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Insulin-like growth factor-binding protein 3 receptor

Cell death receptor specific for IGFBP3, may mediate caspase-8-dependent apoptosis upon ligand binding.

AlphaFold DB , UniProt , Accession Q86XT9, Species HUMAN (Homo sapiens, Human), Gene TMEM219, Length 240 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
1M36.6Very low52.9Low242 Ų242115.7 Ų115.7100%1.19268%0.678SS**  0106.10-71.3149.5108.500106.8N3M1-N3 PolarHBondContact O-N 3.06Å
2G43.8Very low53.7Low80 Ų80115.2 Ų115.283%0.82567%0.669SS**  trans-80.5101.8-171.300000110.9C4G2-C4 PolarHBondContact O-N 3.17Å
3N43.9Very low54.1Low155 Ų155107.8 Ų107.883%0.82963%0.628SS**  trans-64.1123.6170.2-91.7-0.1000109.1M1 Q5M1-N3 PolarHBondContact O-N 3.06Å; N3-Q5 PolarHBondContact O-N 3.32Å
4C48.7Very low54.5Low125 Ų125105.1 Ų105.185%0.84561%0.609SS**  trans-54.998.2178-66.10000111.4G2 A6G2-C4 PolarHBondContact O-N 3.17Å; C4-A6 PolarHBondContact O-N 3.42Å; C4-A6 VanDerWaalsContact O-N 3.1Å
5Q57.7Low55Low133 Ų133102.7 Ų102.762%0.62161%0.606SS**THydrogen-bonded Turntrans-79.623175.1-154.3163-13.200112.2N3 G7 H8 N9N3-Q5 PolarHBondContact O-N 3.32Å; Q5-G7 VanDerWaalsContact C-N 3.32Å; Q5-G7 PolarHBondContact O-N 2.85Å; Q5-H8 HydrophobicContact CG-CB 3.74Å; Q5-H8 PolarHBondContact O-N 2.76Å; Q5-N9 PolarHBondContact O-N 3.2Å
6A55.3Low55.8Low71 Ų71105.3 Ų105.359%0.58761%0.61SS**Hα-helixtrans-64.1-37.2-179.400000111.8C4 H8 L10C4-A6 PolarHBondContact O-N 3.42Å; C4-A6 VanDerWaalsContact O-N 3.1Å; A6-H8 PolarHBondContact O-N 3.16Å; A6-L10 WeakPolarHBondContact O-CB 3.26Å; A6-L10 PolarHBondContact O-N 3.36Å; A6-L10 VanDerWaalsContact O-N 3.1Å
7G56.7Low56.4Low52 Ų52104 Ų10454%0.53660%0.597SS.*Hα-helixtrans-67.1-33176.800000113.8Q5 H11Q5-G7 VanDerWaalsContact C-N 3.32Å; Q5-G7 PolarHBondContact O-N 2.85Å; G7-H11 WeakPolarHBondContact O-CB 3.4Å; G7-H11 PolarHBondContact O-N 3.27Å
8H58.1Low57.3Low130 Ų130102.8 Ų102.860%0.60259%0.594SS**Hα-helixtrans-75.8-38.6-178.7-131.192.5000111.8Q5 A6 H11 L12Q5-H8 HydrophobicContact CG-CB 3.74Å; Q5-H8 PolarHBondContact O-N 2.76Å; A6-H8 PolarHBondContact O-N 3.16Å; H8-H11 PolarHBondContact O-N 3.4Å; H8-L12 PolarHBondContact O-N 2.95Å
9N56.2Low58.4Low61 Ų61102.5 Ų102.533%0.32660%0.596SS.*Hα-helixtrans-68.7-35.3174.2-71.4-26.7000112Q5 L12 C13Q5-N9 PolarHBondContact O-N 3.2Å; N9-L12 PolarHBondContact O-N 2.9Å; N9-C13 WeakPolarHBondContact O-CB 3.31Å; N9-C13 PolarHBondContact O-N 3Å
10L61.3Low59.2Low96 Ų96101.1 Ų101.150%0.50359%0.585SS.*Hα-helixtrans-62.2-49.4171.6-166.877000110.1A6 L12 C13 L14A6-L10 WeakPolarHBondContact O-CB 3.26Å; A6-L10 PolarHBondContact O-N 3.36Å; A6-L10 VanDerWaalsContact O-N 3.1Å; L10-L12 VanDerWaalsContact C-N 3.31Å; L10-L12 PolarHBondContact O-N 3.31Å; L10-C13 PolarHBondContact O-N 2.96Å; L10-L14 HydrophobicContact CD2-CD1 4.16Å; L10-L14 HydrophobicContact CG-CD1 3.86Å; L10-L14 HydrophobicContact CG-CG 4.2Å; L10-L14 VanDerWaalsContact O-CB 3.3Å; L10-L14 WeakPolarHBondContact O-CB 3.48Å; L10-L14 WeakPolarHBondContact O-CG 3.36Å; L10-L14 PolarHBondContact O-N 3.32Å
11H64Low60Low128 Ų12897.6 Ų97.659%0.59357%0.565SS**Hα-helixtrans-58.7-40.5177.7-171.8-87.7000112.9G7 H8 L14 A15G7-H11 WeakPolarHBondContact O-CB 3.4Å; G7-H11 PolarHBondContact O-N 3.27Å; H8-H11 PolarHBondContact O-N 3.4Å; H11-L14 PolarHBondContact O-N 3.33Å; H11-A15 WeakPolarHBondContact O-CB 3.41Å; H11-A15 PolarHBondContact O-N 3.04Å
12L62.3Low62.2Low109 Ų10989.4 Ų89.457%0.57153%0.531SS*.Hα-helixtrans-67-41.4177.8-154.482.1000112.1H8 N9 L10 A15 H16H8-L12 PolarHBondContact O-N 2.95Å; N9-L12 PolarHBondContact O-N 2.9Å; L10-L12 VanDerWaalsContact C-N 3.31Å; L10-L12 PolarHBondContact O-N 3.31Å; L12-A15 PolarHBondContact O-N 2.9Å; L12-H16 PolarHBondContact O-N 2.93Å; L12-H16 VanDerWaalsContact O-N 3.15Å
13C59.1Low64.1Low20 Ų2087.8 Ų87.814%0.13551%0.51CS..Hα-helixtrans-69-36.6175.8-1690000112.1N9 L10 A15 H17 F227N9-C13 WeakPolarHBondContact O-CB 3.31Å; N9-C13 PolarHBondContact O-N 3Å; L10-C13 PolarHBondContact O-N 2.96Å; C13-A15 VanDerWaalsContact C-N 3.33Å; C13-H17 PolarHBondContact O-N 3.26Å; C13-F227 HydrophobicContact CB-CD2 4.42Å; C13-F227 VanDerWaalsContact SG-CD2 3.58Å; C13-F227 WeakPolarHBondContact SG-CE2 3.27Å
14L58.8Low66.1Low70 Ų7081.4 Ų81.437%0.36648%0.476SS..Hα-helixtrans-64.9-37174.4-70.2167.9000111.1L10 H11 V21L10-L14 HydrophobicContact CD2-CD1 4.16Å; L10-L14 HydrophobicContact CG-CD1 3.86Å; L10-L14 HydrophobicContact CG-CG 4.2Å; L10-L14 VanDerWaalsContact O-CB 3.3Å; L10-L14 WeakPolarHBondContact O-CB 3.48Å; L10-L14 WeakPolarHBondContact O-CG 3.36Å; L10-L14 PolarHBondContact O-N 3.32Å; H11-L14 PolarHBondContact O-N 3.33Å; L14-V21 HydrophobicContact CB-CG2 3.91Å; L14-V21 HydrophobicContact CD2-CB 3.85Å; L14-V21 HydrophobicContact CD2-CG1 3.43Å; L14-V21 VanDerWaalsContact CD2-CG1 3.43Å; L14-V21 HydrophobicContact CD2-CG2 3.29Å; L14-V21 HydrophobicContact CG-CG2 4.15Å; L14-V21 WeakPolarHBondContact O-CG2 3.41Å
15A62.8Low67.8Low68 Ų6879.9 Ų79.956%0.56246%0.46SS*.Hα-helixtrans-74.2-32.217900000113.6H11 L12 C13H11-A15 WeakPolarHBondContact O-CB 3.41Å; H11-A15 PolarHBondContact O-N 3.04Å; L12-A15 PolarHBondContact O-N 2.9Å; C13-A15 VanDerWaalsContact C-N 3.33Å
16H66.8Low69.3Low145 Ų14578.8 Ų78.867%0.67146%0.457SS*.Hα-helixtrans-89.4-19.6-177.7-100.670.2000114.7L12L12-H16 PolarHBondContact O-N 2.93Å; L12-H16 VanDerWaalsContact O-N 3.15Å
17H67Low71Confident83 Ų8377.2 Ų77.238%0.38444%0.438SS..  trans-131.168.7-177.4-62.9-64.9000112.7C13 L20 V21C13-H17 PolarHBondContact O-N 3.26Å; H17-L20 HydrophobicContact CB-CB 4.13Å; H17-L20 PolarHBondContact O-N 3.28Å; H17-V21 WeakPolarHBondContact O-CG2 3.28Å; H17-V21 PolarHBondContact O-N 3.45Å
18P71.4Confident72.6Confident83 Ų8378.1 Ų78.154%0.53943%0.43SS..Hα-helixtrans-50.1-40.9-179.916.5-26.9000115.4L20 V21 C22P18-L20 VanDerWaalsContact C-N 3.3Å; P18-L20 PolarHBondContact O-N 2.89Å; P18-V21 PolarHBondContact O-N 3.07Å; P18-C22 PolarHBondContact O-N 2.04Å; P18-C22 PolarHBondContact O-SG 2.82Å; P18-C22 VanDerWaalsContact O-SG 3.36Å
19P79.4Confident74.3Confident97 Ų9777.3 Ų77.363%0.6343%0.43SS*.Hα-helixtrans-67.2-30.9-179.426.5-36.2000113.1C22 A23P19-C22 PolarHBondContact O-N 3.4Å; P19-A23 WeakPolarHBondContact O-CB 3.38Å; P19-A23 PolarHBondContact O-N 2.93Å
20L74.8Confident76.1Confident74 Ų7478.8 Ų78.839%0.38744%0.437SS..Hα-helixtrans-71.6-38.6-178.8-164.6149.2000110.5H17 P18 A23 T24 T223H17-L20 HydrophobicContact CB-CB 4.13Å; H17-L20 PolarHBondContact O-N 3.28Å; P18-L20 VanDerWaalsContact C-N 3.3Å; P18-L20 PolarHBondContact O-N 2.89Å; L20-A23 PolarHBondContact O-N 3.19Å; L20-T24 HydrophobicContact CD2-CG2 4.02Å; L20-T24 WeakPolarHBondContact O-CG2 3.4Å; L20-T24 PolarHBondContact O-N 3.15Å; L20-T24 PolarHBondContact O-OG1 3.18Å; L20-T223 HydrophobicContact CD1-CG2 4.29Å; L20-T223 HydrophobicContact CD2-CG2 4.2Å
21V75.7Confident77.6Confident27 Ų2774.2 Ų74.216%0.16441%0.414CS..Hα-helixtrans-60.7-48.1172.8-174.80000111.5L14 H17 P18 A23 T24 L25L14-V21 HydrophobicContact CB-CG2 3.91Å; L14-V21 HydrophobicContact CD2-CB 3.85Å; L14-V21 HydrophobicContact CD2-CG1 3.43Å; L14-V21 VanDerWaalsContact CD2-CG1 3.43Å; L14-V21 HydrophobicContact CD2-CG2 3.29Å; L14-V21 HydrophobicContact CG-CG2 4.15Å; L14-V21 WeakPolarHBondContact O-CG2 3.41Å; H17-V21 WeakPolarHBondContact O-CG2 3.28Å; H17-V21 PolarHBondContact O-N 3.45Å; P18-V21 PolarHBondContact O-N 3.07Å; V21-A23 VanDerWaalsContact C-N 3.31Å; V21-A23 PolarHBondContact O-N 2.79Å; V21-T24 PolarHBondContact O-N 3.26Å; V21-T24 PolarHBondContact O-OG1 2.79Å; V21-L25 HydrophobicContact CG1-CD1 3.97Å; V21-L25 HydrophobicContact CG1-CG 4.42Å; V21-L25 WeakPolarHBondContact O-CB 3.23Å; V21-L25 WeakPolarHBondContact O-CG 3.44Å; V21-L25 PolarHBondContact O-N 3.35Å
22C82.3Confident79Confident70 Ų7072.5 Ų72.547%0.47341%0.408SS..Hα-helixtrans-61.1-44.2178.6-670000110.6P18 P19 L25 I26P18-C22 PolarHBondContact O-N 2.04Å; P18-C22 PolarHBondContact O-SG 2.82Å; P18-C22 VanDerWaalsContact O-SG 3.36Å; P19-C22 PolarHBondContact O-N 3.4Å; C22-L25 PolarHBondContact O-N 3.06Å; C22-I26 WeakPolarHBondContact O-CB 3.39Å; C22-I26 WeakPolarHBondContact O-CD1 3.37Å; C22-I26 WeakPolarHBondContact O-CG1 3.06Å; C22-I26 PolarHBondContact O-N 2.79Å
23A84.4Confident80.5Confident46 Ų4670.4 Ų70.438%0.3840%0.402SS..Hα-helixtrans-61.7-45.1177.900000112.3P19 L20 V21 I26 L27P19-A23 WeakPolarHBondContact O-CB 3.38Å; P19-A23 PolarHBondContact O-N 2.93Å; L20-A23 PolarHBondContact O-N 3.19Å; V21-A23 VanDerWaalsContact C-N 3.31Å; V21-A23 PolarHBondContact O-N 2.79Å; A23-I26 PolarHBondContact O-N 3.43Å; A23-L27 WeakPolarHBondContact O-CB 3.41Å; A23-L27 VanDerWaalsContact O-CG 3.23Å; A23-L27 WeakPolarHBondContact O-CG 3Å; A23-L27 PolarHBondContact O-N 3.24Å
24T84.4Confident82.1Confident21 Ų2169.9 Ų69.913%0.12940%0.4CS..Hα-helixtrans-66-41.4178.855.40000111.9L20 V21 L27 L28L20-T24 HydrophobicContact CD2-CG2 4.02Å; L20-T24 WeakPolarHBondContact O-CG2 3.4Å; L20-T24 PolarHBondContact O-N 3.15Å; L20-T24 PolarHBondContact O-OG1 3.18Å; V21-T24 PolarHBondContact O-N 3.26Å; V21-T24 PolarHBondContact O-OG1 2.79Å; T24-L27 PolarHBondContact O-N 2.88Å; T24-L28 VanDerWaalsContact O-CB 3.29Å; T24-L28 WeakPolarHBondContact O-CB 3.46Å; T24-L28 PolarHBondContact O-N 3.03Å
25L85.7Confident83.6Confident94 Ų9469.2 Ų69.249%0.49240%0.397SS..Hα-helixtrans-62.8-43.5175.1-72.4174.5000112V21 C22 L28 L29V21-L25 HydrophobicContact CG1-CD1 3.97Å; V21-L25 HydrophobicContact CG1-CG 4.42Å; V21-L25 WeakPolarHBondContact O-CB 3.23Å; V21-L25 WeakPolarHBondContact O-CG 3.44Å; V21-L25 PolarHBondContact O-N 3.35Å; C22-L25 PolarHBondContact O-N 3.06Å; L25-L28 PolarHBondContact O-N 3.05Å; L25-L29 WeakPolarHBondContact O-CB 3.47Å; L25-L29 VanDerWaalsContact O-CG 3.26Å; L25-L29 WeakPolarHBondContact O-CG 3.36Å; L25-L29 PolarHBondContact O-N 3.33Å
26I88.8Confident85Confident110 Ų11068 Ų6856%0.56439%0.392SS*.Hα-helixtrans-62.2-46.6176.9-69.6163.8000110.5C22 A23 L28 L29 L30C22-I26 WeakPolarHBondContact O-CB 3.39Å; C22-I26 WeakPolarHBondContact O-CD1 3.37Å; C22-I26 WeakPolarHBondContact O-CG1 3.06Å; C22-I26 PolarHBondContact O-N 2.79Å; A23-I26 PolarHBondContact O-N 3.43Å; I26-L28 VanDerWaalsContact C-N 3.33Å; I26-L28 PolarHBondContact O-N 2.86Å; I26-L29 PolarHBondContact O-N 3.38Å; I26-L30 VanDerWaalsContact O-CB 3.25Å; I26-L30 WeakPolarHBondContact O-CB 3.05Å; I26-L30 PolarHBondContact O-N 2.9Å
27L90Very high86.1Confident37 Ų3765.5 Ų65.519%0.19438%0.383CS..Hα-helixtrans-63.5-39.6178.7-70.2170.8000111.9A23 T24 G31 L212 F215 C216 L219A23-L27 WeakPolarHBondContact O-CB 3.41Å; A23-L27 VanDerWaalsContact O-CG 3.23Å; A23-L27 WeakPolarHBondContact O-CG 3Å; A23-L27 PolarHBondContact O-N 3.24Å; T24-L27 PolarHBondContact O-N 2.88Å; L27-G31 PolarHBondContact O-N 3.46Å; L27-L212 HydrophobicContact CD2-CD2 3.88Å; L27-F215 HydrophobicContact CD1-CD1 4.18Å; L27-F215 HydrophobicContact CD1-CE1 4.34Å; L27-C216 HydrophobicContact CB-CB 4.38Å; L27-L219 HydrophobicContact CD1-CD1 4.14Å
28L91.6Very high87Confident71 Ų7161.6 Ų61.637%0.37236%0.364SS..Hα-helixtrans-64.6-48.4176.4-173113000111.4T24 L25 I26 G31 L32 L213T24-L28 VanDerWaalsContact O-CB 3.29Å; T24-L28 WeakPolarHBondContact O-CB 3.46Å; T24-L28 PolarHBondContact O-N 3.03Å; L25-L28 PolarHBondContact O-N 3.05Å; I26-L28 VanDerWaalsContact C-N 3.33Å; I26-L28 PolarHBondContact O-N 2.86Å; L28-G31 PolarHBondContact O-N 3.11Å; L28-L32 HydrophobicContact CD2-CD1 3.93Å; L28-L32 HydrophobicContact CG-CD1 4.16Å; L28-L32 WeakPolarHBondContact O-CB 3.16Å; L28-L32 VanDerWaalsContact O-CG 3.29Å; L28-L32 WeakPolarHBondContact O-CG 3.37Å; L28-L32 PolarHBondContact O-N 3.33Å; L28-L213 HydrophobicContact CD1-CD2 4.35Å; L28-L213 HydrophobicContact CG-CD2 4.38Å
29L93.5Very high87.7Confident114 Ų11460.4 Ų60.460%0.59736%0.358SS*.Hα-helixtrans-62.4-43.5177.4-71.3172.3000111.5L25 I26 L32 S33L25-L29 WeakPolarHBondContact O-CB 3.47Å; L25-L29 VanDerWaalsContact O-CG 3.26Å; L25-L29 WeakPolarHBondContact O-CG 3.36Å; L25-L29 PolarHBondContact O-N 3.33Å; I26-L29 PolarHBondContact O-N 3.38Å; L29-L32 PolarHBondContact O-N 2.92Å; L29-S33 VanDerWaalsContact O-CB 3.27Å; L29-S33 WeakPolarHBondContact O-CB 3.47Å; L29-S33 PolarHBondContact O-N 3.5Å; L29-S33 PolarHBondContact O-OG 3.45Å
30L93.9Very high88Confident92 Ų9260.6 Ų60.648%0.48235%0.349SS..Hα-helixtrans-63.8-44.4177.4-168.765.2000110.7I26 S33 G34 L212I26-L30 VanDerWaalsContact O-CB 3.25Å; I26-L30 WeakPolarHBondContact O-CB 3.05Å; I26-L30 PolarHBondContact O-N 2.9Å; L30-S33 WeakPolarHBondContact CA-OG 3.29Å; L30-S33 PolarHBondContact O-N 2.83Å; L30-S33 PolarHBondContact O-OG 2.87Å; L30-G34 PolarHBondContact O-N 3.37Å; L30-L212 HydrophobicContact CB-CD1 4.09Å; L30-L212 HydrophobicContact CD2-CD1 3.62Å; L30-L212 HydrophobicContact CG-CD1 3.69Å
31G92.9Very high88.4Confident0 Ų057.8 Ų57.80%034%0.335CS..Hα-helixtrans-60.2-48.8176.300000113.1L27 L28 G34 L35L27-G31 PolarHBondContact O-N 3.46Å; L28-G31 PolarHBondContact O-N 3.11Å; G31-G34 PolarHBondContact O-N 2.89Å; G31-L35 WeakPolarHBondContact O-CG 3.38Å; G31-L35 PolarHBondContact O-N 2.84Å
32L94.2Very high88.6Confident91 Ų9158.6 Ų58.648%0.47634%0.338SS..Hα-helixtrans-63.9-40176.8-70.7174000112.4L28 L29 L35 G36 L213L28-L32 HydrophobicContact CD2-CD1 3.93Å; L28-L32 HydrophobicContact CG-CD1 4.16Å; L28-L32 WeakPolarHBondContact O-CB 3.16Å; L28-L32 VanDerWaalsContact O-CG 3.29Å; L28-L32 WeakPolarHBondContact O-CG 3.37Å; L28-L32 PolarHBondContact O-N 3.33Å; L29-L32 PolarHBondContact O-N 2.92Å; L32-L35 PolarHBondContact O-N 3.31Å; L32-G36 PolarHBondContact O-N 3.18Å; L32-L213 HydrophobicContact CD2-CD1 4.37Å; L32-L213 HydrophobicContact CD2-CD2 4.47Å; L32-L213 HydrophobicContact CG-CD2 4.31Å
33S93.7Very high88.5Confident65 Ų6560 Ų6046%0.45535%0.345SS..Hα-helixtrans-64.6-41.3176.5730000111.8L29 L30 G36 L37L29-S33 VanDerWaalsContact O-CB 3.27Å; L29-S33 WeakPolarHBondContact O-CB 3.47Å; L29-S33 PolarHBondContact O-N 3.5Å; L29-S33 PolarHBondContact O-OG 3.45Å; L30-S33 WeakPolarHBondContact CA-OG 3.29Å; L30-S33 PolarHBondContact O-N 2.83Å; L30-S33 PolarHBondContact O-OG 2.87Å; S33-G36 PolarHBondContact O-N 3.43Å; S33-L37 VanDerWaalsContact O-CB 3.24Å; S33-L37 WeakPolarHBondContact O-CB 3.46Å; S33-L37 PolarHBondContact O-N 3.08Å
34G91Very high87.7Confident9 Ų962.2 Ų62.29%0.09335%0.347CS..Hα-helixtrans-64.6-41.7175.200000112.4L30 G31 G38L30-G34 PolarHBondContact O-N 3.37Å; G31-G34 PolarHBondContact O-N 2.89Å; G34-G38 WeakPolarHBondContact O-CA 3.46Å; G34-G38 PolarHBondContact O-N 2.93Å
35L92.1Very high86.6Confident56 Ų5667.7 Ų67.729%0.29337%0.365SS..Hα-helixtrans-64.4-47.1174-74.7-172.4000112.3G31 L32 S39 L206 L213G31-L35 WeakPolarHBondContact O-CG 3.38Å; G31-L35 PolarHBondContact O-N 2.84Å; L32-L35 PolarHBondContact O-N 3.31Å; L35-S39 WeakPolarHBondContact O-CB 3.28Å; L35-S39 PolarHBondContact O-N 3.13Å; L35-L206 HydrophobicContact CD2-CD2 3.81Å; L35-L206 WeakPolarHBondContact O-CD2 3.48Å; L35-L213 HydrophobicContact CD1-CD1 3.29Å; L35-L213 HydrophobicContact CG-CD1 4.06Å
36G91.6Very high84.9Confident44 Ų4469.5 Ų69.545%0.45438%0.38SS..Hα-helixtrans-63.2-48.4-179.800000111.9L32 S33 F40L32-G36 PolarHBondContact O-N 3.18Å; S33-G36 PolarHBondContact O-N 3.43Å; G36-F40 VanDerWaalsContact O-CB 3.25Å; G36-F40 WeakPolarHBondContact O-CB 3.31Å; G36-F40 PolarHBondContact O-N 3.04Å
37L88.7Confident83.2Confident92 Ų9266.6 Ų66.648%0.48238%0.377SS..Hα-helixtrans-67.6-44.7178.3-172.266.4000111.5S33 S39 F40 L41 L205S33-L37 VanDerWaalsContact O-CB 3.24Å; S33-L37 WeakPolarHBondContact O-CB 3.46Å; S33-L37 PolarHBondContact O-N 3.08Å; L37-S39 VanDerWaalsContact C-N 3.35Å; L37-S39 PolarHBondContact O-N 3.47Å; L37-F40 PolarHBondContact O-N 3.31Å; L37-L41 HydrophobicContact CG-CD1 4.3Å; L37-L41 WeakPolarHBondContact O-CB 3.25Å; L37-L41 WeakPolarHBondContact O-CG 3.41Å; L37-L41 PolarHBondContact O-N 3.33Å; L37-L205 HydrophobicContact CD2-CD1 3.89Å; L37-L205 HydrophobicContact CD2-CD2 4.5Å; L37-L205 HydrophobicContact CG-CD1 4.09Å
38G87.5Confident81.4Confident0 Ų067.2 Ų67.20%038%0.381CS..Hα-helixtrans-61.1-42.5177.500000112.5G34 L42G34-G38 WeakPolarHBondContact O-CA 3.46Å; G34-G38 PolarHBondContact O-N 2.93Å; G38-L42 WeakPolarHBondContact O-CG 3.44Å; G38-L42 PolarHBondContact O-N 3.09Å; G38-L42 VanDerWaalsContact O-N 3.07Å
39S86.3Confident79.4Confident58 Ų5872 Ų7241%0.40639%0.394SS..Hα-helixtrans-66.5-44.6174.2179.80000111.5L35 L37 L41 L42 T43L35-S39 WeakPolarHBondContact O-CB 3.28Å; L35-S39 PolarHBondContact O-N 3.13Å; L37-S39 VanDerWaalsContact C-N 3.35Å; L37-S39 PolarHBondContact O-N 3.47Å; S39-L41 VanDerWaalsContact C-N 3.32Å; S39-L41 PolarHBondContact O-N 2.83Å; S39-L42 PolarHBondContact O-N 2.75Å; S39-T43 WeakPolarHBondContact O-CB 3.46Å; S39-T43 PolarHBondContact O-N 2.87Å; S39-T43 PolarHBondContact O-OG1 2.93Å
40F85.8Confident77.3Confident101 Ų10167.3 Ų67.344%0.44337%0.37SS..Hα-helixtrans-57.5-46177.2179.1-98.6000111.6G36 L37 T43 H44 L48G36-F40 VanDerWaalsContact O-CB 3.25Å; G36-F40 WeakPolarHBondContact O-CB 3.31Å; G36-F40 PolarHBondContact O-N 3.04Å; L37-F40 PolarHBondContact O-N 3.31Å; F40-T43 PolarHBondContact O-N 2.86Å; F40-H44 AromaticContact CD2-CD2 3.43Å; F40-H44 VanDerWaalsContact CD2-CD2 3.43Å; F40-H44 WeakPolarHBondContact CD2-CD2 3.29Å; F40-H44 AromaticContact CE2-CD2 3.28Å; F40-H44 WeakPolarHBondContact CE2-CD2 3.4Å; F40-H44 AromaticContact CE2-CG 3.94Å; F40-H44 AromaticContact CE2-NE2 3.71Å; F40-H44 HydrophobicContact CZ-CB 4.4Å; F40-H44 AromaticContact CZ-CD2 3.99Å; F40-H44 WeakPolarHBondContact O-CB 3.17Å; F40-H44 PolarHBondContact O-N 2.83Å; F40-L48 HydrophobicContact CD1-CD1 4.1Å; F40-L48 HydrophobicContact CD1-CD2 4.5Å; F40-L48 HydrophobicContact CE1-CD1 3.78Å; F40-L48 HydrophobicContact CE1-CD2 4.07Å; F40-L48 HydrophobicContact CE1-CG 4.12Å
41L82.4Confident75.4Confident16 Ų1668.5 Ų68.58%0.08438%0.384CS..Hα-helixtrans-58.1-50.7175.2-69.2170.6000111L37 S39 T43 H44 R45 L48 L198 L205L37-L41 HydrophobicContact CG-CD1 4.3Å; L37-L41 WeakPolarHBondContact O-CB 3.25Å; L37-L41 WeakPolarHBondContact O-CG 3.41Å; L37-L41 PolarHBondContact O-N 3.33Å; S39-L41 VanDerWaalsContact C-N 3.32Å; S39-L41 PolarHBondContact O-N 2.83Å; L41-T43 PolarHBondContact O-N 2.83Å; L41-H44 CarbonylContact O-C 3.6Å; L41-H44 PolarHBondContact O-N 3.06Å; L41-R45 PolarHBondContact O-N 3.24Å; L41-L48 HydrophobicContact CD2-CD1 3.83Å; L41-L48 HydrophobicContact CD2-CD2 3.39Å; L41-L48 HydrophobicContact CD2-CG 4.15Å; L41-L198 HydrophobicContact CB-CD2 3.91Å; L41-L198 HydrophobicContact CB-CG 4.45Å; L41-L198 HydrophobicContact CD2-CD1 4.33Å; L41-L198 HydrophobicContact CD2-CG 4.3Å; L41-L198 WeakPolarHBondContact O-CD2 3.23Å; L41-L205 HydrophobicContact CD1-CD1 3.52Å
42L80.6Confident73.6Confident43 Ų4374.6 Ų74.623%0.22542%0.417CS..Hα-helixtrans-68.5-32.1-176.6-71.3166.2000113.8G38 S39 R45 A199 L206G38-L42 WeakPolarHBondContact O-CG 3.44Å; G38-L42 PolarHBondContact O-N 3.09Å; G38-L42 VanDerWaalsContact O-N 3.07Å; S39-L42 PolarHBondContact O-N 2.75Å; L42-R45 WeakPolarHBondContact O-CG 3.35Å; L42-A199 HydrophobicContact CD2-CB 4.41Å; L42-L206 HydrophobicContact CD1-CD1 3.31Å; L42-L206 HydrophobicContact CD1-CG 4.03Å
43T79Confident71.6Confident101 Ų10171.5 Ų71.562%0.6240%0.4SS*.Hα-helixtrans-78.7-41.1177.7-52.50000111.4S39 F40 L41 R45S39-T43 WeakPolarHBondContact O-CB 3.46Å; S39-T43 PolarHBondContact O-N 2.87Å; S39-T43 PolarHBondContact O-OG1 2.93Å; F40-T43 PolarHBondContact O-N 2.86Å; L41-T43 PolarHBondContact O-N 2.83Å; T43-R45 VanDerWaalsContact C-N 3.33Å; T43-R45 PolarHBondContact O-N 3.08Å
44H68.2Low70Confident92 Ų9271 Ų7143%0.42640%0.396SS..THydrogen-bonded Turntrans-95.841.5178.7-70.1-84000112.7F40 L41 T46 G47 L48F40-H44 AromaticContact CD2-CD2 3.43Å; F40-H44 VanDerWaalsContact CD2-CD2 3.43Å; F40-H44 WeakPolarHBondContact CD2-CD2 3.29Å; F40-H44 AromaticContact CE2-CD2 3.28Å; F40-H44 WeakPolarHBondContact CE2-CD2 3.4Å; F40-H44 AromaticContact CE2-CG 3.94Å; F40-H44 AromaticContact CE2-NE2 3.71Å; F40-H44 HydrophobicContact CZ-CB 4.4Å; F40-H44 AromaticContact CZ-CD2 3.99Å; F40-H44 WeakPolarHBondContact O-CB 3.17Å; F40-H44 PolarHBondContact O-N 2.83Å; L41-H44 CarbonylContact O-C 3.6Å; L41-H44 PolarHBondContact O-N 3.06Å; H44-T46 PolarHBondContact O-N 2.76Å; H44-G47 PolarHBondContact O-N 3.17Å; H44-L48 HydrophobicContact CB-CD1 3.84Å; H44-L48 WeakPolarHBondContact O-CD1 3.3Å
45R61.7Low68.5Low136 Ų13678.2 Ų78.251%0.51343%0.427SS..THydrogen-bonded Turntrans-50.5-28.1176.9-90.3178.6-178.9160.23114.1L41 L42 T43 L198L41-R45 PolarHBondContact O-N 3.24Å; L42-R45 WeakPolarHBondContact O-CG 3.35Å; T43-R45 VanDerWaalsContact C-N 3.33Å; T43-R45 PolarHBondContact O-N 3.08Å; R45-L198 HydrophobicContact CG-CD2 4.05Å
46T50.3Low67.5Low132 Ų13280.3 Ų80.381%0.8144%0.438SS*.THydrogen-bonded Turntrans-95.3-2.5-17651.70000114.1H44H44-T46 PolarHBondContact O-N 2.76Å
47G52.5Low66.5Low49 Ų4978.2 Ų78.251%0.50542%0.417SS..THydrogen-bonded Turntrans-119.4-11.9-169.500000116.9H44 R49H44-G47 PolarHBondContact O-N 3.17Å; G47-R49 PolarHBondContact O-N 3.09Å
48L52.6Low65.6Low50 Ų5076.7 Ų76.726%0.26241%0.411SS..  trans-90.2111-175.9-82.1113.4000112.1F40 L41 H44 L198F40-L48 HydrophobicContact CD1-CD1 4.1Å; F40-L48 HydrophobicContact CD1-CD2 4.5Å; F40-L48 HydrophobicContact CE1-CD1 3.78Å; F40-L48 HydrophobicContact CE1-CD2 4.07Å; F40-L48 HydrophobicContact CE1-CG 4.12Å; L41-L48 HydrophobicContact CD2-CD1 3.83Å; L41-L48 HydrophobicContact CD2-CD2 3.39Å; L41-L48 HydrophobicContact CD2-CG 4.15Å; H44-L48 HydrophobicContact CB-CD1 3.84Å; H44-L48 WeakPolarHBondContact O-CD1 3.3Å; L48-L198 HydrophobicContact CB-CD1 3.72Å; L48-L198 HydrophobicContact CD1-CD1 4.36Å
49R49.7Very low64.8Low170 Ų17079.1 Ų79.164%0.64243%0.428SS*.BIsolated β-bridgetrans-82129.9-176.4-67.3173.1173.2145.42110.7G47 T190G47-R49 PolarHBondContact O-N 3.09Å; R49-T190 HydrophobicContact CB-CG2 3.88Å; R49-T190 HydrophobicContact CG-CG2 3.93Å
50S48.4Very low64.4Low16 Ų1677 Ų7711%0.11241%0.412CS..  trans-73.6128.6169.5-170.30000109.9D52 K191S50-D52 PolarHBondContact O-N 2.97Å; S50-K191 WeakPolarHBondContact CB-O 3.4Å
51P54Low63.9Low118 Ų11872.4 Ų72.477%0.76639%0.391SS*.SBendtrans-72.6-6.2177.629.4-33.9000113.8I53P51-I53 VanDerWaalsContact C-N 3.3Å; P51-I53 PolarHBondContact O-N 3.2Å
52D54.6Low63.6Low128 Ų12878.6 Ų78.668%0.68441%0.414SS*.  trans-87.754.7-172.2-68.7-28.6000113.9S50S50-D52 PolarHBondContact O-N 2.97Å
53I53.5Low63.3Low26 Ų2677.8 Ų77.813%0.13341%0.412CS..  trans-109.8122.4165.3-68.2151.2000108.9P51 Q55 W57 V58 L189 T190P51-I53 VanDerWaalsContact C-N 3.3Å; P51-I53 PolarHBondContact O-N 3.2Å; I53-Q55 PolarHBondContact O-N 3.03Å; I53-W57 HydrophobicContact CG2-CB 3.58Å; I53-V58 HydrophobicContact CB-CG2 4.36Å; I53-V58 HydrophobicContact CG2-CG2 3.76Å; I53-L189 WeakPolarHBondContact CD1-O 3.45Å; I53-T190 HydrophobicContact CD1-CG2 3.96Å
54P59.8Low63.2Low55 Ų5573 Ų7336%0.35738%0.383SS..  trans-61.1136175.424.8-29.9000108.7D56 W57 S154P54-D56 PolarHBondContact O-N 3.48Å; P54-W57 PolarHBondContact O-N 3.4Å; P54-S154 VanDerWaalsContact CG-OG 3.25Å; P54-S154 WeakPolarHBondContact CG-OG 3.36Å
55Q60Low63.4Low159 Ų15970 Ų7074%0.74338%0.376SS*.Hα-helixtrans-49-25.1-174.8-166.8168.3-57.400113.7I53 V58 S59I53-Q55 PolarHBondContact O-N 3.03Å; Q55-V58 PolarHBondContact O-N 3.49Å; Q55-S59 WeakPolarHBondContact O-CB 3.34Å; Q55-S59 PolarHBondContact O-N 2.73Å; Q55-S59 PolarHBondContact O-OG 2.86Å
56D69.4Low63.8Low101 Ų10171.1 Ų71.154%0.5439%0.387SS..Hα-helixtrans-61.3-45176.2-59.4-10.3000112.7P54 S59 F60 P152P54-D56 PolarHBondContact O-N 3.48Å; D56-S59 PolarHBondContact O-N 3.24Å; D56-F60 VanDerWaalsContact O-CB 3.29Å; D56-F60 WeakPolarHBondContact O-CB 3.49Å; D56-F60 PolarHBondContact O-N 2.75Å; D56-P152 HydrophobicContact CB-CB 4.27Å; D56-P152 HydrophobicContact CB-CG 4.46Å
57W72.5Confident65Low0 Ų065.6 Ų65.60%035%0.353CS..Hα-helixtrans-68.1-41.7177.9-86.6120.1000111.7I53 P54 S59 F60 L61 V86 P152 S154 Q155 P156 P157I53-W57 HydrophobicContact CG2-CB 3.58Å; P54-W57 PolarHBondContact O-N 3.4Å; W57-S59 VanDerWaalsContact C-N 3.26Å; W57-S59 PolarHBondContact O-N 2.8Å; W57-F60 AromaticContact CE3-CD1 3.91Å; W57-F60 HydrophobicContact CE3-CD1 3.91Å; W57-F60 AromaticContact CZ3-CD1 3.7Å; W57-F60 HydrophobicContact CZ3-CD1 3.7Å; W57-F60 AromaticContact CZ3-CE1 3.96Å; W57-F60 HydrophobicContact CZ3-CE1 3.96Å; W57-F60 PolarHBondContact O-N 2.77Å; W57-L61 HydrophobicContact CE3-CD1 4.41Å; W57-L61 HydrophobicContact CE3-CD2 4.4Å; W57-L61 HydrophobicContact CE3-CG 4.25Å; W57-L61 WeakPolarHBondContact O-CB 3.47Å; W57-L61 WeakPolarHBondContact O-CD1 3.49Å; W57-L61 WeakPolarHBondContact O-CG 3.42Å; W57-L61 PolarHBondContact O-N 2.77Å; W57-V86 HydrophobicContact CH2-CB 4.25Å; W57-V86 HydrophobicContact CH2-CG1 3.52Å; W57-V86 HydrophobicContact CZ2-CG1 3.77Å; W57-P152 HydrophobicContact CD2-CB 3.98Å; W57-P152 HydrophobicContact CD2-CG 3.86Å; W57-P152 HydrophobicContact CE3-CG 4.02Å; W57-P152 HydrophobicContact CG-CB 4.29Å; W57-P152 HydrophobicContact CG-CG 4.36Å; W57-P152 HydrophobicContact CH2-CB 4.5Å; W57-P152 HydrophobicContact CH2-CG 4.25Å; W57-P152 HydrophobicContact CZ2-CB 3.91Å; W57-P152 HydrophobicContact CZ2-CG 4.14Å; W57-P152 HydrophobicContact CZ3-CG 4.22Å; W57-S154 PolarHBondContact NE1-O 2.85Å; W57-S154 PolarHBondContact NE1-OG 3.34Å; W57-S154 VanDerWaalsContact NE1-OG 3.09Å; W57-Q155 PolarHBondContact NE1-O 3.07Å; W57-P156 HydrophobicContact CH2-CB 3.99Å; W57-P156 HydrophobicContact CZ2-CB 3.69Å; W57-P157 HydrophobicContact CG-CG 4.46Å
58V68.1Low65.9Low60 Ų6067 Ų6736%0.36435%0.352SS..Hα-helixtrans-59.8-42.4176.6177.90000110.5I53 Q55 R62I53-V58 HydrophobicContact CB-CG2 4.36Å; I53-V58 HydrophobicContact CG2-CG2 3.76Å; Q55-V58 PolarHBondContact O-N 3.49Å; V58-R62 VanDerWaalsContact O-CB 3.28Å; V58-R62 WeakPolarHBondContact O-CB 3.45Å; V58-R62 PolarHBondContact O-N 3.13Å; V58-R62 VanDerWaalsContact O-N 3.11Å
59S71.5Confident66.9Low51 Ų5164.7 Ų64.736%0.35734%0.339SS..Hα-helixtrans-67.9-46.2178.6-56.80000111.6Q55 D56 W57 R62 S63Q55-S59 WeakPolarHBondContact O-CB 3.34Å; Q55-S59 PolarHBondContact O-N 2.73Å; Q55-S59 PolarHBondContact O-OG 2.86Å; D56-S59 PolarHBondContact O-N 3.24Å; W57-S59 VanDerWaalsContact C-N 3.26Å; W57-S59 PolarHBondContact O-N 2.8Å; S59-R62 PolarHBondContact O-N 2.82Å; S59-S63 PolarHBondContact O-N 3.01Å; S59-S63 PolarHBondContact O-OG 3.25Å
60F78Confident67.9Low13 Ų1359.4 Ų59.46%0.05733%0.328CS..Hα-helixtrans-58.8-49177.7179-97.1000112.4D56 W57 R62 S63 F64 M115 F144 L151 P152D56-F60 VanDerWaalsContact O-CB 3.29Å; D56-F60 WeakPolarHBondContact O-CB 3.49Å; D56-F60 PolarHBondContact O-N 2.75Å; W57-F60 AromaticContact CE3-CD1 3.91Å; W57-F60 HydrophobicContact CE3-CD1 3.91Å; W57-F60 AromaticContact CZ3-CD1 3.7Å; W57-F60 HydrophobicContact CZ3-CD1 3.7Å; W57-F60 AromaticContact CZ3-CE1 3.96Å; W57-F60 HydrophobicContact CZ3-CE1 3.96Å; W57-F60 PolarHBondContact O-N 2.77Å; F60-R62 PolarHBondContact O-N 2.61Å; F60-S63 PolarHBondContact O-N 3.18Å; F60-F64 WeakPolarHBondContact O-CB 3.4Å; F60-F64 PolarHBondContact O-N 3.39Å; F60-M115 HydrophobicContact CE2-SD 3.99Å; F60-M115 HydrophobicContact CZ-SD 4.43Å; F60-F144 HydrophobicContact CE1-CD1 4.19Å; F60-F144 HydrophobicContact CE1-CE1 4.05Å; F60-F144 HydrophobicContact CE1-CE2 4.39Å; F60-F144 HydrophobicContact CE1-CG 4.41Å; F60-F144 HydrophobicContact CE1-CZ 4.16Å; F60-F144 AromaticContact CZ-CD1 3.75Å; F60-F144 HydrophobicContact CZ-CD1 3.75Å; F60-F144 AromaticContact CZ-CE1 3.94Å; F60-F144 HydrophobicContact CZ-CE1 3.94Å; F60-F144 HydrophobicContact CZ-CG 4.13Å; F60-F144 HydrophobicContact CZ-CZ 4.49Å; F60-L151 HydrophobicContact CE2-CD2 3.7Å; F60-L151 HydrophobicContact CZ-CD2 3.75Å; F60-P152 HydrophobicContact CB-CG 4.13Å; F60-P152 HydrophobicContact CG-CG 4.27Å
61L75.6Confident68.9Low4 Ų459.8 Ų59.82%0.02133%0.33CS..Hα-helixtrans-71.9-31.5-176.5-64.3168.7000112.8W57 F64 G65 L88 L187 L189W57-L61 HydrophobicContact CE3-CD1 4.41Å; W57-L61 HydrophobicContact CE3-CD2 4.4Å; W57-L61 HydrophobicContact CE3-CG 4.25Å; W57-L61 WeakPolarHBondContact O-CB 3.47Å; W57-L61 WeakPolarHBondContact O-CD1 3.49Å; W57-L61 WeakPolarHBondContact O-CG 3.42Å; W57-L61 PolarHBondContact O-N 2.77Å; L61-F64 PolarHBondContact O-N 3.01Å; L61-G65 PolarHBondContact O-N 2.94Å; L61-L88 HydrophobicContact CD2-CD2 3.73Å; L61-L187 HydrophobicContact CB-CD2 4.07Å; L61-L187 HydrophobicContact CD2-CD2 3.66Å; L61-L187 HydrophobicContact CG-CD2 4.33Å; L61-L189 HydrophobicContact CD1-CB 3.55Å; L61-L189 HydrophobicContact CD1-CD1 3.56Å; L61-L189 HydrophobicContact CD1-CD2 4.4Å; L61-L189 HydrophobicContact CD1-CG 4.02Å; L61-L189 HydrophobicContact CD2-CD1 3.9Å; L61-L189 HydrophobicContact CG-CD1 4.29Å
62R74.8Confident69.4Low146 Ų14659.3 Ų59.355%0.55131%0.313SS*.Hα-helixtrans-61.2-47.5171.6-176.2-175.3-61.7109.5-2.3111V58 S59 F60 F64 G65V58-R62 VanDerWaalsContact O-CB 3.28Å; V58-R62 WeakPolarHBondContact O-CB 3.45Å; V58-R62 PolarHBondContact O-N 3.13Å; V58-R62 VanDerWaalsContact O-N 3.11Å; S59-R62 PolarHBondContact O-N 2.82Å; F60-R62 PolarHBondContact O-N 2.61Å; R62-F64 VanDerWaalsContact C-N 3.32Å; R62-G65 PolarHBondContact O-N 2.97Å
63S74.6Confident69.5Low27 Ų2760 Ų6019%0.18932%0.317CS..Hα-helixtrans-63-41.5175.3-57.80000111.3S59 F60 G65 Q66 M115S59-S63 PolarHBondContact O-N 3.01Å; S59-S63 PolarHBondContact O-OG 3.25Å; F60-S63 PolarHBondContact O-N 3.18Å; S63-G65 PolarHBondContact O-N 3.42Å; S63-Q66 PolarHBondContact O-N 3.2Å; S63-M115 VanDerWaalsContact CB-C 3.43Å; S63-M115 WeakPolarHBondContact CB-O 3.48Å; S63-M115 PolarHBondContact OG-O 3.42Å
64F78.4Confident69.3Low1 Ų160.9 Ų60.90%0.00433%0.332CS..Hα-helixtrans-62.5-40.2178.7-178.5-104.8000113.1F60 L61 R62 Q66 L67 L69 I128 L142 F144 V181 L187F60-F64 WeakPolarHBondContact O-CB 3.4Å; F60-F64 PolarHBondContact O-N 3.39Å; L61-F64 PolarHBondContact O-N 3.01Å; R62-F64 VanDerWaalsContact C-N 3.32Å; F64-Q66 PolarHBondContact O-N 3.07Å; F64-Q66 VanDerWaalsContact O-N 3.13Å; F64-L67 HydrophobicContact CD2-CD1 3.96Å; F64-L67 WeakPolarHBondContact O-CB 2.82Å; F64-L67 PolarHBondContact O-N 2.88Å; F64-L67 VanDerWaalsContact O-N 3.07Å; F64-L69 HydrophobicContact CE2-CD1 4.27Å; F64-L69 HydrophobicContact CE2-CD2 4.41Å; F64-L69 HydrophobicContact CZ-CD1 4.17Å; F64-I128 HydrophobicContact CE2-CD1 3.92Å; F64-I128 HydrophobicContact CE2-CG1 4.49Å; F64-I128 HydrophobicContact CE2-CG2 4.37Å; F64-L142 HydrophobicContact CE1-CD1 3.76Å; F64-L142 HydrophobicContact CZ-CD1 3.82Å; F64-F144 HydrophobicContact CD1-CZ 4.43Å; F64-F144 AromaticContact CD2-CE1 3.68Å; F64-F144 HydrophobicContact CD2-CE1 3.68Å; F64-F144 HydrophobicContact CD2-CZ 4.08Å; F64-F144 HydrophobicContact CE1-CZ 4.18Å; F64-F144 AromaticContact CE2-CE1 3.51Å; F64-F144 HydrophobicContact CE2-CE1 3.51Å; F64-F144 AromaticContact CE2-CZ 3.83Å; F64-F144 HydrophobicContact CE2-CZ 3.83Å; F64-F144 HydrophobicContact CG-CE1 4.36Å; F64-F144 HydrophobicContact CG-CZ 4.38Å; F64-F144 HydrophobicContact CZ-CE1 4.05Å; F64-F144 AromaticContact CZ-CZ 3.88Å; F64-F144 HydrophobicContact CZ-CZ 3.88Å; F64-V181 HydrophobicContact CD1-CG1 4.03Å; F64-V181 HydrophobicContact CE1-CB 4.45Å; F64-V181 HydrophobicContact CE1-CG1 3.62Å; F64-V181 HydrophobicContact CE1-CG2 4.23Å; F64-V181 HydrophobicContact CZ-CG1 4.26Å; F64-V181 HydrophobicContact CZ-CG2 4.03Å; F64-L187 HydrophobicContact CD1-CD1 4.18Å; F64-L187 HydrophobicContact CD1-CD2 4.03Å; F64-L187 HydrophobicContact CE1-CD1 4.34Å
65G71.5Confident68.6Low28 Ų2863.7 Ų63.729%0.28935%0.348SS..THydrogen-bonded Turntrans-69.3-1.9177.200000115L61 R62 S63L61-G65 PolarHBondContact O-N 2.94Å; R62-G65 PolarHBondContact O-N 2.97Å; S63-G65 PolarHBondContact O-N 3.42Å
66Q71Confident68Low159 Ų15957.9 Ų57.974%0.74332%0.324SS*.THydrogen-bonded Turntrans-105.50.6172.6-66.1-179.3-21.400112.4S63 F64S63-Q66 PolarHBondContact O-N 3.2Å; F64-Q66 PolarHBondContact O-N 3.07Å; F64-Q66 VanDerWaalsContact O-N 3.13Å
67L73.7Confident66.7Low17 Ų1759.7 Ų59.79%0.08934%0.338CS..  trans-88.9145.6-176.6-68.4172.5000112.7F64 L69 V110 Q114 M115 V181F64-L67 HydrophobicContact CD2-CD1 3.96Å; F64-L67 WeakPolarHBondContact O-CB 2.82Å; F64-L67 PolarHBondContact O-N 2.88Å; F64-L67 VanDerWaalsContact O-N 3.07Å; L67-L69 HydrophobicContact CB-CD2 4.46Å; L67-V110 HydrophobicContact CD1-CG1 3.83Å; L67-V110 HydrophobicContact CD1-CG2 4.48Å; L67-V110 HydrophobicContact CD2-CG1 4.03Å; L67-Q114 HydrophobicContact CD2-CB 3.76Å; L67-Q114 WeakPolarHBondContact CD2-O 3.22Å; L67-M115 HydrophobicContact CD1-CE 4.41Å; L67-M115 HydrophobicContact CD1-CG 4.03Å; L67-V181 PolarHBondContact O-N 3.29Å
68T71.2Confident65.5Low79 Ų7961.9 Ų61.949%0.48536%0.361SS..EExtended strand (participates in β ladder)trans-102.5119.5163.2-44.20000108.3C178T68-C178 HydrophobicContact CG2-CB 3.49Å; T68-C178 VanDerWaalsContact CG2-CB 3.49Å
69L73.8Confident64.8Low0 Ų069 Ų690%039%0.387CS..EExtended strand (participates in β ladder)trans-91.1109.8-179.3-59.1179.8000109.5F64 L67 F106 A108 V110 I128 C178 V179 V181F64-L69 HydrophobicContact CE2-CD1 4.27Å; F64-L69 HydrophobicContact CE2-CD2 4.41Å; F64-L69 HydrophobicContact CZ-CD1 4.17Å; L67-L69 HydrophobicContact CB-CD2 4.46Å; L69-F106 HydrophobicContact CB-CE1 3.73Å; L69-F106 HydrophobicContact CB-CZ 3.7Å; L69-F106 HydrophobicContact CD1-CE1 3.94Å; L69-F106 HydrophobicContact CG-CE1 4.47Å; L69-A108 HydrophobicContact CB-CB 3.92Å; L69-A108 HydrophobicContact CD2-CB 4.18Å; L69-V110 HydrophobicContact CD2-CG2 3.73Å; L69-I128 HydrophobicContact CD1-CG2 4.3Å; L69-I128 HydrophobicContact CD2-CD1 3.52Å; L69-C178 CarbonylContact O-C 3.55Å; L69-C178 WeakPolarHBondContact O-CA 3.47Å; L69-V179 PolarHBondContact N-O 3.31Å; L69-V179 PolarHBondContact O-N 3.28Å; L69-V181 HydrophobicContact CD1-CG2 3.54Å; L69-V181 HydrophobicContact CG-CG2 3.74Å
70C71.9Confident64.4Low59 Ų5970 Ų7040%0.39938%0.383SS..  trans-91.9135.5173.8-59.40000110.3A108 C178C70-A108 WeakPolarHBondContact O-CB 3.35Å; C70-C178 HydrophobicContact CB-CB 4Å; C70-C178 WeakPolarHBondContact CB-SG 2.94Å; C70-C178 WeakPolarHBondContact SG-CB 3.25Å; C70-C178 CovalentContact SG-SG 2.04Å; C70-C178 PolarHBondContact SG-SG 2.96Å
71P68.3Low63.6Low25 Ų2580.4 Ų80.416%0.16242%0.422CS..  trans-61.3140.7175.325.4-31.9000110N73 F106 G175P71-N73 PolarHBondContact O-N 2.84Å; P71-F106 HydrophobicContact CB-CE2 4.24Å; P71-G175 WeakPolarHBondContact CG-O 3.21Å
72R65.1Low63Low107 Ų10780.8 Ų80.840%0.40443%0.427SS..  trans-72.8112178.7-174.9168.6-179.4167.9-2.6110.1G74 V76R72-G74 VanDerWaalsContact C-N 3.27Å; R72-G74 PolarHBondContact O-N 3.26Å; R72-V76 VanDerWaalsContact NH1-CG2 3.27Å
73N56.8Low62.7Low143 Ų14378.2 Ų78.277%0.76543%0.431SS*.SBendtrans-70.383.6167.3-76-8000109.5P71P71-N73 PolarHBondContact O-N 2.84Å
74G49.8Very low62.9Low44 Ų4479.8 Ų79.845%0.45444%0.435SS..SBendtrans151.7138.4172.200000113.7R72 V76R72-G74 VanDerWaalsContact C-N 3.27Å; R72-G74 PolarHBondContact O-N 3.26Å; G74-V76 PolarHBondContact O-N 2.04Å
75T44.5Very low62.9Low114 Ų11483 Ų8370%0.69946%0.455SS*.  trans-60.6118.7166.436.60000109.2T77T75-T77 VanDerWaalsContact C-N 3.27Å; T75-T77 PolarHBondContact O-N 3.48Å
76V47.8Very low63.3Low38 Ų3882.2 Ų82.223%0.2344%0.444CS..  trans-75.386.6171.4-1660000107.7R72 G74 G78R72-V76 VanDerWaalsContact NH1-CG2 3.27Å; G74-V76 PolarHBondContact O-N 2.04Å; V76-G78 PolarHBondContact O-N 2.88Å
77T42Very low63.7Low138 Ų13875.2 Ų75.285%0.84742%0.415SS*.  trans-79.112.9172.947.30000112.8T75T75-T77 VanDerWaalsContact C-N 3.27Å; T75-T77 PolarHBondContact O-N 3.48Å
78G48Very low63.9Low46 Ų4674.4 Ų74.447%0.47441%0.411SS..SBendtrans-109.4133.9178.200000112.2V76 W80V76-G78 PolarHBondContact O-N 2.88Å; G78-W80 PolarHBondContact O-N 2.75Å
79K51.7Low64.1Low210 Ų21073.8 Ų73.891%0.91340%0.404SS*.  trans-53.5107.9169.5-165.2175.6-175178.30108.5R81K79-R81 PolarHBondContact O-N 3.42Å
80W64.3Low63.9Low73 Ų7374.7 Ų74.728%0.27741%0.409SS..  trans-58.7129.2179.4179-106.4000109.4G78 G82 T109 L125 L127 S145G78-W80 PolarHBondContact O-N 2.75Å; W80-G82 VanDerWaalsContact C-N 3.34Å; W80-G82 VanDerWaalsContact CD1-N 3.29Å; W80-T109 HydrophobicContact CZ3-CG2 4.43Å; W80-L125 HydrophobicContact CH2-CB 3.75Å; W80-L125 HydrophobicContact CZ3-CB 4.4Å; W80-L127 HydrophobicContact CD2-CB 3.93Å; W80-L127 HydrophobicContact CD2-CD2 3.95Å; W80-L127 VanDerWaalsContact CE2-CB 3.43Å; W80-L127 HydrophobicContact CE3-CB 4.25Å; W80-L127 HydrophobicContact CE3-CD2 4.42Å; W80-L127 HydrophobicContact CG-CD2 3.99Å; W80-L127 HydrophobicContact CH2-CB 3.72Å; W80-L127 HydrophobicContact CZ2-CB 3.36Å; W80-L127 VanDerWaalsContact CZ2-N 3.3Å; W80-L127 HydrophobicContact CZ3-CB 4.15Å; W80-S145 VanDerWaalsContact CZ2-O 3.28Å; W80-S145 WeakPolarHBondContact CZ2-O 3.38Å; W80-S145 PolarHBondContact NE1-O 3.21Å; W80-S145 PolarHBondContact NE1-OG 3.48Å
81R60.5Low63.4Low231 Ų23177.7 Ų77.787%0.87243%0.426SS*.  trans-83.3-7.5-173.4-103.1-171.8-98.3-154.3-4113.9K79 S83K79-R81 PolarHBondContact O-N 3.42Å; R81-S83 PolarHBondContact O-N 3.3Å; R81-S83 VanDerWaalsContact O-N 3.15Å
82G62.9Low63.1Low11 Ų1177.7 Ų77.711%0.11343%0.425CS..  trans-73.7104.4177.500000111W80 S145 A146W80-G82 VanDerWaalsContact C-N 3.34Å; W80-G82 VanDerWaalsContact CD1-N 3.29Å; G82-S145 PolarHBondContact O-OG 2.89Å; G82-S145 VanDerWaalsContact O-OG 3.05Å; G82-A146 CarbonylContact C-O 3.56Å; G82-A146 VanDerWaalsContact CA-C 3.45Å; G82-A146 WeakPolarHBondContact CA-O 3.42Å
83S69.9Low62.7Low92 Ų9278.6 Ų78.664%0.64344%0.438SS*.  trans-81.4-18.6174.755.10000112.9R81 P148R81-S83 PolarHBondContact O-N 3.3Å; R81-S83 VanDerWaalsContact O-N 3.15Å; S83-P148 WeakPolarHBondContact OG-CD 3.42Å; S83-P148 WeakPolarHBondContact OG-CG 3.27Å
84H77.5Confident62.8Low60 Ų6073 Ų7328%0.27841%0.406SS..EExtended strand (participates in β ladder)trans-98.7115.7-179.1-166-92.5000110V86 S145 A146 P148H84-V86 VanDerWaalsContact CE1-CG2 3.44Å; H84-V86 WeakPolarHBondContact CE1-CG2 3.1Å; H84-S145 WeakPolarHBondContact O-CA 3.26Å; H84-A146 PolarHBondContact N-O 3.37Å; H84-A146 PolarHBondContact O-N 3.43Å; H84-P148 HydrophobicContact CB-CG 4.46Å
85V78.2Confident63Low70 Ų7073.6 Ų73.642%0.42441%0.413SS..EExtended strand (participates in β ladder)trans-116129.9-179.8-176.80000109.3Y143 F144 A165V85-Y143 HydrophobicContact CG1-CD1 4.17Å; V85-F144 CarbonylContact C-O 3.54Å; V85-F144 VanDerWaalsContact CA-O 3.29Å; V85-F144 WeakPolarHBondContact CA-O 3.03Å; V85-A165 HydrophobicContact CG1-CB 4.41Å
86V79.7Confident63Low10 Ų1075.8 Ų75.86%0.06142%0.42CS..EExtended strand (participates in β ladder)trans-122.4124.3172.4-171.80000109.7W57 H84 Y143 F144 L151 P156W57-V86 HydrophobicContact CH2-CB 4.25Å; W57-V86 HydrophobicContact CH2-CG1 3.52Å; W57-V86 HydrophobicContact CZ2-CG1 3.77Å; H84-V86 VanDerWaalsContact CE1-CG2 3.44Å; H84-V86 WeakPolarHBondContact CE1-CG2 3.1Å; V86-Y143 CarbonylContact O-C 3.52Å; V86-Y143 WeakPolarHBondContact O-CA 3.41Å; V86-F144 PolarHBondContact N-O 3.05Å; V86-F144 PolarHBondContact O-N 2.87Å; V86-L151 HydrophobicContact CG2-CB 4.33Å; V86-L151 HydrophobicContact CG2-CD1 4.12Å; V86-P156 HydrophobicContact CG1-CB 3.68Å; V86-P156 HydrophobicContact CG1-CG 3.56Å
87G80.1Confident63.2Low12 Ų1274.9 Ų74.912%0.12442%0.419CS..EExtended strand (participates in β ladder)trans-96.7133.4177.400000111.7L142 P156 S159 C160G87-L142 CarbonylContact C-O 3.57Å; G87-L142 WeakPolarHBondContact CA-O 3.35Å; G87-P156 WeakPolarHBondContact O-CG 3.37Å; G87-S159 WeakPolarHBondContact O-CA 3.28Å; G87-C160 PolarHBondContact O-N 3.31Å
88L78.8Confident63.4Low0 Ų074.7 Ų74.70%042%0.42CS..EExtended strand (participates in β ladder)trans-129.9119-176.4-16172.5000110.7L61 L142 F144 P156 I158 C160 L189L61-L88 HydrophobicContact CD2-CD2 3.73Å; L88-L142 HydrophobicContact CB-CB 4.31Å; L88-L142 PolarHBondContact N-O 3.11Å; L88-L142 PolarHBondContact O-N 2.81Å; L88-F144 HydrophobicContact CB-CE2 3.99Å; L88-F144 HydrophobicContact CD2-CE2 4.11Å; L88-P156 HydrophobicContact CD1-CB 3.84Å; L88-I158 WeakPolarHBondContact CA-O 3.23Å; L88-C160 VanDerWaalsContact C-SG 3.53Å; L88-L189 HydrophobicContact CD1-CD2 3.07Å; L88-L189 HydrophobicContact CD1-CG 4.46Å; L88-L189 HydrophobicContact CD2-CD1 3.78Å; L88-L189 HydrophobicContact CD2-CD2 3.65Å; L88-L189 HydrophobicContact CD2-CG 4.38Å; L88-L189 HydrophobicContact CG-CD1 4.47Å; L88-L189 HydrophobicContact CG-CD2 3.47Å; L88-L189 VanDerWaalsContact CG-CD2 3.47Å
89L74.4Confident63.7Low67 Ų6776.4 Ų76.435%0.35142%0.418SS..EExtended strand (participates in β ladder)trans-78.6130.2174.1-169.368.8000110.2I158L89-I158 HydrophobicContact CB-CB 4.14Å; L89-I158 HydrophobicContact CB-CG2 3.56Å; L89-I158 HydrophobicContact CD2-CG2 3.92Å; L89-I158 HydrophobicContact CG-CG2 4.36Å; L89-I158 PolarHBondContact N-O 2.91Å
90T68.8Low63.7Low18 Ų1876.2 Ų76.211%0.1141%0.412CS..EExtended strand (participates in β ladder)trans-138.2160.6179.1-174.20000111.7L92 T140 L142T90-L92 VanDerWaalsContact C-N 3.32Å; T90-L92 HydrophobicContact CG2-CB 3.92Å; T90-L92 HydrophobicContact CG2-CD1 3.93Å; T90-L92 HydrophobicContact CG2-CG 3.93Å; T90-T140 HydrophobicContact CG2-CG2 4.41Å; T90-T140 VanDerWaalsContact CG2-O 3.25Å; T90-T140 WeakPolarHBondContact CG2-O 3.46Å; T90-T140 PolarHBondContact N-O 3.26Å; T90-T140 PolarHBondContact O-N 3.42Å; T90-T140 VanDerWaalsContact O-O 3.13Å; T90-L142 HydrophobicContact CG2-CD1 3.64Å; T90-L142 HydrophobicContact CG2-CG 3.69Å
91T62.5Low63.1Low123 Ų12380.1 Ų80.176%0.75544%0.438SS*.  trans-90.29.2177.553.50000113.1N93T91-N93 PolarHBondContact O-N 2.98Å
92L61.5Low62.9Low25 Ų2576 Ų7613%0.13143%0.426CS..  trans-63120.9178.4-67.4173.9000110.8T90 F94 T140 L142 V181T90-L92 VanDerWaalsContact C-N 3.32Å; T90-L92 HydrophobicContact CG2-CB 3.92Å; T90-L92 HydrophobicContact CG2-CD1 3.93Å; T90-L92 HydrophobicContact CG2-CG 3.93Å; L92-F94 HydrophobicContact CB-CD2 4.32Å; L92-F94 HydrophobicContact CB-CE2 3.68Å; L92-F94 HydrophobicContact CB-CZ 4.2Å; L92-F94 HydrophobicContact CD1-CE2 4.24Å; L92-F94 HydrophobicContact CD1-CZ 4.08Å; L92-T140 WeakPolarHBondContact O-CB 3.25Å; L92-T140 PolarHBondContact O-OG1 2.85Å; L92-L142 HydrophobicContact CD1-CD1 4.03Å; L92-V181 HydrophobicContact CD1-CG1 4.13Å
93N57.8Low62.8Low126 Ų12679.1 Ų79.167%0.67444%0.444SS*.  trans-94113.6172.6-98.3-36.6000110.2T91 G95T91-N93 PolarHBondContact O-N 2.98Å; N93-G95 VanDerWaalsContact C-N 3.35Å; N93-G95 PolarHBondContact O-N 2.95Å
94F58.9Low62.6Low24 Ų2477.6 Ų77.611%0.10542%0.424CS..  trans-90.272.7174.5-66.5-89.6000110.3L92 F106 A130 V132 T140 L142 V179L92-F94 HydrophobicContact CB-CD2 4.32Å; L92-F94 HydrophobicContact CB-CE2 3.68Å; L92-F94 HydrophobicContact CB-CZ 4.2Å; L92-F94 HydrophobicContact CD1-CE2 4.24Å; L92-F94 HydrophobicContact CD1-CZ 4.08Å; F94-F106 HydrophobicContact CE1-CD1 4.21Å; F94-A130 HydrophobicContact CD2-CB 4.21Å; F94-A130 HydrophobicContact CE2-CB 3.71Å; F94-A130 HydrophobicContact CZ-CB 3.94Å; F94-V132 HydrophobicContact CB-CG2 4.31Å; F94-V132 HydrophobicContact CD2-CG2 4.44Å; F94-T140 HydrophobicContact CD2-CG2 3.8Å; F94-T140 HydrophobicContact CE2-CG2 3.67Å; F94-L142 HydrophobicContact CZ-CD2 4.43Å; F94-V179 HydrophobicContact CD1-CG1 4.47Å; F94-V179 HydrophobicContact CE1-CG1 4.18Å
95G52.3Low62.2Low57 Ų5775.7 Ų75.759%0.58842%0.416SS*.  trans92.2127.9162.400000117.4N93 G97N93-G95 VanDerWaalsContact C-N 3.35Å; N93-G95 PolarHBondContact O-N 2.95Å; G95-G97 PolarHBondContact O-N 2.87Å
96D46.4Very low62Low160 Ų16072.8 Ų72.886%0.85640%0.398SS*.  trans-77.355.4172.5-86.6-42.5000112.7
97G49.9Very low61.9Low20 Ų2074.1 Ų74.121%0.20640%0.404CS..  trans-91.3151.7179.800000113.6G95 D99G95-G97 PolarHBondContact O-N 2.87Å; G97-D99 PolarHBondContact O-N 3.23Å
98P48.1Very low61.8Low134 Ų13473.6 Ų73.687%0.8740%0.398SS*.SBendtrans-62.9-7.6-178.324-33.2000115.2R100P98-R100 PolarHBondContact O-N 2.89Å
99D52.8Low62Low81 Ų8175.9 Ų75.943%0.43341%0.412SS..  trans-92.754.1177-55.5-60.4000113.1G97 N101 K102 R104G97-D99 PolarHBondContact O-N 3.23Å; D99-N101 PolarHBondContact O-N 2.87Å; D99-K102 PolarHBondContact O-N 3.33Å; D99-R104 IonicContact OD2-NH2 3.39Å; D99-R104 PolarHBondContact OD2-NH2 3.42Å
100R52.8Low62.5Low206 Ų20673 Ų7378%0.77740%0.397SS*.THydrogen-bonded Turntrans-57.8-19.5176-84.3-174.2164.7-168.8-3.6114.2P98P98-R100 PolarHBondContact O-N 2.89Å
101N51.9Low63.2Low156 Ų15675 Ų7583%0.83441%0.407SS*.THydrogen-bonded Turntrans-92.15.2-173.3-70.1-3000114.5D99D99-N101 PolarHBondContact O-N 2.87Å
102K56.5Low64.2Low143 Ų14369.1 Ų69.162%0.62237%0.371SS*.SBendtrans-115.4132.3178.7-68.9-179-179.2169.20110.4D99 R104D99-K102 PolarHBondContact O-N 3.33Å; K102-R104 PolarHBondContact O-N 3.08Å
103T60.7Low65.2Low77 Ų7770.9 Ų70.947%0.47239%0.385SS..  trans-60.2119.416745.40000108.2
104R65.1Low66.3Low61 Ų6170.4 Ų70.423%0.2338%0.379CS..EExtended strand (participates in β ladder)trans-100.7130.2178.3-71.2-176176.2-170-8.1109D99 K102 V132 M174D99-R104 IonicContact OD2-NH2 3.39Å; D99-R104 PolarHBondContact OD2-NH2 3.42Å; K102-R104 PolarHBondContact O-N 3.08Å; R104-V132 HydrophobicContact CB-CG2 4.4Å; R104-V132 PolarHBondContact O-N 2.93Å; R104-M174 HydrophobicContact CB-CE 4.16Å; R104-M174 HydrophobicContact CG-CE 4.49Å
105T69.7Low67.1Low19 Ų1969.4 Ų69.412%0.11738%0.375CS..EExtended strand (participates in β ladder)trans-112123174.651.50000108.9A130 R131 A168T105-A130 CarbonylContact C-O 3.55Å; T105-A130 VanDerWaalsContact CA-O 3.3Å; T105-A130 WeakPolarHBondContact CA-O 3.41Å; T105-R131 HydrophobicContact CG2-CG 4.3Å; T105-A168 HydrophobicContact CG2-CB 4.34Å
106F72.7Confident68.3Low9 Ų969 Ų694%0.03937%0.37CS..EExtended strand (participates in β ladder)trans-111.2133.8172.8168.3-92.8000108.2L69 P71 F94 A108 T129 A130L69-F106 HydrophobicContact CB-CE1 3.73Å; L69-F106 HydrophobicContact CB-CZ 3.7Å; L69-F106 HydrophobicContact CD1-CE1 3.94Å; L69-F106 HydrophobicContact CG-CE1 4.47Å; P71-F106 HydrophobicContact CB-CE2 4.24Å; F94-F106 HydrophobicContact CE1-CD1 4.21Å; F106-A108 HydrophobicContact CE1-CB 3.78Å; F106-A108 HydrophobicContact CZ-CB 3.94Å; F106-T129 CarbonylContact O-C 3.27Å; F106-T129 WeakPolarHBondContact O-CA 3.28Å; F106-A130 HydrophobicContact CB-CB 4.11Å; F106-A130 HydrophobicContact CD1-CB 4.19Å; F106-A130 PolarHBondContact N-O 3.37Å; F106-A130 PolarHBondContact O-N 3.24Å
107Q77.3Confident69.8Low39 Ų3963.2 Ų63.218%0.18234%0.339CS..EExtended strand (participates in β ladder)trans-128.5131.4178.7-69-173.911.100111I128 T129 L170Q107-I128 VanDerWaalsContact CA-O 3.31Å; Q107-I128 WeakPolarHBondContact CA-O 3.36Å; Q107-T129 HydrophobicContact CG-CG2 4.03Å; Q107-L170 VanDerWaalsContact OE1-CD2 3.27Å
108A79.8Confident71.3Confident1 Ų171.2 Ų71.21%0.00837%0.368CS..EExtended strand (participates in β ladder)trans-134.6149174.600000109.9L69 C70 F106 I128L69-A108 HydrophobicContact CB-CB 3.92Å; L69-A108 HydrophobicContact CD2-CB 4.18Å; C70-A108 WeakPolarHBondContact O-CB 3.35Å; F106-A108 HydrophobicContact CE1-CB 3.78Å; F106-A108 HydrophobicContact CZ-CB 3.94Å; A108-I128 PolarHBondContact N-O 2.75Å; A108-I128 PolarHBondContact O-N 3.4Å
109T82.2Confident72.9Confident47 Ų4768 Ų6829%0.28836%0.359SS..EExtended strand (participates in β ladder)trans-116.2129172.848.20000109.4W80 L127W80-T109 HydrophobicContact CZ3-CG2 4.43Å; T109-L127 HydrophobicContact CG2-CD1 3.81Å
110V84Confident74.3Confident6 Ų669.4 Ų69.44%0.03638%0.375CS..EExtended strand (participates in β ladder)trans-126.4143.6-176.81710000108.9L67 L69 Q114 M115 V126 I128L67-V110 HydrophobicContact CD1-CG1 3.83Å; L67-V110 HydrophobicContact CD1-CG2 4.48Å; L67-V110 HydrophobicContact CD2-CG1 4.03Å; L69-V110 HydrophobicContact CD2-CG2 3.73Å; V110-Q114 HydrophobicContact CG1-CB 3.81Å; V110-M115 HydrophobicContact CB-CE 3.55Å; V110-M115 HydrophobicContact CG1-CE 3.54Å; V110-M115 HydrophobicContact CG1-CG 3.91Å; V110-M115 HydrophobicContact CG2-CE 4.46Å; V110-V126 PolarHBondContact N-O 3.46Å; V110-V126 PolarHBondContact O-N 2.86Å; V110-I128 HydrophobicContact CB-CD1 4.09Å; V110-I128 HydrophobicContact CG2-CD1 3.68Å
111L85.4Confident75.6Confident61 Ų6161.1 Ų61.132%0.31935%0.349SS..EExtended strand (participates in β ladder)trans-80.3142.7177.4-160.970.9000110.4S113 Q114 M115 L125L111-S113 WeakPolarHBondContact CD2-OG 3.23Å; L111-S113 PolarHBondContact O-N 3.46Å; L111-S113 VanDerWaalsContact O-N 3.16Å; L111-Q114 HydrophobicContact CB-CG 4.27Å; L111-Q114 WeakPolarHBondContact O-CA 3.08Å; L111-Q114 VanDerWaalsContact O-CB 3.31Å; L111-Q114 WeakPolarHBondContact O-CB 3.24Å; L111-Q114 PolarHBondContact O-N 2.86Å; L111-M115 PolarHBondContact O-N 2.9Å; L111-L125 HydrophobicContact CD1-CD2 3.78Å; L111-L125 HydrophobicContact CD1-CG 4.35Å
112G82.5Confident76.9Confident0 Ų054.8 Ų54.80%032%0.318CS..THydrogen-bonded Turntrans-55.1-35.7-179.100000113.5Q114 M115 G116 L117 A122 Q124G112-Q114 PolarHBondContact O-N 2.86Å; G112-M115 CarbonylContact O-C 3.47Å; G112-M115 WeakPolarHBondContact O-CA 3.46Å; G112-M115 WeakPolarHBondContact O-CB 3.35Å; G112-M115 PolarHBondContact O-N 2.9Å; G112-G116 PolarHBondContact O-N 3.39Å; G112-L117 VanDerWaalsContact O-CB 3.23Å; G112-L117 WeakPolarHBondContact O-CB 3.25Å; G112-L117 WeakPolarHBondContact O-CG 3.47Å; G112-L117 PolarHBondContact O-N 3.28Å; G112-A122 CarbonylContact C-O 3.59Å; G112-Q124 PolarHBondContact N-O 2.99Å
113S81.9Confident78.2Confident62 Ų6250.7 Ų50.743%0.43432%0.317SS..THydrogen-bonded Turntrans-60.6-33.3175.166.80000113L111 M115 G116 A122L111-S113 WeakPolarHBondContact CD2-OG 3.23Å; L111-S113 PolarHBondContact O-N 3.46Å; L111-S113 VanDerWaalsContact O-N 3.16Å; S113-M115 VanDerWaalsContact C-N 3.29Å; S113-G116 PolarHBondContact O-N 3.27Å; S113-A122 PolarHBondContact N-O 3.39Å
114Q81.4Confident79.4Confident115 Ų11550.7 Ų50.754%0.53731%0.311SS..THydrogen-bonded Turntrans-73.5-26.1176-60.5174.4-28.400111L67 V110 L111 G112 G116L67-Q114 HydrophobicContact CD2-CB 3.76Å; L67-Q114 WeakPolarHBondContact CD2-O 3.22Å; V110-Q114 HydrophobicContact CG1-CB 3.81Å; L111-Q114 HydrophobicContact CB-CG 4.27Å; L111-Q114 WeakPolarHBondContact O-CA 3.08Å; L111-Q114 VanDerWaalsContact O-CB 3.31Å; L111-Q114 WeakPolarHBondContact O-CB 3.24Å; L111-Q114 PolarHBondContact O-N 2.86Å; G112-Q114 PolarHBondContact O-N 2.86Å; Q114-G116 PolarHBondContact O-N 3.5Å
115M76.7Confident80.3Confident3 Ų351.9 Ų51.92%0.01532%0.322CS..THydrogen-bonded Turntrans-82.88.8170.9-62.3-170.4-173.600113.4F60 S63 L67 V110 L111 G112 S113 L117 V126 I128F60-M115 HydrophobicContact CE2-SD 3.99Å; F60-M115 HydrophobicContact CZ-SD 4.43Å; S63-M115 VanDerWaalsContact CB-C 3.43Å; S63-M115 WeakPolarHBondContact CB-O 3.48Å; S63-M115 PolarHBondContact OG-O 3.42Å; L67-M115 HydrophobicContact CD1-CE 4.41Å; L67-M115 HydrophobicContact CD1-CG 4.03Å; V110-M115 HydrophobicContact CB-CE 3.55Å; V110-M115 HydrophobicContact CG1-CE 3.54Å; V110-M115 HydrophobicContact CG1-CG 3.91Å; V110-M115 HydrophobicContact CG2-CE 4.46Å; L111-M115 PolarHBondContact O-N 2.9Å; G112-M115 CarbonylContact O-C 3.47Å; G112-M115 WeakPolarHBondContact O-CA 3.46Å; G112-M115 WeakPolarHBondContact O-CB 3.35Å; G112-M115 PolarHBondContact O-N 2.9Å; S113-M115 VanDerWaalsContact C-N 3.29Å; M115-L117 VanDerWaalsContact C-N 3.26Å; M115-L117 HydrophobicContact CB-CG 4.29Å; M115-L117 PolarHBondContact O-N 3.38Å; M115-V126 HydrophobicContact CE-CB 3.44Å; M115-V126 VanDerWaalsContact CE-CB 3.44Å; M115-V126 HydrophobicContact CE-CG1 3.64Å; M115-V126 HydrophobicContact CE-CG2 3.97Å; M115-V126 HydrophobicContact SD-CB 3.9Å; M115-V126 HydrophobicContact SD-CG1 4.06Å; M115-V126 HydrophobicContact SD-CG2 3.75Å; M115-I128 HydrophobicContact CE-CD1 3.78Å; M115-I128 HydrophobicContact CE-CG1 4.29Å
116G75.7Confident81Confident48 Ų4851 Ų5150%0.49532%0.316SS..THydrogen-bonded Turntrans74.612.5-178.600000114.2G112 S113 Q114G112-G116 PolarHBondContact O-N 3.39Å; S113-G116 PolarHBondContact O-N 3.27Å; Q114-G116 PolarHBondContact O-N 3.5Å
117L78.8Confident81.6Confident40 Ų4051.6 Ų51.621%0.20932%0.32CS..  trans-72.2140.9173.7-54.2179.3000110.2G112 M115 A122 I150G112-L117 VanDerWaalsContact O-CB 3.23Å; G112-L117 WeakPolarHBondContact O-CB 3.25Å; G112-L117 WeakPolarHBondContact O-CG 3.47Å; G112-L117 PolarHBondContact O-N 3.28Å; M115-L117 VanDerWaalsContact C-N 3.26Å; M115-L117 HydrophobicContact CB-CG 4.29Å; M115-L117 PolarHBondContact O-N 3.38Å; L117-A122 WeakPolarHBondContact O-CB 3Å; L117-I150 HydrophobicContact CD1-CG2 3.35Å
118K80.6Confident81.9Confident188 Ų18849.7 Ų49.782%0.81731%0.311SS*.  trans-114.8162.3-180-65.1-176.7178.9179.80110.9
119G82.9Confident81.9Confident65 Ų6550.6 Ų50.667%0.6732%0.316SS*.G310 helixtrans70.8-144.8177.100000113.5S121 A122G119-S121 PolarHBondContact O-N 2.86Å; G119-A122 VanDerWaalsContact O-CB 3.26Å; G119-A122 WeakPolarHBondContact O-CB 3.43Å; G119-A122 PolarHBondContact O-N 3.46Å
120S81.5Confident81.6Confident111 Ų11148.4 Ų48.478%0.77630%0.303SS*.G310 helixtrans-59.8-25.2-179.252.90000113.7A122S120-A122 VanDerWaalsContact C-N 3.33Å
121S79.8Confident81.2Confident32 Ų3251.2 Ų51.222%0.22431%0.313CS..G310 helixtrans-77.8-16.3178.3-54.80000113.3G119 G123 Q124G119-S121 PolarHBondContact O-N 2.86Å; S121-G123 VanDerWaalsContact C-N 3.32Å; S121-G123 PolarHBondContact O-N 2.92Å; S121-Q124 PolarHBondContact O-N 3.36Å
122A80.7Confident80.5Confident23 Ų2349.9 Ų49.919%0.1931%0.307CS..THydrogen-bonded Turntrans-66.7-32.1-178.700000112.9G112 S113 L117 G119 S120 Q124G112-A122 CarbonylContact C-O 3.59Å; S113-A122 PolarHBondContact N-O 3.39Å; L117-A122 WeakPolarHBondContact O-CB 3Å; G119-A122 VanDerWaalsContact O-CB 3.26Å; G119-A122 WeakPolarHBondContact O-CB 3.43Å; G119-A122 PolarHBondContact O-N 3.46Å; S120-A122 VanDerWaalsContact C-N 3.33Å; A122-Q124 VanDerWaalsContact C-N 3.35Å
123G83.2Confident79.6Confident57 Ų5751.8 Ų51.859%0.58832%0.319SS*.THydrogen-bonded Turntrans-87.20.4179.300000114.7S121S121-G123 VanDerWaalsContact C-N 3.32Å; S121-G123 PolarHBondContact O-N 2.92Å
124Q85.1Confident78.5Confident77 Ų7753.1 Ų53.136%0.3632%0.324SS..  trans-85.8147.3-176.4-65.1-71.4-21.200111.2G112 S121 A122 I150G112-Q124 PolarHBondContact N-O 2.99Å; S121-Q124 PolarHBondContact O-N 3.36Å; A122-Q124 VanDerWaalsContact C-N 3.35Å; Q124-I150 HydrophobicContact CB-CD1 3.29Å; Q124-I150 HydrophobicContact CB-CG1 4.4Å; Q124-I150 HydrophobicContact CG-CD1 3.64Å
125L84.4Confident77.4Confident87 Ų8754.4 Ų54.446%0.45533%0.33SS..EExtended strand (participates in β ladder)trans-93.9139.3177.7-68.2166.8000110.6W80 L111W80-L125 HydrophobicContact CH2-CB 3.75Å; W80-L125 HydrophobicContact CZ3-CB 4.4Å; L111-L125 HydrophobicContact CD1-CD2 3.78Å; L111-L125 HydrophobicContact CD1-CG 4.35Å
126V84.2Confident76.2Confident0 Ų066.9 Ų66.90%038%0.377CS..EExtended strand (participates in β ladder)trans-116.3124.5172.5-178.20000108.3V110 M115 I128 F144 A146 I150 L151V110-V126 PolarHBondContact N-O 3.46Å; V110-V126 PolarHBondContact O-N 2.86Å; M115-V126 HydrophobicContact CE-CB 3.44Å; M115-V126 VanDerWaalsContact CE-CB 3.44Å; M115-V126 HydrophobicContact CE-CG1 3.64Å; M115-V126 HydrophobicContact CE-CG2 3.97Å; M115-V126 HydrophobicContact SD-CB 3.9Å; M115-V126 HydrophobicContact SD-CG1 4.06Å; M115-V126 HydrophobicContact SD-CG2 3.75Å; V126-I128 HydrophobicContact CG1-CG1 4.5Å; V126-F144 HydrophobicContact CG1-CB 4.49Å; V126-F144 HydrophobicContact CG1-CD1 4.44Å; V126-A146 HydrophobicContact CB-CB 4.48Å; V126-A146 HydrophobicContact CG1-CB 4.3Å; V126-A146 HydrophobicContact CG2-CB 3.96Å; V126-I150 HydrophobicContact CG2-CG2 3.91Å; V126-L151 HydrophobicContact CG1-CD2 4.49Å
127L85.1Confident75Confident21 Ų2170.1 Ų70.111%0.1139%0.388CS..EExtended strand (participates in β ladder)trans-88.3125174.6176.767.4000108.5W80 T109 F144 S145W80-L127 HydrophobicContact CD2-CB 3.93Å; W80-L127 HydrophobicContact CD2-CD2 3.95Å; W80-L127 VanDerWaalsContact CE2-CB 3.43Å; W80-L127 HydrophobicContact CE3-CB 4.25Å; W80-L127 HydrophobicContact CE3-CD2 4.42Å; W80-L127 HydrophobicContact CG-CD2 3.99Å; W80-L127 HydrophobicContact CH2-CB 3.72Å; W80-L127 HydrophobicContact CZ2-CB 3.36Å; W80-L127 VanDerWaalsContact CZ2-N 3.3Å; W80-L127 HydrophobicContact CZ3-CB 4.15Å; T109-L127 HydrophobicContact CG2-CD1 3.81Å; L127-F144 WeakPolarHBondContact O-CA 3.39Å; L127-S145 PolarHBondContact N-O 3.39Å; L127-S145 PolarHBondContact O-N 2.85Å
128I83.1Confident74Confident0 Ų071.8 Ų71.80%041%0.407CS..EExtended strand (participates in β ladder)trans-110.4120.5177.3-59.3155.4000107F64 L69 Q107 A108 V110 M115 V126 L142 Y143 F144F64-I128 HydrophobicContact CE2-CD1 3.92Å; F64-I128 HydrophobicContact CE2-CG1 4.49Å; F64-I128 HydrophobicContact CE2-CG2 4.37Å; L69-I128 HydrophobicContact CD1-CG2 4.3Å; L69-I128 HydrophobicContact CD2-CD1 3.52Å; Q107-I128 VanDerWaalsContact CA-O 3.31Å; Q107-I128 WeakPolarHBondContact CA-O 3.36Å; A108-I128 PolarHBondContact N-O 2.75Å; A108-I128 PolarHBondContact O-N 3.4Å; V110-I128 HydrophobicContact CB-CD1 4.09Å; V110-I128 HydrophobicContact CG2-CD1 3.68Å; M115-I128 HydrophobicContact CE-CD1 3.78Å; M115-I128 HydrophobicContact CE-CG1 4.29Å; V126-I128 HydrophobicContact CG1-CG1 4.5Å; I128-L142 HydrophobicContact CG2-CD2 4.29Å; I128-Y143 CarbonylContact C-O 3.53Å; I128-Y143 WeakPolarHBondContact CA-O 3.01Å; I128-F144 HydrophobicContact CG1-CD1 3.87Å; I128-F144 HydrophobicContact CG1-CE1 3.98Å; I128-F144 HydrophobicContact CG2-CE1 4.3Å
129T80Confident73.2Confident19 Ų1963.4 Ų63.412%0.11737%0.374CS..EExtended strand (participates in β ladder)trans-118110.6176.9-580000108.7F106 Q107 L142 Y143F106-T129 CarbonylContact O-C 3.27Å; F106-T129 WeakPolarHBondContact O-CA 3.28Å; Q107-T129 HydrophobicContact CG-CG2 4.03Å; T129-L142 CarbonylContact O-C 3.47Å; T129-L142 WeakPolarHBondContact O-CA 3.37Å; T129-Y143 PolarHBondContact N-O 2.91Å; T129-Y143 PolarHBondContact O-N 3.34Å
130A77.2Confident72.7Confident1 Ų160.3 Ų60.31%0.00834%0.342CS..EExtended strand (participates in β ladder)trans-90.1130.2169.500000109.8F94 T105 F106 T140 C141 L142F94-A130 HydrophobicContact CD2-CB 4.21Å; F94-A130 HydrophobicContact CE2-CB 3.71Å; F94-A130 HydrophobicContact CZ-CB 3.94Å; T105-A130 CarbonylContact C-O 3.55Å; T105-A130 VanDerWaalsContact CA-O 3.3Å; T105-A130 WeakPolarHBondContact CA-O 3.41Å; F106-A130 HydrophobicContact CB-CB 4.11Å; F106-A130 HydrophobicContact CD1-CB 4.19Å; F106-A130 PolarHBondContact N-O 3.37Å; F106-A130 PolarHBondContact O-N 3.24Å; A130-T140 HydrophobicContact CB-CG2 4.02Å; A130-C141 CarbonylContact C-O 3.53Å; A130-C141 WeakPolarHBondContact CA-O 3.16Å; A130-L142 HydrophobicContact CB-CD2 3.47Å; A130-L142 VanDerWaalsContact CB-CD2 3.47Å
131R74.7Confident72.5Confident66 Ų6655.5 Ų55.525%0.24931%0.308CS..EExtended strand (participates in β ladder)trans-123.9115.4175-174.4174.3179.3167.7-4.3109T105 C141 Y143 G164T105-R131 HydrophobicContact CG2-CG 4.3Å; R131-C141 PolarHBondContact N-O 2.93Å; R131-C141 PolarHBondContact O-N 2.86Å; R131-Y143 HydrophobicContact CB-CE2 4.17Å; R131-G164 VanDerWaalsContact NH1-CA 3.33Å; R131-G164 PolarHBondContact NH1-O 3.39Å
132V71.1Confident72.5Confident32 Ų3254 Ų5419%0.19430%0.298CS..EExtended strand (participates in β ladder)trans-82.8117.7174.5-1730000107.7F94 R104 T140F94-V132 HydrophobicContact CB-CG2 4.31Å; F94-V132 HydrophobicContact CD2-CG2 4.44Å; R104-V132 HydrophobicContact CB-CG2 4.4Å; R104-V132 PolarHBondContact O-N 2.93Å; V132-T140 HydrophobicContact CG2-CG2 4.29Å
133T63.9Low72.5Confident41 Ų4153.9 Ų53.925%0.25229%0.293SS..  trans-87.7139.5173.861.50000109.4E135 G139T133-E135 PolarHBondContact O-N 3.42Å; T133-G139 PolarHBondContact N-O 2.97Å; T133-G139 PolarHBondContact OG1-O 3.25Å
134T59.4Low72.6Confident89 Ų8951.2 Ų51.255%0.54627%0.265SS..  trans-84.818.4177.253.90000112.1
135E57.3Low72.6Confident142 Ų14248 Ų4866%0.66425%0.251SS*.SBendtrans-75157.3-178.8-71.3-171.5165.300111.2T133 T137T133-E135 PolarHBondContact O-N 3.42Å; E135-T137 CarbonylContact O-C 3.48Å; E135-T137 VanDerWaalsContact O-C 3.27Å; E135-T137 PolarHBondContact O-N 2.93Å
136R51.2Low72.5Confident266 Ų26643.9 Ų43.9100%1.00423%0.23SC*.SBendtrans-52-22.2-171.1-79.1-178.6-179.5166.31.1114.6
137T51.3Low72.5Confident115 Ų11546.5 Ų46.571%0.70625%0.245SC*.SBendtrans-105.3105.4167.840.40000108.4E135 G139E135-T137 CarbonylContact O-C 3.48Å; E135-T137 VanDerWaalsContact O-C 3.27Å; E135-T137 PolarHBondContact O-N 2.93Å; T137-G139 PolarHBondContact O-N 3.42Å
138A56.7Low72.1Confident75 Ų7549 Ų4962%0.6226%0.263SS*.  trans-65.577.8-178.200000111.9
139G64.4Low71.7Confident12 Ų1252 Ų5212%0.12429%0.294CS..PPolyproline II helixtrans-100.8141.9173.100000110.8T133 T137T133-G139 PolarHBondContact N-O 2.97Å; T133-G139 PolarHBondContact OG1-O 3.25Å; T137-G139 PolarHBondContact O-N 3.42Å
140T71.7Confident71.7Confident1 Ų151.8 Ų51.81%0.00629%0.292CS..EExtended strand (participates in β ladder)trans-101.8129.2168.6-64.70000109.3T90 L92 F94 A130 V132T90-T140 HydrophobicContact CG2-CG2 4.41Å; T90-T140 VanDerWaalsContact CG2-O 3.25Å; T90-T140 WeakPolarHBondContact CG2-O 3.46Å; T90-T140 PolarHBondContact N-O 3.26Å; T90-T140 PolarHBondContact O-N 3.42Å; T90-T140 VanDerWaalsContact O-O 3.13Å; L92-T140 WeakPolarHBondContact O-CB 3.25Å; L92-T140 PolarHBondContact O-OG1 2.85Å; F94-T140 HydrophobicContact CD2-CG2 3.8Å; F94-T140 HydrophobicContact CE2-CG2 3.67Å; A130-T140 HydrophobicContact CB-CG2 4.02Å; V132-T140 HydrophobicContact CG2-CG2 4.29Å
141C77.3Confident71.8Confident9 Ų952 Ų526%0.06129%0.293CS..EExtended strand (participates in β ladder)trans-93.7117.6174.1-92.90000110.6A130 R131 Y143 C160A130-C141 CarbonylContact C-O 3.53Å; A130-C141 WeakPolarHBondContact CA-O 3.16Å; R131-C141 PolarHBondContact N-O 2.93Å; R131-C141 PolarHBondContact O-N 2.86Å; C141-Y143 HydrophobicContact CB-CD2 4.46Å; C141-Y143 HydrophobicContact CB-CE2 3.67Å; C141-C160 WeakPolarHBondContact CA-SG 3.43Å; C141-C160 HydrophobicContact CB-CB 4.02Å; C141-C160 WeakPolarHBondContact CB-SG 3.48Å; C141-C160 WeakPolarHBondContact SG-CB 3.45Å; C141-C160 CovalentContact SG-SG 2.04Å; C141-C160 PolarHBondContact SG-SG 2.85Å
142L80.9Confident71.8Confident1 Ų149.5 Ų49.51%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-94.4119.9171.5-69.3174.1000109.9F64 G87 L88 T90 L92 F94 I128 T129 A130 F144F64-L142 HydrophobicContact CE1-CD1 3.76Å; F64-L142 HydrophobicContact CZ-CD1 3.82Å; G87-L142 CarbonylContact C-O 3.57Å; G87-L142 WeakPolarHBondContact CA-O 3.35Å; L88-L142 HydrophobicContact CB-CB 4.31Å; L88-L142 PolarHBondContact N-O 3.11Å; L88-L142 PolarHBondContact O-N 2.81Å; T90-L142 HydrophobicContact CG2-CD1 3.64Å; T90-L142 HydrophobicContact CG2-CG 3.69Å; L92-L142 HydrophobicContact CD1-CD1 4.03Å; F94-L142 HydrophobicContact CZ-CD2 4.43Å; I128-L142 HydrophobicContact CG2-CD2 4.29Å; T129-L142 CarbonylContact O-C 3.47Å; T129-L142 WeakPolarHBondContact O-CA 3.37Å; A130-L142 HydrophobicContact CB-CD2 3.47Å; A130-L142 VanDerWaalsContact CB-CD2 3.47Å; L142-F144 HydrophobicContact CB-CE2 3.88Å; L142-F144 HydrophobicContact CB-CZ 4.21Å; L142-F144 HydrophobicContact CD1-CZ 4.28Å
143Y81.3Confident71.7Confident21 Ų2153.1 Ų53.18%0.08231%0.312CS..EExtended strand (participates in β ladder)trans-103.8124.5173-59.8-90.4000109.4V85 V86 I128 T129 R131 C141 C160 S161 A165V85-Y143 HydrophobicContact CG1-CD1 4.17Å; V86-Y143 CarbonylContact O-C 3.52Å; V86-Y143 WeakPolarHBondContact O-CA 3.41Å; I128-Y143 CarbonylContact C-O 3.53Å; I128-Y143 WeakPolarHBondContact CA-O 3.01Å; T129-Y143 PolarHBondContact N-O 2.91Å; T129-Y143 PolarHBondContact O-N 3.34Å; R131-Y143 HydrophobicContact CB-CE2 4.17Å; C141-Y143 HydrophobicContact CB-CD2 4.46Å; C141-Y143 HydrophobicContact CB-CE2 3.67Å; Y143-C160 HydrophobicContact CE1-CB 3.99Å; Y143-S161 PolarHBondContact OH-O 3.38Å; Y143-A165 HydrophobicContact CD1-CB 4.42Å; Y143-A165 HydrophobicContact CE1-CB 4.39Å
144F84.1Confident71.9Confident0 Ų053 Ų530%031%0.313CS..EExtended strand (participates in β ladder)trans-103.2119.4173.6-59.8-89.4000108.3F60 F64 V85 V86 L88 V126 L127 I128 L142 L151F60-F144 HydrophobicContact CE1-CD1 4.19Å; F60-F144 HydrophobicContact CE1-CE1 4.05Å; F60-F144 HydrophobicContact CE1-CE2 4.39Å; F60-F144 HydrophobicContact CE1-CG 4.41Å; F60-F144 HydrophobicContact CE1-CZ 4.16Å; F60-F144 AromaticContact CZ-CD1 3.75Å; F60-F144 HydrophobicContact CZ-CD1 3.75Å; F60-F144 AromaticContact CZ-CE1 3.94Å; F60-F144 HydrophobicContact CZ-CE1 3.94Å; F60-F144 HydrophobicContact CZ-CG 4.13Å; F60-F144 HydrophobicContact CZ-CZ 4.49Å; F64-F144 HydrophobicContact CD1-CZ 4.43Å; F64-F144 AromaticContact CD2-CE1 3.68Å; F64-F144 HydrophobicContact CD2-CE1 3.68Å; F64-F144 HydrophobicContact CD2-CZ 4.08Å; F64-F144 HydrophobicContact CE1-CZ 4.18Å; F64-F144 AromaticContact CE2-CE1 3.51Å; F64-F144 HydrophobicContact CE2-CE1 3.51Å; F64-F144 AromaticContact CE2-CZ 3.83Å; F64-F144 HydrophobicContact CE2-CZ 3.83Å; F64-F144 HydrophobicContact CG-CE1 4.36Å; F64-F144 HydrophobicContact CG-CZ 4.38Å; F64-F144 HydrophobicContact CZ-CE1 4.05Å; F64-F144 AromaticContact CZ-CZ 3.88Å; F64-F144 HydrophobicContact CZ-CZ 3.88Å; V85-F144 CarbonylContact C-O 3.54Å; V85-F144 VanDerWaalsContact CA-O 3.29Å; V85-F144 WeakPolarHBondContact CA-O 3.03Å; V86-F144 PolarHBondContact N-O 3.05Å; V86-F144 PolarHBondContact O-N 2.87Å; L88-F144 HydrophobicContact CB-CE2 3.99Å; L88-F144 HydrophobicContact CD2-CE2 4.11Å; V126-F144 HydrophobicContact CG1-CB 4.49Å; V126-F144 HydrophobicContact CG1-CD1 4.44Å; L127-F144 WeakPolarHBondContact O-CA 3.39Å; I128-F144 HydrophobicContact CG1-CD1 3.87Å; I128-F144 HydrophobicContact CG1-CE1 3.98Å; I128-F144 HydrophobicContact CG2-CE1 4.3Å; L142-F144 HydrophobicContact CB-CE2 3.88Å; L142-F144 HydrophobicContact CB-CZ 4.21Å; L142-F144 HydrophobicContact CD1-CZ 4.28Å; F144-L151 HydrophobicContact CB-CD1 4.05Å; F144-L151 HydrophobicContact CB-CD2 3.86Å; F144-L151 WeakPolarHBondContact O-CD1 3.45Å
145S84.5Confident72.3Confident11 Ų1156.2 Ų56.28%0.07732%0.322CS..EExtended strand (participates in β ladder)trans-117.3124.3175.9-177.20000110.2W80 G82 H84 L127W80-S145 VanDerWaalsContact CZ2-O 3.28Å; W80-S145 WeakPolarHBondContact CZ2-O 3.38Å; W80-S145 PolarHBondContact NE1-O 3.21Å; W80-S145 PolarHBondContact NE1-OG 3.48Å; G82-S145 PolarHBondContact O-OG 2.89Å; G82-S145 VanDerWaalsContact O-OG 3.05Å; H84-S145 WeakPolarHBondContact O-CA 3.26Å; L127-S145 PolarHBondContact N-O 3.39Å; L127-S145 PolarHBondContact O-N 2.85Å
146A83.9Confident72.9Confident0 Ų050.5 Ų50.50%030%0.297CS..EExtended strand (participates in β ladder)trans-148.5172.4-178.800000111.6G82 H84 V126 I150 L151G82-A146 CarbonylContact C-O 3.56Å; G82-A146 VanDerWaalsContact CA-C 3.45Å; G82-A146 WeakPolarHBondContact CA-O 3.42Å; H84-A146 PolarHBondContact N-O 3.37Å; H84-A146 PolarHBondContact O-N 3.43Å; V126-A146 HydrophobicContact CB-CB 4.48Å; V126-A146 HydrophobicContact CG1-CB 4.3Å; V126-A146 HydrophobicContact CG2-CB 3.96Å; A146-I150 HydrophobicContact CB-CB 4.03Å; A146-I150 HydrophobicContact CB-CD1 4.17Å; A146-I150 HydrophobicContact CB-CG2 3.98Å; A146-L151 HydrophobicContact CB-CD1 3.81Å; A146-L151 HydrophobicContact CB-CD2 4.5Å; A146-L151 HydrophobicContact CB-CG 3.82Å
147V82.7Confident73.5Confident54 Ų5438.7 Ų38.733%0.32725%0.254SS..SBendtrans-62.9143.4168.6-175.80000109.1I150V147-I150 HydrophobicContact CB-CD1 3.69Å; V147-I150 HydrophobicContact CB-CG1 4.43Å; V147-I150 HydrophobicContact CG2-CD1 4.29Å; V147-I150 WeakPolarHBondContact O-CB 3.44Å; V147-I150 WeakPolarHBondContact O-CG1 3.17Å; V147-I150 PolarHBondContact O-N 2.87Å
148P77.7Confident74.4Confident73 Ų7336 Ų3647%0.47424%0.235SC..THydrogen-bonded Turntrans-52.1141.8176.2-27.835.4000112.7S83 H84S83-P148 WeakPolarHBondContact OG-CD 3.42Å; S83-P148 WeakPolarHBondContact OG-CG 3.27Å; H84-P148 HydrophobicContact CB-CG 4.46Å
149G74.4Confident75.1Confident64 Ų6435.2 Ų35.266%0.6623%0.225SC*.THydrogen-bonded Turntrans87.1-3.6-179.500000115.7
150I80Confident75.5Confident14 Ų1435.5 Ų35.57%0.07223%0.225CC..THydrogen-bonded Turntrans-89.8-44.2173.9-63176.9000111L117 Q124 V126 A146 V147L117-I150 HydrophobicContact CD1-CG2 3.35Å; Q124-I150 HydrophobicContact CB-CD1 3.29Å; Q124-I150 HydrophobicContact CB-CG1 4.4Å; Q124-I150 HydrophobicContact CG-CD1 3.64Å; V126-I150 HydrophobicContact CG2-CG2 3.91Å; A146-I150 HydrophobicContact CB-CB 4.03Å; A146-I150 HydrophobicContact CB-CD1 4.17Å; A146-I150 HydrophobicContact CB-CG2 3.98Å; V147-I150 HydrophobicContact CB-CD1 3.69Å; V147-I150 HydrophobicContact CB-CG1 4.43Å; V147-I150 HydrophobicContact CG2-CD1 4.29Å; V147-I150 WeakPolarHBondContact O-CB 3.44Å; V147-I150 WeakPolarHBondContact O-CG1 3.17Å; V147-I150 PolarHBondContact O-N 2.87Å
151L78.9Confident75.2Confident6 Ų639.5 Ų39.53%0.03125%0.253CS..SBendtrans-86.3150.1179.1-65169.7000109.8F60 V86 V126 F144 A146 S153F60-L151 HydrophobicContact CE2-CD2 3.7Å; F60-L151 HydrophobicContact CZ-CD2 3.75Å; V86-L151 HydrophobicContact CG2-CB 4.33Å; V86-L151 HydrophobicContact CG2-CD1 4.12Å; V126-L151 HydrophobicContact CG1-CD2 4.49Å; F144-L151 HydrophobicContact CB-CD1 4.05Å; F144-L151 HydrophobicContact CB-CD2 3.86Å; F144-L151 WeakPolarHBondContact O-CD1 3.45Å; A146-L151 HydrophobicContact CB-CD1 3.81Å; A146-L151 HydrophobicContact CB-CD2 4.5Å; A146-L151 HydrophobicContact CB-CG 3.82Å; L151-S153 PolarHBondContact O-N 2.96Å
152P75Confident74.1Confident13 Ų1347.8 Ų47.88%0.08429%0.291CS..  trans-53.5128.4172.2-23.633.3000110.4D56 W57 F60 S154D56-P152 HydrophobicContact CB-CB 4.27Å; D56-P152 HydrophobicContact CB-CG 4.46Å; W57-P152 HydrophobicContact CD2-CB 3.98Å; W57-P152 HydrophobicContact CD2-CG 3.86Å; W57-P152 HydrophobicContact CE3-CG 4.02Å; W57-P152 HydrophobicContact CG-CB 4.29Å; W57-P152 HydrophobicContact CG-CG 4.36Å; W57-P152 HydrophobicContact CH2-CB 4.5Å; W57-P152 HydrophobicContact CH2-CG 4.25Å; W57-P152 HydrophobicContact CZ2-CB 3.91Å; W57-P152 HydrophobicContact CZ2-CG 4.14Å; W57-P152 HydrophobicContact CZ3-CG 4.22Å; F60-P152 HydrophobicContact CB-CG 4.13Å; F60-P152 HydrophobicContact CG-CG 4.27Å; P152-S154 VanDerWaalsContact C-N 3.26Å
153S69.3Low72.7Confident108 Ų10856.4 Ų56.476%0.75533%0.331SS*.SBendtrans-76.7-16.7178.8-52.70000112.7L151L151-S153 PolarHBondContact O-N 2.96Å
154S68.3Low71Confident38 Ų3855.9 Ų55.927%0.26633%0.332SS..SBendtrans-71146.9174.950.70000112.1P54 W57 P152P54-S154 VanDerWaalsContact CG-OG 3.25Å; P54-S154 WeakPolarHBondContact CG-OG 3.36Å; W57-S154 PolarHBondContact NE1-O 2.85Å; W57-S154 PolarHBondContact NE1-OG 3.34Å; W57-S154 VanDerWaalsContact NE1-OG 3.09Å; P152-S154 VanDerWaalsContact C-N 3.26Å
155Q68.5Low69.2Low158 Ų15858.5 Ų58.574%0.73835%0.354SS*.PPolyproline II helixtrans-52.3133.7176.8-166.5172.320.200111.2W57W57-Q155 PolarHBondContact NE1-O 3.07Å
156P68.3Low67.1Low21 Ų2161.1 Ų61.114%0.13638%0.382CS..PPolyproline II helixtrans-64.715317927.2-35.3000111.1W57 V86 G87 L88 I158 S159W57-P156 HydrophobicContact CH2-CB 3.99Å; W57-P156 HydrophobicContact CZ2-CB 3.69Å; V86-P156 HydrophobicContact CG1-CB 3.68Å; V86-P156 HydrophobicContact CG1-CG 3.56Å; G87-P156 WeakPolarHBondContact O-CG 3.37Å; L88-P156 HydrophobicContact CD1-CB 3.84Å; P156-I158 VanDerWaalsContact C-N 3.28Å; P156-I158 PolarHBondContact O-N 3.19Å; P156-S159 WeakPolarHBondContact CG-OG 3.21Å
157P64.4Low64.8Low18 Ų1868.1 Ų68.112%0.11742%0.42CS..SBendtrans-63.5-32.8-175.2-21.232.2000113.6W57 L189 K191W57-P157 HydrophobicContact CG-CG 4.46Å; P157-L189 HydrophobicContact CB-CB 3.85Å; P157-L189 HydrophobicContact CB-CD2 3.9Å; P157-L189 HydrophobicContact CG-CB 3.71Å; P157-L189 HydrophobicContact CG-CD2 3.87Å; P157-K191 HydrophobicContact CB-CB 4.3Å
158I70.3Confident62.6Low58 Ų5867.1 Ų67.130%0.29742%0.417SS..SBendtrans-138.4100.9173.7-46.8173.6000108.6L88 L89 P156L88-I158 WeakPolarHBondContact CA-O 3.23Å; L89-I158 HydrophobicContact CB-CB 4.14Å; L89-I158 HydrophobicContact CB-CG2 3.56Å; L89-I158 HydrophobicContact CD2-CG2 3.92Å; L89-I158 HydrophobicContact CG-CG2 4.36Å; L89-I158 PolarHBondContact N-O 2.91Å; P156-I158 VanDerWaalsContact C-N 3.28Å; P156-I158 PolarHBondContact O-N 3.19Å
159S70.9Confident60.5Low59 Ų5969.7 Ų69.741%0.41343%0.432SS..PPolyproline II helixtrans-74.5145-179.1-56.20000112.4G87 P156G87-S159 WeakPolarHBondContact O-CA 3.28Å; P156-S159 WeakPolarHBondContact CG-OG 3.21Å
160C73.6Confident58.7Low18 Ų1870.6 Ų70.612%0.12242%0.421CS..PPolyproline II helixtrans-82.3152.3162.1-68.80000110.7G87 L88 C141 Y143G87-C160 PolarHBondContact O-N 3.31Å; L88-C160 VanDerWaalsContact C-SG 3.53Å; C141-C160 WeakPolarHBondContact CA-SG 3.43Å; C141-C160 HydrophobicContact CB-CB 4.02Å; C141-C160 WeakPolarHBondContact CB-SG 3.48Å; C141-C160 WeakPolarHBondContact SG-CB 3.45Å; C141-C160 CovalentContact SG-SG 2.04Å; C141-C160 PolarHBondContact SG-SG 2.85Å; Y143-C160 HydrophobicContact CE1-CB 3.99Å
161S65.4Low56.6Low86 Ų8673.6 Ų73.660%0.60144%0.443SS*.PPolyproline II helixtrans-62.5134.4168.7-174.70000110Y143 E163Y143-S161 PolarHBondContact OH-O 3.38Å; S161-E163 PolarHBondContact O-N 3.17Å; S161-E163 VanDerWaalsContact O-N 3.07Å
162E54.4Low54.6Low182 Ų18278.9 Ų78.985%0.8548%0.478SS*.G310 helixtrans-62.2-15.3-175.1-78-159.7149.100114.3G164 A165E162-G164 PolarHBondContact O-N 3.46Å; E162-A165 PolarHBondContact O-N 2.94Å
163E51.1Low53.1Low183 Ų18389.3 Ų89.386%0.85552%0.516SS*.G310 helixtrans-61.4-8.1-176.6-132.2131.5-157.900114.2S161S161-E163 PolarHBondContact O-N 3.17Å; S161-E163 VanDerWaalsContact O-N 3.07Å
164G46.2Very low52.1Low9 Ų987.5 Ų87.59%0.09350%0.496CS..G310 helixtrans-100.3-13.4-177.400000117.4R131 E162R131-G164 VanDerWaalsContact NH1-CA 3.33Å; R131-G164 PolarHBondContact NH1-O 3.39Å; E162-G164 PolarHBondContact O-N 3.46Å
165A45Very low51.2Low55 Ų5588.4 Ų88.446%0.45551%0.511SS..SBendtrans-82.6-24-16500000114.9V85 Y143 E162V85-A165 HydrophobicContact CG1-CB 4.41Å; Y143-A165 HydrophobicContact CD1-CB 4.42Å; Y143-A165 HydrophobicContact CE1-CB 4.39Å; E162-A165 PolarHBondContact O-N 2.94Å
166G40.2Very low50.6Low66 Ų6689.1 Ų89.168%0.6852%0.515SS*.SBendtrans-91.3-24.9-168.400000117.1
167N37.2Very low50.2Low147 Ų14796 Ų9679%0.78655%0.545SS*.  trans-134.239.9-162.9-66.3-22.4000113.8T169N167-T169 PolarHBondContact O-N 3.35Å
168A36.3Very low50.4Low33 Ų3398.1 Ų98.127%0.27356%0.56SS.*  trans-78.989.2174.700000110.3T105 L170T105-A168 HydrophobicContact CG2-CB 4.34Å; A168-L170 PolarHBondContact O-N 3.39Å
169T32Very low50.1Low127 Ų12798 Ų9878%0.77956%0.562SS**  trans-57.7121.7167.5-37.40000108.8N167 S171N167-T169 PolarHBondContact O-N 3.35Å; T169-S171 PolarHBondContact O-N 3.05Å; T169-S171 VanDerWaalsContact O-N 3.17Å
170L38.1Very low49.7Very low84 Ų8498.3 Ų98.344%0.4456%0.564SS.*  trans-58.3113.8-179.5-72146.5000109.4Q107 A168 P172Q107-L170 VanDerWaalsContact OE1-CD2 3.27Å; A168-L170 PolarHBondContact O-N 3.39Å; L170-P172 WeakPolarHBondContact O-CD 3.34Å
171S34.3Very low49.2Very low76 Ų7697.7 Ų97.753%0.53156%0.56SS.*  trans-88.6112.5167.3-166.90000108.5T169 R173T169-S171 PolarHBondContact O-N 3.05Å; T169-S171 VanDerWaalsContact O-N 3.17Å; S171-R173 VanDerWaalsContact C-N 3.31Å; S171-R173 PolarHBondContact O-N 3.43Å; S171-R173 VanDerWaalsContact O-N 3.08Å
172P38.2Very low48.5Very low118 Ų118101.7 Ų101.777%0.76656%0.562SS**  trans-88.472.6-176.735.3-29.2000108.2L170L170-P172 WeakPolarHBondContact O-CD 3.34Å
173R43.4Very low48.3Very low231 Ų23195 Ų9587%0.87254%0.535SS*.  trans-167.169.2172.2-110168-162.9-145.56111.5S171S171-R173 VanDerWaalsContact C-N 3.31Å; S171-R173 PolarHBondContact O-N 3.43Å; S171-R173 VanDerWaalsContact O-N 3.08Å
174M48.1Very low47.7Very low70 Ų7094.5 Ų94.535%0.34553%0.532SS..  trans-121.3134.1151.6-106.792.2173.200106.5R104R104-M174 HydrophobicContact CB-CE 4.16Å; R104-M174 HydrophobicContact CG-CE 4.49Å
175G49.9Very low47.7Very low57 Ų57102 Ų10259%0.58857%0.565SS**  trans-57.7164.2-175.300000112.7P71 E177P71-G175 WeakPolarHBondContact CG-O 3.21Å; G175-E177 PolarHBondContact O-N 2.97Å
176E54.7Low47.6Very low174 Ų174101.2 Ų101.281%0.81356%0.562SS**SBendtrans-62.110-177.5-61.4-178.215100114.8
177E61.7Low47.9Very low164 Ų16499.3 Ų99.377%0.76654%0.536SS*.PPolyproline II helixtrans-88.2123.7-175.2-65.8-178.8176.300110.9G175G175-E177 PolarHBondContact O-N 2.97Å
178C67.4Low48.2Very low63 Ų6396.1 Ų96.143%0.42652%0.522SS..PPolyproline II helixtrans-72.3134.6171.4-54.60000110.2T68 L69 C70T68-C178 HydrophobicContact CG2-CB 3.49Å; T68-C178 VanDerWaalsContact CG2-CB 3.49Å; L69-C178 CarbonylContact O-C 3.55Å; L69-C178 WeakPolarHBondContact O-CA 3.47Å; C70-C178 HydrophobicContact CB-CB 4Å; C70-C178 WeakPolarHBondContact CB-SG 2.94Å; C70-C178 WeakPolarHBondContact SG-CB 3.25Å; C70-C178 CovalentContact SG-SG 2.04Å; C70-C178 PolarHBondContact SG-SG 2.96Å
179V64.2Low48.5Very low56 Ų5695.4 Ų95.434%0.33951%0.514SS..EExtended strand (participates in β ladder)trans-97.4117.5179.9-177.80000109.2L69 F94 V181L69-V179 PolarHBondContact N-O 3.31Å; L69-V179 PolarHBondContact O-N 3.28Å; F94-V179 HydrophobicContact CD1-CG1 4.47Å; F94-V179 HydrophobicContact CE1-CG1 4.18Å; V179-V181 PolarHBondContact O-N 2.94Å
180S63.3Low48.9Very low65 Ų6590.9 Ų90.946%0.45549%0.486SS..EExtended strand (participates in β ladder)trans-69.9127.6169.257.10000109.6W182S180-W182 PolarHBondContact O-N 3.36Å
181V61.8Low49Very low6 Ų691.7 Ų91.74%0.03649%0.486CS..  trans-81.8108172.4-179.30000107.7F64 L67 L69 L92 V179 L187F64-V181 HydrophobicContact CD1-CG1 4.03Å; F64-V181 HydrophobicContact CE1-CB 4.45Å; F64-V181 HydrophobicContact CE1-CG1 3.62Å; F64-V181 HydrophobicContact CE1-CG2 4.23Å; F64-V181 HydrophobicContact CZ-CG1 4.26Å; F64-V181 HydrophobicContact CZ-CG2 4.03Å; L67-V181 PolarHBondContact O-N 3.29Å; L69-V181 HydrophobicContact CD1-CG2 3.54Å; L69-V181 HydrophobicContact CG-CG2 3.74Å; L92-V181 HydrophobicContact CD1-CG1 4.13Å; V179-V181 PolarHBondContact O-N 2.94Å; V181-L187 HydrophobicContact CG1-CD1 3.64Å
182W51.8Low49.7Very low170 Ų17092.8 Ų92.864%0.64449%0.485SS*.  trans-130143.1172.168.4-69.3000109.1S180 H184S180-W182 PolarHBondContact O-N 3.36Å; W182-H184 HydrophobicContact CZ3-CB 4.49Å
183S49.6Very low50.3Low42 Ų4289.7 Ų89.729%0.29446%0.462SS..  trans-120.7130173169.30000107.3E185 G186S183-E185 PolarHBondContact O-N 2.94Å; S183-E185 VanDerWaalsContact O-N 3.09Å; S183-E185 PolarHBondContact OG-N 3.44Å; S183-G186 PolarHBondContact O-N 3.36Å; S183-G186 VanDerWaalsContact O-N 3.08Å; S183-G186 PolarHBondContact OG-O 2.95Å
184H39.4Very low51.1Low171 Ų17181.8 Ų81.879%0.79244%0.439SS*.THydrogen-bonded Turntrans-63.9-15.7-178.7-149.6-35.6000112.7W182W182-H184 HydrophobicContact CZ3-CB 4.49Å
185E44.6Very low51.8Low166 Ų16682.6 Ų82.678%0.77645%0.452SS*.THydrogen-bonded Turntrans-113.613.9178.1-62.9-164.9153.800113.5S183S183-E185 PolarHBondContact O-N 2.94Å; S183-E185 VanDerWaalsContact O-N 3.09Å; S183-E185 PolarHBondContact OG-N 3.44Å
186G44.1Very low52.7Low39 Ų3987.1 Ų87.140%0.40246%0.457SS..  trans70.2149.5-162.500000109.9S183 V188S183-G186 PolarHBondContact O-N 3.36Å; S183-G186 VanDerWaalsContact O-N 3.08Å; S183-G186 PolarHBondContact OG-O 2.95Å; G186-V188 PolarHBondContact O-N 2.85Å
187L46.3Very low53.5Low27 Ų2783.8 Ų83.814%0.14144%0.442CS..SBendtrans-77.353.9175.1-139129.1000108.8L61 F64 V181 L189L61-L187 HydrophobicContact CB-CD2 4.07Å; L61-L187 HydrophobicContact CD2-CD2 3.66Å; L61-L187 HydrophobicContact CG-CD2 4.33Å; F64-L187 HydrophobicContact CD1-CD1 4.18Å; F64-L187 HydrophobicContact CD1-CD2 4.03Å; F64-L187 HydrophobicContact CE1-CD1 4.34Å; V181-L187 HydrophobicContact CG1-CD1 3.64Å; L187-L189 VanDerWaalsContact C-N 3.3Å; L187-L189 HydrophobicContact CD2-CD1 3.57Å; L187-L189 HydrophobicContact CG-CD1 4.34Å; L187-L189 PolarHBondContact O-N 3.39Å; L187-L189 VanDerWaalsContact O-N 3.13Å
188V42.3Very low54Low80 Ų8076.1 Ų76.149%0.48541%0.406SS..  trans-85.182.5178.8-178.20000105G186 T190G186-V188 PolarHBondContact O-N 2.85Å; V188-T190 HydrophobicContact CG1-CG2 3.57Å; V188-T190 PolarHBondContact O-N 3.49Å
189L44.5Very low54.6Low18 Ų1874.3 Ų74.39%0.09440%0.396CS..  trans-70.371.8165.4-85.688.7000108.5I53 L61 L88 P157 L187 K191I53-L189 WeakPolarHBondContact CD1-O 3.45Å; L61-L189 HydrophobicContact CD1-CB 3.55Å; L61-L189 HydrophobicContact CD1-CD1 3.56Å; L61-L189 HydrophobicContact CD1-CD2 4.4Å; L61-L189 HydrophobicContact CD1-CG 4.02Å; L61-L189 HydrophobicContact CD2-CD1 3.9Å; L61-L189 HydrophobicContact CG-CD1 4.29Å; L88-L189 HydrophobicContact CD1-CD2 3.07Å; L88-L189 HydrophobicContact CD1-CG 4.46Å; L88-L189 HydrophobicContact CD2-CD1 3.78Å; L88-L189 HydrophobicContact CD2-CD2 3.65Å; L88-L189 HydrophobicContact CD2-CG 4.38Å; L88-L189 HydrophobicContact CG-CD1 4.47Å; L88-L189 HydrophobicContact CG-CD2 3.47Å; L88-L189 VanDerWaalsContact CG-CD2 3.47Å; P157-L189 HydrophobicContact CB-CB 3.85Å; P157-L189 HydrophobicContact CB-CD2 3.9Å; P157-L189 HydrophobicContact CG-CB 3.71Å; P157-L189 HydrophobicContact CG-CD2 3.87Å; L187-L189 VanDerWaalsContact C-N 3.3Å; L187-L189 HydrophobicContact CD2-CD1 3.57Å; L187-L189 HydrophobicContact CG-CD1 4.34Å; L187-L189 PolarHBondContact O-N 3.39Å; L187-L189 VanDerWaalsContact O-N 3.13Å; L189-K191 PolarHBondContact O-N 3.34Å
190T38.8Very low55.6Low32 Ų3276.2 Ų76.220%0.19640%0.403CS..  trans-69.2111.6155.940.30000107.6R49 I53 V188 L192R49-T190 HydrophobicContact CB-CG2 3.88Å; R49-T190 HydrophobicContact CG-CG2 3.93Å; I53-T190 HydrophobicContact CD1-CG2 3.96Å; V188-T190 HydrophobicContact CG1-CG2 3.57Å; V188-T190 PolarHBondContact O-N 3.49Å; T190-L192 VanDerWaalsContact C-N 3.35Å; T190-L192 PolarHBondContact O-N 2.87Å
191K41.5Very low56.6Low101 Ų10175.9 Ų75.944%0.43940%0.4SS..  trans-46107.3164.5-172.9-175.8-177.6-175.30105S50 P157 L189 L193S50-K191 WeakPolarHBondContact CB-O 3.4Å; P157-K191 HydrophobicContact CB-CB 4.3Å; L189-K191 PolarHBondContact O-N 3.34Å; K191-L193 PolarHBondContact O-N 3.48Å
192L49.3Very low57.8Low98 Ų9875.6 Ų75.651%0.51340%0.399SS..BIsolated β-bridgetrans-59.1131.5172.1-75.794.8000104.6T190 T194T190-L192 VanDerWaalsContact C-N 3.35Å; T190-L192 PolarHBondContact O-N 2.87Å; L192-T194 PolarHBondContact O-N 3.43Å; L192-T194 VanDerWaalsContact O-N 3.11Å
193L49.7Very low59.5Low54 Ų5470.3 Ų70.328%0.28339%0.388SS..PPolyproline II helixtrans-48.9129.4158-82.494000105K191 S195 L198K191-L193 PolarHBondContact O-N 3.48Å; L193-S195 PolarHBondContact O-N 3.11Å; L193-L198 HydrophobicContact CB-CB 4.19Å; L193-L198 HydrophobicContact CB-CD1 4.18Å
194T59.7Low61.6Low65 Ų6576.3 Ų76.340%0.39940%0.404SS..PPolyproline II helixtrans-54.4139.7-179.761.30000106.5L192 E196 E197 L198L192-T194 PolarHBondContact O-N 3.43Å; L192-T194 VanDerWaalsContact O-N 3.11Å; T194-E196 CarbonylContact O-C 3.58Å; T194-E196 PolarHBondContact O-N 3.45Å; T194-E197 PolarHBondContact O-N 3.32Å; T194-E197 WeakPolarHBondContact OG1-CB 3.4Å; T194-E197 VanDerWaalsContact OG1-CG 3.23Å; T194-E197 WeakPolarHBondContact OG1-CG 3.27Å; T194-E197 PolarHBondContact OG1-N 2.95Å; T194-L198 PolarHBondContact O-N 2.9Å; T194-L198 VanDerWaalsContact O-N 3.08Å
195S62.6Low64.1Low86 Ų8670.1 Ų70.160%0.60138%0.377SS*.Hα-helixtrans-52.4-26.1-178.850.20000111.8L193 A199L193-S195 PolarHBondContact O-N 3.11Å; S195-A199 WeakPolarHBondContact O-CB 3.28Å; S195-A199 PolarHBondContact O-N 2.83Å
196E70Confident66.3Low152 Ų15264.8 Ų64.871%0.7135%0.353SS*.Hα-helixtrans-67.9-51.1172.4-60.2-175.4169.400113.2T194 L198 A199 L200T194-E196 CarbonylContact O-C 3.58Å; T194-E196 PolarHBondContact O-N 3.45Å; E196-L198 VanDerWaalsContact C-N 3.32Å; E196-L198 PolarHBondContact O-N 3.24Å; E196-A199 PolarHBondContact O-N 2.89Å; E196-L200 VanDerWaalsContact O-CB 3.28Å; E196-L200 WeakPolarHBondContact O-CB 3.39Å; E196-L200 PolarHBondContact O-N 3.19Å
197E70.5Confident68.6Low104 Ų10467.6 Ų67.649%0.48636%0.362SS..Hα-helixtrans-60.6-42.7177.9-78.7172.9173.200111.6T194 L200 C201T194-E197 PolarHBondContact O-N 3.32Å; T194-E197 WeakPolarHBondContact OG1-CB 3.4Å; T194-E197 VanDerWaalsContact OG1-CG 3.23Å; T194-E197 WeakPolarHBondContact OG1-CG 3.27Å; T194-E197 PolarHBondContact OG1-N 2.95Å; E197-L200 PolarHBondContact O-N 2.9Å; E197-C201 WeakPolarHBondContact O-CB 3.29Å; E197-C201 PolarHBondContact O-N 3.44Å
198L72.1Confident70.9Confident4 Ų471 Ų712%0.02138%0.38CS..Hα-helixtrans-72.6-37.3-179.2-161.7142.6000111.7L41 R45 L48 L193 T194 E196 L200 G202L41-L198 HydrophobicContact CB-CD2 3.91Å; L41-L198 HydrophobicContact CB-CG 4.45Å; L41-L198 HydrophobicContact CD2-CD1 4.33Å; L41-L198 HydrophobicContact CD2-CG 4.3Å; L41-L198 WeakPolarHBondContact O-CD2 3.23Å; R45-L198 HydrophobicContact CG-CD2 4.05Å; L48-L198 HydrophobicContact CB-CD1 3.72Å; L48-L198 HydrophobicContact CD1-CD1 4.36Å; L193-L198 HydrophobicContact CB-CB 4.19Å; L193-L198 HydrophobicContact CB-CD1 4.18Å; T194-L198 PolarHBondContact O-N 2.9Å; T194-L198 VanDerWaalsContact O-N 3.08Å; E196-L198 VanDerWaalsContact C-N 3.32Å; E196-L198 PolarHBondContact O-N 3.24Å; L198-L200 VanDerWaalsContact C-N 3.34Å; L198-G202 PolarHBondContact O-N 3.41Å
199A81.1Confident73.3Confident25 Ų2567.2 Ų67.221%0.20736%0.357CS..Hα-helixtrans-64.4-39.3170.800000111.9L42 S195 E196 S203L42-A199 HydrophobicContact CD2-CB 4.41Å; S195-A199 WeakPolarHBondContact O-CB 3.28Å; S195-A199 PolarHBondContact O-N 2.83Å; E196-A199 PolarHBondContact O-N 2.89Å; A199-S203 WeakPolarHBondContact O-CB 3.31Å; A199-S203 PolarHBondContact O-N 2.88Å
200L85.3Confident75.6Confident95 Ų9569 Ų6950%0.49737%0.371SS..Hα-helixtrans-66.5-46.5177.9-170.570.6000111.1E196 E197 L198 R204E196-L200 VanDerWaalsContact O-CB 3.28Å; E196-L200 WeakPolarHBondContact O-CB 3.39Å; E196-L200 PolarHBondContact O-N 3.19Å; E197-L200 PolarHBondContact O-N 2.9Å; L198-L200 VanDerWaalsContact C-N 3.34Å; L200-R204 WeakPolarHBondContact O-CB 3.49Å; L200-R204 WeakPolarHBondContact O-CG 3.36Å; L200-R204 PolarHBondContact O-N 3.15Å
201C84.3Confident78.2Confident58 Ų5873.6 Ų73.639%0.39239%0.389SS..Hα-helixtrans-63.5-51177-174.40000111.4E197 S203 R204 L205E197-C201 WeakPolarHBondContact O-CB 3.29Å; E197-C201 PolarHBondContact O-N 3.44Å; C201-S203 VanDerWaalsContact C-N 3.34Å; C201-S203 PolarHBondContact O-N 3.22Å; C201-R204 PolarHBondContact O-N 3.48Å; C201-L205 WeakPolarHBondContact O-CB 3.25Å; C201-L205 WeakPolarHBondContact O-CG 3.32Å; C201-L205 PolarHBondContact O-N 3.48Å
202G85.8Confident80.7Confident0 Ų069.9 Ų69.90%037%0.373CS..Hα-helixtrans-60-43.2178.100000112.5L198 L205 L206L198-G202 PolarHBondContact O-N 3.41Å; G202-L205 PolarHBondContact O-N 3.24Å; G202-L206 WeakPolarHBondContact O-CG 3.29Å; G202-L206 PolarHBondContact O-N 2.87Å
203S88.9Confident82.7Confident59 Ų5967.3 Ų67.341%0.41336%0.36SS..Hα-helixtrans-62.5-46.6175.5-178.40000111.9A199 C201 L205 L206 V207A199-S203 WeakPolarHBondContact O-CB 3.31Å; A199-S203 PolarHBondContact O-N 2.88Å; C201-S203 VanDerWaalsContact C-N 3.34Å; C201-S203 PolarHBondContact O-N 3.22Å; S203-L205 VanDerWaalsContact C-N 3.34Å; S203-L205 PolarHBondContact O-N 3.41Å; S203-L206 PolarHBondContact O-N 3.39Å; S203-V207 VanDerWaalsContact O-CG2 3.31Å; S203-V207 WeakPolarHBondContact O-CG2 3.5Å; S203-V207 PolarHBondContact O-N 2.92Å
204R92.5Very high84.8Confident168 Ų16870.1 Ų70.163%0.63438%0.375SS*.Hα-helixtrans-61.6-41.4177.5-75.3175.5-178.4-157.62112.3L200 C201 V207 L208L200-R204 WeakPolarHBondContact O-CB 3.49Å; L200-R204 WeakPolarHBondContact O-CG 3.36Å; L200-R204 PolarHBondContact O-N 3.15Å; C201-R204 PolarHBondContact O-N 3.48Å; R204-V207 PolarHBondContact O-N 2.93Å; R204-L208 VanDerWaalsContact O-CB 3.27Å; R204-L208 WeakPolarHBondContact O-CB 3.38Å; R204-L208 PolarHBondContact O-N 3.38Å
205L91.8Very high86.3Confident42 Ų4271.4 Ų71.422%0.2238%0.375CS..Hα-helixtrans-64.9-41176.3-77.3164.4000112.1L37 L41 C201 G202 S203 G209L37-L205 HydrophobicContact CD2-CD1 3.89Å; L37-L205 HydrophobicContact CD2-CD2 4.5Å; L37-L205 HydrophobicContact CG-CD1 4.09Å; L41-L205 HydrophobicContact CD1-CD1 3.52Å; C201-L205 WeakPolarHBondContact O-CB 3.25Å; C201-L205 WeakPolarHBondContact O-CG 3.32Å; C201-L205 PolarHBondContact O-N 3.48Å; G202-L205 PolarHBondContact O-N 3.24Å; S203-L205 VanDerWaalsContact C-N 3.34Å; S203-L205 PolarHBondContact O-N 3.41Å; L205-G209 PolarHBondContact O-N 2.79Å
206L91.7Very high87.6Confident54 Ų5467.6 Ų67.628%0.28335%0.348SS..Hα-helixtrans-64.2-45.7174.5-75.5-171.8000112.2L35 L42 G202 S203 G209 S210L35-L206 HydrophobicContact CD2-CD2 3.81Å; L35-L206 WeakPolarHBondContact O-CD2 3.48Å; L42-L206 HydrophobicContact CD1-CD1 3.31Å; L42-L206 HydrophobicContact CD1-CG 4.03Å; G202-L206 WeakPolarHBondContact O-CG 3.29Å; G202-L206 PolarHBondContact O-N 2.87Å; S203-L206 PolarHBondContact O-N 3.39Å; L206-G209 PolarHBondContact O-N 3.22Å; L206-S210 VanDerWaalsContact O-CB 3.23Å; L206-S210 WeakPolarHBondContact O-CB 3.34Å; L206-S210 PolarHBondContact O-N 2.85Å
207V92.7Very high88.4Confident97 Ų9762 Ų6259%0.58833%0.331SS*.Hα-helixtrans-63-48.1179.4171.30000110.4S203 R204 S210 F211S203-V207 VanDerWaalsContact O-CG2 3.31Å; S203-V207 WeakPolarHBondContact O-CG2 3.5Å; S203-V207 PolarHBondContact O-N 2.92Å; R204-V207 PolarHBondContact O-N 2.93Å; V207-S210 PolarHBondContact O-N 3.01Å; V207-F211 WeakPolarHBondContact O-CB 3.08Å; V207-F211 PolarHBondContact O-N 3.36Å
208L93.5Very high89.2Confident98 Ų9862.3 Ų62.351%0.51334%0.336SS..Hα-helixtrans-63.6-44.9177.9-173.968.3000111.2R204 S210 F211 L212R204-L208 VanDerWaalsContact O-CB 3.27Å; R204-L208 WeakPolarHBondContact O-CB 3.38Å; R204-L208 PolarHBondContact O-N 3.38Å; L208-S210 PolarHBondContact O-N 2.96Å; L208-F211 PolarHBondContact O-N 2.96Å; L208-L212 HydrophobicContact CG-CD1 4.38Å; L208-L212 VanDerWaalsContact O-CG 3.28Å; L208-L212 WeakPolarHBondContact O-CG 3.47Å; L208-L212 PolarHBondContact O-N 3.43Å
209G92.6Very high89.8Confident1 Ų165.2 Ų65.21%0.0135%0.351CS..Hα-helixtrans-61.4-44.4178.400000112.7L205 L206 L212 L213L205-G209 PolarHBondContact O-N 2.79Å; L206-G209 PolarHBondContact O-N 3.22Å; G209-L212 PolarHBondContact O-N 3.34Å; G209-L213 WeakPolarHBondContact O-CG 3.36Å; G209-L213 PolarHBondContact O-N 3.3Å; G209-L213 VanDerWaalsContact O-N 3.11Å
210S92.6Very high89.7Confident56 Ų5666.5 Ų66.539%0.39236%0.358SS..Hα-helixtrans-62.9-45.6174.8-176.90000112L206 V207 L208 L212 L213 L214L206-S210 VanDerWaalsContact O-CB 3.23Å; L206-S210 WeakPolarHBondContact O-CB 3.34Å; L206-S210 PolarHBondContact O-N 2.85Å; V207-S210 PolarHBondContact O-N 3.01Å; L208-S210 PolarHBondContact O-N 2.96Å; S210-L212 VanDerWaalsContact C-N 3.34Å; S210-L212 PolarHBondContact O-N 3.35Å; S210-L213 PolarHBondContact O-N 3.26Å; S210-L214 WeakPolarHBondContact O-CG 3.3Å; S210-L214 PolarHBondContact O-N 3.01Å
211F94.1Very high89.6Confident129 Ų12965.8 Ų65.857%0.56636%0.36SS*.Hα-helixtrans-59-44.4177.1178.7-96.5000112.1V207 L208 L213 L214 F215V207-F211 WeakPolarHBondContact O-CB 3.08Å; V207-F211 PolarHBondContact O-N 3.36Å; L208-F211 PolarHBondContact O-N 2.96Å; F211-L213 PolarHBondContact O-N 3.46Å; F211-L214 PolarHBondContact O-N 2.98Å; F211-F215 WeakPolarHBondContact O-CB 3.34Å; F211-F215 PolarHBondContact O-N 2.9Å
212L93.2Very high89.3Confident22 Ų2267.2 Ų67.212%0.11537%0.366CS..Hα-helixtrans-62.7-40.8177.5-72.4177.9000112.5L27 L30 L208 G209 S210 C216L27-L212 HydrophobicContact CD2-CD2 3.88Å; L30-L212 HydrophobicContact CB-CD1 4.09Å; L30-L212 HydrophobicContact CD2-CD1 3.62Å; L30-L212 HydrophobicContact CG-CD1 3.69Å; L208-L212 HydrophobicContact CG-CD1 4.38Å; L208-L212 VanDerWaalsContact O-CG 3.28Å; L208-L212 WeakPolarHBondContact O-CG 3.47Å; L208-L212 PolarHBondContact O-N 3.43Å; G209-L212 PolarHBondContact O-N 3.34Å; S210-L212 VanDerWaalsContact C-N 3.34Å; S210-L212 PolarHBondContact O-N 3.35Å; L212-C216 VanDerWaalsContact O-CB 3.25Å; L212-C216 WeakPolarHBondContact O-CB 3.11Å; L212-C216 PolarHBondContact O-N 3.31Å
213L93Very high88.5Confident44 Ų4468.5 Ų68.523%0.2337%0.374CS..Hα-helixtrans-69-40.3177.4-70.9171.2000112.3L28 L32 L35 G209 S210 F211 C216 G217L28-L213 HydrophobicContact CD1-CD2 4.35Å; L28-L213 HydrophobicContact CG-CD2 4.38Å; L32-L213 HydrophobicContact CD2-CD1 4.37Å; L32-L213 HydrophobicContact CD2-CD2 4.47Å; L32-L213 HydrophobicContact CG-CD2 4.31Å; L35-L213 HydrophobicContact CD1-CD1 3.29Å; L35-L213 HydrophobicContact CG-CD1 4.06Å; G209-L213 WeakPolarHBondContact O-CG 3.36Å; G209-L213 PolarHBondContact O-N 3.3Å; G209-L213 VanDerWaalsContact O-N 3.11Å; S210-L213 PolarHBondContact O-N 3.26Å; F211-L213 PolarHBondContact O-N 3.46Å; L213-C216 PolarHBondContact O-N 3.48Å; L213-G217 PolarHBondContact O-N 2.98Å
214L93.2Very high87.6Confident114 Ų11468.7 Ų68.760%0.59738%0.38SS*.Hα-helixtrans-63-46.4174.2-72.8173.7000111.1S210 F211 C216 G217 L218S210-L214 WeakPolarHBondContact O-CG 3.3Å; S210-L214 PolarHBondContact O-N 3.01Å; F211-L214 PolarHBondContact O-N 2.98Å; L214-C216 VanDerWaalsContact C-N 3.34Å; L214-C216 PolarHBondContact O-N 2.88Å; L214-G217 PolarHBondContact O-N 2.95Å; L214-L218 WeakPolarHBondContact O-CG 3.38Å; L214-L218 PolarHBondContact O-N 3.35Å
215F91.4Very high86.6Confident92 Ų9267.5 Ų67.540%0.40438%0.383SS..Hα-helixtrans-61.4-43.3176.5-174.6-105.4000111.5L27 F211 G217 L218 L219L27-F215 HydrophobicContact CD1-CD1 4.18Å; L27-F215 HydrophobicContact CD1-CE1 4.34Å; F211-F215 WeakPolarHBondContact O-CB 3.34Å; F211-F215 PolarHBondContact O-N 2.9Å; F215-G217 PolarHBondContact O-N 3.21Å; F215-L218 PolarHBondContact O-N 3.45Å; F215-L219 HydrophobicContact CD1-CD1 3.87Å; F215-L219 HydrophobicContact CD1-CG 4.35Å; F215-L219 HydrophobicContact CE1-CD1 3.49Å; F215-L219 VanDerWaalsContact CE1-CD1 3.49Å; F215-L219 HydrophobicContact CE1-CD2 4.46Å; F215-L219 HydrophobicContact CE1-CG 4.06Å; F215-L219 HydrophobicContact CZ-CD1 4.1Å; F215-L219 HydrophobicContact CZ-CD2 4.24Å; F215-L219 HydrophobicContact CZ-CG 4.25Å; F215-L219 WeakPolarHBondContact O-CG 3.36Å; F215-L219 PolarHBondContact O-N 3.32Å
216C89.1Confident85.2Confident6 Ų670.2 Ų70.24%0.04140%0.404CS..Hα-helixtrans-60.4-44.4173.9-171.70000111.9L27 L212 L213 L214 L219 C220L27-C216 HydrophobicContact CB-CB 4.38Å; L212-C216 VanDerWaalsContact O-CB 3.25Å; L212-C216 WeakPolarHBondContact O-CB 3.11Å; L212-C216 PolarHBondContact O-N 3.31Å; L213-C216 PolarHBondContact O-N 3.48Å; L214-C216 VanDerWaalsContact C-N 3.34Å; L214-C216 PolarHBondContact O-N 2.88Å; C216-L219 PolarHBondContact O-N 3.29Å; C216-C220 PolarHBondContact O-N 3.22Å; C216-C220 PolarHBondContact O-SG 3.29Å
217G87.1Confident83.5Confident33 Ų3372.4 Ų72.434%0.3441%0.412SS..Hα-helixtrans-61.4-42.6176.200000112.4L213 L214 F215 C220 C221L213-G217 PolarHBondContact O-N 2.98Å; L214-G217 PolarHBondContact O-N 2.95Å; F215-G217 PolarHBondContact O-N 3.21Å; G217-C220 PolarHBondContact O-N 3.45Å; G217-C221 PolarHBondContact O-N 3.31Å; G217-C221 PolarHBondContact O-SG 3.45Å
218L87.9Confident81.5Confident112 Ų11274.3 Ų74.359%0.58641%0.414SS*.Hα-helixtrans-62.3-45.2175.3-73.3170.1000112L214 F215 C220 C221 V222L214-L218 WeakPolarHBondContact O-CG 3.38Å; L214-L218 PolarHBondContact O-N 3.35Å; F215-L218 PolarHBondContact O-N 3.45Å; L218-C220 VanDerWaalsContact C-N 3.33Å; L218-C220 PolarHBondContact O-N 2.8Å; L218-C221 PolarHBondContact O-N 2.92Å; L218-V222 WeakPolarHBondContact O-CG2 3.36Å; L218-V222 PolarHBondContact O-N 2.97Å
219L83.2Confident79.5Confident64 Ų6473.5 Ų73.534%0.33542%0.415SS..Hα-helixtrans-58.6-45.4175.2-71.4176.7000111.4L27 F215 C216 C221 V222 T223L27-L219 HydrophobicContact CD1-CD1 4.14Å; F215-L219 HydrophobicContact CD1-CD1 3.87Å; F215-L219 HydrophobicContact CD1-CG 4.35Å; F215-L219 HydrophobicContact CE1-CD1 3.49Å; F215-L219 VanDerWaalsContact CE1-CD1 3.49Å; F215-L219 HydrophobicContact CE1-CD2 4.46Å; F215-L219 HydrophobicContact CE1-CG 4.06Å; F215-L219 HydrophobicContact CZ-CD1 4.1Å; F215-L219 HydrophobicContact CZ-CD2 4.24Å; F215-L219 HydrophobicContact CZ-CG 4.25Å; F215-L219 WeakPolarHBondContact O-CG 3.36Å; F215-L219 PolarHBondContact O-N 3.32Å; C216-L219 PolarHBondContact O-N 3.29Å; L219-C221 PolarHBondContact O-N 3.28Å; L219-V222 PolarHBondContact O-N 3.1Å; L219-T223 WeakPolarHBondContact O-CG2 3.46Å; L219-T223 PolarHBondContact O-N 3.47Å; L219-T223 PolarHBondContact O-OG1 3.3Å
220C80.4Confident77.3Confident53 Ų5384.7 Ų84.736%0.35846%0.456SS..Hα-helixtrans-59.9-44.3175.3-69.40000111.9C216 G217 L218 T223 A224C216-C220 PolarHBondContact O-N 3.22Å; C216-C220 PolarHBondContact O-SG 3.29Å; G217-C220 PolarHBondContact O-N 3.45Å; L218-C220 VanDerWaalsContact C-N 3.33Å; L218-C220 PolarHBondContact O-N 2.8Å; C220-T223 PolarHBondContact O-N 3.43Å; C220-T223 PolarHBondContact O-OG1 3.33Å; C220-A224 WeakPolarHBondContact O-CB 3.35Å; C220-A224 PolarHBondContact O-N 3.1Å
221C82Confident75.1Confident79 Ų7993.4 Ų93.453%0.53448%0.481SS..Hα-helixtrans-62.1-45.8176.5-70.80000112.4G217 L218 L219 T223 A224 M225G217-C221 PolarHBondContact O-N 3.31Å; G217-C221 PolarHBondContact O-SG 3.45Å; L218-C221 PolarHBondContact O-N 2.92Å; L219-C221 PolarHBondContact O-N 3.28Å; C221-T223 VanDerWaalsContact C-N 3.34Å; C221-T223 PolarHBondContact O-N 3.27Å; C221-A224 PolarHBondContact O-N 3.37Å; C221-M225 VanDerWaalsContact O-CG 3.27Å; C221-M225 WeakPolarHBondContact O-CG 3.33Å; C221-M225 PolarHBondContact O-N 2.99Å
222V78.3Confident72.7Confident88 Ų8896 Ų9653%0.53349%0.494SS..Hα-helixtrans-61.4-44.8178.9171.90000110.5L218 L219 A224 M225 C226L218-V222 WeakPolarHBondContact O-CG2 3.36Å; L218-V222 PolarHBondContact O-N 2.97Å; L219-V222 PolarHBondContact O-N 3.1Å; V222-A224 PolarHBondContact O-N 2.9Å; V222-M225 PolarHBondContact O-N 3.46Å; V222-C226 WeakPolarHBondContact O-CB 3.46Å; V222-C226 PolarHBondContact O-N 3.47Å; V222-C226 PolarHBondContact O-SG 3.29Å
223T70.3Confident70.4Confident27 Ų27100.4 Ų100.417%0.16653%0.528CS..Hα-helixtrans-61.5-45.1175.959.10000111.6L20 L219 C220 C221 M225 C226 F227L20-T223 HydrophobicContact CD1-CG2 4.29Å; L20-T223 HydrophobicContact CD2-CG2 4.2Å; L219-T223 WeakPolarHBondContact O-CG2 3.46Å; L219-T223 PolarHBondContact O-N 3.47Å; L219-T223 PolarHBondContact O-OG1 3.3Å; C220-T223 PolarHBondContact O-N 3.43Å; C220-T223 PolarHBondContact O-OG1 3.33Å; C221-T223 VanDerWaalsContact C-N 3.34Å; C221-T223 PolarHBondContact O-N 3.27Å; T223-M225 VanDerWaalsContact C-N 3.28Å; T223-M225 PolarHBondContact O-N 3.48Å; T223-C226 PolarHBondContact O-N 3.25Å; T223-F227 WeakPolarHBondContact O-CB 3.43Å; T223-F227 WeakPolarHBondContact O-CD2 3.48Å; T223-F227 PolarHBondContact O-N 2.97Å
224A68.5Low68.1Low64 Ų64105.7 Ų105.753%0.52955%0.551SS.*Hα-helixtrans-60.2-36.8177.500000113.1C220 C221 V222 H228C220-A224 WeakPolarHBondContact O-CB 3.35Å; C220-A224 PolarHBondContact O-N 3.1Å; C221-A224 PolarHBondContact O-N 3.37Å; V222-A224 PolarHBondContact O-N 2.9Å; A224-H228 PolarHBondContact O-N 3.29Å
225M71.3Confident66.1Low143 Ų143112.3 Ų112.370%0.70457%0.568SS**Hα-helixtrans-74.2-41.9177.7-66.8-63.1-70.300112.4C221 V222 T223 F227 H228C221-M225 VanDerWaalsContact O-CG 3.27Å; C221-M225 WeakPolarHBondContact O-CG 3.33Å; C221-M225 PolarHBondContact O-N 2.99Å; V222-M225 PolarHBondContact O-N 3.46Å; T223-M225 VanDerWaalsContact C-N 3.28Å; T223-M225 PolarHBondContact O-N 3.48Å; M225-F227 VanDerWaalsContact C-N 3.32Å; M225-F227 PolarHBondContact O-N 2.89Å; M225-H228 PolarHBondContact O-N 3.35Å
226C63.3Low64.1Low99 Ų99111.6 Ų111.667%0.66957%0.574SS**Hα-helixtrans-67.9-31178.6-69.60000112.8V222 T223V222-C226 WeakPolarHBondContact O-CB 3.46Å; V222-C226 PolarHBondContact O-N 3.47Å; V222-C226 PolarHBondContact O-SG 3.29Å; T223-C226 PolarHBondContact O-N 3.25Å
227F56.4Low62.1Low99 Ų99122.5 Ų122.543%0.43462%0.615SS.*THydrogen-bonded Turntrans-95.911.1178.4-67.9-70.1000113.7C13 T223 M225 P229C13-F227 HydrophobicContact CB-CD2 4.42Å; C13-F227 VanDerWaalsContact SG-CD2 3.58Å; C13-F227 WeakPolarHBondContact SG-CE2 3.27Å; T223-F227 WeakPolarHBondContact O-CB 3.43Å; T223-F227 WeakPolarHBondContact O-CD2 3.48Å; T223-F227 PolarHBondContact O-N 2.97Å; M225-F227 VanDerWaalsContact C-N 3.32Å; M225-F227 PolarHBondContact O-N 2.89Å; F227-P229 VanDerWaalsContact O-CD 3.28Å; F227-P229 WeakPolarHBondContact O-CD 3.28Å; F227-P229 VanDerWaalsContact O-N 3.07Å
228H50.4Low60.4Low138 Ų138127 Ų12764%0.63964%0.635SS**SBendtrans-62.3116171.9-147.7-68.7000107.9A224 M225 R230A224-H228 PolarHBondContact O-N 3.29Å; M225-H228 PolarHBondContact O-N 3.35Å; H228-R230 PolarHBondContact O-N 2.88Å
229P50.9Low58.6Low81 Ų81133.1 Ų133.153%0.52665%0.651SS.*  trans-63116.9-17424.7-31.8000107F227 R231F227-P229 VanDerWaalsContact O-CD 3.28Å; F227-P229 WeakPolarHBondContact O-CD 3.28Å; F227-P229 VanDerWaalsContact O-N 3.07Å; P229-R231 PolarHBondContact O-N 2.97Å
230R46.8Very low56.8Low235 Ų235141.9 Ų141.989%0.88770%0.697SS**  trans-52.8107.7167.1-169.5177.6-170.4174.52.4105.1H228 E232H228-R230 PolarHBondContact O-N 2.88Å; R230-E232 VanDerWaalsContact C-N 3.32Å; R230-E232 PolarHBondContact O-N 2.76Å
231R46Very low55.6Low240 Ų240146.4 Ų146.491%0.90671%0.714SS**  trans-54.296.8-177.5-169.9-179.1-167.8-174.23.5107.6P229 S233P229-R231 PolarHBondContact O-N 2.97Å; R231-S233 PolarHBondContact O-N 2.95Å
232E44.6Very low54.2Low182 Ų182149.9 Ų149.985%0.8572%0.723SS**  trans-62.8100.3178.4-88.2168.3162.800107.9R230 H234R230-E232 VanDerWaalsContact C-N 3.32Å; R230-E232 PolarHBondContact O-N 2.76Å; E232-H234 PolarHBondContact O-N 2.93Å
233S43.4Very low52.9Low116 Ų116153.3 Ų153.381%0.81173%0.734SS**  trans-70.674.5166.153.30000108.3R231R231-S233 PolarHBondContact O-N 2.95Å
234H45.7Very low51.8Low155 Ų155160.8 Ų160.872%0.71877%0.767SS**  trans-144.566.1171.5-153.1-90.3000110.3E232 S236E232-H234 PolarHBondContact O-N 2.93Å; H234-S236 PolarHBondContact O-N 2.88Å
235W50.2Low50.8Low253 Ų253166.8 Ų166.896%0.95878%0.782SS**  trans-68.794155.4-87.989000107.8R237W235-R237 PolarHBondContact O-N 3.36Å
236S50.4Low49.4Very low77 Ų77168.4 Ų168.454%0.53879%0.787SS.*  trans-36.1118.4161.340.30000113H234 T238H234-S236 PolarHBondContact O-N 2.88Å; S236-T238 PolarHBondContact O-N 3.32Å
237R48Very low48.4Very low235 Ų235173.4 Ų173.489%0.88780%0.796SS**  trans-27.3116138.6-179.9-172.1-65.1175.3-1.3111.1W235W235-R237 PolarHBondContact O-N 3.36Å
238T50Low47.8Very low126 Ų126179.1 Ų179.177%0.77382%0.823SS**  trans166.8106.8135.639.10000110.2S236S236-T238 PolarHBondContact O-N 3.32Å
239R50.9Low47.6Very low242 Ų242182.5 Ų182.591%0.91384%0.839SS**  trans-153.3118.5140.8-100.8-165.9-118.3-155.20.7107.2
240L44.4Very low47.3Very low248 Ų248191.7 Ų191.7100%1.29887%0.867SS**  trans32.70166-74101.3000118.5

Retrieved 240 of 240 residues in 502.4 ms (Link to these results)