A0A096N6V3_PAPAN Loading...

Surfeit 2

AlphaFold DB , UniProt , Accession A0A096N6V3, Species PAPAN (Papio anubis, Olive baboon), Gene SURF2, Length 256 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
1M42.8Very low73.6Confident234 Ų23485.9 Ų85.9100%1.15349%0.485SS*.  0147.10-58.2-135.5-140.100107.9E3M1-E3 PolarHBondContact O-N 2.94Å
2S51.7Low74.6Confident96 Ų9681.1 Ų81.167%0.67146%0.457SS*.  trans-83.395-176.5-56.20000110.9L4S2-L4 PolarHBondContact O-N 3.3Å; S2-L4 VanDerWaalsContact O-N 3.09Å
3E64.4Low75.3Confident188 Ų18889.6 Ų89.688%0.87948%0.477SS*.  trans-67.1107.6179.2-66.7-176.8179.700110.9M1M1-E3 PolarHBondContact O-N 2.94Å
4L69.8Low76Confident33 Ų3392.9 Ų92.917%0.17349%0.488CS..  trans-75.7137.8173.8-70.5171.9000109.8S2 A6 Q9 L20 C38S2-L4 PolarHBondContact O-N 3.3Å; S2-L4 VanDerWaalsContact O-N 3.09Å; L4-A6 PolarHBondContact O-N 3.06Å; L4-Q9 HydrophobicContact CB-CG 4.18Å; L4-Q9 PolarHBondContact O-NE2 2.84Å; L4-L20 HydrophobicContact CD1-CD1 3.6Å; L4-L20 HydrophobicContact CD1-CD2 3.59Å; L4-L20 HydrophobicContact CD1-CG 4.24Å; L4-C38 HydrophobicContact CD2-CB 4.22Å
5P79.3Confident76.5Confident74 Ų7489.5 Ų89.548%0.48147%0.469SS..  trans-50.6136.2176.7-26.934000111.9D7 V8 Q9P5-D7 PolarHBondContact O-N 3.37Å; P5-D7 VanDerWaalsContact O-N 3.12Å; P5-V8 HydrophobicContact CB-CG2 4.2Å; P5-V8 HydrophobicContact CG-CG2 4.41Å; P5-V8 WeakPolarHBondContact O-CB 3.5Å; P5-V8 PolarHBondContact O-N 2.99Å; P5-Q9 PolarHBondContact O-N 3.14Å
6A80.4Confident76.9Confident72 Ų7290.8 Ų90.860%0.59548%0.484SS*.Hα-helixtrans-53.2-38.7-174.200000112.6L4 V8 Q9 A10L4-A6 PolarHBondContact O-N 3.06Å; A6-V8 VanDerWaalsContact C-N 3.31Å; A6-V8 PolarHBondContact O-N 2.95Å; A6-Q9 WeakPolarHBondContact O-CB 3.41Å; A6-Q9 PolarHBondContact O-N 2.91Å; A6-Q9 VanDerWaalsContact O-N 3.14Å; A6-A10 PolarHBondContact O-N 3.12Å
7D83.1Confident77.3Confident104 Ų10486.4 Ų86.456%0.55646%0.462SS*.Hα-helixtrans-55.7-40.8174.3-54.5-29.7000113.3P5 A10 F11 L40P5-D7 PolarHBondContact O-N 3.37Å; P5-D7 VanDerWaalsContact O-N 3.12Å; D7-A10 PolarHBondContact O-N 3.13Å; D7-F11 VanDerWaalsContact O-CB 3.29Å; D7-F11 WeakPolarHBondContact O-CB 3.47Å; D7-F11 PolarHBondContact O-N 3.25Å; D7-L40 HydrophobicContact CB-CD1 3.61Å; D7-L40 HydrophobicContact CB-CD2 3.86Å; D7-L40 HydrophobicContact CB-CG 4.3Å
8V83.2Confident77.8Confident2 Ų282 Ų821%0.01244%0.439CS..Hα-helixtrans-68.8-40.4179.4179.20000109.3P5 A6 F11 L12 L40 L43P5-V8 HydrophobicContact CB-CG2 4.2Å; P5-V8 HydrophobicContact CG-CG2 4.41Å; P5-V8 WeakPolarHBondContact O-CB 3.5Å; P5-V8 PolarHBondContact O-N 2.99Å; A6-V8 VanDerWaalsContact C-N 3.31Å; A6-V8 PolarHBondContact O-N 2.95Å; V8-F11 PolarHBondContact O-N 3.23Å; V8-L12 HydrophobicContact CG1-CD1 4.25Å; V8-L12 VanDerWaalsContact O-CG 3.29Å; V8-L12 WeakPolarHBondContact O-CG 3.44Å; V8-L12 PolarHBondContact O-N 2.77Å; V8-L40 HydrophobicContact CB-CD2 4.33Å; V8-L40 HydrophobicContact CG2-CD2 3.63Å; V8-L40 HydrophobicContact CG2-CG 3.79Å; V8-L43 HydrophobicContact CG1-CD1 4.29Å
9Q83.3Confident78.2Confident79 Ų7986.7 Ų86.737%0.36945%0.45SS..Hα-helixtrans-65-42.1175.9-52.9-173.229.800111.4L4 P5 A6 L12 R13L4-Q9 HydrophobicContact CB-CG 4.18Å; L4-Q9 PolarHBondContact O-NE2 2.84Å; P5-Q9 PolarHBondContact O-N 3.14Å; A6-Q9 WeakPolarHBondContact O-CB 3.41Å; A6-Q9 PolarHBondContact O-N 2.91Å; A6-Q9 VanDerWaalsContact O-N 3.14Å; Q9-L12 PolarHBondContact O-N 3.2Å; Q9-R13 WeakPolarHBondContact O-CG 3.43Å; Q9-R13 PolarHBondContact O-N 3.32Å
10A85.9Confident78.6Confident43 Ų4386.2 Ų86.236%0.35545%0.447SS..Hα-helixtrans-62.9-42.7174.900000111.8A6 D7 R13 Q14A6-A10 PolarHBondContact O-N 3.12Å; D7-A10 PolarHBondContact O-N 3.13Å; A10-R13 WeakPolarHBondContact O-CB 3.47Å; A10-R13 PolarHBondContact O-N 2.87Å; A10-Q14 WeakPolarHBondContact O-CG 3.46Å; A10-Q14 PolarHBondContact O-N 3.4Å; A10-Q14 VanDerWaalsContact O-N 3.17Å
11F86.4Confident78.8Confident20 Ų2084 Ų849%0.08843%0.434CS..Hα-helixtrans-64.8-39176.8-171.2-93.8000112.7D7 V8 Q14 H15 L18 L40 L43 Q44 T47D7-F11 VanDerWaalsContact O-CB 3.29Å; D7-F11 WeakPolarHBondContact O-CB 3.47Å; D7-F11 PolarHBondContact O-N 3.25Å; V8-F11 PolarHBondContact O-N 3.23Å; F11-Q14 PolarHBondContact O-N 3.05Å; F11-H15 AromaticContact CE1-CD2 3.61Å; F11-H15 AromaticContact CZ-CD2 3.6Å; F11-H15 AromaticContact CZ-NE2 3.83Å; F11-H15 PolarHBondContact O-N 2.86Å; F11-L18 HydrophobicContact CD1-CD1 4.49Å; F11-L18 HydrophobicContact CE1-CD1 4.02Å; F11-L40 HydrophobicContact CB-CD2 4.48Å; F11-L43 HydrophobicContact CD1-CB 4.14Å; F11-L43 HydrophobicContact CD1-CD1 4.39Å; F11-L43 HydrophobicContact CE1-CB 3.61Å; F11-L43 HydrophobicContact CZ-CB 4.24Å; F11-Q44 HydrophobicContact CD2-CG 4.44Å; F11-Q44 HydrophobicContact CE2-CG 3.7Å; F11-Q44 HydrophobicContact CZ-CG 4.07Å; F11-T47 HydrophobicContact CE1-CG2 4.04Å; F11-T47 HydrophobicContact CZ-CG2 3.88Å; F11-T47 WeakPolarHBondContact CZ-OG1 3.13Å
12L84.8Confident80.1Confident28 Ų2878.8 Ų78.815%0.14742%0.418CS..Hα-helixtrans-66.3-37.5173.7-69.7172.8000112V8 Q9 Q14 H15 L18 V27V8-L12 HydrophobicContact CG1-CD1 4.25Å; V8-L12 VanDerWaalsContact O-CG 3.29Å; V8-L12 WeakPolarHBondContact O-CG 3.44Å; V8-L12 PolarHBondContact O-N 2.77Å; Q9-L12 PolarHBondContact O-N 3.2Å; L12-Q14 VanDerWaalsContact C-N 3.27Å; L12-Q14 PolarHBondContact O-N 3.33Å; L12-H15 CarbonylContact O-C 3.55Å; L12-H15 VanDerWaalsContact O-C 3.24Å; L12-H15 PolarHBondContact O-N 3.06Å; L12-L18 HydrophobicContact CD2-CB 3.58Å; L12-L18 HydrophobicContact CD2-CD1 4.33Å; L12-V27 HydrophobicContact CD2-CG1 3.81Å; L12-V27 HydrophobicContact CD2-CG2 4.24Å
13R84.6Confident80.9Confident192 Ų19279 Ų7973%0.72541%0.412SS*.Hα-helixtrans-61.9-32.3173.5-71.8170.8-175151.25.3112.8Q9 A10 H15Q9-R13 WeakPolarHBondContact O-CG 3.43Å; Q9-R13 PolarHBondContact O-N 3.32Å; A10-R13 WeakPolarHBondContact O-CB 3.47Å; A10-R13 PolarHBondContact O-N 2.87Å; R13-H15 VanDerWaalsContact C-N 3.25Å; R13-H15 PolarHBondContact O-N 2.91Å
14Q85.3Confident81Confident135 Ų13571 Ų7163%0.63138%0.378SS*.THydrogen-bonded Turntrans-74-13.7173.9-66.8173.55.600113.4A10 F11 L12A10-Q14 WeakPolarHBondContact O-CG 3.46Å; A10-Q14 PolarHBondContact O-N 3.4Å; A10-Q14 VanDerWaalsContact O-N 3.17Å; F11-Q14 PolarHBondContact O-N 3.05Å; L12-Q14 VanDerWaalsContact C-N 3.27Å; L12-Q14 PolarHBondContact O-N 3.33Å
15H83.2Confident81.3Confident43 Ų4379.6 Ų79.620%0.19941%0.408CS..  trans-138.774.6-168.8-72.8-20.9000111.7F11 L12 R13 S17 L18 Y52F11-H15 AromaticContact CE1-CD2 3.61Å; F11-H15 AromaticContact CZ-CD2 3.6Å; F11-H15 AromaticContact CZ-NE2 3.83Å; F11-H15 PolarHBondContact O-N 2.86Å; L12-H15 CarbonylContact O-C 3.55Å; L12-H15 VanDerWaalsContact O-C 3.24Å; L12-H15 PolarHBondContact O-N 3.06Å; R13-H15 VanDerWaalsContact C-N 3.25Å; R13-H15 PolarHBondContact O-N 2.91Å; H15-S17 PolarHBondContact O-N 3.37Å; H15-L18 HydrophobicContact CB-CD1 3.87Å; H15-L18 HydrophobicContact CB-CG 4.12Å; H15-L18 WeakPolarHBondContact O-CB 3.47Å; H15-L18 PolarHBondContact O-N 3.28Å; H15-Y52 WeakPolarHBondContact CB-OH 3.01Å
16P82.8Confident81.5Confident109 Ų10980.3 Ų80.371%0.70840%0.404SS*.THydrogen-bonded Turntrans-63.1-12.2-175.626.1-36.1000114.8L18P16-L18 VanDerWaalsContact C-N 3.25Å; P16-L18 PolarHBondContact O-N 2.77Å
17S83.4Confident81.8Confident16 Ų1676.9 Ų76.911%0.11238%0.376CS..THydrogen-bonded Turntrans-75.8-4.9170.447.10000114.3H15 C29 I30 Y52H15-S17 PolarHBondContact O-N 3.37Å; S17-C29 CarbonylContact O-C 3.57Å; S17-C29 WeakPolarHBondContact O-CA 3.37Å; S17-I30 PolarHBondContact O-N 3.37Å; S17-Y52 PolarHBondContact OG-OH 2.94Å
18L87.1Confident82Confident8 Ų878.4 Ų78.44%0.04237%0.373CS..EExtended strand (participates in β ladder)trans-110.3115.8174.7-61.9-179.1000109.2F11 L12 H15 P16 V27 C29 Y46 T47 Y52F11-L18 HydrophobicContact CD1-CD1 4.49Å; F11-L18 HydrophobicContact CE1-CD1 4.02Å; L12-L18 HydrophobicContact CD2-CB 3.58Å; L12-L18 HydrophobicContact CD2-CD1 4.33Å; H15-L18 HydrophobicContact CB-CD1 3.87Å; H15-L18 HydrophobicContact CB-CG 4.12Å; H15-L18 WeakPolarHBondContact O-CB 3.47Å; H15-L18 PolarHBondContact O-N 3.28Å; P16-L18 VanDerWaalsContact C-N 3.25Å; P16-L18 PolarHBondContact O-N 2.77Å; L18-V27 HydrophobicContact CB-CG1 3.76Å; L18-V27 HydrophobicContact CD2-CG1 4.3Å; L18-V27 HydrophobicContact CG-CG1 4.46Å; L18-C29 HydrophobicContact CD2-CB 3.67Å; L18-Y46 HydrophobicContact CD2-CD1 4.5Å; L18-Y46 HydrophobicContact CD2-CE1 4.11Å; L18-T47 HydrophobicContact CD1-CG2 4.01Å; L18-Y52 HydrophobicContact CD2-CE2 4.19Å; L18-Y52 HydrophobicContact CG-CE2 4.47Å
19R85.4Confident82.2Confident172 Ų17278.3 Ų78.365%0.64937%0.373SS*.EExtended strand (participates in β ladder)trans-111.4141.6175.9-74.6-176.9178.8-176.10.7110.8V27 R28 I30R19-V27 CarbonylContact O-C 3.51Å; R19-V27 WeakPolarHBondContact O-CA 3.41Å; R19-R28 PolarHBondContact N-O 3.02Å; R19-R28 PolarHBondContact O-N 2.99Å; R19-I30 HydrophobicContact CG-CD1 3.97Å; R19-I30 HydrophobicContact CG-CG1 4.19Å
20L85.6Confident82.3Confident76 Ų7679 Ų7940%0.39838%0.378SS..EExtended strand (participates in β ladder)trans-71.3143.1171-165.275.7000110.3L4 V27L4-L20 HydrophobicContact CD1-CD1 3.6Å; L4-L20 HydrophobicContact CD1-CD2 3.59Å; L4-L20 HydrophobicContact CD1-CG 4.24Å; L20-V27 HydrophobicContact CD1-CG2 4.25Å
21Q81.9Confident82.1Confident39 Ų3979.3 Ų79.318%0.18237%0.374CS..  trans-82155165.6-97.5177.1-99.800111.6D23 A24 K26Q21-D23 PolarHBondContact NE2-OD2 2.78Å; Q21-D23 PolarHBondContact O-N 2.89Å; Q21-D23 VanDerWaalsContact O-N 3.15Å; Q21-A24 PolarHBondContact O-N 2.85Å; Q21-K26 HydrophobicContact CB-CB 4.46Å; Q21-K26 PolarHBondContact N-O 3.23Å
22P71.8Confident81.9Confident125 Ų12580 Ų8081%0.81238%0.379SS*.THydrogen-bonded Turntrans-59.4-26.8177.226.1-35000112.8A24P22-A24 PolarHBondContact O-N 2.95Å
23D67.4Low81.9Confident102 Ų10280.2 Ų80.255%0.54539%0.388SS..THydrogen-bonded Turntrans-68.8-1.6177.8-41.3-58.4000114Q21 R25Q21-D23 PolarHBondContact NE2-OD2 2.78Å; Q21-D23 PolarHBondContact O-N 2.89Å; Q21-D23 VanDerWaalsContact O-N 3.15Å; D23-R25 PolarHBondContact O-N 2.82Å
24A67.1Low82Confident20 Ų2075.2 Ų75.217%0.16537%0.373CS..SBendtrans57.5-12.1176.700000117.8Q21 P22 C38Q21-A24 PolarHBondContact O-N 2.85Å; P22-A24 PolarHBondContact O-N 2.95Å; A24-C38 PolarHBondContact O-SG 2.83Å; A24-C38 VanDerWaalsContact O-SG 3.34Å
25R74.6Confident82.2Confident213 Ų21373.4 Ų73.480%0.80437%0.365SS*.SBendtrans-93.1-10.9-177.3-62.8177.8-172.2-123.31.3114D23 C38D23-R25 PolarHBondContact O-N 2.82Å; R25-C38 PolarHBondContact O-N 3.36Å; R25-C38 PolarHBondContact O-SG 3.49Å
26K84.9Confident82.4Confident89 Ų8972.6 Ų72.639%0.38736%0.362SS..EExtended strand (participates in β ladder)trans-130.2146.9-176.1-66179.4175.3-1780112.8Q21 E35 L36 C38Q21-K26 HydrophobicContact CB-CB 4.46Å; Q21-K26 PolarHBondContact N-O 3.23Å; K26-E35 HydrophobicContact CD-CB 4.42Å; K26-E35 VanDerWaalsContact CD-OE2 3.31Å; K26-E35 WeakPolarHBondContact CD-OE2 3.44Å; K26-E35 WeakPolarHBondContact CE-OE2 3.44Å; K26-E35 IonicContact NZ-OE2 3.56Å; K26-E35 PolarHBondContact NZ-OE2 2.88Å; K26-L36 CarbonylContact C-O 3.57Å; K26-L36 WeakPolarHBondContact CA-O 3.48Å; K26-C38 VanDerWaalsContact C-SG 3.56Å; K26-C38 PolarHBondContact N-SG 3.1Å; K26-C38 VanDerWaalsContact N-SG 3.38Å
27V87Confident82.6Confident0 Ų070.3 Ų70.30%035%0.347CS..EExtended strand (participates in β ladder)trans-111.6129.8167.6179.40000108.2L12 L18 R19 L20 E35 L36 L43L12-V27 HydrophobicContact CD2-CG1 3.81Å; L12-V27 HydrophobicContact CD2-CG2 4.24Å; L18-V27 HydrophobicContact CB-CG1 3.76Å; L18-V27 HydrophobicContact CD2-CG1 4.3Å; L18-V27 HydrophobicContact CG-CG1 4.46Å; R19-V27 CarbonylContact O-C 3.51Å; R19-V27 WeakPolarHBondContact O-CA 3.41Å; L20-V27 HydrophobicContact CD1-CG2 4.25Å; V27-E35 CarbonylContact O-C 3.57Å; V27-E35 WeakPolarHBondContact O-CA 3.48Å; V27-L36 PolarHBondContact N-O 3.19Å; V27-L36 PolarHBondContact O-N 3.46Å; V27-L43 HydrophobicContact CB-CD2 4.09Å; V27-L43 HydrophobicContact CG1-CD2 4.27Å; V27-L43 HydrophobicContact CG2-CD1 4.33Å; V27-L43 HydrophobicContact CG2-CD2 4.2Å
28R87Confident82.5Confident135 Ų13570.5 Ų70.551%0.50935%0.348SS..EExtended strand (participates in β ladder)trans-106127.9174.6-169.1176.2178.9-154.9-1.4110.5R19 G33 H34 E35R19-R28 PolarHBondContact N-O 3.02Å; R19-R28 PolarHBondContact O-N 2.99Å; R28-G33 PolarHBondContact NE-O 2.84Å; R28-H34 WeakPolarHBondContact CA-O 3.33Å; R28-E35 HydrophobicContact CG-CG 4.39Å
29C87.1Confident82.5Confident0 Ų078 Ų780%038%0.376CS..EExtended strand (participates in β ladder)trans-83.8117.6175.2-174.90000110.5S17 L18 L31 T32 G33 H34 Y46S17-C29 CarbonylContact O-C 3.57Å; S17-C29 WeakPolarHBondContact O-CA 3.37Å; L18-C29 HydrophobicContact CD2-CB 3.67Å; C29-L31 VanDerWaalsContact C-N 3.25Å; C29-L31 PolarHBondContact O-N 3.21Å; C29-T32 WeakPolarHBondContact CB-OG1 3.24Å; C29-T32 PolarHBondContact O-N 3.18Å; C29-G33 WeakPolarHBondContact O-CA 3.49Å; C29-G33 PolarHBondContact O-N 2.85Å; C29-H34 PolarHBondContact N-O 2.94Å; C29-Y46 HydrophobicContact CB-CE1 4.02Å; C29-Y46 WeakPolarHBondContact CB-OH 3.19Å; C29-Y46 PolarHBondContact SG-OH 3.48Å
30I85.1Confident82.5Confident94 Ų9472 Ų7248%0.48236%0.356SS..THydrogen-bonded Turntrans-58.4-41179.6-49.1173.4000110.6S17 R19 T32S17-I30 PolarHBondContact O-N 3.37Å; R19-I30 HydrophobicContact CG-CD1 3.97Å; R19-I30 HydrophobicContact CG-CG1 4.19Å; I30-T32 VanDerWaalsContact C-N 3.25Å; I30-T32 PolarHBondContact O-N 3.38Å
31L81.4Confident82.6Confident50 Ų5072.5 Ų72.526%0.26236%0.364SS..THydrogen-bonded Turntrans-71.6-12.5-173.3-58.5179.4000114.6C29 L55 V56 S59C29-L31 VanDerWaalsContact C-N 3.25Å; C29-L31 PolarHBondContact O-N 3.21Å; L31-L55 HydrophobicContact CB-CB 4.17Å; L31-L55 HydrophobicContact CB-CD1 4.47Å; L31-L55 HydrophobicContact CD1-CB 4.14Å; L31-V56 HydrophobicContact CD1-CG2 3.74Å; L31-S59 WeakPolarHBondContact CD2-OG 3.48Å
32T83.3Confident82.9Confident33 Ų3374.7 Ų74.720%0.20237%0.374CS..THydrogen-bonded Turntrans-134.9-11.9-177.758.80000114.4C29 I30 H34 Y46 L55C29-T32 WeakPolarHBondContact CB-OG1 3.24Å; C29-T32 PolarHBondContact O-N 3.18Å; I30-T32 VanDerWaalsContact C-N 3.25Å; I30-T32 PolarHBondContact O-N 3.38Å; T32-H34 PolarHBondContact O-N 3.03Å; T32-H34 WeakPolarHBondContact OG1-CB 3.44Å; T32-H34 PolarHBondContact OG1-N 3Å; T32-Y46 VanDerWaalsContact CG2-OH 3.26Å; T32-Y46 WeakPolarHBondContact CG2-OH 3.44Å; T32-Y46 PolarHBondContact OG1-OH 3.12Å; T32-L55 HydrophobicContact CG2-CD1 3.36Å
33G83.4Confident83.6Confident33 Ų3368.8 Ų68.834%0.3434%0.336SS..  trans74.8-11.8-168.900000114.8R28 C29R28-G33 PolarHBondContact NE-O 2.84Å; C29-G33 WeakPolarHBondContact O-CA 3.49Å; C29-G33 PolarHBondContact O-N 2.85Å
34H87.1Confident84.6Confident88 Ų8866.9 Ų66.941%0.40732%0.323SS..  trans-67.5135.5-171.3-70.8-37000113.1R28 C29 T32 K51R28-H34 WeakPolarHBondContact CA-O 3.33Å; C29-H34 PolarHBondContact N-O 2.94Å; T32-H34 PolarHBondContact O-N 3.03Å; T32-H34 WeakPolarHBondContact OG1-CB 3.44Å; T32-H34 PolarHBondContact OG1-N 3Å; H34-K51 PolarHBondContact NE2-NZ 3.41Å
35E89.8Confident85.8Confident97 Ų9770.9 Ų70.945%0.45335%0.346SS..EExtended strand (participates in β ladder)trans-89.7141.8170-63.8177.7-173.100110.7K26 V27 R28K26-E35 HydrophobicContact CD-CB 4.42Å; K26-E35 VanDerWaalsContact CD-OE2 3.31Å; K26-E35 WeakPolarHBondContact CD-OE2 3.44Å; K26-E35 WeakPolarHBondContact CE-OE2 3.44Å; K26-E35 IonicContact NZ-OE2 3.56Å; K26-E35 PolarHBondContact NZ-OE2 2.88Å; V27-E35 CarbonylContact O-C 3.57Å; V27-E35 WeakPolarHBondContact O-CA 3.48Å; R28-E35 HydrophobicContact CG-CG 4.39Å
36L88.1Confident86.5Confident26 Ų2662.5 Ų62.514%0.13631%0.314CS..EExtended strand (participates in β ladder)trans-137.5141.6-178.5-62.1165.4000108.7K26 V27 L43 Y46K26-L36 CarbonylContact C-O 3.57Å; K26-L36 WeakPolarHBondContact CA-O 3.48Å; V27-L36 PolarHBondContact N-O 3.19Å; V27-L36 PolarHBondContact O-N 3.46Å; L36-L43 HydrophobicContact CB-CD2 3.9Å; L36-L43 HydrophobicContact CD1-CD2 3.92Å; L36-Y46 HydrophobicContact CD1-CD1 3.41Å; L36-Y46 VanDerWaalsContact CD1-CD1 3.41Å; L36-Y46 HydrophobicContact CD1-CD2 3.9Å; L36-Y46 HydrophobicContact CD1-CE1 3.8Å; L36-Y46 HydrophobicContact CD1-CE2 4.26Å; L36-Y46 HydrophobicContact CD1-CG 3.46Å; L36-Y46 VanDerWaalsContact CD1-CG 3.46Å; L36-Y46 HydrophobicContact CD2-CD2 3.97Å; L36-Y46 HydrophobicContact CD2-CG 4.13Å; L36-Y46 HydrophobicContact CG-CG 4.44Å
37P86.1Confident86.6Confident61 Ų6158.9 Ų58.940%0.39630%0.3SS..EExtended strand (participates in β ladder)trans-60.7152.4170.9-25.737.5000112.5R39 E42P37-R39 HydrophobicContact CB-CG 4.37Å; P37-R39 PolarHBondContact O-N 3.28Å; P37-E42 WeakPolarHBondContact CB-OE2 3.34Å; P37-E42 VanDerWaalsContact CD-OE2 3.29Å; P37-E42 WeakPolarHBondContact CD-OE2 3.39Å; P37-E42 WeakPolarHBondContact CG-OE2 3.38Å
38C82.5Confident86.7Confident20 Ų2066.6 Ų66.614%0.13533%0.329CS..SBendtrans-72.848.7177.2-67.60000113.9L4 A24 R25 K26L4-C38 HydrophobicContact CD2-CB 4.22Å; A24-C38 PolarHBondContact O-SG 2.83Å; A24-C38 VanDerWaalsContact O-SG 3.34Å; R25-C38 PolarHBondContact O-N 3.36Å; R25-C38 PolarHBondContact O-SG 3.49Å; K26-C38 VanDerWaalsContact C-SG 3.56Å; K26-C38 PolarHBondContact N-SG 3.1Å; K26-C38 VanDerWaalsContact N-SG 3.38Å
39R86.3Confident86.9Confident166 Ų16661.4 Ų61.463%0.62632%0.317SS*.  trans-117.6124.7-178.5-63.6-62.5-168.5177.11.9111.1P37 E42 L43P37-R39 HydrophobicContact CB-CG 4.37Å; P37-R39 PolarHBondContact O-N 3.28Å; R39-E42 HydrophobicContact CB-CB 4.39Å; R39-E42 HydrophobicContact CB-CG 4.23Å; R39-E42 WeakPolarHBondContact CB-OE1 3.28Å; R39-E42 VanDerWaalsContact CG-OE1 3.28Å; R39-E42 WeakPolarHBondContact CG-OE1 3.35Å; R39-E42 PolarHBondContact O-N 3.31Å; R39-L43 WeakPolarHBondContact O-CG 3.27Å; R39-L43 PolarHBondContact O-N 2.82Å
40L85.2Confident86.8Confident46 Ų4669.3 Ų69.324%0.24135%0.352CS..Hα-helixtrans-45.9-51.9178.7-67.8172.4000115.2D7 V8 F11 E42 L43 Q44D7-L40 HydrophobicContact CB-CD1 3.61Å; D7-L40 HydrophobicContact CB-CD2 3.86Å; D7-L40 HydrophobicContact CB-CG 4.3Å; V8-L40 HydrophobicContact CB-CD2 4.33Å; V8-L40 HydrophobicContact CG2-CD2 3.63Å; V8-L40 HydrophobicContact CG2-CG 3.79Å; F11-L40 HydrophobicContact CB-CD2 4.48Å; L40-E42 PolarHBondContact O-N 3.02Å; L40-L43 PolarHBondContact O-N 3.28Å; L40-Q44 WeakPolarHBondContact O-CB 3.35Å; L40-Q44 WeakPolarHBondContact O-CG 3.48Å; L40-Q44 PolarHBondContact O-N 3.39Å
41P87.8Confident86.9Confident85 Ų8570.5 Ų70.555%0.55235%0.353SS*.Hα-helixtrans-65.2-38.5-175.724.8-34.8000112.5Q44 V45P41-Q44 PolarHBondContact O-N 2.84Å; P41-V45 WeakPolarHBondContact O-CB 3.45Å; P41-V45 VanDerWaalsContact O-CG2 3.3Å; P41-V45 WeakPolarHBondContact O-CG2 3.36Å; P41-V45 PolarHBondContact O-N 3.44Å
42E88Confident87.1Confident86 Ų8668.4 Ų68.440%0.40234%0.342SS..Hα-helixtrans-67.4-44.7179.3-63.9168.8-126.900111P37 R39 L40 V45 Y46P37-E42 WeakPolarHBondContact CB-OE2 3.34Å; P37-E42 VanDerWaalsContact CD-OE2 3.29Å; P37-E42 WeakPolarHBondContact CD-OE2 3.39Å; P37-E42 WeakPolarHBondContact CG-OE2 3.38Å; R39-E42 HydrophobicContact CB-CB 4.39Å; R39-E42 HydrophobicContact CB-CG 4.23Å; R39-E42 WeakPolarHBondContact CB-OE1 3.28Å; R39-E42 VanDerWaalsContact CG-OE1 3.28Å; R39-E42 WeakPolarHBondContact CG-OE1 3.35Å; R39-E42 PolarHBondContact O-N 3.31Å; L40-E42 PolarHBondContact O-N 3.02Å; E42-V45 PolarHBondContact O-N 3.1Å; E42-Y46 WeakPolarHBondContact O-CB 3.49Å; E42-Y46 PolarHBondContact O-N 3.05Å
43L86.8Confident87.2Confident0 Ų070.8 Ų70.80%035%0.351CS..Hα-helixtrans-61.1-43.9173.4-65.1174000111.4V8 F11 V27 L36 R39 L40 Y46 T47V8-L43 HydrophobicContact CG1-CD1 4.29Å; F11-L43 HydrophobicContact CD1-CB 4.14Å; F11-L43 HydrophobicContact CD1-CD1 4.39Å; F11-L43 HydrophobicContact CE1-CB 3.61Å; F11-L43 HydrophobicContact CZ-CB 4.24Å; V27-L43 HydrophobicContact CB-CD2 4.09Å; V27-L43 HydrophobicContact CG1-CD2 4.27Å; V27-L43 HydrophobicContact CG2-CD1 4.33Å; V27-L43 HydrophobicContact CG2-CD2 4.2Å; L36-L43 HydrophobicContact CB-CD2 3.9Å; L36-L43 HydrophobicContact CD1-CD2 3.92Å; R39-L43 WeakPolarHBondContact O-CG 3.27Å; R39-L43 PolarHBondContact O-N 2.82Å; L40-L43 PolarHBondContact O-N 3.28Å; L43-Y46 PolarHBondContact O-N 3.37Å; L43-T47 WeakPolarHBondContact O-CG2 3.41Å; L43-T47 PolarHBondContact O-N 3.19Å; L43-T47 PolarHBondContact O-OG1 3.33Å
44Q88.8Confident87.2Confident62 Ų6278.1 Ų78.129%0.2937%0.368SS..Hα-helixtrans-64.6-40.7175.9-75.5-176.223.600113.2F11 L40 P41 Y46 T47 R48F11-Q44 HydrophobicContact CD2-CG 4.44Å; F11-Q44 HydrophobicContact CE2-CG 3.7Å; F11-Q44 HydrophobicContact CZ-CG 4.07Å; L40-Q44 WeakPolarHBondContact O-CB 3.35Å; L40-Q44 WeakPolarHBondContact O-CG 3.48Å; L40-Q44 PolarHBondContact O-N 3.39Å; P41-Q44 PolarHBondContact O-N 2.84Å; Q44-Y46 VanDerWaalsContact C-N 3.33Å; Q44-T47 PolarHBondContact O-N 3.5Å; Q44-R48 VanDerWaalsContact O-CB 3.26Å; Q44-R48 WeakPolarHBondContact O-CB 3.34Å; Q44-R48 WeakPolarHBondContact O-CD 3.38Å; Q44-R48 WeakPolarHBondContact O-CG 3.31Å; Q44-R48 PolarHBondContact O-N 3.38Å
45V91.6Very high86.9Confident105 Ų10576.5 Ų76.564%0.63636%0.363SS*.Hα-helixtrans-63.1-42.8175.1166.30000110.2P41 E42 G49P41-V45 WeakPolarHBondContact O-CB 3.45Å; P41-V45 VanDerWaalsContact O-CG2 3.3Å; P41-V45 WeakPolarHBondContact O-CG2 3.36Å; P41-V45 PolarHBondContact O-N 3.44Å; E42-V45 PolarHBondContact O-N 3.1Å; V45-G49 PolarHBondContact O-N 3.22Å; V45-G49 VanDerWaalsContact O-N 3.11Å
46Y88.9Confident86.5Confident36 Ų3674.9 Ų74.914%0.14136%0.359CS..Hα-helixtrans-63-46.2176.9177.2-98000112.7L18 C29 T32 L36 E42 L43 Q44 G49 Y52L18-Y46 HydrophobicContact CD2-CD1 4.5Å; L18-Y46 HydrophobicContact CD2-CE1 4.11Å; C29-Y46 HydrophobicContact CB-CE1 4.02Å; C29-Y46 WeakPolarHBondContact CB-OH 3.19Å; C29-Y46 PolarHBondContact SG-OH 3.48Å; T32-Y46 VanDerWaalsContact CG2-OH 3.26Å; T32-Y46 WeakPolarHBondContact CG2-OH 3.44Å; T32-Y46 PolarHBondContact OG1-OH 3.12Å; L36-Y46 HydrophobicContact CD1-CD1 3.41Å; L36-Y46 VanDerWaalsContact CD1-CD1 3.41Å; L36-Y46 HydrophobicContact CD1-CD2 3.9Å; L36-Y46 HydrophobicContact CD1-CE1 3.8Å; L36-Y46 HydrophobicContact CD1-CE2 4.26Å; L36-Y46 HydrophobicContact CD1-CG 3.46Å; L36-Y46 VanDerWaalsContact CD1-CG 3.46Å; L36-Y46 HydrophobicContact CD2-CD2 3.97Å; L36-Y46 HydrophobicContact CD2-CG 4.13Å; L36-Y46 HydrophobicContact CG-CG 4.44Å; E42-Y46 WeakPolarHBondContact O-CB 3.49Å; E42-Y46 PolarHBondContact O-N 3.05Å; L43-Y46 PolarHBondContact O-N 3.37Å; Q44-Y46 VanDerWaalsContact C-N 3.33Å; Y46-G49 WeakPolarHBondContact O-CA 3.34Å; Y46-G49 PolarHBondContact O-N 2.98Å; Y46-Y52 HydrophobicContact CD1-CD2 4.12Å; Y46-Y52 HydrophobicContact CD1-CG 4.37Å; Y46-Y52 AromaticContact CE1-CD2 3.37Å; Y46-Y52 HydrophobicContact CE1-CD2 3.37Å; Y46-Y52 AromaticContact CE1-CE2 3.95Å; Y46-Y52 HydrophobicContact CE1-CE2 3.95Å; Y46-Y52 AromaticContact CE1-CG 3.96Å; Y46-Y52 HydrophobicContact CE1-CG 3.96Å; Y46-Y52 WeakPolarHBondContact O-CB 3.45Å
47T88Confident85.9Confident14 Ų1481.7 Ų81.79%0.08638%0.383CS..Hα-helixtrans-76.8-26.3-177.9680000113.8F11 L18 L43 Q44 G49 Y52 Q53F11-T47 HydrophobicContact CE1-CG2 4.04Å; F11-T47 HydrophobicContact CZ-CG2 3.88Å; F11-T47 WeakPolarHBondContact CZ-OG1 3.13Å; L18-T47 HydrophobicContact CD1-CG2 4.01Å; L43-T47 WeakPolarHBondContact O-CG2 3.41Å; L43-T47 PolarHBondContact O-N 3.19Å; L43-T47 PolarHBondContact O-OG1 3.33Å; Q44-T47 PolarHBondContact O-N 3.5Å; T47-G49 PolarHBondContact O-N 2.81Å; T47-Y52 VanDerWaalsContact CA-CD1 3.42Å; T47-Y52 VanDerWaalsContact CB-CE1 3.48Å; T47-Y52 HydrophobicContact CG2-CD1 3.95Å; T47-Y52 HydrophobicContact CG2-CE1 3.51Å; T47-Y52 HydrophobicContact CG2-CE2 4.29Å; T47-Y52 HydrophobicContact CG2-CG 4.47Å; T47-Y52 WeakPolarHBondContact O-CD1 3.26Å; T47-Q53 WeakPolarHBondContact O-CG 3.26Å
48R88.5Confident85.1Confident161 Ų16182.3 Ų82.361%0.60839%0.393SS*.Hα-helixtrans-70.4-14164.5-68.5171.2-175.7154.29.6112.4Q44 Q53Q44-R48 VanDerWaalsContact O-CB 3.26Å; Q44-R48 WeakPolarHBondContact O-CB 3.34Å; Q44-R48 WeakPolarHBondContact O-CD 3.38Å; Q44-R48 WeakPolarHBondContact O-CG 3.31Å; Q44-R48 PolarHBondContact O-N 3.38Å; R48-Q53 PolarHBondContact O-NE2 2.89Å
49G90.6Very high84.2Confident26 Ų2684.5 Ų84.527%0.26841%0.408SS..SBendtrans-66.1132179.200000113.7V45 Y46 T47 K51 Y52 Q53V45-G49 PolarHBondContact O-N 3.22Å; V45-G49 VanDerWaalsContact O-N 3.11Å; Y46-G49 WeakPolarHBondContact O-CA 3.34Å; Y46-G49 PolarHBondContact O-N 2.98Å; T47-G49 PolarHBondContact O-N 2.81Å; G49-K51 PolarHBondContact O-N 3.21Å; G49-Y52 PolarHBondContact O-N 3.04Å; G49-Y52 VanDerWaalsContact O-N 3.07Å; G49-Q53 PolarHBondContact O-N 2.74Å; G49-Q53 VanDerWaalsContact O-N 3.11Å
50K86.8Confident83.1Confident167 Ų16779.8 Ų79.873%0.72640%0.4SS*.Hα-helixtrans-53.7-29.4-179.3-63.8177.9-177.6174.20113.9R54K50-R54 WeakPolarHBondContact O-CB 3.43Å; K50-R54 WeakPolarHBondContact O-CD 3.49Å; K50-R54 WeakPolarHBondContact O-CG 3.39Å; K50-R54 PolarHBondContact O-N 3.44Å
51K85.4Confident82.2Confident118 Ų11882.3 Ų82.351%0.51343%0.427SS..Hα-helixtrans-66.5-51.9176.4-172.5-178.6-179-175.40111.3H34 G49 R54 L55H34-K51 PolarHBondContact NE2-NZ 3.41Å; G49-K51 PolarHBondContact O-N 3.21Å; K51-R54 PolarHBondContact O-N 2.76Å; K51-L55 HydrophobicContact CG-CD1 4.24Å; K51-L55 WeakPolarHBondContact O-CG 3.4Å; K51-L55 PolarHBondContact O-N 3.03Å
52Y86.2Confident81.3Confident7 Ų780.4 Ų80.43%0.02741%0.41CS..Hα-helixtrans-64.6-46.2179.7177.8-97.4000111.7H15 S17 L18 Y46 T47 G49 R54 L55 V56H15-Y52 WeakPolarHBondContact CB-OH 3.01Å; S17-Y52 PolarHBondContact OG-OH 2.94Å; L18-Y52 HydrophobicContact CD2-CE2 4.19Å; L18-Y52 HydrophobicContact CG-CE2 4.47Å; Y46-Y52 HydrophobicContact CD1-CD2 4.12Å; Y46-Y52 HydrophobicContact CD1-CG 4.37Å; Y46-Y52 AromaticContact CE1-CD2 3.37Å; Y46-Y52 HydrophobicContact CE1-CD2 3.37Å; Y46-Y52 AromaticContact CE1-CE2 3.95Å; Y46-Y52 HydrophobicContact CE1-CE2 3.95Å; Y46-Y52 AromaticContact CE1-CG 3.96Å; Y46-Y52 HydrophobicContact CE1-CG 3.96Å; Y46-Y52 WeakPolarHBondContact O-CB 3.45Å; T47-Y52 VanDerWaalsContact CA-CD1 3.42Å; T47-Y52 VanDerWaalsContact CB-CE1 3.48Å; T47-Y52 HydrophobicContact CG2-CD1 3.95Å; T47-Y52 HydrophobicContact CG2-CE1 3.51Å; T47-Y52 HydrophobicContact CG2-CE2 4.29Å; T47-Y52 HydrophobicContact CG2-CG 4.47Å; T47-Y52 WeakPolarHBondContact O-CD1 3.26Å; G49-Y52 PolarHBondContact O-N 3.04Å; G49-Y52 VanDerWaalsContact O-N 3.07Å; Y52-R54 VanDerWaalsContact C-N 3.31Å; Y52-R54 PolarHBondContact O-N 3.43Å; Y52-L55 PolarHBondContact O-N 3.4Å; Y52-V56 HydrophobicContact CD1-CG2 3.91Å; Y52-V56 HydrophobicContact CD2-CG2 4.25Å; Y52-V56 HydrophobicContact CE1-CG2 3.54Å; Y52-V56 HydrophobicContact CE2-CG2 3.9Å; Y52-V56 HydrophobicContact CG-CG2 4.29Å; Y52-V56 PolarHBondContact O-N 3.4Å
53Q85.9Confident81Confident83 Ų8381.5 Ų81.539%0.38842%0.419SS..Hα-helixtrans-59.5-38.7179.9-67-175-10.100113.2T47 R48 G49 R57T47-Q53 WeakPolarHBondContact O-CG 3.26Å; R48-Q53 PolarHBondContact O-NE2 2.89Å; G49-Q53 PolarHBondContact O-N 2.74Å; G49-Q53 VanDerWaalsContact O-N 3.11Å; Q53-R57 VanDerWaalsContact O-CG 3.28Å; Q53-R57 WeakPolarHBondContact O-CG 3.43Å; Q53-R57 PolarHBondContact O-N 3.09Å; Q53-R57 VanDerWaalsContact O-N 3.15Å
54R83.1Confident80.7Confident187 Ų18784.7 Ų84.771%0.70643%0.433SS*.Hα-helixtrans-63.1-42.7174.3-76.8170.6178.8-176.6-1.9111.9K50 K51 Y52 A58K50-R54 WeakPolarHBondContact O-CB 3.43Å; K50-R54 WeakPolarHBondContact O-CD 3.49Å; K50-R54 WeakPolarHBondContact O-CG 3.39Å; K50-R54 PolarHBondContact O-N 3.44Å; K51-R54 PolarHBondContact O-N 2.76Å; Y52-R54 VanDerWaalsContact C-N 3.31Å; Y52-R54 PolarHBondContact O-N 3.43Å; R54-A58 WeakPolarHBondContact O-CB 3.46Å; R54-A58 PolarHBondContact O-N 2.9Å
55L81.2Confident80.4Confident54 Ų5485 Ų8528%0.28345%0.446SS..Hα-helixtrans-70.1-45-179-68.3163.9000111.4L31 T32 K51 Y52 R57 A58 S59L31-L55 HydrophobicContact CB-CB 4.17Å; L31-L55 HydrophobicContact CB-CD1 4.47Å; L31-L55 HydrophobicContact CD1-CB 4.14Å; T32-L55 HydrophobicContact CG2-CD1 3.36Å; K51-L55 HydrophobicContact CG-CD1 4.24Å; K51-L55 WeakPolarHBondContact O-CG 3.4Å; K51-L55 PolarHBondContact O-N 3.03Å; Y52-L55 PolarHBondContact O-N 3.4Å; L55-R57 VanDerWaalsContact C-N 3.3Å; L55-R57 PolarHBondContact O-N 2.95Å; L55-A58 CarbonylContact O-C 3.24Å; L55-A58 WeakPolarHBondContact O-CA 3.34Å; L55-A58 PolarHBondContact O-N 3.35Å; L55-S59 WeakPolarHBondContact O-CB 3.22Å; L55-S59 PolarHBondContact O-N 3.28Å; L55-S59 PolarHBondContact O-OG 2.94Å
56V81.6Confident80.1Confident62 Ų6286.9 Ų86.938%0.37645%0.448SS..Hα-helixtrans-58-41.6174.9172.80000111.7L31 Y52 A58 S59L31-V56 HydrophobicContact CD1-CG2 3.74Å; Y52-V56 HydrophobicContact CD1-CG2 3.91Å; Y52-V56 HydrophobicContact CD2-CG2 4.25Å; Y52-V56 HydrophobicContact CE1-CG2 3.54Å; Y52-V56 HydrophobicContact CE2-CG2 3.9Å; Y52-V56 HydrophobicContact CG-CG2 4.29Å; Y52-V56 PolarHBondContact O-N 3.4Å; V56-A58 VanDerWaalsContact C-N 3.29Å; V56-A58 PolarHBondContact O-N 2.82Å; V56-S59 PolarHBondContact O-N 2.87Å
57R75.6Confident79.9Confident170 Ų17086.6 Ų86.664%0.64245%0.448SS*.Hα-helixtrans-67.3-25.6174-70.3176.1-172.1-160.82.5114.1Q53 L55 P60Q53-R57 VanDerWaalsContact O-CG 3.28Å; Q53-R57 WeakPolarHBondContact O-CG 3.43Å; Q53-R57 PolarHBondContact O-N 3.09Å; Q53-R57 VanDerWaalsContact O-N 3.15Å; L55-R57 VanDerWaalsContact C-N 3.3Å; L55-R57 PolarHBondContact O-N 2.95Å; R57-P60 VanDerWaalsContact O-CD 3.22Å; R57-P60 WeakPolarHBondContact O-CD 3.35Å
58A68.9Low79.7Confident74 Ų7491 Ų9161%0.61247%0.467SS*.Hα-helixtrans-88.9-5.8175.400000113.3R54 L55 V56R54-A58 WeakPolarHBondContact O-CB 3.46Å; R54-A58 PolarHBondContact O-N 2.9Å; L55-A58 CarbonylContact O-C 3.24Å; L55-A58 WeakPolarHBondContact O-CA 3.34Å; L55-A58 PolarHBondContact O-N 3.35Å; V56-A58 VanDerWaalsContact C-N 3.29Å; V56-A58 PolarHBondContact O-N 2.82Å
59S62.4Low79.6Confident65 Ų6587.2 Ų87.246%0.45546%0.463SS..  trans-113.122.9-178.2-57.50000117.4L31 L55 V56 A61L31-S59 WeakPolarHBondContact CD2-OG 3.48Å; L55-S59 WeakPolarHBondContact O-CB 3.22Å; L55-S59 PolarHBondContact O-N 3.28Å; L55-S59 PolarHBondContact O-OG 2.94Å; V56-S59 PolarHBondContact O-N 2.87Å; S59-A61 PolarHBondContact O-N 3.41Å
60P63.8Low79.6Confident68 Ų6887.5 Ų87.544%0.44246%0.458SS..  trans-68.1129.8154.431.3-29.7000108.2R57 F62 P94R57-P60 VanDerWaalsContact O-CD 3.22Å; R57-P60 WeakPolarHBondContact O-CD 3.35Å; P60-F62 PolarHBondContact O-N 3.29Å; P60-F62 VanDerWaalsContact O-N 3.1Å; P60-P94 HydrophobicContact CG-CG 4.24Å
61A66.7Low79.8Confident99 Ų9979.8 Ų79.882%0.81842%0.424SS*.  trans-63.6109.4154.200000105.7S59S59-A61 PolarHBondContact O-N 3.41Å
62F69Low80Confident44 Ų4476 Ų7619%0.19341%0.411CS..  trans-110.4120.2-176.6179.4-94.8000108.1P60 F64 F67 P94 V97 L98P60-F62 PolarHBondContact O-N 3.29Å; P60-F62 VanDerWaalsContact O-N 3.1Å; F62-F64 VanDerWaalsContact C-N 3.32Å; F62-F64 AromaticContact CD1-CD1 3.66Å; F62-F64 HydrophobicContact CD1-CD1 3.66Å; F62-F64 HydrophobicContact CD1-CD2 4.37Å; F62-F64 AromaticContact CD1-CE1 3.6Å; F62-F64 HydrophobicContact CD1-CE1 3.6Å; F62-F64 HydrophobicContact CD1-CE2 4.31Å; F62-F64 HydrophobicContact CD1-CG 4.06Å; F62-F64 AromaticContact CD1-CZ 3.94Å; F62-F64 HydrophobicContact CD1-CZ 3.94Å; F62-F64 AromaticContact CE1-CD1 3.91Å; F62-F64 HydrophobicContact CE1-CD1 3.91Å; F62-F64 HydrophobicContact CE1-CE1 4.04Å; F62-F64 WeakPolarHBondContact O-CD2 3.41Å; F62-F64 WeakPolarHBondContact O-CE2 3.09Å; F62-F64 PolarHBondContact O-N 2.78Å; F62-F67 HydrophobicContact CE1-CD2 4.12Å; F62-F67 AromaticContact CE1-CE2 3.51Å; F62-F67 HydrophobicContact CE1-CE2 3.51Å; F62-F67 HydrophobicContact CE1-CZ 4.37Å; F62-F67 HydrophobicContact CZ-CD2 4.43Å; F62-F67 AromaticContact CZ-CE2 3.42Å; F62-F67 HydrophobicContact CZ-CE2 3.42Å; F62-F67 VanDerWaalsContact CZ-CE2 3.42Å; F62-F67 AromaticContact CZ-CZ 3.88Å; F62-F67 HydrophobicContact CZ-CZ 3.88Å; F62-P94 HydrophobicContact CB-CB 3.97Å; F62-P94 HydrophobicContact CB-CG 4.43Å; F62-P94 HydrophobicContact CD1-CB 3.86Å; F62-P94 HydrophobicContact CD2-CB 3.68Å; F62-P94 HydrophobicContact CE1-CB 4.2Å; F62-P94 HydrophobicContact CE2-CB 4.05Å; F62-P94 HydrophobicContact CG-CB 3.56Å; F62-P94 HydrophobicContact CZ-CB 4.29Å; F62-V97 HydrophobicContact CE1-CG1 4.46Å; F62-L98 HydrophobicContact CE2-CD1 4.19Å; F62-L98 HydrophobicContact CE2-CD2 4.36Å; F62-L98 HydrophobicContact CE2-CG 4.35Å; F62-L98 HydrophobicContact CZ-CD1 4.41Å; F62-L98 HydrophobicContact CZ-CD2 4.04Å; F62-L98 HydrophobicContact CZ-CG 4.08Å
63D80.6Confident80.2Confident110 Ų11078.9 Ų78.959%0.58843%0.431SS*.  trans-79.583.1-171-63.1-48.4000110.7A65 E66D63-A65 PolarHBondContact O-N 3.14Å; D63-E66 PolarHBondContact O-N 2.75Å; D63-E66 VanDerWaalsContact O-N 3.07Å
64F82.1Confident80.4Confident66 Ų6675.5 Ų75.529%0.28942%0.416SS..G310 helixtrans-55.4-16.7177.7-62.9-77.9000113.7F62 E66 F67 L81 V97F62-F64 VanDerWaalsContact C-N 3.32Å; F62-F64 AromaticContact CD1-CD1 3.66Å; F62-F64 HydrophobicContact CD1-CD1 3.66Å; F62-F64 HydrophobicContact CD1-CD2 4.37Å; F62-F64 AromaticContact CD1-CE1 3.6Å; F62-F64 HydrophobicContact CD1-CE1 3.6Å; F62-F64 HydrophobicContact CD1-CE2 4.31Å; F62-F64 HydrophobicContact CD1-CG 4.06Å; F62-F64 AromaticContact CD1-CZ 3.94Å; F62-F64 HydrophobicContact CD1-CZ 3.94Å; F62-F64 AromaticContact CE1-CD1 3.91Å; F62-F64 HydrophobicContact CE1-CD1 3.91Å; F62-F64 HydrophobicContact CE1-CE1 4.04Å; F62-F64 WeakPolarHBondContact O-CD2 3.41Å; F62-F64 WeakPolarHBondContact O-CE2 3.09Å; F62-F64 PolarHBondContact O-N 2.78Å; F64-E66 PolarHBondContact O-N 3.32Å; F64-F67 PolarHBondContact O-N 3.03Å; F64-F67 VanDerWaalsContact O-N 3.13Å; F64-L81 HydrophobicContact CD1-CD1 3.67Å; F64-L81 HydrophobicContact CE1-CD1 4.09Å; F64-L81 HydrophobicContact CG-CD1 4.37Å; F64-V97 HydrophobicContact CD1-CG2 4.05Å; F64-V97 HydrophobicContact CE1-CG2 3.85Å
65A82.7Confident80.6Confident70 Ų7073.5 Ų73.558%0.57943%0.425SS*.G310 helixtrans-56.2-31.3172.800000113.5D63 F67 E68D63-A65 PolarHBondContact O-N 3.14Å; A65-F67 PolarHBondContact O-N 3.3Å; A65-E68 PolarHBondContact O-N 3.09Å; A65-E68 VanDerWaalsContact O-N 3.15Å
66E84.7Confident80.9Confident144 Ų14478.9 Ų78.967%0.67345%0.446SS*.G310 helixtrans-58-17175.2-67.2-176.4165.500113.8D63 F64D63-E66 PolarHBondContact O-N 2.75Å; D63-E66 VanDerWaalsContact O-N 3.07Å; F64-E66 PolarHBondContact O-N 3.32Å
67F85.1Confident81Confident30 Ų3079.1 Ų79.113%0.13245%0.445CS..G310 helixtrans-111.2-0.3-175.8-53.5-79000113.5F62 F64 A65 H70 I71 V97 L98 T101F62-F67 HydrophobicContact CE1-CD2 4.12Å; F62-F67 AromaticContact CE1-CE2 3.51Å; F62-F67 HydrophobicContact CE1-CE2 3.51Å; F62-F67 HydrophobicContact CE1-CZ 4.37Å; F62-F67 HydrophobicContact CZ-CD2 4.43Å; F62-F67 AromaticContact CZ-CE2 3.42Å; F62-F67 HydrophobicContact CZ-CE2 3.42Å; F62-F67 VanDerWaalsContact CZ-CE2 3.42Å; F62-F67 AromaticContact CZ-CZ 3.88Å; F62-F67 HydrophobicContact CZ-CZ 3.88Å; F64-F67 PolarHBondContact O-N 3.03Å; F64-F67 VanDerWaalsContact O-N 3.13Å; A65-F67 PolarHBondContact O-N 3.3Å; F67-H70 PolarHBondContact O-N 2.88Å; F67-H70 VanDerWaalsContact O-N 3.13Å; F67-I71 HydrophobicContact CB-CB 3.92Å; F67-I71 HydrophobicContact CB-CD1 4.13Å; F67-I71 HydrophobicContact CB-CG1 4.25Å; F67-I71 PolarHBondContact O-N 2.86Å; F67-V97 HydrophobicContact CD1-CG1 4.2Å; F67-V97 HydrophobicContact CD2-CG1 3.89Å; F67-V97 HydrophobicContact CE1-CG1 4.45Å; F67-V97 HydrophobicContact CE2-CG1 4.18Å; F67-V97 HydrophobicContact CG-CG1 3.91Å; F67-V97 HydrophobicContact CZ-CG1 4.45Å; F67-L98 HydrophobicContact CZ-CD2 4.15Å; F67-T101 HydrophobicContact CD1-CG2 3.74Å; F67-T101 HydrophobicContact CE1-CG2 4.05Å
68E83.6Confident81.5Confident107 Ų10775.3 Ų75.350%0.544%0.442SS..THydrogen-bonded Turntrans-73.7142.8163.3-59.7-158145.900108.8A65A65-E68 PolarHBondContact O-N 3.09Å; A65-E68 VanDerWaalsContact O-N 3.15Å
69P86.6Confident82.3Confident80 Ų8079.2 Ų79.252%0.51945%0.448SS..THydrogen-bonded Turncis-90.61.414.136.9-37.9000115V72 K84P69-V72 WeakPolarHBondContact O-CG2 3.46Å; P69-K84 WeakPolarHBondContact O-CD 3.15Å; P69-K84 WeakPolarHBondContact O-CE 3.36Å; P69-K84 PolarHBondContact O-NZ 3.15Å
70H89.3Confident83.7Confident33 Ų3378.1 Ų78.115%0.15344%0.435CS..THydrogen-bonded Turntrans-87-35.4-168.7-62.7-51.1000114.6F67 C83 K84 L85 Y106 Y113F67-H70 PolarHBondContact O-N 2.88Å; F67-H70 VanDerWaalsContact O-N 3.13Å; H70-C83 WeakPolarHBondContact O-CA 3.37Å; H70-K84 PolarHBondContact O-N 2.9Å; H70-L85 HydrophobicContact CB-CD1 4.13Å; H70-L85 HydrophobicContact CB-CG 4.24Å; H70-Y106 HydrophobicContact CB-CE2 4.44Å; H70-Y106 WeakPolarHBondContact CB-OH 3.44Å; H70-Y113 AromaticContact CE1-CD1 3.85Å; H70-Y113 AromaticContact CE1-CE1 3.61Å
71I91.3Very high85.1Confident4 Ų475.2 Ų75.22%0.02142%0.416CS..EExtended strand (participates in β ladder)trans-112.8101.2179.1-58.3-174.7000107.8F67 L81 C83 I90 V97 T101 Y106F67-I71 HydrophobicContact CB-CB 3.92Å; F67-I71 HydrophobicContact CB-CD1 4.13Å; F67-I71 HydrophobicContact CB-CG1 4.25Å; F67-I71 PolarHBondContact O-N 2.86Å; I71-L81 HydrophobicContact CG2-CB 3.64Å; I71-L81 HydrophobicContact CG2-CD1 3.7Å; I71-L81 HydrophobicContact CG2-CG 4.25Å; I71-C83 HydrophobicContact CG1-CB 4.34Å; I71-I90 HydrophobicContact CD1-CD1 4.29Å; I71-V97 HydrophobicContact CD1-CG1 4.05Å; I71-T101 HydrophobicContact CD1-CG2 3.58Å; I71-Y106 HydrophobicContact CD1-CE2 4.35Å; I71-Y106 HydrophobicContact CG1-CE2 4.35Å
72V90.1Very high86.3Confident40 Ų4073.3 Ų73.324%0.24239%0.389CS..EExtended strand (participates in β ladder)trans-115.1151.5-173.1174.50000109.2P69 S74 L81 F82P69-V72 WeakPolarHBondContact O-CG2 3.46Å; V72-S74 PolarHBondContact O-N 3.13Å; V72-L81 CarbonylContact O-C 3.57Å; V72-L81 WeakPolarHBondContact O-CA 3.19Å; V72-F82 PolarHBondContact N-O 3.48Å; V72-F82 PolarHBondContact O-N 3.28Å
73P90.1Very high87.5Confident67 Ų6771.2 Ų71.244%0.43538%0.38SS..EExtended strand (participates in β ladder)trans-49.4135.1171.3-29.537.2000113T75 L81P73-T75 PolarHBondContact O-N 3.39Å; P73-L81 HydrophobicContact CG-CD2 4.32Å
74S89.9Confident88Confident12 Ų1270.8 Ų70.88%0.08437%0.373CS..  trans-74.4128.3178.8176.90000111V72 K76 N77 Q80 H89V72-S74 PolarHBondContact O-N 3.13Å; S74-K76 PolarHBondContact O-N 3.38Å; S74-K76 PolarHBondContact OG-N 2.86Å; S74-N77 PolarHBondContact OG-N 2.94Å; S74-Q80 PolarHBondContact N-O 2.87Å; S74-H89 PolarHBondContact OG-CD2 3.31Å; S74-H89 VanDerWaalsContact OG-CD2 3.28Å; S74-H89 PolarHBondContact OG-NE2 3.05Å
75T88Confident88.4Confident145 Ų14567.9 Ų67.989%0.8936%0.36SS*.SBendtrans-66.2-22171.752.70000113.2P73P73-T75 PolarHBondContact O-N 3.39Å
76K86.3Confident88.8Confident167 Ų16764.7 Ų64.773%0.72633%0.334SS*.SBendtrans-91.6-37.2179.4-61.3-163.4176.2-163.20112.8S74S74-K76 PolarHBondContact O-N 3.38Å; S74-K76 PolarHBondContact OG-N 2.86Å
77N85.4Confident89.1Confident67 Ų6760.8 Ų60.836%0.35832%0.317SS..  trans-128.197.7-169.2-70-9.6000110.5S74 H79 Q80S74-N77 PolarHBondContact OG-N 2.94Å; N77-H79 PolarHBondContact O-N 2.98Å; N77-H79 VanDerWaalsContact O-N 3.09Å; N77-Q80 HydrophobicContact CB-CB 3.88Å; N77-Q80 HydrophobicContact CB-CG 4.09Å; N77-Q80 PolarHBondContact ND2-OE1 3.23Å; N77-Q80 PolarHBondContact O-N 2.86Å
78P84.9Confident89.4Confident89 Ų8964.7 Ų64.758%0.57833%0.331SS*.THydrogen-bonded Turntrans-63.9-21.8-171.324.1-34.4000114.3Q80 K92P78-Q80 VanDerWaalsContact C-N 3.31Å; P78-K92 VanDerWaalsContact O-CE 3.26Å; P78-K92 WeakPolarHBondContact O-CE 3.22Å; P78-K92 PolarHBondContact O-NZ 3.39Å
79H85.6Confident89.8Confident157 Ų15762.8 Ų62.873%0.72732%0.322SS*.THydrogen-bonded Turntrans-87.35.2175-52-62.5000113.9N77 K92N77-H79 PolarHBondContact O-N 2.98Å; N77-H79 VanDerWaalsContact O-N 3.09Å; H79-K92 WeakPolarHBondContact O-CB 3.28Å; H79-K92 PolarHBondContact O-N 2.9Å
80Q92.2Very high90.1Very high42 Ų4259.5 Ų59.520%0.19630%0.3CS..EExtended strand (participates in β ladder)trans-127.8155.7-176.5-63.2-171.2-31.900112.2S74 N77 P78 I90 N91S74-Q80 PolarHBondContact N-O 2.87Å; N77-Q80 HydrophobicContact CB-CB 3.88Å; N77-Q80 HydrophobicContact CB-CG 4.09Å; N77-Q80 PolarHBondContact ND2-OE1 3.23Å; N77-Q80 PolarHBondContact O-N 2.86Å; P78-Q80 VanDerWaalsContact C-N 3.31Å; Q80-I90 CarbonylContact C-O 3.13Å; Q80-I90 VanDerWaalsContact CA-O 3.22Å; Q80-I90 WeakPolarHBondContact CA-O 3.44Å; Q80-I90 VanDerWaalsContact CB-O 3.27Å; Q80-I90 WeakPolarHBondContact CB-O 3.33Å; Q80-N91 PolarHBondContact NE2-OD1 2.86Å
81L92.4Very high90.2Very high7 Ų761.3 Ų61.34%0.03731%0.311CS..EExtended strand (participates in β ladder)trans-101.2155.7166.1-53.6177.3000108.5F64 I71 V72 P73 H89 I90 K92 V97F64-L81 HydrophobicContact CD1-CD1 3.67Å; F64-L81 HydrophobicContact CE1-CD1 4.09Å; F64-L81 HydrophobicContact CG-CD1 4.37Å; I71-L81 HydrophobicContact CG2-CB 3.64Å; I71-L81 HydrophobicContact CG2-CD1 3.7Å; I71-L81 HydrophobicContact CG2-CG 4.25Å; V72-L81 CarbonylContact O-C 3.57Å; V72-L81 WeakPolarHBondContact O-CA 3.19Å; P73-L81 HydrophobicContact CG-CD2 4.32Å; L81-H89 CarbonylContact O-C 3.54Å; L81-H89 WeakPolarHBondContact O-CA 3.42Å; L81-I90 PolarHBondContact N-O 3.16Å; L81-I90 PolarHBondContact O-N 3.16Å; L81-K92 HydrophobicContact CD2-CD 4.28Å; L81-K92 HydrophobicContact CD2-CG 3.75Å; L81-K92 HydrophobicContact CG-CG 3.78Å; L81-V97 HydrophobicContact CD1-CG2 3.74Å
82F93.7Very high90Very high59 Ų5965.6 Ų65.626%0.25933%0.329SS..EExtended strand (participates in β ladder)trans-120.3122.2177.2-178.4-101.6000109.7V72 K84 L87 H89V72-F82 PolarHBondContact N-O 3.48Å; V72-F82 PolarHBondContact O-N 3.28Å; F82-K84 HydrophobicContact CD1-CG 4.46Å; F82-L87 HydrophobicContact CE1-CD2 4.06Å; F82-L87 HydrophobicContact CZ-CB 4.19Å; F82-L87 HydrophobicContact CZ-CD2 3.65Å; F82-H89 AromaticContact CD2-CD2 3.89Å; F82-H89 AromaticContact CD2-CE1 3.91Å; F82-H89 AromaticContact CD2-NE2 3.64Å
83C93.4Very high89.7Confident0 Ų066 Ų660%033%0.334CS..EExtended strand (participates in β ladder)trans-86.8108.7174172.80000109.7H70 I71 L85 T86 L87 R88 I90 H100H70-C83 WeakPolarHBondContact O-CA 3.37Å; I71-C83 HydrophobicContact CG1-CB 4.34Å; C83-L85 VanDerWaalsContact C-N 3.34Å; C83-L85 PolarHBondContact O-N 3.39Å; C83-T86 PolarHBondContact O-N 3.07Å; C83-T86 PolarHBondContact SG-N 3.3Å; C83-T86 PolarHBondContact SG-OG1 3.24Å; C83-L87 WeakPolarHBondContact O-CA 3.39Å; C83-L87 PolarHBondContact O-N 2.77Å; C83-R88 PolarHBondContact N-O 2.9Å; C83-R88 PolarHBondContact O-N 2.86Å; C83-I90 HydrophobicContact CB-CD1 3.97Å; C83-H100 PolarHBondContact SG-NE2 2.81Å
84K91.1Very high89.6Confident101 Ų10164 Ų6444%0.43932%0.32SS..THydrogen-bonded Turntrans-57.1-45.5179-64.4177.3-175.3160.40111.6P69 H70 F82 T86 L87P69-K84 WeakPolarHBondContact O-CD 3.15Å; P69-K84 WeakPolarHBondContact O-CE 3.36Å; P69-K84 PolarHBondContact O-NZ 3.15Å; H70-K84 PolarHBondContact O-N 2.9Å; F82-K84 HydrophobicContact CD1-CG 4.46Å; K84-T86 VanDerWaalsContact C-N 3.35Å; K84-T86 PolarHBondContact O-N 3Å; K84-L87 VanDerWaalsContact O-CD2 3.28Å; K84-L87 WeakPolarHBondContact O-CD2 3.42Å
85L91.2Very high89.5Confident4 Ų468.1 Ų68.12%0.02134%0.338CS..THydrogen-bonded Turntrans-63-36-176.3-62.3-179000113.6H70 C83 Y106 A109 L110 Y113 Y123H70-L85 HydrophobicContact CB-CD1 4.13Å; H70-L85 HydrophobicContact CB-CG 4.24Å; C83-L85 VanDerWaalsContact C-N 3.34Å; C83-L85 PolarHBondContact O-N 3.39Å; L85-Y106 HydrophobicContact CD1-CE2 3.95Å; L85-A109 HydrophobicContact CB-CB 3.94Å; L85-L110 HydrophobicContact CD1-CD2 3.54Å; L85-L110 HydrophobicContact CD1-CG 3.84Å; L85-Y113 HydrophobicContact CD2-CD1 4.3Å; L85-Y113 HydrophobicContact CD2-CD2 3.55Å; L85-Y113 HydrophobicContact CD2-CE2 4.22Å; L85-Y113 HydrophobicContact CD2-CG 3.62Å; L85-Y123 HydrophobicContact CD2-CD1 4.32Å; L85-Y123 HydrophobicContact CD2-CE1 4.17Å; L85-Y123 PolarHBondContact O-OH 2.89Å
86T90.8Very high89.6Confident4 Ų464.2 Ų64.23%0.02531%0.31CS..THydrogen-bonded Turntrans-106.9-5.2-175.372.80000114.3C83 K84 H100 R105 Y106 A109C83-T86 PolarHBondContact O-N 3.07Å; C83-T86 PolarHBondContact SG-N 3.3Å; C83-T86 PolarHBondContact SG-OG1 3.24Å; K84-T86 VanDerWaalsContact C-N 3.35Å; K84-T86 PolarHBondContact O-N 3Å; T86-H100 PolarHBondContact OG1-CE1 3.07Å; T86-H100 VanDerWaalsContact OG1-CE1 3.24Å; T86-H100 PolarHBondContact OG1-NE2 3.13Å; T86-R105 HydrophobicContact CG2-CG 4.13Å; T86-R105 PolarHBondContact O-NH2 2.93Å; T86-Y106 HydrophobicContact CG2-CD2 4.24Å; T86-A109 HydrophobicContact CG2-CB 3.97Å
87L89.8Confident89.8Confident62 Ų6256.3 Ų56.333%0.32528%0.275SS..THydrogen-bonded Turntrans47.356.2-169.9-54.5179.2000112.4F82 C83 K84 P125 L128F82-L87 HydrophobicContact CE1-CD2 4.06Å; F82-L87 HydrophobicContact CZ-CB 4.19Å; F82-L87 HydrophobicContact CZ-CD2 3.65Å; C83-L87 WeakPolarHBondContact O-CA 3.39Å; C83-L87 PolarHBondContact O-N 2.77Å; K84-L87 VanDerWaalsContact O-CD2 3.28Å; K84-L87 WeakPolarHBondContact O-CD2 3.42Å; L87-P125 HydrophobicContact CD1-CB 3.82Å; L87-P125 HydrophobicContact CD1-CG 3.89Å; L87-P125 HydrophobicContact CD2-CG 4.19Å; L87-P125 HydrophobicContact CG-CB 3.83Å; L87-P125 HydrophobicContact CG-CG 3.84Å; L87-L128 HydrophobicContact CD1-CD1 3.95Å; L87-L128 HydrophobicContact CD1-CD2 3.79Å; L87-L128 HydrophobicContact CD1-CG 3.72Å
88R91.3Very high90Very high111 Ų11156.1 Ų56.142%0.41927%0.274SS..EExtended strand (participates in β ladder)trans-132.9142.5179.2-65.1-174.276.6-108.95.2112.6C83C83-R88 PolarHBondContact N-O 2.9Å; C83-R88 PolarHBondContact O-N 2.86Å
89H92.9Very high90.4Very high68 Ų6859 Ų5932%0.31527%0.273SS..EExtended strand (participates in β ladder)trans-78146.5163.8-69104000111.7S74 L81 F82S74-H89 PolarHBondContact OG-CD2 3.31Å; S74-H89 VanDerWaalsContact OG-CD2 3.28Å; S74-H89 PolarHBondContact OG-NE2 3.05Å; L81-H89 CarbonylContact O-C 3.54Å; L81-H89 WeakPolarHBondContact O-CA 3.42Å; F82-H89 AromaticContact CD2-CD2 3.89Å; F82-H89 AromaticContact CD2-CE1 3.91Å; F82-H89 AromaticContact CD2-NE2 3.64Å
90I92.3Very high90.9Very high11 Ų1152.4 Ų52.46%0.05624%0.243CC..EExtended strand (participates in β ladder)trans-139.5137.8-179-49.8168000106.3I71 Q80 L81 C83 H96 V97 H100I71-I90 HydrophobicContact CD1-CD1 4.29Å; Q80-I90 CarbonylContact C-O 3.13Å; Q80-I90 VanDerWaalsContact CA-O 3.22Å; Q80-I90 WeakPolarHBondContact CA-O 3.44Å; Q80-I90 VanDerWaalsContact CB-O 3.27Å; Q80-I90 WeakPolarHBondContact CB-O 3.33Å; L81-I90 PolarHBondContact N-O 3.16Å; L81-I90 PolarHBondContact O-N 3.16Å; C83-I90 HydrophobicContact CB-CD1 3.97Å; I90-H96 HydrophobicContact CG2-CB 3.95Å; I90-V97 HydrophobicContact CG2-CG2 4.45Å; I90-H100 HydrophobicContact CD1-CB 3.89Å; I90-H100 WeakPolarHBondContact CD1-CD2 3.19Å
91N91.1Very high90.9Very high71 Ų7151.4 Ų51.438%0.3824%0.24SC..EExtended strand (participates in β ladder)trans-67.2149175.8-61.7-7.5000110.8Q80 C93Q80-N91 PolarHBondContact NE2-OD1 2.86Å; N91-C93 PolarHBondContact O-N 3.22Å
92K87.4Confident90.9Very high93 Ų9357.6 Ų57.640%0.40427%0.269SS..SBendtrans-68.470.1171.6-75.5178.4174.5178.80111.2P78 H79 L81P78-K92 VanDerWaalsContact O-CE 3.26Å; P78-K92 WeakPolarHBondContact O-CE 3.22Å; P78-K92 PolarHBondContact O-NZ 3.39Å; H79-K92 WeakPolarHBondContact O-CB 3.28Å; H79-K92 PolarHBondContact O-N 2.9Å; L81-K92 HydrophobicContact CD2-CD 4.28Å; L81-K92 HydrophobicContact CD2-CG 3.75Å; L81-K92 HydrophobicContact CG-CG 3.78Å
93C84.6Confident90.9Very high49 Ų4955.9 Ų55.933%0.33127%0.267SS..  trans-141.6129.6178.9-49.10000108.8N91 E95 H96 V97N91-C93 PolarHBondContact O-N 3.22Å; C93-E95 VanDerWaalsContact C-N 3.35Å; C93-E95 PolarHBondContact O-N 3.21Å; C93-H96 HydrophobicContact CB-CB 4.31Å; C93-H96 PolarHBondContact O-N 3.4Å; C93-V97 PolarHBondContact O-N 3.12Å
94P87.4Confident90.9Very high24 Ų2465.2 Ų65.216%0.15630%0.302CS..Hα-helixtrans-58.9-43.2-174.422.2-33.6000112.7P60 F62 H96 V97 L98P60-P94 HydrophobicContact CG-CG 4.24Å; F62-P94 HydrophobicContact CB-CB 3.97Å; F62-P94 HydrophobicContact CB-CG 4.43Å; F62-P94 HydrophobicContact CD1-CB 3.86Å; F62-P94 HydrophobicContact CD2-CB 3.68Å; F62-P94 HydrophobicContact CE1-CB 4.2Å; F62-P94 HydrophobicContact CE2-CB 4.05Å; F62-P94 HydrophobicContact CG-CB 3.56Å; F62-P94 HydrophobicContact CZ-CB 4.29Å; P94-H96 PolarHBondContact O-N 3.3Å; P94-H96 VanDerWaalsContact O-N 3.08Å; P94-V97 PolarHBondContact O-N 3.14Å; P94-V97 VanDerWaalsContact O-N 3.14Å; P94-L98 WeakPolarHBondContact O-CG 3.38Å; P94-L98 PolarHBondContact O-N 3.32Å
95E87.2Confident90.9Very high99 Ų9966.7 Ų66.746%0.46331%0.305SS..Hα-helixtrans-56.8-26.8175.8-63.2-170.2-174.200113.9C93 R99C93-E95 VanDerWaalsContact C-N 3.35Å; C93-E95 PolarHBondContact O-N 3.21Å; E95-R99 WeakPolarHBondContact O-CB 3.41Å; E95-R99 PolarHBondContact O-N 2.84Å; E95-R99 IonicContact OE2-NH2 2.66Å
96H90.8Very high91Very high64 Ų6467.2 Ų67.230%0.29631%0.307SS..Hα-helixtrans-89.6-30.5-179.6-71.2178.3000112.5I90 C93 P94 R99 H100I90-H96 HydrophobicContact CG2-CB 3.95Å; C93-H96 HydrophobicContact CB-CB 4.31Å; C93-H96 PolarHBondContact O-N 3.4Å; P94-H96 PolarHBondContact O-N 3.3Å; P94-H96 VanDerWaalsContact O-N 3.08Å; H96-R99 PolarHBondContact CD2-NH1 3.17Å; H96-R99 PolarHBondContact NE2-NH1 2.77Å; H96-H100 WeakPolarHBondContact O-CB 3.43Å; H96-H100 PolarHBondContact O-N 2.97Å; H96-H100 VanDerWaalsContact O-N 3.17Å
97V90.6Very high91.2Very high0 Ų071.3 Ų71.30%033%0.326CS..Hα-helixtrans-68.5-53.5171.6176.70000109.9F62 F64 F67 I71 L81 I90 C93 P94 R99 H100 T101F62-V97 HydrophobicContact CE1-CG1 4.46Å; F64-V97 HydrophobicContact CD1-CG2 4.05Å; F64-V97 HydrophobicContact CE1-CG2 3.85Å; F67-V97 HydrophobicContact CD1-CG1 4.2Å; F67-V97 HydrophobicContact CD2-CG1 3.89Å; F67-V97 HydrophobicContact CE1-CG1 4.45Å; F67-V97 HydrophobicContact CE2-CG1 4.18Å; F67-V97 HydrophobicContact CG-CG1 3.91Å; F67-V97 HydrophobicContact CZ-CG1 4.45Å; I71-V97 HydrophobicContact CD1-CG1 4.05Å; L81-V97 HydrophobicContact CD1-CG2 3.74Å; I90-V97 HydrophobicContact CG2-CG2 4.45Å; C93-V97 PolarHBondContact O-N 3.12Å; P94-V97 PolarHBondContact O-N 3.14Å; P94-V97 VanDerWaalsContact O-N 3.14Å; V97-R99 VanDerWaalsContact C-N 3.35Å; V97-R99 PolarHBondContact O-N 2.92Å; V97-H100 WeakPolarHBondContact O-CA 3.38Å; V97-H100 WeakPolarHBondContact O-CB 3.42Å; V97-H100 PolarHBondContact O-N 3.17Å; V97-T101 HydrophobicContact CG1-CG2 4.42Å; V97-T101 PolarHBondContact O-N 3.01Å; V97-T101 PolarHBondContact O-OG1 3.31Å
98L90.3Very high91.4Very high63 Ų6377 Ų7733%0.3334%0.343SS..Hα-helixtrans-58.2-44179.2-65.6171.1000112.3F62 F67 P94 H100 T101 Q102F62-L98 HydrophobicContact CE2-CD1 4.19Å; F62-L98 HydrophobicContact CE2-CD2 4.36Å; F62-L98 HydrophobicContact CE2-CG 4.35Å; F62-L98 HydrophobicContact CZ-CD1 4.41Å; F62-L98 HydrophobicContact CZ-CD2 4.04Å; F62-L98 HydrophobicContact CZ-CG 4.08Å; F67-L98 HydrophobicContact CZ-CD2 4.15Å; P94-L98 WeakPolarHBondContact O-CG 3.38Å; P94-L98 PolarHBondContact O-N 3.32Å; L98-H100 PolarHBondContact O-N 3.1Å; L98-T101 PolarHBondContact O-N 2.97Å; L98-T101 PolarHBondContact O-OG1 3.22Å; L98-Q102 VanDerWaalsContact O-CB 3.28Å; L98-Q102 WeakPolarHBondContact O-CB 3.38Å; L98-Q102 VanDerWaalsContact O-CG 3.28Å; L98-Q102 WeakPolarHBondContact O-CG 3.42Å; L98-Q102 PolarHBondContact O-N 3.29Å
99R93.1Very high91.5Very high149 Ų14972 Ų7256%0.56233%0.326SS*.Hα-helixtrans-66.5-23175.7-166.8-172.3-51.2151.79.3113.1E95 H96 V97E95-R99 WeakPolarHBondContact O-CB 3.41Å; E95-R99 PolarHBondContact O-N 2.84Å; E95-R99 IonicContact OE2-NH2 2.66Å; H96-R99 PolarHBondContact CD2-NH1 3.17Å; H96-R99 PolarHBondContact NE2-NH1 2.77Å; V97-R99 VanDerWaalsContact C-N 3.35Å; V97-R99 PolarHBondContact O-N 2.92Å
100H94.8Very high91.5Very high19 Ų1970.7 Ų70.79%0.08832%0.321CS..Hα-helixtrans-79.6-48.4172.5-175.365.8000111.6C83 T86 I90 H96 V97 L98 G103 Y106C83-H100 PolarHBondContact SG-NE2 2.81Å; T86-H100 PolarHBondContact OG1-CE1 3.07Å; T86-H100 VanDerWaalsContact OG1-CE1 3.24Å; T86-H100 PolarHBondContact OG1-NE2 3.13Å; I90-H100 HydrophobicContact CD1-CB 3.89Å; I90-H100 WeakPolarHBondContact CD1-CD2 3.19Å; H96-H100 WeakPolarHBondContact O-CB 3.43Å; H96-H100 PolarHBondContact O-N 2.97Å; H96-H100 VanDerWaalsContact O-N 3.17Å; V97-H100 WeakPolarHBondContact O-CA 3.38Å; V97-H100 WeakPolarHBondContact O-CB 3.42Å; V97-H100 PolarHBondContact O-N 3.17Å; L98-H100 PolarHBondContact O-N 3.1Å; H100-G103 WeakPolarHBondContact O-CA 3.13Å; H100-G103 PolarHBondContact O-N 3.48Å; H100-Y106 AromaticContact CD2-CD2 3.66Å; H100-Y106 AromaticContact NE2-CD2 3.46Å; H100-Y106 WeakPolarHBondContact NE2-CD2 3.31Å; H100-Y106 WeakPolarHBondContact O-CB 3.28Å
101T92.2Very high91.5Very high22 Ų2273.1 Ų73.114%0.13534%0.338CS..Hα-helixtrans-69.1-40.9-175.254.40000112.4F67 I71 V97 L98 G103 Y106F67-T101 HydrophobicContact CD1-CG2 3.74Å; F67-T101 HydrophobicContact CE1-CG2 4.05Å; I71-T101 HydrophobicContact CD1-CG2 3.58Å; V97-T101 HydrophobicContact CG1-CG2 4.42Å; V97-T101 PolarHBondContact O-N 3.01Å; V97-T101 PolarHBondContact O-OG1 3.31Å; L98-T101 PolarHBondContact O-N 2.97Å; L98-T101 PolarHBondContact O-OG1 3.22Å; T101-G103 PolarHBondContact O-N 3.18Å; T101-Y106 VanDerWaalsContact CA-CD1 3.47Å; T101-Y106 HydrophobicContact CG2-CD1 4.23Å; T101-Y106 HydrophobicContact CG2-CE1 3.86Å; T101-Y106 WeakPolarHBondContact O-CD1 3.28Å
102Q92.6Very high91.5Very high137 Ų13775 Ų7564%0.6434%0.343SS*.THydrogen-bonded Turntrans-72-4.4170.8-60.7170.6-2.400112.7L98L98-Q102 VanDerWaalsContact O-CB 3.28Å; L98-Q102 WeakPolarHBondContact O-CB 3.38Å; L98-Q102 VanDerWaalsContact O-CG 3.28Å; L98-Q102 WeakPolarHBondContact O-CG 3.42Å; L98-Q102 PolarHBondContact O-N 3.29Å
103G94Very high91.7Very high22 Ų2273.9 Ų73.923%0.22734%0.337CS..SBendtrans-81134.3-178.300000112.8H100 T101 R105 Y106 Q107H100-G103 WeakPolarHBondContact O-CA 3.13Å; H100-G103 PolarHBondContact O-N 3.48Å; T101-G103 PolarHBondContact O-N 3.18Å; G103-R105 PolarHBondContact O-N 3.24Å; G103-Y106 PolarHBondContact O-N 3.33Å; G103-Q107 PolarHBondContact O-N 2.94Å; G103-Q107 VanDerWaalsContact O-N 3.16Å
104R93.6Very high92.1Very high196 Ų19675.5 Ų75.574%0.7434%0.339SS*.Hα-helixtrans-49.3-28.4179.9-64.3-174.2179.6-153.1-1.8115.1R108R104-R108 VanDerWaalsContact O-CB 3.28Å; R104-R108 WeakPolarHBondContact O-CB 3.43Å; R104-R108 WeakPolarHBondContact O-CD 3.44Å; R104-R108 WeakPolarHBondContact O-CG 3.39Å; R104-R108 PolarHBondContact O-N 3.33Å; R104-R108 VanDerWaalsContact O-N 3.12Å
105R91.6Very high92.4Very high133 Ų13378.7 Ų78.750%0.50235%0.352SS..Hα-helixtrans-73.3-33.2176.3177171.6168.6161.5-5112.9T86 G103 A109T86-R105 HydrophobicContact CG2-CG 4.13Å; T86-R105 PolarHBondContact O-NH2 2.93Å; G103-R105 PolarHBondContact O-N 3.24Å; R105-A109 WeakPolarHBondContact O-CB 3.37Å; R105-A109 PolarHBondContact O-N 2.96Å
106Y93.8Very high92.6Very high14 Ų1475 Ų756%0.05534%0.337CS..Hα-helixtrans-77.5-46.6175.8-176.4-98.6000110.6H70 I71 L85 T86 H100 T101 G103 R108 A109 L110H70-Y106 HydrophobicContact CB-CE2 4.44Å; H70-Y106 WeakPolarHBondContact CB-OH 3.44Å; I71-Y106 HydrophobicContact CD1-CE2 4.35Å; I71-Y106 HydrophobicContact CG1-CE2 4.35Å; L85-Y106 HydrophobicContact CD1-CE2 3.95Å; T86-Y106 HydrophobicContact CG2-CD2 4.24Å; H100-Y106 AromaticContact CD2-CD2 3.66Å; H100-Y106 AromaticContact NE2-CD2 3.46Å; H100-Y106 WeakPolarHBondContact NE2-CD2 3.31Å; H100-Y106 WeakPolarHBondContact O-CB 3.28Å; T101-Y106 VanDerWaalsContact CA-CD1 3.47Å; T101-Y106 HydrophobicContact CG2-CD1 4.23Å; T101-Y106 HydrophobicContact CG2-CE1 3.86Å; T101-Y106 WeakPolarHBondContact O-CD1 3.28Å; G103-Y106 PolarHBondContact O-N 3.33Å; Y106-R108 PolarHBondContact O-N 3.31Å; Y106-A109 CarbonylContact O-C 3.56Å; Y106-A109 WeakPolarHBondContact O-CA 3.41Å; Y106-A109 WeakPolarHBondContact O-CB 3.28Å; Y106-A109 PolarHBondContact O-N 2.86Å; Y106-L110 HydrophobicContact CD1-CD1 3.76Å; Y106-L110 HydrophobicContact CD1-CG 4.17Å; Y106-L110 HydrophobicContact CE1-CD1 3.36Å; Y106-L110 HydrophobicContact CE1-CD2 4.46Å; Y106-L110 HydrophobicContact CE1-CG 3.83Å; Y106-L110 PolarHBondContact O-N 3.01Å
107Q93.6Very high92.6Very high91 Ų9177.7 Ų77.743%0.42535%0.35SS..Hα-helixtrans-55.2-48.7175.5-67167.6-28.400112G103 A109 L110 C111G103-Q107 PolarHBondContact O-N 2.94Å; G103-Q107 VanDerWaalsContact O-N 3.16Å; Q107-A109 PolarHBondContact O-N 3.41Å; Q107-L110 PolarHBondContact O-N 3.06Å; Q107-C111 PolarHBondContact O-N 3.08Å; Q107-C111 PolarHBondContact O-SG 3.22Å
108R93.6Very high92.7Very high181 Ų18186 Ų8668%0.68339%0.386SS*.Hα-helixtrans-64.8-18.7174-73.5173.9173.3-169.1-4.8114.5R104 Y106 K112R104-R108 VanDerWaalsContact O-CB 3.28Å; R104-R108 WeakPolarHBondContact O-CB 3.43Å; R104-R108 WeakPolarHBondContact O-CD 3.44Å; R104-R108 WeakPolarHBondContact O-CG 3.39Å; R104-R108 PolarHBondContact O-N 3.33Å; R104-R108 VanDerWaalsContact O-N 3.12Å; Y106-R108 PolarHBondContact O-N 3.31Å; R108-K112 WeakPolarHBondContact O-CG 3.37Å
109A93.2Very high92.7Very high6 Ų689.7 Ų89.75%0.0540%0.401CS..Hα-helixtrans-85.9-37.8174.800000111.2L85 T86 R105 Y106 Q107 Y113 Y123L85-A109 HydrophobicContact CB-CB 3.94Å; T86-A109 HydrophobicContact CG2-CB 3.97Å; R105-A109 WeakPolarHBondContact O-CB 3.37Å; R105-A109 PolarHBondContact O-N 2.96Å; Y106-A109 CarbonylContact O-C 3.56Å; Y106-A109 WeakPolarHBondContact O-CA 3.41Å; Y106-A109 WeakPolarHBondContact O-CB 3.28Å; Y106-A109 PolarHBondContact O-N 2.86Å; Q107-A109 PolarHBondContact O-N 3.41Å; A109-Y113 VanDerWaalsContact O-CB 3.31Å; A109-Y113 WeakPolarHBondContact O-CB 3.26Å; A109-Y113 PolarHBondContact O-N 3.35Å; A109-Y123 WeakPolarHBondContact CA-OH 3.14Å; A109-Y123 WeakPolarHBondContact CB-OH 3.4Å
110L93.3Very high92.5Very high40 Ų4086.1 Ų86.121%0.20941%0.411CS..Hα-helixtrans-59.9-56.1171.3-84.1174.7000112.1L85 Y106 Q107 K112 Y113 E114L85-L110 HydrophobicContact CD1-CD2 3.54Å; L85-L110 HydrophobicContact CD1-CG 3.84Å; Y106-L110 HydrophobicContact CD1-CD1 3.76Å; Y106-L110 HydrophobicContact CD1-CG 4.17Å; Y106-L110 HydrophobicContact CE1-CD1 3.36Å; Y106-L110 HydrophobicContact CE1-CD2 4.46Å; Y106-L110 HydrophobicContact CE1-CG 3.83Å; Y106-L110 PolarHBondContact O-N 3.01Å; Q107-L110 PolarHBondContact O-N 3.06Å; L110-K112 PolarHBondContact O-N 2.95Å; L110-K112 VanDerWaalsContact O-N 3.16Å; L110-Y113 CarbonylContact O-C 3.52Å; L110-Y113 WeakPolarHBondContact O-CA 3.43Å; L110-Y113 WeakPolarHBondContact O-CB 3.49Å; L110-Y113 PolarHBondContact O-N 3.37Å; L110-E114 WeakPolarHBondContact O-CG 3.42Å; L110-E114 PolarHBondContact O-N 3.35Å
111C92.4Very high92.1Very high63 Ų6388.9 Ų88.943%0.42643%0.429SS..Hα-helixtrans-55.6-41.7-178.2-55.70000111.7Q107 E114 E115Q107-C111 PolarHBondContact O-N 3.08Å; Q107-C111 PolarHBondContact O-SG 3.22Å; C111-E114 PolarHBondContact O-N 3.31Å; C111-E115 WeakPolarHBondContact O-CB 3.43Å; C111-E115 WeakPolarHBondContact O-CG 3.38Å; C111-E115 PolarHBondContact O-N 3.26Å
112K91.6Very high91.7Very high111 Ų11196.1 Ų96.148%0.48346%0.462SS..Hα-helixtrans-69.1-30.7175.1-73.6-174.7162.7-67.90114R108 L110 C116 Y123R108-K112 WeakPolarHBondContact O-CG 3.37Å; L110-K112 PolarHBondContact O-N 2.95Å; L110-K112 VanDerWaalsContact O-N 3.16Å; K112-C116 WeakPolarHBondContact O-CB 3.47Å; K112-C116 PolarHBondContact O-N 3.24Å; K112-C116 PolarHBondContact O-SG 3.25Å; K112-Y123 HydrophobicContact CB-CD2 4.39Å; K112-Y123 HydrophobicContact CB-CE2 3.69Å
113Y92.4Very high91.5Very high68 Ų6891.1 Ų91.127%0.26744%0.437SS..Hα-helixtrans-70.1-40.8173.9179.4-97.2000111H70 L85 A109 L110 C116 Q117 Y123H70-Y113 AromaticContact CE1-CD1 3.85Å; H70-Y113 AromaticContact CE1-CE1 3.61Å; L85-Y113 HydrophobicContact CD2-CD1 4.3Å; L85-Y113 HydrophobicContact CD2-CD2 3.55Å; L85-Y113 HydrophobicContact CD2-CE2 4.22Å; L85-Y113 HydrophobicContact CD2-CG 3.62Å; A109-Y113 VanDerWaalsContact O-CB 3.31Å; A109-Y113 WeakPolarHBondContact O-CB 3.26Å; A109-Y113 PolarHBondContact O-N 3.35Å; L110-Y113 CarbonylContact O-C 3.52Å; L110-Y113 WeakPolarHBondContact O-CA 3.43Å; L110-Y113 WeakPolarHBondContact O-CB 3.49Å; L110-Y113 PolarHBondContact O-N 3.37Å; Y113-C116 PolarHBondContact O-N 2.92Å; Y113-Q117 HydrophobicContact CD1-CG 4.45Å; Y113-Q117 HydrophobicContact CE1-CG 4.05Å; Y113-Q117 WeakPolarHBondContact O-CG 3.38Å; Y113-Q117 PolarHBondContact O-N 3.17Å; Y113-Q117 PolarHBondContact OH-NE2 2.94Å; Y113-Q117 VanDerWaalsContact OH-NE2 3.1Å; Y113-Y123 AromaticContact CD2-CD1 3.94Å; Y113-Y123 HydrophobicContact CD2-CD1 3.94Å; Y113-Y123 HydrophobicContact CD2-CD2 4.3Å; Y113-Y123 AromaticContact CD2-CG 3.67Å; Y113-Y123 HydrophobicContact CD2-CG 3.67Å; Y113-Y123 HydrophobicContact CG-CG 4.43Å
114E93.1Very high91Very high83 Ų8393.3 Ų93.339%0.38845%0.446SS..Hα-helixtrans-66-40.1172.8-63.9160.7-140.500112.2L110 C111 K118L110-E114 WeakPolarHBondContact O-CG 3.42Å; L110-E114 PolarHBondContact O-N 3.35Å; C111-E114 PolarHBondContact O-N 3.31Å; E114-K118 WeakPolarHBondContact O-CB 3.29Å; E114-K118 WeakPolarHBondContact O-CD 3.21Å; E114-K118 VanDerWaalsContact O-CG 3.26Å; E114-K118 WeakPolarHBondContact O-CG 3.39Å; E114-K118 PolarHBondContact O-N 3.31Å
115E93.2Very high90.6Very high91 Ų9184.6 Ų84.643%0.42541%0.414SS..Hα-helixtrans-57.8-50.9170.6-73.9156.7-153.700110.8C111 K118 Q119C111-E115 WeakPolarHBondContact O-CB 3.43Å; C111-E115 WeakPolarHBondContact O-CG 3.38Å; C111-E115 PolarHBondContact O-N 3.26Å; E115-K118 PolarHBondContact O-N 3.02Å; E115-Q119 WeakPolarHBondContact O-CG 3.42Å; E115-Q119 PolarHBondContact O-N 3.04Å; E115-Q119 VanDerWaalsContact O-N 3.09Å
116C91.4Very high90.1Very high23 Ų2380.8 Ų80.816%0.15541%0.412CS..Hα-helixtrans-62.8-42.1178.3-730000112.7K112 Y113 K118 Q119 G120 V121 Y123K112-C116 WeakPolarHBondContact O-CB 3.47Å; K112-C116 PolarHBondContact O-N 3.24Å; K112-C116 PolarHBondContact O-SG 3.25Å; Y113-C116 PolarHBondContact O-N 2.92Å; C116-K118 PolarHBondContact O-N 3.38Å; C116-Q119 CarbonylContact O-C 3.42Å; C116-Q119 PolarHBondContact O-N 3.38Å; C116-G120 PolarHBondContact O-N 2.94Å; C116-V121 HydrophobicContact CB-CG2 3.89Å; C116-V121 PolarHBondContact O-N 2.89Å; C116-Y123 HydrophobicContact CB-CD2 4.42Å
117Q90.2Very high89.4Confident120 Ų12082.2 Ų82.256%0.56142%0.423SS*.Hα-helixtrans-59.6-46174.6-81.4-164.9-14.300112Y113 Q119 G120Y113-Q117 HydrophobicContact CD1-CG 4.45Å; Y113-Q117 HydrophobicContact CE1-CG 4.05Å; Y113-Q117 WeakPolarHBondContact O-CG 3.38Å; Y113-Q117 PolarHBondContact O-N 3.17Å; Y113-Q117 PolarHBondContact OH-NE2 2.94Å; Y113-Q117 VanDerWaalsContact OH-NE2 3.1Å; Q117-Q119 PolarHBondContact O-N 2.76Å; Q117-G120 PolarHBondContact O-N 3.49Å; Q117-G120 VanDerWaalsContact O-N 3.12Å
118K92.8Very high88.7Confident175 Ų17581.6 Ų81.676%0.76142%0.423SS*.Hα-helixtrans-63.6-27.3177.5-71.9164.8-174.8166.70113E114 E115 C116E114-K118 WeakPolarHBondContact O-CB 3.29Å; E114-K118 WeakPolarHBondContact O-CD 3.21Å; E114-K118 VanDerWaalsContact O-CG 3.26Å; E114-K118 WeakPolarHBondContact O-CG 3.39Å; E114-K118 PolarHBondContact O-N 3.31Å; E115-K118 PolarHBondContact O-N 3.02Å; C116-K118 PolarHBondContact O-N 3.38Å
119Q90.3Very high88Confident139 Ų13975.5 Ų75.565%0.6541%0.405SS*.Hα-helixtrans-90.2-6.9176.9-70.4172.3-3.300113.5E115 C116 Q117 V121E115-Q119 WeakPolarHBondContact O-CG 3.42Å; E115-Q119 PolarHBondContact O-N 3.04Å; E115-Q119 VanDerWaalsContact O-N 3.09Å; C116-Q119 CarbonylContact O-C 3.42Å; C116-Q119 PolarHBondContact O-N 3.38Å; Q117-Q119 PolarHBondContact O-N 2.76Å; Q119-V121 HydrophobicContact CB-CG1 4.37Å; Q119-V121 HydrophobicContact CB-CG2 3.99Å; Q119-V121 PolarHBondContact O-N 2.98Å
120G88.3Confident87.2Confident74 Ų7481.6 Ų81.676%0.76343%0.432SS*.THydrogen-bonded Turntrans69.215.1-175.800000115.1C116 Q117C116-G120 PolarHBondContact O-N 2.94Å; Q117-G120 PolarHBondContact O-N 3.49Å; Q117-G120 VanDerWaalsContact O-N 3.12Å
121V86.9Confident86.3Confident77 Ų7789.6 Ų89.647%0.46746%0.46SS..  trans-102.2152.2-175.8-600000112.3C116 Q119 Y123C116-V121 HydrophobicContact CB-CG2 3.89Å; C116-V121 PolarHBondContact O-N 2.89Å; Q119-V121 HydrophobicContact CB-CG1 4.37Å; Q119-V121 HydrophobicContact CB-CG2 3.99Å; Q119-V121 PolarHBondContact O-N 2.98Å; V121-Y123 PolarHBondContact O-N 2.85Å
122E84.8Confident85.3Confident175 Ų17594.8 Ų94.882%0.81847%0.47SS*.  trans-66.5128.3177.2-165.7-170.5168.500111.3V124E122-V124 PolarHBondContact O-N 2.87Å
123Y86.5Confident84.3Confident31 Ų3196.9 Ų96.912%0.12248%0.475CS..  trans-72.4109.8174.7175.1-100000111.5L85 A109 K112 Y113 C116 V121 P125L85-Y123 HydrophobicContact CD2-CD1 4.32Å; L85-Y123 HydrophobicContact CD2-CE1 4.17Å; L85-Y123 PolarHBondContact O-OH 2.89Å; A109-Y123 WeakPolarHBondContact CA-OH 3.14Å; A109-Y123 WeakPolarHBondContact CB-OH 3.4Å; K112-Y123 HydrophobicContact CB-CD2 4.39Å; K112-Y123 HydrophobicContact CB-CE2 3.69Å; Y113-Y123 AromaticContact CD2-CD1 3.94Å; Y113-Y123 HydrophobicContact CD2-CD1 3.94Å; Y113-Y123 HydrophobicContact CD2-CD2 4.3Å; Y113-Y123 AromaticContact CD2-CG 3.67Å; Y113-Y123 HydrophobicContact CD2-CG 3.67Å; Y113-Y123 HydrophobicContact CG-CG 4.43Å; C116-Y123 HydrophobicContact CB-CD2 4.42Å; V121-Y123 PolarHBondContact O-N 2.85Å; Y123-P125 HydrophobicContact CD1-CG 4.21Å; Y123-P125 HydrophobicContact CE1-CB 4.21Å; Y123-P125 HydrophobicContact CE1-CG 3.84Å; Y123-P125 WeakPolarHBondContact O-CD 3.42Å
124V83.5Confident83.4Confident68 Ų6899.6 Ų99.641%0.41249%0.489SS..  trans-92.4113.7173.6-175.40000110.6E122 A126 L128 V129E122-V124 PolarHBondContact O-N 2.87Å; V124-A126 PolarHBondContact O-N 3.22Å; V124-L128 HydrophobicContact CG1-CB 4.11Å; V124-V129 HydrophobicContact CB-CG2 4.37Å; V124-V129 HydrophobicContact CG1-CG2 3.76Å
125P85.6Confident82.3Confident13 Ų13104 Ų1048%0.08450%0.502CS..  trans-58.2134.2177.5-26.335.4000112.4L87 Y123 C127 L128L87-P125 HydrophobicContact CD1-CB 3.82Å; L87-P125 HydrophobicContact CD1-CG 3.89Å; L87-P125 HydrophobicContact CD2-CG 4.19Å; L87-P125 HydrophobicContact CG-CB 3.83Å; L87-P125 HydrophobicContact CG-CG 3.84Å; Y123-P125 HydrophobicContact CD1-CG 4.21Å; Y123-P125 HydrophobicContact CE1-CB 4.21Å; Y123-P125 HydrophobicContact CE1-CG 3.84Å; Y123-P125 WeakPolarHBondContact O-CD 3.42Å; P125-C127 PolarHBondContact O-N 2.89Å; P125-L128 WeakPolarHBondContact O-CB 3.49Å; P125-L128 PolarHBondContact O-N 2.66Å
126A81.4Confident81.3Confident54 Ų54104 Ų10445%0.44650%0.502SS..Hα-helixtrans-53.9-29.6-171.300000114.9V124 L128 V129 H130V124-A126 PolarHBondContact O-N 3.22Å; A126-L128 VanDerWaalsContact C-N 3.29Å; A126-L128 PolarHBondContact O-N 2.75Å; A126-V129 PolarHBondContact O-N 3.07Å; A126-H130 PolarHBondContact O-N 2.92Å; A126-H130 VanDerWaalsContact O-N 3.14Å; A126-H130 PolarHBondContact O-ND1 3.15Å
127C78.3Confident80.3Confident44 Ų44108.4 Ų108.430%0.29752%0.524SS..Hα-helixtrans-70.5-18.4177.754.10000114.6P125P125-C127 PolarHBondContact O-N 2.89Å
128L79.5Confident79.2Confident78 Ų78108.8 Ų108.841%0.40853%0.525SS..Hα-helixtrans-79.2-43.5168.3-57.8-174.5000110.8L87 V124 P125 A126 H130 R131 R132L87-L128 HydrophobicContact CD1-CD1 3.95Å; L87-L128 HydrophobicContact CD1-CD2 3.79Å; L87-L128 HydrophobicContact CD1-CG 3.72Å; V124-L128 HydrophobicContact CG1-CB 4.11Å; P125-L128 WeakPolarHBondContact O-CB 3.49Å; P125-L128 PolarHBondContact O-N 2.66Å; A126-L128 VanDerWaalsContact C-N 3.29Å; A126-L128 PolarHBondContact O-N 2.75Å; L128-H130 VanDerWaalsContact C-N 3.35Å; L128-H130 PolarHBondContact O-N 3.07Å; L128-R131 WeakPolarHBondContact O-CA 3.32Å; L128-R131 WeakPolarHBondContact O-CB 3.37Å; L128-R131 PolarHBondContact O-N 3.29Å; L128-R132 PolarHBondContact O-N 3.5Å
129V79.6Confident77.8Confident52 Ų52107.5 Ų107.532%0.31552%0.524SS..Hα-helixtrans-57.3-45.5178.7-174.40000111.7V124 A126 R131 R132 R133V124-V129 HydrophobicContact CB-CG2 4.37Å; V124-V129 HydrophobicContact CG1-CG2 3.76Å; A126-V129 PolarHBondContact O-N 3.07Å; V129-R131 PolarHBondContact O-N 3.28Å; V129-R132 PolarHBondContact O-N 3.11Å; V129-R133 PolarHBondContact O-N 3.35Å
130H75.3Confident76.5Confident135 Ų135107.5 Ų107.563%0.62553%0.528SS*.Hα-helixtrans-69.1-21.9178.1-67.667.3000113A126 L128 K134A126-H130 PolarHBondContact O-N 2.92Å; A126-H130 VanDerWaalsContact O-N 3.14Å; A126-H130 PolarHBondContact O-ND1 3.15Å; L128-H130 VanDerWaalsContact C-N 3.35Å; L128-H130 PolarHBondContact O-N 3.07Å; H130-K134 PolarHBondContact O-N 3.31Å
131R74.6Confident75.2Confident207 Ų207106.3 Ų106.378%0.78152%0.516SS*.Hα-helixtrans-81.6-28174.6-95.3-172.9162.2-155.5-6.5113.2L128 V129L128-R131 WeakPolarHBondContact O-CA 3.32Å; L128-R131 WeakPolarHBondContact O-CB 3.37Å; L128-R131 PolarHBondContact O-N 3.29Å; V129-R131 PolarHBondContact O-N 3.28Å
132R71.9Confident73.8Confident173 Ų173110.9 Ų110.965%0.65354%0.537SS*.Hα-helixtrans-69.1-53.8171.4-74.1-165.9-177.7-173.41.9110.7L128 V129 K134 R135 E136L128-R132 PolarHBondContact O-N 3.5Å; V129-R132 PolarHBondContact O-N 3.11Å; R132-K134 PolarHBondContact O-N 3.04Å; R132-R135 WeakPolarHBondContact O-CA 3.36Å; R132-R135 WeakPolarHBondContact O-CB 3.49Å; R132-R135 PolarHBondContact O-N 3.36Å; R132-E136 VanDerWaalsContact C-CD 3.47Å; R132-E136 WeakPolarHBondContact CB-OE1 3.38Å; R132-E136 VanDerWaalsContact O-CD 3.3Å; R132-E136 PolarHBondContact O-N 3.18Å
133R71.5Confident72.7Confident155 Ų155105 Ų10559%0.58552%0.524SS*.Hα-helixtrans-50.7-53.2176.5-68.3-177.2-179-168.6-4.2113V129 R135 E136 D137V129-R133 PolarHBondContact O-N 3.35Å; R133-R135 PolarHBondContact O-N 2.89Å; R133-E136 VanDerWaalsContact CA-OE2 3.24Å; R133-E136 WeakPolarHBondContact CA-OE2 3.21Å; R133-E136 PolarHBondContact N-OE2 3.47Å; R133-E136 CarbonylContact O-C 3.54Å; R133-E136 WeakPolarHBondContact O-CA 3.35Å; R133-E136 WeakPolarHBondContact O-CB 3.45Å; R133-E136 PolarHBondContact O-N 3.09Å; R133-D137 WeakPolarHBondContact O-CB 3.28Å; R133-D137 PolarHBondContact O-N 3.07Å
134K72.6Confident71.2Confident125 Ų125108.3 Ų108.354%0.54355%0.549SS..Hα-helixtrans-59.5-24.8176.9178164.6179.7171.80113.8H130 R132 D137 Q138H130-K134 PolarHBondContact O-N 3.31Å; R132-K134 PolarHBondContact O-N 3.04Å; K134-D137 WeakPolarHBondContact CA-OD2 3.29Å; K134-D137 PolarHBondContact N-OD2 3.04Å; K134-Q138 HydrophobicContact CG-CG 4.48Å; K134-Q138 WeakPolarHBondContact O-CB 3.29Å; K134-Q138 VanDerWaalsContact O-CD 3.31Å; K134-Q138 WeakPolarHBondContact O-CG 3.49Å; K134-Q138 PolarHBondContact O-NE2 3.46Å
135R70.3Confident70.1Confident175 Ų175107.5 Ų107.566%0.6655%0.546SS*.Hα-helixtrans-75-46.6172.1175.6176.6-80.3-99.11.6110.9R132 R133 Q138 M139R132-R135 WeakPolarHBondContact O-CA 3.36Å; R132-R135 WeakPolarHBondContact O-CB 3.49Å; R132-R135 PolarHBondContact O-N 3.36Å; R133-R135 PolarHBondContact O-N 2.89Å; R135-Q138 PolarHBondContact O-N 2.77Å; R135-M139 WeakPolarHBondContact O-CB 3.3Å; R135-M139 PolarHBondContact O-N 3.01Å
136E72.6Confident68.8Low92 Ų92112.8 Ų112.843%0.4358%0.581SS.*Hα-helixtrans-57.1-54.5175.2-66.8136.8-160.500110.3R132 R133 Q138 M139 D140R132-E136 VanDerWaalsContact C-CD 3.47Å; R132-E136 WeakPolarHBondContact CB-OE1 3.38Å; R132-E136 VanDerWaalsContact O-CD 3.3Å; R132-E136 PolarHBondContact O-N 3.18Å; R133-E136 VanDerWaalsContact CA-OE2 3.24Å; R133-E136 WeakPolarHBondContact CA-OE2 3.21Å; R133-E136 PolarHBondContact N-OE2 3.47Å; R133-E136 CarbonylContact O-C 3.54Å; R133-E136 WeakPolarHBondContact O-CA 3.35Å; R133-E136 WeakPolarHBondContact O-CB 3.45Å; R133-E136 PolarHBondContact O-N 3.09Å; E136-Q138 PolarHBondContact O-N 3.15Å; E136-M139 PolarHBondContact O-N 3.36Å; E136-D140 PolarHBondContact O-N 3.06Å
137D70.5Confident67.6Low115 Ų115119.8 Ų119.862%0.61560%0.596SS**THydrogen-bonded Turntrans-54.6-20.6177-54.5-38.7000114.8R133 K134R133-D137 WeakPolarHBondContact O-CB 3.28Å; R133-D137 PolarHBondContact O-N 3.07Å; K134-D137 WeakPolarHBondContact CA-OD2 3.29Å; K134-D137 PolarHBondContact N-OD2 3.04Å
138Q66.6Low66.6Low127 Ų127122.7 Ų122.759%0.59361%0.605SS**THydrogen-bonded Turntrans-103.31.4179-70.4174.8136.200113K134 R135 E136K134-Q138 HydrophobicContact CG-CG 4.48Å; K134-Q138 WeakPolarHBondContact O-CB 3.29Å; K134-Q138 VanDerWaalsContact O-CD 3.31Å; K134-Q138 WeakPolarHBondContact O-CG 3.49Å; K134-Q138 PolarHBondContact O-NE2 3.46Å; R135-Q138 PolarHBondContact O-N 2.77Å; E136-Q138 PolarHBondContact O-N 3.15Å
139M63.6Low65.7Low148 Ų148122.4 Ų122.473%0.72961%0.614SS**THydrogen-bonded Turntrans-119.6-33.7-175.1-154.8132.2164.900111.1R135 E136 G141R135-M139 WeakPolarHBondContact O-CB 3.3Å; R135-M139 PolarHBondContact O-N 3.01Å; E136-M139 PolarHBondContact O-N 3.36Å; M139-G141 VanDerWaalsContact C-N 3.26Å
140D62.3Low65Low140 Ų140126.8 Ų126.875%0.74963%0.629SS**SBendtrans-81.8-5.3166.3-57.3-65.2000112.6E136 D142E136-D140 PolarHBondContact O-N 3.06Å; D140-D142 PolarHBondContact O-N 3.41Å
141G60.8Low64.6Low48 Ų48130 Ų13050%0.49564%0.635SS.*  trans-89.158.2-176.700000113.9M139 G143M139-G141 VanDerWaalsContact C-N 3.26Å; G141-G143 PolarHBondContact O-N 3.01Å
142D56.8Low64.1Low173 Ų173127 Ų12793%0.92563%0.63SS**  trans-77.648-179.6-146.8-9.5000112.4D140D140-D142 PolarHBondContact O-N 3.41Å
143G62.9Low63.7Low51 Ų51124.6 Ų124.653%0.52664%0.637SS.*SBendtrans-129.4147179.400000110.8G141G141-G143 PolarHBondContact O-N 3.01Å
144P54.3Low63Low102 Ų102123.7 Ų123.766%0.66265%0.649SS**  trans-57145.2-176.323.9-34.1000111.3
145S59.8Low62.2Low50 Ų50123.8 Ų123.835%0.3567%0.666SS.*  trans-59.2138.5-176.4-171.50000109.7R147 E148S145-R147 PolarHBondContact O-N 3.38Å; S145-E148 WeakPolarHBondContact CA-OE2 3.46Å; S145-E148 VanDerWaalsContact CB-CD 3.41Å; S145-E148 WeakPolarHBondContact CB-OE2 3.46Å; S145-E148 PolarHBondContact N-OE2 3.41Å; S145-E148 PolarHBondContact O-N 3.5Å
146P59.6Low61.3Low125 Ų125120.3 Ų120.381%0.81267%0.668SS**THydrogen-bonded Turntrans-60.12.2172-25.835.4000115.1
147R56.2Low60.5Low201 Ų201123.9 Ų123.976%0.75869%0.69SS**THydrogen-bonded Turntrans-94.4-29.2167.8-88.6-176.2154.5-148.2-7.8114.5S145 W151S145-R147 PolarHBondContact O-N 3.38Å; R147-W151 VanDerWaalsContact O-CD1 3.23Å
148E57.5Low59.5Low104 Ų104126.6 Ų126.649%0.48670%0.699SS.*THydrogen-bonded Turntrans-76.7-55.7-178.6-76.9131.7-158.500109.4S145 F150 W151 E152S145-E148 WeakPolarHBondContact CA-OE2 3.46Å; S145-E148 VanDerWaalsContact CB-CD 3.41Å; S145-E148 WeakPolarHBondContact CB-OE2 3.46Å; S145-E148 PolarHBondContact N-OE2 3.41Å; S145-E148 PolarHBondContact O-N 3.5Å; E148-F150 PolarHBondContact O-N 3.23Å; E148-W151 PolarHBondContact O-N 2.79Å; E148-E152 PolarHBondContact O-N 2.8Å
149A60.2Low59.1Low72 Ų72124.4 Ų124.460%0.59571%0.711SS**THydrogen-bonded Turntrans-65.28174.800000115.4
150F65.6Low58.6Low145 Ų145120.8 Ų120.864%0.63671%0.711SS**THydrogen-bonded Turntrans-98.8-22169.7179.1-96.1000112.8E148E148-F150 PolarHBondContact O-N 3.23Å
151W65.5Low58.4Low201 Ų201118.4 Ų118.476%0.76171%0.711SS**THydrogen-bonded Turntrans-108.6-17.5-177.2-67.9116.6000114R147 E148 P153R147-W151 VanDerWaalsContact O-CD1 3.23Å; E148-W151 PolarHBondContact O-N 2.79Å; W151-P153 WeakPolarHBondContact O-CD 3.18Å
152E65.1Low58.1Low144 Ų144122.5 Ų122.567%0.67373%0.729SS**SBendtrans-79.8120.2175.3-66.6-180159.400110.8E148 T154E148-E152 PolarHBondContact O-N 2.8Å; E152-T154 PolarHBondContact O-N 3.49Å
153P63.7Low58Low123 Ų123119.3 Ų119.380%0.79972%0.72SS**  trans-65.1133.2171-18.532.6000110.2W151 S155W151-P153 WeakPolarHBondContact O-CD 3.18Å; P153-S155 PolarHBondContact O-N 2.99Å; P153-S155 VanDerWaalsContact O-N 3.1Å
154T56.2Low57.7Low136 Ų136124.5 Ų124.583%0.83474%0.736SS**  trans-62.1114.5173.848.20000110E152 S156E152-T154 PolarHBondContact O-N 3.49Å; T154-S156 VanDerWaalsContact C-N 3.34Å; T154-S156 PolarHBondContact O-N 2.94Å
155S55.3Low58.2Low127 Ų127125.8 Ų125.889%0.88874%0.737SS**  trans-67.988.2177.258.10000110.8P153P153-S155 PolarHBondContact O-N 2.99Å; P153-S155 VanDerWaalsContact O-N 3.1Å
156S52Low58.8Low103 Ų103127.2 Ų127.272%0.7275%0.747SS**  trans-96.3110.4174-165.90000109T154 E158T154-S156 VanDerWaalsContact C-N 3.34Å; T154-S156 PolarHBondContact O-N 2.94Å; S156-E158 PolarHBondContact O-N 3.4Å
157D55.7Low59.7Low166 Ų166126.6 Ų126.689%0.88874%0.735SS**  trans-75.6115.3173.4-174.545.2000109.7
158E49.9Very low60.2Low173 Ų173120.5 Ų120.581%0.80872%0.72SS**  trans-157.6134.6173.2-110.6-80.276.400107.7S156 G160S156-E158 PolarHBondContact O-N 3.4Å; E158-G160 PolarHBondContact O-N 3.11Å
159G57.8Low61.3Low81 Ų81122.6 Ų122.684%0.83574%0.735SS**  trans-76.270.4-161.500000115.9
160G52.6Low62.3Low71 Ų71124.2 Ų124.273%0.73273%0.733SS**  trans-71.9131169.400000112.5E158E158-G160 PolarHBondContact O-N 3.11Å
161A58.9Low63Low90 Ų90124.6 Ų124.674%0.74473%0.731SS**  trans-61.5148172.400000111.1S163A161-S163 PolarHBondContact O-N 3.02Å
162P53.3Low63.7Low134 Ų134117.2 Ų117.287%0.8771%0.709SS**  trans-64105179.426.4-34.1000110.4
163S54.7Low64Low107 Ų107113.7 Ų113.775%0.74870%0.699SS**  trans-73.8129.7167-174.10000108.4A161 D165A161-S163 PolarHBondContact O-N 3.02Å; S163-D165 PolarHBondContact O-N 2.99Å
164D56.8Low64.4Low159 Ų159114.2 Ų114.285%0.8569%0.69SS**  trans-79.546.1-172.9-141.6-6000112.1S166D164-S166 PolarHBondContact O-N 2.77Å
165D66.3Low64.8Low130 Ų130113.9 Ų113.970%0.69568%0.683SS**  trans-80.150.2-176.9-162.612.1000111.2S163 M167S163-D165 PolarHBondContact O-N 2.99Å; D165-M167 PolarHBondContact O-N 3.04Å
166S71.8Confident65.6Low79 Ų79114.9 Ų114.955%0.55267%0.672SS**  trans-81.8102.2179.7-172.10000110D164 T168D164-S166 PolarHBondContact O-N 2.77Å; S166-T168 PolarHBondContact O-N 3.44Å; S166-T168 PolarHBondContact OG-OG1 3.09Å
167M77.9Confident66.5Low112 Ų112114.6 Ų114.655%0.55267%0.666SS**G310 helixtrans-68.230.4179.7-70.7-166.2158.600115.2D165 D169 L170 Y171D165-M167 PolarHBondContact O-N 3.04Å; M167-D169 PolarHBondContact O-N 3.26Å; M167-L170 HydrophobicContact CB-CD1 4.45Å; M167-L170 HydrophobicContact CE-CD1 4.23Å; M167-L170 HydrophobicContact CG-CD1 4.32Å; M167-L170 PolarHBondContact O-N 3.41Å; M167-L170 HydrophobicContact SD-CD1 3.93Å; M167-Y171 PolarHBondContact O-N 2.94Å
168T68.1Low66.7Low74 Ų74117.3 Ų117.345%0.45466%0.663SS.*G310 helixtrans-63.3-28.3178.3-45.50000112.5S166 L170 Y171S166-T168 PolarHBondContact O-N 3.44Å; S166-T168 PolarHBondContact OG-OG1 3.09Å; T168-L170 VanDerWaalsContact C-N 3.27Å; T168-L170 PolarHBondContact O-N 3.34Å; T168-Y171 CarbonylContact O-C 3.57Å; T168-Y171 PolarHBondContact O-N 3.37Å
169D78.9Confident67.2Low148 Ų148117.9 Ų117.979%0.79166%0.663SS**G310 helixtrans-62.7-31.8172.1-173.954.2000112.6M167M167-D169 PolarHBondContact O-N 3.26Å
170L82.6Confident66.9Low106 Ų106121 Ų12156%0.55566%0.661SS**THydrogen-bonded Turntrans-86.4-19.7176.9-59.2-177.9000113.2M167 T168M167-L170 HydrophobicContact CB-CD1 4.45Å; M167-L170 HydrophobicContact CE-CD1 4.23Å; M167-L170 HydrophobicContact CG-CD1 4.32Å; M167-L170 PolarHBondContact O-N 3.41Å; M167-L170 HydrophobicContact SD-CD1 3.93Å; T168-L170 VanDerWaalsContact C-N 3.27Å; T168-L170 PolarHBondContact O-N 3.34Å
171Y79.3Confident66.6Low152 Ų152125 Ų12560%0.59667%0.665SS**SBendtrans-135.472.7178.7-65.7-81.2000111.6M167 T168 F176M167-Y171 PolarHBondContact O-N 2.94Å; T168-Y171 CarbonylContact O-C 3.57Å; T168-Y171 PolarHBondContact O-N 3.37Å; Y171-F176 HydrophobicContact CD1-CE2 4.18Å; Y171-F176 HydrophobicContact CD1-CZ 4.2Å
172P80.9Confident65.6Low46 Ų46124 Ų12430%0.29966%0.663SS.*  trans-58.9134.1176.3-23.734.2000111.4E174 L175P172-E174 WeakPolarHBondContact CB-OE2 3.26Å; P172-E174 PolarHBondContact O-N 2.87Å; P172-E174 VanDerWaalsContact O-N 3.13Å; P172-L175 WeakPolarHBondContact O-CB 3.45Å; P172-L175 PolarHBondContact O-N 3.3Å; P172-L175 VanDerWaalsContact O-N 3.12Å
173P70.4Confident65.1Low71 Ų71123.6 Ų123.646%0.46166%0.663SS.*G310 helixtrans-62.7-22.1-174.525.7-34.6000113.4L175 F176 T177P173-L175 PolarHBondContact O-N 3.17Å; P173-F176 CarbonylContact O-C 3.49Å; P173-F176 WeakPolarHBondContact O-CA 3.41Å; P173-F176 PolarHBondContact O-N 2.81Å; P173-T177 PolarHBondContact O-N 3.06Å
174E72Confident64.1Low133 Ų133123.9 Ų123.962%0.62166%0.66SS**G310 helixtrans-63.3-20.1177.1-56.976.6-168.200112.9P172 F176 T177P172-E174 WeakPolarHBondContact CB-OE2 3.26Å; P172-E174 PolarHBondContact O-N 2.87Å; P172-E174 VanDerWaalsContact O-N 3.13Å; E174-F176 VanDerWaalsContact C-N 3.28Å; E174-T177 WeakPolarHBondContact CA-OG1 3.32Å; E174-T177 PolarHBondContact O-OG1 3.24Å
175L66.5Low63.1Low130 Ų130124.2 Ų124.268%0.68166%0.657SS**G310 helixtrans-75.4-18.2171.9-60.6-179.3000112.9P172 P173P172-L175 WeakPolarHBondContact O-CB 3.45Å; P172-L175 PolarHBondContact O-N 3.3Å; P172-L175 VanDerWaalsContact O-N 3.12Å; P173-L175 PolarHBondContact O-N 3.17Å
176F71.2Confident61.6Low148 Ų148125.6 Ų125.665%0.64966%0.664SS**THydrogen-bonded Turntrans-115.6-14.5-175.3-62.3-78.9000113.4Y171 P173 E174 R178Y171-F176 HydrophobicContact CD1-CE2 4.18Å; Y171-F176 HydrophobicContact CD1-CZ 4.2Å; P173-F176 CarbonylContact O-C 3.49Å; P173-F176 WeakPolarHBondContact O-CA 3.41Å; P173-F176 PolarHBondContact O-N 2.81Å; E174-F176 VanDerWaalsContact C-N 3.28Å; F176-R178 PolarHBondContact O-N 3.33Å
177T69.8Low59.8Low97 Ų97126.5 Ų126.560%0.59568%0.676SS**SBendtrans-61.7105.716648.80000109.4P173 E174 K179P173-T177 PolarHBondContact O-N 3.06Å; E174-T177 WeakPolarHBondContact CA-OG1 3.32Å; E174-T177 PolarHBondContact O-OG1 3.24Å; T177-K179 PolarHBondContact O-N 2.93Å
178R61.1Low57.8Low222 Ų222129.1 Ų129.184%0.83869%0.693SS**  trans-52.1134.1168.2-172.6177.4-174.6170.7-0.1107.9F176 D180F176-R178 PolarHBondContact O-N 3.33Å; R178-D180 VanDerWaalsContact C-N 3.34Å; R178-D180 PolarHBondContact O-N 3.36Å
179K61Low56.4Low186 Ų186128.8 Ų128.881%0.80970%0.704SS**  trans-70.891.4-175.1-170169.5-174.4173.10110.1T177 L181T177-K179 PolarHBondContact O-N 2.93Å; K179-L181 PolarHBondContact O-N 3.37Å
180D50.7Low54.6Low146 Ų146127.7 Ų127.778%0.78170%0.703SS**  trans-64.398.6173.7-68.9-34.4000109R178 G182R178-D180 VanDerWaalsContact C-N 3.34Å; R178-D180 PolarHBondContact O-N 3.36Å; D180-G182 PolarHBondContact O-N 2.87Å
181L45.3Very low52.4Low156 Ų156128.8 Ų128.882%0.81771%0.709SS**  trans-68.999.4164.9-66.1175.1000106.5K179K179-L181 PolarHBondContact O-N 3.37Å
182G39.1Very low50.4Low69 Ų69127.6 Ų127.671%0.71171%0.713SS**  trans-59144.4-175.200000112.6D180 T184D180-G182 PolarHBondContact O-N 2.87Å; G182-T184 PolarHBondContact O-N 2.87Å
183S42.1Very low48.2Very low124 Ų124134 Ų13487%0.86774%0.737SS**  trans-64.3118.2179.2-50.30000112.3
184T33.6Very low46.8Very low113 Ų113138.1 Ų138.169%0.69375%0.754SS**  trans-153.9122.1141.135.40000110.2G182G182-T184 PolarHBondContact O-N 2.87Å
185E36.4Very low45.3Very low167 Ų167138.4 Ų138.478%0.7877%0.765SS**  trans64.9110.5139.7-68148.7-139.300120.8
186D35.4Very low43.7Very low159 Ų159138.1 Ų138.185%0.8576%0.764SS**  trans73.2162.4142.6-62.7-35.7000122.4
187A33.1Very low42.4Very low97 Ų97139.9 Ų139.980%0.80277%0.774SS**  trans73103174.600000118.9
188D36.3Very low40.7Very low168 Ų168143.2 Ų143.290%0.89878%0.783SS**  trans0.6133.4131-170.832.3000118.3
189G38.9Very low39.4Very low67 Ų67139.8 Ų139.869%0.69178%0.781SS**  trans177.7119.717500000113.1
190T40.9Very low38.2Very low125 Ų125136.9 Ų136.977%0.76777%0.771SS**  trans-68.9157.9163.158.60000109.3
191D35.6Very low37.3Very low129 Ų129138 Ų13869%0.6977%0.769SS**  -173.8149.776.4-116.7-150.3000110.4
192D37.7Very low36.5Very low126 Ų126135.1 Ų135.167%0.67477%0.767SS**  trans58.8165.3142.4-8220.4000121.3
193F35.5Very low36.2Very low182 Ų182141 Ų14180%0.79877%0.773SS**  cis-136.6134.216.4-156.8-88000111.4
194L40.5Very low36.4Very low157 Ų157140.6 Ų140.682%0.82277%0.767SS**  trans-84.9145.1177.3-74169.1000111.8
195T40.2Very low37Very low139 Ų139140 Ų14085%0.85377%0.766SS**  trans-82.3120.6170.5-47.10000109.9
196D34.4Very low36.8Very low124 Ų124142.2 Ų142.266%0.66377%0.767SS**  trans-115.2134.2169.7-17636.6000110.7
197E43Very low36.7Very low185 Ų185140.8 Ų140.886%0.86476%0.755SS**  trans-127.9110.7169.6-76.5-162.9121.400108.1
198Q33.3Very low36.7Very low167 Ų167144.4 Ų144.478%0.7875%0.753SS**  trans-142.790.4177-124.4173118.300115.1
199D34.4Very low36.3Very low149 Ų149142.5 Ų142.580%0.79775%0.747SS**  43.7141.9124.4-145.723.1000124.5
200E36.2Very low35.7Very low126 Ų126145 Ų14559%0.58975%0.749SS**  trans54.1131.6150.5-84.3-86.869.600125.9
201K32.1Very low35Very low169 Ų169146.2 Ų146.274%0.73575%0.751SS**  116138.3124.7-99.8178.7-164.977.10123.8
202A28.8Very low34.7Very low95 Ų95148.5 Ų148.579%0.78576%0.757SS**  trans87.1164.114400000122.6
203K32.6Very low34.2Very low194 Ų194145.5 Ų145.584%0.84376%0.756SS**  trans-157-169.6-168.9-53.7-178.2-179.7175.20110.1
204P45.8Very low34Very low114 Ų114148.8 Ų148.874%0.7476%0.763SS**  cis-129.9-34.1-24.513.38.2000125.9
205P46.3Very low33.5Very low101 Ų101151.4 Ų151.466%0.65676%0.762SS**  -131169-11343.4-29.7000121.3
206R32.5Very low33.1Very low214 Ų214151.7 Ų151.781%0.80875%0.754SS**  trans92.1121161-59.5-165.6167.4-174.5-3.3117.8
207E31.8Very low32.8Very low128 Ų128152 Ų15260%0.59876%0.761SS**  77.2148.394.2-67.3175.27700114.3
208K33.5Very low32.1Very low173 Ų173147.8 Ų147.875%0.75276%0.758SS**  cis-170.1170.94.5-111.8171.9175.3152.30108.3
209V28.3Very low31.9Very low128 Ų128146.3 Ų146.378%0.77676%0.759SS**  cis-156.1-97.9-6.860.50000116.1
210T27.1Very low31.5Very low119 Ų119149.4 Ų149.473%0.7376%0.761SS**  trans-93.6163.7-170.941.40000114.1
211D26.6Very low31.3Very low151 Ų151154.7 Ų154.781%0.80778%0.776SS**  -169.5-174.864.7-162.118.1000115.8
212E27.8Very low31.2Very low177 Ų177150 Ų15083%0.82778%0.776SS**  trans-60.4160.1-172.3-77.1-86.514500120.2
213G26.7Very low31.5Very low64 Ų64153.2 Ų153.266%0.6678%0.779SS**  128.5128.2122.600000122.2
214R31.8Very low31.6Very low251 Ų251149.5 Ų149.595%0.94777%0.772SS**  trans82.1151.4145.6-165.9172.3-84.3-138.2-0.6120.9
215R31.5Very low31.4Very low212 Ų212152.7 Ų152.780%0.878%0.777SS**  trans-88.9-179.6-178.2-48.7172.6-172.5162.80.9110.1
216E30.3Very low31.3Very low144 Ų144157 Ų15767%0.67379%0.786SS**  cis-170.6169.628.3-143.3146.3-121.300111.8
217T27.6Very low31.6Very low131 Ų131158.8 Ų158.880%0.80479%0.792SS**  trans52.2113.9159.146.50000123.9
218A28.4Very low31.8Very low97 Ų97156.1 Ų156.180%0.80280%0.799SS**  trans174.3105.4130.300000109.5
219V29Very low32.5Very low135 Ų135157.3 Ų157.382%0.81880%0.804SS**  90.7134.868.9169.70000114.6
220Y27.1Very low33.5Very low214 Ų214161 Ų16184%0.83981%0.81SS**  trans84.578.5167.5-113.9-91.5000123.9
221R31.6Very low34.2Very low238 Ų238162.8 Ų162.890%0.89881%0.81SS**  trans-2.5121.3137.1-172.1-168.3-57.6-152.53119.5
222G30.5Very low35.2Very low71 Ų71163.6 Ų163.673%0.73281%0.813SS**  trans175.2148.815700000111.3
223L33.9Very low35.6Very low161 Ų161158.2 Ų158.284%0.84381%0.805SS**  cis-151.3150-3.6-152.2140.7000109.5
224V36.2Very low36.7Very low117 Ų117160.9 Ų160.971%0.70981%0.814SS**  trans-86.7133.3-178.5172.60000111.6K226V224-K226 HydrophobicContact CG1-CG 4.44Å
225Q41.1Very low37.5Very low180 Ų180157.3 Ų157.384%0.84181%0.812SS**  trans-130.6114.8159.1-66-160.715.600112.4
226K43.8Very low38.4Very low192 Ų192156.4 Ų156.484%0.83581%0.814SS**  trans-99.2119.5167.4-71.7179.1178175.20109.5V224V224-K226 HydrophobicContact CG1-CG 4.44Å
227R39.1Very low39.5Very low252 Ų252157.7 Ų157.795%0.95182%0.818SS**  trans-166.2135162.2-102.6161.2-177.1-171.20107.7
228G37.1Very low40.6Very low71 Ų71161.1 Ų161.173%0.73282%0.821SS**  cis-166.4152-900000110.4K230G228-K230 PolarHBondContact O-N 3.45Å
229K46.4Very low41.4Very low198 Ų198164.7 Ų164.786%0.86182%0.819SS**  trans-74.1118.7-177.7-171.2177.3-177.2179.60110.1
230K49.1Very low42.4Very low205 Ų205167.6 Ų167.689%0.89182%0.821SS**  trans-108.4147.4167.8-78.7-169.8173.8-177.30111G228G228-K230 PolarHBondContact O-N 3.45Å
231Q42.4Very low43.4Very low157 Ų157162.2 Ų162.273%0.73482%0.815SS**  trans-85.6175.4-166.4-73.9-73.416.200113.6
232L48.3Very low44.5Very low169 Ų169158.9 Ų158.989%0.88581%0.809SS**  trans-56.4136.5174.4-66.487.8000111.5
233G35.3Very low45.3Very low64 Ų64164.2 Ų164.266%0.6682%0.815SS**  trans-136.3110.817000000110.3L235G233-L235 PolarHBondContact O-N 3.43Å
234S50.7Low45.9Very low120 Ų120162.5 Ų162.584%0.83981%0.814SS**  trans-80.478.3-174.845.50000112K236S234-K236 VanDerWaalsContact C-N 3.28Å; S234-K236 PolarHBondContact O-N 3.43Å
235L47.3Very low46.9Very low175 Ų175166.1 Ų166.192%0.91682%0.821SS**  trans-66.180.2176.3-72.7172.3000112.3G233 K237G233-L235 PolarHBondContact O-N 3.43Å; L235-K237 PolarHBondContact O-N 2.97Å
236K51.9Low47.5Very low193 Ų193163.3 Ų163.384%0.83982%0.818SS**  trans-63.1104.9165.5-76.4-163.3176.3-174.80108.9S234 K238S234-K236 VanDerWaalsContact C-N 3.28Å; S234-K236 PolarHBondContact O-N 3.43Å; K236-K238 PolarHBondContact O-N 3.42Å
237K53Low48.2Very low171 Ų171163.7 Ų163.774%0.74382%0.82SS**  trans-57.596.9173.2-174.7174-176.4173.50109.7L235 F239L235-K237 PolarHBondContact O-N 2.97Å; K237-F239 WeakPolarHBondContact O-CD2 3.41Å; K237-F239 PolarHBondContact O-N 3.39Å
238K51Low48.7Very low203 Ų203157.1 Ų157.188%0.88381%0.812SS**  trans-64.6105.1175.1-71-172.6177.5-1770108.7K236 K240K236-K238 PolarHBondContact O-N 3.42Å; K238-K240 PolarHBondContact O-N 3.2Å
239F45.1Very low49.1Very low173 Ų173163.9 Ų163.976%0.75982%0.822SS**  trans-67.2128.2168-77.3-95.6000108.6K237 S241K237-F239 WeakPolarHBondContact O-CD2 3.41Å; K237-F239 PolarHBondContact O-N 3.39Å; F239-S241 PolarHBondContact O-N 3.42Å; F239-S241 VanDerWaalsContact O-N 3.09Å
240K50.6Low49.2Very low195 Ų195159.8 Ų159.885%0.84882%0.818SS**  trans-78.593.5178.5-140.8172.4-175.4-178.50107.7K238 H242K238-K240 PolarHBondContact O-N 3.2Å; K240-H242 PolarHBondContact O-N 2.87Å
241S47.4Very low49.3Very low102 Ų102155.4 Ų155.471%0.71381%0.813SS**  trans-71.7113.3-179.752.10000110.3F239F239-S241 PolarHBondContact O-N 3.42Å; F239-S241 VanDerWaalsContact O-N 3.09Å
242H54.4Low49.2Very low168 Ų168153.7 Ų153.778%0.77882%0.817SS**  trans-68.5140.2170.5-70.1-101.9000109.8K240 C244K240-H242 PolarHBondContact O-N 2.87Å; H242-C244 PolarHBondContact O-N 2.87Å
243H47.5Very low49.2Very low183 Ų183155.2 Ų155.285%0.84782%0.817SS**  trans-74.394.5-172-67.6-93.1000112.2K245H243-K245 PolarHBondContact O-N 3.3Å
244C46.7Very low50Low124 Ų124160.4 Ų160.484%0.83882%0.824SS**  trans-71103.2161.9-63.10000109.2H242H242-C244 PolarHBondContact O-N 2.87Å
245K56.8Low50.2Low193 Ų193160.4 Ų160.484%0.83982%0.821SS**PPolyproline II helixtrans-63.1127.5168.5-65.8-177.5179.7-179.40108.8H243H243-K245 PolarHBondContact O-N 3.3Å
246P53.7Low49.8Very low122 Ų122159.4 Ų159.479%0.79285%0.853SS**PPolyproline II helixtrans-66.8138.8171.328.6-33.1000109.5S248P246-S248 PolarHBondContact O-N 3.14Å
247K58Low49.6Very low199 Ų199157.7 Ų157.787%0.86585%0.854SS**PPolyproline II helixtrans-69128.7166.3-70.4-173.6175.8-173.70108.1
248S49.8Very low49.5Very low114 Ų114157 Ų15780%0.79786%0.86SS**PPolyproline II helixtrans-65.9134.9170.537.20000110P246 S250P246-S248 PolarHBondContact O-N 3.14Å; S248-S250 PolarHBondContact O-N 2.87Å
249F46.4Very low49.4Very low213 Ų213154.4 Ų154.493%0.93486%0.858SS**  trans-76.699.3168.2-74.7-95.3000108.5S251F249-S251 PolarHBondContact O-N 3.35Å
250S48.7Very low49.6Very low112 Ų112153.4 Ų153.478%0.78386%0.864SS**PPolyproline II helixtrans-65.4120.2164.553.30000108.8S248S248-S250 PolarHBondContact O-N 2.87Å
251S50.1Low49.6Very low113 Ų113150.8 Ų150.879%0.7987%0.865SS**PPolyproline II helixtrans-62.4140.9179.741.20000111.7F249 K253F249-S251 PolarHBondContact O-N 3.35Å; S251-K253 PolarHBondContact O-N 3.12Å
252C41.2Very low49.7Very low121 Ų121154 Ų15482%0.81888%0.875SS**PPolyproline II helixtrans-68.2123.3172.1-65.10000109.3
253K48.5Very low49.4Very low202 Ų202153 Ų15388%0.87888%0.882SS**PPolyproline II helixtrans-72.2123.8160.6-71.6-176.6175-1770108S251S251-K253 PolarHBondContact O-N 3.12Å
254Q51.2Low49.5Very low172 Ų172150.7 Ų150.780%0.80489%0.885SS**PPolyproline II helixtrans-72.7145.7164.1-74.2-81.1-36.800109
255P54.4Low49.8Very low120 Ų120152.9 Ų152.978%0.77989%0.889SS**PPolyproline II helixtrans-79.8141.6165.133.6-31.8000110.5
256G38.6Very low49.1Very low154 Ų154149.3 Ų149.3100%1.58889%0.894SS**  trans-177.60177.500000109.6

Retrieved 256 of 256 residues in 613 ms (Link to these results)