A0A096NFW6_PAPAN Loading...

NADH-cytochrome b5 reductase

AlphaFold DB (A0A2K5LV37), UniProt , Accession A0A096NFW6, Species PAPAN (Papio anubis, Olive baboon), Gene CYB5R2, Length 305 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
1M44.2Very low56.9Low241 Ų241126.7 Ų126.7100%1.18771%0.708SS**  0113.90-93.6178.8166.100108.3
2L41.8Very low58.1Low172 Ų172125.7 Ų125.790%0.90170%0.699SS**  trans-174.281.9146.3-97.3166000105.1V4L2-V4 PolarHBondContact O-N 3.42Å
3G47.9Very low59.4Low79 Ų79125.4 Ų125.481%0.81469%0.694SS**  trans-80.4107.1173.300000108.4S5G3-S5 PolarHBondContact O-N 3.28Å
4V52.2Low60.5Low120 Ų120121.9 Ų121.973%0.72768%0.678SS**  trans-72.3113.9171.8-179.60000107.5L2 L6L2-V4 PolarHBondContact O-N 3.42Å; V4-L6 PolarHBondContact O-N 3.26Å
5S51Low61.9Low83 Ų83121.1 Ų121.158%0.5867%0.671SS**  trans-69.5116.6178.5-1790000110G3 R7G3-S5 PolarHBondContact O-N 3.28Å; S5-R7 PolarHBondContact O-N 2.65Å
6L55.8Low63Low148 Ų148118.8 Ų118.878%0.77566%0.66SS**THydrogen-bonded Turntrans-68.914.9175.7-80.2152000114V4V4-L6 PolarHBondContact O-N 3.26Å
7R58.8Low64.3Low230 Ų230116.6 Ų116.687%0.86865%0.651SS**THydrogen-bonded Turntrans-11324.2-177.8-69-172.6178.7-174.90113.5S5 P9S5-R7 PolarHBondContact O-N 2.65Å; R7-P9 WeakPolarHBondContact O-CD 3.38Å
8D66.4Low65.5Low79 Ų79115.6 Ų115.642%0.42264%0.643SS.*  trans-86.2113.1170.3-168.9-24.4000109.6S10 L11 L12D8-S10 PolarHBondContact O-N 2.9Å; D8-S10 VanDerWaalsContact O-N 3.16Å; D8-S10 VanDerWaalsContact OD1-CB 3.31Å; D8-S10 WeakPolarHBondContact OD1-CB 3.45Å; D8-S10 PolarHBondContact OD1-N 3.46Å; D8-S10 PolarHBondContact OD1-OG 2.85Å; D8-S10 PolarHBondContact OD2-OG 3.48Å; D8-L11 HydrophobicContact CB-CB 4.08Å; D8-L11 WeakPolarHBondContact O-CB 3.35Å; D8-L11 PolarHBondContact O-N 3.17Å; D8-L11 VanDerWaalsContact O-N 3.09Å; D8-L12 PolarHBondContact O-N 3.17Å
9P67.8Low66.5Low103 Ų103111.7 Ų111.767%0.66963%0.632SS**Hα-helixtrans-57.8-28.2178.9-20.331.8000112.8R7 L12 L13R7-P9 WeakPolarHBondContact O-CD 3.38Å; P9-L12 PolarHBondContact O-N 3.29Å; P9-L13 PolarHBondContact O-N 3.17Å; P9-L13 VanDerWaalsContact O-N 3.07Å
10S69.6Low67.5Low65 Ų65110.3 Ų110.346%0.45563%0.625SS.*Hα-helixtrans-71.3-34.2178.871.20000112.3D8 T14D8-S10 PolarHBondContact O-N 2.9Å; D8-S10 VanDerWaalsContact O-N 3.16Å; D8-S10 VanDerWaalsContact OD1-CB 3.31Å; D8-S10 WeakPolarHBondContact OD1-CB 3.45Å; D8-S10 PolarHBondContact OD1-N 3.46Å; D8-S10 PolarHBondContact OD1-OG 2.85Å; D8-S10 PolarHBondContact OD2-OG 3.48Å; S10-T14 WeakPolarHBondContact O-CB 3.33Å; S10-T14 PolarHBondContact O-N 2.66Å; S10-T14 PolarHBondContact O-OG1 2.92Å
11L70.3Confident68.3Low74 Ų74108.4 Ų108.439%0.38762%0.617SS.*Hα-helixtrans-68.1-41.9175.3-159.882.3000110.8D8 T14 I15D8-L11 HydrophobicContact CB-CB 4.08Å; D8-L11 WeakPolarHBondContact O-CB 3.35Å; D8-L11 PolarHBondContact O-N 3.17Å; D8-L11 VanDerWaalsContact O-N 3.09Å; L11-T14 PolarHBondContact O-N 2.82Å; L11-I15 HydrophobicContact CG-CD1 4.33Å; L11-I15 VanDerWaalsContact O-CG1 3.3Å; L11-I15 WeakPolarHBondContact O-CG1 3.45Å; L11-I15 PolarHBondContact O-N 3.3Å
12L71.7Confident70.4Confident114 Ų114100.7 Ų100.760%0.59758%0.583SS**Hα-helixtrans-64.9-41.4177.8-133.2103.5000111.9D8 P9 T14 T16D8-L12 PolarHBondContact O-N 3.17Å; P9-L12 PolarHBondContact O-N 3.29Å; L12-T14 VanDerWaalsContact C-N 3.34Å; L12-T16 WeakPolarHBondContact O-CB 3.22Å; L12-T16 PolarHBondContact O-N 3.22Å; L12-T16 PolarHBondContact O-OG1 3.35Å
13L74.3Confident72.3Confident122 Ų12297.4 Ų97.464%0.63957%0.566SS**Hα-helixtrans-62.6-43.8175.4-158.690000110.7P9 T16 V17P9-L13 PolarHBondContact O-N 3.17Å; P9-L13 VanDerWaalsContact O-N 3.07Å; L13-T16 PolarHBondContact O-N 3.02Å; L13-V17 VanDerWaalsContact O-CG2 3.31Å; L13-V17 WeakPolarHBondContact O-CG2 3.37Å; L13-V17 PolarHBondContact O-N 2.94Å
14T75.2Confident74Confident77 Ų7797.4 Ų97.447%0.47255%0.55SS..Hα-helixtrans-64.7-44-179.2-55.60000111.7S10 L11 L12 T16 V17 I18S10-T14 WeakPolarHBondContact O-CB 3.33Å; S10-T14 PolarHBondContact O-N 2.66Å; S10-T14 PolarHBondContact O-OG1 2.92Å; L11-T14 PolarHBondContact O-N 2.82Å; L12-T14 VanDerWaalsContact C-N 3.34Å; T14-T16 VanDerWaalsContact C-N 3.33Å; T14-T16 PolarHBondContact O-N 2.94Å; T14-V17 PolarHBondContact O-N 3.23Å; T14-I18 HydrophobicContact CG2-CD1 3.95Å; T14-I18 VanDerWaalsContact O-CG1 3.28Å; T14-I18 WeakPolarHBondContact O-CG1 3.38Å; T14-I18 PolarHBondContact O-N 3.17Å
15I81.1Confident75.3Confident110 Ų11096.8 Ų96.856%0.56454%0.541SS*.Hα-helixtrans-62-41.5175.8-67.8165.5000111L11 I18 G19L11-I15 HydrophobicContact CG-CD1 4.33Å; L11-I15 VanDerWaalsContact O-CG1 3.3Å; L11-I15 WeakPolarHBondContact O-CG1 3.45Å; L11-I15 PolarHBondContact O-N 3.3Å; I15-I18 PolarHBondContact O-N 2.96Å; I15-G19 PolarHBondContact O-N 3.23Å
16T80.4Confident76.6Confident83 Ų8396 Ų9651%0.50953%0.533SS..Hα-helixtrans-65.7-44.8179.1-50.90000111.3L12 L13 T14 I18 G19 V20L12-T16 WeakPolarHBondContact O-CB 3.22Å; L12-T16 PolarHBondContact O-N 3.22Å; L12-T16 PolarHBondContact O-OG1 3.35Å; L13-T16 PolarHBondContact O-N 3.02Å; T14-T16 VanDerWaalsContact C-N 3.33Å; T14-T16 PolarHBondContact O-N 2.94Å; T16-I18 PolarHBondContact O-N 3.44Å; T16-G19 PolarHBondContact O-N 2.83Å; T16-V20 WeakPolarHBondContact O-CG2 3.28Å; T16-V20 PolarHBondContact O-N 3.23Å
17V85.1Confident77.4Confident82 Ų8293.7 Ų93.750%0.49752%0.521SS..Hα-helixtrans-62.7-43.2177.6171.40000111.2L13 T14 T21L13-V17 VanDerWaalsContact O-CG2 3.31Å; L13-V17 WeakPolarHBondContact O-CG2 3.37Å; L13-V17 PolarHBondContact O-N 2.94Å; T14-V17 PolarHBondContact O-N 3.23Å; V17-T21 WeakPolarHBondContact O-CB 3.46Å; V17-T21 PolarHBondContact O-N 3.37Å; V17-T21 PolarHBondContact O-OG1 3.35Å
18I85Confident77.8Confident98 Ų9890.2 Ų90.250%0.50351%0.512SS..Hα-helixtrans-63.3-46.6176.1-67.6167.6000110.4T14 I15 T16 V20 T21 V22T14-I18 HydrophobicContact CG2-CD1 3.95Å; T14-I18 VanDerWaalsContact O-CG1 3.28Å; T14-I18 WeakPolarHBondContact O-CG1 3.38Å; T14-I18 PolarHBondContact O-N 3.17Å; I15-I18 PolarHBondContact O-N 2.96Å; T16-I18 PolarHBondContact O-N 3.44Å; I18-V20 PolarHBondContact O-N 2.87Å; I18-T21 PolarHBondContact O-N 2.86Å; I18-V22 HydrophobicContact CG2-CG2 4.25Å; I18-V22 WeakPolarHBondContact O-CB 3.39Å; I18-V22 WeakPolarHBondContact O-CG2 3.27Å; I18-V22 PolarHBondContact O-N 2.78Å
19G85.2Confident77.6Confident43 Ų4390.7 Ų90.744%0.44352%0.522SS..Hα-helixtrans-59.4-45.1178.900000112.9I15 T16 L23I15-G19 PolarHBondContact O-N 3.23Å; T16-G19 PolarHBondContact O-N 2.83Å; G19-L23 VanDerWaalsContact O-CB 3.29Å; G19-L23 WeakPolarHBondContact O-CB 3.42Å; G19-L23 PolarHBondContact O-N 2.91Å
20V86.4Confident77.3Confident82 Ų8292.8 Ų92.850%0.49752%0.524SS..Hα-helixtrans-65.2-41.5175.5172.70000111.1T16 I18 L23 V24T16-V20 WeakPolarHBondContact O-CG2 3.28Å; T16-V20 PolarHBondContact O-N 3.23Å; I18-V20 PolarHBondContact O-N 2.87Å; V20-L23 PolarHBondContact O-N 2.66Å; V20-V24 HydrophobicContact CG1-CG2 4.31Å; V20-V24 WeakPolarHBondContact O-CB 3.33Å; V20-V24 VanDerWaalsContact O-CG2 3.26Å; V20-V24 WeakPolarHBondContact O-CG2 3.42Å; V20-V24 PolarHBondContact O-N 3.15Å
21T85Confident76.5Confident72 Ų7295.9 Ų95.944%0.44254%0.536SS..Hα-helixtrans-65.7-44.1-179.9-54.40000111.4V17 I18 V24 L25V17-T21 WeakPolarHBondContact O-CB 3.46Å; V17-T21 PolarHBondContact O-N 3.37Å; V17-T21 PolarHBondContact O-OG1 3.35Å; I18-T21 PolarHBondContact O-N 2.86Å; T21-V24 PolarHBondContact O-N 3.24Å; T21-L25 HydrophobicContact CG2-CD1 4.18Å; T21-L25 WeakPolarHBondContact O-CB 3.46Å; T21-L25 VanDerWaalsContact O-CG 3.27Å; T21-L25 WeakPolarHBondContact O-CG 3.32Å; T21-L25 PolarHBondContact O-N 3.28Å
22V86.5Confident75.5Confident79 Ų7996 Ų9648%0.47954%0.543SS..Hα-helixtrans-63-44.1175.1172.50000110.4I18 V24 L25 V26I18-V22 HydrophobicContact CG2-CG2 4.25Å; I18-V22 WeakPolarHBondContact O-CB 3.39Å; I18-V22 WeakPolarHBondContact O-CG2 3.27Å; I18-V22 PolarHBondContact O-N 2.78Å; V22-V24 PolarHBondContact O-N 3.01Å; V22-L25 PolarHBondContact O-N 2.84Å; V22-V26 HydrophobicContact CG1-CG2 4.25Å; V22-V26 WeakPolarHBondContact O-CB 3.37Å; V22-V26 VanDerWaalsContact O-CG2 3.26Å; V22-V26 WeakPolarHBondContact O-CG2 3.38Å; V22-V26 PolarHBondContact O-N 2.8Å
23L83.1Confident74.6Confident103 Ų103101.2 Ų101.254%0.53956%0.555SS.*Hα-helixtrans-61.8-43.3177-175.565.8000111.7G19 V20 V26 L27G19-L23 VanDerWaalsContact O-CB 3.29Å; G19-L23 WeakPolarHBondContact O-CB 3.42Å; G19-L23 PolarHBondContact O-N 2.91Å; V20-L23 PolarHBondContact O-N 2.66Å; L23-V26 PolarHBondContact O-N 3.15Å; L23-L27 HydrophobicContact CD1-CD1 4.38Å; L23-L27 HydrophobicContact CD1-CG 4.42Å; L23-L27 HydrophobicContact CG-CD1 3.99Å; L23-L27 HydrophobicContact CG-CG 4.44Å; L23-L27 VanDerWaalsContact O-CB 3.3Å; L23-L27 WeakPolarHBondContact O-CB 3.4Å; L23-L27 WeakPolarHBondContact O-CG 3.45Å; L23-L27 PolarHBondContact O-N 3.02Å
24V82.5Confident73.8Confident79 Ų79104.6 Ų104.648%0.47956%0.564SS.*Hα-helixtrans-63.5-41.2175.31690000111.1V20 T21 V22 L27 K28V20-V24 HydrophobicContact CG1-CG2 4.31Å; V20-V24 WeakPolarHBondContact O-CB 3.33Å; V20-V24 VanDerWaalsContact O-CG2 3.26Å; V20-V24 WeakPolarHBondContact O-CG2 3.42Å; V20-V24 PolarHBondContact O-N 3.15Å; T21-V24 PolarHBondContact O-N 3.24Å; V22-V24 PolarHBondContact O-N 3.01Å; V24-L27 PolarHBondContact O-N 2.87Å; V24-K28 WeakPolarHBondContact O-CB 3.37Å; V24-K28 PolarHBondContact O-N 3.38Å
25L79.3Confident73.6Confident106 Ų106112.6 Ų112.656%0.55559%0.586SS**Hα-helixtrans-66.7-40.6176.8-73.6171.1000112.1T21 V22 K28 S29T21-L25 HydrophobicContact CG2-CD1 4.18Å; T21-L25 WeakPolarHBondContact O-CB 3.46Å; T21-L25 VanDerWaalsContact O-CG 3.27Å; T21-L25 WeakPolarHBondContact O-CG 3.32Å; T21-L25 PolarHBondContact O-N 3.28Å; V22-L25 PolarHBondContact O-N 2.84Å; L25-K28 PolarHBondContact O-N 2.93Å; L25-S29 WeakPolarHBondContact O-CB 3.39Å; L25-S29 PolarHBondContact O-N 3.48Å
26V78.9Confident73.6Confident68 Ų68111.3 Ų111.341%0.41258%0.577SS.*Hα-helixtrans-65.7-46.3175.1170.10000110.2V22 L23 K28 S29 M30V22-V26 HydrophobicContact CG1-CG2 4.25Å; V22-V26 WeakPolarHBondContact O-CB 3.37Å; V22-V26 VanDerWaalsContact O-CG2 3.26Å; V22-V26 WeakPolarHBondContact O-CG2 3.38Å; V22-V26 PolarHBondContact O-N 2.8Å; L23-V26 PolarHBondContact O-N 3.15Å; V26-K28 VanDerWaalsContact C-N 3.33Å; V26-K28 PolarHBondContact O-N 3.43Å; V26-S29 PolarHBondContact O-N 2.9Å; V26-M30 HydrophobicContact CG1-CG 4.27Å; V26-M30 HydrophobicContact CG1-SD 3.67Å; V26-M30 WeakPolarHBondContact O-CB 3.31Å; V26-M30 WeakPolarHBondContact O-CG 3.47Å; V26-M30 PolarHBondContact O-N 2.77Å
27L73.3Confident74.4Confident99 Ų99109.6 Ų109.652%0.51857%0.568SS.*Hα-helixtrans-62.4-39.3175.1-71.8171.5000111.7L23 V24 M30 N31L23-L27 HydrophobicContact CD1-CD1 4.38Å; L23-L27 HydrophobicContact CD1-CG 4.42Å; L23-L27 HydrophobicContact CG-CD1 3.99Å; L23-L27 HydrophobicContact CG-CG 4.44Å; L23-L27 VanDerWaalsContact O-CB 3.3Å; L23-L27 WeakPolarHBondContact O-CB 3.4Å; L23-L27 WeakPolarHBondContact O-CG 3.45Å; L23-L27 PolarHBondContact O-N 3.02Å; V24-L27 PolarHBondContact O-N 2.87Å; L27-M30 PolarHBondContact O-N 3.05Å; L27-N31 WeakPolarHBondContact O-CB 3.47Å; L27-N31 PolarHBondContact O-N 3.44Å
28K66.3Low75Confident157 Ų157109.4 Ų109.468%0.68356%0.563SS**Hα-helixtrans-71.3-32.1177.1-161.5176.2-174.7-178.30112.3V24 L25 V26 N31 S32V24-K28 WeakPolarHBondContact O-CB 3.37Å; V24-K28 PolarHBondContact O-N 3.38Å; L25-K28 PolarHBondContact O-N 2.93Å; V26-K28 VanDerWaalsContact C-N 3.33Å; V26-K28 PolarHBondContact O-N 3.43Å; K28-N31 CarbonylContact O-C 3.55Å; K28-S32 PolarHBondContact O-N 3.07Å
29S63.4Low75.6Confident88 Ų88104.9 Ų104.962%0.61554%0.54SS*.Hα-helixtrans-73.8-39.9173.1178.70000111.9L25 V26 N31 S32L25-S29 WeakPolarHBondContact O-CB 3.39Å; L25-S29 PolarHBondContact O-N 3.48Å; V26-S29 PolarHBondContact O-N 2.9Å; S29-N31 VanDerWaalsContact C-N 3.29Å; S29-N31 PolarHBondContact O-N 2.71Å; S29-S32 VanDerWaalsContact O-CB 3.3Å; S29-S32 WeakPolarHBondContact O-CB 3.28Å; S29-S32 PolarHBondContact O-N 3.33Å
30M61.5Low76.2Confident148 Ų148103.2 Ų103.273%0.72952%0.521SS*.Hα-helixtrans-69.3-28.5173-70.4175.470.300111.9V26 L27V26-M30 HydrophobicContact CG1-CG 4.27Å; V26-M30 HydrophobicContact CG1-SD 3.67Å; V26-M30 WeakPolarHBondContact O-CB 3.31Å; V26-M30 WeakPolarHBondContact O-CG 3.47Å; V26-M30 PolarHBondContact O-N 2.77Å; L27-M30 PolarHBondContact O-N 3.05Å
31N51.5Low76.7Confident130 Ų130106.5 Ų106.570%0.69553%0.531SS*.THydrogen-bonded Turntrans-92.84.2176-149.834.5000113.4L27 K28 S29 R33L27-N31 WeakPolarHBondContact O-CB 3.47Å; L27-N31 PolarHBondContact O-N 3.44Å; K28-N31 CarbonylContact O-C 3.55Å; S29-N31 VanDerWaalsContact C-N 3.29Å; S29-N31 PolarHBondContact O-N 2.71Å; N31-R33 PolarHBondContact O-N 3.38Å
32S49.8Very low77.2Confident76 Ų76106.8 Ų106.853%0.53153%0.53SS..  trans-73.378.7164.5168.80000107.7K28 S29 K34K28-S32 PolarHBondContact O-N 3.07Å; S29-S32 VanDerWaalsContact O-CB 3.3Å; S29-S32 WeakPolarHBondContact O-CB 3.28Å; S29-S32 PolarHBondContact O-N 3.33Å; S32-K34 VanDerWaalsContact C-N 3.33Å; S32-K34 PolarHBondContact O-N 3.22Å
33R53.4Low77.6Confident224 Ų224105.6 Ų105.685%0.84552%0.524SS*.  trans-52.6105.9159.7-76.3-176.5178.7-178-1105.8N31 R35N31-R33 PolarHBondContact O-N 3.38Å; R33-R35 PolarHBondContact O-N 2.87Å
34K57.8Low78.3Confident193 Ų193105.9 Ų105.984%0.83952%0.522SS*.  trans-49.8113.9168-91.9-176.9174.9-179.20105.1S32 E36S32-K34 VanDerWaalsContact C-N 3.33Å; S32-K34 PolarHBondContact O-N 3.22Å; K34-E36 PolarHBondContact O-N 3.41Å
35R70.1Confident79Confident244 Ų244103.5 Ų103.592%0.92151%0.511SS*.PPolyproline II helixtrans-56.2125.5175.5-74.9-177.3175.2175.3-2.5106.6R33R33-R35 PolarHBondContact O-N 2.87Å
36E81.9Confident79.9Confident83 Ų83103.7 Ų103.739%0.38851%0.507SS..PPolyproline II helixtrans-58.9133.4179.5-68161.1162.500108.2K34 I38 V74 R107K34-E36 PolarHBondContact O-N 3.41Å; E36-I38 PolarHBondContact O-N 3.35Å; E36-V74 HydrophobicContact CB-CG1 4.28Å; E36-V74 HydrophobicContact CB-CG2 4.31Å; E36-R107 IonicContact OE1-CZ 2.68Å; E36-R107 IonicContact OE1-NE 2.68Å; E36-R107 PolarHBondContact OE1-NE 3.16Å; E36-R107 IonicContact OE1-NH2 3.91Å; E36-R107 PolarHBondContact OE1-NH2 3.19Å
37P95.6Very high80.9Confident48 Ų48102.5 Ų102.531%0.31250%0.496SS..PPolyproline II helixtrans-67.2129.6178.327-32000109.7D72 H73 V74P37-D72 WeakPolarHBondContact CD-O 3.5Å; P37-D72 HydrophobicContact CG-CB 4.21Å; P37-H73 HydrophobicContact CG-CB 4.49Å; P37-H73 VanDerWaalsContact O-CA 3.25Å; P37-H73 WeakPolarHBondContact O-CA 3.41Å; P37-H73 PolarHBondContact O-CD2 3.26Å; P37-V74 PolarHBondContact O-N 2.67Å
38I97.7Very high82.1Confident77 Ų77101.3 Ų101.340%0.39549%0.494SS..BIsolated β-bridgetrans-97.9133-176.7-70168.2000109.3E36 Q41 V74E36-I38 PolarHBondContact O-N 3.35Å; I38-Q41 HydrophobicContact CG2-CG 4.5Å; I38-Q41 VanDerWaalsContact O-CG 3.24Å; I38-Q41 WeakPolarHBondContact O-CG 3.41Å; I38-Q41 PolarHBondContact O-NE2 3.25Å; I38-V74 HydrophobicContact CG1-CG2 4.01Å
39T98.3Very high83.6Confident4 Ų494 Ų943%0.02546%0.463CS..SBendtrans-72.9-53.3177.3-54.90000111.4Q41 Y47 L49 L68 P69 V74T39-Q41 PolarHBondContact O-N 3.3Å; T39-Q41 VanDerWaalsContact O-N 3.08Å; T39-Y47 HydrophobicContact CG2-CD1 4.39Å; T39-Y47 HydrophobicContact CG2-CG 4.49Å; T39-Y47 WeakPolarHBondContact O-CD1 3.36Å; T39-Y47 WeakPolarHBondContact O-CE1 3.47Å; T39-L49 HydrophobicContact CG2-CD2 4.27Å; T39-L68 HydrophobicContact CG2-CD2 4.28Å; T39-P69 HydrophobicContact CG2-CG 4.02Å; T39-P69 VanDerWaalsContact OG1-CD 3.31Å; T39-P69 WeakPolarHBondContact OG1-CD 3.33Å; T39-V74 WeakPolarHBondContact CB-O 3.32Å; T39-V74 PolarHBondContact N-O 3.4Å; T39-V74 PolarHBondContact OG1-O 2.93Å
40L97.9Very high85.3Confident7 Ų791.3 Ų91.34%0.03744%0.443CS..  trans-85.771.9-174.7-62.9-178.9000112.3Y47 L75 V83 G148L40-Y47 HydrophobicContact CD2-CD2 3.51Å; L40-Y47 HydrophobicContact CD2-CE2 3.75Å; L40-Y47 HydrophobicContact CD2-CG 4.23Å; L40-L75 WeakPolarHBondContact CB-O 3.27Å; L40-L75 HydrophobicContact CD1-CD1 3.83Å; L40-L75 HydrophobicContact CD1-CD2 4.37Å; L40-L75 HydrophobicContact CD1-CG 3.75Å; L40-L75 HydrophobicContact CD2-CD1 4.46Å; L40-L75 HydrophobicContact CG-CD1 3.9Å; L40-L75 HydrophobicContact CG-CG 4.19Å; L40-L75 VanDerWaalsContact CG-O 3.31Å; L40-L75 WeakPolarHBondContact CG-O 3.49Å; L40-L75 PolarHBondContact N-O 2.98Å; L40-V83 HydrophobicContact CD1-CG1 3.68Å; L40-G148 WeakPolarHBondContact CB-O 3.07Å
41Q96.5Very high87.1Confident151 Ų15184.3 Ų84.371%0.70641%0.408SS*.  trans-78.9-40.6-176-59.5-176.510.600113.3I38 T39 Y47I38-Q41 HydrophobicContact CG2-CG 4.5Å; I38-Q41 VanDerWaalsContact O-CG 3.24Å; I38-Q41 WeakPolarHBondContact O-CG 3.41Å; I38-Q41 PolarHBondContact O-NE2 3.25Å; T39-Q41 PolarHBondContact O-N 3.3Å; T39-Q41 VanDerWaalsContact O-N 3.08Å; Q41-Y47 PolarHBondContact N-OH 3.28Å; Q41-Y47 VanDerWaalsContact N-OH 3.16Å
42D96.8Very high89.3Confident79 Ų7981.3 Ų81.342%0.42239%0.392SS..SBendtrans-112.4119.4174.4175.9-3.9000110.1E44 A45 Y47D42-E44 PolarHBondContact O-N 2.72Å; D42-E44 PolarHBondContact OD1-N 2.9Å; D42-A45 HydrophobicContact CB-CB 3.76Å; D42-A45 PolarHBondContact O-N 3.24Å; D42-Y47 PolarHBondContact N-OH 3.35Å; D42-Y47 WeakPolarHBondContact O-CE2 3.46Å; D42-Y47 PolarHBondContact O-OH 3.42Å; D42-Y47 VanDerWaalsContact O-OH 3.06Å
43P95.1Very high91.7Very high54 Ų5481.1 Ų81.135%0.35138%0.382SS..THydrogen-bonded Turntrans-58.9-20.6177.6-25.835.4000116.6R147 G148 K150P43-R147 WeakPolarHBondContact O-CG 3.36Å; P43-G148 WeakPolarHBondContact CA-O 3.34Å; P43-K150 WeakPolarHBondContact O-CE 3.48Å; P43-K150 PolarHBondContact O-NZ 3.16Å
44E96.5Very high93.8Very high108 Ų10874 Ų7451%0.50536%0.357SS..THydrogen-bonded Turntrans-99.8-19.9179.3-58.3-48.6144.400113.7D42 R147 K150D42-E44 PolarHBondContact O-N 2.72Å; D42-E44 PolarHBondContact OD1-N 2.9Å; E44-R147 WeakPolarHBondContact O-CD 3.49Å; E44-K150 IonicContact OE1-NZ 2.75Å; E44-K150 PolarHBondContact OE1-NZ 2.85Å; E44-K150 IonicContact OE2-NZ 3.29Å; E44-K150 PolarHBondContact OE2-NZ 2.79Å
45A97.9Very high95.7Very high30 Ų3069.1 Ų69.125%0.24834%0.338CS..SBendtrans-65.9153.817800000112D42 Y47 R147D42-A45 HydrophobicContact CB-CB 3.76Å; D42-A45 PolarHBondContact O-N 3.24Å; A45-Y47 HydrophobicContact CB-CE2 3.84Å; A45-Y47 WeakPolarHBondContact O-CE2 3.24Å; A45-R147 WeakPolarHBondContact O-CG 3.4Å
46K98.3Very high96.9Very high110 Ų11064.5 Ų64.548%0.47832%0.324SS..  trans-106.8122.8179-61.8176.8-172.4172.40109.1F145 F146K46-F145 HydrophobicContact CB-CB 4.27Å; K46-F145 HydrophobicContact CB-CD1 3.69Å; K46-F145 HydrophobicContact CB-CE1 4.3Å; K46-F145 HydrophobicContact CB-CG 4.13Å; K46-F145 HydrophobicContact CD-CG 4.49Å; K46-F146 WeakPolarHBondContact CA-O 3.39Å
47Y98.6Very high97.3Very high42 Ų4264.3 Ų64.317%0.16533%0.325CS..EExtended strand (participates in β ladder)trans-108.8109.6-179.4-55.6-89.8000108.7T39 L40 Q41 D42 A45 L49 F145 F146T39-Y47 HydrophobicContact CG2-CD1 4.39Å; T39-Y47 HydrophobicContact CG2-CG 4.49Å; T39-Y47 WeakPolarHBondContact O-CD1 3.36Å; T39-Y47 WeakPolarHBondContact O-CE1 3.47Å; L40-Y47 HydrophobicContact CD2-CD2 3.51Å; L40-Y47 HydrophobicContact CD2-CE2 3.75Å; L40-Y47 HydrophobicContact CD2-CG 4.23Å; Q41-Y47 PolarHBondContact N-OH 3.28Å; Q41-Y47 VanDerWaalsContact N-OH 3.16Å; D42-Y47 PolarHBondContact N-OH 3.35Å; D42-Y47 WeakPolarHBondContact O-CE2 3.46Å; D42-Y47 PolarHBondContact O-OH 3.42Å; D42-Y47 VanDerWaalsContact O-OH 3.06Å; A45-Y47 HydrophobicContact CB-CE2 3.84Å; A45-Y47 WeakPolarHBondContact O-CE2 3.24Å; Y47-L49 PolarHBondContact O-N 3.19Å; Y47-F145 WeakPolarHBondContact O-CA 3.29Å; Y47-F146 PolarHBondContact N-O 3.46Å; Y47-F146 PolarHBondContact O-N 2.8Å
48P98.5Very high96.9Very high74 Ų7463.2 Ų63.248%0.48132%0.318SS..EExtended strand (participates in β ladder)trans-74.3113.4175.828.9-30.5000109.1F145P48-F145 HydrophobicContact CB-CD1 3.97Å; P48-F145 HydrophobicContact CB-CE1 3.78Å; P48-F145 HydrophobicContact CG-CE1 4.18Å
49L98.8Very high96.6Very high5 Ų564.5 Ų64.53%0.02632%0.322CS..EExtended strand (participates in β ladder)trans-111.8128.8178.1-54.9-173.2000109.9T39 Y47 F66 L68 V110 T143 I144 F146T39-L49 HydrophobicContact CG2-CD2 4.27Å; Y47-L49 PolarHBondContact O-N 3.19Å; L49-F66 HydrophobicContact CB-CB 3.92Å; L49-L68 HydrophobicContact CD1-CD2 3.97Å; L49-V110 HydrophobicContact CD1-CG1 4.03Å; L49-T143 WeakPolarHBondContact O-CA 3.42Å; L49-I144 PolarHBondContact N-O 3.11Å; L49-I144 PolarHBondContact O-N 2.93Å; L49-I144 VanDerWaalsContact O-N 3.09Å; L49-F146 HydrophobicContact CB-CD2 3.87Å; L49-F146 HydrophobicContact CB-CE2 3.96Å; L49-F146 HydrophobicContact CD1-CB 4.16Å; L49-F146 HydrophobicContact CD1-CD1 3.98Å; L49-F146 HydrophobicContact CD1-CD2 3.6Å; L49-F146 HydrophobicContact CD1-CE1 4.25Å; L49-F146 HydrophobicContact CD1-CE2 3.9Å; L49-F146 HydrophobicContact CD1-CG 3.65Å; L49-F146 HydrophobicContact CD1-CZ 4.22Å; L49-F146 HydrophobicContact CG-CB 4.41Å; L49-F146 HydrophobicContact CG-CD2 3.76Å; L49-F146 HydrophobicContact CG-CE2 4.24Å; L49-F146 HydrophobicContact CG-CG 4.14Å
50P98.8Very high96.2Very high31 Ų3165.2 Ų65.220%0.20133%0.326CS..EExtended strand (participates in β ladder)trans-77.7139.4179.831.9-33.5000110.9I52 F66 E67 D142 T143P50-I52 PolarHBondContact O-N 2.96Å; P50-F66 CarbonylContact O-C 3.51Å; P50-F66 WeakPolarHBondContact O-CA 3.34Å; P50-E67 HydrophobicContact CG-CB 3.7Å; P50-E67 PolarHBondContact O-N 3.05Å; P50-D142 WeakPolarHBondContact CA-O 3.47Å; P50-T143 HydrophobicContact CB-CG2 4.07Å
51L98.9Very high96Very high0 Ų065 Ų650%033%0.325CS..EExtended strand (participates in β ladder)trans-71.6115.9169.7178.267.1000109E53 F64 F66 M138 I140 G141 D142L51-E53 WeakPolarHBondContact CD1-O 3.47Å; L51-F64 HydrophobicContact CD1-CB 4.01Å; L51-F64 HydrophobicContact CD1-CD1 3.83Å; L51-F64 HydrophobicContact CD1-CG 4.44Å; L51-F64 HydrophobicContact CD2-CD1 4.35Å; L51-F66 HydrophobicContact CB-CD1 4.13Å; L51-F66 HydrophobicContact CB-CE1 3.92Å; L51-F66 HydrophobicContact CD1-CD1 4.4Å; L51-F66 HydrophobicContact CD1-CE1 4.02Å; L51-F66 HydrophobicContact CD1-CE2 4.49Å; L51-F66 HydrophobicContact CD1-CZ 4.08Å; L51-M138 HydrophobicContact CB-CE 4.12Å; L51-M138 HydrophobicContact CD2-CB 3.74Å; L51-I140 HydrophobicContact CD2-CD1 4.26Å; L51-I140 HydrophobicContact CG-CD1 4.07Å; L51-I140 CarbonylContact O-C 3.57Å; L51-I140 WeakPolarHBondContact O-CA 3.31Å; L51-G141 PolarHBondContact O-N 3.15Å; L51-D142 PolarHBondContact N-O 3.35Å
52I98.8Very high96Very high68 Ų6858.7 Ų58.735%0.34930%0.295SS..EExtended strand (participates in β ladder)trans-106.2-19.6179.756.2169.2000113P50 R65 E67P50-I52 PolarHBondContact O-N 2.96Å; I52-R65 HydrophobicContact CD1-CG 4.01Å; I52-R65 HydrophobicContact CG1-CB 4.2Å; I52-R65 HydrophobicContact CG1-CG 3.91Å; I52-R65 WeakPolarHBondContact CG1-O 3.49Å; I52-R65 PolarHBondContact N-O 2.96Å; I52-E67 HydrophobicContact CD1-CB 4.01Å; I52-E67 HydrophobicContact CD1-CG 4.22Å; I52-E67 HydrophobicContact CG1-CB 4.4Å; I52-E67 HydrophobicContact CG2-CB 3.74Å; I52-E67 HydrophobicContact CG2-CG 4.34Å
53E98.7Very high96Very high71 Ų7156.1 Ų56.133%0.33228%0.279SS..EExtended strand (participates in β ladder)trans-149.1141.6178.4-151.7-172.2160.400111.6L51 R63 R65L51-E53 WeakPolarHBondContact CD1-O 3.47Å; E53-R63 IonicContact OE1-CZ 3.61Å; E53-R63 IonicContact OE1-NH1 3.74Å; E53-R63 IonicContact OE1-NH2 3.43Å; E53-R63 PolarHBondContact OE1-NH2 3.03Å; E53-R63 IonicContact OE2-CZ 3.73Å; E53-R63 IonicContact OE2-NH1 3.37Å; E53-R63 PolarHBondContact OE2-NH1 2.75Å; E53-R63 IonicContact OE2-NH2 3.02Å; E53-R63 PolarHBondContact OE2-NH2 3.32Å; E53-R65 HydrophobicContact CB-CB 3.59Å; E53-R65 PolarHBondContact N-O 3.21Å; E53-R65 PolarHBondContact O-N 3.3Å; E53-R65 IonicContact OE2-CZ 2.66Å; E53-R65 IonicContact OE2-NE 2.65Å; E53-R65 IonicContact OE2-NH1 3.39Å; E53-R65 PolarHBondContact OE2-NH1 2.97Å
54K98.6Very high96.2Very high75 Ų7553.6 Ų53.633%0.32626%0.263SS..EExtended strand (participates in β ladder)trans-136.6110.9172.2-175.7170.968.1-170.10109.7R63 F64 E136 M138 I140K54-R63 WeakPolarHBondContact CA-O 3.49Å; K54-F64 HydrophobicContact CD-CD1 3.96Å; K54-F64 HydrophobicContact CD-CE1 3.36Å; K54-F64 HydrophobicContact CD-CZ 4.1Å; K54-F64 HydrophobicContact CG-CD1 4Å; K54-F64 HydrophobicContact CG-CE1 3.82Å; K54-F64 HydrophobicContact CG-CZ 4.49Å; K54-E136 PolarHBondContact NZ-O 2.84Å; K54-M138 PolarHBondContact NZ-O 2.73Å; K54-I140 HydrophobicContact CB-CD1 4.41Å
55E97.4Very high96.3Very high91 Ų9151.4 Ų51.443%0.42525%0.25SC..EExtended strand (participates in β ladder)trans-106.5135.6-178.3-174-170.7164.400110.7I57 R62 R63E55-I57 PolarHBondContact O-N 2.74Å; E55-R62 CarbonylContact O-C 3.27Å; E55-R62 WeakPolarHBondContact O-CA 3.45Å; E55-R63 HydrophobicContact CB-CB 4.24Å; E55-R63 PolarHBondContact N-O 2.88Å; E55-R63 PolarHBondContact O-N 3.44Å; E55-R63 IonicContact OE2-CZ 3.97Å; E55-R63 VanDerWaalsContact OE2-CZ 3.29Å; E55-R63 IonicContact OE2-NE 2.73Å; E55-R63 PolarHBondContact OE2-NE 3.22Å; E55-R63 IonicContact OE2-NH2 2.78Å; E55-R63 PolarHBondContact OE2-NH2 3.37Å
56K95.8Very high96.3Very high146 Ų14650 Ų5064%0.63524%0.238SC*.EExtended strand (participates in β ladder)trans-84.7111.3173.5-177.7178.3179.3-176.80110.1S58K56-S58 VanDerWaalsContact CE-O 3.31Å; K56-S58 WeakPolarHBondContact CE-O 3.3Å; K56-S58 WeakPolarHBondContact CG-O 3.29Å
57I90.2Very high96.4Very high79 Ų7949 Ų4941%0.40524%0.235SC..  trans-85.8-45.5176.2-58.7-176.9000110.9E55 T61 R63 I113E55-I57 PolarHBondContact O-N 2.74Å; I57-T61 HydrophobicContact CB-CG2 4.09Å; I57-T61 HydrophobicContact CD1-CG2 4.07Å; I57-T61 HydrophobicContact CG2-CG2 4.45Å; I57-T61 PolarHBondContact N-O 3.04Å; I57-R63 HydrophobicContact CD1-CB 4.1Å; I57-R63 HydrophobicContact CG1-CB 4.46Å; I57-I113 HydrophobicContact CD1-CD1 3.99Å; I57-I113 HydrophobicContact CD1-CG1 3.99Å; I57-I113 HydrophobicContact CD1-CG2 4.06Å
58S88.1Confident96.4Very high25 Ų2547.2 Ų47.218%0.17523%0.228CC..SBendtrans-144.7-172.3-179.678.60000111.1K56 N60 T61 R62K56-S58 VanDerWaalsContact CE-O 3.31Å; K56-S58 WeakPolarHBondContact CE-O 3.3Å; K56-S58 WeakPolarHBondContact CG-O 3.29Å; S58-N60 PolarHBondContact O-N 2.99Å; S58-N60 PolarHBondContact OG-N 2.74Å; S58-N60 PolarHBondContact OG-OD1 2.71Å; S58-T61 PolarHBondContact N-O 2.83Å; S58-T61 VanDerWaalsContact OG-CB 3.3Å; S58-T61 WeakPolarHBondContact OG-CB 3.28Å; S58-T61 PolarHBondContact OG-N 3.27Å; S58-T61 PolarHBondContact OG-OG1 2.9Å; S58-R62 PolarHBondContact O-NH1 2.83Å
59H89.9Confident96.4Very high104 Ų10447.6 Ų47.648%0.48123%0.231SC..SBendtrans-55.5-37.417668.6-89.7000112.1R62H59-R62 PolarHBondContact O-NH1 3.34Å
60N91.4Very high96.3Very high20 Ų2049 Ų4911%0.10724%0.241CC..SBendtrans-12814.9-178.364.96.8000114.6S58 K115 I116 F118S58-N60 PolarHBondContact O-N 2.99Å; S58-N60 PolarHBondContact OG-N 2.74Å; S58-N60 PolarHBondContact OG-OD1 2.71Å; N60-K115 VanDerWaalsContact CG-CE 3.43Å; N60-K115 WeakPolarHBondContact ND2-CE 3.07Å; N60-K115 CarbonylContact O-C 3.57Å; N60-K115 VanDerWaalsContact O-CA 3.3Å; N60-K115 WeakPolarHBondContact O-CA 3.43Å; N60-K115 WeakPolarHBondContact OD1-CE 3.31Å; N60-I116 PolarHBondContact O-N 3.24Å; N60-F118 HydrophobicContact CB-CD2 4.4Å; N60-F118 HydrophobicContact CB-CE2 4.04Å
61T92.6Very high96.2Very high1 Ų152.3 Ų52.31%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-119.9141.3175-570000111.2I57 S58 I113 I114 L221I57-T61 HydrophobicContact CB-CG2 4.09Å; I57-T61 HydrophobicContact CD1-CG2 4.07Å; I57-T61 HydrophobicContact CG2-CG2 4.45Å; I57-T61 PolarHBondContact N-O 3.04Å; S58-T61 PolarHBondContact N-O 2.83Å; S58-T61 VanDerWaalsContact OG-CB 3.3Å; S58-T61 WeakPolarHBondContact OG-CB 3.28Å; S58-T61 PolarHBondContact OG-N 3.27Å; S58-T61 PolarHBondContact OG-OG1 2.9Å; T61-I113 HydrophobicContact CG2-CG2 3.61Å; T61-I114 WeakPolarHBondContact CA-O 3.4Å; T61-L221 HydrophobicContact CG2-CD2 3.66Å; T61-L221 WeakPolarHBondContact OG1-CD2 3.36Å
62R96.3Very high96.1Very high19 Ų1957 Ų577%0.07229%0.288CS..EExtended strand (participates in β ladder)trans-127.7152.9173.2-52.3-64.3175.8-98-0.6111.2E55 S58 H59 F64 I113 I114 I116 E136E55-R62 CarbonylContact O-C 3.27Å; E55-R62 WeakPolarHBondContact O-CA 3.45Å; S58-R62 PolarHBondContact O-NH1 2.83Å; H59-R62 PolarHBondContact O-NH1 3.34Å; R62-F64 HydrophobicContact CB-CD2 3.98Å; R62-F64 HydrophobicContact CB-CE2 3.45Å; R62-F64 VanDerWaalsContact CB-CE2 3.45Å; R62-F64 HydrophobicContact CB-CZ 3.79Å; R62-F64 HydrophobicContact CG-CE2 4.06Å; R62-F64 HydrophobicContact CG-CZ 3.96Å; R62-I113 WeakPolarHBondContact O-CA 3.46Å; R62-I114 PolarHBondContact N-O 3.32Å; R62-I114 PolarHBondContact O-N 2.94Å; R62-I116 HydrophobicContact CG-CD1 4.02Å; R62-I116 HydrophobicContact CG-CG1 3.91Å; R62-E136 WeakPolarHBondContact CG-OE2 3.39Å; R62-E136 IonicContact CZ-OE1 3.78Å; R62-E136 IonicContact CZ-OE2 3.43Å; R62-E136 IonicContact NE-OE1 2.87Å; R62-E136 PolarHBondContact NE-OE1 2.89Å; R62-E136 IonicContact NE-OE2 2.74Å; R62-E136 PolarHBondContact NE-OE2 3.11Å; R62-E136 IonicContact NH2-OE1 3.29Å; R62-E136 PolarHBondContact NH2-OE1 2.72Å; R62-E136 IonicContact NH2-OE2 3.23Å
63R97.3Very high96.1Very high26 Ų2655.2 Ų55.210%0.09828%0.278CS..EExtended strand (participates in β ladder)trans-97.7129.7154.6-178.2-178.260.485.2-1.5108.3E53 K54 E55 I57 R65 D111 L112 I113E53-R63 IonicContact OE1-CZ 3.61Å; E53-R63 IonicContact OE1-NH1 3.74Å; E53-R63 IonicContact OE1-NH2 3.43Å; E53-R63 PolarHBondContact OE1-NH2 3.03Å; E53-R63 IonicContact OE2-CZ 3.73Å; E53-R63 IonicContact OE2-NH1 3.37Å; E53-R63 PolarHBondContact OE2-NH1 2.75Å; E53-R63 IonicContact OE2-NH2 3.02Å; E53-R63 PolarHBondContact OE2-NH2 3.32Å; K54-R63 WeakPolarHBondContact CA-O 3.49Å; E55-R63 HydrophobicContact CB-CB 4.24Å; E55-R63 PolarHBondContact N-O 2.88Å; E55-R63 PolarHBondContact O-N 3.44Å; E55-R63 IonicContact OE2-CZ 3.97Å; E55-R63 VanDerWaalsContact OE2-CZ 3.29Å; E55-R63 IonicContact OE2-NE 2.73Å; E55-R63 PolarHBondContact OE2-NE 3.22Å; E55-R63 IonicContact OE2-NH2 2.78Å; E55-R63 PolarHBondContact OE2-NH2 3.37Å; I57-R63 HydrophobicContact CD1-CB 4.1Å; I57-R63 HydrophobicContact CG1-CB 4.46Å; R63-R65 VanDerWaalsContact NH1-CZ 3.34Å; R63-D111 HydrophobicContact CG-CB 4.23Å; R63-D111 IonicContact NH1-OD1 2.54Å; R63-D111 PolarHBondContact NH1-OD1 3.07Å; R63-D111 IonicContact NH1-OD2 2.96Å; R63-L112 CarbonylContact C-O 3.58Å; R63-L112 WeakPolarHBondContact CA-O 3.43Å; R63-I113 HydrophobicContact CB-CG1 4.42Å
64F98.8Very high96.1Very high0 Ų052 Ų520%026%0.263CS..EExtended strand (participates in β ladder)trans-111.4123.7172.4-63.7-91.3000108.7L51 K54 R62 F66 D111 L112 I114 I116 L135L51-F64 HydrophobicContact CD1-CB 4.01Å; L51-F64 HydrophobicContact CD1-CD1 3.83Å; L51-F64 HydrophobicContact CD1-CG 4.44Å; L51-F64 HydrophobicContact CD2-CD1 4.35Å; K54-F64 HydrophobicContact CD-CD1 3.96Å; K54-F64 HydrophobicContact CD-CE1 3.36Å; K54-F64 HydrophobicContact CD-CZ 4.1Å; K54-F64 HydrophobicContact CG-CD1 4Å; K54-F64 HydrophobicContact CG-CE1 3.82Å; K54-F64 HydrophobicContact CG-CZ 4.49Å; R62-F64 HydrophobicContact CB-CD2 3.98Å; R62-F64 HydrophobicContact CB-CE2 3.45Å; R62-F64 VanDerWaalsContact CB-CE2 3.45Å; R62-F64 HydrophobicContact CB-CZ 3.79Å; R62-F64 HydrophobicContact CG-CE2 4.06Å; R62-F64 HydrophobicContact CG-CZ 3.96Å; F64-F66 HydrophobicContact CB-CD2 4.36Å; F64-F66 HydrophobicContact CB-CE2 3.53Å; F64-F66 HydrophobicContact CB-CZ 3.99Å; F64-D111 CarbonylContact O-C 3.53Å; F64-D111 WeakPolarHBondContact O-CA 3.27Å; F64-L112 PolarHBondContact N-O 3.3Å; F64-L112 PolarHBondContact O-N 3.26Å; F64-I114 HydrophobicContact CD2-CB 4.15Å; F64-I114 HydrophobicContact CD2-CD1 3.98Å; F64-I114 HydrophobicContact CD2-CG1 4.25Å; F64-I114 HydrophobicContact CE2-CB 3.94Å; F64-I114 HydrophobicContact CE2-CD1 4.29Å; F64-I114 HydrophobicContact CE2-CG1 4.49Å; F64-I116 HydrophobicContact CE2-CD1 4.06Å; F64-I116 HydrophobicContact CZ-CD1 4.05Å; F64-L135 HydrophobicContact CE1-CB 3.99Å; F64-L135 VanDerWaalsContact CE1-O 3.25Å; F64-L135 WeakPolarHBondContact CE1-O 3.24Å; F64-L135 HydrophobicContact CE2-CB 4.28Å; F64-L135 HydrophobicContact CZ-CB 3.78Å
65R98.9Very high96.1Very high62 Ų6248.7 Ų48.723%0.23425%0.249CC..EExtended strand (participates in β ladder)trans-105.8124.1174.4-170.3165.6-79.6-176.8-12.3110.3I52 E53 R63 F109 V110 D111I52-R65 HydrophobicContact CD1-CG 4.01Å; I52-R65 HydrophobicContact CG1-CB 4.2Å; I52-R65 HydrophobicContact CG1-CG 3.91Å; I52-R65 WeakPolarHBondContact CG1-O 3.49Å; I52-R65 PolarHBondContact N-O 2.96Å; E53-R65 HydrophobicContact CB-CB 3.59Å; E53-R65 PolarHBondContact N-O 3.21Å; E53-R65 PolarHBondContact O-N 3.3Å; E53-R65 IonicContact OE2-CZ 2.66Å; E53-R65 IonicContact OE2-NE 2.65Å; E53-R65 IonicContact OE2-NH1 3.39Å; E53-R65 PolarHBondContact OE2-NH1 2.97Å; R63-R65 VanDerWaalsContact NH1-CZ 3.34Å; R65-F109 HydrophobicContact CG-CB 3.69Å; R65-F109 HydrophobicContact CG-CD2 3.89Å; R65-F109 HydrophobicContact CG-CG 4Å; R65-F109 VanDerWaalsContact NE-CD2 3.33Å; R65-F109 VanDerWaalsContact NH2-CE2 3.34Å; R65-V110 WeakPolarHBondContact CA-O 3.17Å; R65-D111 WeakPolarHBondContact CA-OD1 3.5Å; R65-D111 WeakPolarHBondContact CB-OD1 3.42Å; R65-D111 VanDerWaalsContact CG-OD1 3.29Å; R65-D111 WeakPolarHBondContact CG-OD1 3.27Å; R65-D111 IonicContact CZ-OD1 3.74Å; R65-D111 IonicContact CZ-OD2 3.52Å; R65-D111 IonicContact NE-OD1 3.71Å; R65-D111 PolarHBondContact NE-OD1 3.17Å; R65-D111 IonicContact NE-OD2 2.65Å; R65-D111 PolarHBondContact NE-OD2 3.15Å; R65-D111 IonicContact NH2-OD1 3.09Å; R65-D111 IonicContact NH2-OD2 2.79Å; R65-D111 PolarHBondContact NH2-OD2 3.45Å
66F98.9Very high96.1Very high0 Ų044.9 Ų44.90%023%0.234CC..EExtended strand (participates in β ladder)trans-110.1140.3175.1-57.8-94.3000110.4L49 P50 L51 F64 F109 V110 L112 L135 M138 I144 F146L49-F66 HydrophobicContact CB-CB 3.92Å; P50-F66 CarbonylContact O-C 3.51Å; P50-F66 WeakPolarHBondContact O-CA 3.34Å; L51-F66 HydrophobicContact CB-CD1 4.13Å; L51-F66 HydrophobicContact CB-CE1 3.92Å; L51-F66 HydrophobicContact CD1-CD1 4.4Å; L51-F66 HydrophobicContact CD1-CE1 4.02Å; L51-F66 HydrophobicContact CD1-CE2 4.49Å; L51-F66 HydrophobicContact CD1-CZ 4.08Å; F64-F66 HydrophobicContact CB-CD2 4.36Å; F64-F66 HydrophobicContact CB-CE2 3.53Å; F64-F66 HydrophobicContact CB-CZ 3.99Å; F66-F109 CarbonylContact O-C 3.59Å; F66-F109 WeakPolarHBondContact O-CA 3.25Å; F66-F109 WeakPolarHBondContact O-CB 3.45Å; F66-V110 HydrophobicContact CB-CG1 3.82Å; F66-V110 PolarHBondContact N-O 3Å; F66-V110 PolarHBondContact O-N 3.01Å; F66-L112 HydrophobicContact CE2-CD1 4.01Å; F66-L112 HydrophobicContact CE2-CG 4.34Å; F66-L135 HydrophobicContact CZ-CD2 4.17Å; F66-M138 HydrophobicContact CE1-CE 4.19Å; F66-I144 HydrophobicContact CD1-CG2 4Å; F66-I144 HydrophobicContact CE1-CG2 3.42Å; F66-I144 VanDerWaalsContact CE1-CG2 3.42Å; F66-I144 HydrophobicContact CZ-CG2 3.92Å; F66-F146 HydrophobicContact CB-CE2 4.21Å; F66-F146 HydrophobicContact CB-CZ 4.17Å; F66-F146 AromaticContact CD1-CE2 3.98Å; F66-F146 HydrophobicContact CD1-CE2 3.98Å; F66-F146 HydrophobicContact CD1-CZ 4.4Å; F66-F146 AromaticContact CD2-CE2 3.98Å; F66-F146 HydrophobicContact CD2-CE2 3.98Å; F66-F146 AromaticContact CD2-CZ 3.56Å; F66-F146 HydrophobicContact CD2-CZ 3.56Å; F66-F146 HydrophobicContact CE1-CE2 4.35Å; F66-F146 HydrophobicContact CE2-CE2 4.33Å; F66-F146 AromaticContact CE2-CZ 3.98Å; F66-F146 HydrophobicContact CE2-CZ 3.98Å; F66-F146 AromaticContact CG-CE2 3.78Å; F66-F146 HydrophobicContact CG-CE2 3.78Å; F66-F146 AromaticContact CG-CZ 3.79Å; F66-F146 HydrophobicContact CG-CZ 3.79Å
67E98.8Very high96.2Very high89 Ų8938.5 Ų38.542%0.41621%0.207SC..EExtended strand (participates in β ladder)trans-74.5138.5177.2-154.1175.8-167.400110.6P50 I52P50-E67 HydrophobicContact CG-CB 3.7Å; P50-E67 PolarHBondContact O-N 3.05Å; I52-E67 HydrophobicContact CD1-CB 4.01Å; I52-E67 HydrophobicContact CD1-CG 4.22Å; I52-E67 HydrophobicContact CG1-CB 4.4Å; I52-E67 HydrophobicContact CG2-CB 3.74Å; I52-E67 HydrophobicContact CG2-CG 4.34Å
68L98.8Very high96.5Very high5 Ų537.3 Ų37.33%0.02620%0.204CC..  trans-87.3166.6168.6-60.2-178.1000110.2T39 L49 S70 H73 V74 L75 G108 V110T39-L68 HydrophobicContact CG2-CD2 4.28Å; L49-L68 HydrophobicContact CD1-CD2 3.97Å; L68-S70 PolarHBondContact O-N 3.31Å; L68-H73 HydrophobicContact CB-CB 3.82Å; L68-H73 HydrophobicContact CD1-CB 4.29Å; L68-H73 WeakPolarHBondContact CD1-O 3.44Å; L68-V74 VanDerWaalsContact CD1-C 3.5Å; L68-L75 HydrophobicContact CD2-CD1 4Å; L68-G108 PolarHBondContact N-O 2.95Å; L68-V110 HydrophobicContact CD2-CB 4.34Å; L68-V110 HydrophobicContact CD2-CG1 4.11Å
69P98.3Very high97Very high83 Ų8337.3 Ų37.354%0.53920%0.203SC..SBendtrans-58.7-21.3-172.3-26.835.4000115.8T39T39-P69 HydrophobicContact CG2-CG 4.02Å; T39-P69 VanDerWaalsContact OG1-CD 3.31Å; T39-P69 WeakPolarHBondContact OG1-CD 3.33Å
70S97.8Very high97.3Very high33 Ų3332.4 Ų32.423%0.23118%0.18CC..SBendtrans-153.2165167.182.60000111.1L68 D72 H73 G108L68-S70 PolarHBondContact O-N 3.31Å; S70-D72 PolarHBondContact O-N 2.71Å; S70-D72 PolarHBondContact OG-N 2.79Å; S70-H73 PolarHBondContact N-ND1 2.96Å; S70-H73 WeakPolarHBondContact O-CB 3.34Å; S70-H73 PolarHBondContact O-N 2.65Å; S70-H73 PolarHBondContact OG-ND1 3.09Å; S70-G108 WeakPolarHBondContact O-CA 3.43Å
71P97.1Very high97.6Very high101 Ų10131.6 Ų31.666%0.65618%0.176SC*.THydrogen-bonded Turntrans-58.9-17.8174.5-25.835.7000114.9R107 G108P71-R107 VanDerWaalsContact O-CB 3.29Å; P71-R107 WeakPolarHBondContact O-CB 3.3Å; P71-G108 PolarHBondContact O-N 2.87Å
72D96.5Very high97.9Very high99 Ų9933.4 Ų33.453%0.52918%0.183SC..THydrogen-bonded Turntrans-92.6-11.3177.8-65.4-46.1000113P37 S70P37-D72 WeakPolarHBondContact CD-O 3.5Å; P37-D72 HydrophobicContact CG-CB 4.21Å; S70-D72 PolarHBondContact O-N 2.71Å; S70-D72 PolarHBondContact OG-N 2.79Å
73H98.3Very high98Very high31 Ų3132.5 Ų32.514%0.14418%0.18CC..  trans-71.9146.2-179.5-8370.8000111.9P37 L68 S70 R107 G108P37-H73 HydrophobicContact CG-CB 4.49Å; P37-H73 VanDerWaalsContact O-CA 3.25Å; P37-H73 WeakPolarHBondContact O-CA 3.41Å; P37-H73 PolarHBondContact O-CD2 3.26Å; L68-H73 HydrophobicContact CB-CB 3.82Å; L68-H73 HydrophobicContact CD1-CB 4.29Å; L68-H73 WeakPolarHBondContact CD1-O 3.44Å; S70-H73 PolarHBondContact N-ND1 2.96Å; S70-H73 WeakPolarHBondContact O-CB 3.34Å; S70-H73 PolarHBondContact O-N 2.65Å; S70-H73 PolarHBondContact OG-ND1 3.09Å; H73-R107 CarbonylContact O-C 3.58Å; H73-R107 WeakPolarHBondContact O-CA 3.43Å; H73-G108 PolarHBondContact O-N 2.91Å
74V98.3Very high98Very high4 Ų433 Ų332%0.02418%0.183CC..BIsolated β-bridgetrans-107.8164.7161.5-590000109E36 P37 I38 T39 L68 D104 R107E36-V74 HydrophobicContact CB-CG1 4.28Å; E36-V74 HydrophobicContact CB-CG2 4.31Å; P37-V74 PolarHBondContact O-N 2.67Å; I38-V74 HydrophobicContact CG1-CG2 4.01Å; T39-V74 WeakPolarHBondContact CB-O 3.32Å; T39-V74 PolarHBondContact N-O 3.4Å; T39-V74 PolarHBondContact OG1-O 2.93Å; L68-V74 VanDerWaalsContact CD1-C 3.5Å; V74-D104 HydrophobicContact CB-CB 4.05Å; V74-D104 HydrophobicContact CG1-CB 4.45Å; V74-D104 WeakPolarHBondContact CG1-O 3.31Å; V74-D104 HydrophobicContact CG2-CB 4.32Å; V74-R107 HydrophobicContact CG1-CG 4.21Å
75L98.4Very high98Very high5 Ų533 Ų333%0.02618%0.183CC..  trans-68.9-42.3-179.8-174.964.7000110.8L40 L68 L77 V83 P100 D104 V110L40-L75 WeakPolarHBondContact CB-O 3.27Å; L40-L75 HydrophobicContact CD1-CD1 3.83Å; L40-L75 HydrophobicContact CD1-CD2 4.37Å; L40-L75 HydrophobicContact CD1-CG 3.75Å; L40-L75 HydrophobicContact CD2-CD1 4.46Å; L40-L75 HydrophobicContact CG-CD1 3.9Å; L40-L75 HydrophobicContact CG-CG 4.19Å; L40-L75 VanDerWaalsContact CG-O 3.31Å; L40-L75 WeakPolarHBondContact CG-O 3.49Å; L40-L75 PolarHBondContact N-O 2.98Å; L68-L75 HydrophobicContact CD2-CD1 4Å; L75-L77 HydrophobicContact CD2-CB 3.91Å; L75-L77 HydrophobicContact CD2-CD2 4.17Å; L75-L77 HydrophobicContact CG-CB 4.29Å; L75-V83 HydrophobicContact CD2-CG1 4.13Å; L75-P100 HydrophobicContact CD2-CG 3.8Å; L75-D104 PolarHBondContact N-OD1 3.26Å; L75-V110 HydrophobicContact CD1-CB 4.38Å; L75-V110 HydrophobicContact CD1-CG1 4.48Å; L75-V110 HydrophobicContact CD1-CG2 4.49Å; L75-V110 HydrophobicContact CD2-CB 4.33Å; L75-V110 HydrophobicContact CD2-CG2 3.71Å
76G97.6Very high98Very high11 Ų1130.3 Ų30.311%0.11317%0.173CC..  trans82.549.2-172.900000112D104G76-D104 VanDerWaalsContact CA-OD2 3.26Å; G76-D104 WeakPolarHBondContact CA-OD2 3.3Å; G76-D104 PolarHBondContact N-OD1 3.05Å; G76-D104 PolarHBondContact N-OD2 2.88Å
77L97.8Very high98Very high12 Ų1230.5 Ų30.56%0.06318%0.175CC..  trans-110.5108-176.7-173.869.7000110.9L75 N81 V83 P100 D104 P149L75-L77 HydrophobicContact CD2-CB 3.91Å; L75-L77 HydrophobicContact CD2-CD2 4.17Å; L75-L77 HydrophobicContact CG-CB 4.29Å; L77-N81 HydrophobicContact CD1-CB 3.78Å; L77-N81 HydrophobicContact CG-CB 4.38Å; L77-V83 HydrophobicContact CD1-CG1 4.16Å; L77-P100 HydrophobicContact CD2-CB 4.47Å; L77-P100 HydrophobicContact CD2-CG 3.69Å; L77-D104 PolarHBondContact N-OD1 3.38Å; L77-D104 PolarHBondContact N-OD2 3.07Å; L77-P149 HydrophobicContact CD1-CB 3.76Å
78P96.9Very high97.9Very high53 Ų5333 Ų3334%0.34419%0.185SC..  trans-58.4141.7174.8-23.433.8000112G80 N81 P149 F154P78-G80 PolarHBondContact O-N 2.91Å; P78-N81 VanDerWaalsContact O-CB 3.24Å; P78-N81 WeakPolarHBondContact O-CB 3.33Å; P78-N81 PolarHBondContact O-N 2.78Å; P78-P149 HydrophobicContact CG-CB 4.4Å; P78-P149 HydrophobicContact CG-CG 4.43Å; P78-F154 HydrophobicContact CB-CD1 4.22Å
79V97.8Very high97.7Very high25 Ų2533.7 Ų33.715%0.15219%0.188CC..THydrogen-bonded Turntrans-62.5129.3178.8-179.10000110.2F154 Y155 Q193 L194 H197V79-F154 WeakPolarHBondContact O-CA 3.46Å; V79-Y155 HydrophobicContact CG1-CG 4.49Å; V79-Y155 PolarHBondContact O-N 3.42Å; V79-Q193 HydrophobicContact CG1-CG 4.41Å; V79-L194 HydrophobicContact CG1-CD2 3.68Å; V79-L194 HydrophobicContact CG1-CG 4.34Å; V79-H197 HydrophobicContact CG1-CB 4.01Å; V79-H197 HydrophobicContact CG2-CB 4.16Å
80G96.5Very high97.5Very high1 Ų136.4 Ų36.41%0.0120%0.198CC..THydrogen-bonded Turntrans96.4-6.6-170.900000114.5P78 L153P78-G80 PolarHBondContact O-N 2.91Å; G80-L153 CarbonylContact C-O 3.56Å; G80-L153 VanDerWaalsContact C-O 3.27Å; G80-L153 WeakPolarHBondContact CA-O 3.49Å
81N97.8Very high97.2Very high3 Ų341.3 Ų41.32%0.01622%0.222CC..  trans-101168.2177.6-72.1-116.5000111.8L77 P78 P149 K150 G151 L153 F154 Q193L77-N81 HydrophobicContact CD1-CB 3.78Å; L77-N81 HydrophobicContact CG-CB 4.38Å; P78-N81 VanDerWaalsContact O-CB 3.24Å; P78-N81 WeakPolarHBondContact O-CB 3.33Å; P78-N81 PolarHBondContact O-N 2.78Å; N81-P149 HydrophobicContact CB-CB 4.33Å; N81-K150 CarbonylContact C-O 3.56Å; N81-K150 WeakPolarHBondContact CA-O 3.37Å; N81-K150 VanDerWaalsContact CB-O 3.25Å; N81-K150 WeakPolarHBondContact CB-O 3.33Å; N81-K150 PolarHBondContact OD1-O 3.42Å; N81-G151 WeakPolarHBondContact OD1-CA 3.48Å; N81-G151 PolarHBondContact OD1-N 3.17Å; N81-L153 PolarHBondContact ND2-O 3.3Å; N81-F154 WeakPolarHBondContact ND2-CD1 3.3Å; N81-F154 VanDerWaalsContact ND2-CE1 3.34Å; N81-F154 WeakPolarHBondContact ND2-CE1 3.38Å; N81-Q193 PolarHBondContact O-NE2 3.44Å; N81-Q193 PolarHBondContact O-OE1 3.45Å
82Y98.2Very high97.1Very high40 Ų4041.5 Ų41.516%0.15721%0.214CC..EExtended strand (participates in β ladder)trans-134.8171.3178.960.1-98.6000110.9Q84 A97 Y98 K150Y82-Q84 HydrophobicContact CE2-CG 4.18Å; Y82-A97 HydrophobicContact CD2-CB 3.55Å; Y82-A97 HydrophobicContact CE2-CB 3.57Å; Y82-A97 HydrophobicContact CG-CB 4.26Å; Y82-Y98 WeakPolarHBondContact CB-O 3.35Å; Y82-K150 WeakPolarHBondContact CD1-O 3.35Å; Y82-K150 HydrophobicContact CD2-CB 3.99Å; Y82-K150 HydrophobicContact CE2-CB 3.54Å; Y82-K150 HydrophobicContact CE2-CG 4.43Å; Y82-K150 PolarHBondContact N-O 2.6Å; Y82-K150 PolarHBondContact O-N 3.5Å
83V98.6Very high97.2Very high0 Ų042.2 Ų42.20%022%0.217CC..EExtended strand (participates in β ladder)trans-109.1156.4170.1-61.50000110.3L40 L75 L77 A97 Y98 P100 F146L40-V83 HydrophobicContact CD1-CG1 3.68Å; L75-V83 HydrophobicContact CD2-CG1 4.13Å; L77-V83 HydrophobicContact CD1-CG1 4.16Å; V83-A97 CarbonylContact O-C 3.53Å; V83-A97 WeakPolarHBondContact O-CA 3.39Å; V83-Y98 WeakPolarHBondContact CG2-O 3.43Å; V83-Y98 PolarHBondContact N-O 3.36Å; V83-Y98 PolarHBondContact O-N 3.04Å; V83-P100 HydrophobicContact CG2-CG 4.24Å; V83-F146 HydrophobicContact CB-CD1 4.13Å; V83-F146 HydrophobicContact CG1-CD1 4.33Å; V83-F146 HydrophobicContact CG2-CD1 3.79Å; V83-F146 HydrophobicContact CG2-CE1 3.9Å
84Q98.6Very high97.2Very high36 Ų3641 Ų4117%0.16821%0.212CC..EExtended strand (participates in β ladder)trans-102.1130.8167.4-68.4-178.9-25.200109.3Y82 L86 V95 R96 F146 R147 K150Y82-Q84 HydrophobicContact CE2-CG 4.18Å; Q84-L86 HydrophobicContact CB-CD1 4.27Å; Q84-L86 WeakPolarHBondContact O-CD1 3.41Å; Q84-V95 HydrophobicContact CB-CG1 3.91Å; Q84-V95 HydrophobicContact CG-CG1 4.16Å; Q84-R96 CarbonylContact C-O 3.55Å; Q84-R96 VanDerWaalsContact CA-O 3.31Å; Q84-R96 WeakPolarHBondContact CA-O 3.35Å; Q84-F146 CarbonylContact O-C 3.56Å; Q84-F146 WeakPolarHBondContact O-CA 3.18Å; Q84-R147 HydrophobicContact CB-CB 4.45Å; Q84-R147 PolarHBondContact N-O 3.04Å; Q84-R147 PolarHBondContact O-N 3.11Å; Q84-R147 VanDerWaalsContact OE1-CZ 3.32Å; Q84-R147 VanDerWaalsContact OE1-NE 3.08Å; Q84-K150 HydrophobicContact CG-CG 4.36Å
85L98.8Very high97.2Very high0 Ų042.7 Ų42.70%022%0.222CC..EExtended strand (participates in β ladder)trans-92136.4165-60.2-174.2000109.7V95 R96 Y98 L112 M131 L135 I144 F145 F146L85-V95 WeakPolarHBondContact O-CA 3.39Å; L85-R96 PolarHBondContact N-O 2.84Å; L85-R96 PolarHBondContact O-N 3.25Å; L85-Y98 HydrophobicContact CB-CD2 4.1Å; L85-Y98 HydrophobicContact CB-CE2 4.07Å; L85-Y98 HydrophobicContact CD1-CD2 3.58Å; L85-Y98 HydrophobicContact CD1-CE2 3.63Å; L85-Y98 HydrophobicContact CD1-CG 4.37Å; L85-Y98 HydrophobicContact CG-CD2 3.59Å; L85-Y98 HydrophobicContact CG-CE2 3.93Å; L85-L112 HydrophobicContact CD1-CD1 3.68Å; L85-L112 HydrophobicContact CD2-CD1 4.26Å; L85-L112 HydrophobicContact CG-CD1 4.28Å; L85-M131 HydrophobicContact CB-CE 4.22Å; L85-M131 HydrophobicContact CB-SD 4.36Å; L85-L135 HydrophobicContact CD1-CD1 4.09Å; L85-L135 HydrophobicContact CD1-CD2 4.06Å; L85-I144 HydrophobicContact CB-CD1 3.9Å; L85-I144 HydrophobicContact CB-CG1 4.49Å; L85-I144 HydrophobicContact CD1-CD1 4.06Å; L85-I144 HydrophobicContact CD2-CG2 4.26Å; L85-I144 HydrophobicContact CG-CD1 4.42Å; L85-F145 WeakPolarHBondContact CA-O 3.38Å; L85-F146 HydrophobicContact CD2-CD1 3.86Å; L85-F146 HydrophobicContact CD2-CD2 3.59Å; L85-F146 HydrophobicContact CD2-CE1 3.73Å; L85-F146 HydrophobicContact CD2-CE2 3.45Å; L85-F146 VanDerWaalsContact CD2-CE2 3.45Å; L85-F146 HydrophobicContact CD2-CG 3.79Å; L85-F146 HydrophobicContact CD2-CZ 3.52Å
86L98.6Very high97.1Very high5 Ų548.3 Ų48.33%0.02624%0.243CC..EExtended strand (participates in β ladder)trans-124.1126.7179-57.589.7000109.7Q84 L93 V94 V95 I144 F145 R147Q84-L86 HydrophobicContact CB-CD1 4.27Å; Q84-L86 WeakPolarHBondContact O-CD1 3.41Å; L86-L93 HydrophobicContact CB-CD1 4.27Å; L86-L93 HydrophobicContact CD2-CD1 4.5Å; L86-V94 WeakPolarHBondContact CA-O 3.17Å; L86-V95 HydrophobicContact CD2-CG2 3.86Å; L86-V95 HydrophobicContact CG-CG1 4.15Å; L86-V95 HydrophobicContact CG-CG2 3.94Å; L86-I144 WeakPolarHBondContact O-CG1 3.34Å; L86-F145 HydrophobicContact CB-CB 4.1Å; L86-F145 HydrophobicContact CD1-CB 4.48Å; L86-F145 PolarHBondContact N-O 3.47Å; L86-F145 PolarHBondContact O-N 3.32Å; L86-R147 HydrophobicContact CD1-CB 3.57Å
87A97.8Very high97.1Very high5 Ų550.4 Ų50.44%0.04126%0.26CS..EExtended strand (participates in β ladder)trans-141148174.900000110.3I89 V94 M131 Y134 I144A87-I89 HydrophobicContact CB-CD1 4.23Å; A87-I89 HydrophobicContact CB-CG1 3.99Å; A87-V94 PolarHBondContact N-O 2.94Å; A87-V94 VanDerWaalsContact N-O 3.09Å; A87-V94 PolarHBondContact O-N 3.41Å; A87-M131 HydrophobicContact CB-CE 3.95Å; A87-M131 HydrophobicContact CB-SD 4.31Å; A87-Y134 HydrophobicContact CB-CD1 3.88Å; A87-Y134 HydrophobicContact CB-CE1 3.56Å; A87-Y134 HydrophobicContact CB-CE2 4.3Å; A87-Y134 HydrophobicContact CB-CG 4.38Å; A87-I144 HydrophobicContact CB-CD1 4.3Å; A87-I144 HydrophobicContact CB-CG1 4.48Å
88K96.8Very high97.2Very high142 Ų14251.5 Ų51.562%0.61726%0.263SS*.EExtended strand (participates in β ladder)trans-89110.3168.7-171.9174.9177.1-179.20108N91 E92K88-N91 VanDerWaalsContact CE-OD1 3.26Å; K88-N91 WeakPolarHBondContact CE-OD1 3.47Å; K88-E92 CarbonylContact C-O 3.56Å; K88-E92 WeakPolarHBondContact CA-O 3.38Å
89I95.9Very high97.2Very high18 Ų1849.5 Ų49.59%0.09225%0.25CC..EExtended strand (participates in β ladder)trans-122.1120.9-176.6-52176.1000106.7A87 N91 E92 V94 K130 Y134A87-I89 HydrophobicContact CB-CD1 4.23Å; A87-I89 HydrophobicContact CB-CG1 3.99Å; I89-N91 VanDerWaalsContact C-N 3.25Å; I89-N91 PolarHBondContact O-N 2.86Å; I89-E92 PolarHBondContact N-O 2.79Å; I89-E92 PolarHBondContact O-N 2.91Å; I89-V94 HydrophobicContact CB-CG2 3.93Å; I89-V94 HydrophobicContact CD1-CB 3.85Å; I89-V94 HydrophobicContact CD1-CG1 4.22Å; I89-V94 HydrophobicContact CD1-CG2 3.9Å; I89-V94 HydrophobicContact CG1-CB 4.31Å; I89-V94 HydrophobicContact CG1-CG2 4.11Å; I89-K130 HydrophobicContact CD1-CB 4.38Å; I89-Y134 HydrophobicContact CD1-CD2 4.15Å; I89-Y134 HydrophobicContact CD1-CG 3.85Å; I89-Y134 HydrophobicContact CG1-CD2 3.82Å; I89-Y134 HydrophobicContact CG1-CE2 4.43Å; I89-Y134 HydrophobicContact CG1-CG 4.03Å
90D92.7Very high97.2Very high141 Ų14148.3 Ų48.375%0.75424%0.243SC*.THydrogen-bonded Turntrans51.743.4-177.2-52.4-40.5000113.3E92D90-E92 PolarHBondContact O-N 2.9Å; D90-E92 VanDerWaalsContact O-N 3.14Å
91N92.3Very high97.2Very high136 Ų13649.1 Ų49.173%0.72725%0.248SC*.THydrogen-bonded Turntrans64.51.1-174-73.3-23000117.2K88 I89K88-N91 VanDerWaalsContact CE-OD1 3.26Å; K88-N91 WeakPolarHBondContact CE-OD1 3.47Å; I89-N91 VanDerWaalsContact C-N 3.25Å; I89-N91 PolarHBondContact O-N 2.86Å
92E95.6Very high97.2Very high104 Ų10449.4 Ų49.449%0.48625%0.25SC..EExtended strand (participates in β ladder)trans-96.6141.3174.3-63-177.9163.200111.4K88 I89 D90 V94 K130K88-E92 CarbonylContact C-O 3.56Å; K88-E92 WeakPolarHBondContact CA-O 3.38Å; I89-E92 PolarHBondContact N-O 2.79Å; I89-E92 PolarHBondContact O-N 2.91Å; D90-E92 PolarHBondContact O-N 2.9Å; D90-E92 VanDerWaalsContact O-N 3.14Å; E92-V94 PolarHBondContact O-N 3.46Å; E92-K130 IonicContact OE2-NZ 2.76Å; E92-K130 PolarHBondContact OE2-NZ 2.68Å
93L97.1Very high97.1Very high114 Ų11449.9 Ų49.960%0.59726%0.259SS*.EExtended strand (participates in β ladder)trans-77.3109.5169.2-179.564.4000109.2L86 V95L86-L93 HydrophobicContact CB-CD1 4.27Å; L86-L93 HydrophobicContact CD2-CD1 4.5Å; L93-V95 HydrophobicContact CD2-CG2 4.34Å; L93-V95 HydrophobicContact CG-CG2 4.05Å
94V98.3Very high97Very high7 Ų752.3 Ų52.34%0.04227%0.272CS..EExtended strand (participates in β ladder)trans-98.9123.4175.5-1770000109.1L86 A87 I89 E92 R96 K130 M131L86-V94 WeakPolarHBondContact CA-O 3.17Å; A87-V94 PolarHBondContact N-O 2.94Å; A87-V94 VanDerWaalsContact N-O 3.09Å; A87-V94 PolarHBondContact O-N 3.41Å; I89-V94 HydrophobicContact CB-CG2 3.93Å; I89-V94 HydrophobicContact CD1-CB 3.85Å; I89-V94 HydrophobicContact CD1-CG1 4.22Å; I89-V94 HydrophobicContact CD1-CG2 3.9Å; I89-V94 HydrophobicContact CG1-CB 4.31Å; I89-V94 HydrophobicContact CG1-CG2 4.11Å; E92-V94 PolarHBondContact O-N 3.46Å; V94-R96 HydrophobicContact CG1-CG 4.32Å; V94-K130 HydrophobicContact CG1-CB 4.4Å; V94-K130 HydrophobicContact CG2-CB 4.44Å; V94-K130 HydrophobicContact CG2-CD 4.17Å; V94-M131 HydrophobicContact CB-CE 4.3Å; V94-M131 HydrophobicContact CG1-CB 4.19Å; V94-M131 HydrophobicContact CG1-CE 4.07Å; V94-M131 VanDerWaalsContact O-CE 3.28Å; V94-M131 WeakPolarHBondContact O-CE 3.39Å
95V98.2Very high96.8Very high39 Ų3955.3 Ų55.324%0.23629%0.289CS..EExtended strand (participates in β ladder)trans-118.6128.7177.6-174.40000109.5Q84 L85 L86 L93Q84-V95 HydrophobicContact CB-CG1 3.91Å; Q84-V95 HydrophobicContact CG-CG1 4.16Å; L85-V95 WeakPolarHBondContact O-CA 3.39Å; L86-V95 HydrophobicContact CD2-CG2 3.86Å; L86-V95 HydrophobicContact CG-CG1 4.15Å; L86-V95 HydrophobicContact CG-CG2 3.94Å; L93-V95 HydrophobicContact CD2-CG2 4.34Å; L93-V95 HydrophobicContact CG-CG2 4.05Å
96R98.1Very high96.7Very high122 Ų12258 Ų5846%0.4630%0.303SS..EExtended strand (participates in β ladder)trans-138.5141177.8-68.6-63.3-179.9-914111.5Q84 L85 V94 Y98 M131Q84-R96 CarbonylContact C-O 3.55Å; Q84-R96 VanDerWaalsContact CA-O 3.31Å; Q84-R96 WeakPolarHBondContact CA-O 3.35Å; L85-R96 PolarHBondContact N-O 2.84Å; L85-R96 PolarHBondContact O-N 3.25Å; V94-R96 HydrophobicContact CG1-CG 4.32Å; R96-Y98 HydrophobicContact CB-CD2 4.34Å; R96-Y98 HydrophobicContact CB-CE2 3.55Å; R96-M131 HydrophobicContact CB-CB 4.31Å; R96-M131 HydrophobicContact CB-CG 4.12Å; R96-M131 HydrophobicContact CG-CB 3.68Å; R96-M131 HydrophobicContact CG-CG 4.06Å
97A97.8Very high96.7Very high56 Ų5663.8 Ų63.846%0.46333%0.325SS..EExtended strand (participates in β ladder)trans-82.7138.4176.600000110.8Y82 V83Y82-A97 HydrophobicContact CD2-CB 3.55Å; Y82-A97 HydrophobicContact CE2-CB 3.57Å; Y82-A97 HydrophobicContact CG-CB 4.26Å; V83-A97 CarbonylContact O-C 3.53Å; V83-A97 WeakPolarHBondContact O-CA 3.39Å
98Y98.2Very high96.7Very high34 Ų3464 Ų6413%0.13333%0.328CS..EExtended strand (participates in β ladder)trans-141130.6173.7-65.1-84.2000109.2Y82 V83 L85 R96 P100 L112 I114 M131Y82-Y98 WeakPolarHBondContact CB-O 3.35Å; V83-Y98 WeakPolarHBondContact CG2-O 3.43Å; V83-Y98 PolarHBondContact N-O 3.36Å; V83-Y98 PolarHBondContact O-N 3.04Å; L85-Y98 HydrophobicContact CB-CD2 4.1Å; L85-Y98 HydrophobicContact CB-CE2 4.07Å; L85-Y98 HydrophobicContact CD1-CD2 3.58Å; L85-Y98 HydrophobicContact CD1-CE2 3.63Å; L85-Y98 HydrophobicContact CD1-CG 4.37Å; L85-Y98 HydrophobicContact CG-CD2 3.59Å; L85-Y98 HydrophobicContact CG-CE2 3.93Å; R96-Y98 HydrophobicContact CB-CD2 4.34Å; R96-Y98 HydrophobicContact CB-CE2 3.55Å; Y98-P100 WeakPolarHBondContact O-CD 3.24Å; Y98-L112 HydrophobicContact CG-CD1 4.39Å; Y98-I114 HydrophobicContact CD1-CD1 3.64Å; Y98-I114 HydrophobicContact CD1-CG1 3.74Å; Y98-I114 HydrophobicContact CE1-CB 4.43Å; Y98-I114 HydrophobicContact CE1-CD1 3.48Å; Y98-I114 VanDerWaalsContact CE1-CD1 3.48Å; Y98-I114 HydrophobicContact CE1-CG1 3.68Å; Y98-I114 HydrophobicContact CE1-CG2 3.95Å; Y98-I114 HydrophobicContact CG-CD1 4.29Å; Y98-M131 HydrophobicContact CE2-CG 3.96Å; Y98-M131 WeakPolarHBondContact OH-CG 3.48Å
99T98.4Very high96.8Very high11 Ų1159.1 Ų59.17%0.06731%0.307CS..  trans-89.7118167.8-54.10000108.6T189 Q193T99-T189 WeakPolarHBondContact O-CB 3.29Å; T99-T189 PolarHBondContact O-OG1 3.03Å; T99-Q193 HydrophobicContact CG2-CB 4.18Å
100P98.1Very high96.9Very high1 Ų158.3 Ų58.31%0.00630%0.302CS..  trans-57.6151.3172.9-23.934.9000113L75 L77 V83 Y98 V110 D111 L112L75-P100 HydrophobicContact CD2-CG 3.8Å; L77-P100 HydrophobicContact CD2-CB 4.47Å; L77-P100 HydrophobicContact CD2-CG 3.69Å; V83-P100 HydrophobicContact CG2-CG 4.24Å; Y98-P100 WeakPolarHBondContact O-CD 3.24Å; P100-V110 HydrophobicContact CB-CG2 3.68Å; P100-V110 HydrophobicContact CG-CG2 3.77Å; P100-D111 WeakPolarHBondContact CA-O 3.37Å; P100-L112 HydrophobicContact CB-CD2 3.89Å; P100-L112 HydrophobicContact CG-CD2 3.75Å
101V96.2Very high97.2Very high18 Ų1852.2 Ų52.211%0.10927%0.27CS..SBendtrans-99.4-5170.8-60.20000111.8D111 I113 T189 L192 R196V101-D111 HydrophobicContact CG2-CB 3.79Å; V101-D111 WeakPolarHBondContact CG2-O 3.38Å; V101-D111 PolarHBondContact N-O 2.72Å; V101-I113 HydrophobicContact CB-CD1 4.43Å; V101-I113 HydrophobicContact CG1-CB 4.22Å; V101-I113 HydrophobicContact CG1-CD1 4.05Å; V101-I113 HydrophobicContact CG1-CG1 4.11Å; V101-I113 HydrophobicContact CG2-CD1 3.95Å; V101-I113 HydrophobicContact CG2-CG1 3.79Å; V101-T189 HydrophobicContact CG1-CG2 3.82Å; V101-L192 HydrophobicContact CG1-CD2 4.2Å; V101-R196 PolarHBondContact O-NH1 3.4Å
102S97.1Very high97.5Very high9 Ų945.8 Ų45.86%0.06324%0.236CC..SBendtrans-84.5163.2161.757.40000110.4D106 V110 D111S102-D106 WeakPolarHBondContact CA-OD2 3.36Å; S102-D106 VanDerWaalsContact CB-OD2 3.24Å; S102-D106 WeakPolarHBondContact CB-OD2 3.33Å; S102-V110 WeakPolarHBondContact OG-CA 3.48Å; S102-D111 PolarHBondContact OG-N 2.75Å
103S96.4Very high97.5Very high49 Ų4941.9 Ų41.934%0.34322%0.218SC..  trans-118.7179.4172.272.70000111.3D105 D106S103-D105 PolarHBondContact O-N 2.96Å; S103-D105 VanDerWaalsContact O-N 3.15Å; S103-D105 VanDerWaalsContact OG-CB 3.29Å; S103-D105 WeakPolarHBondContact OG-CB 3.48Å; S103-D105 PolarHBondContact OG-N 3.07Å; S103-D105 VanDerWaalsContact OG-N 3.09Å; S103-D105 PolarHBondContact OG-OD2 3.25Å; S103-D106 PolarHBondContact N-OD2 3.22Å; S103-D106 WeakPolarHBondContact O-CB 3.49Å; S103-D106 PolarHBondContact O-N 3.11Å
104D96.3Very high97.4Very high52 Ų5236.6 Ų36.628%0.27819%0.19SC..THydrogen-bonded Turntrans-71.54170.5-71.7-16.2000112.9V74 L75 G76 L77V74-D104 HydrophobicContact CB-CB 4.05Å; V74-D104 HydrophobicContact CG1-CB 4.45Å; V74-D104 WeakPolarHBondContact CG1-O 3.31Å; V74-D104 HydrophobicContact CG2-CB 4.32Å; L75-D104 PolarHBondContact N-OD1 3.26Å; G76-D104 VanDerWaalsContact CA-OD2 3.26Å; G76-D104 WeakPolarHBondContact CA-OD2 3.3Å; G76-D104 PolarHBondContact N-OD1 3.05Å; G76-D104 PolarHBondContact N-OD2 2.88Å; L77-D104 PolarHBondContact N-OD1 3.38Å; L77-D104 PolarHBondContact N-OD2 3.07Å
105D94.5Very high97.2Very high99 Ų9937.2 Ų37.253%0.52919%0.192SC..THydrogen-bonded Turntrans-81.3-22.8164.6-55.5-75000112.2S103 K200S103-D105 PolarHBondContact O-N 2.96Å; S103-D105 VanDerWaalsContact O-N 3.15Å; S103-D105 VanDerWaalsContact OG-CB 3.29Å; S103-D105 WeakPolarHBondContact OG-CB 3.48Å; S103-D105 PolarHBondContact OG-N 3.07Å; S103-D105 VanDerWaalsContact OG-N 3.09Å; S103-D105 PolarHBondContact OG-OD2 3.25Å; D105-K200 IonicContact OD1-NZ 3.78Å; D105-K200 PolarHBondContact OD1-NZ 3.02Å; D105-K200 IonicContact OD2-NZ 2.82Å; D105-K200 PolarHBondContact OD2-NZ 3.49Å
106D96.9Very high97.1Very high56 Ų5635.4 Ų35.430%0.29918%0.181SC..SBendtrans-86.7119.1178.1-60.7-60.8000109.3S102 S103 F109S102-D106 WeakPolarHBondContact CA-OD2 3.36Å; S102-D106 VanDerWaalsContact CB-OD2 3.24Å; S102-D106 WeakPolarHBondContact CB-OD2 3.33Å; S103-D106 PolarHBondContact N-OD2 3.22Å; S103-D106 WeakPolarHBondContact O-CB 3.49Å; S103-D106 PolarHBondContact O-N 3.11Å; D106-F109 HydrophobicContact CB-CE1 4.17Å; D106-F109 HydrophobicContact CB-CE2 4.05Å; D106-F109 HydrophobicContact CB-CZ 3.71Å
107R97.7Very high96.9Very high127 Ų12735.1 Ų35.148%0.47918%0.181SC..  trans-100.9144.6-177.7-58.5-175178.71771.1111.9E36 P71 H73 V74 F109E36-R107 IonicContact OE1-CZ 2.68Å; E36-R107 IonicContact OE1-NE 2.68Å; E36-R107 PolarHBondContact OE1-NE 3.16Å; E36-R107 IonicContact OE1-NH2 3.91Å; E36-R107 PolarHBondContact OE1-NH2 3.19Å; P71-R107 VanDerWaalsContact O-CB 3.29Å; P71-R107 WeakPolarHBondContact O-CB 3.3Å; H73-R107 CarbonylContact O-C 3.58Å; H73-R107 WeakPolarHBondContact O-CA 3.43Å; V74-R107 HydrophobicContact CG1-CG 4.21Å; R107-F109 VanDerWaalsContact O-CD1 3.28Å; R107-F109 WeakPolarHBondContact O-CD1 2.95Å; R107-F109 PolarHBondContact O-N 2.82Å
108G98.3Very high96.9Very high10 Ų1035.8 Ų35.810%0.10317%0.174CC..SBendtrans79.3-7.9173.900000115.4L68 S70 P71 H73L68-G108 PolarHBondContact N-O 2.95Å; S70-G108 WeakPolarHBondContact O-CA 3.43Å; P71-G108 PolarHBondContact O-N 2.87Å; H73-G108 PolarHBondContact O-N 2.91Å
109F98.8Very high96.8Very high39 Ų3940.3 Ų40.317%0.17119%0.194CC..EExtended strand (participates in β ladder)trans-148.5164.3179.170.1-90.5000113.9R65 F66 D106 R107 D111R65-F109 HydrophobicContact CG-CB 3.69Å; R65-F109 HydrophobicContact CG-CD2 3.89Å; R65-F109 HydrophobicContact CG-CG 4Å; R65-F109 VanDerWaalsContact NE-CD2 3.33Å; R65-F109 VanDerWaalsContact NH2-CE2 3.34Å; F66-F109 CarbonylContact O-C 3.59Å; F66-F109 WeakPolarHBondContact O-CA 3.25Å; F66-F109 WeakPolarHBondContact O-CB 3.45Å; D106-F109 HydrophobicContact CB-CE1 4.17Å; D106-F109 HydrophobicContact CB-CE2 4.05Å; D106-F109 HydrophobicContact CB-CZ 3.71Å; R107-F109 VanDerWaalsContact O-CD1 3.28Å; R107-F109 WeakPolarHBondContact O-CD1 2.95Å; R107-F109 PolarHBondContact O-N 2.82Å; F109-D111 WeakPolarHBondContact CE2-OD2 3.31Å
110V98.8Very high96.6Very high0 Ų046.2 Ų46.20%023%0.225CC..EExtended strand (participates in β ladder)trans-129.1131.5166.456.60000110.2L49 R65 F66 L68 L75 P100 S102 L112 F146L49-V110 HydrophobicContact CD1-CG1 4.03Å; R65-V110 WeakPolarHBondContact CA-O 3.17Å; F66-V110 HydrophobicContact CB-CG1 3.82Å; F66-V110 PolarHBondContact N-O 3Å; F66-V110 PolarHBondContact O-N 3.01Å; L68-V110 HydrophobicContact CD2-CB 4.34Å; L68-V110 HydrophobicContact CD2-CG1 4.11Å; L75-V110 HydrophobicContact CD1-CB 4.38Å; L75-V110 HydrophobicContact CD1-CG1 4.48Å; L75-V110 HydrophobicContact CD1-CG2 4.49Å; L75-V110 HydrophobicContact CD2-CB 4.33Å; L75-V110 HydrophobicContact CD2-CG2 3.71Å; P100-V110 HydrophobicContact CB-CG2 3.68Å; P100-V110 HydrophobicContact CG-CG2 3.77Å; S102-V110 WeakPolarHBondContact OG-CA 3.48Å; V110-L112 HydrophobicContact CG2-CD2 4.41Å; V110-F146 HydrophobicContact CG1-CE1 3.8Å; V110-F146 HydrophobicContact CG1-CZ 3.92Å; V110-F146 HydrophobicContact CG2-CE1 4.37Å
111D98.6Very high96.4Very high14 Ų1451.3 Ų51.38%0.07526%0.256CS..EExtended strand (participates in β ladder)trans-104.7131.1177.3-81.3-33.8000111.8R63 F64 R65 P100 V101 S102 F109R63-D111 HydrophobicContact CG-CB 4.23Å; R63-D111 IonicContact NH1-OD1 2.54Å; R63-D111 PolarHBondContact NH1-OD1 3.07Å; R63-D111 IonicContact NH1-OD2 2.96Å; F64-D111 CarbonylContact O-C 3.53Å; F64-D111 WeakPolarHBondContact O-CA 3.27Å; R65-D111 WeakPolarHBondContact CA-OD1 3.5Å; R65-D111 WeakPolarHBondContact CB-OD1 3.42Å; R65-D111 VanDerWaalsContact CG-OD1 3.29Å; R65-D111 WeakPolarHBondContact CG-OD1 3.27Å; R65-D111 IonicContact CZ-OD1 3.74Å; R65-D111 IonicContact CZ-OD2 3.52Å; R65-D111 IonicContact NE-OD1 3.71Å; R65-D111 PolarHBondContact NE-OD1 3.17Å; R65-D111 IonicContact NE-OD2 2.65Å; R65-D111 PolarHBondContact NE-OD2 3.15Å; R65-D111 IonicContact NH2-OD1 3.09Å; R65-D111 IonicContact NH2-OD2 2.79Å; R65-D111 PolarHBondContact NH2-OD2 3.45Å; P100-D111 WeakPolarHBondContact CA-O 3.37Å; V101-D111 HydrophobicContact CG2-CB 3.79Å; V101-D111 WeakPolarHBondContact CG2-O 3.38Å; V101-D111 PolarHBondContact N-O 2.72Å; S102-D111 PolarHBondContact OG-N 2.75Å; F109-D111 WeakPolarHBondContact CE2-OD2 3.31Å
112L98.3Very high96Very high1 Ų154.3 Ų54.31%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-116.9128.8170.9-55.7-175.6000110.2R63 F64 F66 L85 Y98 P100 V110 I114 F146R63-L112 CarbonylContact C-O 3.58Å; R63-L112 WeakPolarHBondContact CA-O 3.43Å; F64-L112 PolarHBondContact N-O 3.3Å; F64-L112 PolarHBondContact O-N 3.26Å; F66-L112 HydrophobicContact CE2-CD1 4.01Å; F66-L112 HydrophobicContact CE2-CG 4.34Å; L85-L112 HydrophobicContact CD1-CD1 3.68Å; L85-L112 HydrophobicContact CD2-CD1 4.26Å; L85-L112 HydrophobicContact CG-CD1 4.28Å; Y98-L112 HydrophobicContact CG-CD1 4.39Å; P100-L112 HydrophobicContact CB-CD2 3.89Å; P100-L112 HydrophobicContact CG-CD2 3.75Å; V110-L112 HydrophobicContact CG2-CD2 4.41Å; L112-I114 HydrophobicContact CB-CD1 3.87Å; L112-I114 HydrophobicContact CB-CG1 4.04Å; L112-I114 HydrophobicContact CD1-CD1 4.09Å; L112-F146 HydrophobicContact CD1-CE1 4.31Å; L112-F146 HydrophobicContact CD1-CZ 4.07Å
113I95.8Very high95.6Very high21 Ų2159.6 Ų59.611%0.10830%0.302CS..EExtended strand (participates in β ladder)trans-97.6120168.3-67.5177.8000108.9I57 T61 R62 R63 V101 L221 V222I57-I113 HydrophobicContact CD1-CD1 3.99Å; I57-I113 HydrophobicContact CD1-CG1 3.99Å; I57-I113 HydrophobicContact CD1-CG2 4.06Å; T61-I113 HydrophobicContact CG2-CG2 3.61Å; R62-I113 WeakPolarHBondContact O-CA 3.46Å; R63-I113 HydrophobicContact CB-CG1 4.42Å; V101-I113 HydrophobicContact CB-CD1 4.43Å; V101-I113 HydrophobicContact CG1-CB 4.22Å; V101-I113 HydrophobicContact CG1-CD1 4.05Å; V101-I113 HydrophobicContact CG1-CG1 4.11Å; V101-I113 HydrophobicContact CG2-CD1 3.95Å; V101-I113 HydrophobicContact CG2-CG1 3.79Å; I113-L221 HydrophobicContact CG2-CD1 4.34Å; I113-V222 HydrophobicContact CD1-CG1 3.89Å
114I95.3Very high95.3Very high3 Ų364.1 Ų64.12%0.01532%0.318CS..EExtended strand (participates in β ladder)trans-133.3128.6-170.8-59.4177.6000110T61 R62 F64 Y98 L112 I116 T132 L135T61-I114 WeakPolarHBondContact CA-O 3.4Å; R62-I114 PolarHBondContact N-O 3.32Å; R62-I114 PolarHBondContact O-N 2.94Å; F64-I114 HydrophobicContact CD2-CB 4.15Å; F64-I114 HydrophobicContact CD2-CD1 3.98Å; F64-I114 HydrophobicContact CD2-CG1 4.25Å; F64-I114 HydrophobicContact CE2-CB 3.94Å; F64-I114 HydrophobicContact CE2-CD1 4.29Å; F64-I114 HydrophobicContact CE2-CG1 4.49Å; Y98-I114 HydrophobicContact CD1-CD1 3.64Å; Y98-I114 HydrophobicContact CD1-CG1 3.74Å; Y98-I114 HydrophobicContact CE1-CB 4.43Å; Y98-I114 HydrophobicContact CE1-CD1 3.48Å; Y98-I114 VanDerWaalsContact CE1-CD1 3.48Å; Y98-I114 HydrophobicContact CE1-CG1 3.68Å; Y98-I114 HydrophobicContact CE1-CG2 3.95Å; Y98-I114 HydrophobicContact CG-CD1 4.29Å; L112-I114 HydrophobicContact CB-CD1 3.87Å; L112-I114 HydrophobicContact CB-CG1 4.04Å; L112-I114 HydrophobicContact CD1-CD1 4.09Å; I114-I116 HydrophobicContact CG2-CD1 4.26Å; I114-T132 HydrophobicContact CG2-CG2 3.65Å; I114-L135 HydrophobicContact CD1-CD1 3.48Å; I114-L135 VanDerWaalsContact CD1-CD1 3.48Å; I114-L135 HydrophobicContact CG2-CD1 4.49Å
115K93.4Very high95.1Very high20 Ų2068.8 Ų68.89%0.08733%0.333CS..EExtended strand (participates in β ladder)trans-80123.8168.1-167.1171.3-166.5164.20109.7N60 Y117 T132 T186 D219N60-K115 VanDerWaalsContact CG-CE 3.43Å; N60-K115 WeakPolarHBondContact ND2-CE 3.07Å; N60-K115 CarbonylContact O-C 3.57Å; N60-K115 VanDerWaalsContact O-CA 3.3Å; N60-K115 WeakPolarHBondContact O-CA 3.43Å; N60-K115 WeakPolarHBondContact OD1-CE 3.31Å; K115-Y117 HydrophobicContact CD-CE1 4.33Å; K115-T132 WeakPolarHBondContact O-CG2 3.34Å; K115-T186 HydrophobicContact CB-CG2 3.43Å; K115-T186 VanDerWaalsContact CB-CG2 3.43Å; K115-D219 IonicContact NZ-OD1 3.15Å; K115-D219 PolarHBondContact NZ-OD1 2.85Å
116I96Very high95.1Very high2 Ų267 Ų671%0.0133%0.327CS..  trans-82.9120.2177.4-45.4-52.7000108.9N60 R62 F64 I114 F118 E136N60-I116 PolarHBondContact O-N 3.24Å; R62-I116 HydrophobicContact CG-CD1 4.02Å; R62-I116 HydrophobicContact CG-CG1 3.91Å; F64-I116 HydrophobicContact CE2-CD1 4.06Å; F64-I116 HydrophobicContact CZ-CD1 4.05Å; I114-I116 HydrophobicContact CG2-CD1 4.26Å; I116-F118 HydrophobicContact CB-CD2 4.43Å; I116-F118 HydrophobicContact CB-CE1 4.31Å; I116-F118 HydrophobicContact CB-CE2 3.93Å; I116-F118 HydrophobicContact CB-CZ 3.85Å; I116-F118 HydrophobicContact CG1-CZ 4.47Å; I116-F118 HydrophobicContact CG2-CD1 3.83Å; I116-F118 HydrophobicContact CG2-CD2 4.25Å; I116-F118 HydrophobicContact CG2-CE1 3.51Å; I116-F118 HydrophobicContact CG2-CE2 3.96Å; I116-F118 HydrophobicContact CG2-CG 4.19Å; I116-F118 HydrophobicContact CG2-CZ 3.57Å; I116-F118 PolarHBondContact O-N 3.24Å; I116-E136 HydrophobicContact CD1-CB 4.17Å; I116-E136 HydrophobicContact CG1-CB 4.36Å; I116-E136 HydrophobicContact CG2-CB 3.93Å; I116-E136 HydrophobicContact CG2-CG 4.23Å
117Y94.6Very high95.1Very high116 Ų11671.4 Ų71.446%0.45535%0.345SS..  trans-9688175.8-64.2-69.2000107.6K115 G128 G129 T132 Q133K115-Y117 HydrophobicContact CD-CE1 4.33Å; Y117-G128 CarbonylContact O-C 3.56Å; Y117-G128 VanDerWaalsContact O-CA 3.3Å; Y117-G128 WeakPolarHBondContact O-CA 3.46Å; Y117-G129 PolarHBondContact O-N 2.94Å; Y117-T132 HydrophobicContact CD2-CG2 4.12Å; Y117-T132 PolarHBondContact N-OG1 3.46Å; Y117-Q133 WeakPolarHBondContact O-CG 3.41Å
118F96.6Very high95Very high70 Ų7066.5 Ų66.531%0.30734%0.335SS..  trans-67.4142.5-179.7-64.2-72.9000111.6N60 I116 V121 E136N60-F118 HydrophobicContact CB-CD2 4.4Å; N60-F118 HydrophobicContact CB-CE2 4.04Å; I116-F118 HydrophobicContact CB-CD2 4.43Å; I116-F118 HydrophobicContact CB-CE1 4.31Å; I116-F118 HydrophobicContact CB-CE2 3.93Å; I116-F118 HydrophobicContact CB-CZ 3.85Å; I116-F118 HydrophobicContact CG1-CZ 4.47Å; I116-F118 HydrophobicContact CG2-CD1 3.83Å; I116-F118 HydrophobicContact CG2-CD2 4.25Å; I116-F118 HydrophobicContact CG2-CE1 3.51Å; I116-F118 HydrophobicContact CG2-CE2 3.96Å; I116-F118 HydrophobicContact CG2-CG 4.19Å; I116-F118 HydrophobicContact CG2-CZ 3.57Å; I116-F118 PolarHBondContact O-N 3.24Å; F118-V121 HydrophobicContact CB-CG2 3.81Å; F118-E136 HydrophobicContact CE1-CG 4.1Å
119K96.7Very high94.9Very high129 Ų12966.8 Ų66.856%0.56134%0.338SS*.THydrogen-bonded Turntrans-57.7154.1166.966.3-178.6179.7-179.60111.7V121 P126K119-V121 PolarHBondContact O-N 2.96Å; K119-P126 CarbonylContact C-O 3.54Å; K119-P126 VanDerWaalsContact CA-O 3.22Å; K119-P126 WeakPolarHBondContact CA-O 3.26Å; K119-P126 WeakPolarHBondContact CB-O 3.44Å
120N95.4Very high94.8Very high134 Ų13469.5 Ų69.572%0.71735%0.349SS*.THydrogen-bonded Turntrans61.321.1178.2-52.6-38.9000115.2P126N120-P126 PolarHBondContact N-O 3.26Å
121V92.4Very high94.8Very high108 Ų10869.6 Ų69.666%0.65535%0.35SS*.THydrogen-bonded Turntrans-104-49.3175.9176.80000112F118 K119F118-V121 HydrophobicContact CB-CG2 3.81Å; K119-V121 PolarHBondContact O-N 2.96Å
122H87.6Confident94.8Very high82 Ų8269.5 Ų69.538%0.3835%0.35SS..BIsolated β-bridgetrans-100124.9-176.7-166.4-83.3000111Q124 Y125H122-Q124 VanDerWaalsContact C-N 3.29Å; H122-Q124 PolarHBondContact ND1-N 3.38Å; H122-Q124 PolarHBondContact O-N 2.76Å; H122-Y125 HydrophobicContact CB-CD2 4.42Å; H122-Y125 AromaticContact CE1-CD2 3.67Å; H122-Y125 AromaticContact CE1-CE2 3.85Å; H122-Y125 AromaticContact CG-CD2 3.85Å; H122-Y125 AromaticContact ND1-CD2 3.25Å; H122-Y125 VanDerWaalsContact ND1-CD2 3.25Å; H122-Y125 WeakPolarHBondContact ND1-CD2 3.33Å; H122-Y125 AromaticContact ND1-CE2 3.91Å; H122-Y125 CarbonylContact O-C 3.54Å; H122-Y125 PolarHBondContact O-N 2.94Å
123P89.9Confident94.8Very high119 Ų11971.1 Ų71.177%0.77336%0.357SS*.THydrogen-bonded Turntrans-63.1-32.6-172.823.6-33.8000113.4
124Q90.3Very high94.9Very high144 Ų14473.8 Ų73.867%0.67337%0.367SS*.THydrogen-bonded Turntrans-82.5-14.5176.8-56.5175.40.800113.4H122 P126H122-Q124 VanDerWaalsContact C-N 3.29Å; H122-Q124 PolarHBondContact ND1-N 3.38Å; H122-Q124 PolarHBondContact O-N 2.76Å; Q124-P126 VanDerWaalsContact C-CD 3.48Å
125Y91.1Very high95Very high150 Ų15073.6 Ų73.659%0.58837%0.366SS*.BIsolated β-bridgetrans-132.663.1-177.2-54-63.6000110.1H122 E127 G128H122-Y125 HydrophobicContact CB-CD2 4.42Å; H122-Y125 AromaticContact CE1-CD2 3.67Å; H122-Y125 AromaticContact CE1-CE2 3.85Å; H122-Y125 AromaticContact CG-CD2 3.85Å; H122-Y125 AromaticContact ND1-CD2 3.25Å; H122-Y125 VanDerWaalsContact ND1-CD2 3.25Å; H122-Y125 WeakPolarHBondContact ND1-CD2 3.33Å; H122-Y125 AromaticContact ND1-CE2 3.91Å; H122-Y125 CarbonylContact O-C 3.54Å; H122-Y125 PolarHBondContact O-N 2.94Å; Y125-E127 PolarHBondContact O-N 2.79Å; Y125-G128 PolarHBondContact O-N 3.42Å; Y125-G128 VanDerWaalsContact O-N 3.08Å
126P95.2Very high95.3Very high61 Ų6174.4 Ų74.440%0.39637%0.37SS..THydrogen-bonded Turntrans-62-31-172.625-34.8000113.1K119 N120 Q124 G128K119-P126 CarbonylContact C-O 3.54Å; K119-P126 VanDerWaalsContact CA-O 3.22Å; K119-P126 WeakPolarHBondContact CA-O 3.26Å; K119-P126 WeakPolarHBondContact CB-O 3.44Å; N120-P126 PolarHBondContact N-O 3.26Å; Q124-P126 VanDerWaalsContact C-CD 3.48Å; P126-G128 VanDerWaalsContact C-N 3.27Å; P126-G128 PolarHBondContact O-N 3.05Å
127E96.1Very high95.4Very high149 Ų14980.3 Ų80.370%0.69640%0.401SS*.THydrogen-bonded Turntrans-75.9-11.3179.1-60.5-51.7124.300114Y125 Q133Y125-E127 PolarHBondContact O-N 2.79Å; E127-Q133 PolarHBondContact O-NE2 3.22Å
128G95.8Very high95.6Very high25 Ų2575 Ų7526%0.25838%0.381SS..  trans66.5-158.8-174.900000113.6Y117 Y125 P126Y117-G128 CarbonylContact O-C 3.56Å; Y117-G128 VanDerWaalsContact O-CA 3.3Å; Y117-G128 WeakPolarHBondContact O-CA 3.46Å; Y125-G128 PolarHBondContact O-N 3.42Å; Y125-G128 VanDerWaalsContact O-N 3.08Å; P126-G128 VanDerWaalsContact C-N 3.27Å; P126-G128 PolarHBondContact O-N 3.05Å
129G96.1Very high95.7Very high16 Ų1679 Ų7917%0.16540%0.398CS..  trans-95.2121.5-178.200000112.2Y117 T132 Q133Y117-G129 PolarHBondContact O-N 2.94Å; G129-T132 PolarHBondContact O-OG1 2.68Å; G129-Q133 VanDerWaalsContact O-CB 3.3Å; G129-Q133 WeakPolarHBondContact O-CB 3.25Å; G129-Q133 VanDerWaalsContact O-CG 3.32Å; G129-Q133 WeakPolarHBondContact O-CG 3.47Å; G129-Q133 PolarHBondContact O-N 2.76Å; G129-Q133 PolarHBondContact O-NE2 3.21Å
130K97.3Very high95.7Very high95 Ų9577.8 Ų77.841%0.41340%0.397SS..Hα-helixtrans-53.6-61.8177.9-69.4-174.4171.5-178.20112.3I89 E92 V94 Y134I89-K130 HydrophobicContact CD1-CB 4.38Å; E92-K130 IonicContact OE2-NZ 2.76Å; E92-K130 PolarHBondContact OE2-NZ 2.68Å; V94-K130 HydrophobicContact CG1-CB 4.4Å; V94-K130 HydrophobicContact CG2-CB 4.44Å; V94-K130 HydrophobicContact CG2-CD 4.17Å; K130-Y134 WeakPolarHBondContact O-CB 3.27Å; K130-Y134 PolarHBondContact O-N 2.66Å
131M98.3Very high95.9Very high3 Ų373.7 Ų73.72%0.01539%0.386CS..Hα-helixtrans-66.2-40.4-177-178.460.573.500112.7L85 A87 V94 R96 Y98 Y134 L135 I144L85-M131 HydrophobicContact CB-CE 4.22Å; L85-M131 HydrophobicContact CB-SD 4.36Å; A87-M131 HydrophobicContact CB-CE 3.95Å; A87-M131 HydrophobicContact CB-SD 4.31Å; V94-M131 HydrophobicContact CB-CE 4.3Å; V94-M131 HydrophobicContact CG1-CB 4.19Å; V94-M131 HydrophobicContact CG1-CE 4.07Å; V94-M131 VanDerWaalsContact O-CE 3.28Å; V94-M131 WeakPolarHBondContact O-CE 3.39Å; R96-M131 HydrophobicContact CB-CB 4.31Å; R96-M131 HydrophobicContact CB-CG 4.12Å; R96-M131 HydrophobicContact CG-CB 3.68Å; R96-M131 HydrophobicContact CG-CG 4.06Å; Y98-M131 HydrophobicContact CE2-CG 3.96Å; Y98-M131 WeakPolarHBondContact OH-CG 3.48Å; M131-Y134 WeakPolarHBondContact O-CB 3.14Å; M131-Y134 PolarHBondContact O-N 2.75Å; M131-Y134 HydrophobicContact SD-CD1 4.31Å; M131-L135 HydrophobicContact CG-CD1 3.96Å; M131-L135 HydrophobicContact CG-CG 4.42Å; M131-L135 VanDerWaalsContact O-CG 3.3Å; M131-L135 WeakPolarHBondContact O-CG 3.35Å; M131-L135 PolarHBondContact O-N 2.88Å; M131-L135 HydrophobicContact SD-CD1 4.32Å; M131-L135 HydrophobicContact SD-CG 4.23Å; M131-I144 HydrophobicContact SD-CD1 3.87Å
132T97.8Very high96.2Very high11 Ų1171.9 Ų71.97%0.06737%0.373CS..Hα-helixtrans-72.2-35.9-175590000112I114 K115 Y117 G129 E136I114-T132 HydrophobicContact CG2-CG2 3.65Å; K115-T132 WeakPolarHBondContact O-CG2 3.34Å; Y117-T132 HydrophobicContact CD2-CG2 4.12Å; Y117-T132 PolarHBondContact N-OG1 3.46Å; G129-T132 PolarHBondContact O-OG1 2.68Å; T132-E136 PolarHBondContact O-N 2.59Å
133Q98.3Very high96.7Very high36 Ų3671.6 Ų71.617%0.16838%0.377CS..Hα-helixtrans-71.2-33.8171-68.3179.110500112.3Y117 E127 G129 E136 N137Y117-Q133 WeakPolarHBondContact O-CG 3.41Å; E127-Q133 PolarHBondContact O-NE2 3.22Å; G129-Q133 VanDerWaalsContact O-CB 3.3Å; G129-Q133 WeakPolarHBondContact O-CB 3.25Å; G129-Q133 VanDerWaalsContact O-CG 3.32Å; G129-Q133 WeakPolarHBondContact O-CG 3.47Å; G129-Q133 PolarHBondContact O-N 2.76Å; G129-Q133 PolarHBondContact O-NE2 3.21Å; Q133-E136 PolarHBondContact O-N 3.18Å; Q133-N137 PolarHBondContact O-N 3.28Å; Q133-N137 VanDerWaalsContact O-N 3.16Å; Q133-N137 PolarHBondContact O-ND2 3.08Å
134Y98.5Very high97.1Very high76 Ų7666.1 Ų66.130%0.29834%0.341SS..Hα-helixtrans-59.1-50.1171.4176.1-91.8000111.3A87 I89 K130 M131 E136 N137 M138 I144A87-Y134 HydrophobicContact CB-CD1 3.88Å; A87-Y134 HydrophobicContact CB-CE1 3.56Å; A87-Y134 HydrophobicContact CB-CE2 4.3Å; A87-Y134 HydrophobicContact CB-CG 4.38Å; I89-Y134 HydrophobicContact CD1-CD2 4.15Å; I89-Y134 HydrophobicContact CD1-CG 3.85Å; I89-Y134 HydrophobicContact CG1-CD2 3.82Å; I89-Y134 HydrophobicContact CG1-CE2 4.43Å; I89-Y134 HydrophobicContact CG1-CG 4.03Å; K130-Y134 WeakPolarHBondContact O-CB 3.27Å; K130-Y134 PolarHBondContact O-N 2.66Å; M131-Y134 WeakPolarHBondContact O-CB 3.14Å; M131-Y134 PolarHBondContact O-N 2.75Å; M131-Y134 HydrophobicContact SD-CD1 4.31Å; Y134-E136 PolarHBondContact O-N 3.16Å; Y134-N137 PolarHBondContact O-N 2.82Å; Y134-N137 VanDerWaalsContact O-N 3.15Å; Y134-M138 HydrophobicContact CD1-CG 4.42Å; Y134-M138 HydrophobicContact CD1-SD 4.37Å; Y134-M138 HydrophobicContact CE1-CG 4.14Å; Y134-M138 HydrophobicContact CE1-SD 3.97Å; Y134-M138 PolarHBondContact O-N 2.82Å; Y134-I144 HydrophobicContact CD1-CD1 4.32Å; Y134-I144 HydrophobicContact CE1-CD1 4.02Å; Y134-I144 HydrophobicContact CE1-CG1 4.49Å
135L98.4Very high97.5Very high0 Ų063.5 Ų63.50%033%0.327CS..Hα-helixtrans-60.4-44.7176.7-70.4165.1000112.3F64 F66 L85 I114 M131 N137 M138 I144F64-L135 HydrophobicContact CE1-CB 3.99Å; F64-L135 VanDerWaalsContact CE1-O 3.25Å; F64-L135 WeakPolarHBondContact CE1-O 3.24Å; F64-L135 HydrophobicContact CE2-CB 4.28Å; F64-L135 HydrophobicContact CZ-CB 3.78Å; F66-L135 HydrophobicContact CZ-CD2 4.17Å; L85-L135 HydrophobicContact CD1-CD1 4.09Å; L85-L135 HydrophobicContact CD1-CD2 4.06Å; I114-L135 HydrophobicContact CD1-CD1 3.48Å; I114-L135 VanDerWaalsContact CD1-CD1 3.48Å; I114-L135 HydrophobicContact CG2-CD1 4.49Å; M131-L135 HydrophobicContact CG-CD1 3.96Å; M131-L135 HydrophobicContact CG-CG 4.42Å; M131-L135 VanDerWaalsContact O-CG 3.3Å; M131-L135 WeakPolarHBondContact O-CG 3.35Å; M131-L135 PolarHBondContact O-N 2.88Å; M131-L135 HydrophobicContact SD-CD1 4.32Å; M131-L135 HydrophobicContact SD-CG 4.23Å; L135-N137 PolarHBondContact O-N 2.93Å; L135-M138 HydrophobicContact CD2-SD 3.73Å; L135-M138 WeakPolarHBondContact O-CB 3.31Å; L135-M138 PolarHBondContact O-N 2.88Å; L135-I144 HydrophobicContact CD2-CD1 3.76Å
136E98.4Very high97.9Very high37 Ų3756.3 Ų56.317%0.17330%0.299CS..Hα-helixtrans-57.6-33.7176.9178.466.5167.800112.2K54 R62 I116 F118 T132 Q133 Y134K54-E136 PolarHBondContact NZ-O 2.84Å; R62-E136 WeakPolarHBondContact CG-OE2 3.39Å; R62-E136 IonicContact CZ-OE1 3.78Å; R62-E136 IonicContact CZ-OE2 3.43Å; R62-E136 IonicContact NE-OE1 2.87Å; R62-E136 PolarHBondContact NE-OE1 2.89Å; R62-E136 IonicContact NE-OE2 2.74Å; R62-E136 PolarHBondContact NE-OE2 3.11Å; R62-E136 IonicContact NH2-OE1 3.29Å; R62-E136 PolarHBondContact NH2-OE1 2.72Å; R62-E136 IonicContact NH2-OE2 3.23Å; I116-E136 HydrophobicContact CD1-CB 4.17Å; I116-E136 HydrophobicContact CG1-CB 4.36Å; I116-E136 HydrophobicContact CG2-CB 3.93Å; I116-E136 HydrophobicContact CG2-CG 4.23Å; F118-E136 HydrophobicContact CE1-CG 4.1Å; T132-E136 PolarHBondContact O-N 2.59Å; Q133-E136 PolarHBondContact O-N 3.18Å; Y134-E136 PolarHBondContact O-N 3.16Å
137N98.1Very high98.1Very high125 Ų12556 Ų5667%0.66829%0.29SS*.Hα-helixtrans-85.7-9179.7-70.1-44.6000114.3Q133 Y134 L135Q133-N137 PolarHBondContact O-N 3.28Å; Q133-N137 VanDerWaalsContact O-N 3.16Å; Q133-N137 PolarHBondContact O-ND2 3.08Å; Y134-N137 PolarHBondContact O-N 2.82Å; Y134-N137 VanDerWaalsContact O-N 3.15Å; L135-N137 PolarHBondContact O-N 2.93Å
138M98.5Very high98.1Very high5 Ų548.9 Ų48.93%0.02526%0.257CS..PPolyproline II helixtrans-62.1138.3174-70.7-17970.200110.9L51 K54 F66 Y134 L135 D142 I144L51-M138 HydrophobicContact CB-CE 4.12Å; L51-M138 HydrophobicContact CD2-CB 3.74Å; K54-M138 PolarHBondContact NZ-O 2.73Å; F66-M138 HydrophobicContact CE1-CE 4.19Å; Y134-M138 HydrophobicContact CD1-CG 4.42Å; Y134-M138 HydrophobicContact CD1-SD 4.37Å; Y134-M138 HydrophobicContact CE1-CG 4.14Å; Y134-M138 HydrophobicContact CE1-SD 3.97Å; Y134-M138 PolarHBondContact O-N 2.82Å; L135-M138 HydrophobicContact CD2-SD 3.73Å; L135-M138 WeakPolarHBondContact O-CB 3.31Å; L135-M138 PolarHBondContact O-N 2.88Å; M138-D142 HydrophobicContact CB-CB 4.31Å; M138-D142 HydrophobicContact CE-CB 3.68Å; M138-D142 VanDerWaalsContact CE-O 3.26Å; M138-D142 WeakPolarHBondContact CE-O 3.48Å; M138-D142 HydrophobicContact CG-CB 4.47Å; M138-I144 HydrophobicContact CE-CB 4.08Å; M138-I144 HydrophobicContact CE-CG2 4.44Å; M138-I144 HydrophobicContact SD-CB 4.31Å
139K98.5Very high98.2Very high154 Ų15449 Ų4967%0.6725%0.253SS*.PPolyproline II helixtrans-91.4156.7171.4-59.4178.3-176.4-179.90109.6G141 D142K139-G141 PolarHBondContact O-N 2.89Å; K139-D142 PolarHBondContact N-OD2 3.05Å; K139-D142 VanDerWaalsContact O-CB 3.31Å; K139-D142 WeakPolarHBondContact O-CB 3.37Å; K139-D142 PolarHBondContact O-N 2.92Å
140I98.7Very high98.2Very high104 Ų10450.1 Ų50.153%0.53325%0.253SS..THydrogen-bonded Turntrans-58.8131.8170.4-56.8-53.1000108.6L51 K54L51-I140 HydrophobicContact CD2-CD1 4.26Å; L51-I140 HydrophobicContact CG-CD1 4.07Å; L51-I140 CarbonylContact O-C 3.57Å; L51-I140 WeakPolarHBondContact O-CA 3.31Å; K54-I140 HydrophobicContact CB-CD1 4.41Å
141G98.5Very high98.1Very high48 Ų4846.4 Ų46.450%0.49524%0.242SC..THydrogen-bonded Turntrans95.5-19.7-17300000114.6L51 K139L51-G141 PolarHBondContact O-N 3.15Å; K139-G141 PolarHBondContact O-N 2.89Å
142D98.7Very high98Very high69 Ų6949.7 Ų49.737%0.36926%0.255SS..  trans-66.3140.7175.7-69.5-16.5000110.3P50 L51 M138 K139P50-D142 WeakPolarHBondContact CA-O 3.47Å; L51-D142 PolarHBondContact N-O 3.35Å; M138-D142 HydrophobicContact CB-CB 4.31Å; M138-D142 HydrophobicContact CE-CB 3.68Å; M138-D142 VanDerWaalsContact CE-O 3.26Å; M138-D142 WeakPolarHBondContact CE-O 3.48Å; M138-D142 HydrophobicContact CG-CB 4.47Å; K139-D142 PolarHBondContact N-OD2 3.05Å; K139-D142 VanDerWaalsContact O-CB 3.31Å; K139-D142 WeakPolarHBondContact O-CB 3.37Å; K139-D142 PolarHBondContact O-N 2.92Å
143T98.6Very high98Very high77 Ų7749.2 Ų49.247%0.47225%0.251SS..EExtended strand (participates in β ladder)trans-102144.8-179.859.90000112.3L49 P50L49-T143 WeakPolarHBondContact O-CA 3.42Å; P50-T143 HydrophobicContact CB-CG2 4.07Å
144I98.7Very high98Very high3 Ų348.5 Ų48.52%0.01525%0.248CC..EExtended strand (participates in β ladder)trans-126.4149.8166.4-166169000110.2L49 F66 L85 L86 A87 M131 Y134 L135 M138 F146L49-I144 PolarHBondContact N-O 3.11Å; L49-I144 PolarHBondContact O-N 2.93Å; L49-I144 VanDerWaalsContact O-N 3.09Å; F66-I144 HydrophobicContact CD1-CG2 4Å; F66-I144 HydrophobicContact CE1-CG2 3.42Å; F66-I144 VanDerWaalsContact CE1-CG2 3.42Å; F66-I144 HydrophobicContact CZ-CG2 3.92Å; L85-I144 HydrophobicContact CB-CD1 3.9Å; L85-I144 HydrophobicContact CB-CG1 4.49Å; L85-I144 HydrophobicContact CD1-CD1 4.06Å; L85-I144 HydrophobicContact CD2-CG2 4.26Å; L85-I144 HydrophobicContact CG-CD1 4.42Å; L86-I144 WeakPolarHBondContact O-CG1 3.34Å; A87-I144 HydrophobicContact CB-CD1 4.3Å; A87-I144 HydrophobicContact CB-CG1 4.48Å; M131-I144 HydrophobicContact SD-CD1 3.87Å; Y134-I144 HydrophobicContact CD1-CD1 4.32Å; Y134-I144 HydrophobicContact CE1-CD1 4.02Å; Y134-I144 HydrophobicContact CE1-CG1 4.49Å; L135-I144 HydrophobicContact CD2-CD1 3.76Å; M138-I144 HydrophobicContact CE-CB 4.08Å; M138-I144 HydrophobicContact CE-CG2 4.44Å; M138-I144 HydrophobicContact SD-CB 4.31Å; I144-F146 HydrophobicContact CG2-CD2 4.06Å; I144-F146 HydrophobicContact CG2-CE2 3.63Å
145F98.8Very high97.9Very high89 Ų8945.5 Ų45.539%0.3924%0.236SC..EExtended strand (participates in β ladder)trans-81.2123.3178-69.9-65.7000111.4K46 Y47 P48 L85 L86K46-F145 HydrophobicContact CB-CB 4.27Å; K46-F145 HydrophobicContact CB-CD1 3.69Å; K46-F145 HydrophobicContact CB-CE1 4.3Å; K46-F145 HydrophobicContact CB-CG 4.13Å; K46-F145 HydrophobicContact CD-CG 4.49Å; Y47-F145 WeakPolarHBondContact O-CA 3.29Å; P48-F145 HydrophobicContact CB-CD1 3.97Å; P48-F145 HydrophobicContact CB-CE1 3.78Å; P48-F145 HydrophobicContact CG-CE1 4.18Å; L85-F145 WeakPolarHBondContact CA-O 3.38Å; L86-F145 HydrophobicContact CB-CB 4.1Å; L86-F145 HydrophobicContact CD1-CB 4.48Å; L86-F145 PolarHBondContact N-O 3.47Å; L86-F145 PolarHBondContact O-N 3.32Å
146F98.8Very high97.8Very high0 Ų051.8 Ų51.80%027%0.265CS..EExtended strand (participates in β ladder)trans-91.6142.8164.9-78.3-117000109.6K46 Y47 L49 F66 V83 Q84 L85 V110 L112 I144K46-F146 WeakPolarHBondContact CA-O 3.39Å; Y47-F146 PolarHBondContact N-O 3.46Å; Y47-F146 PolarHBondContact O-N 2.8Å; L49-F146 HydrophobicContact CB-CD2 3.87Å; L49-F146 HydrophobicContact CB-CE2 3.96Å; L49-F146 HydrophobicContact CD1-CB 4.16Å; L49-F146 HydrophobicContact CD1-CD1 3.98Å; L49-F146 HydrophobicContact CD1-CD2 3.6Å; L49-F146 HydrophobicContact CD1-CE1 4.25Å; L49-F146 HydrophobicContact CD1-CE2 3.9Å; L49-F146 HydrophobicContact CD1-CG 3.65Å; L49-F146 HydrophobicContact CD1-CZ 4.22Å; L49-F146 HydrophobicContact CG-CB 4.41Å; L49-F146 HydrophobicContact CG-CD2 3.76Å; L49-F146 HydrophobicContact CG-CE2 4.24Å; L49-F146 HydrophobicContact CG-CG 4.14Å; F66-F146 HydrophobicContact CB-CE2 4.21Å; F66-F146 HydrophobicContact CB-CZ 4.17Å; F66-F146 AromaticContact CD1-CE2 3.98Å; F66-F146 HydrophobicContact CD1-CE2 3.98Å; F66-F146 HydrophobicContact CD1-CZ 4.4Å; F66-F146 AromaticContact CD2-CE2 3.98Å; F66-F146 HydrophobicContact CD2-CE2 3.98Å; F66-F146 AromaticContact CD2-CZ 3.56Å; F66-F146 HydrophobicContact CD2-CZ 3.56Å; F66-F146 HydrophobicContact CE1-CE2 4.35Å; F66-F146 HydrophobicContact CE2-CE2 4.33Å; F66-F146 AromaticContact CE2-CZ 3.98Å; F66-F146 HydrophobicContact CE2-CZ 3.98Å; F66-F146 AromaticContact CG-CE2 3.78Å; F66-F146 HydrophobicContact CG-CE2 3.78Å; F66-F146 AromaticContact CG-CZ 3.79Å; F66-F146 HydrophobicContact CG-CZ 3.79Å; V83-F146 HydrophobicContact CB-CD1 4.13Å; V83-F146 HydrophobicContact CG1-CD1 4.33Å; V83-F146 HydrophobicContact CG2-CD1 3.79Å; V83-F146 HydrophobicContact CG2-CE1 3.9Å; Q84-F146 CarbonylContact O-C 3.56Å; Q84-F146 WeakPolarHBondContact O-CA 3.18Å; L85-F146 HydrophobicContact CD2-CD1 3.86Å; L85-F146 HydrophobicContact CD2-CD2 3.59Å; L85-F146 HydrophobicContact CD2-CE1 3.73Å; L85-F146 HydrophobicContact CD2-CE2 3.45Å; L85-F146 VanDerWaalsContact CD2-CE2 3.45Å; L85-F146 HydrophobicContact CD2-CG 3.79Å; L85-F146 HydrophobicContact CD2-CZ 3.52Å; V110-F146 HydrophobicContact CG1-CE1 3.8Å; V110-F146 HydrophobicContact CG1-CZ 3.92Å; V110-F146 HydrophobicContact CG2-CE1 4.37Å; L112-F146 HydrophobicContact CD1-CE1 4.31Å; L112-F146 HydrophobicContact CD1-CZ 4.07Å; I144-F146 HydrophobicContact CG2-CD2 4.06Å; I144-F146 HydrophobicContact CG2-CE2 3.63Å
147R98.6Very high97.6Very high53 Ų5350.5 Ų50.520%0.226%0.262CS..EExtended strand (participates in β ladder)trans-140.3133.7170.1-179.8171.865.8177.11.3109.8P43 E44 A45 Q84 L86P43-R147 WeakPolarHBondContact O-CG 3.36Å; E44-R147 WeakPolarHBondContact O-CD 3.49Å; A45-R147 WeakPolarHBondContact O-CG 3.4Å; Q84-R147 HydrophobicContact CB-CB 4.45Å; Q84-R147 PolarHBondContact N-O 3.04Å; Q84-R147 PolarHBondContact O-N 3.11Å; Q84-R147 VanDerWaalsContact OE1-CZ 3.32Å; Q84-R147 VanDerWaalsContact OE1-NE 3.08Å; L86-R147 HydrophobicContact CD1-CB 3.57Å
148G97.4Very high97.5Very high0 Ų046.8 Ų46.80%025%0.245CC..EExtended strand (participates in β ladder)trans158.5-172.1-178.800000111L40 P43L40-G148 WeakPolarHBondContact CB-O 3.07Å; P43-G148 WeakPolarHBondContact CA-O 3.34Å
149P96.8Very high97.4Very high27 Ų2746.6 Ų46.618%0.17524%0.243CC..EExtended strand (participates in β ladder)cis-67.8147.83.329.6-38.1000113.2L77 P78 N81L77-P149 HydrophobicContact CD1-CB 3.76Å; P78-P149 HydrophobicContact CG-CB 4.4Å; P78-P149 HydrophobicContact CG-CG 4.43Å; N81-P149 HydrophobicContact CB-CB 4.33Å
150K96.4Very high97.3Very high40 Ų4043.3 Ų43.317%0.17423%0.233CC..EExtended strand (participates in β ladder)trans-129.2144.2172.2-62.6-64.4-176.8172.30109.7P43 E44 N81 Y82 Q84P43-K150 WeakPolarHBondContact O-CE 3.48Å; P43-K150 PolarHBondContact O-NZ 3.16Å; E44-K150 IonicContact OE1-NZ 2.75Å; E44-K150 PolarHBondContact OE1-NZ 2.85Å; E44-K150 IonicContact OE2-NZ 3.29Å; E44-K150 PolarHBondContact OE2-NZ 2.79Å; N81-K150 CarbonylContact C-O 3.56Å; N81-K150 WeakPolarHBondContact CA-O 3.37Å; N81-K150 VanDerWaalsContact CB-O 3.25Å; N81-K150 WeakPolarHBondContact CB-O 3.33Å; N81-K150 PolarHBondContact OD1-O 3.42Å; Y82-K150 WeakPolarHBondContact CD1-O 3.35Å; Y82-K150 HydrophobicContact CD2-CB 3.99Å; Y82-K150 HydrophobicContact CE2-CB 3.54Å; Y82-K150 HydrophobicContact CE2-CG 4.43Å; Y82-K150 PolarHBondContact N-O 2.6Å; Y82-K150 PolarHBondContact O-N 3.5Å; Q84-K150 HydrophobicContact CG-CG 4.36Å
151G95.1Very high97.3Very high17 Ų1738.5 Ų38.518%0.17521%0.209CC..  trans160.9166.5178.300000112.1N81N81-G151 WeakPolarHBondContact OD1-CA 3.48Å; N81-G151 PolarHBondContact OD1-N 3.17Å
152R96.6Very high97.2Very high73 Ų7336.3 Ų36.328%0.27519%0.186SC..SBendtrans-115.2-16.3173.9-66.3-172.2-57.8113.50.5112.6I163 R164 F303 T304R152-I163 CarbonylContact O-C 3.44Å; R152-I163 VanDerWaalsContact O-CA 3.29Å; R152-I163 WeakPolarHBondContact O-CA 3.4Å; R152-R164 HydrophobicContact CB-CB 4Å; R152-R164 HydrophobicContact CG-CB 4.11Å; R152-R164 PolarHBondContact NH1-O 3.17Å; R152-R164 PolarHBondContact O-N 2.98Å; R152-F303 HydrophobicContact CB-CE2 3.8Å; R152-F303 HydrophobicContact CB-CZ 3.99Å; R152-T304 PolarHBondContact NH2-O 2.72Å
153L97.7Very high97.1Very high0 Ų034.5 Ų34.50%018%0.176CC..EExtended strand (participates in β ladder)trans-104.9132.1179.6-174.6152.3000109.4G80 N81 L161 G162 L194 L274 L276 F303G80-L153 CarbonylContact C-O 3.56Å; G80-L153 VanDerWaalsContact C-O 3.27Å; G80-L153 WeakPolarHBondContact CA-O 3.49Å; N81-L153 PolarHBondContact ND2-O 3.3Å; L153-L161 HydrophobicContact CD1-CD2 4.18Å; L153-L161 HydrophobicContact CD2-CD2 4.14Å; L153-L161 HydrophobicContact CG-CD2 4.21Å; L153-G162 CarbonylContact C-O 3.51Å; L153-G162 WeakPolarHBondContact CA-O 3.32Å; L153-L194 HydrophobicContact CD2-CD1 4.47Å; L153-L194 HydrophobicContact CD2-CD2 4.37Å; L153-L274 HydrophobicContact CD1-CD2 4.43Å; L153-L276 HydrophobicContact CD1-CD2 3.55Å; L153-F303 HydrophobicContact CB-CD1 4.3Å; L153-F303 HydrophobicContact CB-CE1 3.78Å; L153-F303 HydrophobicContact CB-CE2 4.01Å; L153-F303 HydrophobicContact CB-CZ 3.63Å; L153-F303 HydrophobicContact CD1-CB 4.5Å; L153-F303 HydrophobicContact CD1-CD1 3.72Å; L153-F303 HydrophobicContact CD1-CD2 4.47Å; L153-F303 HydrophobicContact CD1-CE1 4.03Å; L153-F303 HydrophobicContact CD1-CG 3.97Å
154F97.4Very high97Very high22 Ų2234.3 Ų34.310%0.09617%0.167CC..EExtended strand (participates in β ladder)trans-129120.4178.5-58.1-93.7000108P78 V79 N81 L161 G162 R164 P171P78-F154 HydrophobicContact CB-CD1 4.22Å; V79-F154 WeakPolarHBondContact O-CA 3.46Å; N81-F154 WeakPolarHBondContact ND2-CD1 3.3Å; N81-F154 VanDerWaalsContact ND2-CE1 3.34Å; N81-F154 WeakPolarHBondContact ND2-CE1 3.38Å; F154-L161 CarbonylContact O-C 3.55Å; F154-L161 VanDerWaalsContact O-CA 3.25Å; F154-L161 WeakPolarHBondContact O-CA 3.42Å; F154-G162 PolarHBondContact N-O 2.99Å; F154-G162 PolarHBondContact O-N 3.48Å; F154-R164 HydrophobicContact CE2-CG 4Å; F154-P171 HydrophobicContact CD2-CB 4.29Å; F154-P171 HydrophobicContact CD2-CG 4.07Å; F154-P171 HydrophobicContact CE2-CG 4.06Å
155Y97.9Very high96.6Very high12 Ų1237.1 Ų37.15%0.04719%0.186CC..EExtended strand (participates in β ladder)trans-92.9119.3172.2-164.3-94.7000109.1V79 G157 G159 L161 L194 H197 I198 D204 T206V79-Y155 HydrophobicContact CG1-CG 4.49Å; V79-Y155 PolarHBondContact O-N 3.42Å; Y155-G157 WeakPolarHBondContact CE1-O 3.37Å; Y155-G157 PolarHBondContact OH-O 3.22Å; Y155-G159 PolarHBondContact OH-N 3.36Å; Y155-G159 VanDerWaalsContact OH-N 3.08Å; Y155-L161 HydrophobicContact CD2-CD2 3.93Å; Y155-L161 HydrophobicContact CD2-CG 3.91Å; Y155-L161 HydrophobicContact CE2-CG 4.29Å; Y155-L194 HydrophobicContact CD2-CD2 3.83Å; Y155-L194 HydrophobicContact CG-CD2 3.87Å; Y155-H197 AromaticContact CD1-CD2 3.48Å; Y155-H197 VanDerWaalsContact CD1-CD2 3.48Å; Y155-H197 WeakPolarHBondContact CD1-CD2 3.34Å; Y155-H197 AromaticContact CD1-NE2 3.82Å; Y155-H197 AromaticContact CE1-CD2 3.84Å; Y155-I198 HydrophobicContact CE1-CD1 4.34Å; Y155-I198 HydrophobicContact CE1-CG1 3.77Å; Y155-I198 HydrophobicContact CE2-CD1 3.85Å; Y155-I198 HydrophobicContact CE2-CG1 4.18Å; Y155-D204 WeakPolarHBondContact CE1-OD2 3.43Å; Y155-D204 PolarHBondContact OH-OD1 3.39Å; Y155-D204 PolarHBondContact OH-OD2 3.27Å; Y155-T206 PolarHBondContact OH-OG1 3.08Å
156H95.9Very high96.3Very high133 Ų13335.8 Ų35.862%0.61618%0.182SC*.  trans-105.7-0-174.1-64-54.8000113.5N160H156-N160 PolarHBondContact N-O 2.85Å
157G93.9Very high95.6Very high10 Ų1043.3 Ų43.310%0.10322%0.218CC..SBendtrans130-169-175.500000111.5Y155 G159 N160Y155-G157 WeakPolarHBondContact CE1-O 3.37Å; Y155-G157 PolarHBondContact OH-O 3.22Å; G157-G159 PolarHBondContact O-N 3.43Å; G157-N160 PolarHBondContact O-N 2.67Å
158P96.6Very high95Very high47 Ų4747 Ų4731%0.30525%0.246SC..THydrogen-bonded Turntrans-51.3104.5-162-29.934.7000114.3N160 D204P158-N160 PolarHBondContact O-N 3.05Å; P158-N160 PolarHBondContact O-ND2 2.84Å; P158-D204 WeakPolarHBondContact CA-OD1 3.15Å; P158-D204 WeakPolarHBondContact CA-OD2 3.34Å; P158-D204 HydrophobicContact CB-CB 4.38Å; P158-D204 HydrophobicContact CG-CB 3.97Å
159G95.3Very high94.8Very high0 Ų049 Ų490%026%0.26CS..THydrogen-bonded Turntrans62.92.7-177.500000116.1Y155 G157 L161 L175 A176 T206Y155-G159 PolarHBondContact OH-N 3.36Å; Y155-G159 VanDerWaalsContact OH-N 3.08Å; G157-G159 PolarHBondContact O-N 3.43Å; G159-L161 WeakPolarHBondContact O-CD1 3.37Å; G159-L175 CarbonylContact O-C 3.55Å; G159-L175 WeakPolarHBondContact O-CA 3.38Å; G159-A176 WeakPolarHBondContact CA-O 3.28Å; G159-A176 PolarHBondContact O-N 2.79Å; G159-T206 WeakPolarHBondContact CA-OG1 3.39Å; G159-T206 PolarHBondContact N-OG1 2.87Å
160N97.4Very high94.7Very high85 Ų8555 Ų5546%0.45529%0.286SS..EExtended strand (participates in β ladder)trans-93.9105.1-176.1-74.5-75.4000110.3H156 G157 P158H156-N160 PolarHBondContact N-O 2.85Å; G157-N160 PolarHBondContact O-N 2.67Å; P158-N160 PolarHBondContact O-N 3.05Å; P158-N160 PolarHBondContact O-ND2 2.84Å
161L97.5Very high94.6Very high3 Ų355 Ų552%0.01629%0.29CS..EExtended strand (participates in β ladder)trans-111.1150.5177.3-54.1100.1000111.8L153 F154 Y155 G159 K173 K174 A176 L179 L274L153-L161 HydrophobicContact CD1-CD2 4.18Å; L153-L161 HydrophobicContact CD2-CD2 4.14Å; L153-L161 HydrophobicContact CG-CD2 4.21Å; F154-L161 CarbonylContact O-C 3.55Å; F154-L161 VanDerWaalsContact O-CA 3.25Å; F154-L161 WeakPolarHBondContact O-CA 3.42Å; Y155-L161 HydrophobicContact CD2-CD2 3.93Å; Y155-L161 HydrophobicContact CD2-CG 3.91Å; Y155-L161 HydrophobicContact CE2-CG 4.29Å; G159-L161 WeakPolarHBondContact O-CD1 3.37Å; L161-K173 CarbonylContact O-C 3.48Å; L161-K173 WeakPolarHBondContact O-CA 3.22Å; L161-K174 HydrophobicContact CB-CB 4.4Å; L161-K174 PolarHBondContact N-O 3.15Å; L161-K174 PolarHBondContact O-N 3.25Å; L161-A176 HydrophobicContact CD1-CB 3.76Å; L161-L179 HydrophobicContact CD1-CD2 4.44Å; L161-L274 HydrophobicContact CD1-CD2 4.35Å; L161-L274 HydrophobicContact CD2-CD2 3.74Å
162G97.3Very high94.6Very high3 Ų361 Ų613%0.03131%0.311CS..EExtended strand (participates in β ladder)trans-109.3126.7161.300000109.6L153 F154 K172L153-G162 CarbonylContact C-O 3.51Å; L153-G162 WeakPolarHBondContact CA-O 3.32Å; F154-G162 PolarHBondContact N-O 2.99Å; F154-G162 PolarHBondContact O-N 3.48Å; G162-K172 WeakPolarHBondContact CA-O 3.23Å
163I96.9Very high94.6Very high30 Ų3067.5 Ų67.515%0.15434%0.342CS..EExtended strand (participates in β ladder)trans-122.3119.8176.7-57.8178000109.6R152 K172 K174 L274 F303R152-I163 CarbonylContact O-C 3.44Å; R152-I163 VanDerWaalsContact O-CA 3.29Å; R152-I163 WeakPolarHBondContact O-CA 3.4Å; I163-K172 PolarHBondContact N-O 2.89Å; I163-K172 PolarHBondContact O-N 3.25Å; I163-K174 HydrophobicContact CD1-CB 4.25Å; I163-K174 HydrophobicContact CD1-CG 4.37Å; I163-L274 HydrophobicContact CD1-CD1 3.98Å; I163-L274 HydrophobicContact CD1-CD2 3.92Å; I163-F303 HydrophobicContact CG2-CD2 3.81Å; I163-F303 HydrophobicContact CG2-CE2 4.04Å
164R95.4Very high94.4Very high73 Ų7369.3 Ų69.328%0.27535%0.349SS..  trans-79128.9171.2-61-177.5178.8179.61110.3R152 F154 D166 S169 P171R152-R164 HydrophobicContact CB-CB 4Å; R152-R164 HydrophobicContact CG-CB 4.11Å; R152-R164 PolarHBondContact NH1-O 3.17Å; R152-R164 PolarHBondContact O-N 2.98Å; F154-R164 HydrophobicContact CE2-CG 4Å; R164-D166 WeakPolarHBondContact CB-O 3.47Å; R164-D166 PolarHBondContact O-N 3.32Å; R164-S169 VanDerWaalsContact CD-O 3.3Å; R164-S169 WeakPolarHBondContact CD-O 3.24Å; R164-S169 VanDerWaalsContact CG-O 3.31Å; R164-S169 WeakPolarHBondContact CG-O 3.49Å; R164-P171 HydrophobicContact CG-CB 4.07Å; R164-P171 HydrophobicContact CG-CG 3.77Å
165P91.8Very high94.4Very high63 Ų6372.2 Ų72.241%0.40937%0.365SS..SBendtrans-59.7-37.6172-23.333.1000112.5K172P165-K172 HydrophobicContact CG-CD 4.01Å; P165-K172 HydrophobicContact CG-CG 4.36Å
166D90.7Very high94.4Very high60 Ų6071.6 Ų71.632%0.32136%0.363SS..SBendtrans-144.2-173-178.661.773000110.5R164 T168 S169R164-D166 WeakPolarHBondContact CB-O 3.47Å; R164-D166 PolarHBondContact O-N 3.32Å; D166-T168 VanDerWaalsContact C-N 3.31Å; D166-T168 PolarHBondContact O-N 3.18Å; D166-T168 WeakPolarHBondContact OD1-CA 3.32Å; D166-T168 PolarHBondContact OD1-N 2.56Å; D166-T168 PolarHBondContact OD1-OG1 2.9Å; D166-S169 PolarHBondContact OD1-N 2.8Å; D166-S169 PolarHBondContact OD1-OG 3.36Å; D166-S169 WeakPolarHBondContact OD2-CB 3.4Å; D166-S169 PolarHBondContact OD2-OG 3.08Å
167Q84.3Confident94.5Very high159 Ų15969 Ų6974%0.74335%0.351SS*.SBendtrans-74.4-19.8-176.2-66.9-168.2-11.600114.3
168T87.2Confident94.7Very high130 Ų13072 Ų7280%0.79836%0.362SS*.SBendtrans-107.8-26.5-170.161.70000113.3D166D166-T168 VanDerWaalsContact C-N 3.31Å; D166-T168 PolarHBondContact O-N 3.18Å; D166-T168 WeakPolarHBondContact OD1-CA 3.32Å; D166-T168 PolarHBondContact OD1-N 2.56Å; D166-T168 PolarHBondContact OD1-OG1 2.9Å
169S92.9Very high94.8Very high43 Ų4369.8 Ų69.830%0.30135%0.348SS..SBendtrans-71.4148.9179.4-73.80000112.8R164 D166R164-S169 VanDerWaalsContact CD-O 3.3Å; R164-S169 WeakPolarHBondContact CD-O 3.24Å; R164-S169 VanDerWaalsContact CG-O 3.31Å; R164-S169 WeakPolarHBondContact CG-O 3.49Å; D166-S169 PolarHBondContact OD1-N 2.8Å; D166-S169 PolarHBondContact OD1-OG 3.36Å; D166-S169 WeakPolarHBondContact OD2-CB 3.4Å; D166-S169 PolarHBondContact OD2-OG 3.08Å
170E93.6Very high95Very high153 Ų15369.8 Ų69.872%0.71535%0.348SS*.PPolyproline II helixtrans-62.9146.5170.2-72.2-58.2145.500111.9K172E170-K172 PolarHBondContact O-N 2.97Å
171P94.6Very high95Very high40 Ų4065.8 Ų65.826%0.2633%0.326SS..PPolyproline II helixtrans-62.4127.8176.8-17.128.6000111.7F154 R164F154-P171 HydrophobicContact CD2-CB 4.29Å; F154-P171 HydrophobicContact CD2-CG 4.07Å; F154-P171 HydrophobicContact CE2-CG 4.06Å; R164-P171 HydrophobicContact CG-CB 4.07Å; R164-P171 HydrophobicContact CG-CG 3.77Å
172K95.8Very high95.1Very high143 Ų14365.6 Ų65.662%0.62233%0.326SS*.EExtended strand (participates in β ladder)trans-83.1133.2169.6-65.3-176.2179.3178.30109.5G162 I163 P165 E170 K174G162-K172 WeakPolarHBondContact CA-O 3.23Å; I163-K172 PolarHBondContact N-O 2.89Å; I163-K172 PolarHBondContact O-N 3.25Å; P165-K172 HydrophobicContact CG-CD 4.01Å; P165-K172 HydrophobicContact CG-CG 4.36Å; E170-K172 PolarHBondContact O-N 2.97Å; K172-K174 PolarHBondContact O-N 3.23Å
173K96Very high95.2Very high209 Ų20965.5 Ų65.591%0.90932%0.324SS*.EExtended strand (participates in β ladder)trans-64.3132.9175.5-65.6-175.5179.5-177.20110.3L161L161-K173 CarbonylContact O-C 3.48Å; L161-K173 WeakPolarHBondContact O-CA 3.22Å
174K95Very high95.2Very high37 Ų3764.3 Ų64.316%0.16132%0.319CS..EExtended strand (participates in β ladder)trans-131.5125.1172.3-176.882.8-177.8-163.10107.7L161 I163 K172 D300L161-K174 HydrophobicContact CB-CB 4.4Å; L161-K174 PolarHBondContact N-O 3.15Å; L161-K174 PolarHBondContact O-N 3.25Å; I163-K174 HydrophobicContact CD1-CB 4.25Å; I163-K174 HydrophobicContact CD1-CG 4.37Å; K172-K174 PolarHBondContact O-N 3.23Å; K174-D300 PolarHBondContact NZ-O 2.92Å; K174-D300 IonicContact NZ-OD2 2.71Å; K174-D300 PolarHBondContact NZ-OD2 2.83Å; K174-D300 VanDerWaalsContact NZ-OD2 3.15Å
175L96.9Very high95.1Very high83 Ų8361.7 Ų61.744%0.43532%0.315SS..EExtended strand (participates in β ladder)trans-96.3116.3170.7-174.668.4000108G159G159-L175 CarbonylContact O-C 3.55Å; G159-L175 WeakPolarHBondContact O-CA 3.38Å
176A97.4Very high95.1Very high0 Ų060.9 Ų60.90%031%0.309CS..  trans-133.8116.2176.300000110G159 L161 L179 S272 L274G159-A176 WeakPolarHBondContact CA-O 3.28Å; G159-A176 PolarHBondContact O-N 2.79Å; L161-A176 HydrophobicContact CD1-CB 3.76Å; A176-L179 HydrophobicContact CB-CD2 4Å; A176-S272 CarbonylContact C-O 3.15Å; A176-S272 VanDerWaalsContact CA-O 3.25Å; A176-S272 WeakPolarHBondContact CA-O 3.2Å; A176-L274 HydrophobicContact CB-CB 3.73Å
177H97.4Very high95.4Very high79 Ų7958.2 Ų58.237%0.36630%0.295SS..SBendtrans-88.9-14.3176.1-60.4-58.1000112.1R207 S272H177-R207 PolarHBondContact O-N 3.37Å; H177-S272 PolarHBondContact N-O 3.19Å
178H98.6Very high96Very high72 Ų7250.7 Ų50.733%0.33326%0.26SS..EExtended strand (participates in β ladder)trans-125.9120177.3-54.6-79.6000109.9R207 P267 S272 T273 L274H178-R207 CarbonylContact C-O 3.54Å; H178-R207 WeakPolarHBondContact CA-O 3.3Å; H178-P267 HydrophobicContact CB-CB 3.63Å; H178-P267 HydrophobicContact CB-CG 3.84Å; H178-S272 PolarHBondContact N-O 2.97Å; H178-S272 VanDerWaalsContact N-O 3.07Å; H178-T273 WeakPolarHBondContact O-CA 3.36Å; H178-L274 PolarHBondContact O-N 3.36Å
179L98.8Very high96.5Very high1 Ų145.1 Ų45.11%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-106.5106.6173.9-57.6-176.4000109.2L161 A176 M181 I198 T206 R207 M208 S209 L274L161-L179 HydrophobicContact CD1-CD2 4.44Å; A176-L179 HydrophobicContact CB-CD2 4Å; L179-M181 HydrophobicContact CB-CE 3.82Å; L179-M181 HydrophobicContact CD1-CE 4Å; L179-I198 HydrophobicContact CD1-CD1 3.77Å; L179-T206 HydrophobicContact CD1-CG2 3.93Å; L179-T206 HydrophobicContact CG-CG2 3.79Å; L179-R207 PolarHBondContact N-O 2.79Å; L179-M208 HydrophobicContact CB-CG 4.22Å; L179-M208 HydrophobicContact CD1-CG 4.37Å; L179-M208 CarbonylContact O-C 3.48Å; L179-M208 VanDerWaalsContact O-CA 3.28Å; L179-M208 WeakPolarHBondContact O-CA 3.29Å; L179-S209 PolarHBondContact O-N 2.9Å; L179-L274 CarbonylContact C-O 3.56Å; L179-L274 VanDerWaalsContact CA-O 3.3Å; L179-L274 WeakPolarHBondContact CA-O 3.24Å; L179-L274 HydrophobicContact CD2-CB 3.9Å; L179-L274 HydrophobicContact CD2-CD2 4.15Å; L179-L274 HydrophobicContact CD2-CG 4.46Å
180G98.9Very high96.8Very high0 Ų043.3 Ų43.30%021%0.213CC..EExtended strand (participates in β ladder)trans-81.5139164.400000109.5S209 L274 I275 L276G180-S209 CarbonylContact C-O 3.53Å; G180-S209 WeakPolarHBondContact CA-O 3.18Å; G180-L274 PolarHBondContact N-O 2.73Å; G180-I275 CarbonylContact O-C 3.6Å; G180-I275 VanDerWaalsContact O-CA 3.27Å; G180-I275 WeakPolarHBondContact O-CA 3.3Å; G180-L276 PolarHBondContact O-N 2.81Å
181M98.9Very high97Very high0 Ų036 Ų360%018%0.179CC..EExtended strand (participates in β ladder)trans-131127.3-176-56.4-176.4-173.900109.4L179 M191 L194 I195 M208 S209 L210 I211 L276L179-M181 HydrophobicContact CB-CE 3.82Å; L179-M181 HydrophobicContact CD1-CE 4Å; M181-M191 HydrophobicContact CB-CG 4.26Å; M181-M191 HydrophobicContact CB-SD 3.99Å; M181-M191 HydrophobicContact CG-SD 4.06Å; M181-M191 HydrophobicContact SD-CB 3.81Å; M181-M191 HydrophobicContact SD-CG 4.29Å; M181-M191 HydrophobicContact SD-SD 4.11Å; M181-L194 HydrophobicContact CE-CB 4.3Å; M181-I195 HydrophobicContact CE-CG1 4.14Å; M181-I195 HydrophobicContact SD-CD1 3.97Å; M181-I195 HydrophobicContact SD-CG1 3.94Å; M181-M208 HydrophobicContact CE-CB 4.01Å; M181-M208 HydrophobicContact CE-CG 3.75Å; M181-M208 HydrophobicContact CE-SD 3.66Å; M181-S209 PolarHBondContact N-O 2.96Å; M181-L210 HydrophobicContact CB-CB 4.33Å; M181-L210 HydrophobicContact CB-CD1 3.68Å; M181-L210 WeakPolarHBondContact O-CA 3.37Å; M181-I211 PolarHBondContact O-N 2.89Å; M181-L276 CarbonylContact C-O 3.5Å; M181-L276 WeakPolarHBondContact CA-O 3.43Å; M181-L276 HydrophobicContact CE-CD1 4.25Å; M181-L276 HydrophobicContact CG-CB 4.38Å; M181-L276 HydrophobicContact CG-CD1 4.33Å
182I98.9Very high97.2Very high0 Ų034.1 Ų34.10%017%0.167CC..EExtended strand (participates in β ladder)trans-118.8109.1173.1-53.7175.6000107.5I211 V257 I262 L266 I275 L276 V277 C278 L283 A288 L292I182-I211 WeakPolarHBondContact CA-O 3.34Å; I182-V257 HydrophobicContact CG2-CG1 4.41Å; I182-V257 HydrophobicContact CG2-CG2 4.06Å; I182-I262 HydrophobicContact CD1-CD1 4.01Å; I182-I262 HydrophobicContact CD1-CG1 4.09Å; I182-L266 HydrophobicContact CD1-CD1 3.87Å; I182-L266 HydrophobicContact CG1-CD1 3.64Å; I182-I275 HydrophobicContact CD1-CG2 4.38Å; I182-L276 PolarHBondContact N-O 3.39Å; I182-V277 HydrophobicContact CB-CG1 4.41Å; I182-V277 HydrophobicContact CB-CG2 4.45Å; I182-V277 WeakPolarHBondContact O-CA 3.2Å; I182-C278 PolarHBondContact O-N 3.29Å; I182-L283 HydrophobicContact CG2-CD2 3.99Å; I182-A288 HydrophobicContact CD1-CB 4Å; I182-A288 HydrophobicContact CG2-CB 4.42Å; I182-L292 HydrophobicContact CD1-CD1 4.17Å; I182-L292 HydrophobicContact CD1-CG 4.47Å
183A98.7Very high97.3Very high0 Ų028.4 Ų28.40%014%0.142CC..EExtended strand (participates in β ladder)trans-114.5143.9-179.200000111.4I188 M191 L210 I211 F212 A213 C278A183-I188 HydrophobicContact CB-CB 4.47Å; A183-I188 HydrophobicContact CB-CD1 4.23Å; A183-M191 HydrophobicContact CB-CG 4.08Å; A183-L210 HydrophobicContact CB-CD1 3.92Å; A183-I211 PolarHBondContact N-O 3.36Å; A183-F212 HydrophobicContact CB-CD2 3.76Å; A183-F212 HydrophobicContact CB-CE2 4.24Å; A183-A213 PolarHBondContact O-N 3.31Å; A183-C278 CarbonylContact C-O 3.57Å; A183-C278 VanDerWaalsContact CA-O 3.27Å; A183-C278 WeakPolarHBondContact CA-O 3.14Å
184G97.3Very high97.4Very high5 Ų518.4 Ų18.45%0.05210%0.099CC..EExtended strand (participates in β ladder)trans-126.4122.2170.300000112.7T186 G187 A213 C278G184-T186 PolarHBondContact O-N 3.02Å; G184-T186 VanDerWaalsContact O-N 3.16Å; G184-G187 PolarHBondContact O-N 2.87Å; G184-A213 WeakPolarHBondContact CA-O 3.2Å; G184-C278 PolarHBondContact N-O 3.08Å
185G93.2Very high97.6Very high18 Ų1816.7 Ų16.719%0.1869%0.091CC..G310 helixtrans51.5-118.1179.100000112.9G187 I188 F212 A213 N214G185-G187 PolarHBondContact O-N 2.85Å; G185-I188 WeakPolarHBondContact O-CG2 3.42Å; G185-I188 PolarHBondContact O-N 3.15Å; G185-F212 VanDerWaalsContact O-CE2 3.31Å; G185-F212 WeakPolarHBondContact O-CE2 3.17Å; G185-F212 WeakPolarHBondContact O-CZ 3.4Å; G185-A213 PolarHBondContact N-O 2.78Å; G185-N214 WeakPolarHBondContact CA-OD1 3.24Å
186T92.2Very high97.6Very high47 Ų4716.1 Ų16.129%0.2888%0.084SC..G310 helixtrans-68.3-11.5178.954.20000114.3K115 G184 I188 T189 L221K115-T186 HydrophobicContact CB-CG2 3.43Å; K115-T186 VanDerWaalsContact CB-CG2 3.43Å; G184-T186 PolarHBondContact O-N 3.02Å; G184-T186 VanDerWaalsContact O-N 3.16Å; T186-I188 PolarHBondContact O-N 2.84Å; T186-T189 PolarHBondContact O-N 3.09Å; T186-T189 PolarHBondContact O-OG1 2.91Å; T186-L221 HydrophobicContact CG2-CD1 4.16Å
187G96.2Very high97.7Very high3 Ų319.7 Ų19.73%0.03110%0.1CC..G310 helixtrans-65.6-1.1173.200000114.5G184 G185 P190 C278G184-G187 PolarHBondContact O-N 2.87Å; G185-G187 PolarHBondContact O-N 2.85Å; G187-P190 WeakPolarHBondContact O-CD 3.2Å; G187-C278 VanDerWaalsContact CA-SG 3.56Å; G187-C278 WeakPolarHBondContact O-CB 3.2Å
188I97.9Very high97.7Very high1 Ų115.9 Ų15.91%0.0058%0.083CC..Hα-helixtrans-69.7-27.5172.3-170.258.4000113.5A183 G185 T186 M191 L192 L210 F212 L221 V222 L226A183-I188 HydrophobicContact CB-CB 4.47Å; A183-I188 HydrophobicContact CB-CD1 4.23Å; G185-I188 WeakPolarHBondContact O-CG2 3.42Å; G185-I188 PolarHBondContact O-N 3.15Å; T186-I188 PolarHBondContact O-N 2.84Å; I188-M191 HydrophobicContact CD1-CB 4.29Å; I188-M191 WeakPolarHBondContact O-CB 3.29Å; I188-M191 PolarHBondContact O-N 2.87Å; I188-M191 VanDerWaalsContact O-N 3.08Å; I188-L192 WeakPolarHBondContact O-CB 3.13Å; I188-L192 PolarHBondContact O-N 2.71Å; I188-L210 HydrophobicContact CD1-CD1 4.4Å; I188-L210 HydrophobicContact CD1-CD2 3.6Å; I188-F212 HydrophobicContact CB-CD2 4.44Å; I188-F212 HydrophobicContact CB-CE1 4.14Å; I188-F212 HydrophobicContact CB-CE2 3.73Å; I188-F212 HydrophobicContact CB-CZ 3.56Å; I188-F212 HydrophobicContact CD1-CD1 4.08Å; I188-F212 HydrophobicContact CD1-CD2 4.35Å; I188-F212 HydrophobicContact CD1-CE1 4.14Å; I188-F212 HydrophobicContact CD1-CE2 4.4Å; I188-F212 HydrophobicContact CD1-CG 4.22Å; I188-F212 HydrophobicContact CD1-CZ 4.32Å; I188-F212 HydrophobicContact CG1-CD1 4.38Å; I188-F212 HydrophobicContact CG1-CE1 3.92Å; I188-F212 HydrophobicContact CG1-CE2 4.29Å; I188-F212 HydrophobicContact CG1-CZ 3.89Å; I188-F212 HydrophobicContact CG2-CE2 4.34Å; I188-F212 HydrophobicContact CG2-CZ 3.84Å; I188-L221 HydrophobicContact CG2-CB 4.05Å; I188-L221 HydrophobicContact CG2-CD1 4.16Å; I188-V222 HydrophobicContact CG1-CG2 3.99Å; I188-L226 HydrophobicContact CD1-CD1 4.01Å; I188-L226 HydrophobicContact CD1-CD2 4.42Å; I188-L226 HydrophobicContact CG1-CD1 4.3Å
189T97.8Very high97.7Very high13 Ų1313.4 Ų13.48%0.087%0.072CC..Hα-helixtrans-66.2-38.1-169.8600000114.6T99 V101 T186 M191 L192 Q193T99-T189 WeakPolarHBondContact O-CB 3.29Å; T99-T189 PolarHBondContact O-OG1 3.03Å; V101-T189 HydrophobicContact CG1-CG2 3.82Å; T186-T189 PolarHBondContact O-N 3.09Å; T186-T189 PolarHBondContact O-OG1 2.91Å; T189-M191 VanDerWaalsContact C-N 3.31Å; T189-M191 PolarHBondContact O-N 3.02Å; T189-L192 PolarHBondContact O-N 2.83Å; T189-Q193 PolarHBondContact O-N 2.86Å; T189-Q193 VanDerWaalsContact O-N 3.11Å
190P98.3Very high97.6Very high5 Ų519.3 Ų19.33%0.03210%0.098CC..Hα-helixtrans-64-35.5170.4-16.129.6000113.2G187 L194 C278 Y305G187-P190 WeakPolarHBondContact O-CD 3.2Å; P190-L194 PolarHBondContact O-N 3.34Å; P190-C278 HydrophobicContact CG-CB 4.39Å; P190-Y305 HydrophobicContact CB-CD1 3.71Å; P190-Y305 HydrophobicContact CB-CD2 4.03Å; P190-Y305 HydrophobicContact CB-CE1 3.52Å; P190-Y305 HydrophobicContact CB-CE2 3.84Å; P190-Y305 HydrophobicContact CB-CG 3.96Å; P190-Y305 HydrophobicContact CG-CD1 4.11Å; P190-Y305 HydrophobicContact CG-CE1 4.4Å; P190-Y305 HydrophobicContact CG-CG 4.16Å
191M98.6Very high97.5Very high0 Ų022 Ų220%011%0.112CC..Hα-helixtrans-69.3-45.7178-50.6-49.8173.800110.6M181 A183 I188 T189 Q193 L194 I195 L276 C278 Y305M181-M191 HydrophobicContact CB-CG 4.26Å; M181-M191 HydrophobicContact CB-SD 3.99Å; M181-M191 HydrophobicContact CG-SD 4.06Å; M181-M191 HydrophobicContact SD-CB 3.81Å; M181-M191 HydrophobicContact SD-CG 4.29Å; M181-M191 HydrophobicContact SD-SD 4.11Å; A183-M191 HydrophobicContact CB-CG 4.08Å; I188-M191 HydrophobicContact CD1-CB 4.29Å; I188-M191 WeakPolarHBondContact O-CB 3.29Å; I188-M191 PolarHBondContact O-N 2.87Å; I188-M191 VanDerWaalsContact O-N 3.08Å; T189-M191 VanDerWaalsContact C-N 3.31Å; T189-M191 PolarHBondContact O-N 3.02Å; M191-Q193 VanDerWaalsContact C-N 3.26Å; M191-Q193 PolarHBondContact O-N 2.88Å; M191-L194 PolarHBondContact O-N 2.97Å; M191-L194 VanDerWaalsContact O-N 3.11Å; M191-I195 HydrophobicContact CB-CD1 4.26Å; M191-I195 WeakPolarHBondContact O-CD1 3.39Å; M191-I195 VanDerWaalsContact O-CG1 3.24Å; M191-I195 WeakPolarHBondContact O-CG1 3.37Å; M191-I195 PolarHBondContact O-N 2.84Å; M191-L276 HydrophobicContact CE-CB 3.85Å; M191-L276 WeakPolarHBondContact CE-O 3.26Å; M191-L276 HydrophobicContact SD-CB 3.77Å; M191-L276 HydrophobicContact SD-CD1 4.3Å; M191-C278 HydrophobicContact CE-CB 3.66Å; M191-Y305 HydrophobicContact CE-CD2 4.09Å; M191-Y305 HydrophobicContact CE-CE2 4.07Å; M191-Y305 HydrophobicContact SD-CE2 4.17Å
192L98.3Very high97.3Very high1 Ų128.2 Ų28.21%0.00515%0.153CC..Hα-helixtrans-59.8-37.7178.8-174.465.9000111.8V101 I188 T189 I195 R196 V222 L226V101-L192 HydrophobicContact CG1-CD2 4.2Å; I188-L192 WeakPolarHBondContact O-CB 3.13Å; I188-L192 PolarHBondContact O-N 2.71Å; T189-L192 PolarHBondContact O-N 2.83Å; L192-I195 PolarHBondContact O-N 2.87Å; L192-R196 HydrophobicContact CD1-CG 4.23Å; L192-R196 HydrophobicContact CG-CG 4.4Å; L192-R196 WeakPolarHBondContact O-CB 3.42Å; L192-R196 WeakPolarHBondContact O-CG 3.37Å; L192-R196 PolarHBondContact O-N 3.2Å; L192-V222 HydrophobicContact CD1-CG2 4.35Å; L192-V222 HydrophobicContact CD2-CB 4.32Å; L192-V222 HydrophobicContact CD2-CG1 3.97Å; L192-V222 HydrophobicContact CD2-CG2 3.99Å; L192-L226 HydrophobicContact CD1-CD2 4.08Å
193Q98.3Very high97.2Very high22 Ų2232.1 Ų32.110%0.10318%0.18CC..Hα-helixtrans-59.4-45.9175.2-169.6-170.956.600111.5V79 N81 T99 T189 M191 H197V79-Q193 HydrophobicContact CG1-CG 4.41Å; N81-Q193 PolarHBondContact O-NE2 3.44Å; N81-Q193 PolarHBondContact O-OE1 3.45Å; T99-Q193 HydrophobicContact CG2-CB 4.18Å; T189-Q193 PolarHBondContact O-N 2.86Å; T189-Q193 VanDerWaalsContact O-N 3.11Å; M191-Q193 VanDerWaalsContact C-N 3.26Å; M191-Q193 PolarHBondContact O-N 2.88Å; Q193-H197 VanDerWaalsContact O-CB 3.31Å; Q193-H197 WeakPolarHBondContact O-CB 3.39Å; Q193-H197 PolarHBondContact O-N 3.49Å; Q193-H197 VanDerWaalsContact O-N 3.16Å
194L98.5Very high97.2Very high0 Ų032.4 Ų32.40%018%0.182CC..Hα-helixtrans-67.5-47.1175.6-75.3166.2000111.9V79 L153 Y155 M181 P190 M191 R196 H197 I198 L276 Y305V79-L194 HydrophobicContact CG1-CD2 3.68Å; V79-L194 HydrophobicContact CG1-CG 4.34Å; L153-L194 HydrophobicContact CD2-CD1 4.47Å; L153-L194 HydrophobicContact CD2-CD2 4.37Å; Y155-L194 HydrophobicContact CD2-CD2 3.83Å; Y155-L194 HydrophobicContact CG-CD2 3.87Å; M181-L194 HydrophobicContact CE-CB 4.3Å; P190-L194 PolarHBondContact O-N 3.34Å; M191-L194 PolarHBondContact O-N 2.97Å; M191-L194 VanDerWaalsContact O-N 3.11Å; L194-R196 VanDerWaalsContact C-N 3.35Å; L194-R196 PolarHBondContact O-N 3.15Å; L194-H197 PolarHBondContact O-N 3.46Å; L194-I198 HydrophobicContact CB-CD1 4.43Å; L194-I198 WeakPolarHBondContact O-CB 3.42Å; L194-I198 VanDerWaalsContact O-CG1 3.31Å; L194-I198 WeakPolarHBondContact O-CG1 3.48Å; L194-I198 PolarHBondContact O-N 2.99Å; L194-L276 HydrophobicContact CD1-CD1 3.27Å; L194-Y305 VanDerWaalsContact CD1-OH 3.32Å; L194-Y305 WeakPolarHBondContact CD1-OH 3.41Å
195I98.6Very high97.2Very high0 Ų036.4 Ų36.40%021%0.209CC..Hα-helixtrans-56.8-49.6-178.1-69160.9000110.5M181 M191 L192 T199 M208 L210 L226 I229 F237M181-I195 HydrophobicContact CE-CG1 4.14Å; M181-I195 HydrophobicContact SD-CD1 3.97Å; M181-I195 HydrophobicContact SD-CG1 3.94Å; M191-I195 HydrophobicContact CB-CD1 4.26Å; M191-I195 WeakPolarHBondContact O-CD1 3.39Å; M191-I195 VanDerWaalsContact O-CG1 3.24Å; M191-I195 WeakPolarHBondContact O-CG1 3.37Å; M191-I195 PolarHBondContact O-N 2.84Å; L192-I195 PolarHBondContact O-N 2.87Å; I195-T199 WeakPolarHBondContact O-CB 3.25Å; I195-T199 WeakPolarHBondContact O-CG2 3.25Å; I195-T199 PolarHBondContact O-N 2.81Å; I195-T199 PolarHBondContact O-OG1 2.83Å; I195-M208 HydrophobicContact CB-CE 4.28Å; I195-M208 HydrophobicContact CB-SD 4.26Å; I195-M208 HydrophobicContact CG1-CE 4.24Å; I195-M208 HydrophobicContact CG1-SD 3.82Å; I195-M208 HydrophobicContact CG2-CE 4.17Å; I195-L210 HydrophobicContact CD1-CD2 4.23Å; I195-L226 HydrophobicContact CD1-CD2 4.19Å; I195-I229 HydrophobicContact CG2-CD1 3.84Å; I195-I229 HydrophobicContact CG2-CG2 3.9Å; I195-F237 HydrophobicContact CD1-CE2 3.57Å; I195-F237 HydrophobicContact CD1-CZ 3.69Å; I195-F237 HydrophobicContact CG1-CD2 4.4Å; I195-F237 HydrophobicContact CG1-CE2 3.91Å; I195-F237 HydrophobicContact CG1-CZ 4.37Å; I195-F237 HydrophobicContact CG2-CD2 4.49Å; I195-F237 HydrophobicContact CG2-CE2 4.37Å; I195-F237 HydrophobicContact CG2-CZ 4.38Å
196R97.9Very high97.4Very high72 Ų7235.6 Ų35.627%0.27220%0.2SC..Hα-helixtrans-63.3-43.7177.7-74.9174.1173.3163.7-11.6112.4V101 L192 L194 K200 E225V101-R196 PolarHBondContact O-NH1 3.4Å; L192-R196 HydrophobicContact CD1-CG 4.23Å; L192-R196 HydrophobicContact CG-CG 4.4Å; L192-R196 WeakPolarHBondContact O-CB 3.42Å; L192-R196 WeakPolarHBondContact O-CG 3.37Å; L192-R196 PolarHBondContact O-N 3.2Å; L194-R196 VanDerWaalsContact C-N 3.35Å; L194-R196 PolarHBondContact O-N 3.15Å; R196-K200 WeakPolarHBondContact O-CB 3.44Å; R196-K200 PolarHBondContact O-N 2.8Å; R196-E225 IonicContact CZ-OE1 3.67Å; R196-E225 IonicContact CZ-OE2 3.19Å; R196-E225 IonicContact NE-OE1 3.36Å; R196-E225 PolarHBondContact NE-OE1 2.84Å; R196-E225 IonicContact NE-OE2 2.97Å; R196-E225 IonicContact NH2-OE1 2.66Å; R196-E225 PolarHBondContact NH2-OE1 3.16Å; R196-E225 IonicContact NH2-OE2 3.53Å; R196-E225 PolarHBondContact NH2-OE2 2.9Å
197H97.8Very high97.7Very high74 Ų7439.6 Ų39.634%0.34321%0.21SC..Hα-helixtrans-63.4-46.1-178.3-176.476.6000111.6V79 Y155 Q193 L194V79-H197 HydrophobicContact CG1-CB 4.01Å; V79-H197 HydrophobicContact CG2-CB 4.16Å; Y155-H197 AromaticContact CD1-CD2 3.48Å; Y155-H197 VanDerWaalsContact CD1-CD2 3.48Å; Y155-H197 WeakPolarHBondContact CD1-CD2 3.34Å; Y155-H197 AromaticContact CD1-NE2 3.82Å; Y155-H197 AromaticContact CE1-CD2 3.84Å; Q193-H197 VanDerWaalsContact O-CB 3.31Å; Q193-H197 WeakPolarHBondContact O-CB 3.39Å; Q193-H197 PolarHBondContact O-N 3.49Å; Q193-H197 VanDerWaalsContact O-N 3.16Å; L194-H197 PolarHBondContact O-N 3.46Å
198I98.4Very high97.8Very high0 Ų039.5 Ų39.50%021%0.209CC..Hα-helixtrans-67-48.7-179.1-70.3166.6000110.8Y155 L179 L194 K200 D201 D204 T206 M208 Q236Y155-I198 HydrophobicContact CE1-CD1 4.34Å; Y155-I198 HydrophobicContact CE1-CG1 3.77Å; Y155-I198 HydrophobicContact CE2-CD1 3.85Å; Y155-I198 HydrophobicContact CE2-CG1 4.18Å; L179-I198 HydrophobicContact CD1-CD1 3.77Å; L194-I198 HydrophobicContact CB-CD1 4.43Å; L194-I198 WeakPolarHBondContact O-CB 3.42Å; L194-I198 VanDerWaalsContact O-CG1 3.31Å; L194-I198 WeakPolarHBondContact O-CG1 3.48Å; L194-I198 PolarHBondContact O-N 2.99Å; I198-K200 VanDerWaalsContact C-N 3.25Å; I198-K200 PolarHBondContact O-N 3.48Å; I198-D201 PolarHBondContact O-N 2.83Å; I198-D204 HydrophobicContact CG2-CB 4.39Å; I198-T206 HydrophobicContact CD1-CG2 4.27Å; I198-M208 HydrophobicContact CB-CE 3.97Å; I198-M208 HydrophobicContact CB-SD 4.01Å; I198-M208 HydrophobicContact CD1-CG 4.25Å; I198-M208 HydrophobicContact CD1-SD 3.5Å; I198-M208 VanDerWaalsContact CD1-SD 3.5Å; I198-M208 HydrophobicContact CG1-SD 4.33Å; I198-M208 HydrophobicContact CG2-CE 3.75Å; I198-M208 HydrophobicContact CG2-SD 4.07Å; I198-Q236 VanDerWaalsContact CG2-NE2 3.27Å
199T97.8Very high97.9Very high19 Ų1940 Ų4012%0.11721%0.212CC..Hα-helixtrans-71.7-19.4-177.452.60000113.6I195 M208 I229 H233I195-T199 WeakPolarHBondContact O-CB 3.25Å; I195-T199 WeakPolarHBondContact O-CG2 3.25Å; I195-T199 PolarHBondContact O-N 2.81Å; I195-T199 PolarHBondContact O-OG1 2.83Å; T199-M208 HydrophobicContact CG2-CE 3.76Å; T199-I229 HydrophobicContact CG2-CG2 3.76Å; T199-H233 HydrophobicContact CG2-CB 4.27Å; T199-H233 PolarHBondContact O-NE2 2.98Å
200K96.5Very high98Very high125 Ų12539.4 Ų39.454%0.54321%0.209SC..Hα-helixtrans-73.6-27.4173.8-178.3175.4173.4178.50112.9D105 R196 I198 P202D105-K200 IonicContact OD1-NZ 3.78Å; D105-K200 PolarHBondContact OD1-NZ 3.02Å; D105-K200 IonicContact OD2-NZ 2.82Å; D105-K200 PolarHBondContact OD2-NZ 3.49Å; R196-K200 WeakPolarHBondContact O-CB 3.44Å; R196-K200 PolarHBondContact O-N 2.8Å; I198-K200 VanDerWaalsContact C-N 3.25Å; I198-K200 PolarHBondContact O-N 3.48Å; K200-P202 WeakPolarHBondContact O-CD 3.43Å
201D96.7Very high98Very high56 Ų5639.1 Ų39.130%0.29921%0.207SC..  trans-94.9106.7179.6-175.5-7.9000110.4I198 S203 D204I198-D201 PolarHBondContact O-N 2.83Å; D201-S203 VanDerWaalsContact CG-OG 3.26Å; D201-S203 PolarHBondContact O-N 3.21Å; D201-S203 VanDerWaalsContact O-N 3.09Å; D201-S203 WeakPolarHBondContact OD1-CB 3.3Å; D201-S203 PolarHBondContact OD1-N 3.27Å; D201-S203 PolarHBondContact OD1-OG 3.49Å; D201-S203 PolarHBondContact OD2-OG 2.66Å; D201-D204 HydrophobicContact CB-CB 3.99Å; D201-D204 WeakPolarHBondContact O-CB 3.44Å; D201-D204 PolarHBondContact O-N 2.82Å
202P95.5Very high98Very high131 Ų13139.1 Ų39.185%0.85121%0.207SC*.THydrogen-bonded Turntrans-67-12.1-179.529.4-36.5000113.7K200K200-P202 WeakPolarHBondContact O-CD 3.43Å
203S96.6Very high98Very high82 Ų8239.7 Ų39.757%0.57321%0.212SC*.THydrogen-bonded Turntrans-86.6-11.9173.676.10000112.9D201D201-S203 VanDerWaalsContact CG-OG 3.26Å; D201-S203 PolarHBondContact O-N 3.21Å; D201-S203 VanDerWaalsContact O-N 3.09Å; D201-S203 WeakPolarHBondContact OD1-CB 3.3Å; D201-S203 PolarHBondContact OD1-N 3.27Å; D201-S203 PolarHBondContact OD1-OG 3.49Å; D201-S203 PolarHBondContact OD2-OG 2.66Å
204D98.2Very high97.9Very high6 Ų639.1 Ų39.13%0.03221%0.209CC..  trans-85.8118.1176.5-157.3-34.8000110.6Y155 P158 I198 D201 T206 Q236Y155-D204 WeakPolarHBondContact CE1-OD2 3.43Å; Y155-D204 PolarHBondContact OH-OD1 3.39Å; Y155-D204 PolarHBondContact OH-OD2 3.27Å; P158-D204 WeakPolarHBondContact CA-OD1 3.15Å; P158-D204 WeakPolarHBondContact CA-OD2 3.34Å; P158-D204 HydrophobicContact CB-CB 4.38Å; P158-D204 HydrophobicContact CG-CB 3.97Å; I198-D204 HydrophobicContact CG2-CB 4.39Å; D201-D204 HydrophobicContact CB-CB 3.99Å; D201-D204 WeakPolarHBondContact O-CB 3.44Å; D201-D204 PolarHBondContact O-N 2.82Å; D204-T206 WeakPolarHBondContact OD1-CB 3.32Å; D204-T206 PolarHBondContact OD1-N 3.27Å; D204-T206 PolarHBondContact OD1-OG1 2.89Å; D204-Q236 PolarHBondContact O-NE2 2.86Å
205S97.3Very high97.7Very high90 Ų9043 Ų4363%0.62923%0.228SC*.  trans-107.311.718049.20000112.5R207S205-R207 PolarHBondContact O-N 2.82Å
206T98.6Very high97.5Very high1 Ų144.6 Ų44.61%0.00624%0.238CC..  trans-59.9121.4177.1-53.60000109.4Y155 G159 L179 I198 D204 Q236Y155-T206 PolarHBondContact OH-OG1 3.08Å; G159-T206 WeakPolarHBondContact CA-OG1 3.39Å; G159-T206 PolarHBondContact N-OG1 2.87Å; L179-T206 HydrophobicContact CD1-CG2 3.93Å; L179-T206 HydrophobicContact CG-CG2 3.79Å; I198-T206 HydrophobicContact CD1-CG2 4.27Å; D204-T206 WeakPolarHBondContact OD1-CB 3.32Å; D204-T206 PolarHBondContact OD1-N 3.27Å; D204-T206 PolarHBondContact OD1-OG1 2.89Å; T206-Q236 WeakPolarHBondContact O-CG 3.46Å; T206-Q236 PolarHBondContact O-NE2 3.04Å; T206-Q236 VanDerWaalsContact O-NE2 3.07Å
207R98.7Very high97.4Very high131 Ų13144.7 Ų44.749%0.49424%0.241SC..EExtended strand (participates in β ladder)trans-85143.3176.8-63.6-173177.2-138.5-5.1110.3H177 H178 L179 S205 Q236H177-R207 PolarHBondContact O-N 3.37Å; H178-R207 CarbonylContact C-O 3.54Å; H178-R207 WeakPolarHBondContact CA-O 3.3Å; L179-R207 PolarHBondContact N-O 2.79Å; S205-R207 PolarHBondContact O-N 2.82Å; R207-Q236 CarbonylContact C-O 3.58Å; R207-Q236 WeakPolarHBondContact CA-O 3.39Å
208M98.8Very high97.1Very high0 Ų048.6 Ų48.60%026%0.259CS..EExtended strand (participates in β ladder)trans-132.5135.1-175.5-62.2-179.6-68.500109.2L179 M181 I195 I198 T199 Q236 F237 D238L179-M208 HydrophobicContact CB-CG 4.22Å; L179-M208 HydrophobicContact CD1-CG 4.37Å; L179-M208 CarbonylContact O-C 3.48Å; L179-M208 VanDerWaalsContact O-CA 3.28Å; L179-M208 WeakPolarHBondContact O-CA 3.29Å; M181-M208 HydrophobicContact CE-CB 4.01Å; M181-M208 HydrophobicContact CE-CG 3.75Å; M181-M208 HydrophobicContact CE-SD 3.66Å; I195-M208 HydrophobicContact CB-CE 4.28Å; I195-M208 HydrophobicContact CB-SD 4.26Å; I195-M208 HydrophobicContact CG1-CE 4.24Å; I195-M208 HydrophobicContact CG1-SD 3.82Å; I195-M208 HydrophobicContact CG2-CE 4.17Å; I198-M208 HydrophobicContact CB-CE 3.97Å; I198-M208 HydrophobicContact CB-SD 4.01Å; I198-M208 HydrophobicContact CD1-CG 4.25Å; I198-M208 HydrophobicContact CD1-SD 3.5Å; I198-M208 VanDerWaalsContact CD1-SD 3.5Å; I198-M208 HydrophobicContact CG1-SD 4.33Å; I198-M208 HydrophobicContact CG2-CE 3.75Å; I198-M208 HydrophobicContact CG2-SD 4.07Å; T199-M208 HydrophobicContact CG2-CE 3.76Å; M208-Q236 PolarHBondContact N-O 3.01Å; M208-F237 HydrophobicContact CB-CD2 3.83Å; M208-F237 HydrophobicContact CB-CE2 4.48Å; M208-F237 HydrophobicContact CE-CD2 4.36Å; M208-F237 CarbonylContact O-C 3.57Å; M208-F237 VanDerWaalsContact O-CA 3.31Å; M208-F237 WeakPolarHBondContact O-CA 3.25Å; M208-D238 PolarHBondContact O-N 3.44Å
209S98.9Very high96.7Very high11 Ų1149.1 Ų49.18%0.07726%0.262CS..EExtended strand (participates in β ladder)trans-130.9124.6174.3-44.80000109L179 G180 M181 D238 H265 L266L179-S209 PolarHBondContact O-N 2.9Å; G180-S209 CarbonylContact C-O 3.53Å; G180-S209 WeakPolarHBondContact CA-O 3.18Å; M181-S209 PolarHBondContact N-O 2.96Å; S209-D238 CarbonylContact C-O 3.59Å; S209-D238 WeakPolarHBondContact CA-O 3.31Å; S209-D238 PolarHBondContact OG-OD2 3.34Å; S209-H265 WeakPolarHBondContact CB-O 3.46Å; S209-L266 VanDerWaalsContact O-CD2 3.24Å; S209-L266 WeakPolarHBondContact O-CD2 3.43Å
210L98.9Very high96.6Very high1 Ų149 Ų491%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-114.8123.7-174.6173.364.6000111.3M181 A183 I188 I195 F212 L226 F237 D238 L239 W240M181-L210 HydrophobicContact CB-CB 4.33Å; M181-L210 HydrophobicContact CB-CD1 3.68Å; M181-L210 WeakPolarHBondContact O-CA 3.37Å; A183-L210 HydrophobicContact CB-CD1 3.92Å; I188-L210 HydrophobicContact CD1-CD1 4.4Å; I188-L210 HydrophobicContact CD1-CD2 3.6Å; I195-L210 HydrophobicContact CD1-CD2 4.23Å; L210-F212 HydrophobicContact CD1-CB 4.34Å; L210-F212 HydrophobicContact CD2-CB 4.13Å; L210-F212 HydrophobicContact CG-CB 4.06Å; L210-L226 HydrophobicContact CD2-CD1 4.24Å; L210-L226 HydrophobicContact CD2-CD2 4.18Å; L210-F237 HydrophobicContact CB-CE2 3.79Å; L210-F237 HydrophobicContact CB-CZ 4Å; L210-F237 HydrophobicContact CD2-CZ 4.03Å; L210-D238 PolarHBondContact N-O 3.36Å; L210-L239 HydrophobicContact CB-CD1 4.32Å; L210-L239 HydrophobicContact CD2-CD1 3.78Å; L210-L239 HydrophobicContact CG-CD1 4.2Å; L210-W240 PolarHBondContact O-N 2.83Å; L210-W240 VanDerWaalsContact O-O 3.11Å
211I98.9Very high96.5Very high0 Ų043.5 Ų43.50%024%0.237CC..EExtended strand (participates in β ladder)trans-97.5114158.7-61.8173.3000107.8M181 I182 A183 W240 T242 V257 M261 I262 H265 L266M181-I211 PolarHBondContact O-N 2.89Å; I182-I211 WeakPolarHBondContact CA-O 3.34Å; A183-I211 PolarHBondContact N-O 3.36Å; I211-W240 CarbonylContact C-O 3.54Å; I211-W240 WeakPolarHBondContact CA-O 3.48Å; I211-T242 HydrophobicContact CG2-CG2 4.5Å; I211-V257 HydrophobicContact CG2-CG2 4.02Å; I211-M261 HydrophobicContact CD1-CB 4.19Å; I211-M261 WeakPolarHBondContact CD1-O 3.31Å; I211-I262 HydrophobicContact CD1-CG1 4.18Å; I211-H265 HydrophobicContact CD1-CB 4.19Å; I211-H265 HydrophobicContact CG1-CB 4.03Å; I211-L266 HydrophobicContact CD1-CD1 4.07Å; I211-L266 HydrophobicContact CD1-CD2 4.11Å; I211-L266 HydrophobicContact CD1-CG 3.74Å; I211-L266 HydrophobicContact CG1-CD2 3.95Å; I211-L266 HydrophobicContact CG1-CG 4.17Å
212F98.8Very high96.3Very high0 Ų042.4 Ų42.40%023%0.233CC..EExtended strand (participates in β ladder)trans-111.4106.3-179.2-170.6-160.1000112.1A183 G185 I188 L210 N214 I220 L221 L226 W240 Y241 T242A183-F212 HydrophobicContact CB-CD2 3.76Å; A183-F212 HydrophobicContact CB-CE2 4.24Å; G185-F212 VanDerWaalsContact O-CE2 3.31Å; G185-F212 WeakPolarHBondContact O-CE2 3.17Å; G185-F212 WeakPolarHBondContact O-CZ 3.4Å; I188-F212 HydrophobicContact CB-CD2 4.44Å; I188-F212 HydrophobicContact CB-CE1 4.14Å; I188-F212 HydrophobicContact CB-CE2 3.73Å; I188-F212 HydrophobicContact CB-CZ 3.56Å; I188-F212 HydrophobicContact CD1-CD1 4.08Å; I188-F212 HydrophobicContact CD1-CD2 4.35Å; I188-F212 HydrophobicContact CD1-CE1 4.14Å; I188-F212 HydrophobicContact CD1-CE2 4.4Å; I188-F212 HydrophobicContact CD1-CG 4.22Å; I188-F212 HydrophobicContact CD1-CZ 4.32Å; I188-F212 HydrophobicContact CG1-CD1 4.38Å; I188-F212 HydrophobicContact CG1-CE1 3.92Å; I188-F212 HydrophobicContact CG1-CE2 4.29Å; I188-F212 HydrophobicContact CG1-CZ 3.89Å; I188-F212 HydrophobicContact CG2-CE2 4.34Å; I188-F212 HydrophobicContact CG2-CZ 3.84Å; L210-F212 HydrophobicContact CD1-CB 4.34Å; L210-F212 HydrophobicContact CD2-CB 4.13Å; L210-F212 HydrophobicContact CG-CB 4.06Å; F212-N214 WeakPolarHBondContact CD2-ND2 3.26Å; F212-N214 VanDerWaalsContact CE2-ND2 3.34Å; F212-N214 WeakPolarHBondContact CE2-ND2 3.31Å; F212-N214 WeakPolarHBondContact CZ-ND2 3.34Å; F212-I220 HydrophobicContact CD1-CG2 4.01Å; F212-I220 HydrophobicContact CE1-CG2 3.78Å; F212-L221 WeakPolarHBondContact CE1-O 3.37Å; F212-L221 HydrophobicContact CZ-CB 4.37Å; F212-L226 HydrophobicContact CD1-CD1 3.86Å; F212-L226 HydrophobicContact CE1-CD1 4.13Å; F212-W240 PolarHBondContact N-O 2.96Å; F212-Y241 HydrophobicContact CB-CD1 4Å; F212-Y241 HydrophobicContact CB-CE1 4.34Å; F212-Y241 HydrophobicContact CD1-CD1 4.21Å; F212-Y241 AromaticContact CD1-CE1 3.97Å; F212-Y241 HydrophobicContact CD1-CE1 3.97Å; F212-Y241 HydrophobicContact CG-CD1 4.49Å; F212-Y241 WeakPolarHBondContact O-CA 3.46Å; F212-T242 PolarHBondContact O-N 2.96Å; F212-T242 VanDerWaalsContact O-N 3.15Å
213A98.4Very high96.3Very high13 Ų1338.9 Ų38.911%0.10720%0.202CC..EExtended strand (participates in β ladder)trans-90.4129.8-178.600000112.2A183 G184 G185 T242 V257 L283A183-A213 PolarHBondContact O-N 3.31Å; G184-A213 WeakPolarHBondContact CA-O 3.2Å; G185-A213 PolarHBondContact N-O 2.78Å; A213-T242 WeakPolarHBondContact CA-O 3.36Å; A213-T242 HydrophobicContact CB-CG2 3.63Å; A213-V257 HydrophobicContact CB-CG2 4.14Å; A213-L283 HydrophobicContact CB-CD1 3.99Å
214N96.6Very high96.3Very high9 Ų943.7 Ų43.75%0.04821%0.213CC..EExtended strand (participates in β ladder)trans-139.6167.2176.3-67.9-80.5000110.8G185 F212 D219 I220 T242 L243 D244G185-N214 WeakPolarHBondContact CA-OD1 3.24Å; F212-N214 WeakPolarHBondContact CD2-ND2 3.26Å; F212-N214 VanDerWaalsContact CE2-ND2 3.34Å; F212-N214 WeakPolarHBondContact CE2-ND2 3.31Å; F212-N214 WeakPolarHBondContact CZ-ND2 3.34Å; N214-D219 HydrophobicContact CB-CB 4.18Å; N214-D219 PolarHBondContact OD1-O 2.94Å; N214-I220 HydrophobicContact CB-CG1 4.15Å; N214-T242 PolarHBondContact N-O 3.3Å; N214-L243 HydrophobicContact CB-CD2 3.77Å; N214-L243 VanDerWaalsContact O-CA 3.28Å; N214-L243 WeakPolarHBondContact O-CA 3.26Å; N214-D244 PolarHBondContact O-N 2.91Å
215Q93.8Very high96.2Very high82 Ų8246.3 Ų46.338%0.38323%0.225SC..SBendtrans-76.6-45.2178.5-65.3-171.33000112D244 R245Q215-D244 PolarHBondContact O-N 3.06Å; Q215-R245 PolarHBondContact O-N 3.49Å
216T94.6Very high96.3Very high34 Ų3442 Ų4221%0.20920%0.195CC..SBendtrans-136.7168.3-179.868.90000110.4E218 D219 L243 R245T216-E218 VanDerWaalsContact C-N 3.27Å; T216-E218 PolarHBondContact O-N 3.17Å; T216-D219 PolarHBondContact N-OD2 2.92Å; T216-D219 WeakPolarHBondContact O-CB 3.38Å; T216-D219 PolarHBondContact O-N 3.46Å; T216-D219 VanDerWaalsContact O-N 3.15Å; T216-D219 PolarHBondContact OG1-OD2 3.03Å; T216-L243 WeakPolarHBondContact O-CD2 3.39Å; T216-R245 HydrophobicContact CG2-CB 4.36Å
217E95.1Very high96.3Very high73 Ų7345 Ų4534%0.34121%0.209SC..G310 helixtrans-61.9-35.5178.4-171.2176.3-156.600112.3D219 I220 R223 L243 P247 W250E217-D219 PolarHBondContact O-N 2.79Å; E217-I220 HydrophobicContact CG-CD1 4.3Å; E217-I220 WeakPolarHBondContact O-CG1 3.3Å; E217-I220 PolarHBondContact O-N 2.96Å; E217-R223 VanDerWaalsContact CD-NH1 3.28Å; E217-R223 IonicContact OE1-CZ 2.88Å; E217-R223 IonicContact OE1-NH1 3.4Å; E217-R223 PolarHBondContact OE1-NH1 3.07Å; E217-R223 IonicContact OE1-NH2 2.79Å; E217-L243 HydrophobicContact CB-CD1 3.92Å; E217-P247 HydrophobicContact CB-CG 4.3Å; E217-P247 WeakPolarHBondContact OE2-CG 3.45Å; E217-W250 HydrophobicContact CG-CZ3 3.91Å; E217-W250 WeakPolarHBondContact OE1-CZ3 3.36Å
218E91.2Very high96.3Very high156 Ų15642.9 Ų42.973%0.72920%0.204SC*.G310 helixtrans-70.5-18.5178.2-61.5-178-174.500113.3T216 I220T216-E218 VanDerWaalsContact C-N 3.27Å; T216-E218 PolarHBondContact O-N 3.17Å; E218-I220 VanDerWaalsContact C-N 3.31Å
219D91.4Very high96.3Very high12 Ų1243.6 Ų43.66%0.06421%0.208CC..G310 helixtrans-82-9.2177.1-72-68.9000113K115 N214 T216 E217 L221K115-D219 IonicContact NZ-OD1 3.15Å; K115-D219 PolarHBondContact NZ-OD1 2.85Å; N214-D219 HydrophobicContact CB-CB 4.18Å; N214-D219 PolarHBondContact OD1-O 2.94Å; T216-D219 PolarHBondContact N-OD2 2.92Å; T216-D219 WeakPolarHBondContact O-CB 3.38Å; T216-D219 PolarHBondContact O-N 3.46Å; T216-D219 VanDerWaalsContact O-N 3.15Å; T216-D219 PolarHBondContact OG1-OD2 3.03Å; E217-D219 PolarHBondContact O-N 2.79Å; D219-L221 PolarHBondContact O-N 2.95Å
220I95Very high96.2Very high16 Ų1644.2 Ų44.28%0.08221%0.214CC..  trans-69.8101.5-177.2-55.4173000109.6F212 N214 E217 E218 R223 Y241 L243 W250F212-I220 HydrophobicContact CD1-CG2 4.01Å; F212-I220 HydrophobicContact CE1-CG2 3.78Å; N214-I220 HydrophobicContact CB-CG1 4.15Å; E217-I220 HydrophobicContact CG-CD1 4.3Å; E217-I220 WeakPolarHBondContact O-CG1 3.3Å; E217-I220 PolarHBondContact O-N 2.96Å; E218-I220 VanDerWaalsContact C-N 3.31Å; I220-R223 HydrophobicContact CB-CB 4.26Å; I220-R223 HydrophobicContact CG2-CB 3.68Å; I220-R223 HydrophobicContact CG2-CG 4Å; I220-Y241 HydrophobicContact CD1-CD1 4.2Å; I220-Y241 HydrophobicContact CD1-CE1 4.46Å; I220-Y241 HydrophobicContact CG2-CD1 4.19Å; I220-Y241 HydrophobicContact CG2-CE1 3.69Å; I220-L243 HydrophobicContact CD1-CD2 4.21Å; I220-L243 HydrophobicContact CG1-CD2 4.21Å; I220-W250 HydrophobicContact CD1-CH2 3.75Å; I220-W250 HydrophobicContact CD1-CZ2 4.43Å
221L93.7Very high96.2Very high10 Ų1051.9 Ų51.95%0.05224%0.243CC..THydrogen-bonded Turntrans-66.8145175.7-58.1-176.3000110.9T61 I113 T186 I188 F212 D219 R223T61-L221 HydrophobicContact CG2-CD2 3.66Å; T61-L221 WeakPolarHBondContact OG1-CD2 3.36Å; I113-L221 HydrophobicContact CG2-CD1 4.34Å; T186-L221 HydrophobicContact CG2-CD1 4.16Å; I188-L221 HydrophobicContact CG2-CB 4.05Å; I188-L221 HydrophobicContact CG2-CD1 4.16Å; F212-L221 WeakPolarHBondContact CE1-O 3.37Å; F212-L221 HydrophobicContact CZ-CB 4.37Å; D219-L221 PolarHBondContact O-N 2.95Å; L221-R223 PolarHBondContact O-N 3.27Å
222V93.4Very high96.2Very high33 Ų3354.8 Ų54.820%0.226%0.26CS..THydrogen-bonded Turntrans50.426.7174.4-59.90000114.7I113 I188 L192 K224 E225 L226I113-V222 HydrophobicContact CD1-CG1 3.89Å; I188-V222 HydrophobicContact CG1-CG2 3.99Å; L192-V222 HydrophobicContact CD1-CG2 4.35Å; L192-V222 HydrophobicContact CD2-CB 4.32Å; L192-V222 HydrophobicContact CD2-CG1 3.97Å; L192-V222 HydrophobicContact CD2-CG2 3.99Å; V222-K224 PolarHBondContact O-N 2.98Å; V222-E225 WeakPolarHBondContact O-CB 3.25Å; V222-E225 PolarHBondContact O-N 2.79Å; V222-E225 VanDerWaalsContact O-N 3.16Å; V222-L226 HydrophobicContact CG2-CD1 4.01Å; V222-L226 HydrophobicContact CG2-CG 4.06Å; V222-L226 PolarHBondContact O-N 2.81Å
223R95.7Very high96.2Very high57 Ų5757.5 Ų57.522%0.21527%0.273CS..Hα-helixtrans-53.4-53-174.4-176.2174.5176.2178.3-2.8113.6E217 I220 L221 E225 L226 E227E217-R223 VanDerWaalsContact CD-NH1 3.28Å; E217-R223 IonicContact OE1-CZ 2.88Å; E217-R223 IonicContact OE1-NH1 3.4Å; E217-R223 PolarHBondContact OE1-NH1 3.07Å; E217-R223 IonicContact OE1-NH2 2.79Å; I220-R223 HydrophobicContact CB-CB 4.26Å; I220-R223 HydrophobicContact CG2-CB 3.68Å; I220-R223 HydrophobicContact CG2-CG 4Å; L221-R223 PolarHBondContact O-N 3.27Å; R223-E225 PolarHBondContact O-N 2.86Å; R223-L226 PolarHBondContact O-N 3.27Å; R223-L226 VanDerWaalsContact O-N 3.15Å; R223-E227 HydrophobicContact CG-CG 4.25Å; R223-E227 IonicContact CZ-OE1 3.9Å; R223-E227 IonicContact NE-OE1 3.8Å; R223-E227 PolarHBondContact NE-OE1 3.41Å; R223-E227 IonicContact NE-OE2 3.17Å; R223-E227 IonicContact NH2-OE1 2.98Å; R223-E227 PolarHBondContact NH2-OE1 2.92Å; R223-E227 WeakPolarHBondContact O-CG 3.35Å; R223-E227 PolarHBondContact O-N 3.29Å
224K96.2Very high96.1Very high182 Ų18260.6 Ų60.679%0.79129%0.292SS*.Hα-helixtrans-56.7-38.8-177.6-68.1-175.7178.6-179.60111.8V222 E228V222-K224 PolarHBondContact O-N 2.98Å; K224-E228 VanDerWaalsContact O-CB 3.29Å; K224-E228 WeakPolarHBondContact O-CB 3.43Å; K224-E228 PolarHBondContact O-N 2.76Å
225E96.7Very high96.1Very high61 Ų6166.2 Ų66.229%0.28532%0.322SS..Hα-helixtrans-70.1-46.4178.1174.4173.2-15100111.6R196 V222 R223 E227 E228 I229R196-E225 IonicContact CZ-OE1 3.67Å; R196-E225 IonicContact CZ-OE2 3.19Å; R196-E225 IonicContact NE-OE1 3.36Å; R196-E225 PolarHBondContact NE-OE1 2.84Å; R196-E225 IonicContact NE-OE2 2.97Å; R196-E225 IonicContact NH2-OE1 2.66Å; R196-E225 PolarHBondContact NH2-OE1 3.16Å; R196-E225 IonicContact NH2-OE2 3.53Å; R196-E225 PolarHBondContact NH2-OE2 2.9Å; V222-E225 WeakPolarHBondContact O-CB 3.25Å; V222-E225 PolarHBondContact O-N 2.79Å; V222-E225 VanDerWaalsContact O-N 3.16Å; R223-E225 PolarHBondContact O-N 2.86Å; E225-E227 VanDerWaalsContact C-N 3.33Å; E225-E227 PolarHBondContact O-N 3.34Å; E225-E228 PolarHBondContact O-N 3.48Å; E225-I229 HydrophobicContact CG-CD1 3.94Å; E225-I229 VanDerWaalsContact O-CG1 3.3Å; E225-I229 WeakPolarHBondContact O-CG1 3.46Å; E225-I229 PolarHBondContact O-N 3.42Å
226L98.4Very high96.3Very high0 Ų063.5 Ų63.50%031%0.309CS..Hα-helixtrans-60-44.1177-66.6171.7000111.6I188 L192 I195 L210 F212 V222 R223 E228 I229 A230 F237 L239I188-L226 HydrophobicContact CD1-CD1 4.01Å; I188-L226 HydrophobicContact CD1-CD2 4.42Å; I188-L226 HydrophobicContact CG1-CD1 4.3Å; L192-L226 HydrophobicContact CD1-CD2 4.08Å; I195-L226 HydrophobicContact CD1-CD2 4.19Å; L210-L226 HydrophobicContact CD2-CD1 4.24Å; L210-L226 HydrophobicContact CD2-CD2 4.18Å; F212-L226 HydrophobicContact CD1-CD1 3.86Å; F212-L226 HydrophobicContact CE1-CD1 4.13Å; V222-L226 HydrophobicContact CG2-CD1 4.01Å; V222-L226 HydrophobicContact CG2-CG 4.06Å; V222-L226 PolarHBondContact O-N 2.81Å; R223-L226 PolarHBondContact O-N 3.27Å; R223-L226 VanDerWaalsContact O-N 3.15Å; L226-E228 VanDerWaalsContact C-N 3.34Å; L226-I229 PolarHBondContact O-N 2.84Å; L226-A230 WeakPolarHBondContact O-CB 3.45Å; L226-A230 PolarHBondContact O-N 3.49Å; L226-F237 HydrophobicContact CD2-CE1 4.31Å; L226-F237 HydrophobicContact CD2-CZ 4.1Å; L226-L239 HydrophobicContact CB-CD1 4.25Å; L226-L239 HydrophobicContact CB-CD2 3.7Å; L226-L239 HydrophobicContact CD1-CD1 4.43Å
227E98.5Very high96.5Very high65 Ų6562 Ų6230%0.30430%0.3SS..Hα-helixtrans-64.3-38.5177.3-70.6179.5166.300111.8R223 E225 A230 R231 L239R223-E227 HydrophobicContact CG-CG 4.25Å; R223-E227 IonicContact CZ-OE1 3.9Å; R223-E227 IonicContact NE-OE1 3.8Å; R223-E227 PolarHBondContact NE-OE1 3.41Å; R223-E227 IonicContact NE-OE2 3.17Å; R223-E227 IonicContact NH2-OE1 2.98Å; R223-E227 PolarHBondContact NH2-OE1 2.92Å; R223-E227 WeakPolarHBondContact O-CG 3.35Å; R223-E227 PolarHBondContact O-N 3.29Å; E225-E227 VanDerWaalsContact C-N 3.33Å; E225-E227 PolarHBondContact O-N 3.34Å; E227-A230 PolarHBondContact O-N 3.05Å; E227-R231 WeakPolarHBondContact O-CB 3.17Å; E227-R231 PolarHBondContact O-N 3.03Å; E227-L239 HydrophobicContact CG-CD2 4.19Å
228E98.6Very high96.7Very high85 Ų8562.8 Ų62.840%0.39731%0.307SS..Hα-helixtrans-66.6-41.1175.7178.759.5-169.400112K224 E225 L226 R231 T232K224-E228 VanDerWaalsContact O-CB 3.29Å; K224-E228 WeakPolarHBondContact O-CB 3.43Å; K224-E228 PolarHBondContact O-N 2.76Å; E225-E228 PolarHBondContact O-N 3.48Å; L226-E228 VanDerWaalsContact C-N 3.34Å; E228-R231 VanDerWaalsContact CD-NH2 3.3Å; E228-R231 PolarHBondContact O-N 3.24Å; E228-R231 IonicContact OE1-CZ 2.65Å; E228-R231 IonicContact OE1-NE 3.17Å; E228-R231 IonicContact OE1-NH2 3.41Å; E228-R231 PolarHBondContact OE1-NH2 3.04Å; E228-R231 IonicContact OE2-CZ 3.51Å; E228-R231 IonicContact OE2-NE 3.59Å; E228-R231 PolarHBondContact OE2-NE 3.29Å; E228-R231 IonicContact OE2-NH2 3.5Å; E228-R231 PolarHBondContact OE2-NH2 2.93Å; E228-R231 VanDerWaalsContact OE2-NH2 3.17Å; E228-T232 HydrophobicContact CG-CG2 4.49Å; E228-T232 WeakPolarHBondContact O-CB 3.21Å; E228-T232 WeakPolarHBondContact O-CG2 3.33Å; E228-T232 PolarHBondContact O-N 3.49Å; E228-T232 PolarHBondContact O-OG1 2.93Å; E228-T232 VanDerWaalsContact OE1-CG2 3.27Å; E228-T232 WeakPolarHBondContact OE1-CG2 3.34Å
229I98.5Very high97.1Very high16 Ų1656.6 Ų56.68%0.08228%0.278CS..Hα-helixtrans-63.5-45175.4-66.1170.4000110I195 T199 E225 L226 R231 T232 H233 F237I195-I229 HydrophobicContact CG2-CD1 3.84Å; I195-I229 HydrophobicContact CG2-CG2 3.9Å; T199-I229 HydrophobicContact CG2-CG2 3.76Å; E225-I229 HydrophobicContact CG-CD1 3.94Å; E225-I229 VanDerWaalsContact O-CG1 3.3Å; E225-I229 WeakPolarHBondContact O-CG1 3.46Å; E225-I229 PolarHBondContact O-N 3.42Å; L226-I229 PolarHBondContact O-N 2.84Å; I229-R231 VanDerWaalsContact C-N 3.27Å; I229-R231 PolarHBondContact O-N 2.84Å; I229-T232 WeakPolarHBondContact CA-OG1 3.09Å; I229-T232 PolarHBondContact O-N 3.17Å; I229-T232 PolarHBondContact O-OG1 2.97Å; I229-H233 WeakPolarHBondContact O-CB 3.29Å; I229-H233 PolarHBondContact O-N 3.27Å; I229-F237 HydrophobicContact CB-CD1 4.1Å; I229-F237 HydrophobicContact CB-CE1 4.43Å; I229-F237 HydrophobicContact CG2-CB 4.24Å; I229-F237 HydrophobicContact CG2-CD1 3.62Å; I229-F237 HydrophobicContact CG2-CE1 4.28Å; I229-F237 HydrophobicContact CG2-CG 4.12Å
230A98.6Very high97.4Very high24 Ų2459 Ų5920%0.19829%0.286CS..Hα-helixtrans-62.1-36.6177.600000111.9L226 E227 P234 F237 L239L226-A230 WeakPolarHBondContact O-CB 3.45Å; L226-A230 PolarHBondContact O-N 3.49Å; E227-A230 PolarHBondContact O-N 3.05Å; A230-P234 WeakPolarHBondContact O-CA 3.42Å; A230-F237 HydrophobicContact CB-CD1 3.88Å; A230-F237 HydrophobicContact CB-CE1 4.28Å; A230-L239 HydrophobicContact CB-CB 4Å; A230-L239 HydrophobicContact CB-CD2 4.18Å
231R98.5Very high97.6Very high162 Ų16258.2 Ų58.261%0.61128%0.282SS*.Hα-helixtrans-70.1-37.9176.6-170-16868.973.6-2.7112.9E227 E228 I229E227-R231 WeakPolarHBondContact O-CB 3.17Å; E227-R231 PolarHBondContact O-N 3.03Å; E228-R231 VanDerWaalsContact CD-NH2 3.3Å; E228-R231 PolarHBondContact O-N 3.24Å; E228-R231 IonicContact OE1-CZ 2.65Å; E228-R231 IonicContact OE1-NE 3.17Å; E228-R231 IonicContact OE1-NH2 3.41Å; E228-R231 PolarHBondContact OE1-NH2 3.04Å; E228-R231 IonicContact OE2-CZ 3.51Å; E228-R231 IonicContact OE2-NE 3.59Å; E228-R231 PolarHBondContact OE2-NE 3.29Å; E228-R231 IonicContact OE2-NH2 3.5Å; E228-R231 PolarHBondContact OE2-NH2 2.93Å; E228-R231 VanDerWaalsContact OE2-NH2 3.17Å; I229-R231 VanDerWaalsContact C-N 3.27Å; I229-R231 PolarHBondContact O-N 2.84Å
232T98.4Very high97.9Very high60 Ų6057.7 Ų57.737%0.36828%0.28SS..Hα-helixtrans-88.4-22.9-175.450.50000113.4E228 I229E228-T232 HydrophobicContact CG-CG2 4.49Å; E228-T232 WeakPolarHBondContact O-CB 3.21Å; E228-T232 WeakPolarHBondContact O-CG2 3.33Å; E228-T232 PolarHBondContact O-N 3.49Å; E228-T232 PolarHBondContact O-OG1 2.93Å; E228-T232 VanDerWaalsContact OE1-CG2 3.27Å; E228-T232 WeakPolarHBondContact OE1-CG2 3.34Å; I229-T232 WeakPolarHBondContact CA-OG1 3.09Å; I229-T232 PolarHBondContact O-N 3.17Å; I229-T232 PolarHBondContact O-OG1 2.97Å
233H98.4Very high98.1Very high58 Ų5856.1 Ų56.127%0.26927%0.27SS..  trans-126.452.4-179.8-57.577.6000112T199 I229 D235 Q236 F237T199-H233 HydrophobicContact CG2-CB 4.27Å; T199-H233 PolarHBondContact O-NE2 2.98Å; I229-H233 WeakPolarHBondContact O-CB 3.29Å; I229-H233 PolarHBondContact O-N 3.27Å; H233-D235 PolarHBondContact O-N 3.32Å; H233-D235 VanDerWaalsContact O-N 3.17Å; H233-Q236 HydrophobicContact CB-CB 4.19Å; H233-Q236 PolarHBondContact O-N 3.05Å; H233-F237 PolarHBondContact O-N 2.83Å
234P97.8Very high98.1Very high77 Ų7756.2 Ų56.250%0.528%0.275SS..THydrogen-bonded Turntrans-64.9-23.7-170.628-36.8000114A230 Q236A230-P234 WeakPolarHBondContact O-CA 3.42Å; P234-Q236 VanDerWaalsContact C-N 3.31Å
235D96.8Very high98.1Very high128 Ų12854 Ų5468%0.68426%0.262SS*.THydrogen-bonded Turntrans-83.9-8176.4-65-51.7000113.5H233H233-D235 PolarHBondContact O-N 3.32Å; H233-D235 VanDerWaalsContact O-N 3.17Å
236Q97.9Very high98.2Very high25 Ų2553.3 Ų53.312%0.11726%0.263CS..THydrogen-bonded Turntrans-122.1-30-171.9-166.5177.427.100113.4I198 D204 T206 R207 M208 H233 P234I198-Q236 VanDerWaalsContact CG2-NE2 3.27Å; D204-Q236 PolarHBondContact O-NE2 2.86Å; T206-Q236 WeakPolarHBondContact O-CG 3.46Å; T206-Q236 PolarHBondContact O-NE2 3.04Å; T206-Q236 VanDerWaalsContact O-NE2 3.07Å; R207-Q236 CarbonylContact C-O 3.58Å; R207-Q236 WeakPolarHBondContact CA-O 3.39Å; M208-Q236 PolarHBondContact N-O 3.01Å; H233-Q236 HydrophobicContact CB-CB 4.19Å; H233-Q236 PolarHBondContact O-N 3.05Å; P234-Q236 VanDerWaalsContact C-N 3.31Å
237F98.8Very high98.1Very high3 Ų356 Ų561%0.01328%0.28CS..EExtended strand (participates in β ladder)trans-130.1108.8-176-175.2-124.5000113.2I195 M208 L210 L226 I229 A230 H233 L239I195-F237 HydrophobicContact CD1-CE2 3.57Å; I195-F237 HydrophobicContact CD1-CZ 3.69Å; I195-F237 HydrophobicContact CG1-CD2 4.4Å; I195-F237 HydrophobicContact CG1-CE2 3.91Å; I195-F237 HydrophobicContact CG1-CZ 4.37Å; I195-F237 HydrophobicContact CG2-CD2 4.49Å; I195-F237 HydrophobicContact CG2-CE2 4.37Å; I195-F237 HydrophobicContact CG2-CZ 4.38Å; M208-F237 HydrophobicContact CB-CD2 3.83Å; M208-F237 HydrophobicContact CB-CE2 4.48Å; M208-F237 HydrophobicContact CE-CD2 4.36Å; M208-F237 CarbonylContact O-C 3.57Å; M208-F237 VanDerWaalsContact O-CA 3.31Å; M208-F237 WeakPolarHBondContact O-CA 3.25Å; L210-F237 HydrophobicContact CB-CE2 3.79Å; L210-F237 HydrophobicContact CB-CZ 4Å; L210-F237 HydrophobicContact CD2-CZ 4.03Å; L226-F237 HydrophobicContact CD2-CE1 4.31Å; L226-F237 HydrophobicContact CD2-CZ 4.1Å; I229-F237 HydrophobicContact CB-CD1 4.1Å; I229-F237 HydrophobicContact CB-CE1 4.43Å; I229-F237 HydrophobicContact CG2-CB 4.24Å; I229-F237 HydrophobicContact CG2-CD1 3.62Å; I229-F237 HydrophobicContact CG2-CE1 4.28Å; I229-F237 HydrophobicContact CG2-CG 4.12Å; A230-F237 HydrophobicContact CB-CD1 3.88Å; A230-F237 HydrophobicContact CB-CE1 4.28Å; H233-F237 PolarHBondContact O-N 2.83Å; F237-L239 HydrophobicContact CE1-CB 4.06Å; F237-L239 HydrophobicContact CE1-CD1 4.33Å; F237-L239 HydrophobicContact CE1-CD2 4.35Å; F237-L239 HydrophobicContact CZ-CB 4.32Å; F237-L239 HydrophobicContact CZ-CD1 4.08Å
238D98.8Very high98Very high89 Ų8961.6 Ų61.648%0.47631%0.31SS..EExtended strand (participates in β ladder)trans-92.9135.2170.6-59.4-54.8000110.6M208 S209 L210M208-D238 PolarHBondContact O-N 3.44Å; S209-D238 CarbonylContact C-O 3.59Å; S209-D238 WeakPolarHBondContact CA-O 3.31Å; S209-D238 PolarHBondContact OG-OD2 3.34Å; L210-D238 PolarHBondContact N-O 3.36Å
239L98.9Very high97.9Very high25 Ų2561.1 Ų61.113%0.13133%0.328CS..EExtended strand (participates in β ladder)trans-128.8122.3-175.9178.762.3000111.4L210 L226 E227 A230 F237 Y241L210-L239 HydrophobicContact CB-CD1 4.32Å; L210-L239 HydrophobicContact CD2-CD1 3.78Å; L210-L239 HydrophobicContact CG-CD1 4.2Å; L226-L239 HydrophobicContact CB-CD1 4.25Å; L226-L239 HydrophobicContact CB-CD2 3.7Å; L226-L239 HydrophobicContact CD1-CD1 4.43Å; E227-L239 HydrophobicContact CG-CD2 4.19Å; A230-L239 HydrophobicContact CB-CB 4Å; A230-L239 HydrophobicContact CB-CD2 4.18Å; F237-L239 HydrophobicContact CE1-CB 4.06Å; F237-L239 HydrophobicContact CE1-CD1 4.33Å; F237-L239 HydrophobicContact CE1-CD2 4.35Å; F237-L239 HydrophobicContact CZ-CB 4.32Å; F237-L239 HydrophobicContact CZ-CD1 4.08Å; L239-Y241 HydrophobicContact CD1-CE1 4.08Å; L239-Y241 HydrophobicContact CD2-CE2 4.09Å; L239-Y241 VanDerWaalsContact CD2-OH 3.28Å; L239-Y241 WeakPolarHBondContact CD2-OH 3.31Å; L239-Y241 HydrophobicContact CG-CE1 4.43Å; L239-Y241 HydrophobicContact CG-CE2 4.06Å
240W98.9Very high97.9Very high62 Ų6262.1 Ų62.124%0.23533%0.33CS..EExtended strand (participates in β ladder)trans-131.6143.6176.5-159.8-103.1000111.7L210 I211 F212 Y252 S253 H265L210-W240 PolarHBondContact O-N 2.83Å; L210-W240 VanDerWaalsContact O-O 3.11Å; I211-W240 CarbonylContact C-O 3.54Å; I211-W240 WeakPolarHBondContact CA-O 3.48Å; F212-W240 PolarHBondContact N-O 2.96Å; W240-Y252 AromaticContact CD2-CD1 3.91Å; W240-Y252 HydrophobicContact CD2-CD1 3.91Å; W240-Y252 AromaticContact CE3-CD1 3.79Å; W240-Y252 HydrophobicContact CE3-CD1 3.79Å; W240-Y252 HydrophobicContact CE3-CE1 4.23Å; W240-Y252 HydrophobicContact CH2-CD1 4.26Å; W240-Y252 HydrophobicContact CZ2-CD1 4.35Å; W240-Y252 AromaticContact CZ3-CD1 3.97Å; W240-Y252 HydrophobicContact CZ3-CD1 3.97Å; W240-Y252 HydrophobicContact CZ3-CE1 4.43Å; W240-S253 PolarHBondContact NE1-OG 3.09Å; W240-H265 HydrophobicContact CB-CB 4.07Å; W240-H265 AromaticContact CD1-CD2 3.34Å; W240-H265 AromaticContact CD1-CG 3.89Å; W240-H265 AromaticContact CD1-NE2 3.56Å; W240-H265 AromaticContact CD2-CD2 3.77Å; W240-H265 AromaticContact CD2-CE1 3.32Å; W240-H265 AromaticContact CD2-CG 3.87Å; W240-H265 AromaticContact CD2-ND1 3.59Å; W240-H265 AromaticContact CD2-NE2 3.43Å; W240-H265 AromaticContact CE2-CD2 3.75Å; W240-H265 AromaticContact CE2-CE1 3.34Å; W240-H265 AromaticContact CE2-NE2 3.09Å; W240-H265 AromaticContact CE3-CE1 3.53Å; W240-H265 AromaticContact CE3-ND1 3.73Å; W240-H265 HydrophobicContact CG-CB 4.28Å; W240-H265 AromaticContact CG-CD2 3.53Å; W240-H265 AromaticContact CG-CE1 3.89Å; W240-H265 AromaticContact CG-CG 3.61Å; W240-H265 AromaticContact CG-ND1 3.83Å; W240-H265 AromaticContact CG-NE2 3.72Å; W240-H265 AromaticContact CH2-CE1 3.77Å; W240-H265 AromaticContact CZ2-CE1 3.58Å; W240-H265 AromaticContact CZ2-NE2 3.52Å; W240-H265 AromaticContact CZ3-CE1 3.75Å; W240-H265 AromaticContact NE1-CD2 3.46Å; W240-H265 PolarHBondContact NE1-CD2 2.82Å; W240-H265 AromaticContact NE1-CE1 3.87Å; W240-H265 AromaticContact NE1-NE2 3.17Å; W240-H265 PolarHBondContact NE1-NE2 2.84Å; W240-H265 VanDerWaalsContact NE1-NE2 3.17Å
241Y98.9Very high97.8Very high0 Ų068 Ų680%035%0.352CS..EExtended strand (participates in β ladder)trans-117.2152.2179.4-59-75.3000111.5F212 I220 L239 W250 Y252 S253F212-Y241 HydrophobicContact CB-CD1 4Å; F212-Y241 HydrophobicContact CB-CE1 4.34Å; F212-Y241 HydrophobicContact CD1-CD1 4.21Å; F212-Y241 AromaticContact CD1-CE1 3.97Å; F212-Y241 HydrophobicContact CD1-CE1 3.97Å; F212-Y241 HydrophobicContact CG-CD1 4.49Å; F212-Y241 WeakPolarHBondContact O-CA 3.46Å; I220-Y241 HydrophobicContact CD1-CD1 4.2Å; I220-Y241 HydrophobicContact CD1-CE1 4.46Å; I220-Y241 HydrophobicContact CG2-CD1 4.19Å; I220-Y241 HydrophobicContact CG2-CE1 3.69Å; L239-Y241 HydrophobicContact CD1-CE1 4.08Å; L239-Y241 HydrophobicContact CD2-CE2 4.09Å; L239-Y241 VanDerWaalsContact CD2-OH 3.28Å; L239-Y241 WeakPolarHBondContact CD2-OH 3.31Å; L239-Y241 HydrophobicContact CG-CE1 4.43Å; L239-Y241 HydrophobicContact CG-CE2 4.06Å; Y241-W250 HydrophobicContact CD2-CH2 4.29Å; Y241-W250 HydrophobicContact CD2-CZ2 4.49Å; Y241-W250 HydrophobicContact CG-CH2 4.32Å; Y241-W250 HydrophobicContact CG-CZ2 4.26Å; Y241-Y252 HydrophobicContact CD2-CD1 4.01Å; Y241-Y252 AromaticContact CD2-CD2 3.77Å; Y241-Y252 HydrophobicContact CD2-CD2 3.77Å; Y241-Y252 AromaticContact CD2-CE1 3.73Å; Y241-Y252 HydrophobicContact CD2-CE1 3.73Å; Y241-Y252 AromaticContact CD2-CE2 3.46Å; Y241-Y252 HydrophobicContact CD2-CE2 3.46Å; Y241-Y252 VanDerWaalsContact CD2-CE2 3.46Å; Y241-Y252 HydrophobicContact CD2-CG 4.02Å; Y241-Y252 AromaticContact CD2-CZ 3.43Å; Y241-Y252 VanDerWaalsContact CD2-CZ 3.43Å; Y241-Y252 HydrophobicContact CE2-CE1 4.3Å; Y241-Y252 AromaticContact CE2-CE2 4Å; Y241-Y252 HydrophobicContact CE2-CE2 4Å; Y241-Y252 AromaticContact CE2-CZ 3.76Å; Y241-Y252 HydrophobicContact CG-CD2 4.47Å; Y241-Y252 WeakPolarHBondContact O-CB 3.36Å; Y241-S253 PolarHBondContact O-N 3.46Å
242T98.7Very high97.8Very high0 Ų062.2 Ų62.20%033%0.33CS..EExtended strand (participates in β ladder)trans-137.1141.4162.9-167.10000110.6I211 F212 A213 N214 S253 G255 V257 M261I211-T242 HydrophobicContact CG2-CG2 4.5Å; F212-T242 PolarHBondContact O-N 2.96Å; F212-T242 VanDerWaalsContact O-N 3.15Å; A213-T242 WeakPolarHBondContact CA-O 3.36Å; A213-T242 HydrophobicContact CB-CG2 3.63Å; N214-T242 PolarHBondContact N-O 3.3Å; T242-S253 WeakPolarHBondContact CA-O 3.33Å; T242-S253 PolarHBondContact OG1-O 2.77Å; T242-G255 WeakPolarHBondContact CG2-O 3.21Å; T242-G255 PolarHBondContact OG1-O 3.25Å; T242-V257 HydrophobicContact CG2-CG2 4.18Å; T242-M261 HydrophobicContact CG2-SD 4.36Å
243L98.3Very high97.8Very high0 Ų060.4 Ų60.40%032%0.32CS..EExtended strand (participates in β ladder)trans-123.3135.3-177.8-64.8-177.6000111.6N214 T216 E217 I220 R245 P246 W250 S253 S254 G255N214-L243 HydrophobicContact CB-CD2 3.77Å; N214-L243 VanDerWaalsContact O-CA 3.28Å; N214-L243 WeakPolarHBondContact O-CA 3.26Å; T216-L243 WeakPolarHBondContact O-CD2 3.39Å; E217-L243 HydrophobicContact CB-CD1 3.92Å; I220-L243 HydrophobicContact CD1-CD2 4.21Å; I220-L243 HydrophobicContact CG1-CD2 4.21Å; L243-R245 VanDerWaalsContact C-N 3.28Å; L243-R245 PolarHBondContact O-N 2.88Å; L243-P246 HydrophobicContact CB-CB 4.11Å; L243-P246 HydrophobicContact CD1-CB 4.29Å; L243-W250 HydrophobicContact CD1-CD2 3.8Å; L243-W250 HydrophobicContact CD1-CE3 4.1Å; L243-W250 HydrophobicContact CD1-CG 4.41Å; L243-W250 HydrophobicContact CD1-CH2 3.93Å; L243-W250 HydrophobicContact CD1-CZ2 3.57Å; L243-W250 HydrophobicContact CD1-CZ3 4.18Å; L243-W250 HydrophobicContact CD2-CZ2 4.46Å; L243-W250 HydrophobicContact CG-CH2 4.37Å; L243-W250 HydrophobicContact CG-CZ2 3.65Å; L243-S253 PolarHBondContact N-O 2.83Å; L243-S254 CarbonylContact O-C 3.55Å; L243-S254 WeakPolarHBondContact O-CA 3.49Å; L243-G255 PolarHBondContact O-N 2.93Å
244D95.9Very high97.8Very high58 Ų5861 Ų6131%0.3133%0.331SS..SBendtrans-62.4-39.1172.2-65.2-15.5000111.5N214 Q215 F256N214-D244 PolarHBondContact O-N 2.91Å; Q215-D244 PolarHBondContact O-N 3.06Å; D244-F256 WeakPolarHBondContact OD1-CD1 3.47Å; D244-F256 WeakPolarHBondContact OD1-CE1 3.4Å
245R96.5Very high97.7Very high136 Ų13658.4 Ų58.451%0.51332%0.318SS..SBendtrans-132.379.6-177.9-62.7-178.6-61.9-79.55109.4Q215 T216 L243Q215-R245 PolarHBondContact O-N 3.49Å; T216-R245 HydrophobicContact CG2-CB 4.36Å; L243-R245 VanDerWaalsContact C-N 3.28Å; L243-R245 PolarHBondContact O-N 2.88Å
246P97.3Very high97.7Very high47 Ų4758.8 Ų58.831%0.30531%0.313SS..PPolyproline II helixtrans-72.1149.4179.630.6-35.9000111.7L243 W250 S254L243-P246 HydrophobicContact CB-CB 4.11Å; L243-P246 HydrophobicContact CD1-CB 4.29Å; P246-W250 HydrophobicContact CB-CB 3.64Å; P246-W250 HydrophobicContact CB-CG 3.65Å; P246-S254 WeakPolarHBondContact CD-OG 3.31Å; P246-S254 WeakPolarHBondContact CG-OG 3.47Å
247P97.3Very high97.8Very high55 Ų5557.9 Ų57.936%0.35731%0.31SS..PPolyproline II helixtrans-72.4167.416832-34.5000111.6E217 G249 W250E217-P247 HydrophobicContact CB-CG 4.3Å; E217-P247 WeakPolarHBondContact OE2-CG 3.45Å; P247-G249 PolarHBondContact O-N 2.78Å; P247-W250 HydrophobicContact CG-CB 4.49Å; P247-W250 WeakPolarHBondContact O-CB 3.33Å; P247-W250 PolarHBondContact O-N 2.84Å
248I96.4Very high97.7Very high183 Ų18360.3 Ų60.394%0.93833%0.325SS*.THydrogen-bonded Turntrans-60.1133.7172.5-62172.7000109.2
249G96.4Very high97.7Very high75 Ų7556.5 Ų56.577%0.77331%0.306SS*.THydrogen-bonded Turntrans82.210.6179.700000114.6P247 K251P247-G249 PolarHBondContact O-N 2.78Å; G249-K251 PolarHBondContact O-N 2.86Å
250W97.9Very high97.7Very high37 Ų3760.9 Ų60.914%0.1433%0.329CS..  trans-58.9123.8172.6-175.5-117.4000111.4E217 I220 Y241 L243 P246 P247 Y252 S253E217-W250 HydrophobicContact CG-CZ3 3.91Å; E217-W250 WeakPolarHBondContact OE1-CZ3 3.36Å; I220-W250 HydrophobicContact CD1-CH2 3.75Å; I220-W250 HydrophobicContact CD1-CZ2 4.43Å; Y241-W250 HydrophobicContact CD2-CH2 4.29Å; Y241-W250 HydrophobicContact CD2-CZ2 4.49Å; Y241-W250 HydrophobicContact CG-CH2 4.32Å; Y241-W250 HydrophobicContact CG-CZ2 4.26Å; L243-W250 HydrophobicContact CD1-CD2 3.8Å; L243-W250 HydrophobicContact CD1-CE3 4.1Å; L243-W250 HydrophobicContact CD1-CG 4.41Å; L243-W250 HydrophobicContact CD1-CH2 3.93Å; L243-W250 HydrophobicContact CD1-CZ2 3.57Å; L243-W250 HydrophobicContact CD1-CZ3 4.18Å; L243-W250 HydrophobicContact CD2-CZ2 4.46Å; L243-W250 HydrophobicContact CG-CH2 4.37Å; L243-W250 HydrophobicContact CG-CZ2 3.65Å; P246-W250 HydrophobicContact CB-CB 3.64Å; P246-W250 HydrophobicContact CB-CG 3.65Å; P247-W250 HydrophobicContact CG-CB 4.49Å; P247-W250 WeakPolarHBondContact O-CB 3.33Å; P247-W250 PolarHBondContact O-N 2.84Å; W250-Y252 VanDerWaalsContact CD1-O 3.27Å; W250-Y252 HydrophobicContact CD2-CD2 4.17Å; W250-Y252 AromaticContact CE2-CD2 3.72Å; W250-Y252 HydrophobicContact CE3-CD2 4.26Å; W250-Y252 AromaticContact CH2-CD2 3.52Å; W250-Y252 HydrophobicContact CH2-CD2 3.52Å; W250-Y252 AromaticContact CH2-CE2 3.96Å; W250-Y252 HydrophobicContact CH2-CE2 3.96Å; W250-Y252 AromaticContact CZ2-CD2 3.42Å; W250-Y252 HydrophobicContact CZ2-CD2 3.42Å; W250-Y252 VanDerWaalsContact CZ2-CD2 3.42Å; W250-Y252 HydrophobicContact CZ2-CE2 4.3Å; W250-Y252 HydrophobicContact CZ2-CG 4.04Å; W250-Y252 AromaticContact CZ3-CD2 3.95Å; W250-Y252 HydrophobicContact CZ3-CD2 3.95Å; W250-Y252 HydrophobicContact CZ3-CE2 4.28Å; W250-S253 PolarHBondContact NE1-O 3.09Å
251K97.2Very high97.7Very high149 Ų14958.7 Ų58.765%0.64832%0.322SS*.  trans-89.9-5.9-17269.4-178-175177.60114.7G249G249-K251 PolarHBondContact O-N 2.86Å
252Y98.4Very high97.7Very high40 Ų4058.7 Ų58.716%0.15732%0.322CS..SBendtrans-110.9-168-178.8-52-90.8000110.8W240 Y241 W250W240-Y252 AromaticContact CD2-CD1 3.91Å; W240-Y252 HydrophobicContact CD2-CD1 3.91Å; W240-Y252 AromaticContact CE3-CD1 3.79Å; W240-Y252 HydrophobicContact CE3-CD1 3.79Å; W240-Y252 HydrophobicContact CE3-CE1 4.23Å; W240-Y252 HydrophobicContact CH2-CD1 4.26Å; W240-Y252 HydrophobicContact CZ2-CD1 4.35Å; W240-Y252 AromaticContact CZ3-CD1 3.97Å; W240-Y252 HydrophobicContact CZ3-CD1 3.97Å; W240-Y252 HydrophobicContact CZ3-CE1 4.43Å; Y241-Y252 HydrophobicContact CD2-CD1 4.01Å; Y241-Y252 AromaticContact CD2-CD2 3.77Å; Y241-Y252 HydrophobicContact CD2-CD2 3.77Å; Y241-Y252 AromaticContact CD2-CE1 3.73Å; Y241-Y252 HydrophobicContact CD2-CE1 3.73Å; Y241-Y252 AromaticContact CD2-CE2 3.46Å; Y241-Y252 HydrophobicContact CD2-CE2 3.46Å; Y241-Y252 VanDerWaalsContact CD2-CE2 3.46Å; Y241-Y252 HydrophobicContact CD2-CG 4.02Å; Y241-Y252 AromaticContact CD2-CZ 3.43Å; Y241-Y252 VanDerWaalsContact CD2-CZ 3.43Å; Y241-Y252 HydrophobicContact CE2-CE1 4.3Å; Y241-Y252 AromaticContact CE2-CE2 4Å; Y241-Y252 HydrophobicContact CE2-CE2 4Å; Y241-Y252 AromaticContact CE2-CZ 3.76Å; Y241-Y252 HydrophobicContact CG-CD2 4.47Å; Y241-Y252 WeakPolarHBondContact O-CB 3.36Å; W250-Y252 VanDerWaalsContact CD1-O 3.27Å; W250-Y252 HydrophobicContact CD2-CD2 4.17Å; W250-Y252 AromaticContact CE2-CD2 3.72Å; W250-Y252 HydrophobicContact CE3-CD2 4.26Å; W250-Y252 AromaticContact CH2-CD2 3.52Å; W250-Y252 HydrophobicContact CH2-CD2 3.52Å; W250-Y252 AromaticContact CH2-CE2 3.96Å; W250-Y252 HydrophobicContact CH2-CE2 3.96Å; W250-Y252 AromaticContact CZ2-CD2 3.42Å; W250-Y252 HydrophobicContact CZ2-CD2 3.42Å; W250-Y252 VanDerWaalsContact CZ2-CD2 3.42Å; W250-Y252 HydrophobicContact CZ2-CE2 4.3Å; W250-Y252 HydrophobicContact CZ2-CG 4.04Å; W250-Y252 AromaticContact CZ3-CD2 3.95Å; W250-Y252 HydrophobicContact CZ3-CD2 3.95Å; W250-Y252 HydrophobicContact CZ3-CE2 4.28Å
253S98.5Very high97.7Very high22 Ų2266 Ų6615%0.15435%0.354CS..EExtended strand (participates in β ladder)trans-69.1161.5-179.3-650000113.7W240 Y241 T242 L243 W250W240-S253 PolarHBondContact NE1-OG 3.09Å; Y241-S253 PolarHBondContact O-N 3.46Å; T242-S253 WeakPolarHBondContact CA-O 3.33Å; T242-S253 PolarHBondContact OG1-O 2.77Å; L243-S253 PolarHBondContact N-O 2.83Å; W250-S253 PolarHBondContact NE1-O 3.09Å
254S98.1Very high97.7Very high71 Ų7172.8 Ų72.850%0.49739%0.386SS..EExtended strand (participates in β ladder)trans-126.5144.5175.5-176.90000110.4L243 P246L243-S254 CarbonylContact O-C 3.55Å; L243-S254 WeakPolarHBondContact O-CA 3.49Å; P246-S254 WeakPolarHBondContact CD-OG 3.31Å; P246-S254 WeakPolarHBondContact CG-OG 3.47Å
255G96.8Very high97.9Very high22 Ų2271.5 Ų71.523%0.22738%0.378CS..SBendtrans87.3-169.5179.900000114T242 L243T242-G255 WeakPolarHBondContact CG2-O 3.21Å; T242-G255 PolarHBondContact OG1-O 3.25Å; L243-G255 PolarHBondContact O-N 2.93Å
256F96.8Very high98Very high135 Ų13565.5 Ų65.559%0.59236%0.356SS*.SBendtrans-66.1158.6176.6-61.7-27.6000112.1D244 T258D244-F256 WeakPolarHBondContact OD1-CD1 3.47Å; D244-F256 WeakPolarHBondContact OD1-CE1 3.4Å; F256-T258 WeakPolarHBondContact O-CG2 3.28Å; F256-T258 PolarHBondContact O-N 2.87Å
257V98.2Very high98Very high6 Ų663.9 Ų63.94%0.03635%0.345CS..  trans-58.9125.6177.61800000110.1I182 I211 A213 T242 I262 A287 N291I182-V257 HydrophobicContact CG2-CG1 4.41Å; I182-V257 HydrophobicContact CG2-CG2 4.06Å; I211-V257 HydrophobicContact CG2-CG2 4.02Å; A213-V257 HydrophobicContact CB-CG2 4.14Å; T242-V257 HydrophobicContact CG2-CG2 4.18Å; V257-I262 HydrophobicContact CG1-CD1 3.86Å; V257-I262 HydrophobicContact CG1-CG1 3.8Å; V257-A287 HydrophobicContact CB-CB 4.27Å; V257-N291 PolarHBondContact O-ND2 3.06Å
258T98.5Very high98.1Very high54 Ų5465.8 Ų65.833%0.33136%0.358SS..  trans-110165.417966.60000112.1F256 D260 M261 I262F256-T258 WeakPolarHBondContact O-CG2 3.28Å; F256-T258 PolarHBondContact O-N 2.87Å; T258-D260 PolarHBondContact O-N 3.29Å; T258-M261 HydrophobicContact CG2-CE 4Å; T258-M261 PolarHBondContact O-N 2.62Å; T258-M261 WeakPolarHBondContact OG1-CG 3.33Å; T258-M261 PolarHBondContact OG1-N 2.7Å; T258-I262 WeakPolarHBondContact O-CG1 3.47Å; T258-I262 PolarHBondContact O-N 3.39Å; T258-I262 VanDerWaalsContact O-N 3.07Å
259A98.5Very high98.1Very high9 Ų959.7 Ų59.77%0.07433%0.33CS..Hα-helixtrans-58.2-37171.300000112.4I262 K263 N291 K294 L295A259-I262 PolarHBondContact O-N 2.65Å; A259-K263 VanDerWaalsContact O-CB 3.29Å; A259-K263 WeakPolarHBondContact O-CB 3.33Å; A259-K263 PolarHBondContact O-N 2.94Å; A259-N291 HydrophobicContact CB-CB 4.04Å; A259-K294 HydrophobicContact CB-CD 4.5Å; A259-L295 HydrophobicContact CB-CD1 4.22Å; A259-L295 HydrophobicContact CB-CD2 4.49Å; A259-L295 HydrophobicContact CB-CG 4.34Å; A259-L295 WeakPolarHBondContact O-CD1 3.3Å
260D98.6Very high98.1Very high118 Ų11857.2 Ų57.263%0.63130%0.304SS*.Hα-helixtrans-67-43.3179.2-63.8-30.7000111.2T258 I262 K263 E264T258-D260 PolarHBondContact O-N 3.29Å; D260-I262 VanDerWaalsContact C-N 3.33Å; D260-I262 PolarHBondContact O-N 2.73Å; D260-K263 PolarHBondContact O-N 2.92Å; D260-E264 WeakPolarHBondContact O-CB 3.33Å; D260-E264 PolarHBondContact O-N 3.45Å
261M98.7Very high97.9Very high15 Ų1564.8 Ų64.87%0.07434%0.338CS..Hα-helixtrans-59.1-44.8174-65.2174.3-158.900111.6I211 T242 T258 E264 H265I211-M261 HydrophobicContact CD1-CB 4.19Å; I211-M261 WeakPolarHBondContact CD1-O 3.31Å; T242-M261 HydrophobicContact CG2-SD 4.36Å; T258-M261 HydrophobicContact CG2-CE 4Å; T258-M261 PolarHBondContact O-N 2.62Å; T258-M261 WeakPolarHBondContact OG1-CG 3.33Å; T258-M261 PolarHBondContact OG1-N 2.7Å; M261-E264 PolarHBondContact O-N 3.31Å; M261-H265 WeakPolarHBondContact O-CB 3.26Å; M261-H265 PolarHBondContact O-CD2 3.37Å; M261-H265 VanDerWaalsContact O-CD2 3.24Å; M261-H265 PolarHBondContact O-N 3.47Å
262I98.8Very high97.8Very high0 Ų059.7 Ų59.70%032%0.321CS..Hα-helixtrans-62.6-44.5177.7-71.3165.1000110.7I182 I211 V257 T258 A259 D260 E264 L266 N291 L292 L295 Y297I182-I262 HydrophobicContact CD1-CD1 4.01Å; I182-I262 HydrophobicContact CD1-CG1 4.09Å; I211-I262 HydrophobicContact CD1-CG1 4.18Å; V257-I262 HydrophobicContact CG1-CD1 3.86Å; V257-I262 HydrophobicContact CG1-CG1 3.8Å; T258-I262 WeakPolarHBondContact O-CG1 3.47Å; T258-I262 PolarHBondContact O-N 3.39Å; T258-I262 VanDerWaalsContact O-N 3.07Å; A259-I262 PolarHBondContact O-N 2.65Å; D260-I262 VanDerWaalsContact C-N 3.33Å; D260-I262 PolarHBondContact O-N 2.73Å; I262-E264 VanDerWaalsContact C-N 3.32Å; I262-E264 PolarHBondContact O-N 3.49Å; I262-L266 HydrophobicContact CG1-CD1 4.27Å; I262-L266 HydrophobicContact CG2-CB 4.44Å; I262-L266 HydrophobicContact CG2-CD1 4.12Å; I262-L266 VanDerWaalsContact O-CB 3.31Å; I262-L266 WeakPolarHBondContact O-CB 3.29Å; I262-L266 PolarHBondContact O-N 3.38Å; I262-N291 HydrophobicContact CD1-CB 3.68Å; I262-L292 HydrophobicContact CD1-CD2 4.38Å; I262-L292 HydrophobicContact CD1-CG 4.24Å; I262-L292 HydrophobicContact CG2-CD2 3.87Å; I262-L295 HydrophobicContact CB-CD1 3.76Å; I262-L295 HydrophobicContact CG2-CD1 3.37Å; I262-Y297 HydrophobicContact CG2-CE2 4.03Å
263K98.6Very high97.8Very high154 Ų15458.1 Ų58.167%0.6732%0.316SS*.Hα-helixtrans-65.5-36.8-179.3-176.9-177.7175.5-172.90112.3A259 D260 L295A259-K263 VanDerWaalsContact O-CB 3.29Å; A259-K263 WeakPolarHBondContact O-CB 3.33Å; A259-K263 PolarHBondContact O-N 2.94Å; D260-K263 PolarHBondContact O-N 2.92Å; K263-L295 HydrophobicContact CB-CD1 4.32Å; K263-L295 HydrophobicContact CB-CD2 4.2Å; K263-L295 HydrophobicContact CD-CD2 4.45Å
264E98.6Very high97.8Very high143 Ų14357.1 Ų57.167%0.66831%0.309SS*.Hα-helixtrans-80.5-37.6-177.4-169.8175.8161.600112.6D260 M261 I262D260-E264 WeakPolarHBondContact O-CB 3.33Å; D260-E264 PolarHBondContact O-N 3.45Å; M261-E264 PolarHBondContact O-N 3.31Å; I262-E264 VanDerWaalsContact C-N 3.32Å; I262-E264 PolarHBondContact O-N 3.49Å
265H98.7Very high97.8Very high31 Ų3153.7 Ų53.714%0.14429%0.285CS..Hα-helixtrans-115.4-4.1-167.4-53.8-59.5000115.2S209 I211 W240 M261S209-H265 WeakPolarHBondContact CB-O 3.46Å; I211-H265 HydrophobicContact CD1-CB 4.19Å; I211-H265 HydrophobicContact CG1-CB 4.03Å; W240-H265 HydrophobicContact CB-CB 4.07Å; W240-H265 AromaticContact CD1-CD2 3.34Å; W240-H265 AromaticContact CD1-CG 3.89Å; W240-H265 AromaticContact CD1-NE2 3.56Å; W240-H265 AromaticContact CD2-CD2 3.77Å; W240-H265 AromaticContact CD2-CE1 3.32Å; W240-H265 AromaticContact CD2-CG 3.87Å; W240-H265 AromaticContact CD2-ND1 3.59Å; W240-H265 AromaticContact CD2-NE2 3.43Å; W240-H265 AromaticContact CE2-CD2 3.75Å; W240-H265 AromaticContact CE2-CE1 3.34Å; W240-H265 AromaticContact CE2-NE2 3.09Å; W240-H265 AromaticContact CE3-CE1 3.53Å; W240-H265 AromaticContact CE3-ND1 3.73Å; W240-H265 HydrophobicContact CG-CB 4.28Å; W240-H265 AromaticContact CG-CD2 3.53Å; W240-H265 AromaticContact CG-CE1 3.89Å; W240-H265 AromaticContact CG-CG 3.61Å; W240-H265 AromaticContact CG-ND1 3.83Å; W240-H265 AromaticContact CG-NE2 3.72Å; W240-H265 AromaticContact CH2-CE1 3.77Å; W240-H265 AromaticContact CZ2-CE1 3.58Å; W240-H265 AromaticContact CZ2-NE2 3.52Å; W240-H265 AromaticContact CZ3-CE1 3.75Å; W240-H265 AromaticContact NE1-CD2 3.46Å; W240-H265 PolarHBondContact NE1-CD2 2.82Å; W240-H265 AromaticContact NE1-CE1 3.87Å; W240-H265 AromaticContact NE1-NE2 3.17Å; W240-H265 PolarHBondContact NE1-NE2 2.84Å; W240-H265 VanDerWaalsContact NE1-NE2 3.17Å; M261-H265 WeakPolarHBondContact O-CB 3.26Å; M261-H265 PolarHBondContact O-CD2 3.37Å; M261-H265 VanDerWaalsContact O-CD2 3.24Å; M261-H265 PolarHBondContact O-N 3.47Å
266L98.8Very high97.9Very high10 Ų1052.7 Ų52.75%0.05227%0.274CS..SBendtrans-115.8153.8175.1-60.3-171.4000111.7I182 S209 I211 I262 I275I182-L266 HydrophobicContact CD1-CD1 3.87Å; I182-L266 HydrophobicContact CG1-CD1 3.64Å; S209-L266 VanDerWaalsContact O-CD2 3.24Å; S209-L266 WeakPolarHBondContact O-CD2 3.43Å; I211-L266 HydrophobicContact CD1-CD1 4.07Å; I211-L266 HydrophobicContact CD1-CD2 4.11Å; I211-L266 HydrophobicContact CD1-CG 3.74Å; I211-L266 HydrophobicContact CG1-CD2 3.95Å; I211-L266 HydrophobicContact CG1-CG 4.17Å; I262-L266 HydrophobicContact CG1-CD1 4.27Å; I262-L266 HydrophobicContact CG2-CB 4.44Å; I262-L266 HydrophobicContact CG2-CD1 4.12Å; I262-L266 VanDerWaalsContact O-CB 3.31Å; I262-L266 WeakPolarHBondContact O-CB 3.29Å; I262-L266 PolarHBondContact O-N 3.38Å; L266-I275 HydrophobicContact CD1-CD1 4.45Å
267P98.4Very high98Very high12 Ų1246.2 Ų46.28%0.07825%0.246CC..PPolyproline II helixtrans-61.8136.4176.625.5-36.7000111.2H178 T273 I275 Y297H178-P267 HydrophobicContact CB-CB 3.63Å; H178-P267 HydrophobicContact CB-CG 3.84Å; P267-T273 HydrophobicContact CB-CG2 4.1Å; P267-T273 HydrophobicContact CG-CG2 3.8Å; P267-I275 HydrophobicContact CG-CD1 4.37Å; P267-Y297 WeakPolarHBondContact O-CE1 3.42Å; P267-Y297 PolarHBondContact O-OH 2.81Å
268P98.2Very high98Very high96 Ų9647 Ų4762%0.62325%0.252SS*.PPolyproline II helixtrans-60.5159.4-178.427.8-36000112G270 T273P268-G270 PolarHBondContact O-N 3.34Å; P268-T273 PolarHBondContact O-OG1 2.82Å
269P98.1Very high97.9Very high55 Ų5545.4 Ų45.436%0.35725%0.246SC..SBendtrans-57.5133.8176.625.8-35.4000110.4Y297 M301P269-Y297 HydrophobicContact CB-CD1 3.87Å; P269-Y297 HydrophobicContact CB-CD2 4.44Å; P269-Y297 HydrophobicContact CB-CE1 4.1Å; P269-Y297 HydrophobicContact CB-CG 4.07Å; P269-M301 HydrophobicContact CB-SD 3.97Å
270G96.6Very high97.6Very high23 Ų2348.2 Ų48.224%0.23726%0.263CS..  trans-174.6163.4-172.700000112.8P268 S272 T273P268-G270 PolarHBondContact O-N 3.34Å; G270-S272 PolarHBondContact O-N 3.23Å; G270-T273 PolarHBondContact O-N 2.89Å; G270-T273 VanDerWaalsContact O-N 3.11Å
271K92.9Very high97.4Very high195 Ų19546.3 Ų46.385%0.84826%0.257SS*.THydrogen-bonded Turntrans-61.1-30.4-176.2-68.2-176.2178.71790113.4
272S94.8Very high97.1Very high42 Ų4249.1 Ų49.129%0.29428%0.276SS..THydrogen-bonded Turntrans-104.116.6-179.4-570000112.8A176 H177 H178 G270A176-S272 CarbonylContact C-O 3.15Å; A176-S272 VanDerWaalsContact CA-O 3.25Å; A176-S272 WeakPolarHBondContact CA-O 3.2Å; H177-S272 PolarHBondContact N-O 3.19Å; H178-S272 PolarHBondContact N-O 2.97Å; H178-S272 VanDerWaalsContact N-O 3.07Å; G270-S272 PolarHBondContact O-N 3.23Å
273T98.3Very high96.9Very high7 Ų750 Ų504%0.04328%0.281CS..EExtended strand (participates in β ladder)trans-104.1135.1177.7-57.40000110H178 P267 P268 G270 I275 Y297H178-T273 WeakPolarHBondContact O-CA 3.36Å; P267-T273 HydrophobicContact CB-CG2 4.1Å; P267-T273 HydrophobicContact CG-CG2 3.8Å; P268-T273 PolarHBondContact O-OG1 2.82Å; G270-T273 PolarHBondContact O-N 2.89Å; G270-T273 VanDerWaalsContact O-N 3.11Å; T273-I275 HydrophobicContact CG2-CD1 3.92Å; T273-I275 HydrophobicContact CG2-CG1 4.45Å; T273-Y297 HydrophobicContact CG2-CE1 4.19Å
274L98.7Very high96.9Very high1 Ų144 Ų441%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-131.5129.1168.3179.969.1000109L153 L161 I163 A176 H178 L179 G180 L276 M301 F303L153-L274 HydrophobicContact CD1-CD2 4.43Å; L161-L274 HydrophobicContact CD1-CD2 4.35Å; L161-L274 HydrophobicContact CD2-CD2 3.74Å; I163-L274 HydrophobicContact CD1-CD1 3.98Å; I163-L274 HydrophobicContact CD1-CD2 3.92Å; A176-L274 HydrophobicContact CB-CB 3.73Å; H178-L274 PolarHBondContact O-N 3.36Å; L179-L274 CarbonylContact C-O 3.56Å; L179-L274 VanDerWaalsContact CA-O 3.3Å; L179-L274 WeakPolarHBondContact CA-O 3.24Å; L179-L274 HydrophobicContact CD2-CB 3.9Å; L179-L274 HydrophobicContact CD2-CD2 4.15Å; L179-L274 HydrophobicContact CD2-CG 4.46Å; G180-L274 PolarHBondContact N-O 2.73Å; L274-L276 HydrophobicContact CD2-CD2 3.71Å; L274-L276 HydrophobicContact CG-CD2 3.86Å; L274-M301 CarbonylContact C-O 3.5Å; L274-F303 HydrophobicContact CD1-CB 4.35Å
275I98.8Very high96.8Very high0 Ų043.7 Ų43.70%025%0.254CS..EExtended strand (participates in β ladder)trans-101.3123.3175.4-52.9-57.2000109G180 I182 L266 P267 T273 V277 L292 Y297 M301 I302 F303G180-I275 CarbonylContact O-C 3.6Å; G180-I275 VanDerWaalsContact O-CA 3.27Å; G180-I275 WeakPolarHBondContact O-CA 3.3Å; I182-I275 HydrophobicContact CD1-CG2 4.38Å; L266-I275 HydrophobicContact CD1-CD1 4.45Å; P267-I275 HydrophobicContact CG-CD1 4.37Å; T273-I275 HydrophobicContact CG2-CD1 3.92Å; T273-I275 HydrophobicContact CG2-CG1 4.45Å; I275-V277 HydrophobicContact CG2-CG2 4.09Å; I275-L292 HydrophobicContact CB-CD2 4.47Å; I275-L292 HydrophobicContact CG1-CD2 4.09Å; I275-L292 HydrophobicContact CG2-CD1 3.83Å; I275-L292 HydrophobicContact CG2-CD2 3.98Å; I275-Y297 HydrophobicContact CD1-CD1 4.2Å; I275-Y297 HydrophobicContact CD1-CE1 3.67Å; I275-Y297 HydrophobicContact CG1-CD1 3.6Å; I275-Y297 HydrophobicContact CG1-CE1 3.62Å; I275-Y297 HydrophobicContact CG1-CG 4.46Å; I275-M301 PolarHBondContact N-O 2.93Å; I275-I302 HydrophobicContact CB-CG1 4.48Å; I275-I302 CarbonylContact O-C 3.43Å; I275-I302 WeakPolarHBondContact O-CA 3.27Å; I275-F303 PolarHBondContact O-N 2.91Å
276L98.8Very high96.5Very high0 Ų046.5 Ų46.50%027%0.274CS..EExtended strand (participates in β ladder)trans-103.9129177.6-54.4-178.2000108.9L153 G180 M181 I182 M191 L194 L274 F303 Y305L153-L276 HydrophobicContact CD1-CD2 3.55Å; G180-L276 PolarHBondContact O-N 2.81Å; M181-L276 CarbonylContact C-O 3.5Å; M181-L276 WeakPolarHBondContact CA-O 3.43Å; M181-L276 HydrophobicContact CE-CD1 4.25Å; M181-L276 HydrophobicContact CG-CB 4.38Å; M181-L276 HydrophobicContact CG-CD1 4.33Å; I182-L276 PolarHBondContact N-O 3.39Å; M191-L276 HydrophobicContact CE-CB 3.85Å; M191-L276 WeakPolarHBondContact CE-O 3.26Å; M191-L276 HydrophobicContact SD-CB 3.77Å; M191-L276 HydrophobicContact SD-CD1 4.3Å; L194-L276 HydrophobicContact CD1-CD1 3.27Å; L274-L276 HydrophobicContact CD2-CD2 3.71Å; L274-L276 HydrophobicContact CG-CD2 3.86Å; L276-F303 CarbonylContact C-O 3.57Å; L276-F303 WeakPolarHBondContact CA-O 3.31Å; L276-F303 HydrophobicContact CD2-CB 3.88Å; L276-F303 HydrophobicContact CD2-CD1 4.2Å; L276-F303 HydrophobicContact CD2-CG 4.41Å; L276-Y305 HydrophobicContact CB-CE2 4.24Å
277V98.8Very high96.4Very high0 Ų046.4 Ų46.40%027%0.274CS..EExtended strand (participates in β ladder)trans-125.8128.3-178.6-170.60000109.7I182 I275 L283 I284 A288 L292 I302 F303 T304 Y305I182-V277 HydrophobicContact CB-CG1 4.41Å; I182-V277 HydrophobicContact CB-CG2 4.45Å; I182-V277 WeakPolarHBondContact O-CA 3.2Å; I275-V277 HydrophobicContact CG2-CG2 4.09Å; V277-L283 HydrophobicContact CG1-CD2 3.9Å; V277-I284 HydrophobicContact CG1-CG1 4.01Å; V277-A288 HydrophobicContact CG1-CB 3.83Å; V277-A288 HydrophobicContact CG2-CB 4.4Å; V277-L292 HydrophobicContact CG2-CD1 4.23Å; V277-I302 HydrophobicContact CG2-CG2 4.24Å; V277-F303 PolarHBondContact N-O 2.81Å; V277-T304 WeakPolarHBondContact O-CA 3.44Å; V277-Y305 PolarHBondContact O-N 2.99Å
278C98.3Very high96.3Very high23 Ų2345.8 Ų45.816%0.15527%0.271CS..EExtended strand (participates in β ladder)trans-147.6127.1171.2-169.50000110.6I182 A183 G184 G187 P190 M191 Y305I182-C278 PolarHBondContact O-N 3.29Å; A183-C278 CarbonylContact C-O 3.57Å; A183-C278 VanDerWaalsContact CA-O 3.27Å; A183-C278 WeakPolarHBondContact CA-O 3.14Å; G184-C278 PolarHBondContact N-O 3.08Å; G187-C278 VanDerWaalsContact CA-SG 3.56Å; G187-C278 WeakPolarHBondContact O-CB 3.2Å; P190-C278 HydrophobicContact CG-CB 4.39Å; M191-C278 HydrophobicContact CE-CB 3.66Å; C278-Y305 HydrophobicContact CB-CD2 4.04Å; C278-Y305 HydrophobicContact CB-CG 4.32Å
279G96.1Very high96.3Very high20 Ų2043.3 Ų43.321%0.20625%0.251CS..SBendtrans172.8-172.6-178.300000112.2I284G279-I284 VanDerWaalsContact O-CD1 3.23Å; G279-I284 WeakPolarHBondContact O-CD1 3.45Å
280P92.8Very high96.3Very high67 Ų6743.3 Ų43.344%0.43525%0.251SS..  trans-65.8154.917730.5-36.4000111P282 L283 I284P280-P282 VanDerWaalsContact C-CD 3.44Å; P280-P282 VanDerWaalsContact C-N 3.32Å; P280-P282 VanDerWaalsContact O-N 3.16Å; P280-L283 HydrophobicContact CG-CB 4.05Å; P280-L283 WeakPolarHBondContact O-CB 3.01Å; P280-L283 PolarHBondContact O-N 3.27Å; P280-I284 PolarHBondContact O-N 2.85Å
281P92.9Very high96.4Very high79 Ų7943.8 Ų43.851%0.51325%0.248SC..Hα-helixtrans-50.9-40-177.4-26.633.2000115.2L283 I284 Q285P281-L283 PolarHBondContact O-N 3.21Å; P281-I284 PolarHBondContact O-N 3.38Å; P281-Q285 WeakPolarHBondContact O-CB 3.3Å; P281-Q285 WeakPolarHBondContact O-CG 3.24Å; P281-Q285 PolarHBondContact O-N 3.16Å
282P92.4Very high96.7Very high73 Ų7334.5 Ų34.547%0.47421%0.208SC..Hα-helixtrans-58.5-45.8174.1-26.336.6000113.2P280 I284 T286 A287P280-P282 VanDerWaalsContact C-CD 3.44Å; P280-P282 VanDerWaalsContact C-N 3.32Å; P280-P282 VanDerWaalsContact O-N 3.16Å; P282-I284 VanDerWaalsContact C-N 3.28Å; P282-I284 PolarHBondContact O-N 2.96Å; P282-T286 PolarHBondContact O-N 2.84Å; P282-T286 PolarHBondContact O-OG1 3.06Å; P282-A287 PolarHBondContact O-N 2.84Å
283L96.3Very high96.8Very high19 Ų1939.1 Ų39.110%0.09922%0.224CC..Iπ-helixtrans-57.7-44.7177.2177.6154.3000111I182 A213 V277 P280 P281 A287 A288I182-L283 HydrophobicContact CG2-CD2 3.99Å; A213-L283 HydrophobicContact CB-CD1 3.99Å; V277-L283 HydrophobicContact CG1-CD2 3.9Å; P280-L283 HydrophobicContact CG-CB 4.05Å; P280-L283 WeakPolarHBondContact O-CB 3.01Å; P280-L283 PolarHBondContact O-N 3.27Å; P281-L283 PolarHBondContact O-N 3.21Å; L283-A287 WeakPolarHBondContact O-CB 3.49Å; L283-A287 PolarHBondContact O-N 2.97Å; L283-A288 HydrophobicContact CD2-CB 4.33Å; L283-A288 WeakPolarHBondContact O-CB 3.48Å; L283-A288 PolarHBondContact O-N 3.36Å
284I97.3Very high96.8Very high28 Ų2846.7 Ų46.714%0.14426%0.257CS..Iπ-helixtrans-69.5-55.4-176.8-61.6172.3000110.3V277 G279 P280 P281 P282 H289 T304V277-I284 HydrophobicContact CG1-CG1 4.01Å; G279-I284 VanDerWaalsContact O-CD1 3.23Å; G279-I284 WeakPolarHBondContact O-CD1 3.45Å; P280-I284 PolarHBondContact O-N 2.85Å; P281-I284 PolarHBondContact O-N 3.38Å; P282-I284 VanDerWaalsContact C-N 3.28Å; P282-I284 PolarHBondContact O-N 2.96Å; I284-H289 VanDerWaalsContact CG2-CD2 3.49Å; I284-H289 WeakPolarHBondContact CG2-CD2 3.46Å; I284-H289 WeakPolarHBondContact O-CB 3.48Å; I284-H289 PolarHBondContact O-CD2 3.14Å; I284-H289 VanDerWaalsContact O-CD2 3.26Å; I284-H289 PolarHBondContact O-N 2.54Å; I284-T304 HydrophobicContact CD1-CG2 3.81Å; I284-T304 HydrophobicContact CG1-CG2 4.37Å; I284-T304 HydrophobicContact CG2-CG2 3.88Å
285Q96Very high96.8Very high136 Ų13648.9 Ų48.964%0.63627%0.268SS*.Iπ-helixtrans-83.4-29.4-165.2-63.3174.70.800113.3P281 P290P281-Q285 WeakPolarHBondContact O-CB 3.3Å; P281-Q285 WeakPolarHBondContact O-CG 3.24Å; P281-Q285 PolarHBondContact O-N 3.16Å; Q285-P290 WeakPolarHBondContact O-CD 3.34Å; Q285-P290 VanDerWaalsContact O-CG 3.27Å; Q285-P290 WeakPolarHBondContact O-CG 3.15Å
286T93.7Very high96.8Very high91 Ų9151 Ų5156%0.55829%0.29SS*.Iπ-helixtrans-110.1-28.9-174.673.90000113.3P282P282-T286 PolarHBondContact O-N 2.84Å; P282-T286 PolarHBondContact O-OG1 3.06Å
287A95.7Very high96.8Very high7 Ų751.5 Ų51.56%0.05829%0.292CS..Iπ-helixtrans-105-50.1-176.600000113.4V257 P282 L283 N291V257-A287 HydrophobicContact CB-CB 4.27Å; P282-A287 PolarHBondContact O-N 2.84Å; L283-A287 WeakPolarHBondContact O-CB 3.49Å; L283-A287 PolarHBondContact O-N 2.97Å; A287-N291 WeakPolarHBondContact O-CB 3.44Å; A287-N291 PolarHBondContact O-ND2 2.99Å
288A97.7Very high96.7Very high0 Ų054.6 Ų54.60%031%0.311CS..Iπ-helixtrans-78.9-64.8-173.200000112.2I182 V277 L283 N291 L292I182-A288 HydrophobicContact CD1-CB 4Å; I182-A288 HydrophobicContact CG2-CB 4.42Å; V277-A288 HydrophobicContact CG1-CB 3.83Å; V277-A288 HydrophobicContact CG2-CB 4.4Å; L283-A288 HydrophobicContact CD2-CB 4.33Å; L283-A288 WeakPolarHBondContact O-CB 3.48Å; L283-A288 PolarHBondContact O-N 3.36Å; A288-N291 PolarHBondContact O-N 3.31Å; A288-L292 WeakPolarHBondContact O-CB 3.26Å; A288-L292 VanDerWaalsContact O-CG 3.26Å; A288-L292 WeakPolarHBondContact O-CG 3.34Å; A288-L292 PolarHBondContact O-N 3.3Å
289H98Very high96.5Very high44 Ų4459.6 Ų59.620%0.20433%0.332CS..Hα-helixtrans-57.6-49.3-173-84.2-99.5000113.6I284 N291 L292 E293 T304I284-H289 VanDerWaalsContact CG2-CD2 3.49Å; I284-H289 WeakPolarHBondContact CG2-CD2 3.46Å; I284-H289 WeakPolarHBondContact O-CB 3.48Å; I284-H289 PolarHBondContact O-CD2 3.14Å; I284-H289 VanDerWaalsContact O-CD2 3.26Å; I284-H289 PolarHBondContact O-N 2.54Å; H289-N291 VanDerWaalsContact C-N 3.34Å; H289-N291 PolarHBondContact O-N 3.16Å; H289-L292 PolarHBondContact O-N 3.01Å; H289-E293 PolarHBondContact O-N 3.09Å; H289-T304 PolarHBondContact NE2-OG1 3.27Å
290P98.2Very high96.4Very high55 Ų5563.5 Ų63.536%0.35735%0.348SS..Hα-helixtrans-63.2-37.7-179.4-24.435.5000113.6Q285 K294Q285-P290 WeakPolarHBondContact O-CD 3.34Å; Q285-P290 VanDerWaalsContact O-CG 3.27Å; Q285-P290 WeakPolarHBondContact O-CG 3.15Å; P290-K294 WeakPolarHBondContact O-CB 3.33Å; P290-K294 PolarHBondContact O-N 3.07Å
291N98.5Very high96.7Very high33 Ų3361.4 Ų61.418%0.17633%0.333CS..Hα-helixtrans-74.2-36.3179.2-74-43.2000111.9V257 A259 I262 A287 A288 H289 K294 L295V257-N291 PolarHBondContact O-ND2 3.06Å; A259-N291 HydrophobicContact CB-CB 4.04Å; I262-N291 HydrophobicContact CD1-CB 3.68Å; A287-N291 WeakPolarHBondContact O-CB 3.44Å; A287-N291 PolarHBondContact O-ND2 2.99Å; A288-N291 PolarHBondContact O-N 3.31Å; H289-N291 VanDerWaalsContact C-N 3.34Å; H289-N291 PolarHBondContact O-N 3.16Å; N291-K294 PolarHBondContact O-N 3.45Å; N291-L295 WeakPolarHBondContact O-CB 3.38Å; N291-L295 WeakPolarHBondContact O-CD1 3.3Å; N291-L295 VanDerWaalsContact O-CG 3.24Å; N291-L295 WeakPolarHBondContact O-CG 3.43Å; N291-L295 PolarHBondContact O-N 3.28Å; N291-L295 VanDerWaalsContact O-N 3.11Å
292L98.6Very high96.9Very high0 Ų058.7 Ų58.70%031%0.314CS..Hα-helixtrans-62.2-45.7171.9-72.1166.6000110.9I182 I262 I275 V277 A288 H289 K294 L295 G296 Y297 I302I182-L292 HydrophobicContact CD1-CD1 4.17Å; I182-L292 HydrophobicContact CD1-CG 4.47Å; I262-L292 HydrophobicContact CD1-CD2 4.38Å; I262-L292 HydrophobicContact CD1-CG 4.24Å; I262-L292 HydrophobicContact CG2-CD2 3.87Å; I275-L292 HydrophobicContact CB-CD2 4.47Å; I275-L292 HydrophobicContact CG1-CD2 4.09Å; I275-L292 HydrophobicContact CG2-CD1 3.83Å; I275-L292 HydrophobicContact CG2-CD2 3.98Å; V277-L292 HydrophobicContact CG2-CD1 4.23Å; A288-L292 WeakPolarHBondContact O-CB 3.26Å; A288-L292 VanDerWaalsContact O-CG 3.26Å; A288-L292 WeakPolarHBondContact O-CG 3.34Å; A288-L292 PolarHBondContact O-N 3.3Å; H289-L292 PolarHBondContact O-N 3.01Å; L292-K294 PolarHBondContact O-N 3.48Å; L292-L295 PolarHBondContact O-N 2.9Å; L292-L295 VanDerWaalsContact O-N 3.15Å; L292-G296 PolarHBondContact O-N 2.87Å; L292-Y297 HydrophobicContact CB-CD2 4.14Å; L292-Y297 HydrophobicContact CB-CG 4.38Å; L292-Y297 HydrophobicContact CD2-CD1 4.31Å; L292-Y297 HydrophobicContact CD2-CD2 3.6Å; L292-Y297 HydrophobicContact CD2-CE1 4.46Å; L292-Y297 HydrophobicContact CD2-CE2 3.75Å; L292-Y297 HydrophobicContact CD2-CG 3.87Å; L292-Y297 VanDerWaalsContact O-CD2 3.27Å; L292-Y297 WeakPolarHBondContact O-CD2 3.47Å; L292-Y297 PolarHBondContact O-N 2.99Å; L292-Y297 VanDerWaalsContact O-N 3.07Å; L292-I302 HydrophobicContact CB-CD1 3.84Å; L292-I302 HydrophobicContact CD1-CD1 3.95Å; L292-I302 HydrophobicContact CD1-CG1 4.24Å; L292-I302 HydrophobicContact CD1-CG2 4.37Å; L292-I302 HydrophobicContact CG-CD1 4.48Å
293E98.1Very high97.2Very high139 Ų13955.6 Ų55.665%0.6529%0.293SS*.Hα-helixtrans-60.3-46.3176.1-176.8175.9-16600111.6H289 L295 G296H289-E293 PolarHBondContact O-N 3.09Å; E293-L295 PolarHBondContact O-N 3.2Å; E293-G296 PolarHBondContact O-N 3.47Å
294K98.1Very high97.2Very high166 Ų16656.2 Ų56.272%0.72230%0.297SS*.Hα-helixtrans-56.7-32.1176.1-176.2-178.1175.7-174.80113A259 P290 N291 L292 G296A259-K294 HydrophobicContact CB-CD 4.5Å; P290-K294 WeakPolarHBondContact O-CB 3.33Å; P290-K294 PolarHBondContact O-N 3.07Å; N291-K294 PolarHBondContact O-N 3.45Å; L292-K294 PolarHBondContact O-N 3.48Å; K294-G296 VanDerWaalsContact C-N 3.35Å
295L98.4Very high97.1Very high47 Ų4758 Ų5825%0.24630%0.303CS..THydrogen-bonded Turntrans-890.6179.6-67.5169.9000113.5A259 I262 K263 N291 L292 E293 Y297A259-L295 HydrophobicContact CB-CD1 4.22Å; A259-L295 HydrophobicContact CB-CD2 4.49Å; A259-L295 HydrophobicContact CB-CG 4.34Å; A259-L295 WeakPolarHBondContact O-CD1 3.3Å; I262-L295 HydrophobicContact CB-CD1 3.76Å; I262-L295 HydrophobicContact CG2-CD1 3.37Å; K263-L295 HydrophobicContact CB-CD1 4.32Å; K263-L295 HydrophobicContact CB-CD2 4.2Å; K263-L295 HydrophobicContact CD-CD2 4.45Å; N291-L295 WeakPolarHBondContact O-CB 3.38Å; N291-L295 WeakPolarHBondContact O-CD1 3.3Å; N291-L295 VanDerWaalsContact O-CG 3.24Å; N291-L295 WeakPolarHBondContact O-CG 3.43Å; N291-L295 PolarHBondContact O-N 3.28Å; N291-L295 VanDerWaalsContact O-N 3.11Å; L292-L295 PolarHBondContact O-N 2.9Å; L292-L295 VanDerWaalsContact O-N 3.15Å; E293-L295 PolarHBondContact O-N 3.2Å; L295-Y297 HydrophobicContact CB-CD2 3.9Å; L295-Y297 HydrophobicContact CB-CE2 3.78Å; L295-Y297 HydrophobicContact CD1-CE2 4.31Å
296G98.3Very high97.2Very high45 Ų4554.1 Ų54.146%0.46429%0.286SS..THydrogen-bonded Turntrans88.516.3174.300000115.2L292 E293 K294L292-G296 PolarHBondContact O-N 2.87Å; E293-G296 PolarHBondContact O-N 3.47Å; K294-G296 VanDerWaalsContact C-N 3.35Å
297Y98.5Very high97.3Very high10 Ų1052.1 Ų52.14%0.03927%0.272CS..  trans-73.8126.9169.5-63.7-95.6000109.6I262 P267 P269 T273 I275 L292 L295 M301I262-Y297 HydrophobicContact CG2-CE2 4.03Å; P267-Y297 WeakPolarHBondContact O-CE1 3.42Å; P267-Y297 PolarHBondContact O-OH 2.81Å; P269-Y297 HydrophobicContact CB-CD1 3.87Å; P269-Y297 HydrophobicContact CB-CD2 4.44Å; P269-Y297 HydrophobicContact CB-CE1 4.1Å; P269-Y297 HydrophobicContact CB-CG 4.07Å; T273-Y297 HydrophobicContact CG2-CE1 4.19Å; I275-Y297 HydrophobicContact CD1-CD1 4.2Å; I275-Y297 HydrophobicContact CD1-CE1 3.67Å; I275-Y297 HydrophobicContact CG1-CD1 3.6Å; I275-Y297 HydrophobicContact CG1-CE1 3.62Å; I275-Y297 HydrophobicContact CG1-CG 4.46Å; L292-Y297 HydrophobicContact CB-CD2 4.14Å; L292-Y297 HydrophobicContact CB-CG 4.38Å; L292-Y297 HydrophobicContact CD2-CD1 4.31Å; L292-Y297 HydrophobicContact CD2-CD2 3.6Å; L292-Y297 HydrophobicContact CD2-CE1 4.46Å; L292-Y297 HydrophobicContact CD2-CE2 3.75Å; L292-Y297 HydrophobicContact CD2-CG 3.87Å; L292-Y297 VanDerWaalsContact O-CD2 3.27Å; L292-Y297 WeakPolarHBondContact O-CD2 3.47Å; L292-Y297 PolarHBondContact O-N 2.99Å; L292-Y297 VanDerWaalsContact O-N 3.07Å; L295-Y297 HydrophobicContact CB-CD2 3.9Å; L295-Y297 HydrophobicContact CB-CE2 3.78Å; L295-Y297 HydrophobicContact CD1-CE2 4.31Å; Y297-M301 HydrophobicContact CD1-SD 4.39Å
298T97.2Very high97.4Very high64 Ų6454.6 Ų54.639%0.39328%0.284SS..  trans-83.6160.9177.154.30000111.2D300 M301T298-D300 VanDerWaalsContact CB-OD1 3.24Å; T298-D300 WeakPolarHBondContact CB-OD1 3.28Å; T298-D300 PolarHBondContact O-N 3.39Å; T298-D300 PolarHBondContact OG1-OD1 2.68Å; T298-M301 WeakPolarHBondContact O-CA 3.32Å; T298-M301 WeakPolarHBondContact O-CB 3.5Å; T298-M301 PolarHBondContact O-N 3.43Å; T298-M301 WeakPolarHBondContact OG1-CE 3.33Å; T298-M301 WeakPolarHBondContact OG1-CG 3.31Å
299Q94.3Very high97.4Very high129 Ų12957.8 Ų57.860%0.60330%0.3SS*.G310 helixtrans-58.2-32.1-178.4-69.9-64.2-4100113.4M301 I302Q299-M301 PolarHBondContact O-N 3.18Å; Q299-I302 PolarHBondContact O-N 2.61Å
300D94.4Very high97.4Very high101 Ų10158.7 Ų58.754%0.5431%0.306SS..G310 helixtrans-75.1-8.2176.572.9-71.8000113.9K174 T298K174-D300 PolarHBondContact NZ-O 2.92Å; K174-D300 IonicContact NZ-OD2 2.71Å; K174-D300 PolarHBondContact NZ-OD2 2.83Å; K174-D300 VanDerWaalsContact NZ-OD2 3.15Å; T298-D300 VanDerWaalsContact CB-OD1 3.24Å; T298-D300 WeakPolarHBondContact CB-OD1 3.28Å; T298-D300 PolarHBondContact O-N 3.39Å; T298-D300 PolarHBondContact OG1-OD1 2.68Å
301M97.4Very high97.3Very high24 Ų2458.9 Ų58.912%0.11830%0.303CS..G310 helixtrans-93.5-4.6171-60.7176.9-172.400112P269 L274 I275 Y297 T298 Q299P269-M301 HydrophobicContact CB-SD 3.97Å; L274-M301 CarbonylContact C-O 3.5Å; I275-M301 PolarHBondContact N-O 2.93Å; Y297-M301 HydrophobicContact CD1-SD 4.39Å; T298-M301 WeakPolarHBondContact O-CA 3.32Å; T298-M301 WeakPolarHBondContact O-CB 3.5Å; T298-M301 PolarHBondContact O-N 3.43Å; T298-M301 WeakPolarHBondContact OG1-CE 3.33Å; T298-M301 WeakPolarHBondContact OG1-CG 3.31Å; Q299-M301 PolarHBondContact O-N 3.18Å
302I97.9Very high97.2Very high21 Ų2160.8 Ų60.811%0.10831%0.312CS..EExtended strand (participates in β ladder)trans-119.8126.2-174.2-55.1170.2000109.7I275 V277 L292 Q299I275-I302 HydrophobicContact CB-CG1 4.48Å; I275-I302 CarbonylContact O-C 3.43Å; I275-I302 WeakPolarHBondContact O-CA 3.27Å; V277-I302 HydrophobicContact CG2-CG2 4.24Å; L292-I302 HydrophobicContact CB-CD1 3.84Å; L292-I302 HydrophobicContact CD1-CD1 3.95Å; L292-I302 HydrophobicContact CD1-CG1 4.24Å; L292-I302 HydrophobicContact CD1-CG2 4.37Å; L292-I302 HydrophobicContact CG-CD1 4.48Å; Q299-I302 PolarHBondContact O-N 2.61Å
303F98Very high97.1Very high8 Ų865.5 Ų65.54%0.03534%0.336CS..EExtended strand (participates in β ladder)trans-119.1122.3170.6-177.7-90.5000109.7R152 L153 I163 L274 I275 L276 V277 Y305R152-F303 HydrophobicContact CB-CE2 3.8Å; R152-F303 HydrophobicContact CB-CZ 3.99Å; L153-F303 HydrophobicContact CB-CD1 4.3Å; L153-F303 HydrophobicContact CB-CE1 3.78Å; L153-F303 HydrophobicContact CB-CE2 4.01Å; L153-F303 HydrophobicContact CB-CZ 3.63Å; L153-F303 HydrophobicContact CD1-CB 4.5Å; L153-F303 HydrophobicContact CD1-CD1 3.72Å; L153-F303 HydrophobicContact CD1-CD2 4.47Å; L153-F303 HydrophobicContact CD1-CE1 4.03Å; L153-F303 HydrophobicContact CD1-CG 3.97Å; I163-F303 HydrophobicContact CG2-CD2 3.81Å; I163-F303 HydrophobicContact CG2-CE2 4.04Å; L274-F303 HydrophobicContact CD1-CB 4.35Å; I275-F303 PolarHBondContact O-N 2.91Å; L276-F303 CarbonylContact C-O 3.57Å; L276-F303 WeakPolarHBondContact CA-O 3.31Å; L276-F303 HydrophobicContact CD2-CB 3.88Å; L276-F303 HydrophobicContact CD2-CD1 4.2Å; L276-F303 HydrophobicContact CD2-CG 4.41Å; V277-F303 PolarHBondContact N-O 2.81Å; F303-Y305 HydrophobicContact CD1-CD2 4.06Å; F303-Y305 HydrophobicContact CD1-CE2 4.04Å; F303-Y305 HydrophobicContact CD1-CG 4.43Å; F303-Y305 AromaticContact CE1-CD1 3.88Å; F303-Y305 HydrophobicContact CE1-CD1 3.88Å; F303-Y305 AromaticContact CE1-CD2 3.97Å; F303-Y305 HydrophobicContact CE1-CD2 3.97Å; F303-Y305 AromaticContact CE1-CE1 3.97Å; F303-Y305 HydrophobicContact CE1-CE1 3.97Å; F303-Y305 HydrophobicContact CE1-CE2 4.06Å; F303-Y305 AromaticContact CE1-CG 3.89Å; F303-Y305 HydrophobicContact CE1-CG 3.89Å
304T97.4Very high97.1Very high32 Ų3259.3 Ų59.320%0.19631%0.31CS..EExtended strand (participates in β ladder)trans-105.5128.6171.8-55.20000109.5R152 V277 I284 H289R152-T304 PolarHBondContact NH2-O 2.72Å; V277-T304 WeakPolarHBondContact O-CA 3.44Å; I284-T304 HydrophobicContact CD1-CG2 3.81Å; I284-T304 HydrophobicContact CG1-CG2 4.37Å; I284-T304 HydrophobicContact CG2-CG2 3.88Å; H289-T304 PolarHBondContact NE2-OG1 3.27Å
305Y94.8Very high97Very high65 Ų6549.6 Ų49.626%0.25527%0.272SS..  trans-69.40176.7-79.8-88.2000112.8P190 M191 L194 L276 V277 C278 F303P190-Y305 HydrophobicContact CB-CD1 3.71Å; P190-Y305 HydrophobicContact CB-CD2 4.03Å; P190-Y305 HydrophobicContact CB-CE1 3.52Å; P190-Y305 HydrophobicContact CB-CE2 3.84Å; P190-Y305 HydrophobicContact CB-CG 3.96Å; P190-Y305 HydrophobicContact CG-CD1 4.11Å; P190-Y305 HydrophobicContact CG-CE1 4.4Å; P190-Y305 HydrophobicContact CG-CG 4.16Å; M191-Y305 HydrophobicContact CE-CD2 4.09Å; M191-Y305 HydrophobicContact CE-CE2 4.07Å; M191-Y305 HydrophobicContact SD-CE2 4.17Å; L194-Y305 VanDerWaalsContact CD1-OH 3.32Å; L194-Y305 WeakPolarHBondContact CD1-OH 3.41Å; L276-Y305 HydrophobicContact CB-CE2 4.24Å; V277-Y305 PolarHBondContact O-N 2.99Å; C278-Y305 HydrophobicContact CB-CD2 4.04Å; C278-Y305 HydrophobicContact CB-CG 4.32Å; F303-Y305 HydrophobicContact CD1-CD2 4.06Å; F303-Y305 HydrophobicContact CD1-CE2 4.04Å; F303-Y305 HydrophobicContact CD1-CG 4.43Å; F303-Y305 AromaticContact CE1-CD1 3.88Å; F303-Y305 HydrophobicContact CE1-CD1 3.88Å; F303-Y305 AromaticContact CE1-CD2 3.97Å; F303-Y305 HydrophobicContact CE1-CD2 3.97Å; F303-Y305 AromaticContact CE1-CE1 3.97Å; F303-Y305 HydrophobicContact CE1-CE1 3.97Å; F303-Y305 HydrophobicContact CE1-CE2 4.06Å; F303-Y305 AromaticContact CE1-CG 3.89Å; F303-Y305 HydrophobicContact CE1-CG 3.89Å

Retrieved 305 of 305 residues in 667.4 ms (Link to these results)

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