A0A060WGZ9_ONCMY Loading...

Proteasome subunit alpha type

AlphaFold DB (A0A4W5NZM2), UniProt , Accession A0A060WGZ9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 255 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
1M46.8Very low72.1Confident196 Ų19687.1 Ų87.197%0.96653%0.528SS*.  0116.80-78.1-167.6-80.300108S3M1-S3 VanDerWaalsContact C-N 3.31Å; M1-S3 PolarHBondContact O-N 3.3Å
2S46.7Very low74.2Confident69 Ų6980.5 Ų80.548%0.48349%0.489SS..  trans-70.292.3169.750.90000108I4S2-I4 VanDerWaalsContact C-N 3.3Å; S2-I4 PolarHBondContact O-N 3.22Å
3S48.8Very low76Confident118 Ų11879.1 Ų79.183%0.82549%0.485SS*.  trans-6588.8173.9166.60000109M1M1-S3 VanDerWaalsContact C-N 3.31Å; M1-S3 PolarHBondContact O-N 3.3Å
4I55.1Low77.4Confident102 Ų10276.6 Ų76.652%0.52347%0.47SS..  trans-114.287.5171.1-53.8-179.1000107.3S2 T6S2-I4 VanDerWaalsContact C-N 3.3Å; S2-I4 PolarHBondContact O-N 3.22Å; I4-T6 HydrophobicContact CG2-CG2 3.3Å; I4-T6 VanDerWaalsContact CG2-OG1 3.28Å; I4-T6 WeakPolarHBondContact CG2-OG1 3.41Å; I4-T6 PolarHBondContact O-N 3Å; I4-T6 PolarHBondContact O-OG1 3.07Å
5G59.6Low78.8Confident72 Ų7281.1 Ų81.174%0.74248%0.481SS*.  trans-67.466.1167.600000111.4
6T71.9Confident79.8Confident86 Ų8676.6 Ų76.653%0.52846%0.455SS..SBendtrans-99.18.3176.637.50000112.2I4 Y8I4-T6 HydrophobicContact CG2-CG2 3.3Å; I4-T6 VanDerWaalsContact CG2-OG1 3.28Å; I4-T6 WeakPolarHBondContact CG2-OG1 3.41Å; I4-T6 PolarHBondContact O-N 3Å; I4-T6 PolarHBondContact O-OG1 3.07Å; T6-Y8 WeakPolarHBondContact OG1-CD2 3.24Å; T6-Y8 WeakPolarHBondContact OG1-CE2 3.25Å
7G86.6Confident80.6Confident34 Ų3478.1 Ų78.135%0.35147%0.467SS..SBendtrans89.8-6.5179.200000115D9G7-D9 PolarHBondContact O-N 3.27Å
8Y93.1Very high81.4Confident92 Ų9280.4 Ų80.436%0.36148%0.477SS..THydrogen-bonded Turntrans-73.4-6.1178.2-59.3-69.5000114.3T6 T14 F15 P17T6-Y8 WeakPolarHBondContact OG1-CD2 3.24Å; T6-Y8 WeakPolarHBondContact OG1-CE2 3.25Å; Y8-T14 HydrophobicContact CD1-CG2 3.88Å; Y8-F15 WeakPolarHBondContact CD1-O 3.47Å; Y8-P17 HydrophobicContact CD2-CG 4.25Å; Y8-P17 HydrophobicContact CE2-CG 3.82Å
9D94Very high82.1Confident30 Ų3079.1 Ų79.116%0.1648%0.481CS..THydrogen-bonded Turntrans-107.34.6-176.869.4-32.5000113.6G7 F22 Q23 Y26G7-D9 PolarHBondContact O-N 3.27Å; D9-F22 HydrophobicContact CB-CB 3.62Å; D9-F22 HydrophobicContact CB-CD2 3.92Å; D9-F22 HydrophobicContact CB-CG 4.02Å; D9-Q23 PolarHBondContact O-NE2 3.06Å; D9-Y26 HydrophobicContact CB-CE2 3.83Å; D9-Y26 WeakPolarHBondContact CB-OH 3.08Å; D9-Y26 PolarHBondContact OD2-OH 2.89Å
10L94.6Very high82.8Confident140 Ų14079.3 Ų79.373%0.73347%0.473SS*.SBendtrans-85.6-10.6-177.7-59.7179.5000113.9
11S96.3Very high83.5Confident19 Ų1977 Ų7713%0.13346%0.459CS..  trans-148.3146.9-175.3-165.40000112.8S13 S127S11-S13 VanDerWaalsContact C-N 3.27Å; S11-S13 PolarHBondContact OG-N 2.71Å; S11-S13 PolarHBondContact OG-OG 3.3Å; S11-S13 VanDerWaalsContact OG-OG 3.14Å; S11-S127 WeakPolarHBondContact OG-CA 3.49Å; S11-S127 WeakPolarHBondContact OG-CB 3.32Å
12A96.7Very high85.9Confident8 Ų868.8 Ų68.87%0.06642%0.418CS..THydrogen-bonded Turntrans-73.1-21.8173.300000112.3T14 V21 Q23 T124 P131A12-T14 VanDerWaalsContact C-N 3.25Å; A12-T14 PolarHBondContact O-N 3.09Å; A12-V21 WeakPolarHBondContact O-CG1 3.26Å; A12-Q23 HydrophobicContact CB-CB 4.2Å; A12-T124 WeakPolarHBondContact CB-O 3.45Å; A12-P131 HydrophobicContact CB-CG 4.37Å
13S97.3Very high88.4Confident62 Ų6267.9 Ų67.943%0.43441%0.406SS..THydrogen-bonded Turntrans-84.78.3177.365.50000114S11 L125S11-S13 VanDerWaalsContact C-N 3.27Å; S11-S13 PolarHBondContact OG-N 2.71Å; S11-S13 PolarHBondContact OG-OG 3.3Å; S11-S13 VanDerWaalsContact OG-OG 3.14Å; S13-L125 WeakPolarHBondContact CB-O 3.4Å
14T96.8Very high90.7Very high45 Ų4563 Ų6328%0.27637%0.371SS..  trans-117.9121.8-176.3-59.30000110Y8 A12Y8-T14 HydrophobicContact CD1-CG2 3.88Å; A12-T14 VanDerWaalsContact C-N 3.25Å; A12-T14 PolarHBondContact O-N 3.09Å
15F97.1Very high92.7Very high144 Ų14460.9 Ų60.963%0.63236%0.359SS*.  trans-83142.9170.3-75.4-81.3000111Y8 V21Y8-F15 WeakPolarHBondContact CD1-O 3.47Å; F15-V21 HydrophobicContact CD1-CG2 3.84Å; F15-V21 HydrophobicContact CE1-CG2 3.62Å; F15-V21 HydrophobicContact CZ-CG2 4.24Å
16S94.8Very high94.6Very high9 Ų962 Ų626%0.06334%0.341CS..  trans-74.7163.1166.379.20000111.5D18 G19 R20 F22S16-D18 PolarHBondContact O-N 3.36Å; S16-D18 VanDerWaalsContact O-N 3.1Å; S16-D18 PolarHBondContact OG-N 3.03Å; S16-G19 PolarHBondContact O-N 3.44Å; S16-R20 PolarHBondContact N-O 3.36Å; S16-R20 WeakPolarHBondContact OG-CB 3.43Å; S16-R20 PolarHBondContact OG-N 3.5Å; S16-R20 VanDerWaalsContact OG-N 3.08Å; S16-F22 VanDerWaalsContact CB-CE2 3.42Å
17P94.7Very high95.8Very high102 Ų10258.3 Ų58.366%0.66232%0.32SS*.THydrogen-bonded Turntrans-55.4-25.1172.5-27.736.3000114.3Y8 G19Y8-P17 HydrophobicContact CD2-CG 4.25Å; Y8-P17 HydrophobicContact CE2-CG 3.82Å; P17-G19 VanDerWaalsContact C-N 3.34Å
18D94.4Very high96.4Very high120 Ų12059.5 Ų59.564%0.64232%0.317SS*.THydrogen-bonded Turntrans-917.7178.5-54.6-35.1000113S16 R20S16-D18 PolarHBondContact O-N 3.36Å; S16-D18 VanDerWaalsContact O-N 3.1Å; S16-D18 PolarHBondContact OG-N 3.03Å; D18-R20 HydrophobicContact CB-CG 4.43Å
19G95.2Very high96.6Very high54 Ų5459 Ų5956%0.55732%0.317SS*.SBendtrans78.125.517800000114.8S16 P17S16-G19 PolarHBondContact O-N 3.44Å; P17-G19 VanDerWaalsContact C-N 3.34Å
20R96.1Very high96.8Very high84 Ų8459.6 Ų59.632%0.31733%0.326SS..  trans-108.1154.8-176.3-57.1166.665.2-170.37.3111.6S16 D18 E25S16-R20 PolarHBondContact N-O 3.36Å; S16-R20 WeakPolarHBondContact OG-CB 3.43Å; S16-R20 PolarHBondContact OG-N 3.5Å; S16-R20 VanDerWaalsContact OG-N 3.08Å; D18-R20 HydrophobicContact CB-CG 4.43Å; R20-E25 IonicContact CZ-OE1 3.11Å; R20-E25 IonicContact CZ-OE2 3.33Å; R20-E25 IonicContact NE-OE1 2.7Å; R20-E25 PolarHBondContact NE-OE1 3.3Å; R20-E25 IonicContact NE-OE2 3.66Å; R20-E25 IonicContact NH2-OE1 2.76Å; R20-E25 PolarHBondContact NH2-OE1 2.82Å; R20-E25 IonicContact NH2-OE2 2.59Å; R20-E25 PolarHBondContact NH2-OE2 2.83Å
21V97.1Very high97Very high30 Ų3053.3 Ų53.318%0.18229%0.293CS..  trans-113.994.6172.2-175.50000108.9A12 F15 Q23 V24 E25A12-V21 WeakPolarHBondContact O-CG1 3.26Å; F15-V21 HydrophobicContact CD1-CG2 3.84Å; F15-V21 HydrophobicContact CE1-CG2 3.62Å; F15-V21 HydrophobicContact CZ-CG2 4.24Å; V21-Q23 VanDerWaalsContact C-N 3.29Å; V21-Q23 PolarHBondContact O-N 2.88Å; V21-V24 HydrophobicContact CB-CG2 4.32Å; V21-V24 HydrophobicContact CG1-CG2 3.94Å; V21-V24 PolarHBondContact O-N 2.8Å; V21-V24 VanDerWaalsContact O-N 3.13Å; V21-E25 PolarHBondContact O-N 3.23Å
22F97.3Very high97Very high24 Ų2455.3 Ų55.311%0.10530%0.3CS..Hα-helixtrans-62.9-30.7-171.1-73.4-64.8000114.1D9 S16 V24 E25 Y26D9-F22 HydrophobicContact CB-CB 3.62Å; D9-F22 HydrophobicContact CB-CD2 3.92Å; D9-F22 HydrophobicContact CB-CG 4.02Å; S16-F22 VanDerWaalsContact CB-CE2 3.42Å; F22-V24 PolarHBondContact O-N 2.78Å; F22-E25 VanDerWaalsContact CD1-OE2 3.32Å; F22-E25 WeakPolarHBondContact CD1-OE2 3.24Å; F22-E25 WeakPolarHBondContact O-CB 3.11Å; F22-E25 PolarHBondContact O-N 3.22Å; F22-E25 VanDerWaalsContact O-N 3.09Å; F22-Y26 HydrophobicContact CB-CE1 4.4Å; F22-Y26 HydrophobicContact CB-CE2 4.34Å; F22-Y26 WeakPolarHBondContact O-CD1 3.23Å; F22-Y26 VanDerWaalsContact O-CG 3.23Å; F22-Y26 PolarHBondContact O-N 2.78Å
23Q98.1Very high97Very high50 Ų5060.6 Ų60.623%0.23433%0.328CS..Hα-helixtrans-59.7-34.4176.5-78.1-66.8-52.200112.7D9 A12 V21 A27 P131D9-Q23 PolarHBondContact O-NE2 3.06Å; A12-Q23 HydrophobicContact CB-CB 4.2Å; V21-Q23 VanDerWaalsContact C-N 3.29Å; V21-Q23 PolarHBondContact O-N 2.88Å; Q23-A27 PolarHBondContact O-N 2.61Å; Q23-A27 VanDerWaalsContact O-N 3.13Å; Q23-P131 HydrophobicContact CB-CG 4.18Å
24V98.3Very high97Very high16 Ų1658.7 Ų58.710%0.09731%0.314CS..Hα-helixtrans-71-41.1175.1178.20000110.5V21 F22 Y26 A27 M28 T124 P131V21-V24 HydrophobicContact CB-CG2 4.32Å; V21-V24 HydrophobicContact CG1-CG2 3.94Å; V21-V24 PolarHBondContact O-N 2.8Å; V21-V24 VanDerWaalsContact O-N 3.13Å; F22-V24 PolarHBondContact O-N 2.78Å; V24-Y26 VanDerWaalsContact C-N 3.33Å; V24-Y26 PolarHBondContact O-N 2.81Å; V24-A27 WeakPolarHBondContact O-CB 3.19Å; V24-A27 PolarHBondContact O-N 3.14Å; V24-M28 HydrophobicContact CG1-CE 4.06Å; V24-M28 WeakPolarHBondContact O-CG 3.42Å; V24-M28 PolarHBondContact O-N 3.4Å; V24-T124 HydrophobicContact CG2-CG2 3.88Å; V24-P131 HydrophobicContact CG2-CG 4Å
25E97.8Very high97Very high58 Ų5857.1 Ų57.127%0.27131%0.305SS..Hα-helixtrans-65.4-36.8177.4-58.6-175.1168.300112.5R20 V21 F22 M28 K29R20-E25 IonicContact CZ-OE1 3.11Å; R20-E25 IonicContact CZ-OE2 3.33Å; R20-E25 IonicContact NE-OE1 2.7Å; R20-E25 PolarHBondContact NE-OE1 3.3Å; R20-E25 IonicContact NE-OE2 3.66Å; R20-E25 IonicContact NH2-OE1 2.76Å; R20-E25 PolarHBondContact NH2-OE1 2.82Å; R20-E25 IonicContact NH2-OE2 2.59Å; R20-E25 PolarHBondContact NH2-OE2 2.83Å; V21-E25 PolarHBondContact O-N 3.23Å; F22-E25 VanDerWaalsContact CD1-OE2 3.32Å; F22-E25 WeakPolarHBondContact CD1-OE2 3.24Å; F22-E25 WeakPolarHBondContact O-CB 3.11Å; F22-E25 PolarHBondContact O-N 3.22Å; F22-E25 VanDerWaalsContact O-N 3.09Å; E25-M28 WeakPolarHBondContact O-CB 3.5Å; E25-M28 PolarHBondContact O-N 2.79Å; E25-K29 PolarHBondContact O-N 2.86Å
26Y98Very high97.1Very high94 Ų9450.3 Ų50.337%0.36928%0.275SS..Hα-helixtrans-65.8-40.1174-63.8-14.2000111.4D9 F22 V24 K29 A30D9-Y26 HydrophobicContact CB-CE2 3.83Å; D9-Y26 WeakPolarHBondContact CB-OH 3.08Å; D9-Y26 PolarHBondContact OD2-OH 2.89Å; F22-Y26 HydrophobicContact CB-CE1 4.4Å; F22-Y26 HydrophobicContact CB-CE2 4.34Å; F22-Y26 WeakPolarHBondContact O-CD1 3.23Å; F22-Y26 VanDerWaalsContact O-CG 3.23Å; F22-Y26 PolarHBondContact O-N 2.78Å; V24-Y26 VanDerWaalsContact C-N 3.33Å; V24-Y26 PolarHBondContact O-N 2.81Å; Y26-K29 WeakPolarHBondContact O-CB 3.5Å; Y26-K29 PolarHBondContact O-N 3.02Å; Y26-A30 PolarHBondContact O-N 3.27Å
27A98.4Very high97.3Very high10 Ų1049.9 Ų49.98%0.08327%0.272CS..Hα-helixtrans-62.9-42.2172.700000111.8Q23 V24 K29 A30 V31 P131 P154Q23-A27 PolarHBondContact O-N 2.61Å; Q23-A27 VanDerWaalsContact O-N 3.13Å; V24-A27 WeakPolarHBondContact O-CB 3.19Å; V24-A27 PolarHBondContact O-N 3.14Å; A27-K29 VanDerWaalsContact C-N 3.3Å; A27-K29 PolarHBondContact O-N 3.18Å; A27-A30 WeakPolarHBondContact O-CB 3.43Å; A27-A30 PolarHBondContact O-N 3.32Å; A27-A30 VanDerWaalsContact O-N 3.14Å; A27-V31 PolarHBondContact O-N 3.22Å; A27-P131 HydrophobicContact CB-CB 4.02Å; A27-P154 HydrophobicContact CB-CB 3.8Å; A27-P154 HydrophobicContact CB-CG 4.21Å
28M98.1Very high97.5Very high58 Ų5845 Ų4529%0.28624%0.241SC..Hα-helixtrans-60.7-39172.1-70.8178.5174.200111.8V24 E25 A30 V31 E32 D153 P154V24-M28 HydrophobicContact CG1-CE 4.06Å; V24-M28 WeakPolarHBondContact O-CG 3.42Å; V24-M28 PolarHBondContact O-N 3.4Å; E25-M28 WeakPolarHBondContact O-CB 3.5Å; E25-M28 PolarHBondContact O-N 2.79Å; M28-A30 VanDerWaalsContact C-N 3.29Å; M28-A30 PolarHBondContact O-N 2.76Å; M28-V31 VanDerWaalsContact O-CB 3.31Å; M28-V31 WeakPolarHBondContact O-CB 3.35Å; M28-V31 PolarHBondContact O-N 3.33Å; M28-V31 VanDerWaalsContact O-N 3.09Å; M28-E32 WeakPolarHBondContact O-CG 3.41Å; M28-E32 PolarHBondContact O-N 3.04Å; M28-D153 HydrophobicContact CE-CB 4.39Å; M28-D153 WeakPolarHBondContact CE-OD2 3.32Å; M28-P154 HydrophobicContact CG-CB 4.25Å; M28-P154 HydrophobicContact CG-CG 4.07Å
29K98Very high97.7Very high83 Ų8339.3 Ų39.336%0.36121%0.21SC..Hα-helixtrans-63.3-35.1175.1-165.472-149.4162.40112.3E25 Y26 A27 V31 E32 N33E25-K29 PolarHBondContact O-N 2.86Å; Y26-K29 WeakPolarHBondContact O-CB 3.5Å; Y26-K29 PolarHBondContact O-N 3.02Å; A27-K29 VanDerWaalsContact C-N 3.3Å; A27-K29 PolarHBondContact O-N 3.18Å; K29-V31 VanDerWaalsContact C-N 3.3Å; K29-V31 PolarHBondContact O-N 3.05Å; K29-E32 WeakPolarHBondContact CD-OE2 3.27Å; K29-E32 IonicContact NZ-OE2 2.74Å; K29-E32 PolarHBondContact NZ-OE2 3.35Å; K29-E32 PolarHBondContact O-N 3.17Å; K29-N33 VanDerWaalsContact O-CG 3.3Å; K29-N33 PolarHBondContact O-N 2.94Å; K29-N33 VanDerWaalsContact O-N 3.12Å; K29-N33 PolarHBondContact O-ND2 3.15Å
30A97.6Very high97.9Very high42 Ų4236.7 Ų36.735%0.34718%0.184SC..Hα-helixtrans-63.6-35.9173.100000112.2Y26 A27 M28 N33Y26-A30 PolarHBondContact O-N 3.27Å; A27-A30 WeakPolarHBondContact O-CB 3.43Å; A27-A30 PolarHBondContact O-N 3.32Å; A27-A30 VanDerWaalsContact O-N 3.14Å; M28-A30 VanDerWaalsContact C-N 3.29Å; M28-A30 PolarHBondContact O-N 2.76Å; A30-N33 PolarHBondContact O-N 2.69Å
31V98.4Very high98Very high7 Ų735.7 Ų35.74%0.04218%0.18CC..Hα-helixtrans-63.2-46.3171.5-177.90000110.9A27 M28 K29 N33 S34 A79 P154 G167A27-V31 PolarHBondContact O-N 3.22Å; M28-V31 VanDerWaalsContact O-CB 3.31Å; M28-V31 WeakPolarHBondContact O-CB 3.35Å; M28-V31 PolarHBondContact O-N 3.33Å; M28-V31 VanDerWaalsContact O-N 3.09Å; K29-V31 VanDerWaalsContact C-N 3.3Å; K29-V31 PolarHBondContact O-N 3.05Å; V31-N33 PolarHBondContact O-N 3.5Å; V31-S34 VanDerWaalsContact O-CB 3.28Å; V31-S34 WeakPolarHBondContact O-CB 3.3Å; V31-S34 PolarHBondContact O-N 2.89Å; V31-A79 HydrophobicContact CG1-CB 4.18Å; V31-P154 HydrophobicContact CG2-CG 3.91Å; V31-G167 WeakPolarHBondContact O-CA 3.37Å
32E96.9Very high98.1Very high61 Ų6134.2 Ų34.229%0.28517%0.171SC..Hα-helixtrans-63.7-19.3179.3-67.1-176.1164.600113.8M28 K29 K168 K170M28-E32 WeakPolarHBondContact O-CG 3.41Å; M28-E32 PolarHBondContact O-N 3.04Å; K29-E32 WeakPolarHBondContact CD-OE2 3.27Å; K29-E32 IonicContact NZ-OE2 2.74Å; K29-E32 PolarHBondContact NZ-OE2 3.35Å; K29-E32 PolarHBondContact O-N 3.17Å; E32-K168 WeakPolarHBondContact O-CA 3.47Å; E32-K168 VanDerWaalsContact O-CB 3.27Å; E32-K168 WeakPolarHBondContact O-CB 3.06Å; E32-K168 PolarHBondContact O-N 3.35Å; E32-K170 IonicContact OE1-NZ 2.69Å; E32-K170 PolarHBondContact OE1-NZ 3.25Å
33N96.3Very high98.1Very high120 Ų12038.5 Ų38.564%0.64219%0.19SC*.THydrogen-bonded Turntrans-88.9-5.6175.1-65.1-18000112.9K29 A30 V31K29-N33 VanDerWaalsContact O-CG 3.3Å; K29-N33 PolarHBondContact O-N 2.94Å; K29-N33 VanDerWaalsContact O-N 3.12Å; K29-N33 PolarHBondContact O-ND2 3.15Å; A30-N33 PolarHBondContact O-N 2.69Å; V31-N33 PolarHBondContact O-N 3.5Å
34S97.6Very high98.1Very high21 Ų2137.2 Ų37.215%0.14718%0.184CC..SBendtrans-86.2151.4177.3-165.20000111.2V31 G80 G167 K168V31-S34 VanDerWaalsContact O-CB 3.28Å; V31-S34 WeakPolarHBondContact O-CB 3.3Å; V31-S34 PolarHBondContact O-N 2.89Å; S34-G80 PolarHBondContact OG-N 2.77Å; S34-G167 CarbonylContact O-C 3.48Å; S34-G167 WeakPolarHBondContact O-CA 3.48Å; S34-K168 PolarHBondContact O-N 3.01Å
35S97.6Very high98.1Very high13 Ų1336.5 Ų36.59%0.09118%0.18CC..PPolyproline II helixtrans-65.6159.1175.858.60000111.9E51 R66S35-E51 VanDerWaalsContact CB-O 3.27Å; S35-E51 WeakPolarHBondContact CB-O 3.25Å; S35-E51 WeakPolarHBondContact CB-OE2 3.43Å; S35-E51 PolarHBondContact OG-O 3.5Å; S35-R66 PolarHBondContact O-NH1 2.95Å; S35-R66 VanDerWaalsContact O-NH1 3.1Å; S35-R66 PolarHBondContact O-NH2 3.01Å; S35-R66 PolarHBondContact OG-NH1 2.93Å
36T98.6Very high98.2Very high0 Ų033.7 Ų33.70%017%0.167CC..PPolyproline II helixtrans-75.6141-161.6-520000111.9I38 E51 I166 A169 A173 V201T36-I38 HydrophobicContact CG2-CG2 4.1Å; T36-E51 PolarHBondContact N-OE2 3.45Å; T36-E51 WeakPolarHBondContact O-CB 3.18Å; T36-E51 PolarHBondContact O-N 3.5Å; T36-E51 PolarHBondContact OG1-OE2 2.84Å; T36-I166 WeakPolarHBondContact CA-O 3.4Å; T36-A169 HydrophobicContact CG2-CB 4.45Å; T36-A169 VanDerWaalsContact OG1-CB 3.29Å; T36-A169 WeakPolarHBondContact OG1-CB 3.35Å; T36-A169 PolarHBondContact OG1-N 3.08Å; T36-A169 VanDerWaalsContact OG1-N 3.16Å; T36-A173 HydrophobicContact CG2-CB 4.24Å; T36-V201 HydrophobicContact CG2-CG2 4.32Å
37A98.8Very high98.2Very high0 Ų029.2 Ų29.20%015%0.149CC..EExtended strand (participates in β ladder)trans-129.8136.9168.300000109G49 V50 A165 I166A37-G49 CarbonylContact C-O 3.48Å; A37-G49 WeakPolarHBondContact CA-O 3.27Å; A37-V50 HydrophobicContact CB-CB 4.46Å; A37-V50 HydrophobicContact CB-CG1 4.27Å; A37-V50 HydrophobicContact CB-CG2 3.84Å; A37-A165 WeakPolarHBondContact O-CA 3.41Å; A37-I166 HydrophobicContact CB-CD1 4.39Å; A37-I166 HydrophobicContact CB-CG1 3.96Å; A37-I166 PolarHBondContact N-O 2.97Å; A37-I166 PolarHBondContact O-N 2.61Å
38I98.9Very high98.2Very high0 Ų028.8 Ų28.80%015%0.145CC..EExtended strand (participates in β ladder)trans-125.7151.2179.971.7-178.6000110.6T36 I40 F48 G49 C164 A165 A173 I177 V194 I197 I198T36-I38 HydrophobicContact CG2-CG2 4.1Å; I38-I40 HydrophobicContact CD1-CD1 4.45Å; I38-F48 WeakPolarHBondContact O-CA 3.37Å; I38-G49 PolarHBondContact N-O 3.25Å; I38-G49 PolarHBondContact O-N 3.37Å; I38-C164 CarbonylContact C-O 3.54Å; I38-C164 VanDerWaalsContact CA-O 3.29Å; I38-C164 WeakPolarHBondContact CA-O 3.37Å; I38-A165 HydrophobicContact CG2-CB 3.75Å; I38-A173 HydrophobicContact CG2-CB 3.94Å; I38-I177 HydrophobicContact CB-CD1 4.37Å; I38-I177 HydrophobicContact CG2-CD1 4.42Å; I38-V194 HydrophobicContact CD1-CB 4.4Å; I38-V194 HydrophobicContact CD1-CG1 3.98Å; I38-V194 HydrophobicContact CD1-CG2 4.42Å; I38-V194 HydrophobicContact CG1-CG1 4.1Å; I38-I197 HydrophobicContact CD1-CB 3.97Å; I38-I197 HydrophobicContact CD1-CG2 3.76Å; I38-I198 HydrophobicContact CD1-CD1 4.06Å; I38-I198 HydrophobicContact CD1-CG1 3.99Å; I38-I198 HydrophobicContact CG1-CD1 4.04Å; I38-I198 HydrophobicContact CG1-CG1 4.31Å; I38-I198 HydrophobicContact CG2-CD1 4.24Å
39G98.8Very high98.3Very high0 Ų026 Ų260%013%0.132CC..EExtended strand (participates in β ladder)trans-137.2132.5169.800000109V47 L149 G163 C164G39-V47 WeakPolarHBondContact CA-O 3.43Å; G39-L149 VanDerWaalsContact O-CD2 3.32Å; G39-L149 WeakPolarHBondContact O-CD2 3.17Å; G39-G163 CarbonylContact O-C 3.59Å; G39-G163 WeakPolarHBondContact O-CA 3.33Å; G39-C164 PolarHBondContact N-O 3.07Å; G39-C164 PolarHBondContact O-N 2.96Å
40I98.9Very high98.3Very high0 Ų022 Ų220%012%0.115CC..EExtended strand (participates in β ladder)trans-130.8130.8-179.3-47.2175.9000108.8I38 V46 V47 I177 L180 M182 L190 V194 I197I38-I40 HydrophobicContact CD1-CD1 4.45Å; I40-V46 WeakPolarHBondContact O-CA 3.33Å; I40-V47 PolarHBondContact N-O 3.39Å; I40-V47 PolarHBondContact O-N 2.73Å; I40-I177 HydrophobicContact CD1-CD1 4.33Å; I40-I177 HydrophobicContact CD1-CG1 3.79Å; I40-I177 HydrophobicContact CD1-CG2 4.44Å; I40-I177 HydrophobicContact CG1-CD1 4.28Å; I40-I177 HydrophobicContact CG1-CG1 4.22Å; I40-L180 HydrophobicContact CD1-CD1 3.98Å; I40-M182 HydrophobicContact CG2-CB 4.01Å; I40-M182 HydrophobicContact CG2-CG 4.46Å; I40-M182 HydrophobicContact CG2-SD 3.91Å; I40-L190 HydrophobicContact CB-CD1 4.09Å; I40-L190 HydrophobicContact CB-CD2 3.8Å; I40-L190 HydrophobicContact CB-CG 4.32Å; I40-L190 HydrophobicContact CD1-CD1 4.16Å; I40-L190 HydrophobicContact CG2-CD1 3.8Å; I40-L190 HydrophobicContact CG2-CD2 3.85Å; I40-L190 HydrophobicContact CG2-CG 4.4Å; I40-L190 WeakPolarHBondContact O-CD2 3.48Å; I40-V194 HydrophobicContact CD1-CG2 3.75Å; I40-V194 HydrophobicContact CG1-CG2 4.21Å; I40-I197 HydrophobicContact CD1-CD1 4.04Å
41R98.7Very high98.3Very high62 Ų6220 Ų2023%0.23410%0.098CC..EExtended strand (participates in β ladder)trans-91.4132.4174.2170.9-178.7172.5173.510108.8V46 P147 L149 W162R41-V46 HydrophobicContact CB-CG2 4.28Å; R41-P147 WeakPolarHBondContact CD-O 3.43Å; R41-P147 HydrophobicContact CG-CB 4.06Å; R41-P147 HydrophobicContact CG-CG 4.24Å; R41-P147 PolarHBondContact NE-O 2.88Å; R41-P147 PolarHBondContact NH1-O 2.85Å; R41-P147 PolarHBondContact NH2-O 2.98Å; R41-L149 HydrophobicContact CB-CB 4.21Å; R41-L149 HydrophobicContact CB-CD2 4.49Å; R41-W162 HydrophobicContact CB-CE3 4.41Å; R41-W162 WeakPolarHBondContact CB-O 3.47Å; R41-W162 HydrophobicContact CG-CE3 4Å; R41-W162 HydrophobicContact CG-CZ3 4.09Å; R41-W162 PolarHBondContact N-O 2.92Å
42C98.5Very high98.3Very high0 Ų020.4 Ų20.40%010%0.099CC..  trans-119.6-168.3172.3630000111.1D44 G45 P147 M182 M185 C187 L190C42-D44 VanDerWaalsContact C-N 3.35Å; C42-D44 PolarHBondContact O-N 3.49Å; C42-D44 PolarHBondContact SG-OD1 3.39Å; C42-G45 PolarHBondContact N-O 3.2Å; C42-G45 PolarHBondContact SG-O 2.81Å; C42-P147 VanDerWaalsContact O-CG 3.25Å; C42-P147 WeakPolarHBondContact O-CG 3.44Å; C42-M182 WeakPolarHBondContact CA-O 3.43Å; C42-M182 WeakPolarHBondContact CB-O 3.42Å; C42-M185 WeakPolarHBondContact CB-O 3.25Å; C42-C187 PolarHBondContact SG-N 2.9Å; C42-C187 VanDerWaalsContact SG-N 3.4Å; C42-L190 HydrophobicContact CB-CD2 3.63Å
43K97.9Very high98.3Very high114 Ų11419.5 Ų19.550%0.49610%0.096SC..SBendtrans-70.1-31.4-173.379.4-166.1167.5-167.10113.7K183 D184 M185K43-K183 WeakPolarHBondContact CB-O 3.32Å; K43-D184 WeakPolarHBondContact CD-O 3.47Å; K43-D184 WeakPolarHBondContact CE-O 2.75Å; K43-D184 PolarHBondContact NZ-O 2.89Å; K43-M185 VanDerWaalsContact CG-O 3.25Å; K43-M185 WeakPolarHBondContact CG-O 3.38Å; K43-M185 PolarHBondContact N-O 3.34Å
44D98.2Very high98.3Very high23 Ų2315.7 Ų15.712%0.1238%0.077CC..SBendtrans-119.98.4-171.263.4-15.6000112.8C42 Y141 T186 C187 G218 E219C42-D44 VanDerWaalsContact C-N 3.35Å; C42-D44 PolarHBondContact O-N 3.49Å; C42-D44 PolarHBondContact SG-OD1 3.39Å; D44-Y141 WeakPolarHBondContact O-CE2 3.45Å; D44-T186 VanDerWaalsContact OD1-CA 3.24Å; D44-T186 WeakPolarHBondContact OD1-CA 3.43Å; D44-T186 WeakPolarHBondContact OD2-CB 3.38Å; D44-C187 PolarHBondContact OD1-N 2.99Å; D44-G218 CarbonylContact O-C 3.58Å; D44-G218 WeakPolarHBondContact O-CA 3.49Å; D44-E219 HydrophobicContact CB-CB 4.1Å; D44-E219 PolarHBondContact O-N 3.22Å
45G98.6Very high98.1Very high0 Ų019.7 Ų19.70%010%0.096CC..EExtended strand (participates in β ladder)trans167.5-163.1177.900000115.3C42 C187 V217C42-G45 PolarHBondContact N-O 3.2Å; C42-G45 PolarHBondContact SG-O 2.81Å; G45-C187 WeakPolarHBondContact CA-SG 3.13Å; G45-V217 CarbonylContact C-O 3.55Å; G45-V217 WeakPolarHBondContact CA-O 3.27Å
46V98.9Very high98Very high0 Ų020.9 Ų20.90%011%0.105CC..EExtended strand (participates in β ladder)trans-131.3138.3179174.20000109.1I40 R41 F48 P147 Q148 L149 W216 V217I40-V46 WeakPolarHBondContact O-CA 3.33Å; R41-V46 HydrophobicContact CB-CG2 4.28Å; V46-F48 HydrophobicContact CG1-CD2 4.49Å; V46-F48 HydrophobicContact CG1-CE1 4.25Å; V46-F48 HydrophobicContact CG1-CE2 4.02Å; V46-F48 HydrophobicContact CG1-CZ 3.91Å; V46-P147 HydrophobicContact CG2-CB 4.21Å; V46-Q148 WeakPolarHBondContact CG2-O 3.01Å; V46-L149 HydrophobicContact CG1-CD1 3.65Å; V46-L149 HydrophobicContact CG2-CB 4.46Å; V46-W216 CarbonylContact O-C 3.59Å; V46-W216 VanDerWaalsContact O-CA 3.23Å; V46-W216 WeakPolarHBondContact O-CA 3.31Å; V46-V217 HydrophobicContact CB-CG1 3.98Å; V46-V217 PolarHBondContact N-O 3.08Å; V46-V217 PolarHBondContact O-N 2.96Å
47V98.9Very high97.8Very high0 Ų030.3 Ų30.30%015%0.146CC..EExtended strand (participates in β ladder)trans-121.4135.6174.8-176.30000109.4G39 I40 C187 L190 V191 V194 S215 W216G39-V47 WeakPolarHBondContact CA-O 3.43Å; I40-V47 PolarHBondContact N-O 3.39Å; I40-V47 PolarHBondContact O-N 2.73Å; V47-C187 HydrophobicContact CG2-CB 4.22Å; V47-L190 HydrophobicContact CB-CD2 4.08Å; V47-L190 HydrophobicContact CB-CG 4.29Å; V47-L190 HydrophobicContact CG2-CB 4.19Å; V47-L190 HydrophobicContact CG2-CD2 3.93Å; V47-L190 HydrophobicContact CG2-CG 4.16Å; V47-V191 HydrophobicContact CG1-CB 4.5Å; V47-V191 HydrophobicContact CG1-CG2 3.68Å; V47-V191 HydrophobicContact CG2-CG2 3.95Å; V47-V194 HydrophobicContact CB-CG2 4.18Å; V47-V194 HydrophobicContact CG1-CB 4.2Å; V47-V194 HydrophobicContact CG1-CG1 4.28Å; V47-V194 HydrophobicContact CG1-CG2 3.87Å; V47-S215 WeakPolarHBondContact CA-O 3.43Å; V47-W216 HydrophobicContact CG2-CB 4.31Å
48F98.9Very high97.7Very high0 Ų037.9 Ų37.90%019%0.185CC..EExtended strand (participates in β ladder)trans-110.5143.5172.7-60.4-75.6000111I38 V46 I67 A77 I137 L149 L214 S215 H225I38-F48 WeakPolarHBondContact O-CA 3.37Å; V46-F48 HydrophobicContact CG1-CD2 4.49Å; V46-F48 HydrophobicContact CG1-CE1 4.25Å; V46-F48 HydrophobicContact CG1-CE2 4.02Å; V46-F48 HydrophobicContact CG1-CZ 3.91Å; F48-I67 HydrophobicContact CB-CD1 4.3Å; F48-A77 HydrophobicContact CB-CB 4.2Å; F48-A77 HydrophobicContact CD1-CB 3.64Å; F48-A77 HydrophobicContact CE1-CB 4.18Å; F48-A77 HydrophobicContact CG-CB 4.04Å; F48-I137 HydrophobicContact CE1-CB 3.99Å; F48-I137 HydrophobicContact CE1-CG2 3.72Å; F48-L149 HydrophobicContact CE1-CD1 3.84Å; F48-L149 HydrophobicContact CZ-CD1 4.21Å; F48-L214 WeakPolarHBondContact O-CA 3.27Å; F48-L214 WeakPolarHBondContact O-CD2 3.45Å; F48-S215 WeakPolarHBondContact CB-OG 3.3Å; F48-S215 WeakPolarHBondContact CD2-OG 3.45Å; F48-S215 PolarHBondContact N-O 3.34Å; F48-S215 PolarHBondContact O-N 3.25Å; F48-H225 AromaticContact CD2-NE2 3.9Å
49G98.8Very high97.6Very high0 Ų043.9 Ų43.90%021%0.209CC..EExtended strand (participates in β ladder)trans-132.3136.3170.300000111.4A37 I38 V194 E213A37-G49 CarbonylContact C-O 3.48Å; A37-G49 WeakPolarHBondContact CA-O 3.27Å; I38-G49 PolarHBondContact N-O 3.25Å; I38-G49 PolarHBondContact O-N 3.37Å; G49-V194 VanDerWaalsContact CA-CG1 3.48Å; G49-E213 CarbonylContact C-O 3.59Å; G49-E213 WeakPolarHBondContact CA-O 3.42Å
50V98.8Very high97.5Very high0 Ų051.6 Ų51.60%025%0.245CC..EExtended strand (participates in β ladder)trans-129.6127.1177-1760000110.9A37 K52 R66 I67 A77 E213A37-V50 HydrophobicContact CB-CB 4.46Å; A37-V50 HydrophobicContact CB-CG1 4.27Å; A37-V50 HydrophobicContact CB-CG2 3.84Å; V50-K52 PolarHBondContact O-N 2.96Å; V50-R66 HydrophobicContact CG1-CB 3.89Å; V50-R66 HydrophobicContact CG1-CG 4.47Å; V50-R66 HydrophobicContact CG2-CB 4.43Å; V50-I67 HydrophobicContact CG2-CD1 3.97Å; V50-I67 HydrophobicContact CG2-CG1 3.75Å; V50-A77 HydrophobicContact CG2-CB 4.34Å; V50-E213 HydrophobicContact CB-CB 4.24Å; V50-E213 PolarHBondContact N-O 3.36Å; V50-E213 PolarHBondContact O-N 3.37Å; V50-E213 VanDerWaalsContact O-N 3.12Å
51E98.3Very high97.2Very high0 Ų058.4 Ų58.40%028%0.277CS..EExtended strand (participates in β ladder)trans-75.194.3165.5-176.4-157.9176.900108.3S35 T36 L53 R66 K168 I198 H202 F210S35-E51 VanDerWaalsContact CB-O 3.27Å; S35-E51 WeakPolarHBondContact CB-O 3.25Å; S35-E51 WeakPolarHBondContact CB-OE2 3.43Å; S35-E51 PolarHBondContact OG-O 3.5Å; T36-E51 PolarHBondContact N-OE2 3.45Å; T36-E51 WeakPolarHBondContact O-CB 3.18Å; T36-E51 PolarHBondContact O-N 3.5Å; T36-E51 PolarHBondContact OG1-OE2 2.84Å; E51-L53 HydrophobicContact CG-CD2 4.29Å; E51-L53 WeakPolarHBondContact OE1-CD2 3.25Å; E51-R66 PolarHBondContact O-NH1 2.86Å; E51-K168 WeakPolarHBondContact OE1-CE 3.33Å; E51-K168 IonicContact OE1-NZ 3.58Å; E51-K168 PolarHBondContact OE1-NZ 3.22Å; E51-K168 WeakPolarHBondContact OE2-CE 3.49Å; E51-K168 IonicContact OE2-NZ 3.4Å; E51-I198 HydrophobicContact CB-CD1 4.48Å; E51-I198 HydrophobicContact CB-CG2 4Å; E51-H202 IonicContact OE1-CE1 3.53Å; E51-H202 IonicContact OE1-CG 2.8Å; E51-H202 IonicContact OE1-ND1 2.7Å; E51-H202 PolarHBondContact OE1-ND1 3.4Å; E51-F210 HydrophobicContact CG-CB 4.19Å; E51-F210 HydrophobicContact CG-CD2 4.18Å; E51-F210 HydrophobicContact CG-CG 4.16Å
52K97.9Very high96.9Very high14 Ų1456.5 Ų56.56%0.06128%0.276CS..EExtended strand (participates in β ladder)trans-97.697.9179-172.3-175.562.6-178.30110.9V50 V54 S63 F210 E211 E213V50-K52 PolarHBondContact O-N 2.96Å; K52-V54 PolarHBondContact O-N 3.07Å; K52-S63 WeakPolarHBondContact CD-O 3.38Å; K52-S63 WeakPolarHBondContact CE-O 3.18Å; K52-S63 PolarHBondContact NZ-O 3.04Å; K52-F210 CarbonylContact O-C 3.59Å; K52-F210 WeakPolarHBondContact O-CA 3.48Å; K52-E211 WeakPolarHBondContact CB-O 3.44Å; K52-E211 WeakPolarHBondContact CE-OE2 3.39Å; K52-E211 PolarHBondContact N-O 3.38Å; K52-E211 IonicContact NZ-OE2 3.5Å; K52-E211 PolarHBondContact NZ-OE2 3.09Å; K52-E211 PolarHBondContact O-N 2.85Å; K52-E213 HydrophobicContact CB-CG 4.2Å; K52-E213 HydrophobicContact CD-CG 4.27Å; K52-E213 VanDerWaalsContact CD-OE1 3.25Å; K52-E213 WeakPolarHBondContact CD-OE1 3.49Å; K52-E213 VanDerWaalsContact CE-OE1 3.26Å; K52-E213 WeakPolarHBondContact CE-OE1 3.39Å; K52-E213 IonicContact NZ-OE1 3.77Å; K52-E213 PolarHBondContact NZ-OE1 3.22Å
53L96.6Very high96.7Very high43 Ų4358.7 Ų58.723%0.22529%0.291CS..EExtended strand (participates in β ladder)trans-58.3131178.2-59.6-178.1000112.1E51 L55 D207 F210E51-L53 HydrophobicContact CG-CD2 4.29Å; E51-L53 WeakPolarHBondContact OE1-CD2 3.25Å; L53-L55 HydrophobicContact CB-CD2 4.43Å; L53-L55 PolarHBondContact O-N 3.26Å; L53-D207 HydrophobicContact CD2-CB 4.03Å; L53-F210 HydrophobicContact CD2-CB 4.07Å
54V96.1Very high96.5Very high40 Ų4056.5 Ų56.524%0.24229%0.285CS..  trans-9198175.2-177.50000108.4K52 S56 S209 E211K52-V54 PolarHBondContact O-N 3.07Å; V54-S56 VanDerWaalsContact C-N 3.3Å; V54-S56 WeakPolarHBondContact CG1-O 3.35Å; V54-S56 PolarHBondContact O-N 3.48Å; V54-S209 WeakPolarHBondContact CB-O 3.2Å; V54-S209 PolarHBondContact N-O 2.91Å; V54-E211 HydrophobicContact CG2-CB 4.29Å
55L94Very high96.5Very high105 Ų10560 Ų6055%0.5530%0.299SS..  trans-71.3-27.9-175.6-58.1179.3000113.1L53 Y59 K208L53-L55 HydrophobicContact CB-CD2 4.43Å; L53-L55 PolarHBondContact O-N 3.26Å; L55-Y59 HydrophobicContact CB-CE2 4.11Å; L55-K208 PolarHBondContact O-NZ 2.91Å
56S95.3Very high96.5Very high38 Ų3860.8 Ų60.827%0.26630%0.302SS..  trans-148.4137.8-179.7-178.30000110.4V54 L58 Y59V54-S56 VanDerWaalsContact C-N 3.3Å; V54-S56 WeakPolarHBondContact CG1-O 3.35Å; V54-S56 PolarHBondContact O-N 3.48Å; S56-L58 PolarHBondContact O-N 3.25Å; S56-L58 WeakPolarHBondContact OG-CB 3.48Å; S56-L58 WeakPolarHBondContact OG-CG 3.44Å; S56-L58 PolarHBondContact OG-N 3.27Å; S56-Y59 PolarHBondContact O-N 2.8Å
57K94.1Very high96.4Very high198 Ų19861.3 Ų61.386%0.86131%0.305SS*.THydrogen-bonded Turntrans-67.5-7.8172.1-63.4-176.4178.3-177.30113.2Y59K57-Y59 VanDerWaalsContact C-N 3.3Å
58L97Very high96.4Very high159 Ų15962.4 Ų62.483%0.83231%0.309SS*.THydrogen-bonded Turntrans-80.2-11.9175.6-58.4176.7000112.8S56S56-L58 PolarHBondContact O-N 3.25Å; S56-L58 WeakPolarHBondContact OG-CB 3.48Å; S56-L58 WeakPolarHBondContact OG-CG 3.44Å; S56-L58 PolarHBondContact OG-N 3.27Å
59Y95.9Very high96.4Very high126 Ų12666 Ų6649%0.49433%0.329SS..SBendtrans-79.8138.8175.6-63.7-25.8000110.7L55 S56 K57L55-Y59 HydrophobicContact CB-CE2 4.11Å; S56-Y59 PolarHBondContact O-N 2.8Å; K57-Y59 VanDerWaalsContact C-N 3.3Å
60E96.9Very high96.4Very high161 Ų16166.3 Ų66.375%0.75233%0.331SS*.PPolyproline II helixtrans-62.4145.7170.7-72-67.1171.500111.1G62 S63E60-G62 PolarHBondContact O-N 3.22Å; E60-S63 WeakPolarHBondContact O-CB 3.39Å; E60-S63 PolarHBondContact O-N 3.24Å; E60-S63 VanDerWaalsContact O-N 3.1Å
61Q92.6Very high96.4Very high144 Ų14467.1 Ų67.167%0.67334%0.335SS*.THydrogen-bonded Turntrans-59.4138.8174-172.1176.413.900110.2S63 E211Q61-S63 PolarHBondContact O-N 3.41Å; Q61-E211 WeakPolarHBondContact CG-OE1 3.23Å
62G91.9Very high96.3Very high21 Ų2176 Ų7622%0.21637%0.368CS..THydrogen-bonded Turntrans75.23-17700000114.6E60 K65 E211E60-G62 PolarHBondContact O-N 3.22Å; G62-K65 WeakPolarHBondContact O-CE 3.2Å; G62-K65 WeakPolarHBondContact O-CG 3.33Å; G62-E211 PolarHBondContact N-OE1 3.15Å; G62-E211 PolarHBondContact N-OE2 2.91Å
63S94.3Very high96.3Very high47 Ų4776 Ų7633%0.32937%0.368SS..THydrogen-bonded Turntrans-65.1158.3169.5-173.20000111.2K52 E60 Q61 K65K52-S63 WeakPolarHBondContact CD-O 3.38Å; K52-S63 WeakPolarHBondContact CE-O 3.18Å; K52-S63 PolarHBondContact NZ-O 3.04Å; E60-S63 WeakPolarHBondContact O-CB 3.39Å; E60-S63 PolarHBondContact O-N 3.24Å; E60-S63 VanDerWaalsContact O-N 3.1Å; Q61-S63 PolarHBondContact O-N 3.41Å; S63-K65 VanDerWaalsContact C-N 3.3Å; S63-K65 PolarHBondContact O-N 3.09Å
64N94.9Very high96.4Very high67 Ų6773.9 Ų73.936%0.35836%0.358SS..THydrogen-bonded Turntrans5738175.2-56.880.8000114.3R66 L82N64-R66 PolarHBondContact O-N 2.68Å; N64-L82 HydrophobicContact CB-CD2 4.22Å
65K96.9Very high96.6Very high98 Ų9872 Ų7243%0.42635%0.346SS..  trans-48138.7177.6-61.6-171.1178.3178.80112.5G62 S63 F68 E213G62-K65 WeakPolarHBondContact O-CE 3.2Å; G62-K65 WeakPolarHBondContact O-CG 3.33Å; S63-K65 VanDerWaalsContact C-N 3.3Å; S63-K65 PolarHBondContact O-N 3.09Å; K65-F68 WeakPolarHBondContact O-CZ 3.45Å; K65-E213 WeakPolarHBondContact CA-OE1 3.41Å
66R98.6Very high96.8Very high16 Ų1667 Ų676%0.0632%0.32CS..  trans-114.61.3177.8-71.8177.859.6-169.50.6112.9S35 V50 E51 N64 A77 V78 A79 L82 E213S35-R66 PolarHBondContact O-NH1 2.95Å; S35-R66 VanDerWaalsContact O-NH1 3.1Å; S35-R66 PolarHBondContact O-NH2 3.01Å; S35-R66 PolarHBondContact OG-NH1 2.93Å; V50-R66 HydrophobicContact CG1-CB 3.89Å; V50-R66 HydrophobicContact CG1-CG 4.47Å; V50-R66 HydrophobicContact CG2-CB 4.43Å; E51-R66 PolarHBondContact O-NH1 2.86Å; N64-R66 PolarHBondContact O-N 2.68Å; R66-A77 WeakPolarHBondContact O-CA 3.43Å; R66-V78 HydrophobicContact CB-CG2 4.07Å; R66-V78 HydrophobicContact CG-CG2 4.3Å; R66-V78 VanDerWaalsContact CZ-O 3.23Å; R66-V78 PolarHBondContact NE-O 3.19Å; R66-V78 PolarHBondContact NH2-O 3.09Å; R66-V78 PolarHBondContact O-N 3.34Å; R66-A79 VanDerWaalsContact NH2-CA 3.32Å; R66-A79 VanDerWaalsContact NH2-CB 3.28Å; R66-L82 HydrophobicContact CG-CD1 4.1Å; R66-E213 PolarHBondContact N-OE2 2.84Å
67I98.7Very high97Very high10 Ų1065.2 Ų65.25%0.05131%0.307CS..EExtended strand (participates in β ladder)trans-108.7129.6168.8-64.1169.5000108.4F48 V50 M76 A77 E213 S215 L227F48-I67 HydrophobicContact CB-CD1 4.3Å; V50-I67 HydrophobicContact CG2-CD1 3.97Å; V50-I67 HydrophobicContact CG2-CG1 3.75Å; I67-M76 CarbonylContact C-O 3.57Å; I67-M76 WeakPolarHBondContact CA-O 3.28Å; I67-A77 HydrophobicContact CG1-CB 4.31Å; I67-E213 HydrophobicContact CD1-CB 3.83Å; I67-S215 VanDerWaalsContact CG2-OG 3.29Å; I67-S215 WeakPolarHBondContact CG2-OG 3.44Å; I67-L227 HydrophobicContact CG2-CD2 4.33Å
68F98.7Very high97.2Very high23 Ų2355.9 Ų55.910%0.10127%0.267CS..EExtended strand (participates in β ladder)trans-125.5145.5-179.6-53.8-82.4000111.1K65 G75 M76 V78 L82 R86K65-F68 WeakPolarHBondContact O-CZ 3.45Å; F68-G75 CarbonylContact O-C 3.58Å; F68-M76 HydrophobicContact CB-CB 4.4Å; F68-M76 PolarHBondContact N-O 3.38Å; F68-M76 PolarHBondContact O-N 3.28Å; F68-V78 HydrophobicContact CD2-CG1 3.9Å; F68-V78 HydrophobicContact CE2-CB 4.45Å; F68-V78 HydrophobicContact CE2-CG1 3.76Å; F68-V78 HydrophobicContact CE2-CG2 3.8Å; F68-L82 HydrophobicContact CZ-CD1 4.18Å; F68-R86 HydrophobicContact CE1-CG 4.08Å; F68-R86 HydrophobicContact CZ-CG 3.91Å
69N98.6Very high97.3Very high76 Ų7648.3 Ų48.341%0.40623%0.228SC..EExtended strand (participates in β ladder)trans-83.8117.9161.4-63.1-1.9000107.6R93 H225N69-R93 PolarHBondContact O-NE 2.95Å; N69-R93 PolarHBondContact O-NH2 3.35Å; N69-H225 PolarHBondContact OD1-CE1 3.32Å; N69-H225 VanDerWaalsContact OD1-CE1 3.28Å; N69-H225 PolarHBondContact OD1-ND1 3.47Å
70V98.1Very high97.4Very high6 Ų643.1 Ų43.14%0.03621%0.213CC..EExtended strand (participates in β ladder)trans-96.8-29.7174.5-58.20000111.6V74 M76 A92 R93 L112 L138V70-V74 HydrophobicContact CG2-CB 3.5Å; V70-V74 HydrophobicContact CG2-CG1 3.28Å; V70-V74 PolarHBondContact N-O 2.92Å; V70-M76 HydrophobicContact CG1-CB 3.54Å; V70-M76 HydrophobicContact CG1-CG 4.22Å; V70-M76 HydrophobicContact CG1-SD 3.67Å; V70-A92 HydrophobicContact CB-CB 4.03Å; V70-A92 HydrophobicContact CG1-CB 3.96Å; V70-R93 HydrophobicContact CB-CG 4.38Å; V70-R93 WeakPolarHBondContact O-CA 3.31Å; V70-R93 WeakPolarHBondContact O-CG 3.29Å; V70-L112 HydrophobicContact CG2-CD2 4.02Å; V70-L138 HydrophobicContact CG2-CD2 4.25Å
71D98.4Very high97.5Very high17 Ų1739.4 Ų39.49%0.09120%0.197CC..EExtended strand (participates in β ladder)trans-144.4177.6162.5-158.1-8.5000108.6H73 V74 A96 R100D71-H73 PolarHBondContact O-N 2.88Å; D71-H73 IonicContact OD2-CE1 3.25Å; D71-H73 PolarHBondContact OD2-CE1 3.27Å; D71-H73 VanDerWaalsContact OD2-CE1 3.25Å; D71-H73 IonicContact OD2-ND1 3.72Å; D71-V74 HydrophobicContact CB-CB 4.27Å; D71-V74 HydrophobicContact CB-CG2 4.2Å; D71-V74 PolarHBondContact N-O 3.11Å; D71-V74 PolarHBondContact O-N 2.9Å; D71-V74 VanDerWaalsContact O-O 3.12Å; D71-A96 HydrophobicContact CB-CB 4.07Å; D71-R100 IonicContact OD1-CZ 3.46Å; D71-R100 IonicContact OD1-NH1 3.22Å; D71-R100 PolarHBondContact OD1-NH1 2.69Å; D71-R100 IonicContact OD1-NH2 2.78Å; D71-R100 PolarHBondContact OD1-NH2 3.15Å; D71-R100 IonicContact OD2-CZ 3.56Å; D71-R100 IonicContact OD2-NH1 3.8Å; D71-R100 IonicContact OD2-NH2 2.83Å; D71-R100 PolarHBondContact OD2-NH2 3.34Å
72R97.6Very high97.8Very high186 Ų18634.2 Ų34.270%0.70217%0.174SC*.THydrogen-bonded Turntrans-57.8-36.7179.6-63.7-178.6-179.5-178.91.3112.3K224 H225R72-K224 CarbonylContact O-C 3.44Å; R72-K224 WeakPolarHBondContact O-CA 3.22Å; R72-K224 WeakPolarHBondContact O-CG 3.33Å; R72-H225 PolarHBondContact O-N 3.28Å
73H98.3Very high98.1Very high14 Ų1436.2 Ų36.27%0.06519%0.188CC..THydrogen-bonded Turntrans-104.98.7-177.565.6-58.8000113.6D71 I107 S140 G223D71-H73 PolarHBondContact O-N 2.88Å; D71-H73 IonicContact OD2-CE1 3.25Å; D71-H73 PolarHBondContact OD2-CE1 3.27Å; D71-H73 VanDerWaalsContact OD2-CE1 3.25Å; D71-H73 IonicContact OD2-ND1 3.72Å; H73-I107 PolarHBondContact NE2-O 3.49Å; H73-S140 WeakPolarHBondContact O-CA 3.37Å; H73-S140 WeakPolarHBondContact O-CB 3.41Å; H73-G223 WeakPolarHBondContact CA-O 3.48Å; H73-G223 VanDerWaalsContact CB-O 3.23Å; H73-G223 WeakPolarHBondContact CB-O 3.42Å
74V98.8Very high98.3Very high0 Ų034.7 Ų34.70%018%0.176CC..EExtended strand (participates in β ladder)trans-132.1121.6-175.7-170.30000112V70 D71 L109 L112 L138 G139V70-V74 HydrophobicContact CG2-CB 3.5Å; V70-V74 HydrophobicContact CG2-CG1 3.28Å; V70-V74 PolarHBondContact N-O 2.92Å; D71-V74 HydrophobicContact CB-CB 4.27Å; D71-V74 HydrophobicContact CB-CG2 4.2Å; D71-V74 PolarHBondContact N-O 3.11Å; D71-V74 PolarHBondContact O-N 2.9Å; D71-V74 VanDerWaalsContact O-O 3.12Å; V74-L109 HydrophobicContact CB-CD1 4.48Å; V74-L109 HydrophobicContact CG1-CD1 3.47Å; V74-L109 VanDerWaalsContact CG1-CD1 3.47Å; V74-L109 HydrophobicContact CG2-CD1 4.18Å; V74-L112 HydrophobicContact CB-CD2 4.46Å; V74-L112 HydrophobicContact CG1-CD2 3.99Å; V74-L112 HydrophobicContact CG2-CD2 4.28Å; V74-L138 HydrophobicContact CG1-CD2 4.36Å; V74-G139 WeakPolarHBondContact CA-O 3.4Å
75G98.8Very high98.5Very high0 Ų031.5 Ų31.50%016%0.159CC..EExtended strand (participates in β ladder)trans-96.2151.7169.500000112.7F68 L138 G139 H225F68-G75 CarbonylContact O-C 3.58Å; G75-L138 WeakPolarHBondContact O-CA 3.41Å; G75-G139 PolarHBondContact N-O 2.94Å; G75-G139 PolarHBondContact O-N 3.41Å; G75-H225 WeakPolarHBondContact CA-CD2 3.34Å; G75-H225 VanDerWaalsContact CA-CE1 3.44Å; G75-H225 WeakPolarHBondContact CA-CE1 3.23Å; G75-H225 WeakPolarHBondContact CA-ND1 3.29Å; G75-H225 WeakPolarHBondContact CA-NE2 3.41Å
76M98.9Very high98.5Very high0 Ų032 Ų320%016%0.159CC..EExtended strand (participates in β ladder)trans-134.6116.5176-177.8-171.9-176.500110.5I67 F68 V70 V78 L88 F136 I137 L138I67-M76 CarbonylContact C-O 3.57Å; I67-M76 WeakPolarHBondContact CA-O 3.28Å; F68-M76 HydrophobicContact CB-CB 4.4Å; F68-M76 PolarHBondContact N-O 3.38Å; F68-M76 PolarHBondContact O-N 3.28Å; V70-M76 HydrophobicContact CG1-CB 3.54Å; V70-M76 HydrophobicContact CG1-CG 4.22Å; V70-M76 HydrophobicContact CG1-SD 3.67Å; M76-V78 HydrophobicContact CE-CG1 3.88Å; M76-V78 HydrophobicContact CG-CG1 3.97Å; M76-V78 HydrophobicContact SD-CG1 4.29Å; M76-L88 HydrophobicContact CE-CB 4.08Å; M76-F136 HydrophobicContact CE-CB 3.45Å; M76-F136 VanDerWaalsContact CE-CB 3.45Å; M76-F136 HydrophobicContact CE-CD1 3.77Å; M76-F136 HydrophobicContact CE-CD2 3.6Å; M76-F136 HydrophobicContact CE-CE1 4.42Å; M76-F136 HydrophobicContact CE-CE2 4.26Å; M76-F136 HydrophobicContact CE-CG 3.31Å; M76-F136 HydrophobicContact CG-CB 4.08Å; M76-F136 HydrophobicContact CG-CD2 4.26Å; M76-F136 HydrophobicContact CG-CG 4.48Å; M76-I137 CarbonylContact C-O 3.55Å; M76-I137 VanDerWaalsContact CA-O 3.24Å; M76-I137 WeakPolarHBondContact CA-O 3.47Å; M76-L138 HydrophobicContact CB-CD2 3.78Å; M76-L138 HydrophobicContact CG-CD2 3.81Å; M76-L138 HydrophobicContact SD-CD2 4.46Å
77A98.9Very high98.6Very high0 Ų034 Ų340%018%0.175CC..EExtended strand (participates in β ladder)trans-104.3136.4172.400000110.3F48 V50 R66 I67 F136 I137F48-A77 HydrophobicContact CB-CB 4.2Å; F48-A77 HydrophobicContact CD1-CB 3.64Å; F48-A77 HydrophobicContact CE1-CB 4.18Å; F48-A77 HydrophobicContact CG-CB 4.04Å; V50-A77 HydrophobicContact CG2-CB 4.34Å; R66-A77 WeakPolarHBondContact O-CA 3.43Å; I67-A77 HydrophobicContact CG1-CB 4.31Å; A77-F136 CarbonylContact O-C 3.54Å; A77-F136 VanDerWaalsContact O-CA 3.25Å; A77-F136 WeakPolarHBondContact O-CA 3.37Å; A77-I137 PolarHBondContact N-O 2.96Å; A77-I137 PolarHBondContact O-N 3.37Å
78V98.8Very high98.6Very high2 Ų233.5 Ų33.51%0.01217%0.172CC..EExtended strand (participates in β ladder)trans-125.4151.6-169.1-48.20000113.4R66 F68 M76 L82 A85 F136R66-V78 HydrophobicContact CB-CG2 4.07Å; R66-V78 HydrophobicContact CG-CG2 4.3Å; R66-V78 VanDerWaalsContact CZ-O 3.23Å; R66-V78 PolarHBondContact NE-O 3.19Å; R66-V78 PolarHBondContact NH2-O 3.09Å; R66-V78 PolarHBondContact O-N 3.34Å; F68-V78 HydrophobicContact CD2-CG1 3.9Å; F68-V78 HydrophobicContact CE2-CB 4.45Å; F68-V78 HydrophobicContact CE2-CG1 3.76Å; F68-V78 HydrophobicContact CE2-CG2 3.8Å; M76-V78 HydrophobicContact CE-CG1 3.88Å; M76-V78 HydrophobicContact CG-CG1 3.97Å; M76-V78 HydrophobicContact SD-CG1 4.29Å; V78-L82 HydrophobicContact CG2-CD1 4.07Å; V78-A85 HydrophobicContact CB-CB 3.77Å; V78-A85 HydrophobicContact CG1-CB 3.99Å; V78-A85 HydrophobicContact CG2-CB 3.65Å; V78-F136 HydrophobicContact CB-CB 4.42Å; V78-F136 HydrophobicContact CG1-CB 3.9Å
79A98.7Very high98.6Very high1 Ų132.4 Ų32.41%0.00817%0.168CC..EExtended strand (participates in β ladder)trans-139.3148.7166.400000111.3V31 R66 C134 S135 I166V31-A79 HydrophobicContact CG1-CB 4.18Å; R66-A79 VanDerWaalsContact NH2-CA 3.32Å; R66-A79 VanDerWaalsContact NH2-CB 3.28Å; A79-C134 CarbonylContact O-C 3.57Å; A79-C134 VanDerWaalsContact O-CA 3.23Å; A79-C134 WeakPolarHBondContact O-CA 3.5Å; A79-C134 WeakPolarHBondContact O-CB 3.47Å; A79-S135 PolarHBondContact N-O 3.09Å; A79-S135 PolarHBondContact O-N 2.71Å; A79-S135 VanDerWaalsContact O-O 3.11Å; A79-I166 HydrophobicContact CB-CB 4.14Å; A79-I166 HydrophobicContact CB-CD1 3.59Å; A79-I166 HydrophobicContact CB-CG1 3.62Å
80G98.4Very high98.6Very high17 Ų1733.9 Ų33.918%0.17517%0.172CC..EExtended strand (participates in β ladder)trans111.7-148.3-17500000112.4S34 L82 G133S34-G80 PolarHBondContact OG-N 2.77Å; G80-L82 PolarHBondContact O-N 2.85Å; G80-G133 CarbonylContact C-O 3.53Å; G80-G133 WeakPolarHBondContact CA-O 3.44Å
81L98.5Very high98.6Very high82 Ų8234.7 Ų34.743%0.42918%0.177SC..  trans-70.9110.5-179.5-176.359.1000110.8A83 D84 A85 G133L81-A83 VanDerWaalsContact C-N 3.26Å; L81-A83 PolarHBondContact O-N 3.45Å; L81-D84 HydrophobicContact CB-CB 4.39Å; L81-D84 WeakPolarHBondContact O-CB 3.32Å; L81-D84 PolarHBondContact O-N 3.44Å; L81-A85 PolarHBondContact O-N 3.4Å; L81-A85 VanDerWaalsContact O-N 3.11Å; L81-G133 PolarHBondContact N-O 3Å
82L98.4Very high98.6Very high36 Ų3633.9 Ų33.919%0.18817%0.173CC..Hα-helixtrans-63.3-28.4-171.9-171.658.7000114.1N64 R66 F68 V78 G80 A85 R86N64-L82 HydrophobicContact CB-CD2 4.22Å; R66-L82 HydrophobicContact CG-CD1 4.1Å; F68-L82 HydrophobicContact CZ-CD1 4.18Å; V78-L82 HydrophobicContact CG2-CD1 4.07Å; G80-L82 PolarHBondContact O-N 2.85Å; L82-A85 PolarHBondContact O-N 2.95Å; L82-R86 WeakPolarHBondContact O-CG 3.29Å; L82-R86 PolarHBondContact O-N 2.92Å
83A98.6Very high98.7Very high62 Ų6229 Ų2951%0.51216%0.155SC..Hα-helixtrans-65-46.5176.200000111.5L81 A85 R86 S87L81-A83 VanDerWaalsContact C-N 3.26Å; L81-A83 PolarHBondContact O-N 3.45Å; A83-A85 VanDerWaalsContact C-N 3.32Å; A83-A85 PolarHBondContact O-N 3.27Å; A83-R86 PolarHBondContact O-N 3.5Å; A83-S87 PolarHBondContact O-N 3.31Å; A83-S87 VanDerWaalsContact O-N 3.1Å
84D98.8Very high98.7Very high15 Ų1534.2 Ų34.28%0.0818%0.179CC..Hα-helixtrans-61.5-43.3175-7416.6000110.9L81 R86 S87 L88 R130 F132 G133L81-D84 HydrophobicContact CB-CB 4.39Å; L81-D84 WeakPolarHBondContact O-CB 3.32Å; L81-D84 PolarHBondContact O-N 3.44Å; D84-R86 VanDerWaalsContact C-N 3.32Å; D84-R86 PolarHBondContact O-N 3.14Å; D84-S87 WeakPolarHBondContact O-CB 3.48Å; D84-S87 PolarHBondContact O-N 2.94Å; D84-S87 VanDerWaalsContact O-N 3.09Å; D84-L88 PolarHBondContact O-N 3.1Å; D84-R130 IonicContact OD1-CZ 2.99Å; D84-R130 IonicContact OD1-NH1 2.8Å; D84-R130 IonicContact OD1-NH2 2.8Å; D84-R130 PolarHBondContact OD1-NH2 3.15Å; D84-R130 IonicContact OD2-CZ 2.71Å; D84-R130 IonicContact OD2-NH1 3.84Å; D84-R130 PolarHBondContact OD2-NH1 2.89Å; D84-R130 IonicContact OD2-NH2 3.69Å; D84-R130 PolarHBondContact OD2-NH2 2.79Å; D84-F132 HydrophobicContact CB-CD1 3.99Å; D84-G133 PolarHBondContact OD2-N 2.94Å
85A98.6Very high98.7Very high0 Ų036 Ų360%019%0.187CC..Hα-helixtrans-62.2-37.6179.200000112.9V78 L81 L82 A83 L88 S89 C134V78-A85 HydrophobicContact CB-CB 3.77Å; V78-A85 HydrophobicContact CG1-CB 3.99Å; V78-A85 HydrophobicContact CG2-CB 3.65Å; L81-A85 PolarHBondContact O-N 3.4Å; L81-A85 VanDerWaalsContact O-N 3.11Å; L82-A85 PolarHBondContact O-N 2.95Å; A83-A85 VanDerWaalsContact C-N 3.32Å; A83-A85 PolarHBondContact O-N 3.27Å; A85-L88 PolarHBondContact O-N 3Å; A85-S89 PolarHBondContact O-N 3.2Å; A85-C134 HydrophobicContact CB-CB 4.09Å
86R98.6Very high98.7Very high109 Ų10936 Ų3641%0.41119%0.187SC..Hα-helixtrans-66.7-39.5172.4-73.4178.5-175.3131.3-2.9112F68 L82 A83 D84 L88 S89 E90F68-R86 HydrophobicContact CE1-CG 4.08Å; F68-R86 HydrophobicContact CZ-CG 3.91Å; L82-R86 WeakPolarHBondContact O-CG 3.29Å; L82-R86 PolarHBondContact O-N 2.92Å; A83-R86 PolarHBondContact O-N 3.5Å; D84-R86 VanDerWaalsContact C-N 3.32Å; D84-R86 PolarHBondContact O-N 3.14Å; R86-L88 VanDerWaalsContact C-N 3.31Å; R86-L88 PolarHBondContact O-N 3.29Å; R86-S89 PolarHBondContact O-N 3.05Å; R86-S89 PolarHBondContact O-OG 3.21Å; R86-E90 PolarHBondContact O-N 3.03Å; R86-E90 VanDerWaalsContact O-N 3.15Å
87S98.7Very high98.7Very high57 Ų5738.9 Ų38.940%0.39921%0.207SC..Hα-helixtrans-60.7-43.2174.3-170.70000111.3A83 D84 S89 E90 V91A83-S87 PolarHBondContact O-N 3.31Å; A83-S87 VanDerWaalsContact O-N 3.1Å; D84-S87 WeakPolarHBondContact O-CB 3.48Å; D84-S87 PolarHBondContact O-N 2.94Å; D84-S87 VanDerWaalsContact O-N 3.09Å; S87-S89 VanDerWaalsContact C-N 3.35Å; S87-E90 PolarHBondContact O-N 3.3Å; S87-V91 WeakPolarHBondContact O-CG2 3.36Å; S87-V91 PolarHBondContact O-N 3.33Å; S87-V91 VanDerWaalsContact O-N 3.09Å
88L98.8Very high98.7Very high0 Ų042.1 Ų42.10%023%0.225CC..Hα-helixtrans-69.8-30.9178.4-69.7179.6000112.9M76 D84 A85 R86 E90 V91 A92 Y119 V120 F132 C134 F136M76-L88 HydrophobicContact CE-CB 4.08Å; D84-L88 PolarHBondContact O-N 3.1Å; A85-L88 PolarHBondContact O-N 3Å; R86-L88 VanDerWaalsContact C-N 3.31Å; R86-L88 PolarHBondContact O-N 3.29Å; L88-E90 VanDerWaalsContact C-N 3.33Å; L88-V91 PolarHBondContact O-N 3.33Å; L88-A92 WeakPolarHBondContact O-CB 3.48Å; L88-A92 PolarHBondContact O-N 2.82Å; L88-Y119 HydrophobicContact CD2-CD1 4.14Å; L88-Y119 HydrophobicContact CD2-CE1 4.37Å; L88-V120 HydrophobicContact CD1-CG2 3.89Å; L88-V120 HydrophobicContact CD2-CG2 3.75Å; L88-F132 HydrophobicContact CD1-CB 4.12Å; L88-F132 HydrophobicContact CD1-CD1 4.15Å; L88-F132 HydrophobicContact CD1-CD2 4.44Å; L88-F132 HydrophobicContact CD1-CG 3.98Å; L88-F132 HydrophobicContact CD2-CD1 4.1Å; L88-F132 HydrophobicContact CD2-CD2 4.04Å; L88-F132 HydrophobicContact CD2-CE1 3.94Å; L88-F132 HydrophobicContact CD2-CE2 3.86Å; L88-F132 HydrophobicContact CD2-CG 4.16Å; L88-F132 HydrophobicContact CD2-CZ 3.82Å; L88-F132 HydrophobicContact CG-CD1 3.98Å; L88-F132 HydrophobicContact CG-CE1 4.14Å; L88-F132 HydrophobicContact CG-CG 4.22Å; L88-C134 WeakPolarHBondContact CD1-SG 3.41Å; L88-F136 HydrophobicContact CD1-CD1 3.99Å; L88-F136 HydrophobicContact CD1-CE1 3.73Å
89S98.7Very high98.7Very high1 Ų143 Ų431%0.00723%0.228CC..Hα-helixtrans-68.2-33.417473.30000112.3A85 R86 S87 R93A85-S89 PolarHBondContact O-N 3.2Å; R86-S89 PolarHBondContact O-N 3.05Å; R86-S89 PolarHBondContact O-OG 3.21Å; S87-S89 VanDerWaalsContact C-N 3.35Å; S89-R93 WeakPolarHBondContact O-CD 3.37Å; S89-R93 VanDerWaalsContact O-CG 3.23Å; S89-R93 WeakPolarHBondContact O-CG 3.42Å; S89-R93 PolarHBondContact O-N 2.94Å
90E98.8Very high98.7Very high106 Ų10646.4 Ų46.450%0.49524%0.241SC..Hα-helixtrans-68.4-42.6170.5-62.5-52.5155.100112.5R86 S87 L88 A92 R93 E94R86-E90 PolarHBondContact O-N 3.03Å; R86-E90 VanDerWaalsContact O-N 3.15Å; S87-E90 PolarHBondContact O-N 3.3Å; L88-E90 VanDerWaalsContact C-N 3.33Å; E90-A92 VanDerWaalsContact C-N 3.3Å; E90-A92 PolarHBondContact O-N 2.92Å; E90-R93 WeakPolarHBondContact O-CB 3.45Å; E90-R93 PolarHBondContact O-N 2.85Å; E90-R93 IonicContact OE1-CZ 3.7Å; E90-R93 IonicContact OE1-NH1 3.51Å; E90-R93 PolarHBondContact OE1-NH1 3.04Å; E90-R93 WeakPolarHBondContact OE2-CD 3.47Å; E90-R93 IonicContact OE2-NH1 2.76Å; E90-E94 WeakPolarHBondContact O-CB 3.39Å; E90-E94 PolarHBondContact O-N 3.45Å
91V98.8Very high98.7Very high24 Ų2449.9 Ų49.915%0.14526%0.263CS..Hα-helixtrans-59-42.8174.3172.10000111S87 L88 E94 E95 Y119S87-V91 WeakPolarHBondContact O-CG2 3.36Å; S87-V91 PolarHBondContact O-N 3.33Å; S87-V91 VanDerWaalsContact O-N 3.09Å; L88-V91 PolarHBondContact O-N 3.33Å; V91-E94 PolarHBondContact O-N 3.45Å; V91-E95 PolarHBondContact O-N 3.01Å; V91-Y119 HydrophobicContact CG1-CD1 3.89Å; V91-Y119 HydrophobicContact CG1-CD2 4.06Å; V91-Y119 HydrophobicContact CG1-CE1 4.19Å; V91-Y119 HydrophobicContact CG1-CE2 4.34Å; V91-Y119 HydrophobicContact CG1-CG 3.82Å; V91-Y119 HydrophobicContact CG2-CD1 4.27Å; V91-Y119 HydrophobicContact CG2-CE1 3.75Å; V91-Y119 HydrophobicContact CG2-CE2 4.4Å
92A98.8Very high98.7Very high0 Ų051.8 Ų51.80%027%0.273CS..Hα-helixtrans-64.7-40.1176.800000112.5V70 L88 E90 A96 L112 V116V70-A92 HydrophobicContact CB-CB 4.03Å; V70-A92 HydrophobicContact CG1-CB 3.96Å; L88-A92 WeakPolarHBondContact O-CB 3.48Å; L88-A92 PolarHBondContact O-N 2.82Å; E90-A92 VanDerWaalsContact C-N 3.3Å; E90-A92 PolarHBondContact O-N 2.92Å; A92-A96 WeakPolarHBondContact O-CB 3.42Å; A92-A96 PolarHBondContact O-N 3.04Å; A92-L112 HydrophobicContact CB-CD1 4.47Å; A92-V116 HydrophobicContact CB-CG2 3.82Å
93R98.9Very high98.7Very high84 Ų8457.1 Ų57.132%0.31729%0.292SS..Hα-helixtrans-62.7-44.6174.5-76.9165.7179158.85.5111.9N69 V70 S89 E90 A96 S97N69-R93 PolarHBondContact O-NE 2.95Å; N69-R93 PolarHBondContact O-NH2 3.35Å; V70-R93 HydrophobicContact CB-CG 4.38Å; V70-R93 WeakPolarHBondContact O-CA 3.31Å; V70-R93 WeakPolarHBondContact O-CG 3.29Å; S89-R93 WeakPolarHBondContact O-CD 3.37Å; S89-R93 VanDerWaalsContact O-CG 3.23Å; S89-R93 WeakPolarHBondContact O-CG 3.42Å; S89-R93 PolarHBondContact O-N 2.94Å; E90-R93 WeakPolarHBondContact O-CB 3.45Å; E90-R93 PolarHBondContact O-N 2.85Å; E90-R93 IonicContact OE1-CZ 3.7Å; E90-R93 IonicContact OE1-NH1 3.51Å; E90-R93 PolarHBondContact OE1-NH1 3.04Å; E90-R93 WeakPolarHBondContact OE2-CD 3.47Å; E90-R93 IonicContact OE2-NH1 2.76Å; R93-A96 PolarHBondContact O-N 2.9Å; R93-S97 VanDerWaalsContact O-CB 3.29Å; R93-S97 WeakPolarHBondContact O-CB 3.17Å; R93-S97 PolarHBondContact O-N 2.84Å
94E98.8Very high98.6Very high122 Ų12257.4 Ų57.457%0.5730%0.301SS*.Hα-helixtrans-62.7-47.5178.9-175.5176.8-179.500110.8E90 V91 A96 S97 N98E90-E94 WeakPolarHBondContact O-CB 3.39Å; E90-E94 PolarHBondContact O-N 3.45Å; V91-E94 PolarHBondContact O-N 3.45Å; E94-A96 PolarHBondContact O-N 3Å; E94-S97 PolarHBondContact O-N 2.78Å; E94-N98 WeakPolarHBondContact O-CB 3.34Å; E94-N98 PolarHBondContact O-N 2.98Å; E94-N98 PolarHBondContact O-ND2 3.01Å
95E98.8Very high98.5Very high37 Ų3761.6 Ų61.617%0.17332%0.32CS..Hα-helixtrans-60.8-44.7177.4-175.368.9-155.300111.7V91 S97 N98 F99 I107 L112 R115V91-E95 PolarHBondContact O-N 3.01Å; E95-S97 PolarHBondContact O-N 2.93Å; E95-N98 PolarHBondContact O-N 3.39Å; E95-F99 WeakPolarHBondContact O-CB 3.16Å; E95-F99 PolarHBondContact O-N 3.19Å; E95-I107 HydrophobicContact CG-CD1 4.28Å; E95-L112 HydrophobicContact CB-CD1 4.15Å; E95-L112 HydrophobicContact CG-CD1 4.16Å; E95-R115 HydrophobicContact CG-CB 3.75Å; E95-R115 HydrophobicContact CG-CG 4.24Å; E95-R115 WeakPolarHBondContact OE1-CG 3.24Å; E95-R115 IonicContact OE1-CZ 2.83Å; E95-R115 IonicContact OE1-NE 2.72Å; E95-R115 PolarHBondContact OE1-NE 2.8Å; E95-R115 IonicContact OE1-NH2 3.64Å; E95-R115 IonicContact OE2-CZ 2.69Å; E95-R115 IonicContact OE2-NE 2.73Å; E95-R115 IonicContact OE2-NH2 3.77Å; E95-R115 PolarHBondContact OE2-NH2 2.72Å; E95-R115 VanDerWaalsContact OE2-NH2 3.09Å
96A98.7Very high98.5Very high1 Ų165.2 Ų65.21%0.00834%0.339CS..Hα-helixtrans-62.4-42176.500000112.5D71 A92 R93 E94 R100 I107 L112D71-A96 HydrophobicContact CB-CB 4.07Å; A92-A96 WeakPolarHBondContact O-CB 3.42Å; A92-A96 PolarHBondContact O-N 3.04Å; R93-A96 PolarHBondContact O-N 2.9Å; E94-A96 PolarHBondContact O-N 3Å; A96-R100 PolarHBondContact O-N 3.5Å; A96-R100 VanDerWaalsContact O-N 3.07Å; A96-I107 HydrophobicContact CB-CG2 3.79Å; A96-L112 HydrophobicContact CB-CD1 4.39Å
97S98.8Very high98.5Very high60 Ų6060.1 Ų60.142%0.4232%0.32SS..Hα-helixtrans-65.4-44.5176.9-176.90000112.1R93 E94 E95 R100 S101R93-S97 VanDerWaalsContact O-CB 3.29Å; R93-S97 WeakPolarHBondContact O-CB 3.17Å; R93-S97 PolarHBondContact O-N 2.84Å; E94-S97 PolarHBondContact O-N 2.78Å; E95-S97 PolarHBondContact O-N 2.93Å; S97-R100 PolarHBondContact O-N 2.91Å; S97-S101 WeakPolarHBondContact O-CB 3.47Å; S97-S101 PolarHBondContact O-N 2.93Å; S97-S101 PolarHBondContact O-OG 2.98Å
98N98.7Very high98.4Very high69 Ų6959.4 Ų59.437%0.36931%0.314SS..Hα-helixtrans-63.6-43.4177.8-72.6-18.5000111E94 E95 R100 S101 N102E94-N98 WeakPolarHBondContact O-CB 3.34Å; E94-N98 PolarHBondContact O-N 2.98Å; E94-N98 PolarHBondContact O-ND2 3.01Å; E95-N98 PolarHBondContact O-N 3.39Å; N98-R100 PolarHBondContact O-N 2.89Å; N98-S101 PolarHBondContact O-N 2.81Å; N98-N102 WeakPolarHBondContact O-CB 3.49Å; N98-N102 VanDerWaalsContact O-CG 3.26Å; N98-N102 PolarHBondContact O-N 2.91Å; N98-N102 PolarHBondContact O-ND2 3.07Å
99F98.8Very high98.4Very high19 Ų1959.4 Ų59.48%0.08331%0.314CS..Hα-helixtrans-58.2-50.4175.3-174.8-79.6000111.4E95 S101 N102 Y103 H105 I107 H111E95-F99 WeakPolarHBondContact O-CB 3.16Å; E95-F99 PolarHBondContact O-N 3.19Å; F99-S101 VanDerWaalsContact C-N 3.28Å; F99-S101 PolarHBondContact O-N 2.84Å; F99-N102 PolarHBondContact O-N 2.9Å; F99-Y103 HydrophobicContact CB-CD2 4.43Å; F99-Y103 HydrophobicContact CD1-CD2 4.01Å; F99-Y103 AromaticContact CD2-CD2 3.46Å; F99-Y103 HydrophobicContact CD2-CD2 3.46Å; F99-Y103 VanDerWaalsContact CD2-CD2 3.46Å; F99-Y103 AromaticContact CD2-CE2 3.68Å; F99-Y103 HydrophobicContact CD2-CE2 3.68Å; F99-Y103 HydrophobicContact CE1-CD2 4.03Å; F99-Y103 HydrophobicContact CE1-CG 4.37Å; F99-Y103 AromaticContact CE2-CD2 3.5Å; F99-Y103 HydrophobicContact CE2-CD2 3.5Å; F99-Y103 AromaticContact CE2-CE2 3.79Å; F99-Y103 HydrophobicContact CE2-CE2 3.79Å; F99-Y103 HydrophobicContact CE2-CG 4.28Å; F99-Y103 AromaticContact CG-CD2 3.72Å; F99-Y103 HydrophobicContact CG-CD2 3.72Å; F99-Y103 HydrophobicContact CG-CE2 4.3Å; F99-Y103 AromaticContact CZ-CD2 3.79Å; F99-Y103 HydrophobicContact CZ-CD2 3.79Å; F99-Y103 HydrophobicContact CZ-CE2 4.49Å; F99-Y103 HydrophobicContact CZ-CG 4.17Å; F99-Y103 WeakPolarHBondContact O-CB 3.5Å; F99-Y103 VanDerWaalsContact O-CD2 3.3Å; F99-Y103 WeakPolarHBondContact O-CD2 3.36Å; F99-Y103 PolarHBondContact O-N 3.3Å; F99-H105 AromaticContact CE1-CE1 3.43Å; F99-H105 VanDerWaalsContact CE1-CE1 3.43Å; F99-H105 WeakPolarHBondContact CE1-CE1 3.48Å; F99-H105 AromaticContact CE1-ND1 3.74Å; F99-H105 AromaticContact CE1-NE2 3.94Å; F99-H105 AromaticContact CZ-CE1 3.66Å; F99-I107 HydrophobicContact CB-CB 4.01Å; F99-I107 HydrophobicContact CB-CD1 3.7Å; F99-I107 HydrophobicContact CB-CG1 3.97Å; F99-I107 VanDerWaalsContact CD1-CA 3.49Å; F99-I107 HydrophobicContact CD1-CB 3.62Å; F99-I107 HydrophobicContact CD1-CG1 3.9Å; F99-I107 HydrophobicContact CD2-CB 4.38Å; F99-I107 HydrophobicContact CD2-CD1 3.91Å; F99-I107 HydrophobicContact CD2-CG1 3.73Å; F99-I107 HydrophobicContact CE1-CB 4.22Å; F99-I107 HydrophobicContact CE1-CG1 4.36Å; F99-I107 HydrophobicContact CE2-CG1 4.19Å; F99-I107 HydrophobicContact CG-CB 3.73Å; F99-I107 HydrophobicContact CG-CD1 3.8Å; F99-I107 HydrophobicContact CG-CG1 3.57Å; F99-I107 HydrophobicContact CZ-CG1 4.5Å; F99-H111 AromaticContact CD2-CD2 3.53Å; F99-H111 AromaticContact CD2-NE2 3.84Å; F99-H111 AromaticContact CE2-CD2 3.54Å; F99-H111 AromaticContact CE2-NE2 3.94Å
100R98.3Very high98.4Very high73 Ų7364.4 Ų64.428%0.27534%0.336SS..Hα-helixtrans-59.9-39.9177.9-176-175.5-70.4129.2-0.3112D71 A96 S97 N98 N102 G104 H105 N106D71-R100 IonicContact OD1-CZ 3.46Å; D71-R100 IonicContact OD1-NH1 3.22Å; D71-R100 PolarHBondContact OD1-NH1 2.69Å; D71-R100 IonicContact OD1-NH2 2.78Å; D71-R100 PolarHBondContact OD1-NH2 3.15Å; D71-R100 IonicContact OD2-CZ 3.56Å; D71-R100 IonicContact OD2-NH1 3.8Å; D71-R100 IonicContact OD2-NH2 2.83Å; D71-R100 PolarHBondContact OD2-NH2 3.34Å; A96-R100 PolarHBondContact O-N 3.5Å; A96-R100 VanDerWaalsContact O-N 3.07Å; S97-R100 PolarHBondContact O-N 2.91Å; N98-R100 PolarHBondContact O-N 2.89Å; R100-N102 VanDerWaalsContact C-N 3.33Å; R100-N102 PolarHBondContact O-N 2.85Å; R100-G104 VanDerWaalsContact O-CA 3.26Å; R100-G104 WeakPolarHBondContact O-CA 3.36Å; R100-G104 PolarHBondContact O-N 3.27Å; R100-H105 WeakPolarHBondContact CA-O 3.41Å; R100-N106 PolarHBondContact NE-OD1 3.42Å; R100-N106 PolarHBondContact NH2-OD1 3.11Å
101S98.6Very high98.4Very high90 Ų9062.4 Ų62.463%0.62933%0.326SS*.Hα-helixtrans-65.9-36.6179.6-580000112.3S97 N98 F99S97-S101 WeakPolarHBondContact O-CB 3.47Å; S97-S101 PolarHBondContact O-N 2.93Å; S97-S101 PolarHBondContact O-OG 2.98Å; N98-S101 PolarHBondContact O-N 2.81Å; F99-S101 VanDerWaalsContact C-N 3.28Å; F99-S101 PolarHBondContact O-N 2.84Å
102N98.5Very high98.4Very high123 Ų12361.2 Ų61.266%0.65832%0.319SS*.Hα-helixtrans-85.6-38-177.1-68-26.3000113.3N98 F99 R100N98-N102 WeakPolarHBondContact O-CB 3.49Å; N98-N102 VanDerWaalsContact O-CG 3.26Å; N98-N102 PolarHBondContact O-N 2.91Å; N98-N102 PolarHBondContact O-ND2 3.07Å; F99-N102 PolarHBondContact O-N 2.9Å; R100-N102 VanDerWaalsContact C-N 3.33Å; R100-N102 PolarHBondContact O-N 2.85Å
103Y98.1Very high98.4Very high148 Ų14861.2 Ų61.258%0.5832%0.319SS*.Hα-helixtrans-110.2-9.4-171.3-57.5-71.5000113.9F99 H105F99-Y103 HydrophobicContact CB-CD2 4.43Å; F99-Y103 HydrophobicContact CD1-CD2 4.01Å; F99-Y103 AromaticContact CD2-CD2 3.46Å; F99-Y103 HydrophobicContact CD2-CD2 3.46Å; F99-Y103 VanDerWaalsContact CD2-CD2 3.46Å; F99-Y103 AromaticContact CD2-CE2 3.68Å; F99-Y103 HydrophobicContact CD2-CE2 3.68Å; F99-Y103 HydrophobicContact CE1-CD2 4.03Å; F99-Y103 HydrophobicContact CE1-CG 4.37Å; F99-Y103 AromaticContact CE2-CD2 3.5Å; F99-Y103 HydrophobicContact CE2-CD2 3.5Å; F99-Y103 AromaticContact CE2-CE2 3.79Å; F99-Y103 HydrophobicContact CE2-CE2 3.79Å; F99-Y103 HydrophobicContact CE2-CG 4.28Å; F99-Y103 AromaticContact CG-CD2 3.72Å; F99-Y103 HydrophobicContact CG-CD2 3.72Å; F99-Y103 HydrophobicContact CG-CE2 4.3Å; F99-Y103 AromaticContact CZ-CD2 3.79Å; F99-Y103 HydrophobicContact CZ-CD2 3.79Å; F99-Y103 HydrophobicContact CZ-CE2 4.49Å; F99-Y103 HydrophobicContact CZ-CG 4.17Å; F99-Y103 WeakPolarHBondContact O-CB 3.5Å; F99-Y103 VanDerWaalsContact O-CD2 3.3Å; F99-Y103 WeakPolarHBondContact O-CD2 3.36Å; F99-Y103 PolarHBondContact O-N 3.3Å; Y103-H105 VanDerWaalsContact C-N 3.31Å; Y103-H105 PolarHBondContact O-CD2 3.27Å; Y103-H105 PolarHBondContact O-N 3.01Å
104G97.8Very high98.4Very high68 Ų6861.4 Ų61.470%0.70132%0.324SS*.SBendtrans77.95.9171.900000115.9R100R100-G104 VanDerWaalsContact O-CA 3.26Å; R100-G104 WeakPolarHBondContact O-CA 3.36Å; R100-G104 PolarHBondContact O-N 3.27Å
105H96.9Very high98.4Very high102 Ų10260.2 Ų60.247%0.47231%0.314SS..SBendtrans-139.6172.817766.986.8000112.1F99 R100 Y103F99-H105 AromaticContact CE1-CE1 3.43Å; F99-H105 VanDerWaalsContact CE1-CE1 3.43Å; F99-H105 WeakPolarHBondContact CE1-CE1 3.48Å; F99-H105 AromaticContact CE1-ND1 3.74Å; F99-H105 AromaticContact CE1-NE2 3.94Å; F99-H105 AromaticContact CZ-CE1 3.66Å; R100-H105 WeakPolarHBondContact CA-O 3.41Å; Y103-H105 VanDerWaalsContact C-N 3.31Å; Y103-H105 PolarHBondContact O-CD2 3.27Å; Y103-H105 PolarHBondContact O-N 3.01Å
106N97.5Very high98.4Very high77 Ų7758.5 Ų58.541%0.41231%0.306SS..PPolyproline II helixtrans-64.7142.6178.2-73.2-13.8000111.3R100R100-N106 PolarHBondContact NE-OD1 3.42Å; R100-N106 PolarHBondContact NH2-OD1 3.11Å
107I98.4Very high98.4Very high1 Ų158.7 Ų58.71%0.00531%0.307CS..PPolyproline II helixtrans-68.7130179.2-167169.3000110.9H73 E95 A96 F99 H111 L112H73-I107 PolarHBondContact NE2-O 3.49Å; E95-I107 HydrophobicContact CG-CD1 4.28Å; A96-I107 HydrophobicContact CB-CG2 3.79Å; F99-I107 HydrophobicContact CB-CB 4.01Å; F99-I107 HydrophobicContact CB-CD1 3.7Å; F99-I107 HydrophobicContact CB-CG1 3.97Å; F99-I107 VanDerWaalsContact CD1-CA 3.49Å; F99-I107 HydrophobicContact CD1-CB 3.62Å; F99-I107 HydrophobicContact CD1-CG1 3.9Å; F99-I107 HydrophobicContact CD2-CB 4.38Å; F99-I107 HydrophobicContact CD2-CD1 3.91Å; F99-I107 HydrophobicContact CD2-CG1 3.73Å; F99-I107 HydrophobicContact CE1-CB 4.22Å; F99-I107 HydrophobicContact CE1-CG1 4.36Å; F99-I107 HydrophobicContact CE2-CG1 4.19Å; F99-I107 HydrophobicContact CG-CB 3.73Å; F99-I107 HydrophobicContact CG-CD1 3.8Å; F99-I107 HydrophobicContact CG-CG1 3.57Å; F99-I107 HydrophobicContact CZ-CG1 4.5Å; I107-H111 HydrophobicContact CG1-CB 4.38Å; I107-L112 HydrophobicContact CD1-CB 3.81Å; I107-L112 HydrophobicContact CD1-CD1 3.98Å; I107-L112 HydrophobicContact CD1-CG 4.45Å; I107-L112 HydrophobicContact CG1-CB 4.15Å; I107-L112 HydrophobicContact CG2-CB 4.18Å; I107-L112 HydrophobicContact CG2-CD2 4.21Å
108P98.3Very high98.4Very high43 Ų4361.6 Ų61.628%0.27932%0.316SS..PPolyproline II helixtrans-62.9137.8169.8-22.934.1000110.8K110 H111 L112P108-K110 VanDerWaalsContact C-N 3.32Å; P108-K110 PolarHBondContact O-N 2.83Å; P108-H111 HydrophobicContact CB-CB 4.42Å; P108-H111 WeakPolarHBondContact O-CB 3.46Å; P108-H111 PolarHBondContact O-N 2.89Å; P108-L112 PolarHBondContact O-N 3.21Å
109L98.6Very high98.4Very high0 Ų062.4 Ų62.40%031%0.314CS..Hα-helixtrans-61.2-40.7-173.4-173.868.7000112.6V74 H111 L112 S113 L138 S140 Q148 Y150V74-L109 HydrophobicContact CB-CD1 4.48Å; V74-L109 HydrophobicContact CG1-CD1 3.47Å; V74-L109 VanDerWaalsContact CG1-CD1 3.47Å; V74-L109 HydrophobicContact CG2-CD1 4.18Å; L109-H111 VanDerWaalsContact C-N 3.25Å; L109-H111 PolarHBondContact O-N 2.73Å; L109-L112 PolarHBondContact O-N 3.37Å; L109-S113 WeakPolarHBondContact O-CB 3.32Å; L109-S113 PolarHBondContact O-N 3.48Å; L109-S113 PolarHBondContact O-OG 3.12Å; L109-L138 HydrophobicContact CD1-CB 3.84Å; L109-S140 VanDerWaalsContact CB-OG 3.27Å; L109-S140 WeakPolarHBondContact CB-OG 3.26Å; L109-S140 WeakPolarHBondContact CD2-OG 3.25Å; L109-Q148 HydrophobicContact CB-CB 4.33Å; L109-Q148 HydrophobicContact CD2-CB 3.56Å; L109-Q148 VanDerWaalsContact CD2-O 3.22Å; L109-Q148 WeakPolarHBondContact CD2-O 3.41Å; L109-Y150 HydrophobicContact CD2-CD2 3.8Å; L109-Y150 HydrophobicContact CD2-CE2 4.45Å; L109-Y150 HydrophobicContact CG-CD2 4.05Å
110K98.4Very high98.4Very high106 Ų10661.5 Ų61.546%0.46131%0.311SS..Hα-helixtrans-55.2-42.6175-179.3178.9174.9-174.70112P108 S113 E114 Y150P108-K110 VanDerWaalsContact C-N 3.32Å; P108-K110 PolarHBondContact O-N 2.83Å; K110-S113 PolarHBondContact O-OG 3.46Å; K110-E114 WeakPolarHBondContact CE-OE1 3.41Å; K110-E114 WeakPolarHBondContact O-CB 3.29Å; K110-E114 VanDerWaalsContact O-CG 3.29Å; K110-E114 WeakPolarHBondContact O-CG 3.22Å; K110-E114 PolarHBondContact O-N 3.13Å; K110-Y150 HydrophobicContact CB-CE2 4.14Å; K110-Y150 WeakPolarHBondContact CB-OH 3.41Å; K110-Y150 HydrophobicContact CG-CE1 4.37Å; K110-Y150 WeakPolarHBondContact CG-OH 3.44Å
111H98.4Very high98.4Very high63 Ų6362.2 Ų62.229%0.29232%0.317SS..Hα-helixtrans-68.1-46.1178.9-172.263.3000110.8F99 I107 P108 L109 S113 E114 R115F99-H111 AromaticContact CD2-CD2 3.53Å; F99-H111 AromaticContact CD2-NE2 3.84Å; F99-H111 AromaticContact CE2-CD2 3.54Å; F99-H111 AromaticContact CE2-NE2 3.94Å; I107-H111 HydrophobicContact CG1-CB 4.38Å; P108-H111 HydrophobicContact CB-CB 4.42Å; P108-H111 WeakPolarHBondContact O-CB 3.46Å; P108-H111 PolarHBondContact O-N 2.89Å; L109-H111 VanDerWaalsContact C-N 3.25Å; L109-H111 PolarHBondContact O-N 2.73Å; H111-S113 VanDerWaalsContact C-N 3.32Å; H111-S113 PolarHBondContact O-N 3.44Å; H111-E114 PolarHBondContact O-N 3.42Å; H111-R115 WeakPolarHBondContact O-CB 3.46Å; H111-R115 WeakPolarHBondContact O-CG 3.44Å; H111-R115 PolarHBondContact O-N 3.16Å
112L98.8Very high98.4Very high0 Ų059.9 Ų59.90%030%0.303CS..Hα-helixtrans-57.5-45175.9-178.561.6000111.6V70 V74 A92 E95 A96 I107 P108 L109 R115 V116 L138V70-L112 HydrophobicContact CG2-CD2 4.02Å; V74-L112 HydrophobicContact CB-CD2 4.46Å; V74-L112 HydrophobicContact CG1-CD2 3.99Å; V74-L112 HydrophobicContact CG2-CD2 4.28Å; A92-L112 HydrophobicContact CB-CD1 4.47Å; E95-L112 HydrophobicContact CB-CD1 4.15Å; E95-L112 HydrophobicContact CG-CD1 4.16Å; A96-L112 HydrophobicContact CB-CD1 4.39Å; I107-L112 HydrophobicContact CD1-CB 3.81Å; I107-L112 HydrophobicContact CD1-CD1 3.98Å; I107-L112 HydrophobicContact CD1-CG 4.45Å; I107-L112 HydrophobicContact CG1-CB 4.15Å; I107-L112 HydrophobicContact CG2-CB 4.18Å; I107-L112 HydrophobicContact CG2-CD2 4.21Å; P108-L112 PolarHBondContact O-N 3.21Å; L109-L112 PolarHBondContact O-N 3.37Å; L112-R115 PolarHBondContact O-N 3.48Å; L112-V116 HydrophobicContact CD1-CG2 3.95Å; L112-V116 HydrophobicContact CG-CG2 4.44Å; L112-V116 VanDerWaalsContact O-CG2 3.31Å; L112-V116 WeakPolarHBondContact O-CG2 3.39Å; L112-V116 PolarHBondContact O-N 2.81Å; L112-L138 HydrophobicContact CG-CD1 4.41Å
113S98.6Very high98.4Very high0 Ų057.3 Ų57.30%028%0.284CS..Hα-helixtrans-63.9-43.6-179.666.30000111.9L109 K110 H111 A117 Y150L109-S113 WeakPolarHBondContact O-CB 3.32Å; L109-S113 PolarHBondContact O-N 3.48Å; L109-S113 PolarHBondContact O-OG 3.12Å; K110-S113 PolarHBondContact O-OG 3.46Å; H111-S113 VanDerWaalsContact C-N 3.32Å; H111-S113 PolarHBondContact O-N 3.44Å; S113-A117 WeakPolarHBondContact O-CB 3.4Å; S113-A117 PolarHBondContact O-N 3.17Å; S113-Y150 WeakPolarHBondContact OG-CD1 3.4Å
114E98.6Very high98.5Very high87 Ų8750.9 Ų50.941%0.40726%0.26SS..Hα-helixtrans-63.2-43.3176.4-73.7170.7179.600111.6K110 H111 A117 M118K110-E114 WeakPolarHBondContact CE-OE1 3.41Å; K110-E114 WeakPolarHBondContact O-CB 3.29Å; K110-E114 VanDerWaalsContact O-CG 3.29Å; K110-E114 WeakPolarHBondContact O-CG 3.22Å; K110-E114 PolarHBondContact O-N 3.13Å; H111-E114 PolarHBondContact O-N 3.42Å; E114-A117 PolarHBondContact O-N 3.01Å; E114-M118 VanDerWaalsContact O-CG 3.3Å; E114-M118 WeakPolarHBondContact O-CG 3.46Å; E114-M118 PolarHBondContact O-N 3.25Å
115R98.8Very high98.5Very high98 Ų9851.3 Ų51.337%0.3725%0.246SC..Hα-helixtrans-65.2-46.8-179.4-68.6-67.9-62.2149.910.4112.4E95 H111 L112 M118 Y119E95-R115 HydrophobicContact CG-CB 3.75Å; E95-R115 HydrophobicContact CG-CG 4.24Å; E95-R115 WeakPolarHBondContact OE1-CG 3.24Å; E95-R115 IonicContact OE1-CZ 2.83Å; E95-R115 IonicContact OE1-NE 2.72Å; E95-R115 PolarHBondContact OE1-NE 2.8Å; E95-R115 IonicContact OE1-NH2 3.64Å; E95-R115 IonicContact OE2-CZ 2.69Å; E95-R115 IonicContact OE2-NE 2.73Å; E95-R115 IonicContact OE2-NH2 3.77Å; E95-R115 PolarHBondContact OE2-NH2 2.72Å; E95-R115 VanDerWaalsContact OE2-NH2 3.09Å; H111-R115 WeakPolarHBondContact O-CB 3.46Å; H111-R115 WeakPolarHBondContact O-CG 3.44Å; H111-R115 PolarHBondContact O-N 3.16Å; L112-R115 PolarHBondContact O-N 3.48Å; R115-M118 PolarHBondContact O-N 3.28Å; R115-Y119 PolarHBondContact O-N 3.36Å; R115-Y119 VanDerWaalsContact O-N 3.11Å
116V98.8Very high98.5Very high1 Ų153.5 Ų53.51%0.00625%0.251CS..Hα-helixtrans-68.9-37177.2-175.80000110.6A92 L112 M118 Y119 V120 F136A92-V116 HydrophobicContact CB-CG2 3.82Å; L112-V116 HydrophobicContact CD1-CG2 3.95Å; L112-V116 HydrophobicContact CG-CG2 4.44Å; L112-V116 VanDerWaalsContact O-CG2 3.31Å; L112-V116 WeakPolarHBondContact O-CG2 3.39Å; L112-V116 PolarHBondContact O-N 2.81Å; V116-M118 PolarHBondContact O-N 2.8Å; V116-Y119 WeakPolarHBondContact O-CB 3.38Å; V116-Y119 PolarHBondContact O-N 3.32Å; V116-V120 WeakPolarHBondContact O-CG2 3.48Å; V116-V120 PolarHBondContact O-N 3.23Å; V116-F136 HydrophobicContact CB-CZ 4.27Å; V116-F136 HydrophobicContact CG1-CE1 4.31Å; V116-F136 HydrophobicContact CG1-CE2 4.11Å; V116-F136 HydrophobicContact CG1-CZ 3.48Å; V116-F136 VanDerWaalsContact CG1-CZ 3.48Å
117A98.8Very high98.5Very high4 Ų454.1 Ų54.13%0.03326%0.262CS..Hα-helixtrans-63.5-40.4175.600000112.6S113 E114 Y119 V120 H121 V152 G156S113-A117 WeakPolarHBondContact O-CB 3.4Å; S113-A117 PolarHBondContact O-N 3.17Å; E114-A117 PolarHBondContact O-N 3.01Å; A117-Y119 VanDerWaalsContact C-N 3.32Å; A117-Y119 PolarHBondContact O-N 3.07Å; A117-V120 PolarHBondContact O-N 3.21Å; A117-H121 WeakPolarHBondContact O-CB 3.41Å; A117-H121 PolarHBondContact O-N 3.38Å; A117-V152 HydrophobicContact CB-CG1 3.81Å; A117-V152 HydrophobicContact CB-CG2 4.03Å; A117-G156 WeakPolarHBondContact CB-O 3.18Å; A117-G156 WeakPolarHBondContact O-CA 3.42Å
118M98.8Very high98.5Very high122 Ų12258.6 Ų58.660%0.60130%0.299SS*.Hα-helixtrans-61.8-39.6171.9-74.5-179.271.500112.3E114 R115 V116 H121 A122E114-M118 VanDerWaalsContact O-CG 3.3Å; E114-M118 WeakPolarHBondContact O-CG 3.46Å; E114-M118 PolarHBondContact O-N 3.25Å; R115-M118 PolarHBondContact O-N 3.28Å; V116-M118 PolarHBondContact O-N 2.8Å; M118-H121 PolarHBondContact O-N 2.95Å; M118-A122 PolarHBondContact O-N 2.77Å; M118-A122 VanDerWaalsContact O-N 3.09Å
119Y98.8Very high98.5Very high85 Ų8559.3 Ų59.333%0.33330%0.302SS..Hα-helixtrans-62.4-44.5174.5-175-86.5000111.5L88 V91 R115 V116 A117 A122 Y123 F132L88-Y119 HydrophobicContact CD2-CD1 4.14Å; L88-Y119 HydrophobicContact CD2-CE1 4.37Å; V91-Y119 HydrophobicContact CG1-CD1 3.89Å; V91-Y119 HydrophobicContact CG1-CD2 4.06Å; V91-Y119 HydrophobicContact CG1-CE1 4.19Å; V91-Y119 HydrophobicContact CG1-CE2 4.34Å; V91-Y119 HydrophobicContact CG1-CG 3.82Å; V91-Y119 HydrophobicContact CG2-CD1 4.27Å; V91-Y119 HydrophobicContact CG2-CE1 3.75Å; V91-Y119 HydrophobicContact CG2-CE2 4.4Å; R115-Y119 PolarHBondContact O-N 3.36Å; R115-Y119 VanDerWaalsContact O-N 3.11Å; V116-Y119 WeakPolarHBondContact O-CB 3.38Å; V116-Y119 PolarHBondContact O-N 3.32Å; A117-Y119 VanDerWaalsContact C-N 3.32Å; A117-Y119 PolarHBondContact O-N 3.07Å; Y119-A122 PolarHBondContact O-N 2.85Å; Y119-Y123 HydrophobicContact CD1-CE2 4.28Å; Y119-Y123 HydrophobicContact CE1-CD2 4.32Å; Y119-Y123 AromaticContact CE1-CE2 3.63Å; Y119-Y123 HydrophobicContact CE1-CE2 3.63Å; Y119-Y123 HydrophobicContact CE2-CE2 4.43Å; Y119-Y123 AromaticContact CZ-CE2 3.72Å; Y119-Y123 WeakPolarHBondContact O-CD2 3.33Å; Y119-Y123 PolarHBondContact OH-OH 3.11Å; Y119-Y123 VanDerWaalsContact OH-OH 3.12Å; Y119-F132 HydrophobicContact CD1-CE2 4.2Å; Y119-F132 HydrophobicContact CD1-CZ 4.42Å; Y119-F132 AromaticContact CE1-CE2 4Å; Y119-F132 HydrophobicContact CE1-CE2 4Å; Y119-F132 AromaticContact CE1-CZ 3.81Å; Y119-F132 HydrophobicContact CE1-CZ 3.81Å
120V98.8Very high98.5Very high1 Ų165.2 Ų65.21%0.00633%0.325CS..Hα-helixtrans-60.8-45.7174.6172.50000111L88 V116 A117 A122 Y123 F132 F136L88-V120 HydrophobicContact CD1-CG2 3.89Å; L88-V120 HydrophobicContact CD2-CG2 3.75Å; V116-V120 WeakPolarHBondContact O-CG2 3.48Å; V116-V120 PolarHBondContact O-N 3.23Å; A117-V120 PolarHBondContact O-N 3.21Å; V120-A122 VanDerWaalsContact C-N 3.28Å; V120-A122 PolarHBondContact O-N 3.15Å; V120-Y123 WeakPolarHBondContact O-CB 3.23Å; V120-Y123 PolarHBondContact O-N 3.28Å; V120-Y123 VanDerWaalsContact O-N 3.08Å; V120-F132 HydrophobicContact CB-CD2 4.41Å; V120-F132 HydrophobicContact CG1-CD2 4.26Å; V120-F132 HydrophobicContact CG2-CD2 4.2Å; V120-F136 HydrophobicContact CG2-CE1 4.17Å
121H98.9Very high98.5Very high87 Ų8760.3 Ų60.340%0.40330%0.304SS..Hα-helixtrans-57.9-39179.6-17959.7000112.5A117 M118 Y123 T124 S155A117-H121 WeakPolarHBondContact O-CB 3.41Å; A117-H121 PolarHBondContact O-N 3.38Å; M118-H121 PolarHBondContact O-N 2.95Å; H121-Y123 PolarHBondContact O-N 2.89Å; H121-Y123 VanDerWaalsContact O-N 3.1Å; H121-T124 PolarHBondContact ND1-OG1 2.99Å; H121-T124 WeakPolarHBondContact O-CB 3.48Å; H121-T124 PolarHBondContact O-N 2.84Å; H121-T124 PolarHBondContact O-OG1 3.09Å; H121-S155 PolarHBondContact ND1-O 3.1Å
122A98.7Very high98.5Very high41 Ų4158 Ų5834%0.33929%0.293SS..Hα-helixtrans-57.9-27.7178.700000113.2M118 Y119 V120 T124 Y126M118-A122 PolarHBondContact O-N 2.77Å; M118-A122 VanDerWaalsContact O-N 3.09Å; Y119-A122 PolarHBondContact O-N 2.85Å; V120-A122 VanDerWaalsContact C-N 3.28Å; V120-A122 PolarHBondContact O-N 3.15Å; A122-T124 PolarHBondContact O-N 2.91Å; A122-Y126 WeakPolarHBondContact O-CD2 3.33Å
123Y98.7Very high98.5Very high70 Ų7058.2 Ų58.228%0.27530%0.295SS..THydrogen-bonded Turntrans-80.41.9177-79.3-111000113.9Y119 V120 H121 V129 R130 F132Y119-Y123 HydrophobicContact CD1-CE2 4.28Å; Y119-Y123 HydrophobicContact CE1-CD2 4.32Å; Y119-Y123 AromaticContact CE1-CE2 3.63Å; Y119-Y123 HydrophobicContact CE1-CE2 3.63Å; Y119-Y123 HydrophobicContact CE2-CE2 4.43Å; Y119-Y123 AromaticContact CZ-CE2 3.72Å; Y119-Y123 WeakPolarHBondContact O-CD2 3.33Å; Y119-Y123 PolarHBondContact OH-OH 3.11Å; Y119-Y123 VanDerWaalsContact OH-OH 3.12Å; V120-Y123 WeakPolarHBondContact O-CB 3.23Å; V120-Y123 PolarHBondContact O-N 3.28Å; V120-Y123 VanDerWaalsContact O-N 3.08Å; H121-Y123 PolarHBondContact O-N 2.89Å; H121-Y123 VanDerWaalsContact O-N 3.1Å; Y123-V129 HydrophobicContact CD1-CB 3.83Å; Y123-V129 HydrophobicContact CD1-CG1 4.32Å; Y123-V129 HydrophobicContact CD1-CG2 3.93Å; Y123-V129 HydrophobicContact CE1-CB 4.19Å; Y123-V129 HydrophobicContact CE1-CG1 4.19Å; Y123-V129 HydrophobicContact CG-CG2 4.25Å; Y123-R130 CarbonylContact O-C 3.53Å; Y123-F132 AromaticContact CD1-CE2 3.8Å; Y123-F132 HydrophobicContact CD1-CE2 3.8Å; Y123-F132 AromaticContact CD1-CZ 3.96Å; Y123-F132 HydrophobicContact CD1-CZ 3.96Å; Y123-F132 HydrophobicContact CD2-CD2 4.46Å; Y123-F132 AromaticContact CD2-CE2 3.49Å; Y123-F132 HydrophobicContact CD2-CE2 3.49Å; Y123-F132 VanDerWaalsContact CD2-CE2 3.49Å; Y123-F132 HydrophobicContact CD2-CZ 4.07Å; Y123-F132 HydrophobicContact CE1-CE2 4.17Å; Y123-F132 AromaticContact CE1-CZ 3.9Å; Y123-F132 HydrophobicContact CE1-CZ 3.9Å; Y123-F132 AromaticContact CE2-CE2 3.88Å; Y123-F132 HydrophobicContact CE2-CE2 3.88Å; Y123-F132 AromaticContact CE2-CZ 4Å; Y123-F132 HydrophobicContact CE2-CZ 4Å; Y123-F132 HydrophobicContact CG-CD2 4.11Å; Y123-F132 AromaticContact CG-CE2 3.44Å; Y123-F132 HydrophobicContact CG-CE2 3.44Å; Y123-F132 VanDerWaalsContact CG-CE2 3.44Å; Y123-F132 HydrophobicContact CG-CZ 4.04Å; Y123-F132 AromaticContact CZ-CZ 3.92Å
124T98.6Very high98.5Very high12 Ų1258.2 Ų58.27%0.07430%0.296CS..THydrogen-bonded Turntrans-102.5-1178.973.80000113.5A12 V24 H121 A122 P131 P154A12-T124 WeakPolarHBondContact CB-O 3.45Å; V24-T124 HydrophobicContact CG2-CG2 3.88Å; H121-T124 PolarHBondContact ND1-OG1 2.99Å; H121-T124 WeakPolarHBondContact O-CB 3.48Å; H121-T124 PolarHBondContact O-N 2.84Å; H121-T124 PolarHBondContact O-OG1 3.09Å; A122-T124 PolarHBondContact O-N 2.91Å; T124-P131 HydrophobicContact CG2-CB 4.36Å; T124-P131 HydrophobicContact CG2-CG 4.43Å; T124-P154 WeakPolarHBondContact CG2-O 3.39Å
125L98.1Very high98.5Very high78 Ų7854.5 Ų54.541%0.40828%0.279SS..SBendtrans-106.5-20.6-168.4-58.7177.9000114.5S13S13-L125 WeakPolarHBondContact CB-O 3.4Å
126Y97.7Very high98.5Very high147 Ų14749.9 Ų49.958%0.57626%0.262SS*.  trans-123.4144.3-167.3-53.6-73000112.1A122 A128A122-Y126 WeakPolarHBondContact O-CD2 3.33Å; Y126-A128 PolarHBondContact O-N 3.39Å
127S97.4Very high98.5Very high90 Ų9049.9 Ų49.963%0.62926%0.261SS*.THydrogen-bonded Turntrans-70.9-17.4175.258.30000114.3S11 V129S11-S127 WeakPolarHBondContact OG-CA 3.49Å; S11-S127 WeakPolarHBondContact OG-CB 3.32Å; S127-V129 VanDerWaalsContact C-N 3.31Å
128A98.1Very high98.5Very high95 Ų9549.7 Ų49.779%0.78526%0.26SS*.THydrogen-bonded Turntrans-76.3-17.9-178.300000113.6Y126Y126-A128 PolarHBondContact O-N 3.39Å
129V98.3Very high98.5Very high58 Ų5843.9 Ų43.935%0.35223%0.231SC..SBendtrans-130.7163.5-179.4-62.90000109.7Y123 S127Y123-V129 HydrophobicContact CD1-CB 3.83Å; Y123-V129 HydrophobicContact CD1-CG1 4.32Å; Y123-V129 HydrophobicContact CD1-CG2 3.93Å; Y123-V129 HydrophobicContact CE1-CB 4.19Å; Y123-V129 HydrophobicContact CE1-CG1 4.19Å; Y123-V129 HydrophobicContact CG-CG2 4.25Å; S127-V129 VanDerWaalsContact C-N 3.31Å
130R98.5Very high98.5Very high124 Ų12439.8 Ų39.847%0.46822%0.215SC..  trans-109.3152172.263.8167.5-17676.30.7110.5D84 Y123D84-R130 IonicContact OD1-CZ 2.99Å; D84-R130 IonicContact OD1-NH1 2.8Å; D84-R130 IonicContact OD1-NH2 2.8Å; D84-R130 PolarHBondContact OD1-NH2 3.15Å; D84-R130 IonicContact OD2-CZ 2.71Å; D84-R130 IonicContact OD2-NH1 3.84Å; D84-R130 PolarHBondContact OD2-NH1 2.89Å; D84-R130 IonicContact OD2-NH2 3.69Å; D84-R130 PolarHBondContact OD2-NH2 2.79Å; Y123-R130 CarbonylContact O-C 3.53Å
131P98.8Very high98.5Very high4 Ų441.1 Ų41.13%0.02622%0.22CC..  trans-56.1151.8168.4-24.934.8000112A12 Q23 V24 A27 T124 G133A12-P131 HydrophobicContact CB-CG 4.37Å; Q23-P131 HydrophobicContact CB-CG 4.18Å; V24-P131 HydrophobicContact CG2-CG 4Å; A27-P131 HydrophobicContact CB-CB 4.02Å; T124-P131 HydrophobicContact CG2-CB 4.36Å; T124-P131 HydrophobicContact CG2-CG 4.43Å; P131-G133 PolarHBondContact O-N 2.91Å
132F98.8Very high98.3Very high13 Ų1338.8 Ų38.86%0.05721%0.211CC..  trans-68.6129.4173.6-70.8-80.2000110.3D84 L88 Y119 V120 Y123 C134 P154D84-F132 HydrophobicContact CB-CD1 3.99Å; L88-F132 HydrophobicContact CD1-CB 4.12Å; L88-F132 HydrophobicContact CD1-CD1 4.15Å; L88-F132 HydrophobicContact CD1-CD2 4.44Å; L88-F132 HydrophobicContact CD1-CG 3.98Å; L88-F132 HydrophobicContact CD2-CD1 4.1Å; L88-F132 HydrophobicContact CD2-CD2 4.04Å; L88-F132 HydrophobicContact CD2-CE1 3.94Å; L88-F132 HydrophobicContact CD2-CE2 3.86Å; L88-F132 HydrophobicContact CD2-CG 4.16Å; L88-F132 HydrophobicContact CD2-CZ 3.82Å; L88-F132 HydrophobicContact CG-CD1 3.98Å; L88-F132 HydrophobicContact CG-CE1 4.14Å; L88-F132 HydrophobicContact CG-CG 4.22Å; Y119-F132 HydrophobicContact CD1-CE2 4.2Å; Y119-F132 HydrophobicContact CD1-CZ 4.42Å; Y119-F132 AromaticContact CE1-CE2 4Å; Y119-F132 HydrophobicContact CE1-CE2 4Å; Y119-F132 AromaticContact CE1-CZ 3.81Å; Y119-F132 HydrophobicContact CE1-CZ 3.81Å; V120-F132 HydrophobicContact CB-CD2 4.41Å; V120-F132 HydrophobicContact CG1-CD2 4.26Å; V120-F132 HydrophobicContact CG2-CD2 4.2Å; Y123-F132 AromaticContact CD1-CE2 3.8Å; Y123-F132 HydrophobicContact CD1-CE2 3.8Å; Y123-F132 AromaticContact CD1-CZ 3.96Å; Y123-F132 HydrophobicContact CD1-CZ 3.96Å; Y123-F132 HydrophobicContact CD2-CD2 4.46Å; Y123-F132 AromaticContact CD2-CE2 3.49Å; Y123-F132 HydrophobicContact CD2-CE2 3.49Å; Y123-F132 VanDerWaalsContact CD2-CE2 3.49Å; Y123-F132 HydrophobicContact CD2-CZ 4.07Å; Y123-F132 HydrophobicContact CE1-CE2 4.17Å; Y123-F132 AromaticContact CE1-CZ 3.9Å; Y123-F132 HydrophobicContact CE1-CZ 3.9Å; Y123-F132 AromaticContact CE2-CE2 3.88Å; Y123-F132 HydrophobicContact CE2-CE2 3.88Å; Y123-F132 AromaticContact CE2-CZ 4Å; Y123-F132 HydrophobicContact CE2-CZ 4Å; Y123-F132 HydrophobicContact CG-CD2 4.11Å; Y123-F132 AromaticContact CG-CE2 3.44Å; Y123-F132 HydrophobicContact CG-CE2 3.44Å; Y123-F132 VanDerWaalsContact CG-CE2 3.44Å; Y123-F132 HydrophobicContact CG-CZ 4.04Å; Y123-F132 AromaticContact CZ-CZ 3.92Å; F132-C134 PolarHBondContact O-N 2.98Å; F132-C134 VanDerWaalsContact O-N 3.09Å; F132-P154 VanDerWaalsContact O-CB 3.27Å; F132-P154 WeakPolarHBondContact O-CB 3.29Å; F132-P154 WeakPolarHBondContact O-CG 3.32Å
133G98.6Very high97.8Very high5 Ų545.2 Ų45.25%0.05223%0.234CC..SBendtrans-8332.6-179.900000113.6G80 L81 D84 P131G80-G133 CarbonylContact C-O 3.53Å; G80-G133 WeakPolarHBondContact CA-O 3.44Å; L81-G133 PolarHBondContact N-O 3Å; D84-G133 PolarHBondContact OD2-N 2.94Å; P131-G133 PolarHBondContact O-N 2.91Å
134C98.4Very high97.5Very high1 Ų149.4 Ų49.41%0.00726%0.261CS..EExtended strand (participates in β ladder)trans-143.1148.3-177.567.80000112.5A79 A85 L88 F132A79-C134 CarbonylContact O-C 3.57Å; A79-C134 VanDerWaalsContact O-CA 3.23Å; A79-C134 WeakPolarHBondContact O-CA 3.5Å; A79-C134 WeakPolarHBondContact O-CB 3.47Å; A85-C134 HydrophobicContact CB-CB 4.09Å; L88-C134 WeakPolarHBondContact CD1-SG 3.41Å; F132-C134 PolarHBondContact O-N 2.98Å; F132-C134 VanDerWaalsContact O-N 3.09Å
135S98.9Very high97.2Very high9 Ų952.7 Ų52.76%0.06328%0.278CS..EExtended strand (participates in β ladder)trans-108.5155.1163.6-68.50000108.6A79 V152 P154 I166A79-S135 PolarHBondContact N-O 3.09Å; A79-S135 PolarHBondContact O-N 2.71Å; A79-S135 VanDerWaalsContact O-O 3.11Å; S135-V152 WeakPolarHBondContact CA-O 3.42Å; S135-V152 WeakPolarHBondContact CB-O 3.23Å; S135-P154 WeakPolarHBondContact OG-CD 3.41Å; S135-I166 WeakPolarHBondContact O-CD1 3.27Å
136F98.9Very high97.2Very high1 Ų149.9 Ų49.90%0.00427%0.268CS..EExtended strand (participates in β ladder)trans-146.1152.4176.559.3-88.7000111.8M76 A77 V78 L88 V116 V120 L138 M151 V152M76-F136 HydrophobicContact CE-CB 3.45Å; M76-F136 VanDerWaalsContact CE-CB 3.45Å; M76-F136 HydrophobicContact CE-CD1 3.77Å; M76-F136 HydrophobicContact CE-CD2 3.6Å; M76-F136 HydrophobicContact CE-CE1 4.42Å; M76-F136 HydrophobicContact CE-CE2 4.26Å; M76-F136 HydrophobicContact CE-CG 3.31Å; M76-F136 HydrophobicContact CG-CB 4.08Å; M76-F136 HydrophobicContact CG-CD2 4.26Å; M76-F136 HydrophobicContact CG-CG 4.48Å; A77-F136 CarbonylContact O-C 3.54Å; A77-F136 VanDerWaalsContact O-CA 3.25Å; A77-F136 WeakPolarHBondContact O-CA 3.37Å; V78-F136 HydrophobicContact CB-CB 4.42Å; V78-F136 HydrophobicContact CG1-CB 3.9Å; L88-F136 HydrophobicContact CD1-CD1 3.99Å; L88-F136 HydrophobicContact CD1-CE1 3.73Å; V116-F136 HydrophobicContact CB-CZ 4.27Å; V116-F136 HydrophobicContact CG1-CE1 4.31Å; V116-F136 HydrophobicContact CG1-CE2 4.11Å; V116-F136 HydrophobicContact CG1-CZ 3.48Å; V116-F136 VanDerWaalsContact CG1-CZ 3.48Å; V120-F136 HydrophobicContact CG2-CE1 4.17Å; F136-L138 HydrophobicContact CD2-CD1 4.4Å; F136-L138 HydrophobicContact CD2-CD2 4.16Å; F136-L138 HydrophobicContact CD2-CG 3.88Å; F136-L138 HydrophobicContact CE2-CD1 3.9Å; F136-L138 HydrophobicContact CE2-CD2 4.35Å; F136-L138 HydrophobicContact CE2-CG 3.9Å; F136-M151 WeakPolarHBondContact O-CA 3.48Å; F136-V152 HydrophobicContact CD1-CB 4.35Å; F136-V152 HydrophobicContact CD2-CB 4.3Å; F136-V152 HydrophobicContact CE1-CB 3.74Å; F136-V152 HydrophobicContact CE1-CG1 3.84Å; F136-V152 HydrophobicContact CE2-CB 3.71Å; F136-V152 HydrophobicContact CE2-CG1 4.45Å; F136-V152 HydrophobicContact CE2-CG2 3.71Å; F136-V152 HydrophobicContact CZ-CB 3.39Å; F136-V152 HydrophobicContact CZ-CG1 3.66Å; F136-V152 HydrophobicContact CZ-CG2 3.72Å; F136-V152 PolarHBondContact N-O 2.91Å; F136-V152 PolarHBondContact O-N 3.2Å
137I98.9Very high97.2Very high0 Ų043.3 Ų43.30%024%0.243CC..EExtended strand (participates in β ladder)trans-112.5125.5177.7-47.2176.1000107F48 M76 A77 L149 Y150 M151 C164 I166F48-I137 HydrophobicContact CE1-CB 3.99Å; F48-I137 HydrophobicContact CE1-CG2 3.72Å; M76-I137 CarbonylContact C-O 3.55Å; M76-I137 VanDerWaalsContact CA-O 3.24Å; M76-I137 WeakPolarHBondContact CA-O 3.47Å; A77-I137 PolarHBondContact N-O 2.96Å; A77-I137 PolarHBondContact O-N 3.37Å; I137-L149 HydrophobicContact CG2-CD1 3.4Å; I137-L149 HydrophobicContact CG2-CG 4Å; I137-Y150 CarbonylContact C-O 3.53Å; I137-Y150 VanDerWaalsContact CA-O 3.29Å; I137-Y150 WeakPolarHBondContact CA-O 3.43Å; I137-Y150 VanDerWaalsContact CG2-O 3.32Å; I137-Y150 WeakPolarHBondContact CG2-O 3.37Å; I137-M151 HydrophobicContact CG1-CB 4.45Å; I137-M151 HydrophobicContact CG1-CG 4.11Å; I137-C164 HydrophobicContact CD1-CB 4.36Å; I137-I166 HydrophobicContact CD1-CD1 4.27Å; I137-I166 HydrophobicContact CD1-CG1 4.12Å; I137-I166 HydrophobicContact CG1-CD1 3.92Å; I137-I166 HydrophobicContact CG1-CG1 4.27Å
138L98.9Very high97.3Very high0 Ų040.5 Ų40.50%022%0.22CC..EExtended strand (participates in β ladder)trans-103.4140.7173.7-65.9175000109.6V70 V74 G75 M76 L109 L112 F136 L149 Y150V70-L138 HydrophobicContact CG2-CD2 4.25Å; V74-L138 HydrophobicContact CG1-CD2 4.36Å; G75-L138 WeakPolarHBondContact O-CA 3.41Å; M76-L138 HydrophobicContact CB-CD2 3.78Å; M76-L138 HydrophobicContact CG-CD2 3.81Å; M76-L138 HydrophobicContact SD-CD2 4.46Å; L109-L138 HydrophobicContact CD1-CB 3.84Å; L112-L138 HydrophobicContact CG-CD1 4.41Å; F136-L138 HydrophobicContact CD2-CD1 4.4Å; F136-L138 HydrophobicContact CD2-CD2 4.16Å; F136-L138 HydrophobicContact CD2-CG 3.88Å; F136-L138 HydrophobicContact CE2-CD1 3.9Å; F136-L138 HydrophobicContact CE2-CD2 4.35Å; F136-L138 HydrophobicContact CE2-CG 3.9Å; L138-L149 CarbonylContact O-C 3.48Å; L138-L149 WeakPolarHBondContact O-CA 3.41Å; L138-Y150 PolarHBondContact N-O 3.38Å; L138-Y150 PolarHBondContact O-N 3.3Å
139G98.8Very high97.3Very high0 Ų036.1 Ų36.10%018%0.184CC..EExtended strand (participates in β ladder)trans-147.7141.8-18000000111.5V74 G75 Q148V74-G139 WeakPolarHBondContact CA-O 3.4Å; G75-G139 PolarHBondContact N-O 2.94Å; G75-G139 PolarHBondContact O-N 3.41Å; G139-Q148 VanDerWaalsContact CA-O 3.29Å; G139-Q148 WeakPolarHBondContact CA-O 3.48Å
140S98.8Very high97.4Very high0 Ų035.2 Ų35.20%017%0.174CC..EExtended strand (participates in β ladder)trans-146.3166.4179.973.60000110.3H73 L109 P147 Q148H73-S140 WeakPolarHBondContact O-CA 3.37Å; H73-S140 WeakPolarHBondContact O-CB 3.41Å; L109-S140 VanDerWaalsContact CB-OG 3.27Å; L109-S140 WeakPolarHBondContact CB-OG 3.26Å; L109-S140 WeakPolarHBondContact CD2-OG 3.25Å; S140-P147 WeakPolarHBondContact O-CA 3.35Å; S140-Q148 PolarHBondContact N-O 3.07Å; S140-Q148 PolarHBondContact O-N 3.4Å
141Y98.5Very high97.4Very high28 Ų2830.4 Ų30.411%0.1116%0.157CC..EExtended strand (participates in β ladder)trans-144.7133.1166.4172-87.4000108.4D44 P147 G218 E219 G223D44-Y141 WeakPolarHBondContact O-CE2 3.45Å; Y141-P147 HydrophobicContact CD2-CB 3.96Å; Y141-P147 HydrophobicContact CD2-CG 4.34Å; Y141-G218 VanDerWaalsContact CD1-C 3.47Å; Y141-E219 HydrophobicContact CE1-CB 4.33Å; Y141-G223 WeakPolarHBondContact O-CA 3.5Å
142D93Very high97.4Very high38 Ų3830.2 Ų30.220%0.20316%0.156CC..EExtended strand (participates in β ladder)trans-140.9164.4164.665.280000109.5D144 D145 G146D142-D144 VanDerWaalsContact C-N 3.29Å; D142-D144 PolarHBondContact O-N 2.93Å; D142-D144 PolarHBondContact OD1-N 2.74Å; D142-D145 WeakPolarHBondContact OD1-CB 3.41Å; D142-D145 PolarHBondContact OD1-N 3.46Å; D142-G146 WeakPolarHBondContact O-CA 3.15Å; D142-G146 PolarHBondContact O-N 2.82Å
143Q90.1Very high97.4Very high177 Ų17731 Ų3183%0.82716%0.161SC*.THydrogen-bonded Turntrans-72.4-23.5-173.6-69.8-175.9-19.500113.1
144D92.4Very high97.4Very high158 Ų15830.8 Ų30.885%0.84516%0.158SC*.THydrogen-bonded Turntrans-88.3-45.4-173.8-63.4-44.2000111D142D142-D144 VanDerWaalsContact C-N 3.29Å; D142-D144 PolarHBondContact O-N 2.93Å; D142-D144 PolarHBondContact OD1-N 2.74Å
145D92.5Very high97.4Very high81 Ų8131.7 Ų31.743%0.43317%0.165SC..THydrogen-bonded Turntrans-96.9-14-177.3-71.7-35.3000113.3D142D142-D145 WeakPolarHBondContact OD1-CB 3.41Å; D142-D145 PolarHBondContact OD1-N 3.46Å
146G97.1Very high97.4Very high18 Ų1832 Ų3219%0.18617%0.17CC..EExtended strand (participates in β ladder)trans71.1-166.1-176.500000113.5D142D142-G146 WeakPolarHBondContact O-CA 3.15Å; D142-G146 PolarHBondContact O-N 2.82Å
147P98.4Very high97.3Very high10 Ų1035.6 Ų35.67%0.06519%0.188CC..EExtended strand (participates in β ladder)trans-70.8136.3177.426.1-30000110.8R41 C42 V46 S140 Y141R41-P147 WeakPolarHBondContact CD-O 3.43Å; R41-P147 HydrophobicContact CG-CB 4.06Å; R41-P147 HydrophobicContact CG-CG 4.24Å; R41-P147 PolarHBondContact NE-O 2.88Å; R41-P147 PolarHBondContact NH1-O 2.85Å; R41-P147 PolarHBondContact NH2-O 2.98Å; C42-P147 VanDerWaalsContact O-CG 3.25Å; C42-P147 WeakPolarHBondContact O-CG 3.44Å; V46-P147 HydrophobicContact CG2-CB 4.21Å; S140-P147 WeakPolarHBondContact O-CA 3.35Å; Y141-P147 HydrophobicContact CD2-CB 3.96Å; Y141-P147 HydrophobicContact CD2-CG 4.34Å
148Q98.8Very high97.3Very high31 Ų3137 Ų3715%0.14520%0.198CC..EExtended strand (participates in β ladder)trans-135.2142.5178.9-62.2-171.9-14.100110.6V46 L109 G139 S140 Y150V46-Q148 WeakPolarHBondContact CG2-O 3.01Å; L109-Q148 HydrophobicContact CB-CB 4.33Å; L109-Q148 HydrophobicContact CD2-CB 3.56Å; L109-Q148 VanDerWaalsContact CD2-O 3.22Å; L109-Q148 WeakPolarHBondContact CD2-O 3.41Å; G139-Q148 VanDerWaalsContact CA-O 3.29Å; G139-Q148 WeakPolarHBondContact CA-O 3.48Å; S140-Q148 PolarHBondContact N-O 3.07Å; S140-Q148 PolarHBondContact O-N 3.4Å; Q148-Y150 HydrophobicContact CB-CE2 4.38Å
149L98.9Very high97.3Very high3 Ų343.9 Ų43.92%0.01623%0.225CC..EExtended strand (participates in β ladder)trans-139.2123.6-178.9-177.276.4000109G39 R41 V46 F48 I137 L138 G160 Y161G39-L149 VanDerWaalsContact O-CD2 3.32Å; G39-L149 WeakPolarHBondContact O-CD2 3.17Å; R41-L149 HydrophobicContact CB-CB 4.21Å; R41-L149 HydrophobicContact CB-CD2 4.49Å; V46-L149 HydrophobicContact CG1-CD1 3.65Å; V46-L149 HydrophobicContact CG2-CB 4.46Å; F48-L149 HydrophobicContact CE1-CD1 3.84Å; F48-L149 HydrophobicContact CZ-CD1 4.21Å; I137-L149 HydrophobicContact CG2-CD1 3.4Å; I137-L149 HydrophobicContact CG2-CG 4Å; L138-L149 CarbonylContact O-C 3.48Å; L138-L149 WeakPolarHBondContact O-CA 3.41Å; L149-G160 CarbonylContact O-C 3.6Å; L149-G160 VanDerWaalsContact O-CA 3.3Å; L149-G160 WeakPolarHBondContact O-CA 3.32Å; L149-Y161 PolarHBondContact O-N 3.47Å
150Y98.9Very high97.3Very high39 Ų3946.1 Ų46.115%0.15325%0.248CC..EExtended strand (participates in β ladder)trans-126148.6177.8-77.4-98000110.5L109 K110 S113 I137 L138 Q148 Y159L109-Y150 HydrophobicContact CD2-CD2 3.8Å; L109-Y150 HydrophobicContact CD2-CE2 4.45Å; L109-Y150 HydrophobicContact CG-CD2 4.05Å; K110-Y150 HydrophobicContact CB-CE2 4.14Å; K110-Y150 WeakPolarHBondContact CB-OH 3.41Å; K110-Y150 HydrophobicContact CG-CE1 4.37Å; K110-Y150 WeakPolarHBondContact CG-OH 3.44Å; S113-Y150 WeakPolarHBondContact OG-CD1 3.4Å; I137-Y150 CarbonylContact C-O 3.53Å; I137-Y150 VanDerWaalsContact CA-O 3.29Å; I137-Y150 WeakPolarHBondContact CA-O 3.43Å; I137-Y150 VanDerWaalsContact CG2-O 3.32Å; I137-Y150 WeakPolarHBondContact CG2-O 3.37Å; L138-Y150 PolarHBondContact N-O 3.38Å; L138-Y150 PolarHBondContact O-N 3.3Å; Q148-Y150 HydrophobicContact CB-CE2 4.38Å; Y150-Y159 CarbonylContact C-O 3.59Å; Y150-Y159 VanDerWaalsContact CA-O 3.25Å; Y150-Y159 WeakPolarHBondContact CA-O 3.42Å; Y150-Y159 WeakPolarHBondContact CD1-O 3.29Å
151M98.8Very high97.3Very high23 Ų2349 Ų4911%0.11326%0.26CS..EExtended strand (participates in β ladder)trans-124.8140.5171.4-175.9-81-61.700109.5F136 I137 D153 S158 Y159 Y161 I166F136-M151 WeakPolarHBondContact O-CA 3.48Å; I137-M151 HydrophobicContact CG1-CB 4.45Å; I137-M151 HydrophobicContact CG1-CG 4.11Å; M151-D153 HydrophobicContact SD-CB 4.21Å; M151-S158 WeakPolarHBondContact O-CA 3.18Å; M151-Y159 PolarHBondContact N-O 3.1Å; M151-Y159 PolarHBondContact O-N 2.71Å; M151-Y161 HydrophobicContact CB-CD2 3.88Å; M151-Y161 HydrophobicContact CB-CE2 3.63Å; M151-Y161 HydrophobicContact CE-CE2 4.08Å; M151-Y161 WeakPolarHBondContact CE-OH 3.3Å; M151-I166 HydrophobicContact CG-CG2 3.96Å; M151-I166 HydrophobicContact SD-CG2 4.25Å
152V98.9Very high97.3Very high0 Ų052.9 Ų52.90%027%0.274CS..EExtended strand (participates in β ladder)trans-123.7134.4175.8-177.20000109.7A117 S135 F136 I157A117-V152 HydrophobicContact CB-CG1 3.81Å; A117-V152 HydrophobicContact CB-CG2 4.03Å; S135-V152 WeakPolarHBondContact CA-O 3.42Å; S135-V152 WeakPolarHBondContact CB-O 3.23Å; F136-V152 HydrophobicContact CD1-CB 4.35Å; F136-V152 HydrophobicContact CD2-CB 4.3Å; F136-V152 HydrophobicContact CE1-CB 3.74Å; F136-V152 HydrophobicContact CE1-CG1 3.84Å; F136-V152 HydrophobicContact CE2-CB 3.71Å; F136-V152 HydrophobicContact CE2-CG1 4.45Å; F136-V152 HydrophobicContact CE2-CG2 3.71Å; F136-V152 HydrophobicContact CZ-CB 3.39Å; F136-V152 HydrophobicContact CZ-CG1 3.66Å; F136-V152 HydrophobicContact CZ-CG2 3.72Å; F136-V152 PolarHBondContact N-O 2.91Å; F136-V152 PolarHBondContact O-N 3.2Å; V152-I157 VanDerWaalsContact CA-O 3.27Å; V152-I157 WeakPolarHBondContact CA-O 3.44Å
153D98.6Very high97.5Very high29 Ų2951.9 Ų51.916%0.15527%0.273CS..  trans-108171.5178.478.119000112.5M28 M151 S155 G156 I157M28-D153 HydrophobicContact CE-CB 4.39Å; M28-D153 WeakPolarHBondContact CE-OD2 3.32Å; M151-D153 HydrophobicContact SD-CB 4.21Å; D153-S155 PolarHBondContact O-N 2.76Å; D153-S155 WeakPolarHBondContact OD1-CA 3.31Å; D153-S155 VanDerWaalsContact OD1-CB 3.29Å; D153-S155 WeakPolarHBondContact OD1-CB 3.45Å; D153-S155 PolarHBondContact OD1-N 3.3Å; D153-S155 PolarHBondContact OD1-OG 3.32Å; D153-G156 PolarHBondContact O-N 3.03Å; D153-I157 PolarHBondContact N-O 3.17Å
154P98.8Very high97.9Very high0 Ų043.5 Ų43.50%023%0.234CC..THydrogen-bonded Turntrans-55.7-17.5179.5-33.739.6000116.8A27 M28 V31 T124 F132 S135 G156A27-P154 HydrophobicContact CB-CB 3.8Å; A27-P154 HydrophobicContact CB-CG 4.21Å; M28-P154 HydrophobicContact CG-CB 4.25Å; M28-P154 HydrophobicContact CG-CG 4.07Å; V31-P154 HydrophobicContact CG2-CG 3.91Å; T124-P154 WeakPolarHBondContact CG2-O 3.39Å; F132-P154 VanDerWaalsContact O-CB 3.27Å; F132-P154 WeakPolarHBondContact O-CB 3.29Å; F132-P154 WeakPolarHBondContact O-CG 3.32Å; S135-P154 WeakPolarHBondContact OG-CD 3.41Å; P154-G156 VanDerWaalsContact C-N 3.29Å
155S98.5Very high98.2Very high21 Ų2136.2 Ų36.215%0.14720%0.195CC..THydrogen-bonded Turntrans-79.9-15176.875.10000113H121 D153 I157H121-S155 PolarHBondContact ND1-O 3.1Å; D153-S155 PolarHBondContact O-N 2.76Å; D153-S155 WeakPolarHBondContact OD1-CA 3.31Å; D153-S155 VanDerWaalsContact OD1-CB 3.29Å; D153-S155 WeakPolarHBondContact OD1-CB 3.45Å; D153-S155 PolarHBondContact OD1-N 3.3Å; D153-S155 PolarHBondContact OD1-OG 3.32Å; S155-I157 WeakPolarHBondContact OG-CD1 3.5Å; S155-I157 VanDerWaalsContact OG-CG1 3.23Å; S155-I157 WeakPolarHBondContact OG-CG1 3.29Å; S155-I157 PolarHBondContact OG-N 3.46Å
156G98.4Very high98.5Very high16 Ų1632.7 Ų32.717%0.16518%0.177CC..  trans83.519.1-17200000113.3A117 D153 P154A117-G156 WeakPolarHBondContact CB-O 3.18Å; A117-G156 WeakPolarHBondContact O-CA 3.42Å; D153-G156 PolarHBondContact O-N 3.03Å; P154-G156 VanDerWaalsContact C-N 3.29Å
157I98.3Very high98.5Very high76 Ų7631.9 Ų31.939%0.3917%0.168SC..  trans-77.3136.5169.9-73.3171.2000109.1V152 D153 S155 Y159V152-I157 VanDerWaalsContact CA-O 3.27Å; V152-I157 WeakPolarHBondContact CA-O 3.44Å; D153-I157 PolarHBondContact N-O 3.17Å; S155-I157 WeakPolarHBondContact OG-CD1 3.5Å; S155-I157 VanDerWaalsContact OG-CG1 3.23Å; S155-I157 WeakPolarHBondContact OG-CG1 3.29Å; S155-I157 PolarHBondContact OG-N 3.46Å; I157-Y159 HydrophobicContact CG2-CD2 3.47Å; I157-Y159 VanDerWaalsContact CG2-CD2 3.47Å; I157-Y159 HydrophobicContact CG2-CE2 3.2Å; I157-Y159 HydrophobicContact CG2-CG 4.44Å
158S98.5Very high98.5Very high30 Ų3034.7 Ų34.721%0.2118%0.179CC..EExtended strand (participates in β ladder)trans-124.3130.1174-170.70000111M151M151-S158 WeakPolarHBondContact O-CA 3.18Å
159Y98.6Very high98.4Very high144 Ų14434.1 Ų34.157%0.56518%0.18SC*.EExtended strand (participates in β ladder)trans-135150.1174.1-72.8-61.4000111.5Y150 M151 I157 Y161Y150-Y159 CarbonylContact C-O 3.59Å; Y150-Y159 VanDerWaalsContact CA-O 3.25Å; Y150-Y159 WeakPolarHBondContact CA-O 3.42Å; Y150-Y159 WeakPolarHBondContact CD1-O 3.29Å; M151-Y159 PolarHBondContact N-O 3.1Å; M151-Y159 PolarHBondContact O-N 2.71Å; I157-Y159 HydrophobicContact CG2-CD2 3.47Å; I157-Y159 VanDerWaalsContact CG2-CD2 3.47Å; I157-Y159 HydrophobicContact CG2-CE2 3.2Å; I157-Y159 HydrophobicContact CG2-CG 4.44Å; Y159-Y161 WeakPolarHBondContact O-CD2 3.43Å; Y159-Y161 VanDerWaalsContact O-CE2 3.25Å; Y159-Y161 WeakPolarHBondContact O-CE2 3.41Å
160G98.5Very high98.3Very high47 Ų4737.5 Ų37.549%0.48519%0.194SC..EExtended strand (participates in β ladder)trans-84.3143.5171.300000111.7L149L149-G160 CarbonylContact O-C 3.6Å; L149-G160 VanDerWaalsContact O-CA 3.3Å; L149-G160 WeakPolarHBondContact O-CA 3.32Å
161Y98.7Very high98.3Very high61 Ų6141.4 Ų41.424%0.23921%0.214CC..  trans-132.7154-174.2-71.6-91000112.7L149 M151 Y159 G163 C164L149-Y161 PolarHBondContact O-N 3.47Å; M151-Y161 HydrophobicContact CB-CD2 3.88Å; M151-Y161 HydrophobicContact CB-CE2 3.63Å; M151-Y161 HydrophobicContact CE-CE2 4.08Å; M151-Y161 WeakPolarHBondContact CE-OH 3.3Å; Y159-Y161 WeakPolarHBondContact O-CD2 3.43Å; Y159-Y161 VanDerWaalsContact O-CE2 3.25Å; Y159-Y161 WeakPolarHBondContact O-CE2 3.41Å; Y161-G163 WeakPolarHBondContact CD1-O 3.4Å; Y161-C164 HydrophobicContact CD1-CB 3.98Å; Y161-C164 HydrophobicContact CD2-CB 4.25Å; Y161-C164 HydrophobicContact CG-CB 3.81Å
162W98.6Very high98.2Very high108 Ų10842.7 Ų42.741%0.40923%0.228SC..SBendtrans-86.7-41.5160-74.7101.7000111R41 M182 K183R41-W162 HydrophobicContact CB-CE3 4.41Å; R41-W162 WeakPolarHBondContact CB-O 3.47Å; R41-W162 HydrophobicContact CG-CE3 4Å; R41-W162 HydrophobicContact CG-CZ3 4.09Å; R41-W162 PolarHBondContact N-O 2.92Å; W162-M182 HydrophobicContact CB-SD 3.75Å; W162-K183 HydrophobicContact CD2-CG 4.43Å; W162-K183 VanDerWaalsContact CE2-CE 3.48Å; W162-K183 HydrophobicContact CE3-CG 3.94Å; W162-K183 HydrophobicContact CH2-CD 4.23Å; W162-K183 HydrophobicContact CH2-CG 4.04Å; W162-K183 HydrophobicContact CZ2-CD 4.33Å; W162-K183 HydrophobicContact CZ3-CD 4.4Å; W162-K183 HydrophobicContact CZ3-CG 3.73Å
163G98.4Very high98.2Very high18 Ų1842.7 Ų42.719%0.18623%0.228CC..EExtended strand (participates in β ladder)trans-144.9145.9168.600000110G39 Y161G39-G163 CarbonylContact O-C 3.59Å; G39-G163 WeakPolarHBondContact O-CA 3.33Å; Y161-G163 WeakPolarHBondContact CD1-O 3.4Å
164C97.3Very high98.2Very high1 Ų144.5 Ų44.51%0.00724%0.235CC..EExtended strand (participates in β ladder)trans-144.5148.9-178.2-163.80000110.9I38 G39 I137 Y161I38-C164 CarbonylContact C-O 3.54Å; I38-C164 VanDerWaalsContact CA-O 3.29Å; I38-C164 WeakPolarHBondContact CA-O 3.37Å; G39-C164 PolarHBondContact N-O 3.07Å; G39-C164 PolarHBondContact O-N 2.96Å; I137-C164 HydrophobicContact CD1-CB 4.36Å; Y161-C164 HydrophobicContact CD1-CB 3.98Å; Y161-C164 HydrophobicContact CD2-CB 4.25Å; Y161-C164 HydrophobicContact CG-CB 3.81Å
165A98.6Very high98.2Very high4 Ų447.5 Ų47.53%0.03325%0.253CS..EExtended strand (participates in β ladder)trans-137.2139.6175.600000110.1A37 I38 K170 A173 K174 I177A37-A165 WeakPolarHBondContact O-CA 3.41Å; I38-A165 HydrophobicContact CG2-CB 3.75Å; A165-K170 HydrophobicContact CB-CB 4.45Å; A165-A173 HydrophobicContact CB-CB 3.67Å; A165-K174 HydrophobicContact CB-CG 4.26Å; A165-I177 HydrophobicContact CB-CD1 4.36Å
166I98.7Very high98.2Very high8 Ų848.1 Ų48.14%0.04125%0.254CS..EExtended strand (participates in β ladder)trans-131.7153.4176.257174.1000109.6T36 A37 A79 S135 I137 M151T36-I166 WeakPolarHBondContact CA-O 3.4Å; A37-I166 HydrophobicContact CB-CD1 4.39Å; A37-I166 HydrophobicContact CB-CG1 3.96Å; A37-I166 PolarHBondContact N-O 2.97Å; A37-I166 PolarHBondContact O-N 2.61Å; A79-I166 HydrophobicContact CB-CB 4.14Å; A79-I166 HydrophobicContact CB-CD1 3.59Å; A79-I166 HydrophobicContact CB-CG1 3.62Å; S135-I166 WeakPolarHBondContact O-CD1 3.27Å; I137-I166 HydrophobicContact CD1-CD1 4.27Å; I137-I166 HydrophobicContact CD1-CG1 4.12Å; I137-I166 HydrophobicContact CG1-CD1 3.92Å; I137-I166 HydrophobicContact CG1-CG1 4.27Å; M151-I166 HydrophobicContact CG-CG2 3.96Å; M151-I166 HydrophobicContact SD-CG2 4.25Å
167G98.3Very high98.2Very high1 Ų147.7 Ų47.71%0.0125%0.248CC..SBendtrans104.2-169.2-175.600000114.1V31 S34 A169 K170V31-G167 WeakPolarHBondContact O-CA 3.37Å; S34-G167 CarbonylContact O-C 3.48Å; S34-G167 WeakPolarHBondContact O-CA 3.48Å; G167-A169 PolarHBondContact O-N 2.92Å; G167-K170 WeakPolarHBondContact O-CB 3.5Å; G167-K170 PolarHBondContact O-N 3.25Å
168K97.2Very high98.2Very high69 Ų6951.1 Ų51.130%0.326%0.262SS..THydrogen-bonded Turntrans-59.8-39.8-170.866.9-176.8178.2178.50114.5E32 S34 E51 D207E32-K168 WeakPolarHBondContact O-CA 3.47Å; E32-K168 VanDerWaalsContact O-CB 3.27Å; E32-K168 WeakPolarHBondContact O-CB 3.06Å; E32-K168 PolarHBondContact O-N 3.35Å; S34-K168 PolarHBondContact O-N 3.01Å; E51-K168 WeakPolarHBondContact OE1-CE 3.33Å; E51-K168 IonicContact OE1-NZ 3.58Å; E51-K168 PolarHBondContact OE1-NZ 3.22Å; E51-K168 WeakPolarHBondContact OE2-CE 3.49Å; E51-K168 IonicContact OE2-NZ 3.4Å; K168-D207 IonicContact NZ-OD1 2.7Å; K168-D207 PolarHBondContact NZ-OD1 2.8Å; K168-D207 IonicContact NZ-OD2 3.18Å; K168-D207 PolarHBondContact NZ-OD2 2.8Å
169A97.3Very high98.2Very high18 Ų1856 Ų5615%0.14928%0.279CS..THydrogen-bonded Turntrans-102.326-176.700000112.6T36 G167 Q171 A172 A173 V201T36-A169 HydrophobicContact CG2-CB 4.45Å; T36-A169 VanDerWaalsContact OG1-CB 3.29Å; T36-A169 WeakPolarHBondContact OG1-CB 3.35Å; T36-A169 PolarHBondContact OG1-N 3.08Å; T36-A169 VanDerWaalsContact OG1-N 3.16Å; G167-A169 PolarHBondContact O-N 2.92Å; A169-Q171 PolarHBondContact O-N 3.29Å; A169-Q171 VanDerWaalsContact O-N 3.08Å; A169-A172 PolarHBondContact O-N 3.26Å; A169-A173 WeakPolarHBondContact O-CB 3.43Å; A169-A173 PolarHBondContact O-N 3.06Å; A169-V201 HydrophobicContact CB-CB 3.83Å; A169-V201 HydrophobicContact CB-CG2 4.22Å
170K97.3Very high98.1Very high75 Ų7550.4 Ų50.433%0.32626%0.259SS..Hα-helixtrans-51.9-37.6-175.374.5-172.8-173.3-169.70113.6E32 A165 G167 K174E32-K170 IonicContact OE1-NZ 2.69Å; E32-K170 PolarHBondContact OE1-NZ 3.25Å; A165-K170 HydrophobicContact CB-CB 4.45Å; G167-K170 WeakPolarHBondContact O-CB 3.5Å; G167-K170 PolarHBondContact O-N 3.25Å; K170-K174 WeakPolarHBondContact O-CB 3.3Å; K170-K174 VanDerWaalsContact O-CG 3.24Å; K170-K174 WeakPolarHBondContact O-CG 3.25Å; K170-K174 PolarHBondContact O-N 3.37Å; K170-K174 VanDerWaalsContact O-N 3.12Å
171Q97.9Very high98Very high121 Ų12154.8 Ų54.857%0.56527%0.267SS*.Hα-helixtrans-76.4-44.8-176.6-170.559.339.100111.6A169 A173 K174 T175A169-Q171 PolarHBondContact O-N 3.29Å; A169-Q171 VanDerWaalsContact O-N 3.08Å; Q171-A173 VanDerWaalsContact C-N 3.35Å; Q171-K174 PolarHBondContact O-N 3.43Å; Q171-T175 PolarHBondContact O-N 3.18Å; Q171-T175 VanDerWaalsContact O-N 3.12Å; Q171-T175 PolarHBondContact O-OG1 3.38Å
172A98.1Very high97.9Very high50 Ų5053 Ų5341%0.41326%0.261SS..Hα-helixtrans-61.2-44.9175.700000111A169 K174 T175 E176 V201A169-A172 PolarHBondContact O-N 3.26Å; A172-K174 VanDerWaalsContact C-N 3.33Å; A172-K174 PolarHBondContact O-N 3.28Å; A172-T175 WeakPolarHBondContact O-CB 3.25Å; A172-T175 PolarHBondContact O-N 3.42Å; A172-E176 PolarHBondContact O-N 3.49Å; A172-V201 HydrophobicContact CB-CG1 4.03Å
173A98.5Very high97.8Very high0 Ų053.4 Ų53.40%027%0.265CS..Hα-helixtrans-60.2-41.3176.400000112.4T36 I38 A165 A169 Q171 T175 E176 I177 I197 V201T36-A173 HydrophobicContact CG2-CB 4.24Å; I38-A173 HydrophobicContact CG2-CB 3.94Å; A165-A173 HydrophobicContact CB-CB 3.67Å; A169-A173 WeakPolarHBondContact O-CB 3.43Å; A169-A173 PolarHBondContact O-N 3.06Å; Q171-A173 VanDerWaalsContact C-N 3.35Å; A173-T175 VanDerWaalsContact C-N 3.35Å; A173-T175 PolarHBondContact O-N 3.47Å; A173-E176 PolarHBondContact O-N 3.33Å; A173-I177 WeakPolarHBondContact O-CD1 3.42Å; A173-I177 WeakPolarHBondContact O-CG1 3.05Å; A173-I177 PolarHBondContact O-N 3.43Å; A173-I197 HydrophobicContact CB-CG2 4.3Å; A173-V201 HydrophobicContact CB-CG1 4.02Å
174K98.3Very high97.7Very high67 Ų6758 Ų5829%0.29129%0.286SS..Hα-helixtrans-61.5-41.9175.9-80.2176.3-179.8-1710112.4A165 K170 Q171 A172 E176 I177 E178A165-K174 HydrophobicContact CB-CG 4.26Å; K170-K174 WeakPolarHBondContact O-CB 3.3Å; K170-K174 VanDerWaalsContact O-CG 3.24Å; K170-K174 WeakPolarHBondContact O-CG 3.25Å; K170-K174 PolarHBondContact O-N 3.37Å; K170-K174 VanDerWaalsContact O-N 3.12Å; Q171-K174 PolarHBondContact O-N 3.43Å; A172-K174 VanDerWaalsContact C-N 3.33Å; A172-K174 PolarHBondContact O-N 3.28Å; K174-E176 VanDerWaalsContact C-N 3.28Å; K174-E176 PolarHBondContact O-N 3.3Å; K174-I177 PolarHBondContact O-N 3.46Å; K174-E178 WeakPolarHBondContact O-CG 3.4Å; K174-E178 PolarHBondContact O-N 2.89Å
175T98.4Very high97.7Very high62 Ų6259.4 Ų59.438%0.3829%0.293SS..Hα-helixtrans-57.4-42.3176.8-55.50000111.6Q171 A172 A173Q171-T175 PolarHBondContact O-N 3.18Å; Q171-T175 VanDerWaalsContact O-N 3.12Å; Q171-T175 PolarHBondContact O-OG1 3.38Å; A172-T175 WeakPolarHBondContact O-CB 3.25Å; A172-T175 PolarHBondContact O-N 3.42Å; A173-T175 VanDerWaalsContact C-N 3.35Å; A173-T175 PolarHBondContact O-N 3.47Å
176E98.4Very high97.7Very high35 Ų3560.8 Ų60.816%0.16430%0.301CS..Hα-helixtrans-70.4-41.5176.9-60.8-51.7124.200112.5A172 A173 K174 E178 K179 I197 I200A172-E176 PolarHBondContact O-N 3.49Å; A173-E176 PolarHBondContact O-N 3.33Å; K174-E176 VanDerWaalsContact C-N 3.28Å; K174-E176 PolarHBondContact O-N 3.3Å; E176-E178 PolarHBondContact O-N 3.39Å; E176-K179 WeakPolarHBondContact O-CB 3.39Å; E176-K179 PolarHBondContact O-N 2.99Å; E176-K179 VanDerWaalsContact O-N 3.11Å; E176-K179 WeakPolarHBondContact OE1-CE 3.41Å; E176-K179 IonicContact OE1-NZ 3.09Å; E176-K179 PolarHBondContact OE1-NZ 3.19Å; E176-K179 WeakPolarHBondContact OE2-CE 3.17Å; E176-K179 IonicContact OE2-NZ 2.6Å; E176-K179 PolarHBondContact OE2-NZ 3.41Å; E176-I197 HydrophobicContact CB-CB 4.46Å; E176-I197 HydrophobicContact CB-CD1 4.14Å; E176-I197 HydrophobicContact CB-CG1 3.74Å; E176-I197 HydrophobicContact CB-CG2 4.07Å; E176-I200 HydrophobicContact CG-CD1 4.46Å; E176-I200 HydrophobicContact CG-CG2 4.09Å
177I98.4Very high97.7Very high7 Ų760.4 Ų60.44%0.03630%0.299CS..Hα-helixtrans-58.2-38.7175.9-68.1167.1000111.1I38 I40 A165 A173 K174 K179 L180 M182 I197I38-I177 HydrophobicContact CB-CD1 4.37Å; I38-I177 HydrophobicContact CG2-CD1 4.42Å; I40-I177 HydrophobicContact CD1-CD1 4.33Å; I40-I177 HydrophobicContact CD1-CG1 3.79Å; I40-I177 HydrophobicContact CD1-CG2 4.44Å; I40-I177 HydrophobicContact CG1-CD1 4.28Å; I40-I177 HydrophobicContact CG1-CG1 4.22Å; A165-I177 HydrophobicContact CB-CD1 4.36Å; A173-I177 WeakPolarHBondContact O-CD1 3.42Å; A173-I177 WeakPolarHBondContact O-CG1 3.05Å; A173-I177 PolarHBondContact O-N 3.43Å; K174-I177 PolarHBondContact O-N 3.46Å; I177-K179 PolarHBondContact O-N 2.82Å; I177-L180 WeakPolarHBondContact O-CB 3.27Å; I177-L180 PolarHBondContact O-N 2.85Å; I177-L180 VanDerWaalsContact O-N 3.15Å; I177-M182 HydrophobicContact CG2-CE 4.02Å; I177-M182 VanDerWaalsContact O-CE 3.23Å; I177-M182 WeakPolarHBondContact O-CE 3.5Å; I177-I197 HydrophobicContact CG1-CD1 3.9Å
178E98.1Very high97.6Very high148 Ų14867.3 Ų67.369%0.69232%0.324SS*.Hα-helixtrans-65.6-20.2180-76.5172.6-176.500113.7K174 E176 L180K174-E178 WeakPolarHBondContact O-CG 3.4Å; K174-E178 PolarHBondContact O-N 2.89Å; E176-E178 PolarHBondContact O-N 3.39Å; E178-L180 VanDerWaalsContact C-N 3.3Å
179K97.8Very high97.6Very high133 Ų13368.6 Ų68.658%0.57833%0.331SS*.THydrogen-bonded Turntrans-75.7-18.9175.2-59.5174.7-169.4169.30112.7E176 I177E176-K179 WeakPolarHBondContact O-CB 3.39Å; E176-K179 PolarHBondContact O-N 2.99Å; E176-K179 VanDerWaalsContact O-N 3.11Å; E176-K179 WeakPolarHBondContact OE1-CE 3.41Å; E176-K179 IonicContact OE1-NZ 3.09Å; E176-K179 PolarHBondContact OE1-NZ 3.19Å; E176-K179 WeakPolarHBondContact OE2-CE 3.17Å; E176-K179 IonicContact OE2-NZ 2.6Å; E176-K179 PolarHBondContact OE2-NZ 3.41Å; I177-K179 PolarHBondContact O-N 2.82Å
180L97.4Very high97.7Very high25 Ų2567.7 Ų67.713%0.13132%0.324CS..  trans-82.1137.3-174-57.2-178.5000112.7I40 I177 E178 M182 L190 E193 I197I40-L180 HydrophobicContact CD1-CD1 3.98Å; I177-L180 WeakPolarHBondContact O-CB 3.27Å; I177-L180 PolarHBondContact O-N 2.85Å; I177-L180 VanDerWaalsContact O-N 3.15Å; E178-L180 VanDerWaalsContact C-N 3.3Å; L180-M182 HydrophobicContact CB-CB 4.41Å; L180-M182 HydrophobicContact CB-CE 4.29Å; L180-M182 WeakPolarHBondContact O-CE 3.32Å; L180-M182 PolarHBondContact O-N 3.11Å; L180-L190 HydrophobicContact CD1-CD1 4.1Å; L180-E193 HydrophobicContact CD1-CB 3.91Å; L180-E193 HydrophobicContact CD1-CG 4.37Å; L180-E193 HydrophobicContact CD2-CB 4.09Å; L180-E193 HydrophobicContact CD2-CG 3.84Å; L180-I197 HydrophobicContact CD1-CD1 3.9Å
181Q97Very high97.7Very high140 Ų14064.2 Ų64.265%0.65431%0.309SS*.  trans-83.754.3165.7-62.6-60.6-25.900111K183 D184 M185Q181-K183 PolarHBondContact O-N 3.46Å; Q181-D184 PolarHBondContact O-N 3.18Å; Q181-M185 WeakPolarHBondContact O-CG 3.46Å
182M95.5Very high97.8Very high22 Ų2261.6 Ų61.611%0.10830%0.296CS..THydrogen-bonded Turntrans-56.3-23.9-168.967.3-157.479.900114.5I40 C42 W162 I177 L180 D184I40-M182 HydrophobicContact CG2-CB 4.01Å; I40-M182 HydrophobicContact CG2-CG 4.46Å; I40-M182 HydrophobicContact CG2-SD 3.91Å; C42-M182 WeakPolarHBondContact CA-O 3.43Å; C42-M182 WeakPolarHBondContact CB-O 3.42Å; W162-M182 HydrophobicContact CB-SD 3.75Å; I177-M182 HydrophobicContact CG2-CE 4.02Å; I177-M182 VanDerWaalsContact O-CE 3.23Å; I177-M182 WeakPolarHBondContact O-CE 3.5Å; L180-M182 HydrophobicContact CB-CB 4.41Å; L180-M182 HydrophobicContact CB-CE 4.29Å; L180-M182 WeakPolarHBondContact O-CE 3.32Å; L180-M182 PolarHBondContact O-N 3.11Å; M182-D184 VanDerWaalsContact C-N 3.28Å; M182-D184 PolarHBondContact O-N 3.42Å
183K96.1Very high97.8Very high117 Ų11761 Ų6151%0.50929%0.285SS..THydrogen-bonded Turntrans-68.9-21.9178.1-65.9-176.1-178.9176.70114.3K43 W162 Q181K43-K183 WeakPolarHBondContact CB-O 3.32Å; W162-K183 HydrophobicContact CD2-CG 4.43Å; W162-K183 VanDerWaalsContact CE2-CE 3.48Å; W162-K183 HydrophobicContact CE3-CG 3.94Å; W162-K183 HydrophobicContact CH2-CD 4.23Å; W162-K183 HydrophobicContact CH2-CG 4.04Å; W162-K183 HydrophobicContact CZ2-CD 4.33Å; W162-K183 HydrophobicContact CZ3-CD 4.4Å; W162-K183 HydrophobicContact CZ3-CG 3.73Å; Q181-K183 PolarHBondContact O-N 3.46Å
184D96.9Very high97.8Very high114 Ų11461 Ų6161%0.6129%0.285SS*.THydrogen-bonded Turntrans-105.2-11.2-178.6-60.9-44.2000112.4K43 Q181 M182K43-D184 WeakPolarHBondContact CD-O 3.47Å; K43-D184 WeakPolarHBondContact CE-O 2.75Å; K43-D184 PolarHBondContact NZ-O 2.89Å; Q181-D184 PolarHBondContact O-N 3.18Å; M182-D184 VanDerWaalsContact C-N 3.28Å; M182-D184 PolarHBondContact O-N 3.42Å
185M98.2Very high97.8Very high31 Ų3157.8 Ų57.815%0.15327%0.271CS..  trans-80.9152.5179.6-59-178.277.200111.9C42 K43 Q181 E189 E193C42-M185 WeakPolarHBondContact CB-O 3.25Å; K43-M185 VanDerWaalsContact CG-O 3.25Å; K43-M185 WeakPolarHBondContact CG-O 3.38Å; K43-M185 PolarHBondContact N-O 3.34Å; Q181-M185 WeakPolarHBondContact O-CG 3.46Å; M185-E189 HydrophobicContact CE-CB 3.87Å; M185-E193 HydrophobicContact CE-CG 3.56Å
186T98.4Very high97.8Very high33 Ų3356.5 Ų56.520%0.20226%0.26CS..  trans-89162.7167.560.20000111.5D44 R188 E189 L190D44-T186 VanDerWaalsContact OD1-CA 3.24Å; D44-T186 WeakPolarHBondContact OD1-CA 3.43Å; D44-T186 WeakPolarHBondContact OD2-CB 3.38Å; T186-R188 PolarHBondContact O-N 3.37Å; T186-E189 WeakPolarHBondContact CB-OE2 3.24Å; T186-E189 PolarHBondContact N-OE2 3.22Å; T186-E189 PolarHBondContact O-N 3.49Å; T186-E189 VanDerWaalsContact OG1-CD 3.31Å; T186-E189 WeakPolarHBondContact OG1-CG 3.4Å; T186-E189 PolarHBondContact OG1-N 2.93Å; T186-E189 PolarHBondContact OG1-OE2 3.03Å; T186-L190 VanDerWaalsContact O-CB 3.31Å; T186-L190 WeakPolarHBondContact O-CB 3.47Å; T186-L190 PolarHBondContact O-N 2.92Å
187C98Very high97.8Very high0 Ų055 Ų550%025%0.253CS..Hα-helixtrans-53.3-38.2170.5-87.50000112.4C42 D44 G45 V47 L190 V191 W216 V220C42-C187 PolarHBondContact SG-N 2.9Å; C42-C187 VanDerWaalsContact SG-N 3.4Å; D44-C187 PolarHBondContact OD1-N 2.99Å; G45-C187 WeakPolarHBondContact CA-SG 3.13Å; V47-C187 HydrophobicContact CG2-CB 4.22Å; C187-L190 PolarHBondContact O-N 2.93Å; C187-V191 VanDerWaalsContact O-CG2 3.28Å; C187-V191 WeakPolarHBondContact O-CG2 3.35Å; C187-V191 PolarHBondContact O-N 3.3Å; C187-W216 HydrophobicContact CB-CE3 4.44Å; C187-V220 HydrophobicContact CB-CG1 3.94Å
188R96.9Very high97.8Very high146 Ų14654.6 Ų54.655%0.55125%0.251SS*.Hα-helixtrans-67-40.6-178.1-72.9-170.3177.2-85.4-1.3112.6T186 W216T186-R188 PolarHBondContact O-N 3.37Å; R188-W216 HydrophobicContact CG-CZ3 4.38Å
189E97.8Very high97.8Very high96 Ų9648.8 Ų48.845%0.44922%0.223SC..Hα-helixtrans-69.4-44.1174.3-66.9157.9147.700110M185 T186 V191 K192M185-E189 HydrophobicContact CE-CB 3.87Å; T186-E189 WeakPolarHBondContact CB-OE2 3.24Å; T186-E189 PolarHBondContact N-OE2 3.22Å; T186-E189 PolarHBondContact O-N 3.49Å; T186-E189 VanDerWaalsContact OG1-CD 3.31Å; T186-E189 WeakPolarHBondContact OG1-CG 3.4Å; T186-E189 PolarHBondContact OG1-N 2.93Å; T186-E189 PolarHBondContact OG1-OE2 3.03Å; E189-V191 VanDerWaalsContact C-N 3.29Å; E189-V191 PolarHBondContact O-N 3.24Å; E189-K192 WeakPolarHBondContact O-CB 3.35Å; E189-K192 PolarHBondContact O-N 3.17Å; E189-K192 VanDerWaalsContact O-N 3.11Å
190L98.2Very high97.8Very high0 Ų044.7 Ų44.70%021%0.207CC..Hα-helixtrans-64.6-30-176-173.363000113.4I40 C42 V47 L180 T186 C187 K192 E193 V194I40-L190 HydrophobicContact CB-CD1 4.09Å; I40-L190 HydrophobicContact CB-CD2 3.8Å; I40-L190 HydrophobicContact CB-CG 4.32Å; I40-L190 HydrophobicContact CD1-CD1 4.16Å; I40-L190 HydrophobicContact CG2-CD1 3.8Å; I40-L190 HydrophobicContact CG2-CD2 3.85Å; I40-L190 HydrophobicContact CG2-CG 4.4Å; I40-L190 WeakPolarHBondContact O-CD2 3.48Å; C42-L190 HydrophobicContact CB-CD2 3.63Å; V47-L190 HydrophobicContact CB-CD2 4.08Å; V47-L190 HydrophobicContact CB-CG 4.29Å; V47-L190 HydrophobicContact CG2-CB 4.19Å; V47-L190 HydrophobicContact CG2-CD2 3.93Å; V47-L190 HydrophobicContact CG2-CG 4.16Å; L180-L190 HydrophobicContact CD1-CD1 4.1Å; T186-L190 VanDerWaalsContact O-CB 3.31Å; T186-L190 WeakPolarHBondContact O-CB 3.47Å; T186-L190 PolarHBondContact O-N 2.92Å; C187-L190 PolarHBondContact O-N 2.93Å; L190-K192 PolarHBondContact O-N 3.12Å; L190-E193 HydrophobicContact CD1-CB 4.39Å; L190-E193 PolarHBondContact O-N 2.88Å; L190-V194 HydrophobicContact CD1-CG2 4.5Å; L190-V194 HydrophobicContact CG-CG2 4.22Å; L190-V194 WeakPolarHBondContact O-CB 3.4Å; L190-V194 WeakPolarHBondContact O-CG2 3.45Å; L190-V194 PolarHBondContact O-N 3.3Å
191V98.5Very high97.8Very high1 Ų144.2 Ų44.21%0.00621%0.205CC..Hα-helixtrans-57.6-37.5174.6165.60000112.2V47 C187 E189 A195 L214 W216 V228 V232 A236V47-V191 HydrophobicContact CG1-CB 4.5Å; V47-V191 HydrophobicContact CG1-CG2 3.68Å; V47-V191 HydrophobicContact CG2-CG2 3.95Å; C187-V191 VanDerWaalsContact O-CG2 3.28Å; C187-V191 WeakPolarHBondContact O-CG2 3.35Å; C187-V191 PolarHBondContact O-N 3.3Å; E189-V191 VanDerWaalsContact C-N 3.29Å; E189-V191 PolarHBondContact O-N 3.24Å; V191-A195 PolarHBondContact O-N 3.48Å; V191-A195 VanDerWaalsContact O-N 3.09Å; V191-L214 HydrophobicContact CG1-CD1 3.96Å; V191-W216 HydrophobicContact CG2-CE3 3.75Å; V191-W216 HydrophobicContact CG2-CZ3 4.13Å; V191-V228 HydrophobicContact CG1-CG1 4.3Å; V191-V228 HydrophobicContact CG2-CG2 4.11Å; V191-V232 HydrophobicContact CG1-CG1 4.15Å; V191-A236 HydrophobicContact CG1-CB 3.83Å
192K98.3Very high97.8Very high66 Ų6638.4 Ų38.429%0.28718%0.178SC..Hα-helixtrans-68-45.4178.2-63.6-174.9178.4-171.70111.4E189 L190 V194 A195 K196 E235 A236 Y239E189-K192 WeakPolarHBondContact O-CB 3.35Å; E189-K192 PolarHBondContact O-N 3.17Å; E189-K192 VanDerWaalsContact O-N 3.11Å; L190-K192 PolarHBondContact O-N 3.12Å; K192-V194 PolarHBondContact O-N 3.12Å; K192-A195 PolarHBondContact O-N 3.38Å; K192-K196 PolarHBondContact O-N 2.94Å; K192-E235 WeakPolarHBondContact CE-OE1 3.32Å; K192-E235 IonicContact NZ-OE1 2.69Å; K192-E235 PolarHBondContact NZ-OE1 3.37Å; K192-A236 HydrophobicContact CG-CB 4.46Å; K192-Y239 HydrophobicContact CB-CD1 3.65Å; K192-Y239 HydrophobicContact CB-CE1 3.96Å; K192-Y239 HydrophobicContact CB-CG 4.16Å; K192-Y239 HydrophobicContact CD-CG 4.33Å; K192-Y239 HydrophobicContact CG-CD1 4.46Å
193E98.5Very high97.7Very high38 Ų3839.7 Ų39.718%0.17819%0.185CC..Hα-helixtrans-63.7-41.2176.3-59.9-55148.500112.2L180 M185 L190 A195 K196 I197L180-E193 HydrophobicContact CD1-CB 3.91Å; L180-E193 HydrophobicContact CD1-CG 4.37Å; L180-E193 HydrophobicContact CD2-CB 4.09Å; L180-E193 HydrophobicContact CD2-CG 3.84Å; M185-E193 HydrophobicContact CE-CG 3.56Å; L190-E193 HydrophobicContact CD1-CB 4.39Å; L190-E193 PolarHBondContact O-N 2.88Å; E193-A195 VanDerWaalsContact C-N 3.31Å; E193-A195 PolarHBondContact O-N 3.28Å; E193-K196 PolarHBondContact O-N 3.12Å; E193-I197 WeakPolarHBondContact O-CB 3.23Å; E193-I197 WeakPolarHBondContact O-CG1 3.43Å; E193-I197 PolarHBondContact O-N 2.69Å
194V98.8Very high97.4Very high0 Ų041 Ų410%019%0.193CC..Hα-helixtrans-60.4-43.3175.9166.60000110.8I38 I40 V47 G49 L190 K192 I198 L214I38-V194 HydrophobicContact CD1-CB 4.4Å; I38-V194 HydrophobicContact CD1-CG1 3.98Å; I38-V194 HydrophobicContact CD1-CG2 4.42Å; I38-V194 HydrophobicContact CG1-CG1 4.1Å; I40-V194 HydrophobicContact CD1-CG2 3.75Å; I40-V194 HydrophobicContact CG1-CG2 4.21Å; V47-V194 HydrophobicContact CB-CG2 4.18Å; V47-V194 HydrophobicContact CG1-CB 4.2Å; V47-V194 HydrophobicContact CG1-CG1 4.28Å; V47-V194 HydrophobicContact CG1-CG2 3.87Å; G49-V194 VanDerWaalsContact CA-CG1 3.48Å; L190-V194 HydrophobicContact CD1-CG2 4.5Å; L190-V194 HydrophobicContact CG-CG2 4.22Å; L190-V194 WeakPolarHBondContact O-CB 3.4Å; L190-V194 WeakPolarHBondContact O-CG2 3.45Å; L190-V194 PolarHBondContact O-N 3.3Å; K192-V194 PolarHBondContact O-N 3.12Å; V194-I198 VanDerWaalsContact O-CG1 3.32Å; V194-I198 WeakPolarHBondContact O-CG1 3.45Å; V194-I198 PolarHBondContact O-N 3.09Å; V194-I198 VanDerWaalsContact O-N 3.11Å; V194-L214 HydrophobicContact CB-CD2 4.4Å; V194-L214 HydrophobicContact CG1-CD2 3.55Å
195A98.7Very high97Very high0 Ų042.2 Ų42.20%020%0.204CC..Hα-helixtrans-61.9-52.2174.200000110.8V191 K192 E193 I197 I198 Y199 L212 A236 A240V191-A195 PolarHBondContact O-N 3.48Å; V191-A195 VanDerWaalsContact O-N 3.09Å; K192-A195 PolarHBondContact O-N 3.38Å; E193-A195 VanDerWaalsContact C-N 3.31Å; E193-A195 PolarHBondContact O-N 3.28Å; A195-I197 VanDerWaalsContact C-N 3.32Å; A195-I197 PolarHBondContact O-N 2.88Å; A195-I198 PolarHBondContact O-N 2.93Å; A195-Y199 WeakPolarHBondContact O-CD2 3.4Å; A195-Y199 PolarHBondContact O-N 3.2Å; A195-L212 HydrophobicContact CB-CD2 3.69Å; A195-A236 HydrophobicContact CB-CB 3.82Å; A195-A236 WeakPolarHBondContact CB-O 3.34Å; A195-A240 HydrophobicContact CB-CB 4.11Å
196K98.5Very high96.5Very high34 Ų3448.8 Ų48.815%0.14823%0.232CC..Hα-helixtrans-50.9-50.2177.7177.9174.5174.4164.40111.6K192 E193 I198 Y199 I200 Y239 A240 E247K192-K196 PolarHBondContact O-N 2.94Å; E193-K196 PolarHBondContact O-N 3.12Å; K196-I198 PolarHBondContact O-N 3.22Å; K196-Y199 PolarHBondContact O-N 2.83Å; K196-I200 HydrophobicContact CD-CD1 4.32Å; K196-I200 HydrophobicContact CG-CD1 3.75Å; K196-I200 HydrophobicContact CG-CG1 4.39Å; K196-I200 WeakPolarHBondContact O-CG1 3.44Å; K196-I200 PolarHBondContact O-N 2.76Å; K196-Y239 HydrophobicContact CB-CD1 4.47Å; K196-Y239 HydrophobicContact CB-CE1 4.14Å; K196-Y239 HydrophobicContact CD-CE1 4.22Å; K196-A240 HydrophobicContact CB-CB 4.37Å; K196-E247 IonicContact NZ-OE1 3.93Å; K196-E247 PolarHBondContact NZ-OE1 3.17Å
197I98.6Very high96.1Very high3 Ų349.3 Ų49.32%0.01523%0.233CC..Hα-helixtrans-60.7-43.2179.7-66.2169.4000111.5I38 I40 A173 E176 I177 L180 E193 A195 Y199 I200 V201I38-I197 HydrophobicContact CD1-CB 3.97Å; I38-I197 HydrophobicContact CD1-CG2 3.76Å; I40-I197 HydrophobicContact CD1-CD1 4.04Å; A173-I197 HydrophobicContact CB-CG2 4.3Å; E176-I197 HydrophobicContact CB-CB 4.46Å; E176-I197 HydrophobicContact CB-CD1 4.14Å; E176-I197 HydrophobicContact CB-CG1 3.74Å; E176-I197 HydrophobicContact CB-CG2 4.07Å; I177-I197 HydrophobicContact CG1-CD1 3.9Å; L180-I197 HydrophobicContact CD1-CD1 3.9Å; E193-I197 WeakPolarHBondContact O-CB 3.23Å; E193-I197 WeakPolarHBondContact O-CG1 3.43Å; E193-I197 PolarHBondContact O-N 2.69Å; A195-I197 VanDerWaalsContact C-N 3.32Å; A195-I197 PolarHBondContact O-N 2.88Å; I197-Y199 VanDerWaalsContact C-N 3.32Å; I197-Y199 PolarHBondContact O-N 3.48Å; I197-I200 PolarHBondContact O-N 3.11Å; I197-V201 HydrophobicContact CG2-CG1 4.46Å; I197-V201 WeakPolarHBondContact O-CG1 3.29Å; I197-V201 WeakPolarHBondContact O-CG2 3.47Å; I197-V201 PolarHBondContact O-N 3.2Å
198I98.6Very high95.5Very high0 Ų055 Ų550%026%0.258CS..Hα-helixtrans-63.2-40.1178.5-70.2-67.4000111.5I38 E51 V194 A195 K196 H202 F210 L212I38-I198 HydrophobicContact CD1-CD1 4.06Å; I38-I198 HydrophobicContact CD1-CG1 3.99Å; I38-I198 HydrophobicContact CG1-CD1 4.04Å; I38-I198 HydrophobicContact CG1-CG1 4.31Å; I38-I198 HydrophobicContact CG2-CD1 4.24Å; E51-I198 HydrophobicContact CB-CD1 4.48Å; E51-I198 HydrophobicContact CB-CG2 4Å; V194-I198 VanDerWaalsContact O-CG1 3.32Å; V194-I198 WeakPolarHBondContact O-CG1 3.45Å; V194-I198 PolarHBondContact O-N 3.09Å; V194-I198 VanDerWaalsContact O-N 3.11Å; A195-I198 PolarHBondContact O-N 2.93Å; K196-I198 PolarHBondContact O-N 3.22Å; I198-H202 WeakPolarHBondContact O-CB 3.28Å; I198-H202 PolarHBondContact O-N 2.82Å; I198-F210 HydrophobicContact CG2-CD2 4.41Å; I198-F210 HydrophobicContact CG2-CE2 3.68Å; I198-F210 HydrophobicContact CG2-CZ 4.18Å; I198-L212 HydrophobicContact CB-CD1 3.91Å; I198-L212 HydrophobicContact CG1-CD1 4.08Å; I198-L212 HydrophobicContact CG2-CD1 3.64Å
199Y98.1Very high95.4Very high26 Ų2651.5 Ų51.510%0.10226%0.256CS..Hα-helixtrans-66.6-44.4176-87.5-89000111.9A195 K196 I197 V201 H202 F210 L212 E237 A240 K241 L244A195-Y199 WeakPolarHBondContact O-CD2 3.4Å; A195-Y199 PolarHBondContact O-N 3.2Å; K196-Y199 PolarHBondContact O-N 2.83Å; I197-Y199 VanDerWaalsContact C-N 3.32Å; I197-Y199 PolarHBondContact O-N 3.48Å; Y199-V201 VanDerWaalsContact C-N 3.31Å; Y199-V201 PolarHBondContact O-N 2.99Å; Y199-H202 PolarHBondContact O-N 2.77Å; Y199-F210 HydrophobicContact CD1-CE1 4.17Å; Y199-F210 AromaticContact CD1-CZ 3.84Å; Y199-F210 HydrophobicContact CD1-CZ 3.84Å; Y199-F210 HydrophobicContact CD2-CZ 4.04Å; Y199-F210 AromaticContact CE1-CE1 4Å; Y199-F210 HydrophobicContact CE1-CE1 4Å; Y199-F210 AromaticContact CE1-CZ 3.67Å; Y199-F210 HydrophobicContact CE1-CZ 3.67Å; Y199-F210 HydrophobicContact CE2-CE2 4.44Å; Y199-F210 AromaticContact CE2-CZ 3.9Å; Y199-F210 HydrophobicContact CE2-CZ 3.9Å; Y199-F210 HydrophobicContact CG-CZ 4.01Å; Y199-F210 AromaticContact CZ-CZ 3.7Å; Y199-L212 HydrophobicContact CE2-CD2 4.22Å; Y199-E237 HydrophobicContact CE2-CB 4.43Å; Y199-E237 HydrophobicContact CE2-CG 4.19Å; Y199-A240 HydrophobicContact CD2-CB 3.43Å; Y199-A240 VanDerWaalsContact CD2-CB 3.43Å; Y199-A240 HydrophobicContact CE2-CB 3.99Å; Y199-A240 HydrophobicContact CG-CB 3.92Å; Y199-K241 HydrophobicContact CD1-CG 4.43Å; Y199-K241 HydrophobicContact CE1-CG 4.03Å; Y199-K241 WeakPolarHBondContact OH-CE 3.38Å; Y199-L244 HydrophobicContact CD1-CD1 4.33Å; Y199-L244 HydrophobicContact CG-CD1 4.45Å
200I97.1Very high95.3Very high47 Ų4748.4 Ų48.424%0.24124%0.241CC..Hα-helixtrans-57.7-42.3176.5-72.3169.4000112.2E176 K196 I197 H202 L244E176-I200 HydrophobicContact CG-CD1 4.46Å; E176-I200 HydrophobicContact CG-CG2 4.09Å; K196-I200 HydrophobicContact CD-CD1 4.32Å; K196-I200 HydrophobicContact CG-CD1 3.75Å; K196-I200 HydrophobicContact CG-CG1 4.39Å; K196-I200 WeakPolarHBondContact O-CG1 3.44Å; K196-I200 PolarHBondContact O-N 2.76Å; I197-I200 PolarHBondContact O-N 3.11Å; I200-H202 VanDerWaalsContact C-N 3.32Å; I200-L244 HydrophobicContact CG1-CD2 3.98Å
201V97.1Very high95.3Very high15 Ų1549.8 Ų49.89%0.09125%0.248CC..THydrogen-bonded Turntrans-87.4-3-175-550000113.7T36 A169 A172 A173 I197 Y199T36-V201 HydrophobicContact CG2-CG2 4.32Å; A169-V201 HydrophobicContact CB-CB 3.83Å; A169-V201 HydrophobicContact CB-CG2 4.22Å; A172-V201 HydrophobicContact CB-CG1 4.03Å; A173-V201 HydrophobicContact CB-CG1 4.02Å; I197-V201 HydrophobicContact CG2-CG1 4.46Å; I197-V201 WeakPolarHBondContact O-CG1 3.29Å; I197-V201 WeakPolarHBondContact O-CG2 3.47Å; I197-V201 PolarHBondContact O-N 3.2Å; Y199-V201 VanDerWaalsContact C-N 3.31Å; Y199-V201 PolarHBondContact O-N 2.99Å
202H97.3Very high95.3Very high18 Ų1849.8 Ų49.88%0.08325%0.248CC..  trans-78.4129.4174.2-179.261.7000109.9E51 I198 Y199 I200 E204 K208 F210E51-H202 IonicContact OE1-CE1 3.53Å; E51-H202 IonicContact OE1-CG 2.8Å; E51-H202 IonicContact OE1-ND1 2.7Å; E51-H202 PolarHBondContact OE1-ND1 3.4Å; I198-H202 WeakPolarHBondContact O-CB 3.28Å; I198-H202 PolarHBondContact O-N 2.82Å; Y199-H202 PolarHBondContact O-N 2.77Å; I200-H202 VanDerWaalsContact C-N 3.32Å; H202-E204 VanDerWaalsContact CD2-CG 3.49Å; H202-E204 WeakPolarHBondContact CD2-CG 3.36Å; H202-K208 PolarHBondContact CE1-O 2.89Å; H202-F210 HydrophobicContact CB-CD1 4.43Å; H202-F210 HydrophobicContact CB-CE1 4.1Å; H202-F210 AromaticContact CD2-CD1 3.54Å; H202-F210 AromaticContact CD2-CE1 3.58Å; H202-F210 AromaticContact CE1-CD1 3.68Å; H202-F210 AromaticContact CG-CD1 3.65Å; H202-F210 AromaticContact CG-CE1 3.72Å; H202-F210 AromaticContact ND1-CD1 3.74Å; H202-F210 AromaticContact NE2-CD1 3.55Å
203D92.6Very high95.3Very high48 Ų4847.4 Ų47.426%0.25724%0.237SC..  trans-97.591.8178.2-175.1-27.8000109V205 K206 D207D203-V205 PolarHBondContact O-N 2.8Å; D203-V205 VanDerWaalsContact O-N 3.15Å; D203-V205 WeakPolarHBondContact OD1-CB 3.11Å; D203-V205 PolarHBondContact OD1-N 3.27Å; D203-V205 VanDerWaalsContact OD1-N 3.17Å; D203-K206 HydrophobicContact CB-CB 4.37Å; D203-K206 PolarHBondContact O-N 3.47Å; D203-K206 PolarHBondContact OD1-N 2.6Å; D203-K206 VanDerWaalsContact OD2-CD 3.3Å; D203-K206 WeakPolarHBondContact OD2-CD 3.49Å; D203-K206 WeakPolarHBondContact OD2-CE 3.36Å; D203-K206 WeakPolarHBondContact OD2-CG 3.33Å; D203-K206 IonicContact OD2-NZ 2.71Å; D203-K206 PolarHBondContact OD2-NZ 2.99Å; D203-D207 WeakPolarHBondContact O-CB 3.36Å; D203-D207 PolarHBondContact O-N 3.4Å
204E90.1Very high95.3Very high145 Ų14545.9 Ų45.968%0.67823%0.231SC*.THydrogen-bonded Turntrans-62.7-19.4-178.3-65.8-167.7167.300113.7H202H202-E204 VanDerWaalsContact CD2-CG 3.49Å; H202-E204 WeakPolarHBondContact CD2-CG 3.36Å
205V88.9Confident95.3Very high139 Ų13945.9 Ų45.984%0.84223%0.231SC*.THydrogen-bonded Turntrans-80.5-40.5179.3-178.90000110.9D203D203-V205 PolarHBondContact O-N 2.8Å; D203-V205 VanDerWaalsContact O-N 3.15Å; D203-V205 WeakPolarHBondContact OD1-CB 3.11Å; D203-V205 PolarHBondContact OD1-N 3.27Å; D203-V205 VanDerWaalsContact OD1-N 3.17Å
206K88.8Confident95.3Very high169 Ų16946.3 Ų46.374%0.73523%0.232SC*.THydrogen-bonded Turntrans-92.9-32.7-177-64.6-168.4-165103.90113.5D203D203-K206 HydrophobicContact CB-CB 4.37Å; D203-K206 PolarHBondContact O-N 3.47Å; D203-K206 PolarHBondContact OD1-N 2.6Å; D203-K206 VanDerWaalsContact OD2-CD 3.3Å; D203-K206 WeakPolarHBondContact OD2-CD 3.49Å; D203-K206 WeakPolarHBondContact OD2-CE 3.36Å; D203-K206 WeakPolarHBondContact OD2-CG 3.33Å; D203-K206 IonicContact OD2-NZ 2.71Å; D203-K206 PolarHBondContact OD2-NZ 2.99Å
207D88.8Confident95.3Very high44 Ų4444.7 Ų44.724%0.23523%0.225CC..SBendtrans-103.1159.3-172-67.3-76.6000112.7L53 K168 D203L53-D207 HydrophobicContact CD2-CB 4.03Å; K168-D207 IonicContact NZ-OD1 2.7Å; K168-D207 PolarHBondContact NZ-OD1 2.8Å; K168-D207 IonicContact NZ-OD2 3.18Å; K168-D207 PolarHBondContact NZ-OD2 2.8Å; D203-D207 WeakPolarHBondContact O-CB 3.36Å; D203-D207 PolarHBondContact O-N 3.4Å
208K86.1Confident95.3Very high119 Ų11944.6 Ų44.652%0.51723%0.225SC..  trans-77.6165.9171.4-66.7177.5175.6177.50109.6L55 H202 F210L55-K208 PolarHBondContact O-NZ 2.91Å; H202-K208 PolarHBondContact CE1-O 2.89Å; K208-F210 PolarHBondContact O-N 3.25Å
209S93.5Very high95.3Very high74 Ų7450.3 Ų50.352%0.51725%0.252SS..  trans-43.6141.3166.857.90000112V54V54-S209 WeakPolarHBondContact CB-O 3.2Å; V54-S209 PolarHBondContact N-O 2.91Å
210F97.1Very high95.2Very high31 Ų3151.2 Ų51.214%0.13626%0.259CS..EExtended strand (participates in β ladder)trans-118.6157.6177.676.8-80.9000111.7E51 K52 L53 I198 Y199 H202 K208 L212E51-F210 HydrophobicContact CG-CB 4.19Å; E51-F210 HydrophobicContact CG-CD2 4.18Å; E51-F210 HydrophobicContact CG-CG 4.16Å; K52-F210 CarbonylContact O-C 3.59Å; K52-F210 WeakPolarHBondContact O-CA 3.48Å; L53-F210 HydrophobicContact CD2-CB 4.07Å; I198-F210 HydrophobicContact CG2-CD2 4.41Å; I198-F210 HydrophobicContact CG2-CE2 3.68Å; I198-F210 HydrophobicContact CG2-CZ 4.18Å; Y199-F210 HydrophobicContact CD1-CE1 4.17Å; Y199-F210 AromaticContact CD1-CZ 3.84Å; Y199-F210 HydrophobicContact CD1-CZ 3.84Å; Y199-F210 HydrophobicContact CD2-CZ 4.04Å; Y199-F210 AromaticContact CE1-CE1 4Å; Y199-F210 HydrophobicContact CE1-CE1 4Å; Y199-F210 AromaticContact CE1-CZ 3.67Å; Y199-F210 HydrophobicContact CE1-CZ 3.67Å; Y199-F210 HydrophobicContact CE2-CE2 4.44Å; Y199-F210 AromaticContact CE2-CZ 3.9Å; Y199-F210 HydrophobicContact CE2-CZ 3.9Å; Y199-F210 HydrophobicContact CG-CZ 4.01Å; Y199-F210 AromaticContact CZ-CZ 3.7Å; H202-F210 HydrophobicContact CB-CD1 4.43Å; H202-F210 HydrophobicContact CB-CE1 4.1Å; H202-F210 AromaticContact CD2-CD1 3.54Å; H202-F210 AromaticContact CD2-CE1 3.58Å; H202-F210 AromaticContact CE1-CD1 3.68Å; H202-F210 AromaticContact CG-CD1 3.65Å; H202-F210 AromaticContact CG-CE1 3.72Å; H202-F210 AromaticContact ND1-CD1 3.74Å; H202-F210 AromaticContact NE2-CD1 3.55Å; K208-F210 PolarHBondContact O-N 3.25Å; F210-L212 HydrophobicContact CE2-CB 4.03Å; F210-L212 HydrophobicContact CE2-CD1 4.43Å
211E97.5Very high95.3Very high28 Ų2849.6 Ų49.613%0.13125%0.252CS..EExtended strand (participates in β ladder)trans-101.6129.8164-179.4179.4-173.500108K52 V54 Q61 G62 E213 R233K52-E211 WeakPolarHBondContact CB-O 3.44Å; K52-E211 WeakPolarHBondContact CE-OE2 3.39Å; K52-E211 PolarHBondContact N-O 3.38Å; K52-E211 IonicContact NZ-OE2 3.5Å; K52-E211 PolarHBondContact NZ-OE2 3.09Å; K52-E211 PolarHBondContact O-N 2.85Å; V54-E211 HydrophobicContact CG2-CB 4.29Å; Q61-E211 WeakPolarHBondContact CG-OE1 3.23Å; G62-E211 PolarHBondContact N-OE1 3.15Å; G62-E211 PolarHBondContact N-OE2 2.91Å; E211-E213 PolarHBondContact O-N 3.3Å; E211-R233 IonicContact OE1-NH1 3.97Å
212L98.4Very high95.3Very high2 Ų256.3 Ų56.31%0.0129%0.287CS..EExtended strand (participates in β ladder)trans-78.9114.9173.2-178.664.7000109.6A195 I198 Y199 F210 L214 E237A195-L212 HydrophobicContact CB-CD2 3.69Å; I198-L212 HydrophobicContact CB-CD1 3.91Å; I198-L212 HydrophobicContact CG1-CD1 4.08Å; I198-L212 HydrophobicContact CG2-CD1 3.64Å; Y199-L212 HydrophobicContact CE2-CD2 4.22Å; F210-L212 HydrophobicContact CE2-CB 4.03Å; F210-L212 HydrophobicContact CE2-CD1 4.43Å; L212-L214 HydrophobicContact CD1-CD2 4.32Å; L212-L214 HydrophobicContact CD1-CG 4.41Å; L212-L214 HydrophobicContact CD2-CD1 3.85Å; L212-L214 HydrophobicContact CD2-CD2 4.41Å; L212-L214 HydrophobicContact CD2-CG 4.04Å; L212-L214 HydrophobicContact CG-CD1 4.29Å; L212-L214 HydrophobicContact CG-CD2 4.37Å; L212-L214 HydrophobicContact CG-CG 3.95Å; L212-E237 HydrophobicContact CB-CG 4.46Å; L212-E237 HydrophobicContact CD2-CG 3.72Å
213E98.5Very high95.3Very high15 Ų1555.9 Ų55.97%0.0729%0.288CS..EExtended strand (participates in β ladder)trans-96.3127.1168.3-53.3-164.5150.100109.9G49 V50 K52 K65 R66 I67 E211G49-E213 CarbonylContact C-O 3.59Å; G49-E213 WeakPolarHBondContact CA-O 3.42Å; V50-E213 HydrophobicContact CB-CB 4.24Å; V50-E213 PolarHBondContact N-O 3.36Å; V50-E213 PolarHBondContact O-N 3.37Å; V50-E213 VanDerWaalsContact O-N 3.12Å; K52-E213 HydrophobicContact CB-CG 4.2Å; K52-E213 HydrophobicContact CD-CG 4.27Å; K52-E213 VanDerWaalsContact CD-OE1 3.25Å; K52-E213 WeakPolarHBondContact CD-OE1 3.49Å; K52-E213 VanDerWaalsContact CE-OE1 3.26Å; K52-E213 WeakPolarHBondContact CE-OE1 3.39Å; K52-E213 IonicContact NZ-OE1 3.77Å; K52-E213 PolarHBondContact NZ-OE1 3.22Å; K65-E213 WeakPolarHBondContact CA-OE1 3.41Å; R66-E213 PolarHBondContact N-OE2 2.84Å; I67-E213 HydrophobicContact CD1-CB 3.83Å; E211-E213 PolarHBondContact O-N 3.3Å
214L98.8Very high95.6Very high7 Ų758.6 Ų58.64%0.03730%0.297CS..EExtended strand (participates in β ladder)trans-125.8141.2177.3-69.2170.9000110.8F48 V191 V194 L212 V228 R233 A236F48-L214 WeakPolarHBondContact O-CA 3.27Å; F48-L214 WeakPolarHBondContact O-CD2 3.45Å; V191-L214 HydrophobicContact CG1-CD1 3.96Å; V194-L214 HydrophobicContact CB-CD2 4.4Å; V194-L214 HydrophobicContact CG1-CD2 3.55Å; L212-L214 HydrophobicContact CD1-CD2 4.32Å; L212-L214 HydrophobicContact CD1-CG 4.41Å; L212-L214 HydrophobicContact CD2-CD1 3.85Å; L212-L214 HydrophobicContact CD2-CD2 4.41Å; L212-L214 HydrophobicContact CD2-CG 4.04Å; L212-L214 HydrophobicContact CG-CD1 4.29Å; L212-L214 HydrophobicContact CG-CD2 4.37Å; L212-L214 HydrophobicContact CG-CG 3.95Å; L214-V228 HydrophobicContact CB-CB 3.8Å; L214-V228 HydrophobicContact CB-CG2 3.69Å; L214-V228 PolarHBondContact O-N 2.98Å; L214-R233 HydrophobicContact CD1-CB 4.24Å; L214-R233 HydrophobicContact CD1-CG 4.01Å; L214-A236 HydrophobicContact CD1-CB 4.44Å
215S98.9Very high96Very high0 Ų051.7 Ų51.70%027%0.265CS..EExtended strand (participates in β ladder)trans-147.7160.7170.8640000110.7V47 F48 I67 H225 E226V47-S215 WeakPolarHBondContact CA-O 3.43Å; F48-S215 WeakPolarHBondContact CB-OG 3.3Å; F48-S215 WeakPolarHBondContact CD2-OG 3.45Å; F48-S215 PolarHBondContact N-O 3.34Å; F48-S215 PolarHBondContact O-N 3.25Å; I67-S215 VanDerWaalsContact CG2-OG 3.29Å; I67-S215 WeakPolarHBondContact CG2-OG 3.44Å; S215-H225 WeakPolarHBondContact CB-NE2 3.45Å; S215-H225 PolarHBondContact OG-NE2 3.38Å; S215-H225 VanDerWaalsContact OG-NE2 3.09Å; S215-E226 VanDerWaalsContact CA-O 3.3Å; S215-E226 WeakPolarHBondContact CA-O 3.43Å; S215-E226 VanDerWaalsContact CB-O 3.27Å; S215-E226 WeakPolarHBondContact CB-O 3.36Å
216W98.8Very high96.5Very high9 Ų948.4 Ų48.43%0.03424%0.241CC..EExtended strand (participates in β ladder)trans-143159.9179.45712.8000111.8V46 V47 C187 R188 V191 V220 T221 H225 E226 V228 P229 V232V46-W216 CarbonylContact O-C 3.59Å; V46-W216 VanDerWaalsContact O-CA 3.23Å; V46-W216 WeakPolarHBondContact O-CA 3.31Å; V47-W216 HydrophobicContact CG2-CB 4.31Å; C187-W216 HydrophobicContact CB-CE3 4.44Å; R188-W216 HydrophobicContact CG-CZ3 4.38Å; V191-W216 HydrophobicContact CG2-CE3 3.75Å; V191-W216 HydrophobicContact CG2-CZ3 4.13Å; W216-V220 HydrophobicContact CD2-CG1 3.99Å; W216-V220 HydrophobicContact CE3-CG1 4.05Å; W216-V220 HydrophobicContact CG-CG1 4.45Å; W216-V220 HydrophobicContact CH2-CG2 3.87Å; W216-V220 HydrophobicContact CZ2-CG2 4.03Å; W216-V220 HydrophobicContact CZ3-CG1 4.37Å; W216-V220 HydrophobicContact CZ3-CG2 4.24Å; W216-T221 HydrophobicContact CG-CG2 4.24Å; W216-H225 WeakPolarHBondContact O-CA 3.38Å; W216-H225 PolarHBondContact O-CD2 2.7Å; W216-E226 PolarHBondContact N-O 3.4Å; W216-E226 PolarHBondContact O-N 3.41Å; W216-V228 HydrophobicContact CB-CG2 4.43Å; W216-V228 HydrophobicContact CD2-CG2 3.91Å; W216-V228 HydrophobicContact CE3-CG2 4.1Å; W216-V228 HydrophobicContact CG-CG2 4.05Å; W216-P229 VanDerWaalsContact CZ2-CD 3.46Å; W216-P229 HydrophobicContact CZ2-CG 4.13Å; W216-V232 HydrophobicContact CH2-CG1 4.45Å; W216-V232 HydrophobicContact CZ3-CG1 4.4Å
217V98.7Very high96.9Very high0 Ų044.4 Ų44.40%023%0.227CC..EExtended strand (participates in β ladder)trans-147.2121.3168.257.20000107.7G45 V46 H225G45-V217 CarbonylContact C-O 3.55Å; G45-V217 WeakPolarHBondContact CA-O 3.27Å; V46-V217 HydrophobicContact CB-CG1 3.98Å; V46-V217 PolarHBondContact N-O 3.08Å; V46-V217 PolarHBondContact O-N 2.96Å; V217-H225 HydrophobicContact CB-CB 4Å; V217-H225 HydrophobicContact CG2-CB 4.18Å
218G98.2Very high97.4Very high0 Ų042.9 Ų42.90%022%0.219CC..EExtended strand (participates in β ladder)trans-176.7-170.7-171.200000113D44 Y141 V220 T221 N222 G223D44-G218 CarbonylContact O-C 3.58Å; D44-G218 WeakPolarHBondContact O-CA 3.49Å; Y141-G218 VanDerWaalsContact CD1-C 3.47Å; G218-V220 PolarHBondContact O-N 2.87Å; G218-T221 PolarHBondContact N-OG1 3.09Å; G218-T221 CarbonylContact O-C 3.51Å; G218-T221 PolarHBondContact O-N 3.01Å; G218-T221 VanDerWaalsContact O-N 3.09Å; G218-T221 PolarHBondContact O-OG1 2.82Å; G218-T221 VanDerWaalsContact O-OG1 3.14Å; G218-N222 PolarHBondContact O-N 3.39Å; G218-G223 PolarHBondContact O-N 3.16Å
219E97.9Very high97.9Very high121 Ų12139.7 Ų39.757%0.56521%0.211SC*.G310 helixtrans-56-39.3172.3-168.8176.3163.100110.9D44 Y141 T221 N222D44-E219 HydrophobicContact CB-CB 4.1Å; D44-E219 PolarHBondContact O-N 3.22Å; Y141-E219 HydrophobicContact CE1-CB 4.33Å; E219-T221 PolarHBondContact O-N 3.08Å; E219-N222 PolarHBondContact O-N 3.02Å
220V97.1Very high98.1Very high44 Ų4442.4 Ų42.427%0.26721%0.213SC..G310 helixtrans-57.2-24.5177.660.60000113.8C187 W216 G218C187-V220 HydrophobicContact CB-CG1 3.94Å; W216-V220 HydrophobicContact CD2-CG1 3.99Å; W216-V220 HydrophobicContact CE3-CG1 4.05Å; W216-V220 HydrophobicContact CG-CG1 4.45Å; W216-V220 HydrophobicContact CH2-CG2 3.87Å; W216-V220 HydrophobicContact CZ2-CG2 4.03Å; W216-V220 HydrophobicContact CZ3-CG1 4.37Å; W216-V220 HydrophobicContact CZ3-CG2 4.24Å; G218-V220 PolarHBondContact O-N 2.87Å
221T97.9Very high98.1Very high13 Ų1346.1 Ų46.18%0.0823%0.234CC..G310 helixtrans-115.513.5178.855.80000113.2W216 G218 E219 G223 K224 E226W216-T221 HydrophobicContact CG-CG2 4.24Å; G218-T221 PolarHBondContact N-OG1 3.09Å; G218-T221 CarbonylContact O-C 3.51Å; G218-T221 PolarHBondContact O-N 3.01Å; G218-T221 VanDerWaalsContact O-N 3.09Å; G218-T221 PolarHBondContact O-OG1 2.82Å; G218-T221 VanDerWaalsContact O-OG1 3.14Å; E219-T221 PolarHBondContact O-N 3.08Å; T221-G223 PolarHBondContact O-N 3.15Å; T221-K224 WeakPolarHBondContact CB-O 3.3Å; T221-K224 WeakPolarHBondContact O-CB 3.07Å; T221-K224 PolarHBondContact O-N 3.48Å; T221-K224 VanDerWaalsContact O-N 3.07Å; T221-K224 PolarHBondContact OG1-O 3.31Å; T221-E226 HydrophobicContact CG2-CB 4.34Å; T221-E226 HydrophobicContact CG2-CG 4.42Å
222N97.5Very high98.1Very high156 Ų15645.7 Ų45.783%0.83423%0.233SC*.THydrogen-bonded Turntrans51.541.3-173.6-56.2-56.1000112.5G218 E219 K224G218-N222 PolarHBondContact O-N 3.39Å; E219-N222 PolarHBondContact O-N 3.02Å; N222-K224 VanDerWaalsContact C-N 3.26Å; N222-K224 PolarHBondContact O-N 3.23Å
223G97.4Very high98.1Very high10 Ų1047.5 Ų47.510%0.10324%0.24CC..THydrogen-bonded Turntrans746.5-18000000115.5H73 Y141 G218 T221H73-G223 WeakPolarHBondContact CA-O 3.48Å; H73-G223 VanDerWaalsContact CB-O 3.23Å; H73-G223 WeakPolarHBondContact CB-O 3.42Å; Y141-G223 WeakPolarHBondContact O-CA 3.5Å; G218-G223 PolarHBondContact O-N 3.16Å; T221-G223 PolarHBondContact O-N 3.15Å
224K98.5Very high98Very high104 Ų10451.2 Ų51.245%0.45226%0.258SS..  trans-87.9133.8174.1-170.1174.6163.3-142.90110.8R72 T221 N222 E226R72-K224 CarbonylContact O-C 3.44Å; R72-K224 WeakPolarHBondContact O-CA 3.22Å; R72-K224 WeakPolarHBondContact O-CG 3.33Å; T221-K224 WeakPolarHBondContact CB-O 3.3Å; T221-K224 WeakPolarHBondContact O-CB 3.07Å; T221-K224 PolarHBondContact O-N 3.48Å; T221-K224 VanDerWaalsContact O-N 3.07Å; T221-K224 PolarHBondContact OG1-O 3.31Å; N222-K224 VanDerWaalsContact C-N 3.26Å; N222-K224 PolarHBondContact O-N 3.23Å; K224-E226 HydrophobicContact CB-CG 4.4Å; K224-E226 HydrophobicContact CD-CG 4.3Å; K224-E226 VanDerWaalsContact CD-OE1 3.24Å; K224-E226 WeakPolarHBondContact CD-OE1 3.46Å; K224-E226 VanDerWaalsContact CE-OE1 3.25Å; K224-E226 WeakPolarHBondContact CE-OE1 3.46Å; K224-E226 HydrophobicContact CG-CG 4.01Å; K224-E226 IonicContact NZ-OE1 2.71Å; K224-E226 PolarHBondContact NZ-OE1 3.18Å
225H98.8Very high98Very high1 Ų155.9 Ų55.91%0.00528%0.279CS..  trans-79.1123.9173.8178.1-101.7000110.8F48 N69 R72 G75 S215 W216 V217F48-H225 AromaticContact CD2-NE2 3.9Å; N69-H225 PolarHBondContact OD1-CE1 3.32Å; N69-H225 VanDerWaalsContact OD1-CE1 3.28Å; N69-H225 PolarHBondContact OD1-ND1 3.47Å; R72-H225 PolarHBondContact O-N 3.28Å; G75-H225 WeakPolarHBondContact CA-CD2 3.34Å; G75-H225 VanDerWaalsContact CA-CE1 3.44Å; G75-H225 WeakPolarHBondContact CA-CE1 3.23Å; G75-H225 WeakPolarHBondContact CA-ND1 3.29Å; G75-H225 WeakPolarHBondContact CA-NE2 3.41Å; S215-H225 WeakPolarHBondContact CB-NE2 3.45Å; S215-H225 PolarHBondContact OG-NE2 3.38Å; S215-H225 VanDerWaalsContact OG-NE2 3.09Å; W216-H225 WeakPolarHBondContact O-CA 3.38Å; W216-H225 PolarHBondContact O-CD2 2.7Å; V217-H225 HydrophobicContact CB-CB 4Å; V217-H225 HydrophobicContact CG2-CB 4.18Å
226E98.5Very high98Very high70 Ų7055.9 Ų55.933%0.32728%0.279SS..EExtended strand (participates in β ladder)trans-141.1153.4-175-58.6-168.9154.600111.3S215 W216 T221 K224S215-E226 VanDerWaalsContact CA-O 3.3Å; S215-E226 WeakPolarHBondContact CA-O 3.43Å; S215-E226 VanDerWaalsContact CB-O 3.27Å; S215-E226 WeakPolarHBondContact CB-O 3.36Å; W216-E226 PolarHBondContact N-O 3.4Å; W216-E226 PolarHBondContact O-N 3.41Å; T221-E226 HydrophobicContact CG2-CB 4.34Å; T221-E226 HydrophobicContact CG2-CG 4.42Å; K224-E226 HydrophobicContact CB-CG 4.4Å; K224-E226 HydrophobicContact CD-CG 4.3Å; K224-E226 VanDerWaalsContact CD-OE1 3.24Å; K224-E226 WeakPolarHBondContact CD-OE1 3.46Å; K224-E226 VanDerWaalsContact CE-OE1 3.25Å; K224-E226 WeakPolarHBondContact CE-OE1 3.46Å; K224-E226 HydrophobicContact CG-CG 4.01Å; K224-E226 IonicContact NZ-OE1 2.71Å; K224-E226 PolarHBondContact NZ-OE1 3.18Å
227L98.4Very high97.9Very high84 Ų8457.2 Ų57.244%0.4429%0.286SS..EExtended strand (participates in β ladder)trans-66.3144.2167-63.1179.2000109I67I67-L227 HydrophobicContact CG2-CD2 4.33Å
228V98.3Very high97.9Very high12 Ų1263.5 Ų63.57%0.07331%0.313CS..PPolyproline II helixtrans-63133.4175.4173.30000108.9V191 L214 W216 V232 R233V191-V228 HydrophobicContact CG1-CG1 4.3Å; V191-V228 HydrophobicContact CG2-CG2 4.11Å; L214-V228 HydrophobicContact CB-CB 3.8Å; L214-V228 HydrophobicContact CB-CG2 3.69Å; L214-V228 PolarHBondContact O-N 2.98Å; W216-V228 HydrophobicContact CB-CG2 4.43Å; W216-V228 HydrophobicContact CD2-CG2 3.91Å; W216-V228 HydrophobicContact CE3-CG2 4.1Å; W216-V228 HydrophobicContact CG-CG2 4.05Å; V228-V232 HydrophobicContact CG1-CB 3.66Å; V228-V232 HydrophobicContact CG1-CG1 3.61Å; V228-R233 HydrophobicContact CG1-CB 4.38Å
229P98.1Very high97.8Very high53 Ų5367.3 Ų67.334%0.34433%0.328SS..PPolyproline II helixtrans-53.1147.3175.6-29.137000112.7W216 D231 V232 R233W216-P229 VanDerWaalsContact CZ2-CD 3.46Å; W216-P229 HydrophobicContact CZ2-CG 4.13Å; P229-D231 VanDerWaalsContact C-N 3.31Å; P229-D231 WeakPolarHBondContact CB-OD1 3.45Å; P229-D231 PolarHBondContact O-N 3.12Å; P229-V232 HydrophobicContact CB-CG2 4.25Å; P229-V232 PolarHBondContact O-N 2.7Å; P229-V232 VanDerWaalsContact O-N 3.15Å; P229-R233 PolarHBondContact O-N 2.94Å
230K96.8Very high97.8Very high131 Ų13161.5 Ų61.557%0.5730%0.301SS*.Hα-helixtrans-58.8-42.1-171.8179.8176.8169.7179.90112.5R233 E234K230-R233 PolarHBondContact O-N 3.17Å; K230-E234 WeakPolarHBondContact CE-OE1 3.43Å; K230-E234 HydrophobicContact CG-CG 4.44Å; K230-E234 IonicContact NZ-OE1 3.71Å; K230-E234 WeakPolarHBondContact O-CB 3.49Å; K230-E234 WeakPolarHBondContact O-CG 3.49Å; K230-E234 PolarHBondContact O-N 3.18Å
231D97.4Very high97.7Very high109 Ų10964 Ų6458%0.58331%0.308SS*.Hα-helixtrans-59.4-47176.355.1-47.9000112.1P229 R233 E234 E235P229-D231 VanDerWaalsContact C-N 3.31Å; P229-D231 WeakPolarHBondContact CB-OD1 3.45Å; P229-D231 PolarHBondContact O-N 3.12Å; D231-R233 PolarHBondContact O-N 2.9Å; D231-E234 PolarHBondContact O-N 3.1Å; D231-E235 PolarHBondContact O-N 2.54Å
232V97.9Very high97.5Very high18 Ų1866.5 Ų66.511%0.10932%0.321CS..Hα-helixtrans-66.9-38.3178.2-179.10000111.2V191 W216 V228 P229 A236V191-V232 HydrophobicContact CG1-CG1 4.15Å; W216-V232 HydrophobicContact CH2-CG1 4.45Å; W216-V232 HydrophobicContact CZ3-CG1 4.4Å; V228-V232 HydrophobicContact CG1-CB 3.66Å; V228-V232 HydrophobicContact CG1-CG1 3.61Å; P229-V232 HydrophobicContact CB-CG2 4.25Å; P229-V232 PolarHBondContact O-N 2.7Å; P229-V232 VanDerWaalsContact O-N 3.15Å; V232-A236 WeakPolarHBondContact O-CB 3.47Å; V232-A236 PolarHBondContact O-N 2.91Å
233R97.7Very high97.3Very high40 Ų4059.6 Ų59.615%0.15129%0.285CS..Hα-helixtrans-64.3-46.4174.7174.1179.468.9168.56.3111.5E211 L214 V228 P229 K230 D231 E235 A236 E237E211-R233 IonicContact OE1-NH1 3.97Å; L214-R233 HydrophobicContact CD1-CB 4.24Å; L214-R233 HydrophobicContact CD1-CG 4.01Å; V228-R233 HydrophobicContact CG1-CB 4.38Å; P229-R233 PolarHBondContact O-N 2.94Å; K230-R233 PolarHBondContact O-N 3.17Å; D231-R233 PolarHBondContact O-N 2.9Å; R233-E235 VanDerWaalsContact C-N 3.31Å; R233-E235 PolarHBondContact O-N 3.35Å; R233-A236 PolarHBondContact O-N 3.32Å; R233-A236 VanDerWaalsContact O-N 3.17Å; R233-E237 HydrophobicContact CG-CG 4.34Å; R233-E237 WeakPolarHBondContact CG-OE1 3.43Å; R233-E237 IonicContact NE-OE1 3.59Å; R233-E237 WeakPolarHBondContact O-CG 3.47Å; R233-E237 PolarHBondContact O-N 3.42Å
234E97.3Very high97Very high94 Ų9461.1 Ų61.144%0.43929%0.291SS..Hα-helixtrans-63.2-37.7179.4-75.3174.4176.600111.7K230 D231 E237 K238K230-E234 WeakPolarHBondContact CE-OE1 3.43Å; K230-E234 HydrophobicContact CG-CG 4.44Å; K230-E234 IonicContact NZ-OE1 3.71Å; K230-E234 WeakPolarHBondContact O-CB 3.49Å; K230-E234 WeakPolarHBondContact O-CG 3.49Å; K230-E234 PolarHBondContact O-N 3.18Å; D231-E234 PolarHBondContact O-N 3.1Å; E234-E237 PolarHBondContact O-N 2.67Å; E234-K238 WeakPolarHBondContact O-CB 3.41Å; E234-K238 PolarHBondContact O-N 3.39Å
235E97.8Very high96.5Very high104 Ų10462.1 Ų62.149%0.48630%0.297SS..Hα-helixtrans-62.8-42.8172.3-170.9-172158.100111.9K192 D231 R233 K238 Y239K192-E235 WeakPolarHBondContact CE-OE1 3.32Å; K192-E235 IonicContact NZ-OE1 2.69Å; K192-E235 PolarHBondContact NZ-OE1 3.37Å; D231-E235 PolarHBondContact O-N 2.54Å; R233-E235 VanDerWaalsContact C-N 3.31Å; R233-E235 PolarHBondContact O-N 3.35Å; E235-K238 PolarHBondContact O-N 2.71Å; E235-Y239 WeakPolarHBondContact O-CB 3.44Å; E235-Y239 PolarHBondContact O-N 3.38Å
236A98.2Very high95.7Very high0 Ų069 Ų690%033%0.329CS..Hα-helixtrans-68.1-39.3178.300000112.7V191 K192 A195 L214 V232 R233 K238 Y239 A240V191-A236 HydrophobicContact CG1-CB 3.83Å; K192-A236 HydrophobicContact CG-CB 4.46Å; A195-A236 HydrophobicContact CB-CB 3.82Å; A195-A236 WeakPolarHBondContact CB-O 3.34Å; L214-A236 HydrophobicContact CD1-CB 4.44Å; V232-A236 WeakPolarHBondContact O-CB 3.47Å; V232-A236 PolarHBondContact O-N 2.91Å; R233-A236 PolarHBondContact O-N 3.32Å; R233-A236 VanDerWaalsContact O-N 3.17Å; A236-K238 VanDerWaalsContact C-N 3.34Å; A236-Y239 PolarHBondContact O-N 3.14Å; A236-A240 WeakPolarHBondContact O-CB 3.13Å; A236-A240 PolarHBondContact O-N 3.21Å
237E97.7Very high94.7Very high38 Ų3869.6 Ų69.618%0.17833%0.332CS..Hα-helixtrans-63.7-40.5173.4-74.1178.8-164.600111.6Y199 L212 R233 E234 A240 K241Y199-E237 HydrophobicContact CE2-CB 4.43Å; Y199-E237 HydrophobicContact CE2-CG 4.19Å; L212-E237 HydrophobicContact CB-CG 4.46Å; L212-E237 HydrophobicContact CD2-CG 3.72Å; R233-E237 HydrophobicContact CG-CG 4.34Å; R233-E237 WeakPolarHBondContact CG-OE1 3.43Å; R233-E237 IonicContact NE-OE1 3.59Å; R233-E237 WeakPolarHBondContact O-CG 3.47Å; R233-E237 PolarHBondContact O-N 3.42Å; E234-E237 PolarHBondContact O-N 2.67Å; E237-A240 PolarHBondContact O-N 3.4Å; E237-K241 WeakPolarHBondContact O-CG 3.35Å; E237-K241 PolarHBondContact O-N 3.23Å; E237-K241 VanDerWaalsContact O-N 3.15Å
238K97.6Very high93.5Very high132 Ų13270.8 Ų70.857%0.57434%0.339SS*.Hα-helixtrans-62.5-51.3175.2-174.4-176.5174.6-170.60110.8E234 E235 A236 A240 K241 D242E234-K238 WeakPolarHBondContact O-CB 3.41Å; E234-K238 PolarHBondContact O-N 3.39Å; E235-K238 PolarHBondContact O-N 2.71Å; A236-K238 VanDerWaalsContact C-N 3.34Å; K238-A240 VanDerWaalsContact C-N 3.26Å; K238-A240 PolarHBondContact O-N 3.09Å; K238-K241 PolarHBondContact O-N 3.13Å; K238-K241 VanDerWaalsContact O-N 3.14Å; K238-D242 WeakPolarHBondContact CE-OD2 3.49Å; K238-D242 VanDerWaalsContact O-CG 3.23Å; K238-D242 PolarHBondContact O-N 3.45Å
239Y97.6Very high92.2Very high79 Ų7975.3 Ų75.331%0.3136%0.362SS..Hα-helixtrans-54.2-42.6176.6172.5-95.8000112.7K192 K196 E235 A236 S243K192-Y239 HydrophobicContact CB-CD1 3.65Å; K192-Y239 HydrophobicContact CB-CE1 3.96Å; K192-Y239 HydrophobicContact CB-CG 4.16Å; K192-Y239 HydrophobicContact CD-CG 4.33Å; K192-Y239 HydrophobicContact CG-CD1 4.46Å; K196-Y239 HydrophobicContact CB-CD1 4.47Å; K196-Y239 HydrophobicContact CB-CE1 4.14Å; K196-Y239 HydrophobicContact CD-CE1 4.22Å; E235-Y239 WeakPolarHBondContact O-CB 3.44Å; E235-Y239 PolarHBondContact O-N 3.38Å; A236-Y239 PolarHBondContact O-N 3.14Å; Y239-S243 WeakPolarHBondContact O-CB 3.41Å; Y239-S243 PolarHBondContact O-N 2.87Å; Y239-S243 PolarHBondContact O-OG 3.19Å
240A96.9Very high90.7Very high0 Ų075.4 Ų75.40%036%0.364CS..Hα-helixtrans-63.5-40.2179.500000112.8A195 K196 Y199 A236 E237 K238 L244A195-A240 HydrophobicContact CB-CB 4.11Å; K196-A240 HydrophobicContact CB-CB 4.37Å; Y199-A240 HydrophobicContact CD2-CB 3.43Å; Y199-A240 VanDerWaalsContact CD2-CB 3.43Å; Y199-A240 HydrophobicContact CE2-CB 3.99Å; Y199-A240 HydrophobicContact CG-CB 3.92Å; A236-A240 WeakPolarHBondContact O-CB 3.13Å; A236-A240 PolarHBondContact O-N 3.21Å; E237-A240 PolarHBondContact O-N 3.4Å; K238-A240 VanDerWaalsContact C-N 3.26Å; K238-A240 PolarHBondContact O-N 3.09Å; A240-L244 PolarHBondContact O-N 2.74Å
241K94.9Very high89.1Confident96 Ų9674.2 Ų74.242%0.41736%0.364SS..Hα-helixtrans-71.6-47.4177.8-69.7172.2-175.4173.10111.9Y199 E237 K238 S243 L244 E245Y199-K241 HydrophobicContact CD1-CG 4.43Å; Y199-K241 HydrophobicContact CE1-CG 4.03Å; Y199-K241 WeakPolarHBondContact OH-CE 3.38Å; E237-K241 WeakPolarHBondContact O-CG 3.35Å; E237-K241 PolarHBondContact O-N 3.23Å; E237-K241 VanDerWaalsContact O-N 3.15Å; K238-K241 PolarHBondContact O-N 3.13Å; K238-K241 VanDerWaalsContact O-N 3.14Å; K241-S243 PolarHBondContact O-N 3.45Å; K241-L244 WeakPolarHBondContact O-CB 3.41Å; K241-L244 PolarHBondContact O-N 3.41Å; K241-E245 PolarHBondContact O-N 3.25Å; K241-E245 VanDerWaalsContact O-N 3.13Å
242D95.4Very high87.2Confident66 Ų6676.2 Ų76.235%0.35337%0.37SS..Hα-helixtrans-57.3-38.6177.6-62.3-4.4000110K238 L244 E245 E246K238-D242 WeakPolarHBondContact CE-OD2 3.49Å; K238-D242 VanDerWaalsContact O-CG 3.23Å; K238-D242 PolarHBondContact O-N 3.45Å; D242-L244 VanDerWaalsContact C-N 3.34Å; D242-L244 PolarHBondContact O-N 3.38Å; D242-E245 PolarHBondContact O-N 2.59Å; D242-E246 WeakPolarHBondContact O-CG 3.46Å; D242-E246 PolarHBondContact O-N 3.01Å; D242-E246 VanDerWaalsContact O-N 3.16Å
243S92.8Very high85.3Confident10 Ų1082.3 Ų82.37%0.0740%0.402CS..Hα-helixtrans-68.4-26.4177.4-60.40000114.6Y239 K241 E247Y239-S243 WeakPolarHBondContact O-CB 3.41Å; Y239-S243 PolarHBondContact O-N 2.87Å; Y239-S243 PolarHBondContact O-OG 3.19Å; K241-S243 PolarHBondContact O-N 3.45Å; S243-E247 WeakPolarHBondContact O-CG 3.11Å; S243-E247 PolarHBondContact O-N 3.14Å
244L89.9Confident83Confident43 Ų4387.1 Ų87.123%0.22543%0.431CS..Hα-helixtrans-78.9-40.9177-80.2165.8000110.7Y199 I200 A240 K241 D242 E246 E247 D248Y199-L244 HydrophobicContact CD1-CD1 4.33Å; Y199-L244 HydrophobicContact CG-CD1 4.45Å; I200-L244 HydrophobicContact CG1-CD2 3.98Å; A240-L244 PolarHBondContact O-N 2.74Å; K241-L244 WeakPolarHBondContact O-CB 3.41Å; K241-L244 PolarHBondContact O-N 3.41Å; D242-L244 VanDerWaalsContact C-N 3.34Å; D242-L244 PolarHBondContact O-N 3.38Å; L244-E246 VanDerWaalsContact C-N 3.34Å; L244-E246 PolarHBondContact O-N 2.76Å; L244-E247 PolarHBondContact O-N 3.5Å; L244-D248 PolarHBondContact O-N 3.13Å; L244-D248 VanDerWaalsContact O-N 3.08Å
245E88Confident80.6Confident125 Ų12593.4 Ų93.458%0.58446%0.463SS*.Hα-helixtrans-61.4-41.8176-66.9177.8-176.700111.3K241 D242 E247 D248 D249K241-E245 PolarHBondContact O-N 3.25Å; K241-E245 VanDerWaalsContact O-N 3.13Å; D242-E245 PolarHBondContact O-N 2.59Å; E245-E247 PolarHBondContact O-N 2.86Å; E245-D248 PolarHBondContact O-N 3.08Å; E245-D249 PolarHBondContact O-N 2.71Å
246E83.8Confident79.7Confident144 Ų14492.9 Ų92.967%0.67346%0.462SS*.Hα-helixtrans-65.1-34.1176.5-73-179.1-178.200113.6D242 L244 S250D242-E246 WeakPolarHBondContact O-CG 3.46Å; D242-E246 PolarHBondContact O-N 3.01Å; D242-E246 VanDerWaalsContact O-N 3.16Å; L244-E246 VanDerWaalsContact C-N 3.34Å; L244-E246 PolarHBondContact O-N 2.76Å; E246-S250 WeakPolarHBondContact O-CB 3.28Å; E246-S250 PolarHBondContact O-N 2.7Å
247E75.9Confident78.8Confident84 Ų8497.8 Ų97.839%0.39349%0.486SS..Hα-helixtrans-71.4-43.4177.3-78.5177.5-16100110.6K196 S243 L244 E245 S250 D251K196-E247 IonicContact NZ-OE1 3.93Å; K196-E247 PolarHBondContact NZ-OE1 3.17Å; S243-E247 WeakPolarHBondContact O-CG 3.11Å; S243-E247 PolarHBondContact O-N 3.14Å; L244-E247 PolarHBondContact O-N 3.5Å; E245-E247 PolarHBondContact O-N 2.86Å; E247-S250 PolarHBondContact O-N 3.09Å; E247-S250 PolarHBondContact O-OG 3.19Å; E247-D251 PolarHBondContact O-N 3.28Å
248D74.5Confident77.7Confident109 Ų109101.1 Ų101.158%0.58350%0.503SS*.Hα-helixtrans-63.1-44.9178.1-73.5-19.7000112.3L244 E245 S250 D251 E252L244-D248 PolarHBondContact O-N 3.13Å; L244-D248 VanDerWaalsContact O-N 3.08Å; E245-D248 PolarHBondContact O-N 3.08Å; D248-S250 VanDerWaalsContact C-N 3.28Å; D248-S250 PolarHBondContact O-N 2.89Å; D248-D251 PolarHBondContact O-N 2.73Å; D248-E252 PolarHBondContact O-N 3.27Å
249D70.9Confident76.5Confident106 Ų10699.3 Ų99.357%0.56750%0.499SS*.Hα-helixtrans-63-35.5177.8-78.1-12.1000111.8E245 D251 E252 D253E245-D249 PolarHBondContact O-N 2.71Å; D249-D251 VanDerWaalsContact C-N 3.33Å; D249-D251 PolarHBondContact O-N 2.95Å; D249-E252 PolarHBondContact O-N 3.1Å; D249-D253 PolarHBondContact O-N 3.32Å
250S65.4Low75.2Confident55 Ų55100.6 Ų100.639%0.38551%0.511SS..Hα-helixtrans-71.6-26.4-179.577.90000113.9E246 E247 D248 N254E246-S250 WeakPolarHBondContact O-CB 3.28Å; E246-S250 PolarHBondContact O-N 2.7Å; E247-S250 PolarHBondContact O-N 3.09Å; E247-S250 PolarHBondContact O-OG 3.19Å; D248-S250 VanDerWaalsContact C-N 3.28Å; D248-S250 PolarHBondContact O-N 2.89Å; S250-N254 PolarHBondContact O-ND2 2.98Å
251D62.9Low73.8Confident107 Ų107107.3 Ų107.357%0.57255%0.545SS*.Hα-helixtrans-81.5-30.8175.8-83-14.7000111.7E247 D248 D249E247-D251 PolarHBondContact O-N 3.28Å; D248-D251 PolarHBondContact O-N 2.73Å; D249-D251 VanDerWaalsContact C-N 3.33Å; D249-D251 PolarHBondContact O-N 2.95Å
252E59Low72.3Confident150 Ų150108.1 Ų108.170%0.70155%0.554SS**Hα-helixtrans-70.5-38.4173.4-72.3-162.3167.800112.8D248 D249 N254 M255D248-E252 PolarHBondContact O-N 3.27Å; D249-E252 PolarHBondContact O-N 3.1Å; E252-N254 PolarHBondContact O-N 2.79Å; E252-M255 PolarHBondContact O-N 2.9Å
253D57.3Low70.5Confident146 Ų146111.3 Ų111.378%0.78157%0.57SS**THydrogen-bonded Turntrans-70.3-14.2178.6-87.5-17.1000113.8D249D249-D253 PolarHBondContact O-N 3.32Å
254N49.2Very low68.7Low141 Ų141119.8 Ų119.875%0.75461%0.611SS**THydrogen-bonded Turntrans-101.25.2179.8-76.9-49000114.2S250 E252S250-N254 PolarHBondContact O-ND2 2.98Å; E252-N254 PolarHBondContact O-N 2.79Å
255M47Very low66.7Low227 Ų227126.7 Ų126.7100%1.11865%0.646SS**  trans-1020172.1-70.6-159.9-170.600113.2E252E252-M255 PolarHBondContact O-N 2.9Å

Retrieved 255 of 255 residues in 272.1 ms (Link to these results)

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