-A57 PolarHBondContact O-N 2.98Å; V43-A57 HydrophobicContact CG2-CB 4.45Å; A57-L70 HydrophobicContact CB-CD2 3.54Å; A57-L87 HydrophobicContact CB-CD1 4.36Å
58S84Confident80.1Confident60 Ų6061 Ų6142%0.4236%0.361SS..EExtended strand (participates in β ladder)trans-94.2126.2-179.369.50000112.3G39 V68G39-S58 CarbonylContact O-C 3.57Å; G39-S58 WeakPolarHBondContact O-CA 3.37Å; S58-V68 WeakPolarHBondContact O-CG1 3.4Å
59F86.9Confident80Confident1 Ų159.5 Ų59.50%0.00434%0.338CS..EExtended strand (participates in β ladder)trans-134.4143.1179.256.2-85.4000110.8F37 G39 N41 F63 L65 V158 T162 A187 M189F37-F59 AromaticContact CE1-CD2 3.96Å; F37-F59 HydrophobicContact CE1-CD2 3.96Å; F37-F59 AromaticContact CE1-CE2 3.58Å; F37-F59 HydrophobicContact CE1-CE2 3.58Å; F37-F59 HydrophobicContact CE1-CZ 4.5Å; F37-F59 HydrophobicContact CZ-CE2 4.15Å; G39-F59 PolarHBondContact N-O 3.17Å; G39-F59 PolarHBondContact O-N 3.46Å; N41-F59 WeakPolarHBondContact OD1-CE1 3.15Å; F59-F63 HydrophobicContact CD2-CD1 4.27Å; F59-F63 HydrophobicContact CD2-CE1 4.38Å; F59-L65 HydrophobicContact CB-CD2 4.07Å; F59-L65 HydrophobicContact CG-CD2 4.45Å; F59-V158 HydrophobicContact CD2-CG1 4.36Å; F59-V158 HydrophobicContact CE2-CG1 4.21Å; F59-T162 HydrophobicContact CD1-CG2 4.08Å; F59-T162 HydrophobicContact CE1-CG2 3.92Å; F59-T162 HydrophobicContact CZ-CG2 4.23Å; F59-A187 HydrophobicContact CE1-CB 4.07Å; F59-A187 HydrophobicContact CZ-CB 3.63Å; F59-M189 HydrophobicContact CE2-CE 3.8Å; F59-M189 HydrophobicContact CZ-CE 3.51Å
60H89.4Confident79.9Confident103 Ų10356 Ų5648%0.47730%0.3SS..EExtended strand (participates in β ladder)trans-141.2162.1-173.255.4-80.8000109.5F37 F63F37-H60 WeakPolarHBondContact O-CA 3.44Å; H60-F63 WeakPolarHBondContact O-CA 3.3Å; H60-F63 PolarHBondContact O-N 2.97Å
61Y88Confident79.8Confident59 Ų5954.3 Ų54.323%0.23128%0.282CS..THydrogen-bonded Turntrans-55130168.8175.7-87.6000109.9F37 F63 A95 E96 V99F37-Y61 PolarHBondContact O-N 3.49Å; F37-Y61 VanDerWaalsContact O-N 3.11Å; Y61-F63 HydrophobicContact CD2-CD2 4.48Å; Y61-F63 HydrophobicContact CD2-CE2 4.02Å; Y61-A95 HydrophobicContact CD2-CB 4.09Å; Y61-A95 HydrophobicContact CE2-CB 3.85Å; Y61-E96 WeakPolarHBondContact OH-CA 3.11Å; Y61-V99 HydrophobicContact CD2-CG2 4.36Å; Y61-V99 HydrophobicContact CE2-CB 4.17Å; Y61-V99 HydrophobicContact CE2-CG2 3.55Å
62P88.4Confident79Confident22 Ų2253.2 Ų53.214%0.14328%0.279CS..THydrogen-bonded Turncis-98.729.916.938.2-35.3000115R64 S92 E96P62-R64 HydrophobicContact CG-CG 4.16Å; P62-R64 PolarHBondContact O-N 3.34Å; P62-S92 WeakPolarHBondContact CB-OG 3.44Å; P62-S92 WeakPolarHBondContact CG-OG 3.35Å; P62-S92 WeakPolarHBondContact O-CA 3.39Å; P62-S92 VanDerWaalsContact O-CB 3.26Å; P62-S92 WeakPolarHBondContact O-CB 3.29Å; P62-S92 PolarHBondContact O-N 3.38Å; P62-E96 HydrophobicContact CB-CG 3.82Å
63F87.1Confident77.8Confident1 Ų150.5 Ų50.50%0.00427%0.273CS..  trans62.541.7174.2-46.6-80.5000114.6F37 F59 H60 Y61 L65 S91 A95 W151 V158 L192F37-F63 HydrophobicContact CB-CZ 4.27Å; F37-F63 AromaticContact CD1-CE1 3.65Å; F37-F63 HydrophobicContact CD1-CE1 3.65Å; F37-F63 AromaticContact CD1-CZ 3.95Å; F37-F63 HydrophobicContact CD1-CZ 3.95Å; F37-F63 HydrophobicContact CE1-CE1 4.16Å; F37-F63 HydrophobicContact CG-CZ 4.41Å; F59-F63 HydrophobicContact CD2-CD1 4.27Å; F59-F63 HydrophobicContact CD2-CE1 4.38Å; H60-F63 WeakPolarHBondContact O-CA 3.3Å; H60-F63 PolarHBondContact O-N 2.97Å; Y61-F63 HydrophobicContact CD2-CD2 4.48Å; Y61-F63 HydrophobicContact CD2-CE2 4.02Å; F63-L65 PolarHBondContact O-N 2.68Å; F63-S91 PolarHBondContact O-N 2.99Å; F63-A95 HydrophobicContact CD2-CB 3.72Å; F63-A95 HydrophobicContact CE2-CB 4.07Å; F63-W151 AromaticContact CD2-CH2 3.65Å; F63-W151 HydrophobicContact CD2-CH2 3.65Å; F63-W151 AromaticContact CD2-CZ3 3.84Å; F63-W151 HydrophobicContact CD2-CZ3 3.84Å; F63-W151 HydrophobicContact CE1-CH2 4.48Å; F63-W151 AromaticContact CE2-CH2 3.29Å; F63-W151 HydrophobicContact CE2-CH2 3.29Å; F63-W151 HydrophobicContact CE2-CZ2 4.06Å; F63-W151 AromaticContact CE2-CZ3 3.9Å; F63-W151 HydrophobicContact CE2-CZ3 3.9Å; F63-W151 HydrophobicContact CG-CH2 4.39Å; F63-W151 AromaticContact CZ-CH2 3.79Å; F63-W151 HydrophobicContact CZ-CH2 3.79Å; F63-W151 HydrophobicContact CZ-CZ2 4.35Å; F63-V158 HydrophobicContact CB-CG2 3.95Å; F63-V158 HydrophobicContact CD1-CG1 4.22Å; F63-V158 HydrophobicContact CD1-CG2 4.16Å; F63-V158 HydrophobicContact CG-CG2 4.12Å; F63-L192 HydrophobicContact CE1-CD1 3.96Å; F63-L192 HydrophobicContact CE1-CD2 4.2Å; F63-L192 HydrophobicContact CE2-CD2 4.49Å; F63-L192 HydrophobicContact CZ-CD1 4.15Å; F63-L192 HydrophobicContact CZ-CD2 3.58Å
64R84.6Confident76.7Confident84 Ų8452.1 Ų52.132%0.31728%0.284SS..  trans-78.468.1169.5-65.8174.8-170.7-85.2-4110.3P62 S66 Q67 S92 E96P62-R64 HydrophobicContact CG-CG 4.16Å; P62-R64 PolarHBondContact O-N 3.34Å; R64-S66 PolarHBondContact O-N 3.28Å; R64-Q67 HydrophobicContact CB-CB 4.34Å; R64-Q67 HydrophobicContact CB-CG 4.37Å; R64-Q67 PolarHBondContact O-N 3.14Å; R64-S92 PolarHBondContact NE-OG 3.45Å; R64-S92 PolarHBondContact NH2-OG 3.16Å; R64-S92 VanDerWaalsContact NH2-OG 3.09Å; R64-E96 IonicContact CZ-OE1 3.95Å; R64-E96 IonicContact NH2-OE1 3.79Å; R64-E96 PolarHBondContact NH2-OE1 3.4Å; R64-E96 IonicContact NH2-OE2 2.91Å
65L80.4Confident76Confident1 Ų151.1 Ų51.11%0.00528%0.278CS..G310 helixtrans-56-37.1-176.2-70.4155.5000111.8F59 F63 Q67 V68 L87 G89 V158 A161 T162F59-L65 HydrophobicContact CB-CD2 4.07Å; F59-L65 HydrophobicContact CG-CD2 4.45Å; F63-L65 PolarHBondContact O-N 2.68Å; L65-Q67 PolarHBondContact O-N 2.78Å; L65-Q67 VanDerWaalsContact O-N 3.08Å; L65-V68 PolarHBondContact O-N 3.08Å; L65-L87 CarbonylContact C-O 3.57Å; L65-L87 HydrophobicContact CB-CB 3.75Å; L65-L87 HydrophobicContact CD2-CB 3.94Å; L65-L87 HydrophobicContact CD2-CD1 3.97Å; L65-L87 HydrophobicContact CD2-CD2 4.34Å; L65-L87 HydrophobicContact CD2-CG 4.28Å; L65-L87 HydrophobicContact CG-CB 4.46Å; L65-L87 WeakPolarHBondContact O-CB 3.3Å; L65-L87 PolarHBondContact O-N 2.94Å; L65-L87 VanDerWaalsContact O-O 3.13Å; L65-G89 WeakPolarHBondContact CB-O 3.47Å; L65-V158 HydrophobicContact CD1-CG2 4.14Å; L65-A161 HydrophobicContact CD1-CB 4.01Å; L65-T162 HydrophobicContact CD2-CG2 3.91Å
66S72.8Confident75.3Confident54 Ų5455.2 Ų55.238%0.37830%0.304SS..G310 helixtrans-59.2-17.9175.262.20000115.9R64 H86 L87 G89R64-S66 PolarHBondContact O-N 3.28Å; S66-H86 VanDerWaalsContact O-CB 3.22Å; S66-H86 WeakPolarHBondContact O-CB 3.37Å; S66-H86 VanDerWaalsContact O-CG 3.27Å; S66-L87 VanDerWaalsContact CA-O 3.25Å; S66-L87 WeakPolarHBondContact CA-O 3.45Å; S66-L87 PolarHBondContact N-O 3.36Å; S66-G89 PolarHBondContact N-O 3.32Å
67Q71.4Confident74.7Confident126 Ų12650.6 Ų50.659%0.58928%0.28SS*.G310 helixtrans-103.4-10.4178.8-63.6179.3-400112.4R64 L65 P69R64-Q67 HydrophobicContact CB-CB 4.34Å; R64-Q67 HydrophobicContact CB-CG 4.37Å; R64-Q67 PolarHBondContact O-N 3.14Å; L65-Q67 PolarHBondContact O-N 2.78Å; L65-Q67 VanDerWaalsContact O-N 3.08Å; Q67-P69 VanDerWaalsContact O-CD 3.26Å; Q67-P69 WeakPolarHBondContact O-CD 3.41Å
68V71Confident74Confident17 Ų1751.4 Ų51.410%0.10329%0.285CS..SBendtrans-84.6112.9178174.20000108.4S58 L65 L70 H86 L87S58-V68 WeakPolarHBondContact O-CG1 3.4Å; L65-V68 PolarHBondContact O-N 3.08Å; V68-L70 PolarHBondContact O-N 2.8Å; V68-H86 WeakPolarHBondContact O-CA 3.41Å; V68-H86 PolarHBondContact O-ND1 3.15Å; V68-L87 HydrophobicContact CB-CD1 4.05Å; V68-L87 HydrophobicContact CG1-CD1 3.71Å; V68-L87 PolarHBondContact O-N 2.86Å
69P68.3Low73.5Confident39 Ų3955.8 Ų55.825%0.25330%0.304SS..BIsolated β-bridgetrans-69.6129.5172.429.2-31.4000109.5Q67 I71 D72 T84Q67-P69 VanDerWaalsContact O-CD 3.26Å; Q67-P69 WeakPolarHBondContact O-CD 3.41Å; P69-I71 VanDerWaalsContact C-N 3.32Å; P69-D72 WeakPolarHBondContact CB-OD1 3.47Å; P69-D72 WeakPolarHBondContact CG-OD1 3.1Å; P69-T84 HydrophobicContact CB-CG2 4.25Å
70L65.8Low72.7Confident7 Ų759.6 Ų59.64%0.03732%0.321CS..SBendtrans-77-26.7165.1-76153.8000111.2A57 V68 T85 L87 T170 L171A57-L70 HydrophobicContact CB-CD2 3.54Å; V68-L70 PolarHBondContact O-N 2.8Å; L70-T85 WeakPolarHBondContact CB-O 2.96Å; L70-T85 PolarHBondContact N-O 3.39Å; L70-L87 HydrophobicContact CD1-CB 4.47Å; L70-L87 HydrophobicContact CD1-CD2 4.24Å; L70-L87 HydrophobicContact CD1-CG 3.77Å; L70-L87 HydrophobicContact CD2-CD1 4.1Å; L70-L87 HydrophobicContact CD2-CD2 4.04Å; L70-L87 HydrophobicContact CD2-CG 3.84Å; L70-L87 HydrophobicContact CG-CD1 4.14Å; L70-L87 HydrophobicContact CG-CD2 4.36Å; L70-L87 HydrophobicContact CG-CG 3.71Å; L70-T170 HydrophobicContact CD1-CG2 4.07Å; L70-L171 HydrophobicContact CD1-CD1 3.87Å
71I65.1Low71.6Confident4 Ų459.7 Ų59.72%0.02133%0.333CS..SBendtrans-138112.4-178.4-58170.4000107.2L55 P69 G73 V75 I77 V82 T84L55-I71 HydrophobicContact CD1-CD1 4.19Å; L55-I71 HydrophobicContact CD1-CG1 3.87Å; L55-I71 HydrophobicContact CD2-CG1 4.3Å; P69-I71 VanDerWaalsContact C-N 3.32Å; I71-G73 WeakPolarHBondContact CG2-O 3.46Å; I71-G73 PolarHBondContact O-N 3.16Å; I71-V75 HydrophobicContact CG2-CB 4.2Å; I71-V75 HydrophobicContact CG2-CG2 3.72Å; I71-I77 HydrophobicContact CD1-CD1 3.63Å; I71-I77 HydrophobicContact CG1-CD1 4.05Å; I71-I77 HydrophobicContact CG2-CD1 4.31Å; I71-V82 HydrophobicContact CD1-CB 3.91Å; I71-V82 HydrophobicContact CD1-CG1 3.42Å; I71-V82 VanDerWaalsContact CD1-CG1 3.42Å; I71-T84 WeakPolarHBondContact O-CG2 2.94Å
72D59.8Low70.6Confident134 Ų13457.4 Ų57.472%0.71733%0.326SS*.  trans-78.1102.8174.4-78.2-41000110.1P69P69-D72 WeakPolarHBondContact CB-OD1 3.47Å; P69-D72 WeakPolarHBondContact CG-OD1 3.1Å
73G56.9Low69.4Low33 Ų3360.8 Ų60.834%0.3435%0.346SS..SBendtrans85.8-176177.500000115.5I71 V75 T84I71-G73 WeakPolarHBondContact CG2-O 3.46Å; I71-G73 PolarHBondContact O-N 3.16Å; G73-V75 PolarHBondContact O-N 2.94Å; G73-T84 WeakPolarHBondContact CA-OG1 3.4Å; G73-T84 PolarHBondContact N-OG1 3.42Å
74N59.3Low68.4Low131 Ų13163.5 Ų63.570%0.70136%0.363SS*.SBendtrans-82.198.3176.7-76.7-1.8000109.1V82 T83N74-V82 WeakPolarHBondContact CA-O 3.04Å; N74-T83 WeakPolarHBondContact OD1-CA 3.13Å
75V68.7Low67.4Low65 Ų6560.7 Ų60.739%0.39436%0.355SS..EExtended strand (participates in β ladder)trans-109.4139.8178.4-1580000108.9I71 G73 I77 V82I71-V75 HydrophobicContact CG2-CB 4.2Å; I71-V75 HydrophobicContact CG2-CG2 3.72Å; G73-V75 PolarHBondContact O-N 2.94Å; V75-I77 HydrophobicContact CB-CG1 4.27Å; V75-I77 HydrophobicContact CG1-CG1 4.44Å; V75-I77 PolarHBondContact O-N 2.95Å; V75-V82 PolarHBondContact N-O 3.31Å; V75-V82 PolarHBondContact O-N 3.36Å
76T67.3Low67.2Low112 Ų11264.5 Ų64.569%0.68737%0.373SS*.EExtended strand (participates in β ladder)trans-80.6110.517047.10000108.7H80T76-H80 CarbonylContact C-O 3.55Å; T76-H80 WeakPolarHBondContact CA-O 3.4Å
77I70.6Confident67.1Low9 Ų962 Ų625%0.04636%0.355CS..EExtended strand (participates in β ladder)trans-117.5130.5179.3-59.2178.2000107.5L45 L55 I71 V75 N79 H80 V82L45-I77 HydrophobicContact CD1-CG2 3.28Å; L55-I77 HydrophobicContact CD1-CD1 4.19Å; L55-I77 HydrophobicContact CD2-CD1 4Å; I71-I77 HydrophobicContact CD1-CD1 3.63Å; I71-I77 HydrophobicContact CG1-CD1 4.05Å; I71-I77 HydrophobicContact CG2-CD1 4.31Å; V75-I77 HydrophobicContact CB-CG1 4.27Å; V75-I77 HydrophobicContact CG1-CG1 4.44Å; V75-I77 PolarHBondContact O-N 2.95Å; I77-N79 VanDerWaalsContact C-N 3.26Å; I77-N79 PolarHBondContact O-N 2.93Å; I77-H80 PolarHBondContact N-O 2.9Å; I77-H80 PolarHBondContact O-N 2.85Å; I77-H80 VanDerWaalsContact O-O 3.07Å; I77-V82 HydrophobicContact CB-CG2 3.85Å; I77-V82 HydrophobicContact CD1-CG2 4.17Å; I77-V82 HydrophobicContact CG1-CG2 4.16Å
78C68.9Low67.2Low18 Ų1862.7 Ų62.712%0.12236%0.36CS..THydrogen-bonded Turntrans50.440.9-175.2-61.60000113.8C47 H80 V179C47-C78 HydrophobicContact CB-CB 3.7Å; C47-C78 WeakPolarHBondContact CB-SG 3Å; C47-C78 WeakPolarHBondContact SG-CA 3.26Å; C47-C78 WeakPolarHBondContact SG-CB 3.26Å; C47-C78 CovalentContact SG-SG 2.02Å; C47-C78 PolarHBondContact SG-SG 3.39Å; C78-H80 PolarHBondContact O-CD2 2.78Å; C78-H80 PolarHBondContact O-N 3.32Å; C78-H80 VanDerWaalsContact O-N 3.16Å; C78-V179 HydrophobicContact CB-CG2 3.83Å; C78-V179 VanDerWaalsContact SG-CG1 3.57Å
79N72.1Confident67.4Low151 Ų15163.8 Ų63.881%0.80737%0.374SS*.THydrogen-bonded Turntrans60.814-174.2-62.8-33.5000115.7I77I77-N79 VanDerWaalsContact C-N 3.26Å; I77-N79 PolarHBondContact O-N 2.93Å
80H70.4Confident68.2Low82 Ų8265.8 Ų65.838%0.3838%0.383SS..EExtended strand (participates in β ladder)trans-113.2135.8173.5-68.8-75.1000110.2T76 I77 C78 V82 L173T76-H80 CarbonylContact C-O 3.55Å; T76-H80 WeakPolarHBondContact CA-O 3.4Å; I77-H80 PolarHBondContact N-O 2.9Å; I77-H80 PolarHBondContact O-N 2.85Å; I77-H80 VanDerWaalsContact O-O 3.07Å; C78-H80 PolarHBondContact O-CD2 2.78Å; C78-H80 PolarHBondContact O-N 3.32Å; C78-H80 VanDerWaalsContact O-N 3.16Å; H80-V82 PolarHBondContact O-N 2.91Å; H80-L173 HydrophobicContact CB-CD2 3.43Å; H80-L173 VanDerWaalsContact CB-CD2 3.43Å
81S67.1Low69.3Low104 Ų10465.8 Ų65.873%0.72738%0.383SS*.EExtended strand (participates in β ladder)trans-75.1118172.464.50000109.5
82V66.6Low70.6Confident12 Ų1265.6 Ų65.67%0.07338%0.383CS..EExtended strand (participates in β ladder)trans-107.3125.7178.5-161.70000108.2I71 N74 V75 I77 H80 T85 L173I71-V82 HydrophobicContact CD1-CB 3.91Å; I71-V82 HydrophobicContact CD1-CG1 3.42Å; I71-V82 VanDerWaalsContact CD1-CG1 3.42Å; N74-V82 WeakPolarHBondContact CA-O 3.04Å; V75-V82 PolarHBondContact N-O 3.31Å; V75-V82 PolarHBondContact O-N 3.36Å; I77-V82 HydrophobicContact CB-CG2 3.85Å; I77-V82 HydrophobicContact CD1-CG2 4.17Å; I77-V82 HydrophobicContact CG1-CG2 4.16Å; H80-V82 PolarHBondContact O-N 2.91Å; V82-T85 HydrophobicContact CG1-CG2 4.47Å; V82-L173 HydrophobicContact CB-CD1 4.04Å; V82-L173 HydrophobicContact CG1-CD1 3.59Å; V82-L173 HydrophobicContact CG2-CD1 3.25Å; V82-L173 HydrophobicContact CG2-CD2 4.1Å; V82-L173 HydrophobicContact CG2-CG 4.21Å
83T64.1Low72.2Confident92 Ų9263.5 Ų63.556%0.56438%0.379SS*.  trans-76.1156.9171.252.70000110.1N74 T85N74-T83 WeakPolarHBondContact OD1-CA 3.13Å; T83-T85 PolarHBondContact O-N 2.98Å
84T64.5Low73.9Confident58 Ų5862.6 Ų62.636%0.35637%0.368SS..  trans-46.9110.9175.3-56.30000111.5P69 I71 G73P69-T84 HydrophobicContact CB-CG2 4.25Å; I71-T84 WeakPolarHBondContact O-CG2 2.94Å; G73-T84 WeakPolarHBondContact CA-OG1 3.4Å; G73-T84 PolarHBondContact N-OG1 3.42Å
85T64.6Low75.6Confident26 Ų2656.3 Ų56.316%0.1633%0.334CS..  trans-104.7133.117548.80000109.1L70 V82 T83L70-T85 WeakPolarHBondContact CB-O 2.96Å; L70-T85 PolarHBondContact N-O 3.39Å; V82-T85 HydrophobicContact CG1-CG2 4.47Å; T83-T85 PolarHBondContact O-N 2.98Å
86H76.1Confident76.8Confident80 Ų8056.9 Ų56.937%0.3733%0.332SS..BIsolated β-bridgetrans-99.6154.4172.9-62.7-81.7000110.3S66 V68 T170S66-H86 VanDerWaalsContact O-CB 3.22Å; S66-H86 WeakPolarHBondContact O-CB 3.37Å; S66-H86 VanDerWaalsContact O-CG 3.27Å; V68-H86 WeakPolarHBondContact O-CA 3.41Å; V68-H86 PolarHBondContact O-ND1 3.15Å; H86-T170 WeakPolarHBondContact O-CG2 3.42Å
87L71.3Confident78.2Confident2 Ų255.1 Ų55.11%0.0132%0.315CS..PPolyproline II helixtrans-61.9141.3170.9-77.4135.6000110A57 L65 S66 V68 L70 T162 I167A57-L87 HydrophobicContact CB-CD1 4.36Å; L65-L87 CarbonylContact C-O 3.57Å; L65-L87 HydrophobicContact CB-CB 3.75Å; L65-L87 HydrophobicContact CD2-CB 3.94Å; L65-L87 HydrophobicContact CD2-CD1 3.97Å; L65-L87 HydrophobicContact CD2-CD2 4.34Å; L65-L87 HydrophobicContact CD2-CG 4.28Å; L65-L87 HydrophobicContact CG-CB 4.46Å; L65-L87 WeakPolarHBondContact O-CB 3.3Å; L65-L87 PolarHBondContact O-N 2.94Å; L65-L87 VanDerWaalsContact O-O 3.13Å; S66-L87 VanDerWaalsContact CA-O 3.25Å; S66-L87 WeakPolarHBondContact CA-O 3.45Å; S66-L87 PolarHBondContact N-O 3.36Å; V68-L87 HydrophobicContact CB-CD1 4.05Å; V68-L87 HydrophobicContact CG1-CD1 3.71Å; V68-L87 PolarHBondContact O-N 2.86Å; L70-L87 HydrophobicContact CD1-CB 4.47Å; L70-L87 HydrophobicContact CD1-CD2 4.24Å; L70-L87 HydrophobicContact CD1-CG 3.77Å; L70-L87 HydrophobicContact CD2-CD1 4.1Å; L70-L87 HydrophobicContact CD2-CD2 4.04Å; L70-L87 HydrophobicContact CD2-CG 3.84Å; L70-L87 HydrophobicContact CG-CD1 4.14Å; L70-L87 HydrophobicContact CG-CD2 4.36Å; L70-L87 HydrophobicContact CG-CG 3.71Å; L87-T162 HydrophobicContact CD2-CG2 4.25Å; L87-I167 HydrophobicContact CD2-CG1 4.39Å
88M72.4Confident79.4Confident141 Ų14154.8 Ų54.870%0.69531%0.313SS*.SBendtrans-78.7133.4175.8-99.1-150.3157.200111.7A161M88-A161 VanDerWaalsContact O-CB 3.25Å; M88-A161 WeakPolarHBondContact O-CB 3.41Å
89G75.4Confident80.7Confident39 Ų3954.9 Ų54.940%0.40231%0.313SS..  trans119.8158.917100000114.2L65 S66L65-G89 WeakPolarHBondContact CB-O 3.47Å; S66-G89 PolarHBondContact N-O 3.32Å
90D85.6Confident81.9Confident82 Ų8249.4 Ų49.444%0.43929%0.293SS..  trans-142.1114.1169.3-173-2.2000108.2S92D90-S92 WeakPolarHBondContact OD1-CB 3.47Å; D90-S92 PolarHBondContact OD1-N 3.35Å
91S88.9Confident83.1Confident6 Ų646.4 Ų46.44%0.04228%0.279CS..  trans-112.717.8175.2-63.20000112.2F63 A94 A95 G154F63-S91 PolarHBondContact O-N 2.99Å; S91-A94 PolarHBondContact O-N 3.34Å; S91-A95 PolarHBondContact O-N 3.44Å; S91-A95 VanDerWaalsContact O-N 3.15Å; S91-G154 PolarHBondContact OG-O 2.93Å
92S92Very high84.4Confident1 Ų141.5 Ų41.51%0.00725%0.245CC..Hα-helixtrans-62.8-45.3-177.9-175.10000113.8P62 R64 D90 A94 A95 E96P62-S92 WeakPolarHBondContact CB-OG 3.44Å; P62-S92 WeakPolarHBondContact CG-OG 3.35Å; P62-S92 WeakPolarHBondContact O-CA 3.39Å; P62-S92 VanDerWaalsContact O-CB 3.26Å; P62-S92 WeakPolarHBondContact O-CB 3.29Å; P62-S92 PolarHBondContact O-N 3.38Å; R64-S92 PolarHBondContact NE-OG 3.45Å; R64-S92 PolarHBondContact NH2-OG 3.16Å; R64-S92 VanDerWaalsContact NH2-OG 3.09Å; D90-S92 WeakPolarHBondContact OD1-CB 3.47Å; D90-S92 PolarHBondContact OD1-N 3.35Å; S92-A94 VanDerWaalsContact C-N 3.29Å; S92-A94 PolarHBondContact O-N 2.77Å; S92-A95 PolarHBondContact O-N 2.88Å; S92-E96 VanDerWaalsContact O-CB 3.27Å; S92-E96 WeakPolarHBondContact O-CB 3.4Å; S92-E96 VanDerWaalsContact O-CG 3.28Å; S92-E96 WeakPolarHBondContact O-CG 3.27Å; S92-E96 PolarHBondContact O-N 3.38Å; S92-E96 PolarHBondContact OG-OE1 2.86Å; S92-E96 PolarHBondContact OG-OE2 2.79Å
93S93.1Very high85.8Confident90 Ų9043.7 Ų43.763%0.62926%0.258SS*.Hα-helixtrans-59.2-41.3179.857.40000112.3F97S93-F97 WeakPolarHBondContact O-CB 3.43Å; S93-F97 PolarHBondContact O-N 2.85Å
94A93.9Very high87.3Confident13 Ų1342.9 Ų42.911%0.10725%0.253CS..Hα-helixtrans-68-44178.300000112.1S91 S92 F98 A150S91-A94 PolarHBondContact O-N 3.34Å; S92-A94 VanDerWaalsContact C-N 3.29Å; S92-A94 PolarHBondContact O-N 2.77Å; A94-F98 WeakPolarHBondContact O-CB 3.46Å; A94-F98 PolarHBondContact O-N 3.34Å; A94-A150 HydrophobicContact CB-CB 4.37Å
95A93.8Very high88.8Confident0 Ų040.2 Ų40.20%024%0.237CC..Hα-helixtrans-66.9-46.9178.700000112Y61 F63 S91 S92 F97 F98 V99 W151Y61-A95 HydrophobicContact CD2-CB 4.09Å; Y61-A95 HydrophobicContact CE2-CB 3.85Å; F63-A95 HydrophobicContact CD2-CB 3.72Å; F63-A95 HydrophobicContact CE2-CB 4.07Å; S91-A95 PolarHBondContact O-N 3.44Å; S91-A95 VanDerWaalsContact O-N 3.15Å; S92-A95 PolarHBondContact O-N 2.88Å; A95-F97 VanDerWaalsContact C-N 3.34Å; A95-F97 PolarHBondContact O-N 3.29Å; A95-F98 PolarHBondContact O-N 3.01Å; A95-V99 WeakPolarHBondContact O-CG2 3.5Å; A95-V99 PolarHBondContact O-N 3.46Å; A95-W151 HydrophobicContact CB-CE3 3.85Å; A95-W151 HydrophobicContact CB-CH2 4.41Å; A95-W151 HydrophobicContact CB-CZ3 3.66Å
96E95.1Very high90.2Very high76 Ų7641.2 Ų41.236%0.35524%0.239SC..Hα-helixtrans-63.6-39.8178.3-71.3168.6154.900111.3Y61 P62 R64 S92 G100Y61-E96 WeakPolarHBondContact OH-CA 3.11Å; P62-E96 HydrophobicContact CB-CG 3.82Å; R64-E96 IonicContact CZ-OE1 3.95Å; R64-E96 IonicContact NH2-OE1 3.79Å; R64-E96 PolarHBondContact NH2-OE1 3.4Å; R64-E96 IonicContact NH2-OE2 2.91Å; S92-E96 VanDerWaalsContact O-CB 3.27Å; S92-E96 WeakPolarHBondContact O-CB 3.4Å; S92-E96 VanDerWaalsContact O-CG 3.28Å; S92-E96 WeakPolarHBondContact O-CG 3.27Å; S92-E96 PolarHBondContact O-N 3.38Å; S92-E96 PolarHBondContact OG-OE1 2.86Å; S92-E96 PolarHBondContact OG-OE2 2.79Å; E96-G100 WeakPolarHBondContact O-CA 3.33Å; E96-G100 PolarHBondContact O-N 2.76Å
97F96Very high91.1Very high76 Ų7641.8 Ų41.833%0.33324%0.244SC..Hα-helixtrans-64.1-44.7174.5-179.6-130000112S93 A95 G100 I101 L143 V146 C147 A150S93-F97 WeakPolarHBondContact O-CB 3.43Å; S93-F97 PolarHBondContact O-N 2.85Å; A95-F97 VanDerWaalsContact C-N 3.34Å; A95-F97 PolarHBondContact O-N 3.29Å; F97-G100 PolarHBondContact O-N 3.26Å; F97-I101 HydrophobicContact CD2-CD1 4.47Å; F97-I101 HydrophobicContact CD2-CG1 3.84Å; F97-I101 HydrophobicContact CE2-CD1 3.86Å; F97-I101 HydrophobicContact CE2-CG1 3.48Å; F97-I101 VanDerWaalsContact CE2-CG1 3.48Å; F97-I101 HydrophobicContact CZ-CG1 4.03Å; F97-I101 WeakPolarHBondContact O-CB 3.28Å; F97-I101 WeakPolarHBondContact O-CG1 3.47Å; F97-I101 PolarHBondContact O-N 3.1Å; F97-L143 HydrophobicContact CZ-CD2 4.46Å; F97-V146 HydrophobicContact CE1-CB 4.4Å; F97-V146 HydrophobicContact CE1-CG1 4Å; F97-V146 HydrophobicContact CZ-CG1 4.49Å; F97-C147 HydrophobicContact CD1-CB 3.45Å; F97-C147 VanDerWaalsContact CD1-CB 3.45Å; F97-C147 VanDerWaalsContact CE1-CA 3.42Å; F97-C147 HydrophobicContact CE1-CB 3.34Å; F97-C147 HydrophobicContact CG-CB 4.11Å; F97-C147 HydrophobicContact CZ-CB 3.92Å; F97-A150 HydrophobicContact CD1-CB 4.49Å
98F96.4Very high92.2Very high1 Ų143.6 Ų43.60%0.00425%0.251CS..Hα-helixtrans-62.7-47.6177177.5-106.1000112.8A30 C34 A94 A95 G102 W144 C147 W151A30-F98 HydrophobicContact CB-CE1 4.48Å; A30-F98 HydrophobicContact CB-CZ 3.91Å; C34-F98 HydrophobicContact CB-CD1 4.02Å; C34-F98 HydrophobicContact CB-CE1 3.98Å; A94-F98 WeakPolarHBondContact O-CB 3.46Å; A94-F98 PolarHBondContact O-N 3.34Å; A95-F98 PolarHBondContact O-N 3.01Å; F98-G102 PolarHBondContact O-N 3.02Å; F98-W144 HydrophobicContact CE2-CZ2 4.48Å; F98-C147 HydrophobicContact CB-CB 4.43Å; F98-C147 HydrophobicContact CD2-CB 4.46Å; F98-W151 HydrophobicContact CB-CB 3.73Å; F98-W151 HydrophobicContact CB-CG 4.12Å; F98-W151 HydrophobicContact CD1-CB 4.32Å; F98-W151 AromaticContact CD1-CD1 3.58Å; F98-W151 AromaticContact CD1-CG 3.94Å; F98-W151 HydrophobicContact CD1-CG 3.94Å; F98-W151 HydrophobicContact CD2-CB 4.01Å; F98-W151 HydrophobicContact CD2-CG 4.4Å; F98-W151 AromaticContact CE1-CD1 3.66Å; F98-W151 HydrophobicContact CE1-CG 4.44Å; F98-W151 HydrophobicContact CG-CB 3.77Å; F98-W151 AromaticContact CG-CD1 3.88Å; F98-W151 AromaticContact CG-CG 3.9Å; F98-W151 HydrophobicContact CG-CG 3.9Å
99V96.1Very high93.2Very high20 Ų2036.9 Ų36.912%0.12122%0.218CC..Hα-helixtrans-66.7-40.8177.8172.40000111.2F31 C34 Y61 A95 G102 V103F31-V99 HydrophobicContact CB-CG1 4.41Å; F31-V99 HydrophobicContact CB-CG2 4.41Å; C34-V99 HydrophobicContact CB-CG2 4.1Å; Y61-V99 HydrophobicContact CD2-CG2 4.36Å; Y61-V99 HydrophobicContact CE2-CB 4.17Å; Y61-V99 HydrophobicContact CE2-CG2 3.55Å; A95-V99 WeakPolarHBondContact O-CG2 3.5Å; A95-V99 PolarHBondContact O-N 3.46Å; V99-G102 CarbonylContact O-C 3.6Å; V99-G102 VanDerWaalsContact O-CA 3.25Å; V99-G102 WeakPolarHBondContact O-CA 3.38Å; V99-G102 PolarHBondContact O-N 3.23Å; V99-V103 WeakPolarHBondContact O-CG2 3.38Å; V99-V103 PolarHBondContact O-N 2.9Å
100G96.1Very high94Very high36 Ų3639 Ų3937%0.37122%0.219SC..Hα-helixtrans-60.8-50.4178.200000112.7E96 F97 G102 V103 V104E96-G100 WeakPolarHBondContact O-CA 3.33Å; E96-G100 PolarHBondContact O-N 2.76Å; F97-G100 PolarHBondContact O-N 3.26Å; G100-G102 VanDerWaalsContact C-N 3.28Å; G100-G102 PolarHBondContact O-N 3.49Å; G100-V103 PolarHBondContact O-N 2.85Å; G100-V104 WeakPolarHBondContact O-CG2 3.49Å; G100-V104 PolarHBondContact O-N 2.72Å; G100-V104 VanDerWaalsContact O-N 3.1Å
101I95.9Very high94.3Very high20 Ų2039.3 Ų39.310%0.10322%0.223CC..Hα-helixtrans-63.5-38.1173.8-63.8-58.4000110.7F97 V103 V104 C105 L143 W144 C147F97-I101 HydrophobicContact CD2-CD1 4.47Å; F97-I101 HydrophobicContact CD2-CG1 3.84Å; F97-I101 HydrophobicContact CE2-CD1 3.86Å; F97-I101 HydrophobicContact CE2-CG1 3.48Å; F97-I101 VanDerWaalsContact CE2-CG1 3.48Å; F97-I101 HydrophobicContact CZ-CG1 4.03Å; F97-I101 WeakPolarHBondContact O-CB 3.28Å; F97-I101 WeakPolarHBondContact O-CG1 3.47Å; F97-I101 PolarHBondContact O-N 3.1Å; I101-V103 PolarHBondContact O-N 3.16Å; I101-V104 PolarHBondContact O-N 3.38Å; I101-C105 WeakPolarHBondContact O-CB 3.45Å; I101-C105 PolarHBondContact O-N 3.04Å; I101-L143 HydrophobicContact CD1-CB 4.12Å; I101-L143 HydrophobicContact CD1-CD1 4.12Å; I101-L143 HydrophobicContact CG2-CB 4.27Å; I101-W144 HydrophobicContact CG2-CE3 3.81Å; I101-W144 HydrophobicContact CG2-CZ3 4.43Å; I101-C147 HydrophobicContact CB-CB 4.32Å; I101-C147 HydrophobicContact CG1-CB 4.24Å
102G95.1Very high94.3Very high0 Ų039.4 Ų39.40%023%0.225CC..Hα-helixtrans-38.3-61.2164.900000114F98 V99 G100 F106 W144F98-G102 PolarHBondContact O-N 3.02Å; V99-G102 CarbonylContact O-C 3.6Å; V99-G102 VanDerWaalsContact O-CA 3.25Å; V99-G102 WeakPolarHBondContact O-CA 3.38Å; V99-G102 PolarHBondContact O-N 3.23Å; G100-G102 VanDerWaalsContact C-N 3.28Å; G100-G102 PolarHBondContact O-N 3.49Å; G102-F106 WeakPolarHBondContact O-CB 3.43Å; G102-F106 PolarHBondContact O-N 3.48Å; G102-W144 VanDerWaalsContact CA-CZ3 3.41Å
103V95.9Very high94.2Very high59 Ų5940.4 Ų40.436%0.35823%0.229SC..Hα-helixtrans-68.1-40.9-176.6174.50000111.7F31 V99 G100 I101 F106 L107F31-V103 HydrophobicContact CD2-CG2 4.43Å; V99-V103 WeakPolarHBondContact O-CG2 3.38Å; V99-V103 PolarHBondContact O-N 2.9Å; G100-V103 PolarHBondContact O-N 2.85Å; I101-V103 PolarHBondContact O-N 3.16Å; V103-F106 WeakPolarHBondContact O-CB 3.44Å; V103-F106 PolarHBondContact O-N 2.91Å; V103-L107 HydrophobicContact CG1-CD1 4.16Å; V103-L107 HydrophobicContact CG1-CG 4.45Å; V103-L107 WeakPolarHBondContact O-CG 3.4Å; V103-L107 PolarHBondContact O-N 3.09Å
104V95.5Very high94Very high75 Ų7540.1 Ų40.146%0.45522%0.22SC..Hα-helixtrans-61.9-47.1178.1172.10000111.1G100 I101 F106 L107 Y108 L140G100-V104 WeakPolarHBondContact O-CG2 3.49Å; G100-V104 PolarHBondContact O-N 2.72Å; G100-V104 VanDerWaalsContact O-N 3.1Å; I101-V104 PolarHBondContact O-N 3.38Å; V104-F106 PolarHBondContact O-N 3Å; V104-L107 PolarHBondContact O-N 3.48Å; V104-Y108 WeakPolarHBondContact O-CB 3.46Å; V104-Y108 PolarHBondContact O-N 3.28Å; V104-L140 HydrophobicContact CG1-CD2 3.93Å
105C94.6Very high93.7Very high1 Ų141.9 Ų41.91%0.00723%0.23CC..Hα-helixtrans-62.4-41.3175.7-78.20000112.1I101 Y108 S109 W144 W206I101-C105 WeakPolarHBondContact O-CB 3.45Å; I101-C105 PolarHBondContact O-N 3.04Å; C105-Y108 PolarHBondContact O-N 2.72Å; C105-S109 WeakPolarHBondContact O-CB 3.37Å; C105-S109 PolarHBondContact O-N 3.07Å; C105-S109 PolarHBondContact O-OG 3.06Å; C105-S109 VanDerWaalsContact O-OG 3.08Å; C105-W144 HydrophobicContact CB-CE3 3.82Å; C105-W144 HydrophobicContact CB-CZ3 3.61Å; C105-W206 HydrophobicContact CB-CH2 4.32Å; C105-W206 HydrophobicContact CB-CZ2 3.54Å; C105-W206 VanDerWaalsContact SG-CZ2 3.59Å
106F95Very high93.3Very high47 Ų4742 Ų4221%0.20623%0.23CC..Hα-helixtrans-57.9-49.1174.8165.4-91.2000112.3W24 A27 I28 F31 G102 V103 V104 S109 M110W24-F106 AromaticContact CD1-CD2 3.37Å; W24-F106 AromaticContact CD1-CE2 3.56Å; W24-F106 AromaticContact CE2-CE2 3.67Å; W24-F106 HydrophobicContact CG-CD2 4.43Å; W24-F106 HydrophobicContact CZ2-CE2 4.16Å; W24-F106 HydrophobicContact CZ2-CZ 4.49Å; W24-F106 AromaticContact NE1-CD2 3.25Å; W24-F106 AromaticContact NE1-CE2 2.89Å; W24-F106 AromaticContact NE1-CZ 3.5Å; A27-F106 HydrophobicContact CB-CB 4.35Å; I28-F106 HydrophobicContact CD1-CD2 4.24Å; I28-F106 HydrophobicContact CD1-CE2 3.84Å; I28-F106 HydrophobicContact CG1-CD2 3.68Å; I28-F106 HydrophobicContact CG1-CE2 3.69Å; F31-F106 HydrophobicContact CE1-CB 3.94Å; F31-F106 HydrophobicContact CE1-CD2 4.28Å; F31-F106 HydrophobicContact CE1-CG 4.18Å; G102-F106 WeakPolarHBondContact O-CB 3.43Å; G102-F106 PolarHBondContact O-N 3.48Å; V103-F106 WeakPolarHBondContact O-CB 3.44Å; V103-F106 PolarHBondContact O-N 2.91Å; V104-F106 PolarHBondContact O-N 3Å; F106-S109 PolarHBondContact O-N 3.44Å; F106-M110 WeakPolarHBondContact O-CB 3.42Å; F106-M110 PolarHBondContact O-N 2.81Å
107L95.5Very high92.9Very high92 Ų9239.3 Ų39.348%0.48222%0.218SC..Hα-helixtrans-65.5-40.9179-68174.4000111.4V103 V104 M110 V111V103-L107 HydrophobicContact CG1-CD1 4.16Å; V103-L107 HydrophobicContact CG1-CG 4.45Å; V103-L107 WeakPolarHBondContact O-CG 3.4Å; V103-L107 PolarHBondContact O-N 3.09Å; V104-L107 PolarHBondContact O-N 3.48Å; L107-M110 PolarHBondContact O-N 2.91Å; L107-V111 WeakPolarHBondContact O-CG2 3.46Å; L107-V111 PolarHBondContact O-N 3.24Å
108Y94.1Very high92.3Very high40 Ų4035.8 Ų35.816%0.15720%0.203CC..Hα-helixtrans-61.2-51176.2179.8-95000112V104 C105 M110 V111 A112 D133 I136 L140 W206V104-Y108 WeakPolarHBondContact O-CB 3.46Å; V104-Y108 PolarHBondContact O-N 3.28Å; C105-Y108 PolarHBondContact O-N 2.72Å; Y108-M110 PolarHBondContact O-N 3.11Å; Y108-V111 PolarHBondContact O-N 2.81Å; Y108-V111 VanDerWaalsContact O-N 3.15Å; Y108-A112 HydrophobicContact CE1-CB 4.26Å; Y108-A112 WeakPolarHBondContact O-CB 3.36Å; Y108-A112 PolarHBondContact O-N 3.33Å; Y108-D133 WeakPolarHBondContact OH-CA 3.48Å; Y108-D133 PolarHBondContact OH-O 3.1Å; Y108-D133 PolarHBondContact OH-OD1 2.83Å; Y108-I136 HydrophobicContact CD2-CG2 3.67Å; Y108-I136 HydrophobicContact CE1-CG2 4.24Å; Y108-I136 HydrophobicContact CE2-CB 3.86Å; Y108-I136 HydrophobicContact CE2-CD1 3.91Å; Y108-I136 HydrophobicContact CE2-CG1 4.5Å; Y108-I136 HydrophobicContact CE2-CG2 3.26Å; Y108-I136 HydrophobicContact CG-CG2 4.3Å; Y108-L140 HydrophobicContact CD1-CD1 3.83Å; Y108-L140 HydrophobicContact CD2-CD1 4.22Å; Y108-L140 HydrophobicContact CE1-CD1 4.4Å; Y108-L140 HydrophobicContact CG-CD1 3.68Å; Y108-W206 AromaticContact CD1-CH2 3.56Å; Y108-W206 HydrophobicContact CD1-CH2 3.56Å; Y108-W206 HydrophobicContact CD1-CZ3 4.11Å; Y108-W206 HydrophobicContact CE1-CH2 4.12Å; Y108-W206 HydrophobicContact CE1-CZ3 4.21Å; Y108-W206 HydrophobicContact CG-CH2 4.43Å
109S93.1Very high91.6Very high0 Ų039.7 Ų39.70%022%0.218CC..Hα-helixtrans-61.9-34.5-179.7-60.40000111.4E23 C105 F106 L113 W206E23-S109 PolarHBondContact OE2-OG 3.35Å; C105-S109 WeakPolarHBondContact O-CB 3.37Å; C105-S109 PolarHBondContact O-N 3.07Å; C105-S109 PolarHBondContact O-OG 3.06Å; C105-S109 VanDerWaalsContact O-OG 3.08Å; F106-S109 PolarHBondContact O-N 3.44Å; S109-L113 WeakPolarHBondContact O-CB 3.2Å; S109-L113 PolarHBondContact O-N 3.18Å; S109-W206 WeakPolarHBondContact OG-CZ2 3.32Å
110M92.1Very high90.8Very high85 Ų8540.1 Ų40.142%0.41922%0.219SC..Hα-helixtrans-62.7-49.8172.4-176.8-174178.800112F106 L107 Y108 L113 L114F106-M110 WeakPolarHBondContact O-CB 3.42Å; F106-M110 PolarHBondContact O-N 2.81Å; L107-M110 PolarHBondContact O-N 2.91Å; Y108-M110 PolarHBondContact O-N 3.11Å; M110-L113 PolarHBondContact O-N 3.37Å; M110-L114 WeakPolarHBondContact O-CG 3.44Å; M110-L114 PolarHBondContact O-N 3.32Å
111V92.1Very high89.9Confident87 Ų8742 Ų4253%0.52722%0.219SC..Hα-helixtrans-64.1-45.9179.1172.60000111L107 Y108 L113 L114 V115L107-V111 WeakPolarHBondContact O-CG2 3.46Å; L107-V111 PolarHBondContact O-N 3.24Å; Y108-V111 PolarHBondContact O-N 2.81Å; Y108-V111 VanDerWaalsContact O-N 3.15Å; V111-L113 VanDerWaalsContact C-N 3.3Å; V111-L113 PolarHBondContact O-N 2.82Å; V111-L114 PolarHBondContact O-N 3.45Å; V111-L114 VanDerWaalsContact O-N 3.16Å; V111-V115 WeakPolarHBondContact O-CG2 3.49Å; V111-V115 PolarHBondContact O-N 3.49Å
112A89.8Confident89.1Confident9 Ų944.1 Ų44.17%0.07423%0.232CC..Hα-helixtrans-58.6-43.1176.900000111.2K20 Y108 L114 V115 Y116K20-A112 HydrophobicContact CD-CB 4.15Å; Y108-A112 HydrophobicContact CE1-CB 4.26Å; Y108-A112 WeakPolarHBondContact O-CB 3.36Å; Y108-A112 PolarHBondContact O-N 3.33Å; A112-L114 PolarHBondContact O-N 2.89Å; A112-V115 PolarHBondContact O-N 3.39Å; A112-Y116 WeakPolarHBondContact O-CB 3.33Å; A112-Y116 WeakPolarHBondContact O-CD1 3.44Å; A112-Y116 PolarHBondContact O-N 2.94Å
113L89.1Confident88.2Confident21 Ų2144.9 Ų44.911%0.1124%0.235CC..Hα-helixtrans-63.8-40.5176.5-169.467.5000112.1L12 K20 L21 S109 M110 V111 V115 Y116 L117L12-L113 HydrophobicContact CD2-CD1 3.95Å; K20-L113 HydrophobicContact CB-CD1 4.4Å; L21-L113 HydrophobicContact CD1-CD2 4.02Å; S109-L113 WeakPolarHBondContact O-CB 3.2Å; S109-L113 PolarHBondContact O-N 3.18Å; M110-L113 PolarHBondContact O-N 3.37Å; V111-L113 VanDerWaalsContact C-N 3.3Å; V111-L113 PolarHBondContact O-N 2.82Å; L113-V115 VanDerWaalsContact C-N 3.34Å; L113-V115 PolarHBondContact O-N 3.5Å; L113-Y116 CarbonylContact O-C 3.59Å; L113-Y116 PolarHBondContact O-N 2.89Å; L113-L117 HydrophobicContact CG-CD1 4.06Å; L113-L117 HydrophobicContact CG-CG 4.45Å; L113-L117 WeakPolarHBondContact O-CB 3.31Å; L113-L117 VanDerWaalsContact O-CG 3.26Å; L113-L117 WeakPolarHBondContact O-CG 3.45Å; L113-L117 PolarHBondContact O-N 3.05Å
114L89.3Confident87.2Confident84 Ų8447 Ų4744%0.4424%0.24SC..Hα-helixtrans-63.2-40.2174.9-71.8174.7000112.1M110 V111 A112 Y116 L117 G118M110-L114 WeakPolarHBondContact O-CG 3.44Å; M110-L114 PolarHBondContact O-N 3.32Å; V111-L114 PolarHBondContact O-N 3.45Å; V111-L114 VanDerWaalsContact O-N 3.16Å; A112-L114 PolarHBondContact O-N 2.89Å; L114-Y116 VanDerWaalsContact C-N 3.34Å; L114-L117 PolarHBondContact O-N 2.93Å; L114-G118 PolarHBondContact O-N 3.23Å
115V88Confident86.1Confident50 Ų5050 Ų5030%0.30325%0.253SS..Hα-helixtrans-63.4-43174173.20000110.3V111 A112 L113 L117 Y119 M120 Y123V111-V115 WeakPolarHBondContact O-CG2 3.49Å; V111-V115 PolarHBondContact O-N 3.49Å; A112-V115 PolarHBondContact O-N 3.39Å; L113-V115 VanDerWaalsContact C-N 3.34Å; L113-V115 PolarHBondContact O-N 3.5Å; V115-L117 VanDerWaalsContact C-N 3.32Å; V115-L117 PolarHBondContact O-N 3.46Å; V115-Y119 CarbonylContact O-C 3.28Å; V115-Y119 VanDerWaalsContact O-C 3.28Å; V115-Y119 WeakPolarHBondContact O-CA 3.42Å; V115-Y119 PolarHBondContact O-N 3.29Å; V115-M120 PolarHBondContact O-N 3.22Å; V115-Y123 HydrophobicContact CG1-CD2 4.21Å
116Y85.2Confident85.1Confident3 Ų352.7 Ų52.71%0.01227%0.271CS..Hα-helixtrans-69.6-25.2178-65.2-6.3000114P11 L16 K20 A112 L113 L114 M120 Y123 D133P11-Y116 WeakPolarHBondContact CB-O 3.17Å; P11-Y116 VanDerWaalsContact CG-O 3.27Å; P11-Y116 WeakPolarHBondContact CG-O 3.09Å; L16-Y116 HydrophobicContact CD1-CE2 4.49Å; L16-Y116 HydrophobicContact CD2-CE1 4.34Å; L16-Y116 HydrophobicContact CD2-CE2 3.99Å; L16-Y116 HydrophobicContact CG-CD2 4.42Å; L16-Y116 HydrophobicContact CG-CE2 3.69Å; K20-Y116 HydrophobicContact CD-CE2 4.38Å; K20-Y116 HydrophobicContact CG-CD2 4Å; K20-Y116 HydrophobicContact CG-CE2 3.46Å; K20-Y116 VanDerWaalsContact CG-CE2 3.46Å; A112-Y116 WeakPolarHBondContact O-CB 3.33Å; A112-Y116 WeakPolarHBondContact O-CD1 3.44Å; A112-Y116 PolarHBondContact O-N 2.94Å; L113-Y116 CarbonylContact O-C 3.59Å; L113-Y116 PolarHBondContact O-N 2.89Å; L114-Y116 VanDerWaalsContact C-N 3.34Å; Y116-M120 HydrophobicContact CD1-SD 3.97Å; Y116-M120 HydrophobicContact CG-SD 4.25Å; Y116-M120 WeakPolarHBondContact O-CG 3.38Å; Y116-Y123 HydrophobicContact CE1-CD1 4.45Å; Y116-Y123 HydrophobicContact CE1-CD2 4.02Å; Y116-Y123 HydrophobicContact CE1-CE1 4.12Å; Y116-Y123 AromaticContact CE1-CE2 3.64Å; Y116-Y123 HydrophobicContact CE1-CE2 3.64Å; Y116-Y123 HydrophobicContact CE1-CG 4.4Å; Y116-Y123 AromaticContact CE1-CZ 3.68Å; Y116-Y123 PolarHBondContact OH-OH 3.37Å; Y116-D133 PolarHBondContact OH-OD2 2.92Å
117L85.5Confident83.9Confident20 Ų2054.6 Ų54.611%0.10528%0.284CS..Hα-helixtrans-90-34.2177.8-69.9177.1000112.3L7 N8 L9 L12 L113 L114 V115L7-L117 WeakPolarHBondContact CA-O 3.38Å; N8-L117 PolarHBondContact N-O 2.75Å; N8-L117 VanDerWaalsContact O-CD2 3.25Å; N8-L117 WeakPolarHBondContact O-CD2 3.49Å; L9-L117 HydrophobicContact CD2-CD2 4.16Å; L12-L117 HydrophobicContact CD1-CD1 4.49Å; L12-L117 HydrophobicContact CD1-CD2 3.8Å; L12-L117 HydrophobicContact CG-CD2 3.85Å; L113-L117 HydrophobicContact CG-CD1 4.06Å; L113-L117 HydrophobicContact CG-CG 4.45Å; L113-L117 WeakPolarHBondContact O-CB 3.31Å; L113-L117 VanDerWaalsContact O-CG 3.26Å; L113-L117 WeakPolarHBondContact O-CG 3.45Å; L113-L117 PolarHBondContact O-N 3.05Å; L114-L117 PolarHBondContact O-N 2.93Å; V115-L117 VanDerWaalsContact C-N 3.32Å; V115-L117 PolarHBondContact O-N 3.46Å
118G83.1Confident83.2Confident1 Ų156.9 Ų56.91%0.0129%0.29CS..Hα-helixtrans-107.1-27.3-169.600000116F5 R6 L114F5-G118 VanDerWaalsContact CE2-CA 3.4Å; R6-G118 PolarHBondContact N-O 3.26Å; L114-G118 PolarHBondContact O-N 3.23Å
119Y82.9Confident82.7Confident84 Ų8455.9 Ų55.933%0.32929%0.292SS..  trans-134.326.3-165.9-62.4-76.5000113.1T3 F5 V115 H121 V122 Y123T3-Y119 WeakPolarHBondContact O-CE1 3.25Å; F5-Y119 HydrophobicContact CD2-CD2 4.43Å; F5-Y119 AromaticContact CD2-CE2 3.86Å; F5-Y119 HydrophobicContact CD2-CE2 3.86Å; V115-Y119 CarbonylContact O-C 3.28Å; V115-Y119 VanDerWaalsContact O-C 3.28Å; V115-Y119 WeakPolarHBondContact O-CA 3.42Å; V115-Y119 PolarHBondContact O-N 3.29Å; Y119-H121 PolarHBondContact O-N 3.22Å; Y119-H121 VanDerWaalsContact O-N 3.14Å; Y119-V122 HydrophobicContact CD1-CG2 4.35Å; Y119-V122 WeakPolarHBondContact O-CA 3.24Å; Y119-V122 WeakPolarHBondContact O-CB 3.18Å; Y119-V122 PolarHBondContact O-N 2.88Å; Y119-Y123 PolarHBondContact O-N 3.15Å
120M79.5Confident82.3Confident28 Ų2856.4 Ų56.414%0.13830%0.295CS..Hα-helixtrans-56.7-32.1179.1-81-68-81.200114.4P11 V115 Y116 Y123 K124P11-M120 HydrophobicContact CB-CE 4.3Å; P11-M120 HydrophobicContact CB-CG 4.4Å; P11-M120 HydrophobicContact CG-CE 4.31Å; P11-M120 HydrophobicContact CG-CG 3.83Å; V115-M120 PolarHBondContact O-N 3.22Å; Y116-M120 HydrophobicContact CD1-SD 3.97Å; Y116-M120 HydrophobicContact CG-SD 4.25Å; Y116-M120 WeakPolarHBondContact O-CG 3.38Å; M120-Y123 PolarHBondContact O-N 3.45Å; M120-Y123 HydrophobicContact SD-CD1 4.23Å; M120-K124 HydrophobicContact CE-CD 4.45Å; M120-K124 WeakPolarHBondContact O-CB 3.39Å; M120-K124 PolarHBondContact O-N 3.14Å
121H75.7Confident82Confident77 Ų7754.6 Ų54.636%0.35629%0.287SS..Hα-helixtrans-61.7-44.417463.9-77.5000111T3 Y119 K124 D125T3-H121 WeakPolarHBondContact CG2-NE2 3.45Å; Y119-H121 PolarHBondContact O-N 3.22Å; Y119-H121 VanDerWaalsContact O-N 3.14Å; H121-K124 PolarHBondContact O-N 2.59Å; H121-D125 WeakPolarHBondContact O-CB 3.23Å; H121-D125 PolarHBondContact O-N 2.76Å
122V79.3Confident81.8Confident64 Ų6455.4 Ų55.439%0.38828%0.284SS..Hα-helixtrans-68.7-38.2175.8-1730000111.9T3 Y119 K124 S126T3-V122 HydrophobicContact CG2-CG2 3.98Å; Y119-V122 HydrophobicContact CD1-CG2 4.35Å; Y119-V122 WeakPolarHBondContact O-CA 3.24Å; Y119-V122 WeakPolarHBondContact O-CB 3.18Å; Y119-V122 PolarHBondContact O-N 2.88Å; V122-K124 VanDerWaalsContact C-N 3.34Å; V122-S126 PolarHBondContact O-N 3.08Å
123Y77.3Confident81.8Confident15 Ų1555.4 Ų55.46%0.05928%0.282CS..Hα-helixtrans-64.4-37.9178.3-178.4-94.2000112.1L16 V115 Y116 Y119 M120 P130 D133L16-Y123 HydrophobicContact CD2-CE1 4.23Å; V115-Y123 HydrophobicContact CG1-CD2 4.21Å; Y116-Y123 HydrophobicContact CE1-CD1 4.45Å; Y116-Y123 HydrophobicContact CE1-CD2 4.02Å; Y116-Y123 HydrophobicContact CE1-CE1 4.12Å; Y116-Y123 AromaticContact CE1-CE2 3.64Å; Y116-Y123 HydrophobicContact CE1-CE2 3.64Å; Y116-Y123 HydrophobicContact CE1-CG 4.4Å; Y116-Y123 AromaticContact CE1-CZ 3.68Å; Y116-Y123 PolarHBondContact OH-OH 3.37Å; Y119-Y123 PolarHBondContact O-N 3.15Å; M120-Y123 PolarHBondContact O-N 3.45Å; M120-Y123 HydrophobicContact SD-CD1 4.23Å; Y123-P130 HydrophobicContact CD1-CG 4.48Å; Y123-P130 HydrophobicContact CE1-CB 4.49Å; Y123-P130 HydrophobicContact CE1-CG 4.01Å; Y123-P130 WeakPolarHBondContact O-CD 3.03Å; Y123-D133 HydrophobicContact CE2-CB 4.11Å; Y123-D133 PolarHBondContact OH-OD2 3.19Å
124K74.1Confident81.9Confident105 Ų10556.4 Ų56.446%0.45729%0.286SS..Hα-helixtrans-88.4-28.8179-71.4-173.9171.9176.30114.1M120 H121 V122 S126M120-K124 HydrophobicContact CE-CD 4.45Å; M120-K124 WeakPolarHBondContact O-CB 3.39Å; M120-K124 PolarHBondContact O-N 3.14Å; H121-K124 PolarHBondContact O-N 2.59Å; V122-K124 VanDerWaalsContact C-N 3.34Å; K124-S126 VanDerWaalsContact C-N 3.27Å; K124-S126 PolarHBondContact O-N 3.48Å
125D73.7Confident82Confident138 Ų13856.6 Ų56.674%0.73829%0.286SS*.Hα-helixtrans-73.5-18.5-179.4-78.6-17.6000113.1H121H121-D125 WeakPolarHBondContact O-CB 3.23Å; H121-D125 PolarHBondContact O-N 2.76Å
126S72.1Confident82.2Confident56 Ų5656.3 Ų56.339%0.39228%0.282SS..  trans-114.5124.3178.9-172.50000111.9V122 K124 F128 G129 P130V122-S126 PolarHBondContact O-N 3.08Å; K124-S126 VanDerWaalsContact C-N 3.27Å; K124-S126 PolarHBondContact O-N 3.48Å; S126-F128 PolarHBondContact O-N 3Å; S126-G129 PolarHBondContact O-N 3.2Å; S126-P130 WeakPolarHBondContact O-CD 3.49Å
127D70.3Confident82.6Confident88 Ų8856.1 Ų56.147%0.47128%0.282SS..THydrogen-bonded Turntrans-57.9-21.2175-74.6-12.4000112.9I131 R218D127-I131 WeakPolarHBondContact O-CD1 3.37Å; D127-I131 WeakPolarHBondContact O-CG1 3.47Å; D127-R218 WeakPolarHBondContact OD1-CD 3.5Å; D127-R218 IonicContact OD1-NH1 3.94Å; D127-R218 VanDerWaalsContact OD2-CD 3.26Å; D127-R218 WeakPolarHBondContact OD2-CD 3.3Å; D127-R218 IonicContact OD2-CZ 3.79Å; D127-R218 IonicContact OD2-NE 3.97Å; D127-R218 IonicContact OD2-NH1 2.82Å; D127-R218 PolarHBondContact OD2-NH1 3.34Å
128F80.4Confident82.9Confident140 Ų14057 Ų5761%0.61429%0.292SS*.Hα-helixtrans-74.2-33.6-179.1-176.9-101.3000113.4S126 I131 F132S126-F128 PolarHBondContact O-N 3Å; F128-I131 PolarHBondContact O-N 3.06Å; F128-F132 HydrophobicContact CD1-CB 4.38Å; F128-F132 HydrophobicContact CE1-CB 4.03Å; F128-F132 HydrophobicContact CE1-CD2 4.26Å; F128-F132 HydrophobicContact CE1-CG 4.12Å; F128-F132 HydrophobicContact CZ-CB 4.16Å; F128-F132 AromaticContact CZ-CD2 3.92Å; F128-F132 HydrophobicContact CZ-CD2 3.92Å; F128-F132 HydrophobicContact CZ-CG 4.2Å; F128-F132 VanDerWaalsContact O-CB 3.27Å; F128-F132 WeakPolarHBondContact O-CB 3.42Å; F128-F132 PolarHBondContact O-N 3.13Å
129G83.3Confident83.5Confident18 Ų1860.6 Ų60.619%0.18631%0.314CS..Hα-helixtrans-59.8-56.8-173.800000113S126 I131 F132 D133S126-G129 PolarHBondContact O-N 3.2Å; G129-I131 PolarHBondContact O-N 2.86Å; G129-F132 PolarHBondContact O-N 3.23Å; G129-D133 WeakPolarHBondContact O-CB 3.48Å; G129-D133 PolarHBondContact O-N 3.33Å; G129-D133 VanDerWaalsContact O-N 3.09Å
130P84.8Confident84Confident12 Ų1257.1 Ų57.18%0.07830%0.301CS..Hα-helixtrans-65.4-35.1-179.7-23.335000113.6Y123 S126 F134 E216 T217Y123-P130 HydrophobicContact CD1-CG 4.48Å; Y123-P130 HydrophobicContact CE1-CB 4.49Å; Y123-P130 HydrophobicContact CE1-CG 4.01Å; Y123-P130 WeakPolarHBondContact O-CD 3.03Å; S126-P130 WeakPolarHBondContact O-CD 3.49Å; P130-F134 WeakPolarHBondContact O-CB 3.22Å; P130-F134 PolarHBondContact O-N 3.02Å; P130-E216 HydrophobicContact CB-CB 4.29Å; P130-T217 HydrophobicContact CB-CG2 4.33Å
131I85.9Confident84.7Confident46 Ų4656.5 Ų56.524%0.23630%0.3CS..Hα-helixtrans-67.5-45.4178.5-64.6174.7000110.7D127 F128 G129 F134 I135 T217 W219D127-I131 WeakPolarHBondContact O-CD1 3.37Å; D127-I131 WeakPolarHBondContact O-CG1 3.47Å; F128-I131 PolarHBondContact O-N 3.06Å; G129-I131 PolarHBondContact O-N 2.86Å; I131-F134 PolarHBondContact O-N 3.17Å; I131-I135 HydrophobicContact CG2-CD1 4.1Å; I131-I135 WeakPolarHBondContact O-CG1 3.5Å; I131-I135 PolarHBondContact O-N 3.04Å; I131-I135 VanDerWaalsContact O-N 3.09Å; I131-T217 HydrophobicContact CG1-CG2 4.29Å; I131-W219 HydrophobicContact CG2-CH2 4.25Å; I131-W219 HydrophobicContact CG2-CZ2 4.31Å
132F88.5Confident85.7Confident105 Ų10559.3 Ų59.346%0.46131%0.312SS..Hα-helixtrans-63.3-45.8179.3-179.7-105.7000111.7F128 G129 F134 I135 I136F128-F132 HydrophobicContact CD1-CB 4.38Å; F128-F132 HydrophobicContact CE1-CB 4.03Å; F128-F132 HydrophobicContact CE1-CD2 4.26Å; F128-F132 HydrophobicContact CE1-CG 4.12Å; F128-F132 HydrophobicContact CZ-CB 4.16Å; F128-F132 AromaticContact CZ-CD2 3.92Å; F128-F132 HydrophobicContact CZ-CD2 3.92Å; F128-F132 HydrophobicContact CZ-CG 4.2Å; F128-F132 VanDerWaalsContact O-CB 3.27Å; F128-F132 WeakPolarHBondContact O-CB 3.42Å; F128-F132 PolarHBondContact O-N 3.13Å; G129-F132 PolarHBondContact O-N 3.23Å; F132-F134 VanDerWaalsContact C-N 3.31Å; F132-F134 PolarHBondContact O-N 3.36Å; F132-I135 PolarHBondContact O-N 2.91Å; F132-I136 HydrophobicContact CD1-CD1 3.86Å; F132-I136 HydrophobicContact CD2-CD1 4.42Å; F132-I136 HydrophobicContact CE1-CD1 3.26Å; F132-I136 HydrophobicContact CE1-CG1 4.46Å; F132-I136 HydrophobicContact CE2-CD1 3.9Å; F132-I136 HydrophobicContact CG-CD1 4.41Å; F132-I136 HydrophobicContact CZ-CD1 3.31Å; F132-I136 HydrophobicContact CZ-CG1 4.37Å; F132-I136 PolarHBondContact O-N 3.34Å; F132-I136 VanDerWaalsContact O-N 3.07Å
133D90Very high86.4Confident8 Ų858.8 Ų58.84%0.04331%0.306CS..Hα-helixtrans-64.2-35.4176.7169.745000112.2K20 Y108 Y116 Y123 G129 T137 V213K20-D133 IonicContact NZ-OD1 3.57Å; Y108-D133 WeakPolarHBondContact OH-CA 3.48Å; Y108-D133 PolarHBondContact OH-O 3.1Å; Y108-D133 PolarHBondContact OH-OD1 2.83Å; Y116-D133 PolarHBondContact OH-OD2 2.92Å; Y123-D133 HydrophobicContact CE2-CB 4.11Å; Y123-D133 PolarHBondContact OH-OD2 3.19Å; G129-D133 WeakPolarHBondContact O-CB 3.48Å; G129-D133 PolarHBondContact O-N 3.33Å; G129-D133 VanDerWaalsContact O-N 3.09Å; D133-T137 WeakPolarHBondContact O-CB 3.11Å; D133-T137 PolarHBondContact O-N 3.26Å; D133-T137 PolarHBondContact O-OG1 3.46Å; D133-T137 PolarHBondContact OD1-OG1 2.81Å; D133-V213 HydrophobicContact CB-CG1 4.27Å; D133-V213 WeakPolarHBondContact OD2-CG1 3.27Å; D133-V213 WeakPolarHBondContact OD2-CG2 3.46Å
134F90.4Very high87.3Confident42 Ų4258.1 Ų58.118%0.18430%0.303CS..Hα-helixtrans-61.7-48.2173.1176.2-110.1000112P130 I131 F132 I136 T137 A138 A210 V213 Y214 T217 W219P130-F134 WeakPolarHBondContact O-CB 3.22Å; P130-F134 PolarHBondContact O-N 3.02Å; I131-F134 PolarHBondContact O-N 3.17Å; F132-F134 VanDerWaalsContact C-N 3.31Å; F132-F134 PolarHBondContact O-N 3.36Å; F134-I136 PolarHBondContact O-N 2.88Å; F134-T137 PolarHBondContact O-N 3.45Å; F134-A138 WeakPolarHBondContact O-CB 3.32Å; F134-A138 PolarHBondContact O-N 3.39Å; F134-A210 WeakPolarHBondContact CD2-O 3.41Å; F134-A210 HydrophobicContact CE2-CB 4.47Å; F134-A210 WeakPolarHBondContact CE2-O 3.49Å; F134-V213 HydrophobicContact CB-CG1 3.77Å; F134-Y214 HydrophobicContact CE2-CD2 4.24Å; F134-Y214 HydrophobicContact CE2-CG 4.35Å; F134-Y214 HydrophobicContact CZ-CD2 4.13Å; F134-T217 HydrophobicContact CB-CG2 4.03Å; F134-T217 HydrophobicContact CG-CG2 4.44Å; F134-W219 AromaticContact CD1-CZ3 3.83Å; F134-W219 HydrophobicContact CD1-CZ3 3.83Å; F134-W219 AromaticContact CE1-CZ3 3.89Å; F134-W219 HydrophobicContact CE1-CZ3 3.89Å
135I91.7Very high88.3Confident88 Ų8856.6 Ų56.645%0.45130%0.3SS..Hα-helixtrans-61.8-47.4-178.6-67.6168.3000110.4I131 F132 A138 V139I131-I135 HydrophobicContact CG2-CD1 4.1Å; I131-I135 WeakPolarHBondContact O-CG1 3.5Å; I131-I135 PolarHBondContact O-N 3.04Å; I131-I135 VanDerWaalsContact O-N 3.09Å; F132-I135 PolarHBondContact O-N 2.91Å; I135-A138 PolarHBondContact O-N 2.86Å; I135-V139 WeakPolarHBondContact O-CG2 3.08Å; I135-V139 PolarHBondContact O-N 3.22Å
136I93.1Very high89.3Confident44 Ų4452.7 Ų52.723%0.22628%0.281CS..Hα-helixtrans-64.6-44.9178.5-65.1175000110.5Y108 F132 F134 A138 V139 L140Y108-I136 HydrophobicContact CD2-CG2 3.67Å; Y108-I136 HydrophobicContact CE1-CG2 4.24Å; Y108-I136 HydrophobicContact CE2-CB 3.86Å; Y108-I136 HydrophobicContact CE2-CD1 3.91Å; Y108-I136 HydrophobicContact CE2-CG1 4.5Å; Y108-I136 HydrophobicContact CE2-CG2 3.26Å; Y108-I136 HydrophobicContact CG-CG2 4.3Å; F132-I136 HydrophobicContact CD1-CD1 3.86Å; F132-I136 HydrophobicContact CD2-CD1 4.42Å; F132-I136 HydrophobicContact CE1-CD1 3.26Å; F132-I136 HydrophobicContact CE1-CG1 4.46Å; F132-I136 HydrophobicContact CE2-CD1 3.9Å; F132-I136 HydrophobicContact CG-CD1 4.41Å; F132-I136 HydrophobicContact CZ-CD1 3.31Å; F132-I136 HydrophobicContact CZ-CG1 4.37Å; F132-I136 PolarHBondContact O-N 3.34Å; F132-I136 VanDerWaalsContact O-N 3.07Å; F134-I136 PolarHBondContact O-N 2.88Å; I136-A138 VanDerWaalsContact C-N 3.28Å; I136-A138 PolarHBondContact O-N 3.44Å; I136-V139 PolarHBondContact O-N 3.34Å; I136-L140 HydrophobicContact CG2-CD1 3.6Å; I136-L140 HydrophobicContact CG2-CG 3.94Å; I136-L140 WeakPolarHBondContact O-CB 3.39Å; I136-L140 WeakPolarHBondContact O-CG 3.26Å; I136-L140 PolarHBondContact O-N 3.42Å
137T92.4Very high90.5Very high0 Ų050 Ų500%026%0.263CS..Hα-helixtrans-59.6-40178.8-61.90000111.5K20 D133 F134 A141 W206 N209 A210K20-T137 PolarHBondContact NZ-OG1 2.87Å; K20-T137 VanDerWaalsContact NZ-OG1 3.16Å; D133-T137 WeakPolarHBondContact O-CB 3.11Å; D133-T137 PolarHBondContact O-N 3.26Å; D133-T137 PolarHBondContact O-OG1 3.46Å; D133-T137 PolarHBondContact OD1-OG1 2.81Å; F134-T137 PolarHBondContact O-N 3.45Å; T137-A141 VanDerWaalsContact O-CB 3.24Å; T137-A141 WeakPolarHBondContact O-CB 3.33Å; T137-A141 PolarHBondContact O-N 3.07Å; T137-W206 HydrophobicContact CG2-CE3 3.78Å; T137-W206 HydrophobicContact CG2-CZ3 4.03Å; T137-N209 HydrophobicContact CG2-CB 4.33Å; T137-A210 HydrophobicContact CG2-CB 4.05Å
138A92.8Very high91.7Very high39 Ų3946 Ų4632%0.32224%0.241SC..Hα-helixtrans-66.4-44.2175.800000113.1F134 I135 I136 A141 F142F134-A138 WeakPolarHBondContact O-CB 3.32Å; F134-A138 PolarHBondContact O-N 3.39Å; I135-A138 PolarHBondContact O-N 2.86Å; I136-A138 VanDerWaalsContact C-N 3.28Å; I136-A138 PolarHBondContact O-N 3.44Å; A138-A141 PolarHBondContact O-N 2.74Å; A138-F142 PolarHBondContact O-N 3.04Å
139V95.2Very high92.4Very high76 Ų7641.7 Ų41.746%0.46123%0.228SC..Hα-helixtrans-63.9-45.3177.4170.70000110.8I135 I136 F142 L143I135-V139 WeakPolarHBondContact O-CG2 3.08Å; I135-V139 PolarHBondContact O-N 3.22Å; I136-V139 PolarHBondContact O-N 3.34Å; V139-F142 PolarHBondContact O-N 3.34Å; V139-L143 HydrophobicContact CG1-CD1 3.91Å; V139-L143 HydrophobicContact CG1-CG 4.43Å; V139-L143 WeakPolarHBondContact O-CG 3.47Å; V139-L143 PolarHBondContact O-N 3.43Å
140L94.3Very high93Very high11 Ų1142.5 Ų42.56%0.05823%0.233CC..Hα-helixtrans-66-39.9178.4-70.3-179000111.8V104 Y108 I136 F142 L143 W144 W206V104-L140 HydrophobicContact CG1-CD2 3.93Å; Y108-L140 HydrophobicContact CD1-CD1 3.83Å; Y108-L140 HydrophobicContact CD2-CD1 4.22Å; Y108-L140 HydrophobicContact CE1-CD1 4.4Å; Y108-L140 HydrophobicContact CG-CD1 3.68Å; I136-L140 HydrophobicContact CG2-CD1 3.6Å; I136-L140 HydrophobicContact CG2-CG 3.94Å; I136-L140 WeakPolarHBondContact O-CB 3.39Å; I136-L140 WeakPolarHBondContact O-CG 3.26Å; I136-L140 PolarHBondContact O-N 3.42Å; L140-F142 VanDerWaalsContact C-N 3.33Å; L140-F142 PolarHBondContact O-N 3.49Å; L140-L143 PolarHBondContact O-N 3.19Å; L140-W144 WeakPolarHBondContact O-CB 3.39Å; L140-W144 PolarHBondContact O-N 3.4Å; L140-W206 HydrophobicContact CB-CE3 3.95Å; L140-W206 HydrophobicContact CB-CH2 3.91Å; L140-W206 HydrophobicContact CB-CZ3 3.56Å; L140-W206 HydrophobicContact CD1-CH2 3.44Å; L140-W206 VanDerWaalsContact CD1-CH2 3.44Å; L140-W206 HydrophobicContact CD1-CZ2 4.41Å; L140-W206 HydrophobicContact CD1-CZ3 3.71Å; L140-W206 HydrophobicContact CG-CH2 4.33Å; L140-W206 HydrophobicContact CG-CZ3 4.28Å
141A94.4Very high93.6Very high15 Ų1541.9 Ų41.912%0.12423%0.229CC..Hα-helixtrans-59.3-43.917400000112T137 A138 W144 L145 W206T137-A141 VanDerWaalsContact O-CB 3.24Å; T137-A141 WeakPolarHBondContact O-CB 3.33Å; T137-A141 PolarHBondContact O-N 3.07Å; A138-A141 PolarHBondContact O-N 2.74Å; A141-W144 PolarHBondContact O-N 3.17Å; A141-L145 PolarHBondContact O-N 3.4Å; A141-W206 HydrophobicContact CB-CB 3.87Å
142F95Very high94Very high136 Ų13641 Ų4160%0.59623%0.228SC*.Hα-helixtrans-64.3-50.1176.5175.3-100.6000111.9A138 V139 L140 W144 L145 V146A138-F142 PolarHBondContact O-N 3.04Å; V139-F142 PolarHBondContact O-N 3.34Å; L140-F142 VanDerWaalsContact C-N 3.33Å; L140-F142 PolarHBondContact O-N 3.49Å; F142-W144 PolarHBondContact O-N 2.9Å; F142-L145 WeakPolarHBondContact O-CB 3.41Å; F142-L145 PolarHBondContact O-N 2.86Å; F142-V146 HydrophobicContact CD1-CG2 4.39Å; F142-V146 HydrophobicContact CE1-CG2 3.94Å; F142-V146 HydrophobicContact CE2-CG2 4.1Å; F142-V146 HydrophobicContact CZ-CG2 3.78Å; F142-V146 WeakPolarHBondContact O-CG2 3.47Å; F142-V146 PolarHBondContact O-N 3.47Å
143L95Very high94.3Very high53 Ų5341.6 Ų41.628%0.27723%0.231SC..Hα-helixtrans-59.8-38177.7-72172.7000111.7F97 I101 V139 L140 V146 C147F97-L143 HydrophobicContact CZ-CD2 4.46Å; I101-L143 HydrophobicContact CD1-CB 4.12Å; I101-L143 HydrophobicContact CD1-CD1 4.12Å; I101-L143 HydrophobicContact CG2-CB 4.27Å; V139-L143 HydrophobicContact CG1-CD1 3.91Å; V139-L143 HydrophobicContact CG1-CG 4.43Å; V139-L143 WeakPolarHBondContact O-CG 3.47Å; V139-L143 PolarHBondContact O-N 3.43Å; L140-L143 PolarHBondContact O-N 3.19Å; L143-V146 PolarHBondContact O-N 3.36Å; L143-C147 WeakPolarHBondContact O-CB 3.38Å; L143-C147 PolarHBondContact O-N 2.97Å; L143-C147 PolarHBondContact O-SG 3.44Å
144W95.3Very high94.4Very high0 Ų041.4 Ų41.40%023%0.231CC..Hα-helixtrans-64.5-40.7177.3-165.9-80.1000112.4A27 A30 F98 I101 G102 C105 L140 A141 F142 C147 S148 G199 N202A27-W144 HydrophobicContact CB-CH2 4.14Å; A30-W144 HydrophobicContact CB-CH2 4.27Å; A30-W144 HydrophobicContact CB-CZ2 3.9Å; F98-W144 HydrophobicContact CE2-CZ2 4.48Å; I101-W144 HydrophobicContact CG2-CE3 3.81Å; I101-W144 HydrophobicContact CG2-CZ3 4.43Å; G102-W144 VanDerWaalsContact CA-CZ3 3.41Å; C105-W144 HydrophobicContact CB-CE3 3.82Å; C105-W144 HydrophobicContact CB-CZ3 3.61Å; L140-W144 WeakPolarHBondContact O-CB 3.39Å; L140-W144 PolarHBondContact O-N 3.4Å; A141-W144 PolarHBondContact O-N 3.17Å; F142-W144 PolarHBondContact O-N 2.9Å; W144-C147 VanDerWaalsContact CA-SG 3.59Å; W144-C147 PolarHBondContact O-SG 3.42Å; W144-S148 PolarHBondContact NE1-OG 3.28Å; W144-S148 WeakPolarHBondContact O-CB 3.44Å; W144-S148 PolarHBondContact O-N 3.13Å; W144-S148 PolarHBondContact O-OG 3.38Å; W144-G199 PolarHBondContact NE1-O 2.78Å; W144-N202 WeakPolarHBondContact CH2-ND2 3.15Å; W144-N202 HydrophobicContact CZ2-CB 3.77Å; W144-N202 WeakPolarHBondContact CZ2-ND2 3.36Å
145L94.9Very high94.5Very high73 Ų7339.6 Ų39.638%0.38222%0.223SC..Hα-helixtrans-60.8-50173.4177.4144.5000110.9A141 F142 C147 S148 S149 M203A141-L145 PolarHBondContact O-N 3.4Å; F142-L145 WeakPolarHBondContact O-CB 3.41Å; F142-L145 PolarHBondContact O-N 2.86Å; L145-C147 PolarHBondContact O-N 3.48Å; L145-S148 PolarHBondContact O-N 3.18Å; L145-S149 PolarHBondContact O-N 3.18Å; L145-S149 PolarHBondContact O-OG 3.42Å; L145-M203 HydrophobicContact CB-CG 3.94Å; L145-M203 HydrophobicContact CD1-CE 4.49Å; L145-M203 HydrophobicContact CD1-CG 4.3Å; L145-M203 HydrophobicContact CD1-SD 4.19Å; L145-M203 HydrophobicContact CG-CG 4.49Å
146V96.4Very high94.6Very high57 Ų5739.2 Ų39.235%0.34522%0.219SC..Hα-helixtrans-62.3-45-178.5-179.40000110.7F97 F142 L143 S149 A150F97-V146 HydrophobicContact CE1-CB 4.4Å; F97-V146 HydrophobicContact CE1-CG1 4Å; F97-V146 HydrophobicContact CZ-CG1 4.49Å; F142-V146 HydrophobicContact CD1-CG2 4.39Å; F142-V146 HydrophobicContact CE1-CG2 3.94Å; F142-V146 HydrophobicContact CE2-CG2 4.1Å; F142-V146 HydrophobicContact CZ-CG2 3.78Å; F142-V146 WeakPolarHBondContact O-CG2 3.47Å; F142-V146 PolarHBondContact O-N 3.47Å; L143-V146 PolarHBondContact O-N 3.36Å; V146-S149 PolarHBondContact O-N 3.4Å; V146-A150 WeakPolarHBondContact O-CB 3.47Å; V146-A150 PolarHBondContact O-N 3.21Å
147C96.2Very high94.5Very high0 Ų040.1 Ų40.10%023%0.225CC..Hα-helixtrans-69.4-37.6-179.580.20000112.5F97 F98 I101 L143 W144 L145 S149 A150 W151F97-C147 HydrophobicContact CD1-CB 3.45Å; F97-C147 VanDerWaalsContact CD1-CB 3.45Å; F97-C147 VanDerWaalsContact CE1-CA 3.42Å; F97-C147 HydrophobicContact CE1-CB 3.34Å; F97-C147 HydrophobicContact CG-CB 4.11Å; F97-C147 HydrophobicContact CZ-CB 3.92Å; F98-C147 HydrophobicContact CB-CB 4.43Å; F98-C147 HydrophobicContact CD2-CB 4.46Å; I101-C147 HydrophobicContact CB-CB 4.32Å; I101-C147 HydrophobicContact CG1-CB 4.24Å; L143-C147 WeakPolarHBondContact O-CB 3.38Å; L143-C147 PolarHBondContact O-N 2.97Å; L143-C147 PolarHBondContact O-SG 3.44Å; W144-C147 VanDerWaalsContact CA-SG 3.59Å; W144-C147 PolarHBondContact O-SG 3.42Å; L145-C147 PolarHBondContact O-N 3.48Å; C147-S149 PolarHBondContact O-N 2.94Å; C147-A150 PolarHBondContact O-N 3.48Å; C147-W151 WeakPolarHBondContact O-CB 3.41Å; C147-W151 PolarHBondContact O-N 3.49Å
148S95.4Very high94.4Very high2 Ų240.1 Ų40.11%0.01423%0.225CC..Hα-helixtrans-64.4-40.6176.3-63.10000111.5W144 L145 A152W144-S148 PolarHBondContact NE1-OG 3.28Å; W144-S148 WeakPolarHBondContact O-CB 3.44Å; W144-S148 PolarHBondContact O-N 3.13Å; W144-S148 PolarHBondContact O-OG 3.38Å; L145-S148 PolarHBondContact O-N 3.18Å; S148-A152 WeakPolarHBondContact O-CB 3.28Å; S148-A152 PolarHBondContact O-N 3.37Å
149S95.9Very high94.3Very high50 Ų5040.9 Ų40.935%0.3522%0.221SC..Hα-helixtrans-69.4-41.9175-64.20000112.7L145 V146 C147 W151 A152 K153 Y200L145-S149 PolarHBondContact O-N 3.18Å; L145-S149 PolarHBondContact O-OG 3.42Å; V146-S149 PolarHBondContact O-N 3.4Å; C147-S149 PolarHBondContact O-N 2.94Å; S149-W151 VanDerWaalsContact C-N 3.32Å; S149-W151 PolarHBondContact O-N 2.89Å; S149-A152 PolarHBondContact O-N 3.31Å; S149-K153 PolarHBondContact O-N 2.9Å; S149-K153 VanDerWaalsContact O-N 3.1Å; S149-Y200 WeakPolarHBondContact CA-OH 3.42Å; S149-Y200 PolarHBondContact OG-OH 2.88Å
150A95.8Very high94Very high35 Ų3541 Ų4129%0.28922%0.219SC..Hα-helixtrans-59.3-45.1174.900000111A94 F97 V146 C147 K153 G154A94-A150 HydrophobicContact CB-CB 4.37Å; F97-A150 HydrophobicContact CD1-CB 4.49Å; V146-A150 WeakPolarHBondContact O-CB 3.47Å; V146-A150 PolarHBondContact O-N 3.21Å; C147-A150 PolarHBondContact O-N 3.48Å; A150-K153 PolarHBondContact O-N 2.86Å; A150-G154 PolarHBondContact O-N 3.3Å
151W95.9Very high93.6Very high0 Ų041 Ų410%022%0.221CC..Hα-helixtrans-69.3-37.9177.7178.3-128.8000113.1C34 F63 A95 F98 C147 S149 K153 G154 L155 L192 S195C34-W151 VanDerWaalsContact SG-CE2 3.58Å; C34-W151 VanDerWaalsContact SG-CZ2 3.59Å; F63-W151 AromaticContact CD2-CH2 3.65Å; F63-W151 HydrophobicContact CD2-CH2 3.65Å; F63-W151 AromaticContact CD2-CZ3 3.84Å; F63-W151 HydrophobicContact CD2-CZ3 3.84Å; F63-W151 HydrophobicContact CE1-CH2 4.48Å; F63-W151 AromaticContact CE2-CH2 3.29Å; F63-W151 HydrophobicContact CE2-CH2 3.29Å; F63-W151 HydrophobicContact CE2-CZ2 4.06Å; F63-W151 AromaticContact CE2-CZ3 3.9Å; F63-W151 HydrophobicContact CE2-CZ3 3.9Å; F63-W151 HydrophobicContact CG-CH2 4.39Å; F63-W151 AromaticContact CZ-CH2 3.79Å; F63-W151 HydrophobicContact CZ-CH2 3.79Å; F63-W151 HydrophobicContact CZ-CZ2 4.35Å; A95-W151 HydrophobicContact CB-CE3 3.85Å; A95-W151 HydrophobicContact CB-CH2 4.41Å; A95-W151 HydrophobicContact CB-CZ3 3.66Å; F98-W151 HydrophobicContact CB-CB 3.73Å; F98-W151 HydrophobicContact CB-CG 4.12Å; F98-W151 HydrophobicContact CD1-CB 4.32Å; F98-W151 AromaticContact CD1-CD1 3.58Å; F98-W151 AromaticContact CD1-CG 3.94Å; F98-W151 HydrophobicContact CD1-CG 3.94Å; F98-W151 HydrophobicContact CD2-CB 4.01Å; F98-W151 HydrophobicContact CD2-CG 4.4Å; F98-W151 AromaticContact CE1-CD1 3.66Å; F98-W151 HydrophobicContact CE1-CG 4.44Å; F98-W151 HydrophobicContact CG-CB 3.77Å; F98-W151 AromaticContact CG-CD1 3.88Å; F98-W151 AromaticContact CG-CG 3.9Å; F98-W151 HydrophobicContact CG-CG 3.9Å; C147-W151 WeakPolarHBondContact O-CB 3.41Å; C147-W151 PolarHBondContact O-N 3.49Å; S149-W151 VanDerWaalsContact C-N 3.32Å; S149-W151 PolarHBondContact O-N 2.89Å; W151-K153 VanDerWaalsContact C-N 3.28Å; W151-K153 PolarHBondContact O-N 2.87Å; W151-G154 PolarHBondContact O-N 3.4Å; W151-G154 VanDerWaalsContact O-N 3.16Å; W151-L155 HydrophobicContact CH2-CB 4.36Å; W151-L155 HydrophobicContact CZ2-CB 4.19Å; W151-L155 HydrophobicContact CZ2-CD1 4.36Å; W151-L155 WeakPolarHBondContact O-CB 2.9Å; W151-L155 PolarHBondContact O-N 2.92Å; W151-L192 HydrophobicContact CZ2-CD2 3.97Å; W151-S195 PolarHBondContact NE1-OG 3.15Å
152A95.1Very high93.2Very high26 Ų2640.4 Ų40.422%0.21522%0.216CC..Hα-helixtrans-57.4-42.5173.600000111.8S148 S149 Q156 V196 Y200S148-A152 WeakPolarHBondContact O-CB 3.28Å; S148-A152 PolarHBondContact O-N 3.37Å; S149-A152 PolarHBondContact O-N 3.31Å; A152-Q156 PolarHBondContact O-N 3.5Å; A152-V196 HydrophobicContact CB-CG1 3.86Å; A152-Y200 HydrophobicContact CB-CE2 4.07Å
153K94.6Very high92.8Very high118 Ų11837.1 Ų37.151%0.51320%0.204SC..Hα-helixtrans-70.4-41.1173.9-178.553.3177.7147.10112.2S149 A150 W151 L155 Q156 N157S149-K153 PolarHBondContact O-N 2.9Å; S149-K153 VanDerWaalsContact O-N 3.1Å; A150-K153 PolarHBondContact O-N 2.86Å; W151-K153 VanDerWaalsContact C-N 3.28Å; W151-K153 PolarHBondContact O-N 2.87Å; K153-L155 VanDerWaalsContact C-N 3.34Å; K153-L155 PolarHBondContact O-N 3.28Å; K153-Q156 PolarHBondContact O-N 2.96Å; K153-N157 VanDerWaalsContact CE-OD1 3.25Å; K153-N157 WeakPolarHBondContact CE-OD1 3.4Å; K153-N157 PolarHBondContact NZ-OD1 3.44Å; K153-N157 PolarHBondContact O-N 3.07Å; K153-N157 PolarHBondContact O-OD1 3.33Å
154G93.1Very high92.3Very high4 Ų436.3 Ų36.34%0.04120%0.201CC..Hα-helixtrans-57.4-45.6175.300000112.2S91 A150 W151 Q156 N157 V158S91-G154 PolarHBondContact OG-O 2.93Å; A150-G154 PolarHBondContact O-N 3.3Å; W151-G154 PolarHBondContact O-N 3.4Å; W151-G154 VanDerWaalsContact O-N 3.16Å; G154-Q156 VanDerWaalsContact C-N 3.32Å; G154-Q156 PolarHBondContact O-N 3.09Å; G154-N157 WeakPolarHBondContact O-CB 3.39Å; G154-N157 PolarHBondContact O-N 3.28Å; G154-N157 VanDerWaalsContact O-N 3.15Å; G154-V158 WeakPolarHBondContact O-CG2 3.44Å; G154-V158 PolarHBondContact O-N 2.97Å
155L92.8Very high91.7Very high4 Ų442.3 Ų42.32%0.02123%0.234CC..Hα-helixtrans-61.2-40.4175.5178.457.3000112.1W151 K153 N157 V158 K159 L192 V196W151-L155 HydrophobicContact CH2-CB 4.36Å; W151-L155 HydrophobicContact CZ2-CB 4.19Å; W151-L155 HydrophobicContact CZ2-CD1 4.36Å; W151-L155 WeakPolarHBondContact O-CB 2.9Å; W151-L155 PolarHBondContact O-N 2.92Å; K153-L155 VanDerWaalsContact C-N 3.34Å; K153-L155 PolarHBondContact O-N 3.28Å; L155-N157 VanDerWaalsContact C-N 3.34Å; L155-V158 PolarHBondContact O-N 3.41Å; L155-K159 HydrophobicContact CG-CD 4.49Å; L155-K159 WeakPolarHBondContact O-CG 3.42Å; L155-K159 PolarHBondContact O-N 3.16Å; L155-L192 HydrophobicContact CD1-CB 3.5Å; L155-L192 VanDerWaalsContact CD1-CB 3.5Å; L155-L192 HydrophobicContact CD1-CD1 3.6Å; L155-L192 HydrophobicContact CD1-CG 4.16Å; L155-L192 HydrophobicContact CD2-CB 3.94Å; L155-L192 HydrophobicContact CG-CB 4.38Å; L155-V196 HydrophobicContact CB-CG2 4.43Å; L155-V196 HydrophobicContact CD2-CG2 3.62Å
156Q92.5Very high91.1Very high80 Ų8039.8 Ų39.837%0.37423%0.225SC..Hα-helixtrans-63-43.1175.3-168.459.64400111.2A152 K153 G154 V158 K159 D160A152-Q156 PolarHBondContact O-N 3.5Å; K153-Q156 PolarHBondContact O-N 2.96Å; G154-Q156 VanDerWaalsContact C-N 3.32Å; G154-Q156 PolarHBondContact O-N 3.09Å; Q156-V158 VanDerWaalsContact C-N 3.29Å; Q156-V158 PolarHBondContact O-N 2.77Å; Q156-K159 WeakPolarHBondContact O-CB 3.48Å; Q156-K159 PolarHBondContact O-N 3.33Å; Q156-K159 VanDerWaalsContact O-N 3.16Å; Q156-D160 PolarHBondContact NE2-OD1 2.94Å; Q156-D160 PolarHBondContact O-N 3.5Å
157N91.7Very high90.3Very high64 Ų6437.2 Ų37.234%0.34221%0.209SC..Hα-helixtrans-61.6-37.4175.7-62.5-12.2000112.1K153 G154 L155 A161K153-N157 VanDerWaalsContact CE-OD1 3.25Å; K153-N157 WeakPolarHBondContact CE-OD1 3.4Å; K153-N157 PolarHBondContact NZ-OD1 3.44Å; K153-N157 PolarHBondContact O-N 3.07Å; K153-N157 PolarHBondContact O-OD1 3.33Å; G154-N157 WeakPolarHBondContact O-CB 3.39Å; G154-N157 PolarHBondContact O-N 3.28Å; G154-N157 VanDerWaalsContact O-N 3.15Å; L155-N157 VanDerWaalsContact C-N 3.34Å; N157-A161 WeakPolarHBondContact O-CB 3.43Å; N157-A161 PolarHBondContact O-N 2.95Å
158V90.1Very high89.6Confident0 Ų038.8 Ų38.80%022%0.22CC..Hα-helixtrans-64.6-43.6174.6173.40000110.9F59 F63 L65 G154 L155 Q156 A161 T162 M189F59-V158 HydrophobicContact CD2-CG1 4.36Å; F59-V158 HydrophobicContact CE2-CG1 4.21Å; F63-V158 HydrophobicContact CB-CG2 3.95Å; F63-V158 HydrophobicContact CD1-CG1 4.22Å; F63-V158 HydrophobicContact CD1-CG2 4.16Å; F63-V158 HydrophobicContact CG-CG2 4.12Å; L65-V158 HydrophobicContact CD1-CG2 4.14Å; G154-V158 WeakPolarHBondContact O-CG2 3.44Å; G154-V158 PolarHBondContact O-N 2.97Å; L155-V158 PolarHBondContact O-N 3.41Å; Q156-V158 VanDerWaalsContact C-N 3.29Å; Q156-V158 PolarHBondContact O-N 2.77Å; V158-A161 PolarHBondContact O-N 2.84Å; V158-T162 HydrophobicContact CG1-CG2 4.48Å; V158-T162 WeakPolarHBondContact O-CB 3.03Å; V158-T162 VanDerWaalsContact O-CG2 3.29Å; V158-T162 WeakPolarHBondContact O-CG2 3.41Å; V158-T162 PolarHBondContact O-N 2.87Å; V158-T162 VanDerWaalsContact O-N 3.08Å; V158-T162 PolarHBondContact O-OG1 3.18Å; V158-M189 HydrophobicContact CG1-CE 4.2Å
159K90.2Very high88.8Confident55 Ų5541.3 Ų41.324%0.23925%0.247CC..Hα-helixtrans-60.6-51.3175.3-74.2170.3179.9178.70111.4L155 Q156 A161 T162 D163 M189 N193L155-K159 HydrophobicContact CG-CD 4.49Å; L155-K159 WeakPolarHBondContact O-CG 3.42Å; L155-K159 PolarHBondContact O-N 3.16Å; Q156-K159 WeakPolarHBondContact O-CB 3.48Å; Q156-K159 PolarHBondContact O-N 3.33Å; Q156-K159 VanDerWaalsContact O-N 3.16Å; K159-A161 VanDerWaalsContact C-N 3.29Å; K159-A161 PolarHBondContact O-N 3.11Å; K159-T162 CarbonylContact O-C 3.51Å; K159-T162 PolarHBondContact O-N 2.64Å; K159-T162 VanDerWaalsContact O-N 3.14Å; K159-T162 PolarHBondContact O-OG1 3.5Å; K159-D163 WeakPolarHBondContact O-CB 3.21Å; K159-D163 PolarHBondContact O-N 3.02Å; K159-M189 HydrophobicContact CB-SD 4.5Å; K159-M189 HydrophobicContact CG-CE 4.41Å; K159-M189 HydrophobicContact CG-SD 3.46Å; K159-M189 WeakPolarHBondContact CG-SD 3.25Å; K159-N193 WeakPolarHBondContact CE-OD1 3.11Å; K159-N193 PolarHBondContact NZ-OD1 3.48Å
160D89.1Confident87.8Confident77 Ų7740.4 Ų40.441%0.41224%0.239SC..Hα-helixtrans-61.3-39.2-178-60.4-18000111.2Q156 G166Q156-D160 PolarHBondContact NE2-OD1 2.94Å; Q156-D160 PolarHBondContact O-N 3.5Å; D160-G166 WeakPolarHBondContact O-CA 3.49Å
161A85.8Confident87Confident13 Ų1338.8 Ų38.811%0.10723%0.226CC..Hα-helixtrans-71.9-26.5178.400000114.2L65 M88 N157 V158 K159L65-A161 HydrophobicContact CD1-CB 4.01Å; M88-A161 VanDerWaalsContact O-CB 3.25Å; M88-A161 WeakPolarHBondContact O-CB 3.41Å; N157-A161 WeakPolarHBondContact O-CB 3.43Å; N157-A161 PolarHBondContact O-N 2.95Å; V158-A161 PolarHBondContact O-N 2.84Å; K159-A161 VanDerWaalsContact C-N 3.29Å; K159-A161 PolarHBondContact O-N 3.11Å
162T86.1Confident85.9Confident2 Ų242.7 Ų42.71%0.01226%0.258CS..Hα-helixtrans-103.8-0.7-176.359.20000113.1N41 F59 L65 L87 V158 K159 I167 M189N41-T162 WeakPolarHBondContact ND2-CB 3.47Å; N41-T162 PolarHBondContact ND2-O 3.44Å; F59-T162 HydrophobicContact CD1-CG2 4.08Å; F59-T162 HydrophobicContact CE1-CG2 3.92Å; F59-T162 HydrophobicContact CZ-CG2 4.23Å; L65-T162 HydrophobicContact CD2-CG2 3.91Å; L87-T162 HydrophobicContact CD2-CG2 4.25Å; V158-T162 HydrophobicContact CG1-CG2 4.48Å; V158-T162 WeakPolarHBondContact O-CB 3.03Å; V158-T162 VanDerWaalsContact O-CG2 3.29Å; V158-T162 WeakPolarHBondContact O-CG2 3.41Å; V158-T162 PolarHBondContact O-N 2.87Å; V158-T162 VanDerWaalsContact O-N 3.08Å; V158-T162 PolarHBondContact O-OG1 3.18Å; K159-T162 CarbonylContact O-C 3.51Å; K159-T162 PolarHBondContact O-N 2.64Å; K159-T162 VanDerWaalsContact O-N 3.14Å; K159-T162 PolarHBondContact O-OG1 3.5Å; T162-I167 VanDerWaalsContact O-CD1 3.3Å; T162-I167 WeakPolarHBondContact O-CD1 3.42Å; T162-M189 WeakPolarHBondContact OG1-CE 3.2Å
163D86.4Confident84.9Confident67 Ų6742.4 Ų42.436%0.35825%0.253SS..SBendtrans-77.1166171.9-164.215.7000111.5K159 D165 G166 I167K159-D163 WeakPolarHBondContact O-CB 3.21Å; K159-D163 PolarHBondContact O-N 3.02Å; D163-D165 VanDerWaalsContact C-N 3.28Å; D163-D165 PolarHBondContact O-N 2.93Å; D163-G166 PolarHBondContact O-N 3.35Å; D163-G166 VanDerWaalsContact O-N 3.1Å; D163-I167 PolarHBondContact O-N 2.73Å
164T84.6Confident84Confident35 Ų3538 Ų3822%0.21524%0.237CC..Hα-helixtrans-56.8-40.9-179.7-610000112S168 C181 V183T164-S168 VanDerWaalsContact O-CB 3.22Å; T164-S168 WeakPolarHBondContact O-CB 3.14Å; T164-S168 PolarHBondContact O-N 3.38Å; T164-S168 PolarHBondContact O-OG 2.66Å; T164-C181 WeakPolarHBondContact CG2-O 3.41Å; T164-V183 PolarHBondContact OG1-N 2.9Å
165D83.4Confident83.1Confident127 Ų12746.4 Ų46.468%0.67927%0.272SS*.Hα-helixtrans-68.4-38.2177.2-72.2-17000112.2D163 S168 G169D163-D165 VanDerWaalsContact C-N 3.28Å; D163-D165 PolarHBondContact O-N 2.93Å; D165-S168 WeakPolarHBondContact CA-OG 3.49Å; D165-S168 PolarHBondContact O-OG 3.34Å; D165-S168 VanDerWaalsContact O-OG 3.07Å; D165-G169 PolarHBondContact O-N 2.92Å
166G81.4Confident81.7Confident19 Ų1949.4 Ų49.420%0.19630%0.304CS..Hα-helixtrans-67.3-43.2176.300000112.7D160 D163 G169 T170D160-G166 WeakPolarHBondContact O-CA 3.49Å; D163-G166 PolarHBondContact O-N 3.35Å; D163-G166 VanDerWaalsContact O-N 3.1Å; G166-G169 PolarHBondContact O-N 3.44Å; G166-T170 WeakPolarHBondContact O-CB 3.42Å; G166-T170 PolarHBondContact O-N 3.17Å; G166-T170 PolarHBondContact O-OG1 3.42Å
167I81.3Confident80.5Confident3 Ų348 Ų482%0.01530%0.301CS..Hα-helixtrans-71.2-43.2179.5-72.2163000111.1V43 L87 T162 D163 G169 T170 L171 V183V43-I167 HydrophobicContact CG1-CG2 3.79Å; V43-I167 HydrophobicContact CG2-CD1 3.78Å; V43-I167 HydrophobicContact CG2-CG2 4.13Å; L87-I167 HydrophobicContact CD2-CG1 4.39Å; T162-I167 VanDerWaalsContact O-CD1 3.3Å; T162-I167 WeakPolarHBondContact O-CD1 3.42Å; D163-I167 PolarHBondContact O-N 2.73Å; I167-G169 VanDerWaalsContact C-N 3.26Å; I167-G169 PolarHBondContact O-N 3.27Å; I167-T170 PolarHBondContact O-N 3Å; I167-L171 PolarHBondContact O-N 3.43Å; I167-V183 HydrophobicContact CD1-CG2 3.4Å
168S80.5Confident79.7Confident33 Ų3352 Ų5223%0.23132%0.322CS..Hα-helixtrans-64.6-31.4175.362.70000112.4T164 D165 T170T164-S168 VanDerWaalsContact O-CB 3.22Å; T164-S168 WeakPolarHBondContact O-CB 3.14Å; T164-S168 PolarHBondContact O-N 3.38Å; T164-S168 PolarHBondContact O-OG 2.66Å; D165-S168 WeakPolarHBondContact CA-OG 3.49Å; D165-S168 PolarHBondContact O-OG 3.34Å; D165-S168 VanDerWaalsContact O-OG 3.07Å; S168-T170 VanDerWaalsContact C-N 3.35Å
169G77.9Confident79.3Confident56 Ų5652.5 Ų52.558%0.57733%0.325SS*.Hα-helixtrans-69.5-29.7170.700000113.9D165 G166 I167D165-G169 PolarHBondContact O-N 2.92Å; G166-G169 PolarHBondContact O-N 3.44Å; I167-G169 VanDerWaalsContact C-N 3.26Å; I167-G169 PolarHBondContact O-N 3.27Å
170T76.2Confident78.9Confident31 Ų3154.5 Ų54.519%0.1934%0.342CS..Hα-helixtrans-83.7-38.4-178.7-56.80000112.1L70 H86 G166 I167 S168L70-T170 HydrophobicContact CD1-CG2 4.07Å; H86-T170 WeakPolarHBondContact O-CG2 3.42Å; G166-T170 WeakPolarHBondContact O-CB 3.42Å; G166-T170 PolarHBondContact O-N 3.17Å; G166-T170 PolarHBondContact O-OG1 3.42Å; I167-T170 PolarHBondContact O-N 3Å; S168-T170 VanDerWaalsContact C-N 3.35Å
171L77.4Confident78.7Confident1 Ų151.6 Ų51.61%0.00533%0.328CS..  trans-86.8110.8176.4-98.567.5000110.9L45 L55 L70 I167 L173 C174L45-L171 HydrophobicContact CD2-CD2 4.19Å; L55-L171 HydrophobicContact CD1-CD2 4.31Å; L70-L171 HydrophobicContact CD1-CD1 3.87Å; I167-L171 PolarHBondContact O-N 3.43Å; L171-L173 PolarHBondContact O-N 3.44Å; L171-C174 HydrophobicContact CB-CB 4.48Å; L171-C174 WeakPolarHBondContact CB-SG 3.27Å; L171-C174 WeakPolarHBondContact O-CB 3.41Å; L171-C174 PolarHBondContact O-N 3.27Å
172A73.6Confident78.7Confident82 Ų8255.7 Ų55.768%0.67835%0.345SS*.Hα-helixtrans-56.4-26.6176.700000113.8C174 K175 G176A172-C174 VanDerWaalsContact C-N 3.33Å; A172-C174 PolarHBondContact O-N 3.21Å; A172-K175 PolarHBondContact O-N 3.44Å; A172-G176 PolarHBondContact O-N 2.64Å
173L74.3Confident78.6Confident20 Ų2055.9 Ų55.911%0.10535%0.346CS..Hα-helixtrans-63.3-37.4177.2-64.5134.8000112.7H80 V82 L171 K175 T177H80-L173 HydrophobicContact CB-CD2 3.43Å; H80-L173 VanDerWaalsContact CB-CD2 3.43Å; V82-L173 HydrophobicContact CB-CD1 4.04Å; V82-L173 HydrophobicContact CG1-CD1 3.59Å; V82-L173 HydrophobicContact CG2-CD1 3.25Å; V82-L173 HydrophobicContact CG2-CD2 4.1Å; V82-L173 HydrophobicContact CG2-CG 4.21Å; L171-L173 PolarHBondContact O-N 3.44Å; L173-K175 PolarHBondContact O-N 3.3Å; L173-T177 WeakPolarHBondContact CA-OG1 3.41Å; L173-T177 PolarHBondContact O-N 3.1Å; L173-T177 PolarHBondContact O-OG1 3.04Å
174C76Confident78.5Confident26 Ų2656 Ų5618%0.17635%0.349CS..Hα-helixtrans-72.2-19.5-177.9-47.80000111.9L171 A172 C181L171-C174 HydrophobicContact CB-CB 4.48Å; L171-C174 WeakPolarHBondContact CB-SG 3.27Å; L171-C174 WeakPolarHBondContact O-CB 3.41Å; L171-C174 PolarHBondContact O-N 3.27Å; A172-C174 VanDerWaalsContact C-N 3.33Å; A172-C174 PolarHBondContact O-N 3.21Å; C174-C181 HydrophobicContact CB-CB 3.75Å; C174-C181 WeakPolarHBondContact CB-SG 3.45Å; C174-C181 WeakPolarHBondContact SG-CB 3.37Å; C174-C181 CovalentContact SG-SG 2Å; C174-C181 PolarHBondContact SG-SG 3.39Å
175K73.3Confident78.5Confident180 Ų18059.1 Ų59.178%0.78336%0.364SS*.Hα-helixtrans-101.1-30.9-177.2-162177.4-176.6176.90113.4A172 L173A172-K175 PolarHBondContact O-N 3.44Å; L173-K175 PolarHBondContact O-N 3.3Å
176G64.7Low78.7Confident67 Ų6758.2 Ų58.269%0.69136%0.355SS*.Hα-helixtrans-109.5-12-170.200000116A172A172-G176 PolarHBondContact O-N 2.64Å
177T67.7Low78.9Confident49 Ų4957.9 Ų57.930%0.30135%0.35SS..SBendtrans-128.7164.9-174.836.40000112L173 V179L173-T177 WeakPolarHBondContact CA-OG1 3.41Å; L173-T177 PolarHBondContact O-N 3.1Å; L173-T177 PolarHBondContact O-OG1 3.04Å; T177-V179 PolarHBondContact O-N 2.91Å
178N74.8Confident79.1Confident150 Ų15062.3 Ų62.380%0.80237%0.373SS*.SBendtrans-7545.2178-158.119.3000111.9G48G48-N178 PolarHBondContact N-O 3.4Å
179V80.4Confident79.5Confident10 Ų1061.9 Ų61.96%0.06137%0.368CS..EExtended strand (participates in β ladder)trans-120.3116.8-178.6178.60000107.3L45 F46 C78 T177L45-V179 HydrophobicContact CB-CG1 4.42Å; F46-V179 WeakPolarHBondContact O-CA 3.34Å; C78-V179 HydrophobicContact CB-CG2 3.83Å; C78-V179 VanDerWaalsContact SG-CG1 3.57Å; T177-V179 PolarHBondContact O-N 2.91Å
180T83.1Confident80Confident96 Ų9668.2 Ų68.259%0.58938%0.375SS*.EExtended strand (participates in β ladder)trans-90.4131.9174.2370000109.8F46F46-T180 WeakPolarHBondContact CB-OG1 3.47Å; F46-T180 PolarHBondContact N-O 3.24Å; F46-T180 PolarHBondContact O-N 3.26Å
181C83.7Confident80.7Confident16 Ų1669.4 Ų69.411%0.10838%0.382CS..EExtended strand (participates in β ladder)trans-113.9126.9-179.6-53.60000108.8S44 L45 T164 C174S44-C181 WeakPolarHBondContact O-CA 3.43Å; L45-C181 HydrophobicContact CD2-CB 3.85Å; L45-C181 WeakPolarHBondContact CD2-SG 3.36Å; T164-C181 WeakPolarHBondContact CG2-O 3.41Å; C174-C181 HydrophobicContact CB-CB 3.75Å; C174-C181 WeakPolarHBondContact CB-SG 3.45Å; C174-C181 WeakPolarHBondContact SG-CB 3.37Å; C174-C181 CovalentContact SG-SG 2Å; C174-C181 PolarHBondContact SG-SG 3.39Å
182E85.7Confident81.4Confident100 Ų10069.3 Ų69.347%0.46738%0.381SS..EExtended strand (participates in β ladder)trans-137.2138.6-178.1-169.8178.4178.300109.8V43 S44 F46 T184V43-E182 CarbonylContact C-O 3.6Å; S44-E182 PolarHBondContact N-O 3.18Å; S44-E182 PolarHBondContact O-N 3.43Å; F46-E182 HydrophobicContact CE2-CB 4.06Å; E182-T184 PolarHBondContact O-N 3.37Å
183V84.4Confident82.4Confident5 Ų568.4 Ų68.43%0.0337%0.365CS..EExtended strand (participates in β ladder)trans-80.6107.5170.1-176.90000107.9N41 V42 V43 T164 I167 D185 F186N41-V183 HydrophobicContact CB-CG1 4.13Å; V42-V183 CarbonylContact O-C 3.54Å; V42-V183 WeakPolarHBondContact O-CA 3.49Å; V43-V183 HydrophobicContact CG2-CG2 4.47Å; T164-V183 PolarHBondContact OG1-N 2.9Å; I167-V183 HydrophobicContact CD1-CG2 3.4Å; V183-D185 WeakPolarHBondContact CG1-O 3.44Å; V183-F186 HydrophobicContact CB-CD1 4.49Å; V183-F186 HydrophobicContact CB-CE1 3.89Å; V183-F186 HydrophobicContact CB-CE2 4.29Å; V183-F186 HydrophobicContact CB-CZ 3.78Å; V183-F186 HydrophobicContact CG1-CD1 3.74Å; V183-F186 HydrophobicContact CG1-CD2 4.22Å; V183-F186 HydrophobicContact CG1-CE1 3.64Å; V183-F186 HydrophobicContact CG1-CE2 4.12Å; V183-F186 HydrophobicContact CG1-CG 4.04Å; V183-F186 HydrophobicContact CG1-CZ 3.84Å; V183-F186 WeakPolarHBondContact O-CE2 3.48Å
184T84.4Confident83.2Confident71 Ų7171.2 Ų71.244%0.43638%0.379SS..EExtended strand (participates in β ladder)trans-89.2-27.5-176.351.10000112.9V42 S44 E182V42-T184 PolarHBondContact O-N 3.2Å; V42-T184 PolarHBondContact O-OG1 2.93Å; S44-T184 VanDerWaalsContact CB-CG2 3.5Å; S44-T184 WeakPolarHBondContact OG-CG2 3.44Å; S44-T184 PolarHBondContact OG-OG1 3.26Å; E182-T184 PolarHBondContact O-N 3.37Å
185D84.8Confident84.1Confident99 Ų9970 Ų7053%0.52937%0.371SS..EExtended strand (participates in β ladder)trans-130.6128.4172.7-159.6-5.5000110.6N41 V42 V183N41-D185 CarbonylContact C-O 3.57Å; N41-D185 VanDerWaalsContact CA-O 3.29Å; N41-D185 WeakPolarHBondContact CA-O 3.45Å; V42-D185 HydrophobicContact CB-CB 3.8Å; V42-D185 HydrophobicContact CG2-CB 3.85Å; V42-D185 PolarHBondContact N-O 3.17Å; V42-D185 PolarHBondContact O-N 3.08Å; V183-D185 WeakPolarHBondContact CG1-O 3.44Å
186F86.2Confident85.1Confident109 Ų10962.4 Ų62.448%0.47834%0.34SS..  trans-103.3133.2-178.5-69.3-90.6000109.8V183 N188V183-F186 HydrophobicContact CB-CD1 4.49Å; V183-F186 HydrophobicContact CB-CE1 3.89Å; V183-F186 HydrophobicContact CB-CE2 4.29Å; V183-F186 HydrophobicContact CB-CZ 3.78Å; V183-F186 HydrophobicContact CG1-CD1 3.74Å; V183-F186 HydrophobicContact CG1-CD2 4.22Å; V183-F186 HydrophobicContact CG1-CE1 3.64Å; V183-F186 HydrophobicContact CG1-CE2 4.12Å; V183-F186 HydrophobicContact CG1-CG 4.04Å; V183-F186 HydrophobicContact CG1-CZ 3.84Å; V183-F186 WeakPolarHBondContact O-CE2 3.48Å; F186-N188 PolarHBondContact O-N 2.8Å
187A86.4Confident86.5Confident11 Ų1163.8 Ų63.89%0.09134%0.335CS..  trans-54.7142.5169.100000110.4T40 N41 F59 M189T40-A187 PolarHBondContact O-N 3.32Å; N41-A187 WeakPolarHBondContact OD1-CB 3.4Å; N41-A187 PolarHBondContact OD1-N 2.86Å; F59-A187 HydrophobicContact CE1-CB 4.07Å; F59-A187 HydrophobicContact CZ-CB 3.63Å; A187-M189 VanDerWaalsContact C-N 3.31Å; A187-M189 WeakPolarHBondContact O-CG 3.1Å; A187-M189 PolarHBondContact O-N 2.93Å
188N86.6Confident87.8Confident96 Ų9664.2 Ų64.251%0.51333%0.333SS..  trans-70.283.2-179.8-175.71.7000112F37 F186 R190F37-N188 WeakPolarHBondContact CE2-O 3.35Å; F186-N188 PolarHBondContact O-N 2.8Å; N188-R190 PolarHBondContact O-N 2.83Å; N188-R190 VanDerWaalsContact O-N 3.08Å; N188-R190 WeakPolarHBondContact OD1-CB 3.26Å; N188-R190 VanDerWaalsContact OD1-CD 3.31Å; N188-R190 WeakPolarHBondContact OD1-CD 3.18Å; N188-R190 WeakPolarHBondContact OD1-CG 3.38Å; N188-R190 PolarHBondContact OD1-N 3.02Å
189M87.7Confident88.7Confident25 Ų2557.1 Ų57.112%0.12329%0.294CS..THydrogen-bonded Turntrans-73.45.3179.7-63.2-158.6173.400114.4F59 V158 K159 T162 A187 T191 L192 N193F59-M189 HydrophobicContact CE2-CE 3.8Å; F59-M189 HydrophobicContact CZ-CE 3.51Å; V158-M189 HydrophobicContact CG1-CE 4.2Å; K159-M189 HydrophobicContact CB-SD 4.5Å; K159-M189 HydrophobicContact CG-CE 4.41Å; K159-M189 HydrophobicContact CG-SD 3.46Å; K159-M189 WeakPolarHBondContact CG-SD 3.25Å; T162-M189 WeakPolarHBondContact OG1-CE 3.2Å; A187-M189 VanDerWaalsContact C-N 3.31Å; A187-M189 WeakPolarHBondContact O-CG 3.1Å; A187-M189 PolarHBondContact O-N 2.93Å; M189-T191 VanDerWaalsContact C-N 3.26Å; M189-T191 PolarHBondContact O-N 3.36Å; M189-L192 PolarHBondContact O-N 2.98Å; M189-L192 VanDerWaalsContact O-N 3.14Å; M189-N193 PolarHBondContact O-N 3.09Å; M189-N193 PolarHBondContact O-ND2 3.08Å; M189-N193 VanDerWaalsContact O-ND2 3.13Å
190R89.3Confident89.3Confident189 Ų18960.2 Ų60.271%0.71331%0.305SS*.Hα-helixtrans-58.1-41.1179.3-66.7175.2-166.8-122.62.1111.4N188 L192 N193 I194N188-R190 PolarHBondContact O-N 2.83Å; N188-R190 VanDerWaalsContact O-N 3.08Å; N188-R190 WeakPolarHBondContact OD1-CB 3.26Å; N188-R190 VanDerWaalsContact OD1-CD 3.31Å; N188-R190 WeakPolarHBondContact OD1-CD 3.18Å; N188-R190 WeakPolarHBondContact OD1-CG 3.38Å; N188-R190 PolarHBondContact OD1-N 3.02Å; R190-L192 VanDerWaalsContact C-N 3.29Å; R190-L192 PolarHBondContact O-N 3.42Å; R190-N193 WeakPolarHBondContact O-CB 3.12Å; R190-N193 PolarHBondContact O-N 2.54Å; R190-N193 VanDerWaalsContact O-N 3.17Å; R190-I194 VanDerWaalsContact O-CG1 3.26Å; R190-I194 WeakPolarHBondContact O-CG1 3.3Å; R190-I194 PolarHBondContact O-N 2.88Å
191T90.6Very high89.9Confident55 Ų5559.3 Ų59.334%0.33730%0.297SS..Hα-helixtrans-60.8-38.7178.6-46.90000111.8S33 M189 I194 S195S33-T191 WeakPolarHBondContact CB-O 3.43Å; S33-T191 WeakPolarHBondContact O-CG2 3.38Å; M189-T191 VanDerWaalsContact C-N 3.26Å; M189-T191 PolarHBondContact O-N 3.36Å; T191-I194 WeakPolarHBondContact O-CB 3.5Å; T191-I194 PolarHBondContact O-N 3.39Å; T191-S195 PolarHBondContact O-N 3.48Å
192L91.7Very high90.4Very high0 Ų058.6 Ų58.60%029%0.292CS..Hα-helixtrans-69.3-40.6175.2-57.4177.7000112F37 F63 W151 L155 M189 R190 I194 S195 V196F37-L192 HydrophobicContact CB-CD2 3.59Å; F37-L192 HydrophobicContact CB-CG 4.47Å; F37-L192 HydrophobicContact CD1-CD1 3.93Å; F37-L192 HydrophobicContact CD1-CD2 3.92Å; F37-L192 HydrophobicContact CD1-CG 4.14Å; F37-L192 HydrophobicContact CD2-CD1 4.2Å; F37-L192 HydrophobicContact CD2-CD2 3.69Å; F37-L192 HydrophobicContact CD2-CG 3.64Å; F37-L192 HydrophobicContact CE1-CD1 3.78Å; F37-L192 HydrophobicContact CE1-CG 4.29Å; F37-L192 HydrophobicContact CE2-CD1 4.03Å; F37-L192 HydrophobicContact CE2-CD2 4.34Å; F37-L192 HydrophobicContact CE2-CG 3.79Å; F37-L192 HydrophobicContact CG-CD1 4.14Å; F37-L192 HydrophobicContact CG-CD2 3.44Å; F37-L192 VanDerWaalsContact CG-CD2 3.44Å; F37-L192 HydrophobicContact CG-CG 3.81Å; F37-L192 HydrophobicContact CZ-CD1 3.81Å; F37-L192 HydrophobicContact CZ-CG 4.11Å; F63-L192 HydrophobicContact CE1-CD1 3.96Å; F63-L192 HydrophobicContact CE1-CD2 4.2Å; F63-L192 HydrophobicContact CE2-CD2 4.49Å; F63-L192 HydrophobicContact CZ-CD1 4.15Å; F63-L192 HydrophobicContact CZ-CD2 3.58Å; W151-L192 HydrophobicContact CZ2-CD2 3.97Å; L155-L192 HydrophobicContact CD1-CB 3.5Å; L155-L192 VanDerWaalsContact CD1-CB 3.5Å; L155-L192 HydrophobicContact CD1-CD1 3.6Å; L155-L192 HydrophobicContact CD1-CG 4.16Å; L155-L192 HydrophobicContact CD2-CB 3.94Å; L155-L192 HydrophobicContact CG-CB 4.38Å; M189-L192 PolarHBondContact O-N 2.98Å; M189-L192 VanDerWaalsContact O-N 3.14Å; R190-L192 VanDerWaalsContact C-N 3.29Å; R190-L192 PolarHBondContact O-N 3.42Å; L192-I194 VanDerWaalsContact C-N 3.31Å; L192-I194 PolarHBondContact O-N 3.48Å; L192-S195 WeakPolarHBondContact O-CB 3.48Å; L192-S195 PolarHBondContact O-N 3.44Å; L192-S195 VanDerWaalsContact O-N 3.15Å; L192-S195 PolarHBondContact O-OG 3.31Å; L192-V196 PolarHBondContact O-N 3.06Å
193N93.8Very high90.7Very high63 Ų6355 Ų5534%0.33728%0.275SS..Hα-helixtrans-61.5-42173.9-68.5-48.8000111.6K159 M189 R190 S195 V196 V197K159-N193 WeakPolarHBondContact CE-OD1 3.11Å; K159-N193 PolarHBondContact NZ-OD1 3.48Å; M189-N193 PolarHBondContact O-N 3.09Å; M189-N193 PolarHBondContact O-ND2 3.08Å; M189-N193 VanDerWaalsContact O-ND2 3.13Å; R190-N193 WeakPolarHBondContact O-CB 3.12Å; R190-N193 PolarHBondContact O-N 2.54Å; R190-N193 VanDerWaalsContact O-N 3.17Å; N193-S195 VanDerWaalsContact C-N 3.3Å; N193-S195 PolarHBondContact O-N 2.82Å; N193-V196 PolarHBondContact O-N 2.84Å; N193-V197 WeakPolarHBondContact O-CG2 3.45Å; N193-V197 PolarHBondContact O-N 3.29Å
194I92.4Very high91.1Very high78 Ų7861.4 Ų61.440%0.430%0.303SS..Hα-helixtrans-58.2-44.2173.8-71168.1000110R190 T191 L192 V196 V197 F198R190-I194 VanDerWaalsContact O-CG1 3.26Å; R190-I194 WeakPolarHBondContact O-CG1 3.3Å; R190-I194 PolarHBondContact O-N 2.88Å; T191-I194 WeakPolarHBondContact O-CB 3.5Å; T191-I194 PolarHBondContact O-N 3.39Å; L192-I194 VanDerWaalsContact C-N 3.31Å; L192-I194 PolarHBondContact O-N 3.48Å; I194-V196 VanDerWaalsContact C-N 3.28Å; I194-V196 PolarHBondContact O-N 3.26Å; I194-V197 PolarHBondContact O-N 3.06Å; I194-F198 HydrophobicContact CG2-CD2 3.48Å; I194-F198 VanDerWaalsContact CG2-CD2 3.48Å; I194-F198 HydrophobicContact CG2-CE2 3.67Å; I194-F198 WeakPolarHBondContact O-CD2 3.46Å; I194-F198 PolarHBondContact O-N 3.3Å
195S94.3Very high91.6Very high0 Ų059.6 Ų59.60%029%0.29CS..Hα-helixtrans-57.9-38.6178.278.20000113.1A30 W151 T191 L192 N193 G199A30-S195 WeakPolarHBondContact O-CB 3.43Å; W151-S195 PolarHBondContact NE1-OG 3.15Å; T191-S195 PolarHBondContact O-N 3.48Å; L192-S195 WeakPolarHBondContact O-CB 3.48Å; L192-S195 PolarHBondContact O-N 3.44Å; L192-S195 VanDerWaalsContact O-N 3.15Å; L192-S195 PolarHBondContact O-OG 3.31Å; N193-S195 VanDerWaalsContact C-N 3.3Å; N193-S195 PolarHBondContact O-N 2.82Å; S195-G199 PolarHBondContact O-N 3.05Å
196V94.1Very high91.9Very high22 Ų2254.9 Ų54.913%0.13327%0.265CS..Hα-helixtrans-70.7-43.3177.3175.30000111.3A152 L155 L192 N193 I194 G199 Y200A152-V196 HydrophobicContact CB-CG1 3.86Å; L155-V196 HydrophobicContact CB-CG2 4.43Å; L155-V196 HydrophobicContact CD2-CG2 3.62Å; L192-V196 PolarHBondContact O-N 3.06Å; N193-V196 PolarHBondContact O-N 2.84Å; I194-V196 VanDerWaalsContact C-N 3.28Å; I194-V196 PolarHBondContact O-N 3.26Å; V196-G199 WeakPolarHBondContact O-CA 3.26Å; V196-G199 PolarHBondContact O-N 3.04Å; V196-Y200 HydrophobicContact CG1-CD2 3.88Å; V196-Y200 HydrophobicContact CG1-CE2 3.71Å; V196-Y200 WeakPolarHBondContact O-CD2 3.33Å; V196-Y200 PolarHBondContact O-N 3.08Å
197V95.1Very high92.2Very high95 Ų9552.1 Ų52.158%0.57626%0.262SS*.Hα-helixtrans-61-48.7176.9172.90000110.7N193 I194 G199 Y200 L201N193-V197 WeakPolarHBondContact O-CG2 3.45Å; N193-V197 PolarHBondContact O-N 3.29Å; I194-V197 PolarHBondContact O-N 3.06Å; V197-G199 VanDerWaalsContact C-N 3.28Å; V197-G199 PolarHBondContact O-N 3.28Å; V197-Y200 PolarHBondContact O-N 3.07Å; V197-L201 VanDerWaalsContact O-CB 3.32Å; V197-L201 WeakPolarHBondContact O-CB 3.4Å; V197-L201 PolarHBondContact O-N 3.12Å
198F93.9Very high92.3Very high59 Ų5953 Ų5326%0.25927%0.272SS..Hα-helixtrans-65.7-31.8175.6-85.6-86.3000112.3T26 F29 A30 I194 L201 N202T26-F198 HydrophobicContact CG2-CD1 4.29Å; T26-F198 HydrophobicContact CG2-CE1 4.43Å; F29-F198 HydrophobicContact CB-CB 4.46Å; F29-F198 HydrophobicContact CB-CD1 3.66Å; F29-F198 HydrophobicContact CB-CD2 4.26Å; F29-F198 HydrophobicContact CB-CE1 3.85Å; F29-F198 HydrophobicContact CB-CE2 4.42Å; F29-F198 HydrophobicContact CB-CG 3.87Å; F29-F198 HydrophobicContact CB-CZ 4.22Å; F29-F198 HydrophobicContact CD2-CE1 4.04Å; F29-F198 HydrophobicContact CG-CD1 4.39Å; F29-F198 HydrophobicContact CG-CE1 4.1Å; F29-F198 HydrophobicContact CG-CZ 4.34Å; A30-F198 HydrophobicContact CB-CB 4.03Å; I194-F198 HydrophobicContact CG2-CD2 3.48Å; I194-F198 VanDerWaalsContact CG2-CD2 3.48Å; I194-F198 HydrophobicContact CG2-CE2 3.67Å; I194-F198 WeakPolarHBondContact O-CD2 3.46Å; I194-F198 PolarHBondContact O-N 3.3Å; F198-L201 HydrophobicContact CD1-CD2 4.41Å; F198-L201 PolarHBondContact O-N 3.14Å; F198-N202 VanDerWaalsContact O-CB 3.22Å; F198-N202 WeakPolarHBondContact O-CB 3.49Å; F198-N202 PolarHBondContact O-N 3.26Å
199G93.6Very high92.5Very high0 Ų048.4 Ų48.40%025%0.248CC..Hα-helixtrans-56.3-56170.300000111.9W144 S195 V196 V197 L201 N202 M203W144-G199 PolarHBondContact NE1-O 2.78Å; S195-G199 PolarHBondContact O-N 3.05Å; V196-G199 WeakPolarHBondContact O-CA 3.26Å; V196-G199 PolarHBondContact O-N 3.04Å; V197-G199 VanDerWaalsContact C-N 3.28Å; V197-G199 PolarHBondContact O-N 3.28Å; G199-L201 PolarHBondContact O-N 2.65Å; G199-N202 PolarHBondContact O-N 3.39Å; G199-M203 PolarHBondContact O-N 2.83Å
200Y94.4Very high92.6Very high75 Ų7548 Ų4829%0.29425%0.248SC..Hα-helixtrans-67.7-36.5178.3-75.1-69.1000113.4S149 A152 V196 V197 N202 M203 F204S149-Y200 WeakPolarHBondContact CA-OH 3.42Å; S149-Y200 PolarHBondContact OG-OH 2.88Å; A152-Y200 HydrophobicContact CB-CE2 4.07Å; V196-Y200 HydrophobicContact CG1-CD2 3.88Å; V196-Y200 HydrophobicContact CG1-CE2 3.71Å; V196-Y200 WeakPolarHBondContact O-CD2 3.33Å; V196-Y200 PolarHBondContact O-N 3.08Å; V197-Y200 PolarHBondContact O-N 3.07Å; Y200-N202 VanDerWaalsContact C-N 3.33Å; Y200-N202 PolarHBondContact O-N 3.39Å; Y200-M203 HydrophobicContact CD1-CE 4.22Å; Y200-M203 VanDerWaalsContact O-CB 3.3Å; Y200-M203 WeakPolarHBondContact O-CB 3.39Å; Y200-M203 PolarHBondContact O-N 3.44Å; Y200-F204 WeakPolarHBondContact O-CD2 3.13Å; Y200-F204 PolarHBondContact O-N 3.43Å
201L94.9Very high92.4Very high78 Ų7845.8 Ų45.841%0.40824%0.24SC..Hα-helixtrans-61.2-44.6175.2-179.8140.6000110.8T26 V197 F198 G199 M203 F204 I205T26-L201 HydrophobicContact CG2-CD2 3.44Å; T26-L201 VanDerWaalsContact CG2-CD2 3.44Å; V197-L201 VanDerWaalsContact O-CB 3.32Å; V197-L201 WeakPolarHBondContact O-CB 3.4Å; V197-L201 PolarHBondContact O-N 3.12Å; F198-L201 HydrophobicContact CD1-CD2 4.41Å; F198-L201 PolarHBondContact O-N 3.14Å; G199-L201 PolarHBondContact O-N 2.65Å; L201-M203 VanDerWaalsContact C-N 3.31Å; L201-M203 PolarHBondContact O-N 3.04Å; L201-F204 PolarHBondContact O-N 3.48Å; L201-I205 HydrophobicContact CD2-CD1 3.49Å; L201-I205 VanDerWaalsContact CD2-CD1 3.49Å; L201-I205 HydrophobicContact CG-CD1 4.28Å; L201-I205 WeakPolarHBondContact O-CG1 3.32Å; L201-I205 PolarHBondContact O-N 2.91Å
202N93.3Very high92.2Very high0 Ų046.1 Ų46.10%024%0.237CC..Hα-helixtrans-62.9-38.2176-158.941.6000111.3E23 T26 W144 F198 G199 Y200 F204 I205 W206E23-N202 PolarHBondContact O-OD1 3.11Å; T26-N202 PolarHBondContact OG1-OD1 3.23Å; W144-N202 WeakPolarHBondContact CH2-ND2 3.15Å; W144-N202 HydrophobicContact CZ2-CB 3.77Å; W144-N202 WeakPolarHBondContact CZ2-ND2 3.36Å; F198-N202 VanDerWaalsContact O-CB 3.22Å; F198-N202 WeakPolarHBondContact O-CB 3.49Å; F198-N202 PolarHBondContact O-N 3.26Å; G199-N202 PolarHBondContact O-N 3.39Å; Y200-N202 VanDerWaalsContact C-N 3.33Å; Y200-N202 PolarHBondContact O-N 3.39Å; N202-F204 PolarHBondContact O-N 3.35Å; N202-I205 PolarHBondContact O-N 3.14Å; N202-I205 VanDerWaalsContact O-N 3.13Å; N202-W206 PolarHBondContact ND2-NE1 3.17Å; N202-W206 PolarHBondContact O-N 3.18Å
203M93.2Very high91.8Very high24 Ų2446.1 Ų46.112%0.11824%0.237CC..Hα-helixtrans-54.9-47.9174.4-176.3-88.2-67.500112.5L145 G199 Y200 L201 I205 W206 A207L145-M203 HydrophobicContact CB-CG 3.94Å; L145-M203 HydrophobicContact CD1-CE 4.49Å; L145-M203 HydrophobicContact CD1-CG 4.3Å; L145-M203 HydrophobicContact CD1-SD 4.19Å; L145-M203 HydrophobicContact CG-CG 4.49Å; G199-M203 PolarHBondContact O-N 2.83Å; Y200-M203 HydrophobicContact CD1-CE 4.22Å; Y200-M203 VanDerWaalsContact O-CB 3.3Å; Y200-M203 WeakPolarHBondContact O-CB 3.39Å; Y200-M203 PolarHBondContact O-N 3.44Å; L201-M203 VanDerWaalsContact C-N 3.31Å; L201-M203 PolarHBondContact O-N 3.04Å; M203-I205 VanDerWaalsContact C-N 3.29Å; M203-I205 PolarHBondContact O-N 3.15Å; M203-W206 PolarHBondContact O-N 3.43Å; M203-A207 WeakPolarHBondContact O-CB 3.48Å; M203-A207 PolarHBondContact O-N 2.82Å
204F92.8Very high91.3Very high140 Ų14045.2 Ų45.261%0.61423%0.229SC*.Hα-helixtrans-64.9-35.4178.5-70.2-64.9000112.4Y200 L201 N202 A207 G208Y200-F204 WeakPolarHBondContact O-CD2 3.13Å; Y200-F204 PolarHBondContact O-N 3.43Å; L201-F204 PolarHBondContact O-N 3.48Å; N202-F204 PolarHBondContact O-N 3.35Å; F204-A207 PolarHBondContact O-N 3.05Å; F204-G208 PolarHBondContact O-N 2.95Å
205I93.7Very high90.8Very high33 Ų3344.9 Ų44.917%0.16923%0.225CC..Hα-helixtrans-65.6-47.5175.9-61.4161.9000110V19 V22 E23 T26 L201 N202 M203 A207 G208 N209V19-I205 HydrophobicContact CG1-CG2 3.71Å; V22-I205 HydrophobicContact CG1-CD1 3.64Å; V22-I205 HydrophobicContact CG1-CG1 4.5Å; E23-I205 HydrophobicContact CB-CG2 4.45Å; E23-I205 HydrophobicContact CG-CB 4.24Å; E23-I205 HydrophobicContact CG-CG2 3.34Å; T26-I205 HydrophobicContact CG2-CD1 3.89Å; L201-I205 HydrophobicContact CD2-CD1 3.49Å; L201-I205 VanDerWaalsContact CD2-CD1 3.49Å; L201-I205 HydrophobicContact CG-CD1 4.28Å; L201-I205 WeakPolarHBondContact O-CG1 3.32Å; L201-I205 PolarHBondContact O-N 2.91Å; N202-I205 PolarHBondContact O-N 3.14Å; N202-I205 VanDerWaalsContact O-N 3.13Å; M203-I205 VanDerWaalsContact C-N 3.29Å; M203-I205 PolarHBondContact O-N 3.15Å; I205-A207 VanDerWaalsContact C-N 3.33Å; I205-A207 PolarHBondContact O-N 3.19Å; I205-G208 CarbonylContact O-C 3.6Å; I205-G208 PolarHBondContact O-N 3.16Å; I205-N209 WeakPolarHBondContact O-CB 3.47Å; I205-N209 PolarHBondContact O-N 3.39Å
206W92.8Very high90.1Very high1 Ų149.2 Ų49.20%0.00425%0.245CC..Hα-helixtrans-58.9-41.9175.8-84.892.8000112.5E23 C105 Y108 S109 T137 L140 A141 N202 M203 N209 A210E23-W206 HydrophobicContact CG-CG 4.48Å; E23-W206 WeakPolarHBondContact OE1-CA 3.2Å; C105-W206 HydrophobicContact CB-CH2 4.32Å; C105-W206 HydrophobicContact CB-CZ2 3.54Å; C105-W206 VanDerWaalsContact SG-CZ2 3.59Å; Y108-W206 AromaticContact CD1-CH2 3.56Å; Y108-W206 HydrophobicContact CD1-CH2 3.56Å; Y108-W206 HydrophobicContact CD1-CZ3 4.11Å; Y108-W206 HydrophobicContact CE1-CH2 4.12Å; Y108-W206 HydrophobicContact CE1-CZ3 4.21Å; Y108-W206 HydrophobicContact CG-CH2 4.43Å; S109-W206 WeakPolarHBondContact OG-CZ2 3.32Å; T137-W206 HydrophobicContact CG2-CE3 3.78Å; T137-W206 HydrophobicContact CG2-CZ3 4.03Å; L140-W206 HydrophobicContact CB-CE3 3.95Å; L140-W206 HydrophobicContact CB-CH2 3.91Å; L140-W206 HydrophobicContact CB-CZ3 3.56Å; L140-W206 HydrophobicContact CD1-CH2 3.44Å; L140-W206 VanDerWaalsContact CD1-CH2 3.44Å; L140-W206 HydrophobicContact CD1-CZ2 4.41Å; L140-W206 HydrophobicContact CD1-CZ3 3.71Å; L140-W206 HydrophobicContact CG-CH2 4.33Å; L140-W206 HydrophobicContact CG-CZ3 4.28Å; A141-W206 HydrophobicContact CB-CB 3.87Å; N202-W206 PolarHBondContact ND2-NE1 3.17Å; N202-W206 PolarHBondContact O-N 3.18Å; M203-W206 PolarHBondContact O-N 3.43Å; W206-N209 PolarHBondContact O-N 3.06Å; W206-A210 PolarHBondContact O-N 3.03Å
207A91Very high89.4Confident50 Ų5048.2 Ų48.241%0.41324%0.239SC..Hα-helixtrans-64.4-43.6175.200000112.1M203 F204 I205 N209 A210 W211M203-A207 WeakPolarHBondContact O-CB 3.48Å; M203-A207 PolarHBondContact O-N 2.82Å; F204-A207 PolarHBondContact O-N 3.05Å; I205-A207 VanDerWaalsContact C-N 3.33Å; I205-A207 PolarHBondContact O-N 3.19Å; A207-N209 VanDerWaalsContact C-N 3.31Å; A207-N209 PolarHBondContact O-N 2.87Å; A207-A210 PolarHBondContact O-N 3.25Å; A207-W211 PolarHBondContact O-N 3.47Å
208G90Very high88Confident30 Ų3049.9 Ų49.931%0.30924%0.235SC..Hα-helixtrans-62.1-39.4174.300000112.2F204 I205 W211 F212F204-G208 PolarHBondContact O-N 2.95Å; I205-G208 CarbonylContact O-C 3.6Å; I205-G208 PolarHBondContact O-N 3.16Å; G208-W211 WeakPolarHBondContact O-CB 2.82Å; G208-W211 PolarHBondContact O-N 3.44Å; G208-F212 WeakPolarHBondContact O-CD2 3.13Å; G208-F212 PolarHBondContact O-N 3.17Å
209N90.3Very high86.6Confident0 Ų052.6 Ų52.60%024%0.244CC..Hα-helixtrans-66.8-42.9177.3-1609.5000112.4V19 K20 E23 T137 I205 W206 A207 W211 F212 V213V19-N209 HydrophobicContact CG1-CB 3.51Å; K20-N209 VanDerWaalsContact CD-ND2 3.25Å; K20-N209 WeakPolarHBondContact CD-ND2 3.34Å; K20-N209 WeakPolarHBondContact CE-ND2 3.48Å; K20-N209 PolarHBondContact NZ-ND2 2.92Å; E23-N209 WeakPolarHBondContact OE1-CB 3.38Å; E23-N209 PolarHBondContact OE1-ND2 3.22Å; E23-N209 PolarHBondContact OE2-ND2 3Å; E23-N209 VanDerWaalsContact OE2-ND2 3.08Å; T137-N209 HydrophobicContact CG2-CB 4.33Å; I205-N209 WeakPolarHBondContact O-CB 3.47Å; I205-N209 PolarHBondContact O-N 3.39Å; W206-N209 PolarHBondContact O-N 3.06Å; A207-N209 VanDerWaalsContact C-N 3.31Å; A207-N209 PolarHBondContact O-N 2.87Å; N209-W211 PolarHBondContact O-N 3.32Å; N209-W211 VanDerWaalsContact O-N 3.17Å; N209-F212 WeakPolarHBondContact O-CA 3.49Å; N209-F212 PolarHBondContact O-N 3.19Å; N209-V213 WeakPolarHBondContact O-CG2 3.25Å; N209-V213 PolarHBondContact O-N 3.36Å
210A88.7Confident85.3Confident15 Ų1554.8 Ų54.812%0.12425%0.253CS..Hα-helixtrans-54.1-37.6175.800000111.5F134 T137 W206 A207 Y214F134-A210 WeakPolarHBondContact CD2-O 3.41Å; F134-A210 HydrophobicContact CE2-CB 4.47Å; F134-A210 WeakPolarHBondContact CE2-O 3.49Å; T137-A210 HydrophobicContact CG2-CB 4.05Å; W206-A210 PolarHBondContact O-N 3.03Å; A207-A210 PolarHBondContact O-N 3.25Å; A210-Y214 WeakPolarHBondContact O-CB 3.26Å; A210-Y214 PolarHBondContact O-N 3.3Å
211W86.8Confident83.6Confident143 Ų14354 Ų5454%0.54226%0.259SS..Hα-helixtrans-66.2-41.7173.3174.1-106000113.6A207 G208 N209 Y214 K215A207-W211 PolarHBondContact O-N 3.47Å; G208-W211 WeakPolarHBondContact O-CB 2.82Å; G208-W211 PolarHBondContact O-N 3.44Å; N209-W211 PolarHBondContact O-N 3.32Å; N209-W211 VanDerWaalsContact O-N 3.17Å; W211-Y214 HydrophobicContact CE3-CD1 4.33Å; W211-Y214 HydrophobicContact CZ3-CD1 4.34Å; W211-Y214 PolarHBondContact O-N 3.43Å; W211-K215 HydrophobicContact CZ2-CD 4.33Å; W211-K215 VanDerWaalsContact NE1-CE 3.28Å; W211-K215 PolarHBondContact O-N 3.38Å
212F85.4Confident81.8Confident63 Ų6355.9 Ų55.928%0.27627%0.266SS..Hα-helixtrans-66.7-45.9176.8-74.9-68.9000111.9P15 L16 V19 G208 N209 Y214 K215 E216P15-F212 HydrophobicContact CB-CD1 4.13Å; P15-F212 HydrophobicContact CB-CE1 3.88Å; P15-F212 HydrophobicContact CB-CZ 4.13Å; P15-F212 HydrophobicContact CG-CD1 4.23Å; P15-F212 HydrophobicContact CG-CE1 4.13Å; L16-F212 HydrophobicContact CD1-CB 4.32Å; V19-F212 HydrophobicContact CG2-CD2 4.49Å; G208-F212 WeakPolarHBondContact O-CD2 3.13Å; G208-F212 PolarHBondContact O-N 3.17Å; N209-F212 WeakPolarHBondContact O-CA 3.49Å; N209-F212 PolarHBondContact O-N 3.19Å; F212-Y214 VanDerWaalsContact C-N 3.32Å; F212-Y214 PolarHBondContact O-N 3.46Å; F212-K215 PolarHBondContact O-N 2.94Å; F212-E216 PolarHBondContact O-N 2.93Å
213V84.4Confident80Confident0 Ų062.4 Ų62.40%029%0.294CS..Hα-helixtrans-61.8-41.6175.7-175.60000110.5L16 D133 F134 N209 K215 E216 T217L16-V213 HydrophobicContact CD1-CB 4.5Å; L16-V213 HydrophobicContact CD1-CG2 3.73Å; D133-V213 HydrophobicContact CB-CG1 4.27Å; D133-V213 WeakPolarHBondContact OD2-CG1 3.27Å; D133-V213 WeakPolarHBondContact OD2-CG2 3.46Å; F134-V213 HydrophobicContact CB-CG1 3.77Å; N209-V213 WeakPolarHBondContact O-CG2 3.25Å; N209-V213 PolarHBondContact O-N 3.36Å; V213-K215 VanDerWaalsContact C-N 3.27Å; V213-K215 PolarHBondContact O-N 3.08Å; V213-E216 WeakPolarHBondContact O-CB 3.43Å; V213-E216 PolarHBondContact O-N 3.32Å; V213-T217 PolarHBondContact O-N 3.46Å
214Y83.3Confident78Confident44 Ų4468.2 Ų68.217%0.17332%0.319CS..Hα-helixtrans-56.5-39.3175.7173-105.5000112.7F134 A210 W211 F212 E216 T217 W219 H220F134-Y214 HydrophobicContact CE2-CD2 4.24Å; F134-Y214 HydrophobicContact CE2-CG 4.35Å; F134-Y214 HydrophobicContact CZ-CD2 4.13Å; A210-Y214 WeakPolarHBondContact O-CB 3.26Å; A210-Y214 PolarHBondContact O-N 3.3Å; W211-Y214 HydrophobicContact CE3-CD1 4.33Å; W211-Y214 HydrophobicContact CZ3-CD1 4.34Å; W211-Y214 PolarHBondContact O-N 3.43Å; F212-Y214 VanDerWaalsContact C-N 3.32Å; F212-Y214 PolarHBondContact O-N 3.46Å; Y214-E216 VanDerWaalsContact C-N 3.26Å; Y214-E216 PolarHBondContact O-N 2.85Å; Y214-T217 WeakPolarHBondContact O-CB 3.46Å; Y214-T217 PolarHBondContact O-N 3.31Å; Y214-T217 PolarHBondContact O-OG1 2.87Å; Y214-W219 HydrophobicContact CE2-CB 4.27Å; Y214-W219 HydrophobicContact CE2-CE3 4.38Å; Y214-H220 HydrophobicContact CE1-CB 4.21Å; Y214-H220 AromaticContact CE1-CD2 3.93Å
215K81.9Confident76Confident71 Ų7166.4 Ų66.431%0.30932%0.324SS..Hα-helixtrans-66.9-26.5178-77.7-173.8-74.3176.50113.5W211 F212 V213 T217W211-K215 HydrophobicContact CZ2-CD 4.33Å; W211-K215 VanDerWaalsContact NE1-CE 3.28Å; W211-K215 PolarHBondContact O-N 3.38Å; F212-K215 PolarHBondContact O-N 2.94Å; V213-K215 VanDerWaalsContact C-N 3.27Å; V213-K215 PolarHBondContact O-N 3.08Å; K215-T217 VanDerWaalsContact C-N 3.3Å
216E78.8Confident73.7Confident91 Ų9169 Ų6943%0.42535%0.345SS..Hα-helixtrans-77.8-16173.1-60.9-64.8142.100112.1L16 P130 F212 V213 Y214L16-E216 HydrophobicContact CD2-CG 4.44Å; P130-E216 HydrophobicContact CB-CB 4.29Å; F212-E216 PolarHBondContact O-N 2.93Å; V213-E216 WeakPolarHBondContact O-CB 3.43Å; V213-E216 PolarHBondContact O-N 3.32Å; Y214-E216 VanDerWaalsContact C-N 3.26Å; Y214-E216 PolarHBondContact O-N 2.85Å
217T78.3Confident71.2Confident1 Ų176.3 Ų76.31%0.00638%0.379CS..SBendtrans-75.4146.2175.272.50000112.1P130 I131 F134 V213 Y214 K215 W219 H220P130-T217 HydrophobicContact CB-CG2 4.33Å; I131-T217 HydrophobicContact CG1-CG2 4.29Å; F134-T217 HydrophobicContact CB-CG2 4.03Å; F134-T217 HydrophobicContact CG-CG2 4.44Å; V213-T217 PolarHBondContact O-N 3.46Å; Y214-T217 WeakPolarHBondContact O-CB 3.46Å; Y214-T217 PolarHBondContact O-N 3.31Å; Y214-T217 PolarHBondContact O-OG1 2.87Å; K215-T217 VanDerWaalsContact C-N 3.3Å; T217-W219 PolarHBondContact O-N 2.9Å; T217-W219 VanDerWaalsContact O-N 3.11Å; T217-H220 PolarHBondContact O-N 3.14Å
218R66.7Low68.9Low130 Ų13079.8 Ų79.849%0.49140%0.398SS..Hα-helixtrans-62.7-18.2176.8-66.9-165.867.51787.6114.3D127 H220 S221 Q222D127-R218 WeakPolarHBondContact OD1-CD 3.5Å; D127-R218 IonicContact OD1-NH1 3.94Å; D127-R218 VanDerWaalsContact OD2-CD 3.26Å; D127-R218 WeakPolarHBondContact OD2-CD 3.3Å; D127-R218 IonicContact OD2-CZ 3.79Å; D127-R218 IonicContact OD2-NE 3.97Å; D127-R218 IonicContact OD2-NH1 2.82Å; D127-R218 PolarHBondContact OD2-NH1 3.34Å; R218-H220 PolarHBondContact O-N 3.24Å; R218-S221 PolarHBondContact O-N 3.42Å; R218-Q222 WeakPolarHBondContact O-CB 3.37Å; R218-Q222 WeakPolarHBondContact O-CG 3.4Å; R218-Q222 PolarHBondContact O-N 3.49Å
219W64.6Low66.6Low116 Ų11681.2 Ų81.244%0.43941%0.412SS..Hα-helixtrans-60.1-29.8173-63.3-24.9000112.7I131 F134 Y214 T217 K223I131-W219 HydrophobicContact CG2-CH2 4.25Å; I131-W219 HydrophobicContact CG2-CZ2 4.31Å; F134-W219 AromaticContact CD1-CZ3 3.83Å; F134-W219 HydrophobicContact CD1-CZ3 3.83Å; F134-W219 AromaticContact CE1-CZ3 3.89Å; F134-W219 HydrophobicContact CE1-CZ3 3.89Å; Y214-W219 HydrophobicContact CE2-CB 4.27Å; Y214-W219 HydrophobicContact CE2-CE3 4.38Å; T217-W219 PolarHBondContact O-N 2.9Å; T217-W219 VanDerWaalsContact O-N 3.11Å; W219-K223 WeakPolarHBondContact O-CG 3.35Å
220H65.4Low64.2Low45 Ų4587.6 Ų87.621%0.20845%0.454CS..Hα-helixtrans-82.2-45.5173.2-174.9-97.1000111.6Y214 T217 R218 Q222 K223 F224Y214-H220 HydrophobicContact CE1-CB 4.21Å; Y214-H220 AromaticContact CE1-CD2 3.93Å; T217-H220 PolarHBondContact O-N 3.14Å; R218-H220 PolarHBondContact O-N 3.24Å; H220-Q222 PolarHBondContact O-N 3.36Å; H220-K223 PolarHBondContact O-N 3.2Å; H220-F224 AromaticContact CE1-CD2 3.82Å; H220-F224 AromaticContact CE1-CE2 3.42Å; H220-F224 VanDerWaalsContact CE1-CE2 3.42Å; H220-F224 WeakPolarHBondContact CE1-CE2 3.47Å; H220-F224 AromaticContact NE2-CE2 3.6Å
221S58.8Low61.9Low60 Ų6090.2 Ų90.242%0.4248%0.482SS..Hα-helixtrans-63.6-37.3179.2-62.30000113.9R218 K223 F224 S225R218-S221 PolarHBondContact O-N 3.42Å; S221-K223 VanDerWaalsContact C-N 3.3Å; S221-K223 PolarHBondContact O-N 3.45Å; S221-F224 PolarHBondContact O-N 2.95Å; S221-S225 PolarHBondContact O-N 2.87Å; S221-S225 VanDerWaalsContact O-N 3.11Å; S221-S225 PolarHBondContact O-OG 2.98Å
222Q57.8Low59.7Low116 Ų11695.2 Ų95.254%0.54250%0.501SS..Hα-helixtrans-63-36.1177-79-174.2-48.200112.2R218 H220 F224 S225 S226R218-Q222 WeakPolarHBondContact O-CB 3.37Å; R218-Q222 WeakPolarHBondContact O-CG 3.4Å; R218-Q222 PolarHBondContact O-N 3.49Å; H220-Q222 PolarHBondContact O-N 3.36Å; Q222-F224 VanDerWaalsContact C-N 3.29Å; Q222-F224 PolarHBondContact O-N 3.24Å; Q222-S225 PolarHBondContact O-N 3.06Å; Q222-S226 WeakPolarHBondContact O-CB 3.48Å; Q222-S226 PolarHBondContact O-N 3.3Å; Q222-S226 PolarHBondContact O-OG 2.88Å
223K55.1Low57.4Low137 Ų137100.9 Ų100.960%0.59653%0.528SS*.Hα-helixtrans-64.4-32.2177.1-72.3179.6179.4178.10112.7W219 H220 S221 S226W219-K223 WeakPolarHBondContact O-CG 3.35Å; H220-K223 PolarHBondContact O-N 3.2Å; S221-K223 VanDerWaalsContact C-N 3.3Å; S221-K223 PolarHBondContact O-N 3.45Å; K223-S226 WeakPolarHBondContact CA-OG 3.14Å; K223-S226 PolarHBondContact O-OG 3.14Å; K223-S226 VanDerWaalsContact O-OG 3.1Å
224F52.2Low55.3Low146 Ų146109.9 Ų109.964%0.6457%0.57SS**Hα-helixtrans-78-33.7174.3-87.2-87000112.8H220 S221 Q222 S226H220-F224 AromaticContact CE1-CD2 3.82Å; H220-F224 AromaticContact CE1-CE2 3.42Å; H220-F224 VanDerWaalsContact CE1-CE2 3.42Å; H220-F224 WeakPolarHBondContact CE1-CE2 3.47Å; H220-F224 AromaticContact NE2-CE2 3.6Å; S221-F224 PolarHBondContact O-N 2.95Å; Q222-F224 VanDerWaalsContact C-N 3.29Å; Q222-F224 PolarHBondContact O-N 3.24Å; F224-S226 VanDerWaalsContact C-N 3.33Å
225S49.5Very low53.4Low103 Ų103114 Ų11472%0.7260%0.599SS**Hα-helixtrans-76.9-16.2176.7-51.10000114.1S221 Q222S221-S225 PolarHBondContact O-N 2.87Å; S221-S225 VanDerWaalsContact O-N 3.11Å; S221-S225 PolarHBondContact O-OG 2.98Å; Q222-S225 PolarHBondContact O-N 3.06Å
226S45.6Very low51.7Low87 Ų87116.1 Ų116.161%0.60862%0.621SS**THydrogen-bonded Turntrans-89.34.5178.850.50000115Q222 K223 F224 P228Q222-S226 WeakPolarHBondContact O-CB 3.48Å; Q222-S226 PolarHBondContact O-N 3.3Å; Q222-S226 PolarHBondContact O-OG 2.88Å; K223-S226 WeakPolarHBondContact CA-OG 3.14Å; K223-S226 PolarHBondContact O-OG 3.14Å; K223-S226 VanDerWaalsContact O-OG 3.1Å; F224-S226 VanDerWaalsContact C-N 3.33Å; S226-P228 WeakPolarHBondContact O-CD 3.2Å
227Q41.6Very low49.8Very low154 Ų154116.2 Ų116.272%0.7264%0.637SS**SBendtrans-74.7121.2160.7-83.4-171-16.900108.4G229Q227-G229 PolarHBondContact O-N 3.03Å
228P41Very low48.3Very low124 Ų124122.2 Ų122.281%0.80568%0.676SS**  trans-67.7104.7175.825.5-26.4000107.8S226S226-P228 WeakPolarHBondContact O-CD 3.2Å
229G42.2Very low47.4Very low59 Ų59127.6 Ų127.661%0.60871%0.712SS**PPolyproline II helixtrans-58.2140.7166.800000109.3Q227 G231Q227-G229 PolarHBondContact O-N 3.03Å; G229-G231 PolarHBondContact O-N 2.96Å
230P41.2Very low46.5Very low135 Ų135128.2 Ų128.288%0.87773%0.725SS**PPolyproline II helixtrans-57.3125.8176.423-30.1000108.8
231G38.9Very low45.5Very low69 Ų69132.5 Ų132.571%0.71175%0.752SS**PPolyproline II helixtrans-53.5141.3-168.900000113.5G229 Q233G229-G231 PolarHBondContact O-N 2.96Å; G231-Q233 PolarHBondContact O-N 3.1Å
232R40.4Very low44.8Very low249 Ų249136.6 Ų136.694%0.9477%0.771SS**  trans-53.9107.8165.8-90.2175.9163.6165.7-4.8109.6Q234R232-Q234 PolarHBondContact O-N 3.21Å
233Q37.4Very low44Very low182 Ų182137.8 Ų137.885%0.8578%0.784SS**  trans-73.8108.1158.6-112.2170.4-14.200108G231 V235G231-Q233 PolarHBondContact O-N 3.1Å; Q233-V235 PolarHBondContact O-N 2.89Å
234Q41Very low43.3Very low188 Ų188137.8 Ų137.888%0.87980%0.796SS**  trans-65114.6162.2-90.4169.7-38.800108.3R232R232-Q234 PolarHBondContact O-N 3.21Å
235V43.8Very low42.7Very low130 Ų130137.3 Ų137.379%0.78881%0.807SS**PPolyproline II helixtrans-87.8126.4168.4-176.60000107.6Q233Q233-V235 PolarHBondContact O-N 2.89Å
236P44.7Very low42.2Very low117 Ų117139.7 Ų139.776%0.7681%0.813SS**PPolyproline II helixtrans-72.1142.7174.8-622.3000110.4
237A39.1Very low42Very low93 Ų93143.8 Ų143.877%0.76983%0.828SS**PPolyproline II helixtrans-68136.8176.600000111.4
238P46.7Very low42Very low126 Ų126142.9 Ų142.982%0.81884%0.838SS**PPolyproline II helixtrans-79.1146.3169.317.1-5.8000111.5
239I47.9Very low42.1Very low243 Ų243144.6 Ų144.6100%1.24684%0.84SS**  trans-75.80178.6-41.8168000110

Retrieved 239 of 239 residues in 93.7 ms (Link to these results)

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