A0A023IM52_RAT Loading...

RT1-DOb

Involved in the presentation of foreign antigens to the immune system.

AlphaFold DB , UniProt , Accession A0A023IM52, Species RAT (Rattus norvegicus, Rat), Gene RT1-DOb, Length 272 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
1M34.6Very low38.5Very low255 Ų255140.7 Ų140.7100%1.25684%0.837SS**  0116.20-67.3158.1157.800106.2
2G34.6Very low38.5Very low72 Ų72141.8 Ų141.874%0.74283%0.834SS**  cis154.6128.69.700000105.5
3A35.3Very low38.6Very low115 Ų115142.2 Ų142.295%0.9583%0.83SS**  trans59.4135.316500000117.5
4G33.7Very low38.8Very low68 Ų68140.8 Ų140.870%0.70182%0.823SS**  cis152.3171.811.800000108.7
5R37.3Very low38.8Very low253 Ų253140.5 Ų140.596%0.95582%0.817SS**  trans97.196171.2-58.1-176.7-177.6-162.30.5117.2
6A39Very low38.9Very low88 Ų88141.9 Ų141.973%0.72782%0.819SS**  trans-66.2-179.6134.300000109
7P50.4Low39Very low99 Ų99143.5 Ų143.564%0.64382%0.82SS**  cis-146.5141.45.136.7-16.3000115.3
8W34.2Very low39.4Very low254 Ų254147.1 Ų147.196%0.96282%0.818SS**  trans-140.197.2168.8-56.462.5000110.8
9V44.7Very low39.7Very low132 Ų132145 Ų14580%0.881%0.812SS**  trans-27.8125156.4177.90000113.8
10V40Very low39.7Very low126 Ų126145.2 Ų145.276%0.76481%0.811SS**  trans-145.595.1137.7-174.60000108.3L12V10-L12 HydrophobicContact CG1-CG 4.07Å; V10-L12 PolarHBondContact O-N 2.94Å
11A40Very low40Very low86 Ų86142.2 Ų142.271%0.71180%0.8SS**  trans-77.7104.6160.300000107.5L13A11-L13 PolarHBondContact O-N 3.48Å
12L38.6Very low40.3Very low153 Ų153138.7 Ų138.780%0.80178%0.778SS**  trans-81.992.2166.5-92.7162.5000108.2V10 V14V10-L12 HydrophobicContact CG1-CG 4.07Å; V10-L12 PolarHBondContact O-N 2.94Å; L12-V14 VanDerWaalsContact C-N 3.32Å; L12-V14 PolarHBondContact O-N 3.08Å; L12-V14 VanDerWaalsContact O-N 3.09Å
13L39.5Very low40.7Very low148 Ų148142.6 Ų142.678%0.77578%0.779SS**  trans-70.592.3160.4-74.6166.5000107.6A11 N15A11-L13 PolarHBondContact O-N 3.48Å; L13-N15 VanDerWaalsContact C-N 3.29Å; L13-N15 PolarHBondContact O-N 2.91Å
14V41.6Very low41.4Very low122 Ų122142.5 Ų142.574%0.73977%0.766SS**  trans-70.298159.4-178.90000105.5L12 L16L12-V14 VanDerWaalsContact C-N 3.32Å; L12-V14 PolarHBondContact O-N 3.08Å; L12-V14 VanDerWaalsContact O-N 3.09Å; V14-L16 PolarHBondContact O-N 2.84Å
15N39.2Very low42.1Very low136 Ų136147.6 Ų147.673%0.72777%0.772SS**  trans-55.7107.3165.3-81.5-53.6000107.2L13 M17L13-N15 VanDerWaalsContact C-N 3.29Å; L13-N15 PolarHBondContact O-N 2.91Å; N15-M17 PolarHBondContact O-N 3.43Å
16L39.6Very low42.9Very low163 Ų163138.2 Ų138.285%0.85375%0.754SS**  trans-61.880.5159-86.7152.9000107.1V14 R18V14-L16 PolarHBondContact O-N 2.84Å; L16-R18 PolarHBondContact O-N 3.14Å
17M41.1Very low43.7Very low170 Ų170144.7 Ų144.784%0.83776%0.76SS**  trans-65.790.1146.8-73.3-160.3-75.200104.8N15 P19N15-M17 PolarHBondContact O-N 3.43Å; M17-P19 WeakPolarHBondContact O-CD 3.43Å; M17-P19 VanDerWaalsContact O-N 3.16Å
18R45.7Very low44.4Very low207 Ų207147.8 Ų147.878%0.78177%0.771SS**  trans-52.8116.1150.8-111.1-177.2171.4115.8-2.6103.9L16 D20L16-R18 PolarHBondContact O-N 3.14Å; R18-D20 VanDerWaalsContact C-N 3.33Å; R18-D20 PolarHBondContact O-N 3.38Å; R18-D20 VanDerWaalsContact O-N 3.07Å
19P45.4Very low46.1Very low108 Ų108140.6 Ų140.670%0.70176%0.759SS**  trans-58117.6148.52.813.5000102.6M17 S21M17-P19 WeakPolarHBondContact O-CD 3.43Å; M17-P19 VanDerWaalsContact O-N 3.16Å; P19-S21 PolarHBondContact O-N 2.73Å
20D39.9Very low47.9Very low148 Ų148139.9 Ų139.979%0.79176%0.758SS**  trans-57.891.8152.6-82.5-30.2000103.7R18 F22R18-D20 VanDerWaalsContact C-N 3.33Å; R18-D20 PolarHBondContact O-N 3.38Å; R18-D20 VanDerWaalsContact O-N 3.07Å; D20-F22 PolarHBondContact O-N 3.26Å
21S45.3Very low50.3Low84 Ų84142.5 Ų142.559%0.58776%0.762SS**  trans-56.692.9153.447.70000102.5P19 M23P19-S21 PolarHBondContact O-N 2.73Å; S21-M23 PolarHBondContact O-N 3.44Å
22F41.6Very low52.9Low181 Ų181144.3 Ų144.379%0.79476%0.759SS**  trans-6075.7149.6-153.3-89.7000103.8D20 V24D20-F22 PolarHBondContact O-N 3.26Å; F22-V24 HydrophobicContact CD1-CG2 3.81Å; F22-V24 HydrophobicContact CE1-CG2 4.08Å; F22-V24 PolarHBondContact O-N 2.9Å
23M42.2Very low55.6Low153 Ų153143.7 Ų143.775%0.75475%0.75SS**  trans-57.5101.6152.2-69.1-158.6174.300101S21 E25S21-M23 PolarHBondContact O-N 3.44Å; M23-E25 PolarHBondContact O-N 3.29Å
24V51.3Low58.3Low114 Ų114139.3 Ų139.369%0.69173%0.73SS**  trans-53.995.5150.8177.40000102F22 G26F22-V24 HydrophobicContact CD1-CG2 3.81Å; F22-V24 HydrophobicContact CE1-CG2 4.08Å; F22-V24 PolarHBondContact O-N 2.9Å; V24-G26 PolarHBondContact O-N 3.02Å
25E48.5Very low61Low174 Ų174139.4 Ų139.481%0.81373%0.725SS**  trans-62.186.4162.7-168.1135.9-157.400102.7M23 R27M23-E25 PolarHBondContact O-N 3.29Å; E25-R27 PolarHBondContact O-N 3.48Å
26G52.5Low63.8Low57 Ų57136.2 Ų136.259%0.58871%0.706SS**  trans-57.797.316600000102.8V24 D28V24-G26 PolarHBondContact O-N 3.02Å; G26-D28 PolarHBondContact O-N 3.48Å
27R57Low66.6Low224 Ų224131.9 Ų131.985%0.84569%0.693SS**  trans-45123.2163.6-77.3178.9-177163.81.7104.7E25 S29E25-R27 PolarHBondContact O-N 3.48Å; R27-S29 VanDerWaalsContact C-N 3.29Å; R27-S29 PolarHBondContact O-N 3.42Å
28D64.6Low69.3Low163 Ų163128.5 Ų128.587%0.87267%0.674SS**  trans-42104169.9-88.1-30.7000106.6G26G26-D28 PolarHBondContact O-N 3.48Å
29S69.6Low71.8Confident103 Ų103122.1 Ų122.172%0.7267%0.666SS**PPolyproline II helixtrans-64.7129.5168.5-64.40000103.7R27 E31R27-S29 VanDerWaalsContact C-N 3.29Å; R27-S29 PolarHBondContact O-N 3.42Å; S29-E31 PolarHBondContact O-N 3.01Å
30P83.6Confident74.3Confident118 Ų118119.6 Ų119.677%0.76664%0.644SS**PPolyproline II helixtrans-51.6135.3-179.819.7-30.1000108.8D32P30-D32 PolarHBondContact O-N 3.34Å; P30-D32 VanDerWaalsContact O-N 3.11Å
31E89.5Confident77.1Confident181 Ų181114.4 Ų114.485%0.84662%0.619SS**PPolyproline II helixtrans-55.6120.3178-66.3-175.8161.600108.9S29 F33S29-E31 PolarHBondContact O-N 3.01Å; E31-F33 HydrophobicContact CB-CE2 4.27Å
32D93.9Very high79.6Confident123 Ų123114.9 Ų114.966%0.65861%0.609SS**  trans-132.9140.6-178.6-17432.3000110P30P30-D32 PolarHBondContact O-N 3.34Å; P30-D32 VanDerWaalsContact O-N 3.11Å
33F95.4Very high82.3Confident140 Ų140109.8 Ų109.861%0.61459%0.586SS**  trans-137124.6-177.5-59.4-83.3000109.2E31 F58E31-F33 HydrophobicContact CB-CE2 4.27Å; F33-F58 HydrophobicContact CB-CE2 4.43Å; F33-F58 AromaticContact CD1-CZ 3.83Å; F33-F58 HydrophobicContact CD1-CZ 3.83Å
34V97.6Very high84.9Confident57 Ų57106.6 Ų106.635%0.34558%0.575SS.*  trans-121.7124.5-174.6-174.70000109.7Q36 N59V34-Q36 HydrophobicContact CG1-CG 3.73Å; V34-N59 PolarHBondContact N-OD1 3.3Å; V34-N59 PolarHBondContact O-N 3.01Å
35I97.5Very high87Confident124 Ų124107.1 Ų107.164%0.63658%0.575SS**EExtended strand (participates in β ladder)trans-105.1133.2166.2-167.5169.6000109.4I57I35-I57 WeakPolarHBondContact CA-O 3.43Å
36Q98.4Very high89.2Confident69 Ų69100.1 Ų100.132%0.32255%0.549SS..EExtended strand (participates in β ladder)trans-129.8143.2180-46173.651.400109.3V34 I57 N59V34-Q36 HydrophobicContact CG1-CG 3.73Å; Q36-I57 HydrophobicContact CB-CB 4.21Å; Q36-I57 PolarHBondContact N-O 3.45Å; Q36-I57 PolarHBondContact O-N 2.93Å; Q36-N59 PolarHBondContact NE2-O 3.46Å
37A97.8Very high91.3Very high72 Ų7299.3 Ų99.360%0.59553%0.533SS*.EExtended strand (participates in β ladder)trans-125.3132.2168.400000109R55 F56A37-R55 CarbonylContact C-O 3.4Å; A37-R55 VanDerWaalsContact CA-O 3.29Å; A37-R55 WeakPolarHBondContact CA-O 3.35Å; A37-F56 HydrophobicContact CB-CD1 4.37Å; A37-F56 HydrophobicContact CB-CE1 4.45Å
38K98.4Very high93.1Very high98 Ų9895.3 Ų95.343%0.42652%0.524SS..EExtended strand (participates in β ladder)trans-120.4114.6177-63.3-176.2-178.9178.70109.2E40 V54 R55 I57K38-E40 HydrophobicContact CB-CG 4.28Å; K38-V54 CarbonylContact O-C 3.5Å; K38-V54 VanDerWaalsContact O-CA 3.28Å; K38-V54 WeakPolarHBondContact O-CA 3.47Å; K38-R55 HydrophobicContact CB-CB 4.43Å; K38-R55 PolarHBondContact N-O 3.36Å; K38-R55 PolarHBondContact O-N 2.86Å; K38-I57 HydrophobicContact CD-CD1 4.02Å; K38-I57 HydrophobicContact CG-CD1 4.28Å
39A97.9Very high94.6Very high74 Ų7494 Ų9461%0.61251%0.51SS*.EExtended strand (participates in β ladder)trans-98.4103.2173.500000108.9F52 V54A39-F52 HydrophobicContact CB-CE2 4.04Å; A39-F52 HydrophobicContact CB-CZ 4.31Å; A39-V54 HydrophobicContact CB-CG2 4.38Å
40E98.3Very high96Very high55 Ų5589.7 Ų89.726%0.25748%0.48SS..EExtended strand (participates in β ladder)trans-106.8132.5-172.2-58.8179115.500110.3K38 Y42 F52 L53 R55K38-E40 HydrophobicContact CB-CG 4.28Å; E40-Y42 HydrophobicContact CB-CD2 4.48Å; E40-Y42 HydrophobicContact CB-CE2 3.79Å; E40-Y42 VanDerWaalsContact CD-OH 3.26Å; E40-Y42 PolarHBondContact OE1-OH 2.97Å; E40-Y42 PolarHBondContact OE2-OH 3.47Å; E40-Y42 VanDerWaalsContact OE2-OH 3.06Å; E40-F52 WeakPolarHBondContact O-CA 3.37Å; E40-F52 WeakPolarHBondContact O-CD2 3.27Å; E40-L53 HydrophobicContact CB-CB 4.48Å; E40-L53 PolarHBondContact N-O 3.35Å; E40-L53 PolarHBondContact O-N 3.35Å; E40-R55 WeakPolarHBondContact OE2-CD 3.3Å; E40-R55 IonicContact OE2-CZ 3.93Å; E40-R55 IonicContact OE2-NE 2.81Å; E40-R55 PolarHBondContact OE2-NE 3.48Å; E40-R55 IonicContact OE2-NH2 3.64Å
41C98.4Very high96.7Very high38 Ų3888.3 Ų88.326%0.25746%0.459SS..EExtended strand (participates in β ladder)trans-114.4112.8173.1-64.50000108.8F43 C105C41-F43 HydrophobicContact CB-CD2 4.37Å; C41-F43 HydrophobicContact CB-CE1 4.39Å; C41-F43 HydrophobicContact CB-CE2 3.46Å; C41-F43 VanDerWaalsContact CB-CE2 3.46Å; C41-F43 HydrophobicContact CB-CZ 3.47Å; C41-F43 VanDerWaalsContact CB-CZ 3.47Å; C41-F43 WeakPolarHBondContact O-CD2 3.32Å; C41-F43 WeakPolarHBondContact O-CE2 3.31Å; C41-C105 HydrophobicContact CB-CB 3.57Å; C41-C105 WeakPolarHBondContact CB-SG 3.47Å; C41-C105 WeakPolarHBondContact SG-CA 3.33Å; C41-C105 WeakPolarHBondContact SG-CB 3.29Å; C41-C105 CovalentContact SG-SG 2.03Å; C41-C105 PolarHBondContact SG-SG 3.13Å
42Y98.2Very high97.1Very high95 Ų9580.3 Ų80.337%0.37342%0.422SS..EExtended strand (participates in β ladder)trans-95.8121.9175.9-60-85.1000109.5E40 V50 R51 L53E40-Y42 HydrophobicContact CB-CD2 4.48Å; E40-Y42 HydrophobicContact CB-CE2 3.79Å; E40-Y42 VanDerWaalsContact CD-OH 3.26Å; E40-Y42 PolarHBondContact OE1-OH 2.97Å; E40-Y42 PolarHBondContact OE2-OH 3.47Å; E40-Y42 VanDerWaalsContact OE2-OH 3.06Å; Y42-V50 WeakPolarHBondContact O-CA 3.23Å; Y42-R51 PolarHBondContact N-O 3.1Å; Y42-R51 PolarHBondContact O-N 3.3Å; Y42-L53 HydrophobicContact CE2-CB 4.04Å; Y42-L53 HydrophobicContact CE2-CD2 4.01Å
43F98Very high97.4Very high73 Ų7374.6 Ų74.632%0.3239%0.391SS..EExtended strand (participates in β ladder)trans-108.6129.2-176.9-61.4-79.3000109.8C41 G46 V50 C105 Y109C41-F43 HydrophobicContact CB-CD2 4.37Å; C41-F43 HydrophobicContact CB-CE1 4.39Å; C41-F43 HydrophobicContact CB-CE2 3.46Å; C41-F43 VanDerWaalsContact CB-CE2 3.46Å; C41-F43 HydrophobicContact CB-CZ 3.47Å; C41-F43 VanDerWaalsContact CB-CZ 3.47Å; C41-F43 WeakPolarHBondContact O-CD2 3.32Å; C41-F43 WeakPolarHBondContact O-CE2 3.31Å; F43-G46 WeakPolarHBondContact CB-O 3.46Å; F43-V50 HydrophobicContact CD1-CG1 4.21Å; F43-V50 HydrophobicContact CD1-CG2 3.89Å; F43-V50 HydrophobicContact CE1-CG1 4.01Å; F43-V50 HydrophobicContact CE1-CG2 4.2Å; F43-C105 HydrophobicContact CE1-CB 4.01Å; F43-C105 WeakPolarHBondContact CE1-O 3.46Å; F43-C105 HydrophobicContact CZ-CB 3.92Å; F43-C105 VanDerWaalsContact CZ-O 3.29Å; F43-C105 WeakPolarHBondContact CZ-O 3.49Å; F43-Y109 HydrophobicContact CB-CD2 4.38Å; F43-Y109 HydrophobicContact CB-CE2 4.28Å; F43-Y109 AromaticContact CD1-CD2 3.58Å; F43-Y109 HydrophobicContact CD1-CD2 3.58Å; F43-Y109 HydrophobicContact CD1-CE2 4.23Å; F43-Y109 HydrophobicContact CD1-CG 4.15Å; F43-Y109 AromaticContact CD2-CD2 3.97Å; F43-Y109 HydrophobicContact CD2-CD2 3.97Å; F43-Y109 AromaticContact CE1-CD2 3.74Å; F43-Y109 HydrophobicContact CE1-CD2 3.74Å; F43-Y109 AromaticContact CE1-CG 4Å; F43-Y109 HydrophobicContact CE1-CG 4Å; F43-Y109 HydrophobicContact CE2-CD2 4.1Å; F43-Y109 AromaticContact CG-CD2 3.7Å; F43-Y109 HydrophobicContact CG-CD2 3.7Å; F43-Y109 HydrophobicContact CG-CE2 4.09Å; F43-Y109 AromaticContact CZ-CD2 3.99Å; F43-Y109 HydrophobicContact CZ-CD2 3.99Å; F43-Y109 HydrophobicContact CZ-CG 4.38Å
44T97.2Very high97.5Very high86 Ų8669 Ų6953%0.52837%0.368SS..EExtended strand (participates in β ladder)trans-128.5128.8173.2-53.20000109.2K49T44-K49 PolarHBondContact N-O 3.37Å; T44-K49 PolarHBondContact O-N 3.21Å
45N95.3Very high97.5Very high126 Ų12669.4 Ų69.467%0.67436%0.363SS*.THydrogen-bonded Turntrans52.159.4-171.5-161.124.5000112.1T47 E48N45-T47 PolarHBondContact O-N 3.48Å; N45-E48 HydrophobicContact CB-CB 4.32Å; N45-E48 PolarHBondContact ND2-OE2 3.04Å; N45-E48 WeakPolarHBondContact O-CB 3.4Å; N45-E48 PolarHBondContact O-N 3.35Å
46G93.8Very high97.6Very high27 Ų2765.3 Ų65.328%0.27834%0.341SS..THydrogen-bonded Turntrans65.3-119.1-174.100000111.5F43 Y109F43-G46 WeakPolarHBondContact CB-O 3.46Å; G46-Y109 WeakPolarHBondContact CA-OH 3.49Å
47T96.3Very high97.6Very high39 Ų3962.7 Ų62.724%0.23933%0.329CS..THydrogen-bonded Turntrans-100.66.6177.562.70000113.2N45 V50 R106 Y109N45-T47 PolarHBondContact O-N 3.48Å; T47-V50 WeakPolarHBondContact O-CG2 3.28Å; T47-R106 PolarHBondContact O-NH1 2.87Å; T47-R106 PolarHBondContact O-NH2 2.88Å; T47-R106 VanDerWaalsContact O-NH2 3.11Å; T47-Y109 HydrophobicContact CG2-CD1 3.35Å; T47-Y109 HydrophobicContact CG2-CD2 4.45Å; T47-Y109 HydrophobicContact CG2-CE1 3.86Å; T47-Y109 HydrophobicContact CG2-CG 3.7Å
48E94.9Very high97.6Very high141 Ų14162.7 Ų62.766%0.65932%0.316SS*.THydrogen-bonded Turntrans-58.4-57.5-177-172.3179.917200111.5N45 R106N45-E48 HydrophobicContact CB-CB 4.32Å; N45-E48 PolarHBondContact ND2-OE2 3.04Å; N45-E48 WeakPolarHBondContact O-CB 3.4Å; N45-E48 PolarHBondContact O-N 3.35Å; E48-R106 PolarHBondContact O-NH2 2.71Å
49K97.4Very high97.5Very high134 Ų13460.8 Ų60.858%0.58331%0.31SS*.EExtended strand (participates in β ladder)trans-110.2122.8174.2-175.3178.4-177.8-178.90109.8T44T44-K49 PolarHBondContact N-O 3.37Å; T44-K49 PolarHBondContact O-N 3.21Å
50V98.3Very high97.5Very high14 Ų1465.3 Ų65.39%0.08532%0.323CS..EExtended strand (participates in β ladder)trans-131.4125.4-178.9-176.70000108.8Y42 F43 T47 V101 C105 R106Y42-V50 WeakPolarHBondContact O-CA 3.23Å; F43-V50 HydrophobicContact CD1-CG1 4.21Å; F43-V50 HydrophobicContact CD1-CG2 3.89Å; F43-V50 HydrophobicContact CE1-CG1 4.01Å; F43-V50 HydrophobicContact CE1-CG2 4.2Å; T47-V50 WeakPolarHBondContact O-CG2 3.28Å; V50-V101 HydrophobicContact CB-CG1 3.97Å; V50-V101 HydrophobicContact CG1-CG1 3.97Å; V50-C105 HydrophobicContact CG1-CB 3.57Å; V50-R106 HydrophobicContact CG2-CG 4.06Å
51R98.3Very high97.5Very high88 Ų8867 Ų6733%0.33233%0.331SS..EExtended strand (participates in β ladder)trans-112.8129.1171.5-179.7-177.9177.8-159.93.7109Y42 D67 S68 D69Y42-R51 PolarHBondContact N-O 3.1Å; Y42-R51 PolarHBondContact O-N 3.3Å; R51-D67 IonicContact CZ-OD1 3.97Å; R51-D67 IonicContact CZ-OD2 3.1Å; R51-D67 IonicContact NE-OD1 3.68Å; R51-D67 PolarHBondContact NE-OD1 3.5Å; R51-D67 IonicContact NE-OD2 2.71Å; R51-D67 PolarHBondContact NE-OD2 3.49Å; R51-D67 IonicContact NH2-OD1 2.7Å; R51-D67 IonicContact NH2-OD2 3.34Å; R51-D67 PolarHBondContact NH2-OD2 3.47Å; R51-S68 WeakPolarHBondContact CA-OG 3.32Å; R51-D69 WeakPolarHBondContact CD-OD2 3.47Å; R51-D69 IonicContact NE-OD2 3.89Å
52F98.6Very high97.5Very high14 Ų1467.1 Ų67.16%0.06133%0.328CS..EExtended strand (participates in β ladder)trans-105.4127.3174178.7-118.3000109.3A39 E40 V54 F66 S68 A100 V101 C105A39-F52 HydrophobicContact CB-CE2 4.04Å; A39-F52 HydrophobicContact CB-CZ 4.31Å; E40-F52 WeakPolarHBondContact O-CA 3.37Å; E40-F52 WeakPolarHBondContact O-CD2 3.27Å; F52-V54 HydrophobicContact CD1-CG2 4.14Å; F52-V54 HydrophobicContact CE1-CG2 3.26Å; F52-V54 HydrophobicContact CE2-CG2 3.93Å; F52-V54 HydrophobicContact CZ-CG2 3.15Å; F52-F66 HydrophobicContact CD1-CD1 4.1Å; F52-F66 HydrophobicContact CD1-CE1 4.13Å; F52-F66 HydrophobicContact CE1-CD1 4.4Å; F52-S68 PolarHBondContact N-OG 3.11Å; F52-S68 WeakPolarHBondContact O-CB 3.07Å; F52-S68 PolarHBondContact O-N 3.21Å; F52-S68 PolarHBondContact O-OG 2.87Å; F52-A100 HydrophobicContact CD1-CB 3.64Å; F52-A100 HydrophobicContact CE1-CB 3.35Å; F52-A100 HydrophobicContact CE2-CB 4.39Å; F52-A100 HydrophobicContact CG-CB 4.26Å; F52-A100 HydrophobicContact CZ-CB 3.76Å; F52-V101 HydrophobicContact CB-CG2 3.69Å; F52-C105 WeakPolarHBondContact CD2-SG 3.4Å
53L98.5Very high97.5Very high3 Ų363.4 Ų63.42%0.01631%0.313CS..EExtended strand (participates in β ladder)trans-130.8122.6-178.6-176.867.9000108.8E40 Y42 R55 H65 F66 D67E40-L53 HydrophobicContact CB-CB 4.48Å; E40-L53 PolarHBondContact N-O 3.35Å; E40-L53 PolarHBondContact O-N 3.35Å; Y42-L53 HydrophobicContact CE2-CB 4.04Å; Y42-L53 HydrophobicContact CE2-CD2 4.01Å; L53-R55 HydrophobicContact CD2-CG 4.22Å; L53-R55 VanDerWaalsContact CD2-CZ 3.45Å; L53-R55 HydrophobicContact CG-CG 4.12Å; L53-H65 HydrophobicContact CD1-CB 4.12Å; L53-F66 CarbonylContact C-O 3.56Å; L53-F66 VanDerWaalsContact CA-O 3.31Å; L53-F66 WeakPolarHBondContact CA-O 3.49Å; L53-F66 WeakPolarHBondContact CD1-O 3.38Å; L53-D67 HydrophobicContact CD1-CB 3.97Å
54V98.3Very high97.5Very high21 Ų2160 Ų6013%0.12730%0.298CS..EExtended strand (participates in β ladder)trans-110.8115.2172.7-172.20000108.7K38 A39 F52 F56 H65 F66K38-V54 CarbonylContact O-C 3.5Å; K38-V54 VanDerWaalsContact O-CA 3.28Å; K38-V54 WeakPolarHBondContact O-CA 3.47Å; A39-V54 HydrophobicContact CB-CG2 4.38Å; F52-V54 HydrophobicContact CD1-CG2 4.14Å; F52-V54 HydrophobicContact CE1-CG2 3.26Å; F52-V54 HydrophobicContact CE2-CG2 3.93Å; F52-V54 HydrophobicContact CZ-CG2 3.15Å; V54-F56 HydrophobicContact CB-CE2 4.18Å; V54-F56 HydrophobicContact CG1-CD2 4.33Å; V54-F56 HydrophobicContact CG1-CE2 3.57Å; V54-F56 HydrophobicContact CG1-CZ 3.68Å; V54-H65 CarbonylContact O-C 3.55Å; V54-H65 WeakPolarHBondContact O-CA 3.43Å; V54-H65 WeakPolarHBondContact O-CB 3.17Å; V54-F66 HydrophobicContact CB-CB 4.3Å; V54-F66 PolarHBondContact N-O 3.28Å; V54-F66 PolarHBondContact O-N 3.43Å
55R98.5Very high97.5Very high66 Ų6657 Ų5725%0.24928%0.278CS..EExtended strand (participates in β ladder)trans-100.7135.9178.1-56.9177.8-176.6-97.81.7110.5A37 K38 E40 L53 I57 E62 H65A37-R55 CarbonylContact C-O 3.4Å; A37-R55 VanDerWaalsContact CA-O 3.29Å; A37-R55 WeakPolarHBondContact CA-O 3.35Å; K38-R55 HydrophobicContact CB-CB 4.43Å; K38-R55 PolarHBondContact N-O 3.36Å; K38-R55 PolarHBondContact O-N 2.86Å; E40-R55 WeakPolarHBondContact OE2-CD 3.3Å; E40-R55 IonicContact OE2-CZ 3.93Å; E40-R55 IonicContact OE2-NE 2.81Å; E40-R55 PolarHBondContact OE2-NE 3.48Å; E40-R55 IonicContact OE2-NH2 3.64Å; L53-R55 HydrophobicContact CD2-CG 4.22Å; L53-R55 VanDerWaalsContact CD2-CZ 3.45Å; L53-R55 HydrophobicContact CG-CG 4.12Å; R55-I57 HydrophobicContact CB-CD1 4.41Å; R55-I57 HydrophobicContact CB-CG1 4.48Å; R55-E62 HydrophobicContact CB-CG 4.18Å; R55-E62 WeakPolarHBondContact CD-OE2 3.3Å; R55-E62 WeakPolarHBondContact CG-OE1 3.45Å; R55-E62 IonicContact CZ-OE1 3.31Å; R55-E62 IonicContact CZ-OE2 3.83Å; R55-E62 IonicContact NE-OE2 3.47Å; R55-E62 VanDerWaalsContact NH1-CD 3.3Å; R55-E62 IonicContact NH1-OE1 3.4Å; R55-E62 PolarHBondContact NH1-OE1 3.03Å; R55-E62 VanDerWaalsContact NH1-OE1 3.1Å; R55-E62 IonicContact NH1-OE2 3.42Å; R55-E62 PolarHBondContact NH1-OE2 3.46Å; R55-H65 HydrophobicContact CG-CB 4.39Å
56F98.4Very high97.7Very high39 Ų3951 Ų5117%0.17125%0.246CC..EExtended strand (participates in β ladder)trans-112.5123.9173.2-61.3-95.1000108.7A37 V54 E62 Y63 L64 F73 W87A37-F56 HydrophobicContact CB-CD1 4.37Å; A37-F56 HydrophobicContact CB-CE1 4.45Å; V54-F56 HydrophobicContact CB-CE2 4.18Å; V54-F56 HydrophobicContact CG1-CD2 4.33Å; V54-F56 HydrophobicContact CG1-CE2 3.57Å; V54-F56 HydrophobicContact CG1-CZ 3.68Å; F56-E62 WeakPolarHBondContact O-CA 3.31Å; F56-Y63 HydrophobicContact CB-CD1 4.4Å; F56-Y63 HydrophobicContact CB-CE1 3.7Å; F56-Y63 HydrophobicContact CB-CE2 4.22Å; F56-Y63 VanDerWaalsContact O-CD1 3.31Å; F56-Y63 WeakPolarHBondContact O-CD1 3.43Å; F56-Y63 PolarHBondContact O-N 2.92Å; F56-L64 HydrophobicContact CB-CD2 4.43Å; F56-L64 HydrophobicContact CD2-CD2 3.3Å; F56-L64 HydrophobicContact CE2-CD2 3.75Å; F56-L64 HydrophobicContact CG-CD2 4.06Å; F56-L64 PolarHBondContact N-O 3.48Å; F56-F73 HydrophobicContact CE2-CE1 4.15Å; F56-W87 HydrophobicContact CD1-CH2 4.05Å; F56-W87 HydrophobicContact CD1-CZ3 4.29Å; F56-W87 HydrophobicContact CD2-CZ3 4.06Å; F56-W87 AromaticContact CE1-CH2 3.75Å; F56-W87 HydrophobicContact CE1-CH2 3.75Å; F56-W87 AromaticContact CE1-CZ3 3.86Å; F56-W87 HydrophobicContact CE1-CZ3 3.86Å; F56-W87 HydrophobicContact CE2-CH2 4.31Å; F56-W87 AromaticContact CE2-CZ3 3.61Å; F56-W87 HydrophobicContact CE2-CZ3 3.61Å; F56-W87 HydrophobicContact CG-CH2 4.45Å; F56-W87 HydrophobicContact CG-CZ3 4.37Å; F56-W87 AromaticContact CZ-CH2 3.89Å; F56-W87 HydrophobicContact CZ-CH2 3.89Å; F56-W87 AromaticContact CZ-CZ3 3.49Å; F56-W87 HydrophobicContact CZ-CZ3 3.49Å; F56-W87 VanDerWaalsContact CZ-CZ3 3.49Å
57I98.7Very high97.9Very high14 Ų1450.1 Ų50.17%0.07224%0.235CC..EExtended strand (participates in β ladder)trans-129126.4-168.9-57.7155.3000108.4I35 Q36 K38 R55 E61 E62I35-I57 WeakPolarHBondContact CA-O 3.43Å; Q36-I57 HydrophobicContact CB-CB 4.21Å; Q36-I57 PolarHBondContact N-O 3.45Å; Q36-I57 PolarHBondContact O-N 2.93Å; K38-I57 HydrophobicContact CD-CD1 4.02Å; K38-I57 HydrophobicContact CG-CD1 4.28Å; R55-I57 HydrophobicContact CB-CD1 4.41Å; R55-I57 HydrophobicContact CB-CG1 4.48Å; I57-E61 CarbonylContact C-O 3.55Å; I57-E61 VanDerWaalsContact CA-O 3.3Å; I57-E61 WeakPolarHBondContact CA-O 3.42Å; I57-E62 HydrophobicContact CG1-CB 3.99Å; I57-E62 HydrophobicContact CG1-CG 4.08Å
58F98.1Very high98Very high72 Ų7249.5 Ų49.532%0.31623%0.233SC..EExtended strand (participates in β ladder)trans-108.5120.2171.1-177.6-109.3000108.8F33 L60 E61 Y63 L79F33-F58 HydrophobicContact CB-CE2 4.43Å; F33-F58 AromaticContact CD1-CZ 3.83Å; F33-F58 HydrophobicContact CD1-CZ 3.83Å; F58-L60 PolarHBondContact O-N 3.1Å; F58-E61 PolarHBondContact N-O 3.34Å; F58-E61 PolarHBondContact O-N 3.41Å; F58-Y63 HydrophobicContact CB-CD1 3.99Å; F58-Y63 HydrophobicContact CB-CE1 4.19Å; F58-L79 HydrophobicContact CB-CD2 4.03Å; F58-L79 HydrophobicContact CD1-CD2 4.16Å; F58-L79 HydrophobicContact CG-CD2 4.31Å
59N96.5Very high98.1Very high57 Ų5747.4 Ų47.431%0.30523%0.226SC..THydrogen-bonded Turntrans53.2-99.5-165.6-60.6-34.1000111.4V34 Q36V34-N59 PolarHBondContact N-OD1 3.3Å; V34-N59 PolarHBondContact O-N 3.01Å; Q36-N59 PolarHBondContact NE2-O 3.46Å
60L96.8Very high98.2Very high169 Ų16945.9 Ų45.989%0.88522%0.224SC*.THydrogen-bonded Turntrans-117.6-0.3176.3-60.1177.7000112.7F58F58-L60 PolarHBondContact O-N 3.1Å
61E98.1Very high98.1Very high90 Ų9045.7 Ų45.742%0.42123%0.225SC..EExtended strand (participates in β ladder)trans-93.7110.3-178.1-173.5-178.3158.100110I57 F58 Y63 T77I57-E61 CarbonylContact C-O 3.55Å; I57-E61 VanDerWaalsContact CA-O 3.3Å; I57-E61 WeakPolarHBondContact CA-O 3.42Å; F58-E61 PolarHBondContact N-O 3.34Å; F58-E61 PolarHBondContact O-N 3.41Å; E61-Y63 PolarHBondContact O-N 3Å; E61-T77 HydrophobicContact CG-CG2 3.96Å; E61-T77 WeakPolarHBondContact OE1-CB 3.44Å; E61-T77 WeakPolarHBondContact OE1-CG2 3.42Å; E61-T77 PolarHBondContact OE1-OG1 2.83Å
62E98.3Very high98.1Very high42 Ų4244.9 Ų44.920%0.19623%0.226CC..EExtended strand (participates in β ladder)trans-73108.3166-171.1-174.1151.500108.8R55 F56 I57 H65 L76R55-E62 HydrophobicContact CB-CG 4.18Å; R55-E62 WeakPolarHBondContact CD-OE2 3.3Å; R55-E62 WeakPolarHBondContact CG-OE1 3.45Å; R55-E62 IonicContact CZ-OE1 3.31Å; R55-E62 IonicContact CZ-OE2 3.83Å; R55-E62 IonicContact NE-OE2 3.47Å; R55-E62 VanDerWaalsContact NH1-CD 3.3Å; R55-E62 IonicContact NH1-OE1 3.4Å; R55-E62 PolarHBondContact NH1-OE1 3.03Å; R55-E62 VanDerWaalsContact NH1-OE1 3.1Å; R55-E62 IonicContact NH1-OE2 3.42Å; R55-E62 PolarHBondContact NH1-OE2 3.46Å; F56-E62 WeakPolarHBondContact O-CA 3.31Å; I57-E62 HydrophobicContact CG1-CB 3.99Å; I57-E62 HydrophobicContact CG1-CG 4.08Å; E62-H65 IonicContact OE1-CG 3.96Å; E62-H65 IonicContact OE1-ND1 2.69Å; E62-H65 PolarHBondContact OE1-ND1 3.27Å; E62-L76 HydrophobicContact CB-CD1 4.19Å; E62-L76 HydrophobicContact CG-CD1 3.75Å; E62-L76 WeakPolarHBondContact O-CB 3.37Å; E62-L76 VanDerWaalsContact OE1-CD1 3.32Å; E62-L76 WeakPolarHBondContact OE1-CD1 3.45Å
63Y98.4Very high98.1Very high17 Ų1744.5 Ų44.57%0.06723%0.225CC..EExtended strand (participates in β ladder)trans-98.3-23.7-172.367.7-91.7000112.9F56 F58 E61 L76 T77 L79F56-Y63 HydrophobicContact CB-CD1 4.4Å; F56-Y63 HydrophobicContact CB-CE1 3.7Å; F56-Y63 HydrophobicContact CB-CE2 4.22Å; F56-Y63 VanDerWaalsContact O-CD1 3.31Å; F56-Y63 WeakPolarHBondContact O-CD1 3.43Å; F56-Y63 PolarHBondContact O-N 2.92Å; F58-Y63 HydrophobicContact CB-CD1 3.99Å; F58-Y63 HydrophobicContact CB-CE1 4.19Å; E61-Y63 PolarHBondContact O-N 3Å; Y63-L76 PolarHBondContact O-N 3.49Å; Y63-T77 WeakPolarHBondContact CA-OG1 3.39Å; Y63-T77 WeakPolarHBondContact CB-OG1 3.28Å; Y63-T77 PolarHBondContact O-N 3.45Å; Y63-L79 HydrophobicContact CD1-CD2 4.23Å; Y63-L79 HydrophobicContact CD2-CG 4.35Å; Y63-L79 HydrophobicContact CG-CD2 4.06Å; Y63-L79 HydrophobicContact CG-CG 4.24Å
64L98.3Very high98.1Very high0 Ų046.4 Ų46.40%024%0.236CC..EExtended strand (participates in β ladder)trans-155.3146.6-177176.8150.2000111F56 F73 V74 D83 A84 W87F56-L64 HydrophobicContact CB-CD2 4.43Å; F56-L64 HydrophobicContact CD2-CD2 3.3Å; F56-L64 HydrophobicContact CE2-CD2 3.75Å; F56-L64 HydrophobicContact CG-CD2 4.06Å; F56-L64 PolarHBondContact N-O 3.48Å; L64-F73 HydrophobicContact CD2-CB 4.45Å; L64-F73 HydrophobicContact CD2-CD1 3.72Å; L64-F73 HydrophobicContact CD2-CE1 4.5Å; L64-V74 WeakPolarHBondContact CA-O 3.33Å; L64-D83 HydrophobicContact CD1-CB 3.55Å; L64-A84 HydrophobicContact CD1-CB 3.75Å; L64-A84 VanDerWaalsContact CD1-N 3.28Å; L64-W87 HydrophobicContact CD1-CE3 4.45Å; L64-W87 HydrophobicContact CD2-CE3 3.95Å; L64-W87 HydrophobicContact CD2-CZ3 3.59Å
65H98.6Very high98.1Very high23 Ų2347 Ų4711%0.10624%0.243CC..EExtended strand (participates in β ladder)trans-140.6157.3166.863.6-115.5000113.5L53 V54 R55 E62 F73 V74L53-H65 HydrophobicContact CD1-CB 4.12Å; V54-H65 CarbonylContact O-C 3.55Å; V54-H65 WeakPolarHBondContact O-CA 3.43Å; V54-H65 WeakPolarHBondContact O-CB 3.17Å; R55-H65 HydrophobicContact CG-CB 4.39Å; E62-H65 IonicContact OE1-CG 3.96Å; E62-H65 IonicContact OE1-ND1 2.69Å; E62-H65 PolarHBondContact OE1-ND1 3.27Å; H65-F73 CarbonylContact O-C 3.49Å; H65-F73 VanDerWaalsContact O-CA 3.26Å; H65-F73 WeakPolarHBondContact O-CA 3.4Å; H65-V74 PolarHBondContact N-O 2.84Å; H65-V74 PolarHBondContact O-N 3.04Å
66F98.6Very high98.1Very high0 Ų048 Ų480%025%0.253CS..EExtended strand (participates in β ladder)trans-99.8126.1160.8176.6-92.7000109.6F52 L53 V54 F73 L94 S97 R98F52-F66 HydrophobicContact CD1-CD1 4.1Å; F52-F66 HydrophobicContact CD1-CE1 4.13Å; F52-F66 HydrophobicContact CE1-CD1 4.4Å; L53-F66 CarbonylContact C-O 3.56Å; L53-F66 VanDerWaalsContact CA-O 3.31Å; L53-F66 WeakPolarHBondContact CA-O 3.49Å; L53-F66 WeakPolarHBondContact CD1-O 3.38Å; V54-F66 HydrophobicContact CB-CB 4.3Å; V54-F66 PolarHBondContact N-O 3.28Å; V54-F66 PolarHBondContact O-N 3.43Å; F66-F73 HydrophobicContact CB-CD1 3.59Å; F66-F73 HydrophobicContact CB-CE1 3.57Å; F66-F73 HydrophobicContact CB-CG 4.28Å; F66-F73 HydrophobicContact CB-CZ 4.19Å; F66-F73 HydrophobicContact CD2-CD1 4.27Å; F66-F73 HydrophobicContact CD2-CD2 4.06Å; F66-F73 HydrophobicContact CD2-CE1 4.24Å; F66-F73 AromaticContact CD2-CE2 3.97Å; F66-F73 HydrophobicContact CD2-CE2 3.97Å; F66-F73 HydrophobicContact CD2-CG 4.22Å; F66-F73 HydrophobicContact CD2-CZ 4.09Å; F66-F73 HydrophobicContact CG-CD1 4.42Å; F66-F73 HydrophobicContact CG-CE1 4.28Å; F66-F73 HydrophobicContact CG-CZ 4.44Å; F66-L94 HydrophobicContact CE2-CD2 4.19Å; F66-S97 WeakPolarHBondContact CE1-O 2.98Å; F66-S97 VanDerWaalsContact CZ-CB 3.49Å; F66-R98 HydrophobicContact CE2-CG 4.41Å; F66-R98 HydrophobicContact CZ-CG 3.86Å
67D98.4Very high98.1Very high10 Ų1048 Ų485%0.05326%0.257CS..EExtended strand (participates in β ladder)trans-114.9122.7174.5-172.4-8.1000110.4R51 L53 D69 L70 G71 L72R51-D67 IonicContact CZ-OD1 3.97Å; R51-D67 IonicContact CZ-OD2 3.1Å; R51-D67 IonicContact NE-OD1 3.68Å; R51-D67 PolarHBondContact NE-OD1 3.5Å; R51-D67 IonicContact NE-OD2 2.71Å; R51-D67 PolarHBondContact NE-OD2 3.49Å; R51-D67 IonicContact NH2-OD1 2.7Å; R51-D67 IonicContact NH2-OD2 3.34Å; R51-D67 PolarHBondContact NH2-OD2 3.47Å; L53-D67 HydrophobicContact CD1-CB 3.97Å; D67-D69 PolarHBondContact O-N 3.29Å; D67-D69 PolarHBondContact OD1-N 3.18Å; D67-L70 HydrophobicContact CB-CB 4.33Å; D67-L70 HydrophobicContact CB-CD1 4.19Å; D67-L70 HydrophobicContact CB-CG 4.2Å; D67-L70 CarbonylContact O-C 3.48Å; D67-L70 PolarHBondContact O-N 3.01Å; D67-L70 VanDerWaalsContact O-N 3.11Å; D67-G71 PolarHBondContact O-N 2.81Å; D67-L72 PolarHBondContact N-O 2.93Å
68S98.2Very high98Very high26 Ų2655.4 Ų55.418%0.18229%0.291CS..THydrogen-bonded Turntrans-62.4-27.8178.965.50000113.6R51 F52 L70 G71R51-S68 WeakPolarHBondContact CA-OG 3.32Å; F52-S68 PolarHBondContact N-OG 3.11Å; F52-S68 WeakPolarHBondContact O-CB 3.07Å; F52-S68 PolarHBondContact O-N 3.21Å; F52-S68 PolarHBondContact O-OG 2.87Å; S68-L70 VanDerWaalsContact C-N 3.25Å; S68-L70 PolarHBondContact O-N 3.42Å; S68-G71 PolarHBondContact O-N 2.91Å
69D97.8Very high97.9Very high97 Ų9756.2 Ų56.252%0.51930%0.298SS..THydrogen-bonded Turntrans-70.1-27.4178.5-72-3000111.2R51 D67R51-D69 WeakPolarHBondContact CD-OD2 3.47Å; R51-D69 IonicContact NE-OD2 3.89Å; D67-D69 PolarHBondContact O-N 3.29Å; D67-D69 PolarHBondContact OD1-N 3.18Å
70L97.7Very high98Very high102 Ų10253.5 Ų53.553%0.53428%0.283SS..THydrogen-bonded Turntrans-93.4-27.8173.3-58.2178.9000112.2D67 S68 L72 V74D67-L70 HydrophobicContact CB-CB 4.33Å; D67-L70 HydrophobicContact CB-CD1 4.19Å; D67-L70 HydrophobicContact CB-CG 4.2Å; D67-L70 CarbonylContact O-C 3.48Å; D67-L70 PolarHBondContact O-N 3.01Å; D67-L70 VanDerWaalsContact O-N 3.11Å; S68-L70 VanDerWaalsContact C-N 3.25Å; S68-L70 PolarHBondContact O-N 3.42Å; L70-L72 VanDerWaalsContact C-N 3.31Å; L70-L72 HydrophobicContact CB-CG 4.28Å; L70-L72 PolarHBondContact O-N 2.73Å; L70-V74 HydrophobicContact CD1-CG2 3.67Å
71G97.4Very high98.1Very high10 Ų1051.3 Ų51.310%0.10327%0.269CS..THydrogen-bonded Turntrans70.521.3-178.200000114.2D67 S68 R98D67-G71 PolarHBondContact O-N 2.81Å; S68-G71 PolarHBondContact O-N 2.91Å; G71-R98 VanDerWaalsContact O-CZ 3.26Å; G71-R98 PolarHBondContact O-NE 2.83Å; G71-R98 PolarHBondContact O-NH2 2.83Å
72L98.1Very high98Very high70 Ų7052 Ų5237%0.36628%0.279SS..EExtended strand (participates in β ladder)trans-151.3166.1-177.760.483.9000112.2D67 L70 V74 N88 L94D67-L72 PolarHBondContact N-O 2.93Å; L70-L72 VanDerWaalsContact C-N 3.31Å; L70-L72 HydrophobicContact CB-CG 4.28Å; L70-L72 PolarHBondContact O-N 2.73Å; L72-V74 HydrophobicContact CD1-CG2 3.56Å; L72-N88 WeakPolarHBondContact CB-OD1 3.42Å; L72-L94 HydrophobicContact CB-CD2 4.31Å
73F98.4Very high98Very high7 Ų752.1 Ų52.13%0.03128%0.281CS..EExtended strand (participates in β ladder)trans-82.4132.7174.3-63.7-89.5000110.6F56 L64 H65 F66 W87 N88 L93 L94F56-F73 HydrophobicContact CE2-CE1 4.15Å; L64-F73 HydrophobicContact CD2-CB 4.45Å; L64-F73 HydrophobicContact CD2-CD1 3.72Å; L64-F73 HydrophobicContact CD2-CE1 4.5Å; H65-F73 CarbonylContact O-C 3.49Å; H65-F73 VanDerWaalsContact O-CA 3.26Å; H65-F73 WeakPolarHBondContact O-CA 3.4Å; F66-F73 HydrophobicContact CB-CD1 3.59Å; F66-F73 HydrophobicContact CB-CE1 3.57Å; F66-F73 HydrophobicContact CB-CG 4.28Å; F66-F73 HydrophobicContact CB-CZ 4.19Å; F66-F73 HydrophobicContact CD2-CD1 4.27Å; F66-F73 HydrophobicContact CD2-CD2 4.06Å; F66-F73 HydrophobicContact CD2-CE1 4.24Å; F66-F73 AromaticContact CD2-CE2 3.97Å; F66-F73 HydrophobicContact CD2-CE2 3.97Å; F66-F73 HydrophobicContact CD2-CG 4.22Å; F66-F73 HydrophobicContact CD2-CZ 4.09Å; F66-F73 HydrophobicContact CG-CD1 4.42Å; F66-F73 HydrophobicContact CG-CE1 4.28Å; F66-F73 HydrophobicContact CG-CZ 4.44Å; F73-W87 AromaticContact CD1-CE3 3.57Å; F73-W87 HydrophobicContact CD1-CE3 3.57Å; F73-W87 HydrophobicContact CD1-CZ3 4.13Å; F73-W87 HydrophobicContact CD2-CB 3.8Å; F73-W87 AromaticContact CE1-CE3 3.44Å; F73-W87 HydrophobicContact CE1-CE3 3.44Å; F73-W87 VanDerWaalsContact CE1-CE3 3.44Å; F73-W87 AromaticContact CE1-CZ3 3.88Å; F73-W87 HydrophobicContact CE1-CZ3 3.88Å; F73-W87 HydrophobicContact CE2-CB 4.03Å; F73-W87 HydrophobicContact CE2-CE3 4.46Å; F73-W87 HydrophobicContact CG-CB 4.17Å; F73-W87 HydrophobicContact CG-CE3 4.11Å; F73-W87 AromaticContact CZ-CE3 3.93Å; F73-W87 HydrophobicContact CZ-CE3 3.93Å; F73-N88 PolarHBondContact N-OD1 3.5Å; F73-N88 PolarHBondContact O-ND2 2.69Å; F73-L93 HydrophobicContact CE2-CD2 3.88Å; F73-L93 HydrophobicContact CE2-CG 3.86Å; F73-L93 HydrophobicContact CZ-CD1 4.36Å; F73-L93 HydrophobicContact CZ-CD2 3.88Å; F73-L93 HydrophobicContact CZ-CG 3.86Å; F73-L94 HydrophobicContact CD2-CD2 3.82Å; F73-L94 HydrophobicContact CE2-CD2 3.96Å
74V98.4Very high98Very high42 Ų4251.6 Ų51.626%0.25528%0.28SS..EExtended strand (participates in β ladder)trans-120.3124.4-179.5-175.70000108.3L64 H65 L70 L72L64-V74 WeakPolarHBondContact CA-O 3.33Å; H65-V74 PolarHBondContact N-O 2.84Å; H65-V74 PolarHBondContact O-N 3.04Å; L70-V74 HydrophobicContact CD1-CG2 3.67Å; L72-V74 HydrophobicContact CD1-CG2 3.56Å
75A98.3Very high97.9Very high33 Ų3355.8 Ų55.827%0.27330%0.303SS..EExtended strand (participates in β ladder)trans-73.5132.9168.900000109.6G80 E81 A84A75-G80 VanDerWaalsContact CB-C 3.48Å; A75-E81 HydrophobicContact CB-CG 4.18Å; A75-A84 HydrophobicContact CB-CB 3.9Å
76L98Very high97.9Very high88 Ų8859.9 Ų59.946%0.46132%0.322SS..SBendtrans-98.3-26.3173.7-69.3-174.7000112.2E62 Y63E62-L76 HydrophobicContact CB-CD1 4.19Å; E62-L76 HydrophobicContact CG-CD1 3.75Å; E62-L76 WeakPolarHBondContact O-CB 3.37Å; E62-L76 VanDerWaalsContact OE1-CD1 3.32Å; E62-L76 WeakPolarHBondContact OE1-CD1 3.45Å; Y63-L76 PolarHBondContact O-N 3.49Å
77T98Very high97.9Very high40 Ų4062.2 Ų62.225%0.24533%0.33CS..SBendtrans-137.5166.9179.674.20000110.4E61 Y63 L79 G80E61-T77 HydrophobicContact CG-CG2 3.96Å; E61-T77 WeakPolarHBondContact OE1-CB 3.44Å; E61-T77 WeakPolarHBondContact OE1-CG2 3.42Å; E61-T77 PolarHBondContact OE1-OG1 2.83Å; Y63-T77 WeakPolarHBondContact CA-OG1 3.39Å; Y63-T77 WeakPolarHBondContact CB-OG1 3.28Å; Y63-T77 PolarHBondContact O-N 3.45Å; T77-L79 PolarHBondContact O-N 2.82Å; T77-L79 VanDerWaalsContact O-N 3.15Å; T77-G80 PolarHBondContact O-N 2.88Å
78E97.4Very high97.9Very high168 Ų16864 Ų6479%0.78534%0.34SS*.Hα-helixtrans-55.4-33-179.2-65.1-177.417800112.2G80 E81E78-G80 PolarHBondContact O-N 2.71Å; E78-E81 PolarHBondContact O-N 2.84Å
79L97.2Very high97.9Very high90 Ų9069.4 Ų69.447%0.47136%0.36SS..Hα-helixtrans-59-32.8177.4-177.563.6000112.3F58 Y63 T77F58-L79 HydrophobicContact CB-CD2 4.03Å; F58-L79 HydrophobicContact CD1-CD2 4.16Å; F58-L79 HydrophobicContact CG-CD2 4.31Å; Y63-L79 HydrophobicContact CD1-CD2 4.23Å; Y63-L79 HydrophobicContact CD2-CG 4.35Å; Y63-L79 HydrophobicContact CG-CD2 4.06Å; Y63-L79 HydrophobicContact CG-CG 4.24Å; T77-L79 PolarHBondContact O-N 2.82Å; T77-L79 VanDerWaalsContact O-N 3.15Å
80G98Very high97.9Very high0 Ų070 Ų700%036%0.355CS..Hα-helixtrans-89.6-8.9-177.900000116A75 T77 E78 V82 D83 A84A75-G80 VanDerWaalsContact CB-C 3.48Å; T77-G80 PolarHBondContact O-N 2.88Å; E78-G80 PolarHBondContact O-N 2.71Å; G80-V82 VanDerWaalsContact C-N 3.34Å; G80-V82 PolarHBondContact O-N 2.81Å; G80-D83 PolarHBondContact O-N 3.37Å; G80-A84 WeakPolarHBondContact O-CB 3.41Å; G80-A84 PolarHBondContact O-N 3.47Å
81E98.1Very high97.8Very high123 Ų12370.7 Ų70.758%0.57536%0.359SS*.Hα-helixtrans-60.8-43.9-174.3-70.5-173.1173.400112.4A75 E78 A84 D85A75-E81 HydrophobicContact CB-CG 4.18Å; E78-E81 PolarHBondContact O-N 2.84Å; E81-A84 PolarHBondContact O-N 3.31Å; E81-D85 WeakPolarHBondContact O-CB 3.42Å; E81-D85 PolarHBondContact O-N 3.02Å
82V97.4Very high97.7Very high105 Ų10574.3 Ų74.364%0.63638%0.376SS*.Hα-helixtrans-64-46.8-179.7-179.90000110.7G80 Q86G80-V82 VanDerWaalsContact C-N 3.34Å; G80-V82 PolarHBondContact O-N 2.81Å; V82-Q86 VanDerWaalsContact O-CB 3.31Å; V82-Q86 WeakPolarHBondContact O-CB 3.33Å; V82-Q86 PolarHBondContact O-N 3.15Å
83D97.6Very high97.7Very high43 Ų4372.9 Ų72.923%0.2337%0.369CS..Hα-helixtrans-66-43.4179.5-77.3-22.6000111.3L64 G80 D85 Q86 W87L64-D83 HydrophobicContact CD1-CB 3.55Å; G80-D83 PolarHBondContact O-N 3.37Å; D83-D85 PolarHBondContact O-N 2.84Å; D83-Q86 PolarHBondContact O-N 2.83Å; D83-W87 HydrophobicContact CB-CD2 4.48Å; D83-W87 HydrophobicContact CB-CZ2 4.37Å; D83-W87 WeakPolarHBondContact O-CB 3.26Å; D83-W87 VanDerWaalsContact O-CD1 3.3Å; D83-W87 PolarHBondContact O-N 3.47Å
84A97.9Very high97.6Very high7 Ų773 Ų736%0.05837%0.369CS..Hα-helixtrans-62.3-46.4179.400000111.5L64 A75 G80 E81 N88L64-A84 HydrophobicContact CD1-CB 3.75Å; L64-A84 VanDerWaalsContact CD1-N 3.28Å; A75-A84 HydrophobicContact CB-CB 3.9Å; G80-A84 WeakPolarHBondContact O-CB 3.41Å; G80-A84 PolarHBondContact O-N 3.47Å; E81-A84 PolarHBondContact O-N 3.31Å; A84-N88 WeakPolarHBondContact O-CB 3.35Å; A84-N88 PolarHBondContact O-N 2.94Å; A84-N88 PolarHBondContact O-ND2 3.04Å
85D97.4Very high97.5Very high88 Ų8876.9 Ų76.947%0.47139%0.385SS..Hα-helixtrans-61.8-45.9176.4177.565.6000111.5E81 D83 K89E81-D85 WeakPolarHBondContact O-CB 3.42Å; E81-D85 PolarHBondContact O-N 3.02Å; D83-D85 PolarHBondContact O-N 2.84Å; D85-K89 WeakPolarHBondContact O-CD 3.31Å; D85-K89 WeakPolarHBondContact O-CG 3Å; D85-K89 PolarHBondContact O-N 3.44Å; D85-K89 WeakPolarHBondContact OD1-CE 3.37Å; D85-K89 IonicContact OD1-NZ 2.62Å; D85-K89 PolarHBondContact OD1-NZ 3.17Å; D85-K89 IonicContact OD2-NZ 3.73Å; D85-K89 PolarHBondContact OD2-NZ 2.95Å
86Q97.7Very high97.5Very high109 Ų10979.4 Ų79.451%0.50940%0.397SS..Hα-helixtrans-66.2-45.4-179.7-174178.13.500112.2V82 D83 K89 R90V82-Q86 VanDerWaalsContact O-CB 3.31Å; V82-Q86 WeakPolarHBondContact O-CB 3.33Å; V82-Q86 PolarHBondContact O-N 3.15Å; D83-Q86 PolarHBondContact O-N 2.83Å; Q86-K89 PolarHBondContact O-N 3.32Å; Q86-R90 PolarHBondContact O-N 3.37Å
87W98.1Very high97.4Very high48 Ų4876 Ų7618%0.18238%0.38CS..Hα-helixtrans-74.7-31.9-174.4-67.210.8000111.8F56 L64 F73 D83 K89 R90 L93F56-W87 HydrophobicContact CD1-CH2 4.05Å; F56-W87 HydrophobicContact CD1-CZ3 4.29Å; F56-W87 HydrophobicContact CD2-CZ3 4.06Å; F56-W87 AromaticContact CE1-CH2 3.75Å; F56-W87 HydrophobicContact CE1-CH2 3.75Å; F56-W87 AromaticContact CE1-CZ3 3.86Å; F56-W87 HydrophobicContact CE1-CZ3 3.86Å; F56-W87 HydrophobicContact CE2-CH2 4.31Å; F56-W87 AromaticContact CE2-CZ3 3.61Å; F56-W87 HydrophobicContact CE2-CZ3 3.61Å; F56-W87 HydrophobicContact CG-CH2 4.45Å; F56-W87 HydrophobicContact CG-CZ3 4.37Å; F56-W87 AromaticContact CZ-CH2 3.89Å; F56-W87 HydrophobicContact CZ-CH2 3.89Å; F56-W87 AromaticContact CZ-CZ3 3.49Å; F56-W87 HydrophobicContact CZ-CZ3 3.49Å; F56-W87 VanDerWaalsContact CZ-CZ3 3.49Å; L64-W87 HydrophobicContact CD1-CE3 4.45Å; L64-W87 HydrophobicContact CD2-CE3 3.95Å; L64-W87 HydrophobicContact CD2-CZ3 3.59Å; F73-W87 AromaticContact CD1-CE3 3.57Å; F73-W87 HydrophobicContact CD1-CE3 3.57Å; F73-W87 HydrophobicContact CD1-CZ3 4.13Å; F73-W87 HydrophobicContact CD2-CB 3.8Å; F73-W87 AromaticContact CE1-CE3 3.44Å; F73-W87 HydrophobicContact CE1-CE3 3.44Å; F73-W87 VanDerWaalsContact CE1-CE3 3.44Å; F73-W87 AromaticContact CE1-CZ3 3.88Å; F73-W87 HydrophobicContact CE1-CZ3 3.88Å; F73-W87 HydrophobicContact CE2-CB 4.03Å; F73-W87 HydrophobicContact CE2-CE3 4.46Å; F73-W87 HydrophobicContact CG-CB 4.17Å; F73-W87 HydrophobicContact CG-CE3 4.11Å; F73-W87 AromaticContact CZ-CE3 3.93Å; F73-W87 HydrophobicContact CZ-CE3 3.93Å; D83-W87 HydrophobicContact CB-CD2 4.48Å; D83-W87 HydrophobicContact CB-CZ2 4.37Å; D83-W87 WeakPolarHBondContact O-CB 3.26Å; D83-W87 VanDerWaalsContact O-CD1 3.3Å; D83-W87 PolarHBondContact O-N 3.47Å; W87-K89 PolarHBondContact O-N 3.4Å; W87-R90 WeakPolarHBondContact O-CB 3.21Å; W87-R90 PolarHBondContact O-N 2.91Å; W87-R90 VanDerWaalsContact O-N 3.13Å; W87-L93 HydrophobicContact CB-CD2 3.75Å; W87-L93 HydrophobicContact CD2-CD2 4.1Å; W87-L93 HydrophobicContact CE3-CD2 4.45Å; W87-L93 HydrophobicContact CG-CD2 3.79Å
88N98.3Very high97.4Very high47 Ų4779.6 Ų79.625%0.25139%0.389SS..Hα-helixtrans-69.5-20.8172.7-74-33.1000113.6L72 F73 A84 R90 L94L72-N88 WeakPolarHBondContact CB-OD1 3.42Å; F73-N88 PolarHBondContact N-OD1 3.5Å; F73-N88 PolarHBondContact O-ND2 2.69Å; A84-N88 WeakPolarHBondContact O-CB 3.35Å; A84-N88 PolarHBondContact O-N 2.94Å; A84-N88 PolarHBondContact O-ND2 3.04Å; N88-R90 VanDerWaalsContact C-N 3.32Å; N88-L94 WeakPolarHBondContact O-CD1 3.44Å
89K97.9Very high97.4Very high141 Ų14173.2 Ų73.261%0.61337%0.365SS*.THydrogen-bonded Turntrans-80.8-14.7172.2-70.6167.3-174.5166.30112.8D85 Q86 W87 L91D85-K89 WeakPolarHBondContact O-CD 3.31Å; D85-K89 WeakPolarHBondContact O-CG 3Å; D85-K89 PolarHBondContact O-N 3.44Å; D85-K89 WeakPolarHBondContact OD1-CE 3.37Å; D85-K89 IonicContact OD1-NZ 2.62Å; D85-K89 PolarHBondContact OD1-NZ 3.17Å; D85-K89 IonicContact OD2-NZ 3.73Å; D85-K89 PolarHBondContact OD2-NZ 2.95Å; Q86-K89 PolarHBondContact O-N 3.32Å; W87-K89 PolarHBondContact O-N 3.4Å; K89-L91 PolarHBondContact O-N 2.86Å
90R97.8Very high97.5Very high109 Ų10969.3 Ų69.341%0.41135%0.346SS..  trans-88.895.3176.8-77.5-168.257.6-160.6-5.2111.2Q86 W87 N88 D92 L93 L94Q86-R90 PolarHBondContact O-N 3.37Å; W87-R90 WeakPolarHBondContact O-CB 3.21Å; W87-R90 PolarHBondContact O-N 2.91Å; W87-R90 VanDerWaalsContact O-N 3.13Å; N88-R90 VanDerWaalsContact C-N 3.32Å; R90-D92 VanDerWaalsContact C-N 3.31Å; R90-D92 WeakPolarHBondContact CB-OD1 3.37Å; R90-D92 IonicContact CZ-OD1 3.67Å; R90-D92 IonicContact CZ-OD2 2.72Å; R90-D92 IonicContact NE-OD1 2.82Å; R90-D92 PolarHBondContact NE-OD1 2.84Å; R90-D92 IonicContact NE-OD2 3.93Å; R90-D92 IonicContact NH2-OD1 3.32Å; R90-D92 IonicContact NH2-OD2 3.72Å; R90-D92 PolarHBondContact NH2-OD2 3.36Å; R90-D92 PolarHBondContact O-N 3.15Å; R90-L93 HydrophobicContact CB-CB 3.92Å; R90-L93 PolarHBondContact O-N 3.38Å; R90-L94 PolarHBondContact O-N 2.93Å
91L96Very high97.5Very high117 Ų11770.2 Ų70.261%0.61335%0.352SS*.Hα-helixtrans-60-39.5-178.9-65.6177.1000112.8K89 L93 L94 E95K89-L91 PolarHBondContact O-N 2.86Å; L91-L93 VanDerWaalsContact C-N 3.31Å; L91-L93 PolarHBondContact O-N 3.21Å; L91-L94 PolarHBondContact O-N 3.02Å; L91-E95 WeakPolarHBondContact O-CB 3.38Å; L91-E95 WeakPolarHBondContact O-CG 3.39Å; L91-E95 PolarHBondContact O-N 3.02Å
92D96.8Very high97.4Very high86 Ų8669.1 Ų69.146%0.4635%0.35SS..Hα-helixtrans-58.5-42.7177.563.8-44.8000112.2R90 T96R90-D92 VanDerWaalsContact C-N 3.31Å; R90-D92 WeakPolarHBondContact CB-OD1 3.37Å; R90-D92 IonicContact CZ-OD1 3.67Å; R90-D92 IonicContact CZ-OD2 2.72Å; R90-D92 IonicContact NE-OD1 2.82Å; R90-D92 PolarHBondContact NE-OD1 2.84Å; R90-D92 IonicContact NE-OD2 3.93Å; R90-D92 IonicContact NH2-OD1 3.32Å; R90-D92 IonicContact NH2-OD2 3.72Å; R90-D92 PolarHBondContact NH2-OD2 3.36Å; R90-D92 PolarHBondContact O-N 3.15Å; D92-T96 WeakPolarHBondContact O-CB 3.5Å; D92-T96 PolarHBondContact O-N 2.95Å; D92-T96 VanDerWaalsContact O-N 3.13Å; D92-T96 PolarHBondContact O-OG1 2.8Å
93L96.4Very high97.3Very high40 Ų4069 Ų6921%0.20934%0.344CS..Hα-helixtrans-70.4-45.8178.3-178.661.8000111.3F73 W87 R90 L91 T96 S97F73-L93 HydrophobicContact CE2-CD2 3.88Å; F73-L93 HydrophobicContact CE2-CG 3.86Å; F73-L93 HydrophobicContact CZ-CD1 4.36Å; F73-L93 HydrophobicContact CZ-CD2 3.88Å; F73-L93 HydrophobicContact CZ-CG 3.86Å; W87-L93 HydrophobicContact CB-CD2 3.75Å; W87-L93 HydrophobicContact CD2-CD2 4.1Å; W87-L93 HydrophobicContact CE3-CD2 4.45Å; W87-L93 HydrophobicContact CG-CD2 3.79Å; R90-L93 HydrophobicContact CB-CB 3.92Å; R90-L93 PolarHBondContact O-N 3.38Å; L91-L93 VanDerWaalsContact C-N 3.31Å; L91-L93 PolarHBondContact O-N 3.21Å; L93-T96 PolarHBondContact O-N 3.32Å; L93-S97 WeakPolarHBondContact O-CB 3.49Å; L93-S97 PolarHBondContact O-N 2.98Å; L93-S97 PolarHBondContact O-OG 3.46Å; L93-S97 VanDerWaalsContact O-OG 3.13Å
94L96.6Very high97.3Very high8 Ų870.1 Ų70.14%0.04235%0.352CS..Hα-helixtrans-61-45.7177.9-80.5178.9000112.5F66 L72 F73 N88 R90 L91 T96 S97 R98F66-L94 HydrophobicContact CE2-CD2 4.19Å; L72-L94 HydrophobicContact CB-CD2 4.31Å; F73-L94 HydrophobicContact CD2-CD2 3.82Å; F73-L94 HydrophobicContact CE2-CD2 3.96Å; N88-L94 WeakPolarHBondContact O-CD1 3.44Å; R90-L94 PolarHBondContact O-N 2.93Å; L91-L94 PolarHBondContact O-N 3.02Å; L94-T96 VanDerWaalsContact C-N 3.35Å; L94-S97 PolarHBondContact O-N 2.92Å; L94-R98 WeakPolarHBondContact O-CB 3.27Å; L94-R98 WeakPolarHBondContact O-CD 3.29Å; L94-R98 WeakPolarHBondContact O-CG 3.3Å; L94-R98 PolarHBondContact O-N 2.87Å
95E97.1Very high97.3Very high124 Ų12469.8 Ų69.858%0.57935%0.349SS*.Hα-helixtrans-62.3-44.2178.1-74.2179.4179.800111.2L91 R98 A99L91-E95 WeakPolarHBondContact O-CB 3.38Å; L91-E95 WeakPolarHBondContact O-CG 3.39Å; L91-E95 PolarHBondContact O-N 3.02Å; E95-R98 PolarHBondContact O-N 3.23Å; E95-A99 VanDerWaalsContact O-CB 3.27Å; E95-A99 WeakPolarHBondContact O-CB 3.44Å; E95-A99 PolarHBondContact O-N 2.95Å
96T96.9Very high97.3Very high87 Ų8768.5 Ų68.553%0.53434%0.338SS..Hα-helixtrans-61.9-46.5176.6-570000111.6D92 L93 L94 R98 A99 A100D92-T96 WeakPolarHBondContact O-CB 3.5Å; D92-T96 PolarHBondContact O-N 2.95Å; D92-T96 VanDerWaalsContact O-N 3.13Å; D92-T96 PolarHBondContact O-OG1 2.8Å; L93-T96 PolarHBondContact O-N 3.32Å; L94-T96 VanDerWaalsContact C-N 3.35Å; T96-R98 PolarHBondContact O-N 2.85Å; T96-A99 PolarHBondContact O-N 2.8Å; T96-A100 PolarHBondContact O-N 3.05Å
97S97.1Very high97.3Very high16 Ų1668.2 Ų68.211%0.11234%0.336CS..Hα-helixtrans-64.1-39.4178.2-66.10000112.7F66 L93 L94 A100F66-S97 WeakPolarHBondContact CE1-O 2.98Å; F66-S97 VanDerWaalsContact CZ-CB 3.49Å; L93-S97 WeakPolarHBondContact O-CB 3.49Å; L93-S97 PolarHBondContact O-N 2.98Å; L93-S97 PolarHBondContact O-OG 3.46Å; L93-S97 VanDerWaalsContact O-OG 3.13Å; L94-S97 PolarHBondContact O-N 2.92Å; S97-A100 VanDerWaalsContact O-CB 3.31Å; S97-A100 WeakPolarHBondContact O-CB 3.38Å; S97-A100 PolarHBondContact O-N 2.95Å
98R97.8Very high97.2Very high116 Ų11671.1 Ų71.144%0.43835%0.352SS..Hα-helixtrans-64.5-41.7174.1-71.3166.9-173.4162.72.1111.5F66 G71 L94 E95 T96 A100F66-R98 HydrophobicContact CE2-CG 4.41Å; F66-R98 HydrophobicContact CZ-CG 3.86Å; G71-R98 VanDerWaalsContact O-CZ 3.26Å; G71-R98 PolarHBondContact O-NE 2.83Å; G71-R98 PolarHBondContact O-NH2 2.83Å; L94-R98 WeakPolarHBondContact O-CB 3.27Å; L94-R98 WeakPolarHBondContact O-CD 3.29Å; L94-R98 WeakPolarHBondContact O-CG 3.3Å; L94-R98 PolarHBondContact O-N 2.87Å; E95-R98 PolarHBondContact O-N 3.23Å; T96-R98 PolarHBondContact O-N 2.85Å; R98-A100 PolarHBondContact O-N 2.9Å
99A97.8Very high97.2Very high33 Ų3371.5 Ų71.527%0.27335%0.35SS..Hα-helixtrans-71.1-18.5-179.600000113.2E95 T96 V101 N102 M103E95-A99 VanDerWaalsContact O-CB 3.27Å; E95-A99 WeakPolarHBondContact O-CB 3.44Å; E95-A99 PolarHBondContact O-N 2.95Å; T96-A99 PolarHBondContact O-N 2.8Å; A99-V101 PolarHBondContact O-N 3.27Å; A99-N102 PolarHBondContact O-N 3.06Å; A99-M103 HydrophobicContact CB-CE 3.31Å; A99-M103 HydrophobicContact CB-SD 4.27Å; A99-M103 PolarHBondContact O-N 3.09Å
100A97.9Very high97.1Very high9 Ų971.8 Ų71.87%0.07435%0.351CS..Hα-helixtrans-59.6-25.817800000113.8F52 T96 S97 R98 N102 V104 C105F52-A100 HydrophobicContact CD1-CB 3.64Å; F52-A100 HydrophobicContact CE1-CB 3.35Å; F52-A100 HydrophobicContact CE2-CB 4.39Å; F52-A100 HydrophobicContact CG-CB 4.26Å; F52-A100 HydrophobicContact CZ-CB 3.76Å; T96-A100 PolarHBondContact O-N 3.05Å; S97-A100 VanDerWaalsContact O-CB 3.31Å; S97-A100 WeakPolarHBondContact O-CB 3.38Å; S97-A100 PolarHBondContact O-N 2.95Å; R98-A100 PolarHBondContact O-N 2.9Å; A100-N102 PolarHBondContact O-N 3.24Å; A100-V104 HydrophobicContact CB-CB 4.5Å; A100-V104 HydrophobicContact CB-CG2 4.16Å; A100-V104 WeakPolarHBondContact O-CA 3.48Å; A100-V104 VanDerWaalsContact O-CB 3.31Å; A100-V104 WeakPolarHBondContact O-CB 3.47Å; A100-V104 PolarHBondContact O-N 3.46Å; A100-C105 PolarHBondContact O-N 2.92Å
101V98.2Very high97.1Very high19 Ų1971.5 Ų71.512%0.11536%0.357CS..Iπ-helixtrans-53.3-42.71711760000111V50 F52 A99 C105 R106V50-V101 HydrophobicContact CB-CG1 3.97Å; V50-V101 HydrophobicContact CG1-CG1 3.97Å; F52-V101 HydrophobicContact CB-CG2 3.69Å; A99-V101 PolarHBondContact O-N 3.27Å; V101-C105 WeakPolarHBondContact O-CB 3.15Å; V101-R106 WeakPolarHBondContact O-CG 3.48Å; V101-R106 PolarHBondContact O-N 3.44Å; V101-R106 VanDerWaalsContact O-N 3.1Å
102N97.6Very high97.1Very high99 Ų9966.3 Ų66.353%0.52933%0.332SS..Iπ-helixtrans-91-47.5-178.2-66.4-34.5000112.1A99 A100 R106 Q107A99-N102 PolarHBondContact O-N 3.06Å; A100-N102 PolarHBondContact O-N 3.24Å; N102-R106 WeakPolarHBondContact OD1-CD 3.37Å; N102-R106 PolarHBondContact OD1-NE 3.17Å; N102-Q107 PolarHBondContact O-N 3.27Å
103M95.5Very high97.1Very high104 Ų10462.8 Ų62.851%0.51232%0.315SS..Iπ-helixtrans-74.7-27.3-172.6-62.5-170.5-59.200113.1A99 Q107A99-M103 HydrophobicContact CB-CE 3.31Å; A99-M103 HydrophobicContact CB-SD 4.27Å; A99-M103 PolarHBondContact O-N 3.09Å; M103-Q107 WeakPolarHBondContact O-CB 3.3Å; M103-Q107 PolarHBondContact O-OE1 2.87Å; M103-Q107 VanDerWaalsContact O-OE1 3.13Å
104V96.3Very high97.1Very high66 Ų6664.7 Ų64.740%0.433%0.33SS..Iπ-helixtrans-108.5-70.5178.2-175.90000109A100 R106 Q107 E108A100-V104 HydrophobicContact CB-CB 4.5Å; A100-V104 HydrophobicContact CB-CG2 4.16Å; A100-V104 WeakPolarHBondContact O-CA 3.48Å; A100-V104 VanDerWaalsContact O-CB 3.31Å; A100-V104 WeakPolarHBondContact O-CB 3.47Å; A100-V104 PolarHBondContact O-N 3.46Å; V104-R106 PolarHBondContact O-N 2.93Å; V104-Q107 PolarHBondContact O-N 2.9Å; V104-E108 HydrophobicContact CG1-CG 4.31Å; V104-E108 WeakPolarHBondContact O-CB 3.34Å; V104-E108 VanDerWaalsContact O-CG 3.31Å; V104-E108 WeakPolarHBondContact O-CG 3.48Å; V104-E108 PolarHBondContact O-N 2.02Å
105C98.1Very high97.1Very high0 Ų070.8 Ų70.80%036%0.356CS..Iπ-helixtrans-59.1-54.2-167.5-59.90000113.4C41 F43 V50 F52 A100 V101 Q107 Y109C41-C105 HydrophobicContact CB-CB 3.57Å; C41-C105 WeakPolarHBondContact CB-SG 3.47Å; C41-C105 WeakPolarHBondContact SG-CA 3.33Å; C41-C105 WeakPolarHBondContact SG-CB 3.29Å; C41-C105 CovalentContact SG-SG 2.03Å; C41-C105 PolarHBondContact SG-SG 3.13Å; F43-C105 HydrophobicContact CE1-CB 4.01Å; F43-C105 WeakPolarHBondContact CE1-O 3.46Å; F43-C105 HydrophobicContact CZ-CB 3.92Å; F43-C105 VanDerWaalsContact CZ-O 3.29Å; F43-C105 WeakPolarHBondContact CZ-O 3.49Å; V50-C105 HydrophobicContact CG1-CB 3.57Å; F52-C105 WeakPolarHBondContact CD2-SG 3.4Å; A100-C105 PolarHBondContact O-N 2.92Å; V101-C105 WeakPolarHBondContact O-CB 3.15Å; C105-Q107 VanDerWaalsContact C-N 3.34Å; C105-Q107 PolarHBondContact O-N 2.92Å; C105-Y109 VanDerWaalsContact O-CB 3.3Å; C105-Y109 WeakPolarHBondContact O-CB 3.38Å; C105-Y109 PolarHBondContact O-N 2.88Å
106R98.2Very high97.1Very high61 Ų6166.5 Ų66.523%0.2334%0.339CS..Iπ-helixtrans-67.5-35.4-179.1-69.4175.7-172.6-88.2-12.9112.7T47 E48 V50 V101 N102 V104 K110T47-R106 PolarHBondContact O-NH1 2.87Å; T47-R106 PolarHBondContact O-NH2 2.88Å; T47-R106 VanDerWaalsContact O-NH2 3.11Å; E48-R106 PolarHBondContact O-NH2 2.71Å; V50-R106 HydrophobicContact CG2-CG 4.06Å; V101-R106 WeakPolarHBondContact O-CG 3.48Å; V101-R106 PolarHBondContact O-N 3.44Å; V101-R106 VanDerWaalsContact O-N 3.1Å; N102-R106 WeakPolarHBondContact OD1-CD 3.37Å; N102-R106 PolarHBondContact OD1-NE 3.17Å; V104-R106 PolarHBondContact O-N 2.93Å; R106-K110 VanDerWaalsContact O-CG 3.28Å; R106-K110 WeakPolarHBondContact O-CG 3.33Å; R106-K110 PolarHBondContact O-N 2.85Å
107Q96.6Very high97Very high102 Ų10266 Ų6648%0.47734%0.335SS..Hα-helixtrans-67.3-50.8179.1-178.2169.3-26.100110.7N102 M103 V104 C105 Y109 K110 L111N102-Q107 PolarHBondContact O-N 3.27Å; M103-Q107 WeakPolarHBondContact O-CB 3.3Å; M103-Q107 PolarHBondContact O-OE1 2.87Å; M103-Q107 VanDerWaalsContact O-OE1 3.13Å; V104-Q107 PolarHBondContact O-N 2.9Å; C105-Q107 VanDerWaalsContact C-N 3.34Å; C105-Q107 PolarHBondContact O-N 2.92Å; Q107-Y109 PolarHBondContact O-N 3.02Å; Q107-K110 PolarHBondContact O-N 2.86Å; Q107-L111 HydrophobicContact CG-CD1 4.2Å; Q107-L111 WeakPolarHBondContact O-CG 3.47Å; Q107-L111 PolarHBondContact O-N 2.9Å
108E96.4Very high96.9Very high109 Ų10971.3 Ų71.351%0.50936%0.358SS..Hα-helixtrans-63.8-39.1178.2-67.4-54.1138.200112V104 K110 L111 G112V104-E108 HydrophobicContact CG1-CG 4.31Å; V104-E108 WeakPolarHBondContact O-CB 3.34Å; V104-E108 VanDerWaalsContact O-CG 3.31Å; V104-E108 WeakPolarHBondContact O-CG 3.48Å; V104-E108 PolarHBondContact O-N 2.02Å; E108-K110 VanDerWaalsContact C-N 3.32Å; E108-K110 PolarHBondContact O-N 3.17Å; E108-L111 PolarHBondContact O-N 2.83Å; E108-G112 WeakPolarHBondContact O-CA 3.3Å; E108-G112 PolarHBondContact O-N 2.9Å
109Y97.7Very high96.9Very high55 Ų5569.9 Ų69.922%0.21635%0.353CS..Hα-helixtrans-56.9-46.7173.4-175.5-81.1000111.5F43 G46 T47 C105 Q107 G112 A113 V117F43-Y109 HydrophobicContact CB-CD2 4.38Å; F43-Y109 HydrophobicContact CB-CE2 4.28Å; F43-Y109 AromaticContact CD1-CD2 3.58Å; F43-Y109 HydrophobicContact CD1-CD2 3.58Å; F43-Y109 HydrophobicContact CD1-CE2 4.23Å; F43-Y109 HydrophobicContact CD1-CG 4.15Å; F43-Y109 AromaticContact CD2-CD2 3.97Å; F43-Y109 HydrophobicContact CD2-CD2 3.97Å; F43-Y109 AromaticContact CE1-CD2 3.74Å; F43-Y109 HydrophobicContact CE1-CD2 3.74Å; F43-Y109 AromaticContact CE1-CG 4Å; F43-Y109 HydrophobicContact CE1-CG 4Å; F43-Y109 HydrophobicContact CE2-CD2 4.1Å; F43-Y109 AromaticContact CG-CD2 3.7Å; F43-Y109 HydrophobicContact CG-CD2 3.7Å; F43-Y109 HydrophobicContact CG-CE2 4.09Å; F43-Y109 AromaticContact CZ-CD2 3.99Å; F43-Y109 HydrophobicContact CZ-CD2 3.99Å; F43-Y109 HydrophobicContact CZ-CG 4.38Å; G46-Y109 WeakPolarHBondContact CA-OH 3.49Å; T47-Y109 HydrophobicContact CG2-CD1 3.35Å; T47-Y109 HydrophobicContact CG2-CD2 4.45Å; T47-Y109 HydrophobicContact CG2-CE1 3.86Å; T47-Y109 HydrophobicContact CG2-CG 3.7Å; C105-Y109 VanDerWaalsContact O-CB 3.3Å; C105-Y109 WeakPolarHBondContact O-CB 3.38Å; C105-Y109 PolarHBondContact O-N 2.88Å; Q107-Y109 PolarHBondContact O-N 3.02Å; Y109-G112 PolarHBondContact O-N 2.83Å; Y109-A113 HydrophobicContact CD1-CB 4.49Å; Y109-A113 HydrophobicContact CE1-CB 4.29Å; Y109-A113 VanDerWaalsContact O-CB 3.24Å; Y109-A113 WeakPolarHBondContact O-CB 3.26Å; Y109-A113 PolarHBondContact O-N 3.44Å; Y109-V117 HydrophobicContact CE2-CG2 3.8Å
110K96.6Very high96.9Very high147 Ų14772 Ų7264%0.63936%0.36SS*.Hα-helixtrans-65.2-40.5-179.6-73.6173.2-177.3-1780112.3R106 Q107 E108R106-K110 VanDerWaalsContact O-CG 3.28Å; R106-K110 WeakPolarHBondContact O-CG 3.33Å; R106-K110 PolarHBondContact O-N 2.85Å; Q107-K110 PolarHBondContact O-N 2.86Å; E108-K110 VanDerWaalsContact C-N 3.32Å; E108-K110 PolarHBondContact O-N 3.17Å
111L96.8Very high96.9Very high103 Ų10373.3 Ų73.354%0.53937%0.367SS..Hα-helixtrans-68.9-38.7177.3-67.3173.3000111.2Q107 E108 F115Q107-L111 HydrophobicContact CG-CD1 4.2Å; Q107-L111 WeakPolarHBondContact O-CG 3.47Å; Q107-L111 PolarHBondContact O-N 2.9Å; E108-L111 PolarHBondContact O-N 2.83Å; L111-F115 WeakPolarHBondContact O-CE1 3.43Å
112G96.8Very high96.9Very high9 Ų975.7 Ų75.79%0.09338%0.382CS..Hα-helixtrans-81.7-28.1-175.200000115.8E108 Y109 P114 F115 T116E108-G112 WeakPolarHBondContact O-CA 3.3Å; E108-G112 PolarHBondContact O-N 2.9Å; Y109-G112 PolarHBondContact O-N 2.83Å; G112-P114 VanDerWaalsContact C-CD 3.44Å; G112-F115 VanDerWaalsContact CA-CZ 3.44Å; G112-F115 PolarHBondContact O-N 2.9Å; G112-F115 VanDerWaalsContact O-N 3.13Å; G112-T116 PolarHBondContact O-N 2.93Å; G112-T116 PolarHBondContact O-OG1 3.45Å
113A96.9Very high96.9Very high11 Ų1171.8 Ų71.89%0.09136%0.363CS..G310 helixtrans-50.9-45.1-170.200000114.5Y109 F115 T116 V117 E118Y109-A113 HydrophobicContact CD1-CB 4.49Å; Y109-A113 HydrophobicContact CE1-CB 4.29Å; Y109-A113 VanDerWaalsContact O-CB 3.24Å; Y109-A113 WeakPolarHBondContact O-CB 3.26Å; Y109-A113 PolarHBondContact O-N 3.44Å; A113-F115 PolarHBondContact O-N 3.46Å; A113-F115 VanDerWaalsContact O-N 3.11Å; A113-T116 PolarHBondContact O-N 2.89Å; A113-V117 HydrophobicContact CB-CB 4.28Å; A113-V117 HydrophobicContact CB-CG2 4.31Å; A113-V117 PolarHBondContact O-N 3.49Å; A113-E118 PolarHBondContact O-N 3.21Å
114P96.9Very high97Very high81 Ų8172.5 Ų72.553%0.52637%0.365SS..G310 helixtrans-60.4-26.2-177.2-26.136.4000114.8G112G112-P114 VanDerWaalsContact C-CD 3.44Å
115F95.5Very high97.1Very high135 Ų13570.3 Ų70.359%0.59235%0.352SS*.G310 helixtrans-116.30.9-177.453.9-96.9000114.1L111 G112 A113L111-F115 WeakPolarHBondContact O-CE1 3.43Å; G112-F115 VanDerWaalsContact CA-CZ 3.44Å; G112-F115 PolarHBondContact O-N 2.9Å; G112-F115 VanDerWaalsContact O-N 3.13Å; A113-F115 PolarHBondContact O-N 3.46Å; A113-F115 VanDerWaalsContact O-N 3.11Å
116T96.6Very high97.1Very high35 Ų3573 Ų7322%0.21537%0.368CS..THydrogen-bonded Turntrans-121.2-65.9176.755.50000111.6G112 A113 R119 W179G112-T116 PolarHBondContact O-N 2.93Å; G112-T116 PolarHBondContact O-OG1 3.45Å; A113-T116 PolarHBondContact O-N 2.89Å; T116-R119 WeakPolarHBondContact O-CB 3.32Å; T116-R119 PolarHBondContact O-N 2.78Å; T116-W179 HydrophobicContact CG2-CH2 3.89Å; T116-W179 HydrophobicContact CG2-CZ3 3.97Å
117V95.9Very high97.1Very high76 Ų7671.1 Ų71.146%0.46136%0.363SS..THydrogen-bonded Turntrans-70.1-44.1-176.5179.30000111.5Y109 A113 R119Y109-V117 HydrophobicContact CE2-CG2 3.8Å; A113-V117 HydrophobicContact CB-CB 4.28Å; A113-V117 HydrophobicContact CB-CG2 4.31Å; A113-V117 PolarHBondContact O-N 3.49Å; V117-R119 VanDerWaalsContact C-N 3.27Å
118E95.7Very high97.1Very high128 Ų12871 Ų7160%0.59836%0.359SS*.SBendtrans-84.7-6-178.5-63.6176-166.200112.5A113 N120A113-E118 PolarHBondContact O-N 3.21Å; E118-N120 PolarHBondContact O-N 2.96Å; E118-N120 PolarHBondContact O-ND2 3.19Å; E118-N120 VanDerWaalsContact O-ND2 3.09Å
119R96.8Very high97.1Very high86 Ų8667.3 Ų67.333%0.32534%0.344SS..  trans-65.1120.7178179.3-178.7172.277.6-1.1109T116 V117 V121 Y149T116-R119 WeakPolarHBondContact O-CB 3.32Å; T116-R119 PolarHBondContact O-N 2.78Å; V117-R119 VanDerWaalsContact C-N 3.27Å; R119-V121 HydrophobicContact CG-CG2 4.43Å; R119-Y149 HydrophobicContact CB-CD1 4.09Å; R119-Y149 HydrophobicContact CB-CE1 4.01Å; R119-Y149 HydrophobicContact CG-CD1 3.77Å; R119-Y149 HydrophobicContact CG-CE1 4.11Å; R119-Y149 HydrophobicContact CG-CG 4.49Å; R119-Y149 VanDerWaalsContact O-CD1 3.29Å; R119-Y149 WeakPolarHBondContact O-CD1 3.42Å
120N97.2Very high96.8Very high77 Ų7769.4 Ų69.441%0.41236%0.356SS..  trans-130.9128.9171-69.5-70.9000109.1E118 Y149 P150E118-N120 PolarHBondContact O-N 2.96Å; E118-N120 PolarHBondContact O-ND2 3.19Å; E118-N120 VanDerWaalsContact O-ND2 3.09Å; N120-Y149 CarbonylContact C-O 3.53Å; N120-Y149 WeakPolarHBondContact CA-O 3.37Å; N120-P150 VanDerWaalsContact OD1-CD 3.3Å; N120-P150 WeakPolarHBondContact OD1-CD 3.43Å
121V98.1Very high96.5Very high36 Ų3670.6 Ų70.622%0.21836%0.357CS..BIsolated β-bridgetrans-124.3117.1174.8-173.40000106.8R119 D147 F148 Y149 H203R119-V121 HydrophobicContact CG-CG2 4.43Å; V121-D147 WeakPolarHBondContact CG1-O 3.39Å; V121-F148 WeakPolarHBondContact O-CA 3.34Å; V121-Y149 PolarHBondContact N-O 2.57Å; V121-Y149 PolarHBondContact O-N 3.44Å; V121-H203 PolarHBondContact O-CE1 3.05Å
122P98.2Very high96Very high69 Ų6970.6 Ų70.645%0.44836%0.361SS..PPolyproline II helixtrans-68.4148-178.829.1-34.6000110.9L206P122-L206 HydrophobicContact CB-CD2 3.8Å
123P98.5Very high95.3Very high18 Ų1872 Ų7212%0.11737%0.368CS..PPolyproline II helixtrans-72.5150.6176.827.7-33.5000113.6V125 V145 T146 F148 V201 H203 L206P123-V125 HydrophobicContact CB-CG2 4.34Å; P123-V125 HydrophobicContact CG-CG2 4.41Å; P123-V145 HydrophobicContact CB-CG1 3.46Å; P123-V145 VanDerWaalsContact CB-CG1 3.46Å; P123-V145 HydrophobicContact CG-CG1 4.27Å; P123-T146 WeakPolarHBondContact CA-O 3.42Å; P123-F148 HydrophobicContact CB-CB 3.74Å; P123-F148 HydrophobicContact CB-CD1 4.1Å; P123-F148 HydrophobicContact CB-CG 4.18Å; P123-F148 HydrophobicContact CG-CB 4.44Å; P123-V201 HydrophobicContact CG-CG1 4.02Å; P123-H203 HydrophobicContact CG-CB 4.2Å; P123-L206 HydrophobicContact CG-CD1 3.87Å; P123-L206 HydrophobicContact CG-CD2 4.45Å; P123-L206 HydrophobicContact CG-CG 4.23Å
124E98.2Very high94.8Very high118 Ų11875.1 Ų75.155%0.55138%0.383SS*.EExtended strand (participates in β ladder)trans-89.9131.1156.6-174168.7176.800109.2V145 T146E124-V145 CarbonylContact O-C 3.58Å; E124-V145 VanDerWaalsContact O-CA 3.32Å; E124-V145 WeakPolarHBondContact O-CA 3.1Å; E124-T146 PolarHBondContact N-O 2.95Å; E124-T146 PolarHBondContact O-N 3.46Å
125V98.6Very high94.1Very high21 Ų2174.4 Ų74.413%0.12738%0.375CS..EExtended strand (participates in β ladder)trans-121.3121.9-175.1-174.70000109.2P123 V145 V201 V210 V212P123-V125 HydrophobicContact CB-CG2 4.34Å; P123-V125 HydrophobicContact CG-CG2 4.41Å; V125-V145 HydrophobicContact CG1-CG2 4.46Å; V125-V145 HydrophobicContact CG2-CG1 4.31Å; V125-V201 HydrophobicContact CG1-CG2 3.9Å; V125-V201 HydrophobicContact CG2-CB 4.1Å; V125-V201 HydrophobicContact CG2-CG1 4.31Å; V125-V201 HydrophobicContact CG2-CG2 3.77Å; V125-V210 HydrophobicContact CB-CG1 4.45Å; V125-V210 HydrophobicContact CG2-CG1 4.24Å; V125-V212 HydrophobicContact CB-CG2 3.87Å; V125-V212 HydrophobicContact CG1-CB 4.17Å; V125-V212 HydrophobicContact CG1-CG2 3.62Å
126T98.1Very high93.6Very high55 Ų5575.9 Ų75.934%0.33738%0.383SS..EExtended strand (participates in β ladder)trans-127.8140.5176.260.60000110.5C143 S144T126-C143 CarbonylContact O-C 3.58Å; T126-C143 WeakPolarHBondContact O-CA 3.36Å; T126-S144 PolarHBondContact N-O 3.11Å; T126-S144 PolarHBondContact O-N 3.26Å
127V98.1Very high93.2Very high23 Ų2379.5 Ų79.514%0.13940%0.398CS..EExtended strand (participates in β ladder)trans-122.5124.9177.8177.30000109.7L141 L142 C143 W157 C199 V212 W214V127-L141 HydrophobicContact CG1-CD1 3.93Å; V127-L141 HydrophobicContact CG1-CD2 3.96Å; V127-L141 HydrophobicContact CG1-CG 3.84Å; V127-L142 VanDerWaalsContact CA-O 3.27Å; V127-L142 WeakPolarHBondContact CA-O 3.4Å; V127-C143 HydrophobicContact CG2-CB 4.25Å; V127-W157 HydrophobicContact CG1-CH2 3.73Å; V127-W157 HydrophobicContact CG1-CZ3 4.26Å; V127-W157 HydrophobicContact CG2-CH2 4.23Å; V127-C199 HydrophobicContact CG2-CB 3.64Å; V127-V212 HydrophobicContact CB-CG1 3.99Å; V127-V212 HydrophobicContact CG2-CB 3.85Å; V127-V212 HydrophobicContact CG2-CG1 3.73Å; V127-W214 HydrophobicContact CG1-CB 3.63Å; V127-W214 HydrophobicContact CG1-CG 4.31Å
128Y95.5Very high93.1Very high99 Ų9983.5 Ų83.539%0.38841%0.411SS..EExtended strand (participates in β ladder)trans-153.4150.7-179.359.2-87.5000111.5L142Y128-L142 HydrophobicContact CD2-CB 4.35Å; Y128-L142 HydrophobicContact CE1-CB 4.32Å; Y128-L142 HydrophobicContact CE2-CB 3.99Å; Y128-L142 HydrophobicContact CE2-CD2 3.8Å; Y128-L142 HydrophobicContact CE2-CG 4.35Å; Y128-L142 PolarHBondContact N-O 2.94Å; Y128-L142 PolarHBondContact O-N 3.14Å
129P95.7Very high93Very high31 Ų3178.1 Ų78.120%0.20139%0.387CS..EExtended strand (participates in β ladder)trans-77.7149.5175.533.8-35.2000110.7R131 P133 L140 L141 M189P129-R131 VanDerWaalsContact C-N 3.26Å; P129-R131 WeakPolarHBondContact CB-O 3.28Å; P129-R131 PolarHBondContact O-N 2.89Å; P129-P133 HydrophobicContact CG-CG 4.39Å; P129-L140 CarbonylContact C-O 3.51Å; P129-L140 WeakPolarHBondContact CA-O 3.24Å; P129-L141 HydrophobicContact CB-CD1 4.27Å; P129-M189 HydrophobicContact CB-CE 4.33Å
130E93Very high93Very high99 Ų9976.1 Ų76.146%0.46338%0.382SS..SBendtrans-60.8-40.3176.8-169-163.1-151.100111.2L140 L142E130-L140 HydrophobicContact CB-CB 3.97Å; E130-L140 PolarHBondContact N-O 3.39Å; E130-L142 HydrophobicContact CB-CD1 3.73Å; E130-L142 HydrophobicContact CG-CD1 4.43Å
131R90.4Very high93Very high173 Ų17372.5 Ų72.565%0.65336%0.363SS*.SBendtrans-131.7163.6-179.3-57.5178.8-162.7174.72.9110.3P129 P133 N139P129-R131 VanDerWaalsContact C-N 3.26Å; P129-R131 WeakPolarHBondContact CB-O 3.28Å; P129-R131 PolarHBondContact O-N 2.89Å; R131-P133 WeakPolarHBondContact O-CD 3.3Å; R131-P133 VanDerWaalsContact O-N 3.1Å; R131-N139 PolarHBondContact N-OD1 3.25Å; R131-N139 PolarHBondContact O-ND2 2.97Å
132T86Confident93Very high102 Ų10272 Ų7263%0.62636%0.359SS*.  trans-50.3119.5173.2-51.80000109.8L134T132-L134 PolarHBondContact O-N 3.21Å
133P82.6Confident93Very high38 Ų3868.7 Ų68.725%0.24734%0.337CS..  trans-73127.8-17230-36000110.6P129 R131 W214P129-P133 HydrophobicContact CG-CG 4.39Å; R131-P133 WeakPolarHBondContact O-CD 3.3Å; R131-P133 VanDerWaalsContact O-N 3.1Å; P133-W214 HydrophobicContact CB-CH2 4.14Å; P133-W214 HydrophobicContact CB-CZ2 3.98Å; P133-W214 HydrophobicContact CG-CZ2 3.96Å
134L84.5Confident93Very high78 Ų7868.5 Ų68.541%0.40834%0.336SS..  trans-113.5130.9169.6-65176.6000108.4T132 Q137T132-L134 PolarHBondContact O-N 3.21Å; L134-Q137 HydrophobicContact CB-CB 4.16Å; L134-Q137 HydrophobicContact CB-CG 4.05Å; L134-Q137 VanDerWaalsContact CD1-OE1 3.29Å; L134-Q137 PolarHBondContact O-N 3.01Å
135L83.4Confident93Very high66 Ų6662.9 Ų62.935%0.34631%0.31SS..THydrogen-bonded Turntrans-58141.4179-65.1176.7000110.1Q137 P191 L193L135-Q137 PolarHBondContact O-N 3.19Å; L135-Q137 VanDerWaalsContact O-N 3.17Å; L135-P191 WeakPolarHBondContact CA-O 3.42Å; L135-L193 HydrophobicContact CD1-CB 4.12Å; L135-L193 HydrophobicContact CD1-CD1 4.32Å; L135-L193 HydrophobicContact CD2-CB 4.4Å
136Q84.9Confident93Very high165 Ų16563 Ų6377%0.77131%0.311SS*.THydrogen-bonded Turntrans61.815.6179.6-56.8170.7-12.900115P191Q136-P191 PolarHBondContact N-O 3.31Å
137Q88.9Confident93Very high111 Ų11164 Ų6452%0.51931%0.314SS..SBendtrans-113.8146.8172.1-62-169.910.500111.3L134 L135 N139 P191L134-Q137 HydrophobicContact CB-CB 4.16Å; L134-Q137 HydrophobicContact CB-CG 4.05Å; L134-Q137 VanDerWaalsContact CD1-OE1 3.29Å; L134-Q137 PolarHBondContact O-N 3.01Å; L135-Q137 PolarHBondContact O-N 3.19Å; L135-Q137 VanDerWaalsContact O-N 3.17Å; Q137-N139 PolarHBondContact O-N 3.34Å; Q137-P191 WeakPolarHBondContact O-CD 3.4Å
138H93.2Very high93Very high160 Ų16062.9 Ų62.974%0.74131%0.308SS*.  trans-61.8134.1176.2-71.1-81.9000111.4M189 I190H138-M189 WeakPolarHBondContact CA-O 3.47Å; H138-I190 WeakPolarHBondContact CE1-CD1 3.44Å; H138-I190 WeakPolarHBondContact ND1-CG1 3.4Å
139N93.7Very high93.2Very high16 Ų1660 Ų609%0.08630%0.296CS..EExtended strand (participates in β ladder)trans-148.3169.3173.1-156.8-11.6000109.6R131 Q137 M189R131-N139 PolarHBondContact N-OD1 3.25Å; R131-N139 PolarHBondContact O-ND2 2.97Å; Q137-N139 PolarHBondContact O-N 3.34Å; N139-M189 HydrophobicContact CB-CE 4.12Å; N139-M189 HydrophobicContact CB-CG 4.49Å; N139-M189 PolarHBondContact N-O 3.03Å; N139-M189 PolarHBondContact O-N 2.03Å; N139-M189 VanDerWaalsContact O-O 3.1Å
140L95.8Very high93.3Very high44 Ų4459.9 Ų59.923%0.2330%0.296CS..EExtended strand (participates in β ladder)trans-112.4132.5172.6-74.3167.9000108.9P129 E130 L142 L187 E188P129-L140 CarbonylContact C-O 3.51Å; P129-L140 WeakPolarHBondContact CA-O 3.24Å; E130-L140 HydrophobicContact CB-CB 3.97Å; E130-L140 PolarHBondContact N-O 3.39Å; L140-L142 HydrophobicContact CB-CD1 4.19Å; L140-L187 WeakPolarHBondContact CA-O 3.23Å; L140-E188 HydrophobicContact CD2-CB 4.36Å; L140-E188 HydrophobicContact CD2-CG 3.63Å
141L97.1Very high93.5Very high0 Ų055.9 Ų55.90%028%0.281CS..EExtended strand (participates in β ladder)trans-102.2124.9170.4-164.166.5000109V127 P129 W157 M186 L187 M189 Y197 W214V127-L141 HydrophobicContact CG1-CD1 3.93Å; V127-L141 HydrophobicContact CG1-CD2 3.96Å; V127-L141 HydrophobicContact CG1-CG 3.84Å; P129-L141 HydrophobicContact CB-CD1 4.27Å; L141-W157 HydrophobicContact CB-CH2 4.22Å; L141-W157 HydrophobicContact CB-CZ2 4.42Å; L141-W157 HydrophobicContact CD2-CE3 4.47Å; L141-W157 HydrophobicContact CD2-CH2 3.46Å; L141-W157 VanDerWaalsContact CD2-CH2 3.46Å; L141-W157 HydrophobicContact CD2-CZ2 4.39Å; L141-W157 HydrophobicContact CD2-CZ3 3.51Å; L141-W157 HydrophobicContact CG-CH2 3.62Å; L141-W157 HydrophobicContact CG-CZ2 4.26Å; L141-W157 HydrophobicContact CG-CZ3 4.21Å; L141-M186 CarbonylContact O-C 3.59Å; L141-M186 VanDerWaalsContact O-CA 3.29Å; L141-M186 WeakPolarHBondContact O-CA 3.37Å; L141-L187 PolarHBondContact N-O 3.23Å; L141-L187 PolarHBondContact O-N 3.1Å; L141-M189 HydrophobicContact CB-CE 3.84Å; L141-M189 HydrophobicContact CB-CG 4.45Å; L141-M189 HydrophobicContact CB-SD 3.85Å; L141-M189 HydrophobicContact CD1-CE 3.88Å; L141-M189 HydrophobicContact CD1-SD 4.49Å; L141-M189 HydrophobicContact CD2-SD 4.27Å; L141-M189 HydrophobicContact CG-CE 4.34Å; L141-M189 HydrophobicContact CG-SD 4.44Å; L141-Y197 VanDerWaalsContact CD2-CB 3.44Å; L141-Y197 HydrophobicContact CD2-CD1 4.32Å; L141-Y197 HydrophobicContact CD2-CD2 4.45Å; L141-Y197 HydrophobicContact CD2-CG 3.84Å; L141-W214 HydrophobicContact CD1-CB 4.33Å; L141-W214 HydrophobicContact CD1-CD2 3.71Å; L141-W214 HydrophobicContact CD1-CE3 4Å; L141-W214 HydrophobicContact CD1-CG 3.83Å; L141-W214 HydrophobicContact CD2-CB 4.23Å; L141-W214 HydrophobicContact CD2-CD2 4.34Å; L141-W214 HydrophobicContact CD2-CE3 4.03Å; L141-W214 HydrophobicContact CD2-CG 4.43Å
142L98.4Very high93.8Very high25 Ų2553.7 Ų53.713%0.13128%0.282CS..EExtended strand (participates in β ladder)trans-103.1128-176.9-72.474.4000108.9V127 Y128 E130 L140 T184 M186V127-L142 VanDerWaalsContact CA-O 3.27Å; V127-L142 WeakPolarHBondContact CA-O 3.4Å; Y128-L142 HydrophobicContact CD2-CB 4.35Å; Y128-L142 HydrophobicContact CE1-CB 4.32Å; Y128-L142 HydrophobicContact CE2-CB 3.99Å; Y128-L142 HydrophobicContact CE2-CD2 3.8Å; Y128-L142 HydrophobicContact CE2-CG 4.35Å; Y128-L142 PolarHBondContact N-O 2.94Å; Y128-L142 PolarHBondContact O-N 3.14Å; E130-L142 HydrophobicContact CB-CD1 3.73Å; E130-L142 HydrophobicContact CG-CD1 4.43Å; L140-L142 HydrophobicContact CB-CD1 4.19Å; L142-T184 HydrophobicContact CB-CG2 4.16Å; L142-T184 HydrophobicContact CD2-CG2 4.13Å; L142-T184 HydrophobicContact CG-CG2 4.24Å; L142-M186 HydrophobicContact CG-CG 3.98Å
143C98.6Very high94.4Very high0 Ų051.1 Ų51.10%026%0.264CS..EExtended strand (participates in β ladder)trans-103.8100.5162.8-177.20000107.9T126 V127 W157 T184 V185 C199T126-C143 CarbonylContact O-C 3.58Å; T126-C143 WeakPolarHBondContact O-CA 3.36Å; V127-C143 HydrophobicContact CG2-CB 4.25Å; C143-W157 HydrophobicContact CB-CH2 3.91Å; C143-W157 HydrophobicContact CB-CZ2 3.44Å; C143-W157 VanDerWaalsContact CB-CZ2 3.44Å; C143-T184 WeakPolarHBondContact O-CA 2.99Å; C143-V185 PolarHBondContact N-O 2.91Å; C143-V185 PolarHBondContact O-N 2.92Å; C143-C199 HydrophobicContact CB-CB 3.57Å; C143-C199 WeakPolarHBondContact CB-SG 3.42Å; C143-C199 WeakPolarHBondContact SG-CB 3.19Å; C143-C199 CovalentContact SG-SG 2.02Å; C143-C199 PolarHBondContact SG-SG 2.65Å
144S98.4Very high95.2Very high14 Ų1451.6 Ų51.610%0.09827%0.268CS..EExtended strand (participates in β ladder)trans-89.3122.5176.3-174.70000108.9T126T126-S144 PolarHBondContact N-O 3.11Å; T126-S144 PolarHBondContact O-N 3.26Å
145V98.7Very high95.8Very high0 Ų049.1 Ų49.10%026%0.256CS..EExtended strand (participates in β ladder)trans-120.1111.2-178.3-171.30000107.7P123 E124 V125 F148 I153 V155 Q182 T183 V201P123-V145 HydrophobicContact CB-CG1 3.46Å; P123-V145 VanDerWaalsContact CB-CG1 3.46Å; P123-V145 HydrophobicContact CG-CG1 4.27Å; E124-V145 CarbonylContact O-C 3.58Å; E124-V145 VanDerWaalsContact O-CA 3.32Å; E124-V145 WeakPolarHBondContact O-CA 3.1Å; V125-V145 HydrophobicContact CG1-CG2 4.46Å; V125-V145 HydrophobicContact CG2-CG1 4.31Å; V145-F148 HydrophobicContact CB-CE1 4.38Å; V145-F148 HydrophobicContact CG1-CD1 3.93Å; V145-F148 HydrophobicContact CG1-CE1 3.92Å; V145-F148 WeakPolarHBondContact O-CE1 3.46Å; V145-I153 HydrophobicContact CG1-CD1 3.59Å; V145-V155 HydrophobicContact CG2-CG1 4.41Å; V145-V155 HydrophobicContact CG2-CG2 4.1Å; V145-Q182 CarbonylContact O-C 3.59Å; V145-Q182 VanDerWaalsContact O-CA 3.26Å; V145-Q182 WeakPolarHBondContact O-CA 3.41Å; V145-T183 HydrophobicContact CB-CG2 4.14Å; V145-T183 PolarHBondContact N-O 3.07Å; V145-T183 PolarHBondContact O-N 2.81Å; V145-V201 HydrophobicContact CG1-CG1 4.18Å; V145-V201 HydrophobicContact CG2-CG2 3.94Å
146T98.5Very high96.5Very high25 Ų2549.2 Ų49.215%0.15325%0.252CS..EExtended strand (participates in β ladder)trans-125.8165.9-169.461.20000112.7P123 E124 F148 Q182P123-T146 WeakPolarHBondContact CA-O 3.42Å; E124-T146 PolarHBondContact N-O 2.95Å; E124-T146 PolarHBondContact O-N 3.46Å; T146-F148 VanDerWaalsContact C-N 3.29Å; T146-F148 PolarHBondContact O-N 3.05Å; T146-Q182 HydrophobicContact CG2-CB 4.12Å
147D98Very high97.2Very high75 Ų7541.4 Ų41.440%0.40122%0.215SC..EExtended strand (participates in β ladder)trans5931.2167.4-53.8-48.9000115.6V121 F181V121-D147 WeakPolarHBondContact CG1-O 3.39Å; D147-F181 PolarHBondContact N-O 3.4Å; D147-F181 VanDerWaalsContact N-O 3.16Å
148F98.6Very high97.6Very high0 Ų037.9 Ų37.90%020%0.198CC..EExtended strand (participates in β ladder)trans-107.3158.1-177.766.6-89.7000114.2V121 P123 V145 T146 P150 I153 L173 T180 F181 T183 H203V121-F148 WeakPolarHBondContact O-CA 3.34Å; P123-F148 HydrophobicContact CB-CB 3.74Å; P123-F148 HydrophobicContact CB-CD1 4.1Å; P123-F148 HydrophobicContact CB-CG 4.18Å; P123-F148 HydrophobicContact CG-CB 4.44Å; V145-F148 HydrophobicContact CB-CE1 4.38Å; V145-F148 HydrophobicContact CG1-CD1 3.93Å; V145-F148 HydrophobicContact CG1-CE1 3.92Å; V145-F148 WeakPolarHBondContact O-CE1 3.46Å; T146-F148 VanDerWaalsContact C-N 3.29Å; T146-F148 PolarHBondContact O-N 3.05Å; F148-P150 WeakPolarHBondContact CD2-O 3.25Å; F148-I153 HydrophobicContact CD1-CD1 4.11Å; F148-I153 HydrophobicContact CD2-CD1 3.94Å; F148-I153 HydrophobicContact CE1-CD1 3.89Å; F148-I153 HydrophobicContact CE2-CB 3.93Å; F148-I153 HydrophobicContact CE2-CD1 3.73Å; F148-I153 HydrophobicContact CE2-CG1 4.44Å; F148-I153 HydrophobicContact CE2-CG2 3.89Å; F148-I153 HydrophobicContact CG-CD1 4.14Å; F148-I153 HydrophobicContact CZ-CB 4.31Å; F148-I153 HydrophobicContact CZ-CD1 3.71Å; F148-I153 HydrophobicContact CZ-CG2 3.87Å; F148-L173 HydrophobicContact CE2-CD1 3.9Å; F148-L173 HydrophobicContact CZ-CD1 3.65Å; F148-T180 CarbonylContact O-C 3.57Å; F148-T180 WeakPolarHBondContact O-CA 3.49Å; F148-F181 VanDerWaalsContact CD1-O 3.3Å; F148-F181 WeakPolarHBondContact CD1-O 3.11Å; F148-F181 HydrophobicContact CD2-CB 4.14Å; F148-F181 HydrophobicContact CE1-CB 4.24Å; F148-F181 WeakPolarHBondContact CE1-O 3.43Å; F148-F181 HydrophobicContact CE2-CB 3.74Å; F148-F181 HydrophobicContact CZ-CB 3.79Å; F148-F181 PolarHBondContact N-O 3Å; F148-F181 PolarHBondContact O-N 2.73Å; F148-T183 HydrophobicContact CE1-CG2 4.34Å; F148-T183 HydrophobicContact CZ-CG2 4.25Å; F148-H203 AromaticContact CD2-CD2 3.79Å; F148-H203 AromaticContact CD2-NE2 3.64Å
149Y98.4Very high97.8Very high38 Ų3833.5 Ų33.515%0.14918%0.175CC..BIsolated β-bridgetrans-156.5139.1173.3-173.2-80.9000110R119 N120 V121 W179 F181 H203R119-Y149 HydrophobicContact CB-CD1 4.09Å; R119-Y149 HydrophobicContact CB-CE1 4.01Å; R119-Y149 HydrophobicContact CG-CD1 3.77Å; R119-Y149 HydrophobicContact CG-CE1 4.11Å; R119-Y149 HydrophobicContact CG-CG 4.49Å; R119-Y149 VanDerWaalsContact O-CD1 3.29Å; R119-Y149 WeakPolarHBondContact O-CD1 3.42Å; N120-Y149 CarbonylContact C-O 3.53Å; N120-Y149 WeakPolarHBondContact CA-O 3.37Å; V121-Y149 PolarHBondContact N-O 2.57Å; V121-Y149 PolarHBondContact O-N 3.44Å; Y149-W179 WeakPolarHBondContact CD2-O 3.35Å; Y149-W179 AromaticContact CE2-CE3 3.96Å; Y149-W179 HydrophobicContact CE2-CE3 3.96Å; Y149-F181 HydrophobicContact CD2-CD2 4.02Å; Y149-F181 AromaticContact CD2-CE2 3.59Å; Y149-F181 HydrophobicContact CD2-CE2 3.59Å; Y149-F181 AromaticContact CE2-CE2 3.85Å; Y149-F181 HydrophobicContact CE2-CE2 3.85Å; Y149-H203 PolarHBondContact O-CE1 3.05Å
150P98.2Very high97.9Very high29 Ų2937.2 Ų37.219%0.18820%0.195CC..SBendcis-73.5178.51.533-37.9000112N120 F148 D152 H203 P204N120-P150 VanDerWaalsContact OD1-CD 3.3Å; N120-P150 WeakPolarHBondContact OD1-CD 3.43Å; F148-P150 WeakPolarHBondContact CD2-O 3.25Å; P150-D152 VanDerWaalsContact C-N 3.26Å; P150-D152 PolarHBondContact O-N 3.11Å; P150-H203 PolarHBondContact O-NE2 3.35Å; P150-P204 HydrophobicContact CG-CG 4.37Å
151G97.8Very high97.8Very high14 Ų1438.2 Ų38.214%0.14422%0.216CC..SBendtrans-72.2-15.2-177.800000115I153G151-I153 PolarHBondContact O-N 3.31Å
152D97.2Very high97.8Very high128 Ų12845.7 Ų45.768%0.68425%0.251SS*.  trans-68.1113.5177.2-64.5-43.2000110.2P150 H203 P204P150-D152 VanDerWaalsContact C-N 3.26Å; P150-D152 PolarHBondContact O-N 3.11Å; D152-H203 PolarHBondContact O-CD2 3.13Å; D152-H203 VanDerWaalsContact O-CD2 3.27Å; D152-P204 WeakPolarHBondContact O-CD 3.31Å
153I98.3Very high97.8Very high48 Ų4847.7 Ų47.725%0.24626%0.26CS..  trans-148.7147.9-174.7-164.8163.8000110.9V145 F148 G151 V155 T183 V201 E202 H203V145-I153 HydrophobicContact CG1-CD1 3.59Å; F148-I153 HydrophobicContact CD1-CD1 4.11Å; F148-I153 HydrophobicContact CD2-CD1 3.94Å; F148-I153 HydrophobicContact CE1-CD1 3.89Å; F148-I153 HydrophobicContact CE2-CB 3.93Å; F148-I153 HydrophobicContact CE2-CD1 3.73Å; F148-I153 HydrophobicContact CE2-CG1 4.44Å; F148-I153 HydrophobicContact CE2-CG2 3.89Å; F148-I153 HydrophobicContact CG-CD1 4.14Å; F148-I153 HydrophobicContact CZ-CB 4.31Å; F148-I153 HydrophobicContact CZ-CD1 3.71Å; F148-I153 HydrophobicContact CZ-CG2 3.87Å; G151-I153 PolarHBondContact O-N 3.31Å; I153-V155 HydrophobicContact CD1-CG2 4.31Å; I153-V155 HydrophobicContact CG1-CG2 4.13Å; I153-T183 HydrophobicContact CG2-CG2 4.41Å; I153-V201 HydrophobicContact CD1-CG1 3.82Å; I153-V201 HydrophobicContact CG1-CG1 4.08Å; I153-E202 WeakPolarHBondContact CG1-O 3.42Å; I153-H203 HydrophobicContact CD1-CB 4.36Å; I153-H203 HydrophobicContact CG1-CB 4.18Å
154S98.1Very high97.7Very high47 Ų4750.5 Ų50.533%0.32927%0.273SS..EExtended strand (participates in β ladder)trans-117.2127.1169.4-167.50000109.8V201 E202S154-V201 CarbonylContact O-C 3.59Å; S154-V201 WeakPolarHBondContact O-CA 3.49Å; S154-E202 PolarHBondContact N-O 2.93Å; S154-E202 PolarHBondContact O-N 3.39Å
155V98.5Very high97.6Very high27 Ų2759 Ų5916%0.16430%0.303CS..EExtended strand (participates in β ladder)trans-128.7122.6178.7-176.50000108.2V145 I153 T183 V185 C199 L200 V201V145-V155 HydrophobicContact CG2-CG1 4.41Å; V145-V155 HydrophobicContact CG2-CG2 4.1Å; I153-V155 HydrophobicContact CD1-CG2 4.31Å; I153-V155 HydrophobicContact CG1-CG2 4.13Å; V155-T183 HydrophobicContact CG2-CG2 4.3Å; V155-V185 HydrophobicContact CB-CG2 3.74Å; V155-V185 HydrophobicContact CG1-CB 3.83Å; V155-V185 HydrophobicContact CG1-CG1 4.45Å; V155-V185 HydrophobicContact CG1-CG2 3.55Å; V155-V185 HydrophobicContact CG2-CG2 4.38Å; V155-C199 VanDerWaalsContact CG1-SG 3.54Å; V155-L200 WeakPolarHBondContact CA-O 3.39Å; V155-V201 HydrophobicContact CG1-CG2 4.26Å; V155-V201 HydrophobicContact CG2-CG1 4.44Å; V155-V201 HydrophobicContact CG2-CG2 4.28Å
156R98.4Very high97.5Very high67 Ų6763.5 Ų63.525%0.25333%0.334SS..EExtended strand (participates in β ladder)trans-130.9143.9-175.3-66.5-174.3-72.7142.4-6.2111.2F158 E163 L200 E202R156-F158 HydrophobicContact CB-CE2 3.95Å; R156-E163 IonicContact CZ-OE2 3.82Å; R156-E163 IonicContact NH1-OE2 2.73Å; R156-E163 PolarHBondContact NH1-OE2 3.18Å; R156-L200 PolarHBondContact N-O 2.91Å; R156-L200 VanDerWaalsContact NH2-CD2 3.26Å; R156-L200 PolarHBondContact O-N 3.2Å; R156-E202 IonicContact CZ-OE1 2.91Å; R156-E202 IonicContact NH2-OE1 3.72Å; R156-E202 PolarHBondContact NH2-OE1 3.36Å
157W98.5Very high97.3Very high2 Ų263.4 Ų63.41%0.00834%0.338CS..EExtended strand (participates in β ladder)trans-96.4144.6174-82.9110.8000111.4V127 L141 C143 E163 E164 V168 V185 L187 S198 C199V127-W157 HydrophobicContact CG1-CH2 3.73Å; V127-W157 HydrophobicContact CG1-CZ3 4.26Å; V127-W157 HydrophobicContact CG2-CH2 4.23Å; L141-W157 HydrophobicContact CB-CH2 4.22Å; L141-W157 HydrophobicContact CB-CZ2 4.42Å; L141-W157 HydrophobicContact CD2-CE3 4.47Å; L141-W157 HydrophobicContact CD2-CH2 3.46Å; L141-W157 VanDerWaalsContact CD2-CH2 3.46Å; L141-W157 HydrophobicContact CD2-CZ2 4.39Å; L141-W157 HydrophobicContact CD2-CZ3 3.51Å; L141-W157 HydrophobicContact CG-CH2 3.62Å; L141-W157 HydrophobicContact CG-CZ2 4.26Å; L141-W157 HydrophobicContact CG-CZ3 4.21Å; C143-W157 HydrophobicContact CB-CH2 3.91Å; C143-W157 HydrophobicContact CB-CZ2 3.44Å; C143-W157 VanDerWaalsContact CB-CZ2 3.44Å; W157-E163 WeakPolarHBondContact O-CA 3.41Å; W157-E164 HydrophobicContact CB-CB 4.28Å; W157-E164 PolarHBondContact O-N 2.84Å; W157-V168 HydrophobicContact CB-CG2 4.3Å; W157-V168 HydrophobicContact CG-CG2 4.47Å; W157-V185 PolarHBondContact NE1-O 2.98Å; W157-V185 VanDerWaalsContact NE1-O 3.17Å; W157-L187 HydrophobicContact CB-CD2 4.25Å; W157-L187 HydrophobicContact CD2-CB 3.97Å; W157-L187 HydrophobicContact CD2-CD2 4.06Å; W157-L187 HydrophobicContact CE3-CD2 4.19Å; W157-L187 HydrophobicContact CG-CB 3.99Å; W157-L187 HydrophobicContact CG-CD2 4.11Å; W157-L187 HydrophobicContact CZ2-CB 4.35Å; W157-S198 CarbonylContact C-O 3.6Å; W157-C199 HydrophobicContact CE3-CB 4.2Å; W157-C199 HydrophobicContact CH2-CB 4.01Å; W157-C199 HydrophobicContact CZ2-CB 4.43Å; W157-C199 HydrophobicContact CZ3-CB 3.88Å
158F98.3Very high97.3Very high37 Ų3762.4 Ų62.416%0.16234%0.335CS..EExtended strand (participates in β ladder)trans-130.9140.8171.4-71-102.6000109.5R156 Q162 E163 Y197 S198 L200R156-F158 HydrophobicContact CB-CE2 3.95Å; F158-Q162 CarbonylContact C-O 3.48Å; F158-Q162 WeakPolarHBondContact CA-O 3.08Å; F158-E163 HydrophobicContact CD1-CB 4.13Å; F158-E163 HydrophobicContact CE1-CB 3.77Å; F158-E163 HydrophobicContact CE1-CG 4.37Å; F158-E163 HydrophobicContact CE2-CG 4.43Å; F158-E163 HydrophobicContact CZ-CB 4.07Å; F158-E163 HydrophobicContact CZ-CG 4.16Å; F158-Y197 CarbonylContact O-C 3.53Å; F158-Y197 VanDerWaalsContact O-CA 3.28Å; F158-Y197 WeakPolarHBondContact O-CA 3.48Å; F158-S198 PolarHBondContact N-O 3.32Å; F158-S198 PolarHBondContact O-N 3.06Å; F158-L200 HydrophobicContact CD2-CB 4.05Å; F158-L200 HydrophobicContact CE2-CB 3.8Å; F158-L200 HydrophobicContact CE2-CD2 3.66Å; F158-L200 HydrophobicContact CE2-CG 4.4Å; F158-L200 HydrophobicContact CZ-CD2 4.07Å
159R97Very high97.2Very high68 Ų6867.5 Ų67.526%0.25736%0.36SS..EExtended strand (participates in β ladder)trans-121.3122.9167.9-175.8-177.3-179.2-1750.7108.3G161 Q162 E192 D195 V196 Y197R159-G161 PolarHBondContact O-N 2.69Å; R159-G161 VanDerWaalsContact O-N 3.08Å; R159-Q162 PolarHBondContact N-O 3.27Å; R159-Q162 PolarHBondContact O-N 3.3Å; R159-E192 IonicContact NH2-OE1 3.15Å; R159-D195 IonicContact CZ-OD1 2.77Å; R159-D195 IonicContact CZ-OD2 3.92Å; R159-D195 IonicContact NE-OD1 3.94Å; R159-D195 PolarHBondContact NE-OD1 3.47Å; R159-D195 IonicContact NE-OD2 2.84Å; R159-D195 PolarHBondContact NE-OD2 3.39Å; R159-D195 IonicContact NH2-OD1 2.65Å; R159-D195 PolarHBondContact NH2-OD1 3.11Å; R159-D195 IonicContact NH2-OD2 3.78Å; R159-D195 PolarHBondContact NH2-OD2 3.26Å; R159-V196 WeakPolarHBondContact CA-O 3.31Å; R159-Y197 HydrophobicContact CB-CD1 4.2Å; R159-Y197 HydrophobicContact CB-CE1 4.2Å; R159-Y197 HydrophobicContact CG-CD1 4.15Å; R159-Y197 HydrophobicContact CG-CE1 3.81Å; R159-Y197 PolarHBondContact NE-OH 2.83Å
160N95.7Very high97.1Very high93 Ų9369 Ų6950%0.49738%0.376SS..THydrogen-bonded Turntrans51.136.1180-57.1-32.2000113.1Q162 D195 V196N160-Q162 VanDerWaalsContact C-N 3.33Å; N160-Q162 PolarHBondContact O-N 3.05Å; N160-D195 PolarHBondContact ND2-OD1 3.35Å; N160-V196 PolarHBondContact N-O 2.91Å; N160-V196 PolarHBondContact OD1-N 3.04Å
161G94Very high97Very high66 Ų6671.3 Ų71.368%0.6839%0.39SS*.THydrogen-bonded Turntrans82.9-2.6-179.800000115.8R159R159-G161 PolarHBondContact O-N 2.69Å; R159-G161 VanDerWaalsContact O-N 3.08Å
162Q96.9Very high97Very high156 Ų15672.2 Ų72.273%0.72940%0.399SS*.EExtended strand (participates in β ladder)trans-99.3136.4174-64.9-171.1-2400110.7F158 R159 N160 E164F158-Q162 CarbonylContact C-O 3.48Å; F158-Q162 WeakPolarHBondContact CA-O 3.08Å; R159-Q162 PolarHBondContact N-O 3.27Å; R159-Q162 PolarHBondContact O-N 3.3Å; N160-Q162 VanDerWaalsContact C-N 3.33Å; N160-Q162 PolarHBondContact O-N 3.05Å; Q162-E164 PolarHBondContact O-N 2.62Å
163E97.8Very high97Very high67 Ų6770.3 Ų70.331%0.31339%0.389SS..EExtended strand (participates in β ladder)trans-67.2125.6179.4-169.7176.4132.700110.2R156 W157 F158 R165R156-E163 IonicContact CZ-OE2 3.82Å; R156-E163 IonicContact NH1-OE2 2.73Å; R156-E163 PolarHBondContact NH1-OE2 3.18Å; W157-E163 WeakPolarHBondContact O-CA 3.41Å; F158-E163 HydrophobicContact CD1-CB 4.13Å; F158-E163 HydrophobicContact CE1-CB 3.77Å; F158-E163 HydrophobicContact CE1-CG 4.37Å; F158-E163 HydrophobicContact CE2-CG 4.43Å; F158-E163 HydrophobicContact CZ-CB 4.07Å; F158-E163 HydrophobicContact CZ-CG 4.16Å; E163-R165 IonicContact OE1-CZ 3.69Å; E163-R165 IonicContact OE1-NE 3.38Å; E163-R165 PolarHBondContact OE1-NE 3.02Å; E163-R165 IonicContact OE1-NH2 3.37Å; E163-R165 PolarHBondContact OE1-NH2 2.81Å
164E96.8Very high97Very high59 Ų5970.9 Ų70.928%0.27639%0.394SS..EExtended strand (participates in β ladder)trans-101.8128.7180-171.459-99.100109.6W157 Q162 S166 L187W157-E164 HydrophobicContact CB-CB 4.28Å; W157-E164 PolarHBondContact O-N 2.84Å; Q162-E164 PolarHBondContact O-N 2.62Å; E164-S166 PolarHBondContact OE1-N 3.16Å; E164-S166 VanDerWaalsContact OE1-N 3.15Å; E164-L187 HydrophobicContact CB-CD1 4.44Å; E164-L187 HydrophobicContact CG-CD1 3.58Å; E164-L187 HydrophobicContact CG-CD2 4.37Å
165R96.5Very high97Very high192 Ų19277.3 Ų77.373%0.72541%0.411SS*.  trans-124.8-22.1-180-64.6-174.6173.4-139.6-0.7112.3E163E163-R165 IonicContact OE1-CZ 3.69Å; E163-R165 IonicContact OE1-NE 3.38Å; E163-R165 PolarHBondContact OE1-NE 3.02Å; E163-R165 IonicContact OE1-NH2 3.37Å; E163-R165 PolarHBondContact OE1-NH2 2.81Å
166S95.9Very high96.9Very high95 Ų9578.7 Ų78.766%0.66442%0.418SS*.THydrogen-bonded Turntrans-76.4135.9178.1-1720000109.5E164 V168E164-S166 PolarHBondContact OE1-N 3.16Å; E164-S166 VanDerWaalsContact OE1-N 3.15Å; S166-V168 PolarHBondContact O-N 2.94Å
167G94.1Very high96.9Very high23 Ų2378.7 Ų78.724%0.23744%0.439CS..THydrogen-bonded Turntrans69.314.3-179.900000114.5E188G167-E188 PolarHBondContact O-N 3.02Å
168V97.8Very high96.8Very high54 Ų5483 Ų8333%0.32746%0.462SS..EExtended strand (participates in β ladder)trans-86.1129174.1177.90000110.1W157 S166 V185 M186 L187W157-V168 HydrophobicContact CB-CG2 4.3Å; W157-V168 HydrophobicContact CG-CG2 4.47Å; S166-V168 PolarHBondContact O-N 2.94Å; V168-V185 HydrophobicContact CG1-CG1 3.57Å; V168-M186 CarbonylContact C-O 3.59Å; V168-M186 VanDerWaalsContact CA-O 3.3Å; V168-M186 WeakPolarHBondContact CA-O 3.33Å; V168-L187 HydrophobicContact CG2-CD1 3.73Å
169M97.5Very high96.7Very high108 Ų10888.2 Ų88.253%0.53248%0.481SS..EExtended strand (participates in β ladder)trans-128.2150.7176.7-56.4-170.578.400110.4V185 M186M169-V185 CarbonylContact O-C 3.57Å; M169-V185 WeakPolarHBondContact O-CA 3.29Å; M169-M186 HydrophobicContact CB-CB 4.38Å; M169-M186 HydrophobicContact CB-CE 4.11Å; M169-M186 PolarHBondContact N-O 3.18Å; M169-M186 PolarHBondContact O-N 3.25Å
170S96.9Very high96.8Very high68 Ų6885.7 Ų85.748%0.47647%0.473SS..EExtended strand (participates in β ladder)trans-130.6145175.6175.90000110.1G172 T183 T184S170-G172 PolarHBondContact O-N 3.27Å; S170-G172 PolarHBondContact OG-N 2.99Å; S170-T183 PolarHBondContact OG-OG1 2.85Å; S170-T184 WeakPolarHBondContact CA-O 3.35Å
171T95.4Very high96.9Very high78 Ų7881.9 Ų81.948%0.47945%0.452SS..  trans-67.8-9.716857.70000112.9T184 M186T171-T184 PolarHBondContact N-O 2.86Å; T171-T184 PolarHBondContact OG1-N 2.79Å; T171-M186 HydrophobicContact CG2-CE 3.94Å
172G96.6Very high97.1Very high34 Ų3482.2 Ų82.235%0.35144%0.436SS..  trans74.2-178-162.500000111.6S170 T183S170-G172 PolarHBondContact O-N 3.27Å; S170-G172 PolarHBondContact OG-N 2.99Å; G172-T183 WeakPolarHBondContact O-CB 3.36Å; G172-T183 PolarHBondContact O-OG1 3.38Å
173L97.8Very high97.2Very high87 Ų8775.1 Ų75.146%0.45540%0.403SS..  trans-81.4123.3178.2-173.272.5000110.2F148 F181F148-L173 HydrophobicContact CE2-CD1 3.9Å; F148-L173 HydrophobicContact CZ-CD1 3.65Å; L173-F181 HydrophobicContact CD1-CB 3.7Å; L173-F181 HydrophobicContact CD1-CD1 3.89Å; L173-F181 HydrophobicContact CD1-CG 3.99Å; L173-F181 HydrophobicContact CD2-CD1 3.66Å; L173-F181 HydrophobicContact CD2-CE1 3.8Å; L173-F181 HydrophobicContact CD2-CG 4.34Å; L173-F181 HydrophobicContact CG-CB 4.37Å; L173-F181 HydrophobicContact CG-CD1 3.63Å; L173-F181 HydrophobicContact CG-CE1 4.25Å; L173-F181 HydrophobicContact CG-CG 4.26Å
174V98.2Very high97.2Very high61 Ų6172.9 Ų72.937%0.3739%0.394SS..EExtended strand (participates in β ladder)trans-105.7130.9176.61800000109.1F181 Q182V174-F181 VanDerWaalsContact O-CA 3.25Å; V174-F181 WeakPolarHBondContact O-CA 3.04Å; V174-Q182 HydrophobicContact CB-CG 3.72Å; V174-Q182 HydrophobicContact CG1-CG 4.11Å; V174-Q182 HydrophobicContact CG2-CG 4.49Å; V174-Q182 PolarHBondContact N-O 3.13Å; V174-Q182 PolarHBondContact O-N 2.96Å
175R98Very high97.3Very high182 Ų18270.5 Ų70.569%0.68738%0.384SS*.EExtended strand (participates in β ladder)trans-94.4121.8175.4-176.1-173.1-63.6-89.10.1109.4F181R175-F181 HydrophobicContact CB-CD1 4.17Å; R175-F181 HydrophobicContact CB-CE1 3.99Å; R175-F181 HydrophobicContact CG-CE1 4.09Å
176N97.6Very high97.4Very high56 Ų5663.3 Ų63.330%0.29936%0.358SS..  trans-79.3-20.9-175.2-66.8-21.2000113.7D178 T180 Q182N176-D178 VanDerWaalsContact CB-OD1 3.23Å; N176-D178 WeakPolarHBondContact CB-OD1 3.31Å; N176-T180 PolarHBondContact N-O 3.47Å; N176-T180 VanDerWaalsContact N-O 3.16Å; N176-T180 PolarHBondContact ND2-OG1 3.23Å; N176-Q182 PolarHBondContact OD1-NE2 2.96Å
177G96.8Very high97.5Very high67 Ų6758.8 Ų58.869%0.69133%0.327SS*.SBendtrans90.2-1.7-177.500000114.4
178D97.3Very high97.7Very high93 Ų9363.3 Ų63.350%0.49734%0.342SS..SBendtrans-114.722.2-179.466.3-5.3000113N176 T180N176-D178 VanDerWaalsContact CB-OD1 3.23Å; N176-D178 WeakPolarHBondContact CB-OD1 3.31Å; D178-T180 VanDerWaalsContact C-N 3.31Å; D178-T180 WeakPolarHBondContact OD1-CB 3.42Å; D178-T180 PolarHBondContact OD1-N 3.45Å; D178-T180 PolarHBondContact OD1-OG1 3.46Å
179W96.9Very high97.5Very high145 Ų14561.1 Ų61.155%0.54933%0.328SS..SBendtrans66.926.2-173.7-61.972.6000115T116 Y149T116-W179 HydrophobicContact CG2-CH2 3.89Å; T116-W179 HydrophobicContact CG2-CZ3 3.97Å; Y149-W179 WeakPolarHBondContact CD2-O 3.35Å; Y149-W179 AromaticContact CE2-CE3 3.96Å; Y149-W179 HydrophobicContact CE2-CE3 3.96Å
180T98.1Very high97.3Very high15 Ų1559.3 Ų59.39%0.09232%0.32CS..  trans-124164165.770.30000111.7F148 N176 D178F148-T180 CarbonylContact O-C 3.57Å; F148-T180 WeakPolarHBondContact O-CA 3.49Å; N176-T180 PolarHBondContact N-O 3.47Å; N176-T180 VanDerWaalsContact N-O 3.16Å; N176-T180 PolarHBondContact ND2-OG1 3.23Å; D178-T180 VanDerWaalsContact C-N 3.31Å; D178-T180 WeakPolarHBondContact OD1-CB 3.42Å; D178-T180 PolarHBondContact OD1-N 3.45Å; D178-T180 PolarHBondContact OD1-OG1 3.46Å
181F98.6Very high97.1Very high13 Ų1356.1 Ų56.16%0.05730%0.298CS..EExtended strand (participates in β ladder)trans-124.1161.3174.7-63.9-87.9000110.6D147 F148 Y149 L173 V174 R175D147-F181 PolarHBondContact N-O 3.4Å; D147-F181 VanDerWaalsContact N-O 3.16Å; F148-F181 VanDerWaalsContact CD1-O 3.3Å; F148-F181 WeakPolarHBondContact CD1-O 3.11Å; F148-F181 HydrophobicContact CD2-CB 4.14Å; F148-F181 HydrophobicContact CE1-CB 4.24Å; F148-F181 WeakPolarHBondContact CE1-O 3.43Å; F148-F181 HydrophobicContact CE2-CB 3.74Å; F148-F181 HydrophobicContact CZ-CB 3.79Å; F148-F181 PolarHBondContact N-O 3Å; F148-F181 PolarHBondContact O-N 2.73Å; Y149-F181 HydrophobicContact CD2-CD2 4.02Å; Y149-F181 AromaticContact CD2-CE2 3.59Å; Y149-F181 HydrophobicContact CD2-CE2 3.59Å; Y149-F181 AromaticContact CE2-CE2 3.85Å; Y149-F181 HydrophobicContact CE2-CE2 3.85Å; L173-F181 HydrophobicContact CD1-CB 3.7Å; L173-F181 HydrophobicContact CD1-CD1 3.89Å; L173-F181 HydrophobicContact CD1-CG 3.99Å; L173-F181 HydrophobicContact CD2-CD1 3.66Å; L173-F181 HydrophobicContact CD2-CE1 3.8Å; L173-F181 HydrophobicContact CD2-CG 4.34Å; L173-F181 HydrophobicContact CG-CB 4.37Å; L173-F181 HydrophobicContact CG-CD1 3.63Å; L173-F181 HydrophobicContact CG-CE1 4.25Å; L173-F181 HydrophobicContact CG-CG 4.26Å; V174-F181 VanDerWaalsContact O-CA 3.25Å; V174-F181 WeakPolarHBondContact O-CA 3.04Å; R175-F181 HydrophobicContact CB-CD1 4.17Å; R175-F181 HydrophobicContact CB-CE1 3.99Å; R175-F181 HydrophobicContact CG-CE1 4.09Å
182Q98.4Very high96.9Very high73 Ų7357.9 Ų57.934%0.34130%0.3SS..EExtended strand (participates in β ladder)trans-140.6155.5168.664.9-179.4-58.400110.7V145 T146 V174 N176V145-Q182 CarbonylContact O-C 3.59Å; V145-Q182 VanDerWaalsContact O-CA 3.26Å; V145-Q182 WeakPolarHBondContact O-CA 3.41Å; T146-Q182 HydrophobicContact CG2-CB 4.12Å; V174-Q182 HydrophobicContact CB-CG 3.72Å; V174-Q182 HydrophobicContact CG1-CG 4.11Å; V174-Q182 HydrophobicContact CG2-CG 4.49Å; V174-Q182 PolarHBondContact N-O 3.13Å; V174-Q182 PolarHBondContact O-N 2.96Å; N176-Q182 PolarHBondContact OD1-NE2 2.96Å
183T98.6Very high96.6Very high8 Ų862 Ų625%0.04931%0.314CS..EExtended strand (participates in β ladder)trans-151.8146.5169.8-168.30000109.5V145 F148 I153 V155 S170 G172V145-T183 HydrophobicContact CB-CG2 4.14Å; V145-T183 PolarHBondContact N-O 3.07Å; V145-T183 PolarHBondContact O-N 2.81Å; F148-T183 HydrophobicContact CE1-CG2 4.34Å; F148-T183 HydrophobicContact CZ-CG2 4.25Å; I153-T183 HydrophobicContact CG2-CG2 4.41Å; V155-T183 HydrophobicContact CG2-CG2 4.3Å; S170-T183 PolarHBondContact OG-OG1 2.85Å; G172-T183 WeakPolarHBondContact O-CB 3.36Å; G172-T183 PolarHBondContact O-OG1 3.38Å
184T98.6Very high96.2Very high20 Ų2060.2 Ų60.212%0.12332%0.316CS..EExtended strand (participates in β ladder)trans-118.8123.2173.6-60.70000108.6L142 C143 S170 T171 M186L142-T184 HydrophobicContact CB-CG2 4.16Å; L142-T184 HydrophobicContact CD2-CG2 4.13Å; L142-T184 HydrophobicContact CG-CG2 4.24Å; C143-T184 WeakPolarHBondContact O-CA 2.99Å; S170-T184 WeakPolarHBondContact CA-O 3.35Å; T171-T184 PolarHBondContact N-O 2.86Å; T171-T184 PolarHBondContact OG1-N 2.79Å; T184-M186 HydrophobicContact CG2-CG 4.23Å
185V98.5Very high96Very high9 Ų957.8 Ų57.86%0.05530%0.301CS..EExtended strand (participates in β ladder)trans-107.6115174.5-174.10000109C143 V155 W157 V168 M169C143-V185 PolarHBondContact N-O 2.91Å; C143-V185 PolarHBondContact O-N 2.92Å; V155-V185 HydrophobicContact CB-CG2 3.74Å; V155-V185 HydrophobicContact CG1-CB 3.83Å; V155-V185 HydrophobicContact CG1-CG1 4.45Å; V155-V185 HydrophobicContact CG1-CG2 3.55Å; V155-V185 HydrophobicContact CG2-CG2 4.38Å; W157-V185 PolarHBondContact NE1-O 2.98Å; W157-V185 VanDerWaalsContact NE1-O 3.17Å; V168-V185 HydrophobicContact CG1-CG1 3.57Å; M169-V185 CarbonylContact O-C 3.57Å; M169-V185 WeakPolarHBondContact O-CA 3.29Å
186M98.3Very high95.9Very high40 Ų4051.6 Ų51.620%0.19728%0.283CS..EExtended strand (participates in β ladder)trans-96.5145.5-177.8-65.8147.1-71.300110.4L141 L142 V168 M169 T171 T184L141-M186 CarbonylContact O-C 3.59Å; L141-M186 VanDerWaalsContact O-CA 3.29Å; L141-M186 WeakPolarHBondContact O-CA 3.37Å; L142-M186 HydrophobicContact CG-CG 3.98Å; V168-M186 CarbonylContact C-O 3.59Å; V168-M186 VanDerWaalsContact CA-O 3.3Å; V168-M186 WeakPolarHBondContact CA-O 3.33Å; M169-M186 HydrophobicContact CB-CB 4.38Å; M169-M186 HydrophobicContact CB-CE 4.11Å; M169-M186 PolarHBondContact N-O 3.18Å; M169-M186 PolarHBondContact O-N 3.25Å; T171-M186 HydrophobicContact CG2-CE 3.94Å; T184-M186 HydrophobicContact CG2-CG 4.23Å
187L98.3Very high95.9Very high1 Ų149 Ų491%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-125.3122.8171.5173.765.5000109.6L140 L141 W157 E164 V168 M189 Y197L140-L187 WeakPolarHBondContact CA-O 3.23Å; L141-L187 PolarHBondContact N-O 3.23Å; L141-L187 PolarHBondContact O-N 3.1Å; W157-L187 HydrophobicContact CB-CD2 4.25Å; W157-L187 HydrophobicContact CD2-CB 3.97Å; W157-L187 HydrophobicContact CD2-CD2 4.06Å; W157-L187 HydrophobicContact CE3-CD2 4.19Å; W157-L187 HydrophobicContact CG-CB 3.99Å; W157-L187 HydrophobicContact CG-CD2 4.11Å; W157-L187 HydrophobicContact CZ2-CB 4.35Å; E164-L187 HydrophobicContact CB-CD1 4.44Å; E164-L187 HydrophobicContact CG-CD1 3.58Å; E164-L187 HydrophobicContact CG-CD2 4.37Å; V168-L187 HydrophobicContact CG2-CD1 3.73Å; L187-M189 PolarHBondContact O-N 3.04Å; L187-Y197 HydrophobicContact CD2-CD1 3.63Å; L187-Y197 HydrophobicContact CD2-CE1 3.93Å
188E97.4Very high96Very high118 Ų11846.8 Ų46.855%0.55124%0.243SC*.EExtended strand (participates in β ladder)trans-66.4124.9165.7-69.1180179.600110L140 G167L140-E188 HydrophobicContact CD2-CB 4.36Å; L140-E188 HydrophobicContact CD2-CG 3.63Å; G167-E188 PolarHBondContact O-N 3.02Å
189M93.7Very high96Very high7 Ų742.4 Ų42.43%0.03422%0.22CC..EExtended strand (participates in β ladder)trans-139.9154.7-178.365.1167.6-17700113P129 H138 N139 L141 L187 P191 Y197 W214P129-M189 HydrophobicContact CB-CE 4.33Å; H138-M189 WeakPolarHBondContact CA-O 3.47Å; N139-M189 HydrophobicContact CB-CE 4.12Å; N139-M189 HydrophobicContact CB-CG 4.49Å; N139-M189 PolarHBondContact N-O 3.03Å; N139-M189 PolarHBondContact O-N 2.03Å; N139-M189 VanDerWaalsContact O-O 3.1Å; L141-M189 HydrophobicContact CB-CE 3.84Å; L141-M189 HydrophobicContact CB-CG 4.45Å; L141-M189 HydrophobicContact CB-SD 3.85Å; L141-M189 HydrophobicContact CD1-CE 3.88Å; L141-M189 HydrophobicContact CD1-SD 4.49Å; L141-M189 HydrophobicContact CD2-SD 4.27Å; L141-M189 HydrophobicContact CG-CE 4.34Å; L141-M189 HydrophobicContact CG-SD 4.44Å; L187-M189 PolarHBondContact O-N 3.04Å; M189-P191 HydrophobicContact SD-CB 4.43Å; M189-Y197 HydrophobicContact CB-CE1 4.02Å; M189-Y197 HydrophobicContact SD-CD2 4.35Å; M189-Y197 HydrophobicContact SD-CE1 4.27Å; M189-Y197 HydrophobicContact SD-CE2 3.96Å; M189-W214 HydrophobicContact CE-CH2 3.87Å; M189-W214 HydrophobicContact CE-CZ2 4.46Å; M189-W214 HydrophobicContact CE-CZ3 3.9Å; M189-W214 HydrophobicContact SD-CE3 4.5Å; M189-W214 HydrophobicContact SD-CH2 4.42Å; M189-W214 HydrophobicContact SD-CZ3 3.91Å
190I94.1Very high96.1Very high70 Ų7036.9 Ų36.936%0.35920%0.201SC..  trans-122.397.7163.9-56.3172.9000104.7H138 E192H138-I190 WeakPolarHBondContact CE1-CD1 3.44Å; H138-I190 WeakPolarHBondContact ND1-CG1 3.4Å; I190-E192 PolarHBondContact O-N 2.88Å
191P91.9Very high96.1Very high1 Ų136.1 Ų36.11%0.00620%0.196CC..PPolyproline II helixtrans-72.5129.4-169.428.1-31.6000110.8L135 Q136 Q137 M189 W214 A216L135-P191 WeakPolarHBondContact CA-O 3.42Å; Q136-P191 PolarHBondContact N-O 3.31Å; Q137-P191 WeakPolarHBondContact O-CD 3.4Å; M189-P191 HydrophobicContact SD-CB 4.43Å; P191-W214 HydrophobicContact CB-CH2 4.24Å; P191-W214 HydrophobicContact CB-CZ3 4.35Å; P191-A216 HydrophobicContact CB-CB 3.81Å
192E91.6Very high96.1Very high115 Ų11539.1 Ų39.154%0.53721%0.21SC..PPolyproline II helixtrans-101151.7168.6-59.7-179.5-162.500110.2R159 I190 G194 D195 A216R159-E192 IonicContact NH2-OE1 3.15Å; I190-E192 PolarHBondContact O-N 2.88Å; E192-G194 PolarHBondContact O-N 2.85Å; E192-D195 WeakPolarHBondContact CB-OD2 3.31Å; E192-D195 PolarHBondContact N-OD2 3.04Å; E192-D195 WeakPolarHBondContact O-CB 3.27Å; E192-D195 PolarHBondContact O-N 2.77Å; E192-A216 WeakPolarHBondContact O-CB 3.19Å
193L90.8Very high96.1Very high122 Ų12236.2 Ų36.264%0.63920%0.197SC*.THydrogen-bonded Turntrans-60.8124-177-177.768.1000110.5L135L135-L193 HydrophobicContact CD1-CB 4.12Å; L135-L193 HydrophobicContact CD1-CD1 4.32Å; L135-L193 HydrophobicContact CD2-CB 4.4Å
194G89.3Confident96.1Very high48 Ų4839.7 Ų39.750%0.49522%0.22SC..THydrogen-bonded Turntrans88.4-2.2-179.900000114.6E192 V196 A216E192-G194 PolarHBondContact O-N 2.85Å; G194-V196 PolarHBondContact O-N 3.16Å; G194-A216 PolarHBondContact N-O 2.7Å
195D94Very high95.9Very high10 Ų1039.9 Ų39.95%0.05323%0.226CC..  trans-58.1135.8168.4-84.7-37.6000110.6R159 N160 E192 Y197 V215 A216R159-D195 IonicContact CZ-OD1 2.77Å; R159-D195 IonicContact CZ-OD2 3.92Å; R159-D195 IonicContact NE-OD1 3.94Å; R159-D195 PolarHBondContact NE-OD1 3.47Å; R159-D195 IonicContact NE-OD2 2.84Å; R159-D195 PolarHBondContact NE-OD2 3.39Å; R159-D195 IonicContact NH2-OD1 2.65Å; R159-D195 PolarHBondContact NH2-OD1 3.11Å; R159-D195 IonicContact NH2-OD2 3.78Å; R159-D195 PolarHBondContact NH2-OD2 3.26Å; N160-D195 PolarHBondContact ND2-OD1 3.35Å; E192-D195 WeakPolarHBondContact CB-OD2 3.31Å; E192-D195 PolarHBondContact N-OD2 3.04Å; E192-D195 WeakPolarHBondContact O-CB 3.27Å; E192-D195 PolarHBondContact O-N 2.77Å; D195-Y197 HydrophobicContact CB-CD2 4.2Å; D195-Y197 HydrophobicContact CB-CE2 3.54Å; D195-Y197 PolarHBondContact OD2-OH 3.41Å; D195-V215 WeakPolarHBondContact O-CA 3.26Å; D195-A216 HydrophobicContact CB-CB 3.99Å; D195-A216 PolarHBondContact O-N 2.77Å
196V96Very high95.9Very high52 Ų5241.1 Ų41.132%0.31523%0.232SC..EExtended strand (participates in β ladder)trans-115.1113.5174.5-175.10000108.7R159 N160 G194 A213 V215R159-V196 WeakPolarHBondContact CA-O 3.31Å; N160-V196 PolarHBondContact N-O 2.91Å; N160-V196 PolarHBondContact OD1-N 3.04Å; G194-V196 PolarHBondContact O-N 3.16Å; V196-A213 HydrophobicContact CG1-CB 4.31Å; V196-V215 HydrophobicContact CG1-CG2 4.39Å; V196-V215 HydrophobicContact CG2-CG1 4.46Å; V196-V215 HydrophobicContact CG2-CG2 4.2Å
197Y97.1Very high95.8Very high2 Ų248.3 Ų48.31%0.00827%0.27CS..EExtended strand (participates in β ladder)trans-96.7142.3172.6-62.1-94000108.9L141 F158 R159 L187 M189 D195 A213 W214L141-Y197 VanDerWaalsContact CD2-CB 3.44Å; L141-Y197 HydrophobicContact CD2-CD1 4.32Å; L141-Y197 HydrophobicContact CD2-CD2 4.45Å; L141-Y197 HydrophobicContact CD2-CG 3.84Å; F158-Y197 CarbonylContact O-C 3.53Å; F158-Y197 VanDerWaalsContact O-CA 3.28Å; F158-Y197 WeakPolarHBondContact O-CA 3.48Å; R159-Y197 HydrophobicContact CB-CD1 4.2Å; R159-Y197 HydrophobicContact CB-CE1 4.2Å; R159-Y197 HydrophobicContact CG-CD1 4.15Å; R159-Y197 HydrophobicContact CG-CE1 3.81Å; R159-Y197 PolarHBondContact NE-OH 2.83Å; L187-Y197 HydrophobicContact CD2-CD1 3.63Å; L187-Y197 HydrophobicContact CD2-CE1 3.93Å; M189-Y197 HydrophobicContact CB-CE1 4.02Å; M189-Y197 HydrophobicContact SD-CD2 4.35Å; M189-Y197 HydrophobicContact SD-CE1 4.27Å; M189-Y197 HydrophobicContact SD-CE2 3.96Å; D195-Y197 HydrophobicContact CB-CD2 4.2Å; D195-Y197 HydrophobicContact CB-CE2 3.54Å; D195-Y197 PolarHBondContact OD2-OH 3.41Å; Y197-A213 CarbonylContact O-C 3.55Å; Y197-A213 VanDerWaalsContact O-CA 3.26Å; Y197-A213 WeakPolarHBondContact O-CA 3.44Å; Y197-W214 AromaticContact CD2-CE3 3.58Å; Y197-W214 HydrophobicContact CD2-CE3 3.58Å; Y197-W214 AromaticContact CD2-CZ3 3.69Å; Y197-W214 HydrophobicContact CD2-CZ3 3.69Å; Y197-W214 HydrophobicContact CE2-CE3 4.26Å; Y197-W214 AromaticContact CE2-CZ3 3.89Å; Y197-W214 HydrophobicContact CE2-CZ3 3.89Å; Y197-W214 HydrophobicContact CG-CE3 4.3Å; Y197-W214 PolarHBondContact N-O 3.37Å; Y197-W214 PolarHBondContact O-N 2.9Å
198S98Very high95.8Very high21 Ų2158 Ų5815%0.14731%0.306CS..EExtended strand (participates in β ladder)trans-139128.5178.9-64.80000110.6W157 F158 V212W157-S198 CarbonylContact C-O 3.6Å; F158-S198 PolarHBondContact N-O 3.32Å; F158-S198 PolarHBondContact O-N 3.06Å; S198-V212 WeakPolarHBondContact CA-O 3.28Å
199C98.4Very high95.8Very high0 Ų055.7 Ų55.70%030%0.302CS..EExtended strand (participates in β ladder)trans-95.1114.8170.3-178.10000108.9V127 C143 V155 W157 S211 V212V127-C199 HydrophobicContact CG2-CB 3.64Å; C143-C199 HydrophobicContact CB-CB 3.57Å; C143-C199 WeakPolarHBondContact CB-SG 3.42Å; C143-C199 WeakPolarHBondContact SG-CB 3.19Å; C143-C199 CovalentContact SG-SG 2.02Å; C143-C199 PolarHBondContact SG-SG 2.65Å; V155-C199 VanDerWaalsContact CG1-SG 3.54Å; W157-C199 HydrophobicContact CE3-CB 4.2Å; W157-C199 HydrophobicContact CH2-CB 4.01Å; W157-C199 HydrophobicContact CZ2-CB 4.43Å; W157-C199 HydrophobicContact CZ3-CB 3.88Å; C199-S211 WeakPolarHBondContact O-CA 3.16Å; C199-V212 PolarHBondContact N-O 3.4Å; C199-V212 PolarHBondContact O-N 2.75Å
200L98.6Very high96Very high29 Ų2957.8 Ų57.815%0.15232%0.315CS..EExtended strand (participates in β ladder)trans-100123.1178-175.771.2000109.6V155 R156 F158 P209 V210V155-L200 WeakPolarHBondContact CA-O 3.39Å; R156-L200 PolarHBondContact N-O 2.91Å; R156-L200 VanDerWaalsContact NH2-CD2 3.26Å; R156-L200 PolarHBondContact O-N 3.2Å; F158-L200 HydrophobicContact CD2-CB 4.05Å; F158-L200 HydrophobicContact CE2-CB 3.8Å; F158-L200 HydrophobicContact CE2-CD2 3.66Å; F158-L200 HydrophobicContact CE2-CG 4.4Å; F158-L200 HydrophobicContact CZ-CD2 4.07Å; L200-P209 HydrophobicContact CD1-CB 3.73Å; L200-P209 HydrophobicContact CG-CB 4.39Å; L200-V210 CarbonylContact C-O 3.48Å; L200-V210 WeakPolarHBondContact CA-O 3.45Å
201V98.7Very high96.1Very high0 Ų058 Ų580%032%0.322CS..EExtended strand (participates in β ladder)trans-118.5126.6-177.6-178.50000110P123 V125 V145 I153 S154 V155 L206 P209 V210P123-V201 HydrophobicContact CG-CG1 4.02Å; V125-V201 HydrophobicContact CG1-CG2 3.9Å; V125-V201 HydrophobicContact CG2-CB 4.1Å; V125-V201 HydrophobicContact CG2-CG1 4.31Å; V125-V201 HydrophobicContact CG2-CG2 3.77Å; V145-V201 HydrophobicContact CG1-CG1 4.18Å; V145-V201 HydrophobicContact CG2-CG2 3.94Å; I153-V201 HydrophobicContact CD1-CG1 3.82Å; I153-V201 HydrophobicContact CG1-CG1 4.08Å; S154-V201 CarbonylContact O-C 3.59Å; S154-V201 WeakPolarHBondContact O-CA 3.49Å; V155-V201 HydrophobicContact CG1-CG2 4.26Å; V155-V201 HydrophobicContact CG2-CG1 4.44Å; V155-V201 HydrophobicContact CG2-CG2 4.28Å; V201-L206 HydrophobicContact CG1-CD1 4.44Å; V201-P209 CarbonylContact O-C 3.56Å; V201-P209 VanDerWaalsContact O-CA 3.31Å; V201-P209 WeakPolarHBondContact O-CA 3.37Å; V201-V210 PolarHBondContact N-O 3.47Å; V201-V210 PolarHBondContact O-N 2.89Å
202E98.6Very high96.4Very high75 Ų7559.9 Ų59.935%0.3533%0.334SS..EExtended strand (participates in β ladder)trans-117.5128.1173-53.8178.5-172.600109I153 S154 R156 P209I153-E202 WeakPolarHBondContact CG1-O 3.42Å; S154-E202 PolarHBondContact N-O 2.93Å; S154-E202 PolarHBondContact O-N 3.39Å; R156-E202 IonicContact CZ-OE1 2.91Å; R156-E202 IonicContact NH2-OE1 3.72Å; R156-E202 PolarHBondContact NH2-OE1 3.36Å; E202-P209 HydrophobicContact CG-CB 3.94Å; E202-P209 HydrophobicContact CG-CG 3.93Å
203H98.6Very high96.7Very high12 Ų1257.4 Ų57.46%0.05633%0.333CS..  trans-151.9143-175.9-179.8-97.2000109.7V121 P123 F148 Y149 P150 D152 I153 G205 L206V121-H203 PolarHBondContact O-CE1 3.05Å; P123-H203 HydrophobicContact CG-CB 4.2Å; F148-H203 AromaticContact CD2-CD2 3.79Å; F148-H203 AromaticContact CD2-NE2 3.64Å; Y149-H203 PolarHBondContact O-CE1 3.05Å; P150-H203 PolarHBondContact O-NE2 3.35Å; D152-H203 PolarHBondContact O-CD2 3.13Å; D152-H203 VanDerWaalsContact O-CD2 3.27Å; I153-H203 HydrophobicContact CD1-CB 4.36Å; I153-H203 HydrophobicContact CG1-CB 4.18Å; H203-G205 PolarHBondContact CE1-N 2.81Å; H203-G205 WeakPolarHBondContact ND1-CA 3.39Å; H203-G205 PolarHBondContact ND1-N 2.85Å; H203-G205 PolarHBondContact O-N 3.49Å; H203-G205 VanDerWaalsContact O-N 3.13Å; H203-L206 HydrophobicContact CB-CD1 4.02Å; H203-L206 HydrophobicContact CB-CG 4.19Å; H203-L206 WeakPolarHBondContact O-CB 3.34Å; H203-L206 PolarHBondContact O-N 2.92Å
204P97.3Very high96.9Very high82 Ų8253.5 Ų53.553%0.53231%0.31SS..THydrogen-bonded Turntrans-57.3-25.7179.9-28.136.4000115.3P150 D152 L206P150-P204 HydrophobicContact CG-CG 4.37Å; D152-P204 WeakPolarHBondContact O-CD 3.31Å; P204-L206 VanDerWaalsContact C-N 3.26Å; P204-L206 PolarHBondContact O-N 3.25Å
205G95.4Very high97.1Very high24 Ų2453.9 Ų53.925%0.24730%0.303CS..THydrogen-bonded Turntrans-76.2-8.7174.900000114.5H203H203-G205 PolarHBondContact CE1-N 2.81Å; H203-G205 WeakPolarHBondContact ND1-CA 3.39Å; H203-G205 PolarHBondContact ND1-N 2.85Å; H203-G205 PolarHBondContact O-N 3.49Å; H203-G205 VanDerWaalsContact O-N 3.13Å
206L97.6Very high96.9Very high35 Ų3553.5 Ų53.518%0.18330%0.301CS..  trans-100.6132.5177.4-63172.4000111P122 P123 V201 H203 P204 R208 V210P122-L206 HydrophobicContact CB-CD2 3.8Å; P123-L206 HydrophobicContact CG-CD1 3.87Å; P123-L206 HydrophobicContact CG-CD2 4.45Å; P123-L206 HydrophobicContact CG-CG 4.23Å; V201-L206 HydrophobicContact CG1-CD1 4.44Å; H203-L206 HydrophobicContact CB-CD1 4.02Å; H203-L206 HydrophobicContact CB-CG 4.19Å; H203-L206 WeakPolarHBondContact O-CB 3.34Å; H203-L206 PolarHBondContact O-N 2.92Å; P204-L206 VanDerWaalsContact C-N 3.26Å; P204-L206 PolarHBondContact O-N 3.25Å; L206-R208 WeakPolarHBondContact CB-O 3.4Å; L206-R208 PolarHBondContact O-N 2.9Å; L206-V210 HydrophobicContact CD1-CB 4.18Å; L206-V210 HydrophobicContact CD1-CG2 3.8Å; L206-V210 HydrophobicContact CD2-CG2 3.82Å; L206-V210 HydrophobicContact CG-CG2 4.4Å
207L96.7Very high96.3Very high190 Ų19057.8 Ų57.8100%0.99532%0.317SS*.SBendtrans-66.2-28.5173-66.9175.7000112.9
208R97.2Very high94.7Very high204 Ų20460 Ų6077%0.7733%0.333SS*.SBendtrans-148.5154178.956.7178.3161163.7-3.9109.3L206 V210L206-R208 WeakPolarHBondContact CB-O 3.4Å; L206-R208 PolarHBondContact O-N 2.9Å; R208-V210 PolarHBondContact O-N 2.78Å
209P97.7Very high92.8Very high70 Ų7065.9 Ų65.946%0.45536%0.358SS..  trans-54.1139.4175-24.534.3000111.6L200 V201 E202L200-P209 HydrophobicContact CD1-CB 3.73Å; L200-P209 HydrophobicContact CG-CB 4.39Å; V201-P209 CarbonylContact O-C 3.56Å; V201-P209 VanDerWaalsContact O-CA 3.31Å; V201-P209 WeakPolarHBondContact O-CA 3.37Å; E202-P209 HydrophobicContact CG-CB 3.94Å; E202-P209 HydrophobicContact CG-CG 3.93Å
210V98.1Very high91Very high52 Ų5274.8 Ų74.832%0.31539%0.393SS..EExtended strand (participates in β ladder)trans-99130.7175168.90000108.2V125 L200 V201 L206 R208 V212V125-V210 HydrophobicContact CB-CG1 4.45Å; V125-V210 HydrophobicContact CG2-CG1 4.24Å; L200-V210 CarbonylContact C-O 3.48Å; L200-V210 WeakPolarHBondContact CA-O 3.45Å; V201-V210 PolarHBondContact N-O 3.47Å; V201-V210 PolarHBondContact O-N 2.89Å; L206-V210 HydrophobicContact CD1-CB 4.18Å; L206-V210 HydrophobicContact CD1-CG2 3.8Å; L206-V210 HydrophobicContact CD2-CG2 3.82Å; L206-V210 HydrophobicContact CG-CG2 4.4Å; R208-V210 PolarHBondContact O-N 2.78Å; V210-V212 HydrophobicContact CG1-CG2 4.15Å
211S97.6Very high88.9Confident73 Ų7375.6 Ų75.651%0.5140%0.401SS..EExtended strand (participates in β ladder)trans-121.1118.3176.4-175.40000109.6C199C199-S211 WeakPolarHBondContact O-CA 3.16Å
212V98.1Very high87.2Confident42 Ų4283.5 Ų83.526%0.25543%0.431SS..EExtended strand (participates in β ladder)trans-107.1122175.8-1790000108.7V125 V127 S198 C199 V210V125-V212 HydrophobicContact CB-CG2 3.87Å; V125-V212 HydrophobicContact CG1-CB 4.17Å; V125-V212 HydrophobicContact CG1-CG2 3.62Å; V127-V212 HydrophobicContact CB-CG1 3.99Å; V127-V212 HydrophobicContact CG2-CB 3.85Å; V127-V212 HydrophobicContact CG2-CG1 3.73Å; S198-V212 WeakPolarHBondContact CA-O 3.28Å; C199-V212 PolarHBondContact N-O 3.4Å; C199-V212 PolarHBondContact O-N 2.75Å; V210-V212 HydrophobicContact CG1-CG2 4.15Å
213A96.7Very high85.5Confident63 Ų6385.7 Ų85.752%0.52144%0.442SS..EExtended strand (participates in β ladder)trans-98.7142.7-177.100000112V196 Y197V196-A213 HydrophobicContact CG1-CB 4.31Å; Y197-A213 CarbonylContact O-C 3.55Å; Y197-A213 VanDerWaalsContact O-CA 3.26Å; Y197-A213 WeakPolarHBondContact O-CA 3.44Å
214W95.6Very high84Confident39 Ų3992.9 Ų92.915%0.14847%0.473CS..EExtended strand (participates in β ladder)trans-126.3130.9169.2-179.491.2000109V127 P133 L141 M189 P191 Y197 A216V127-W214 HydrophobicContact CG1-CB 3.63Å; V127-W214 HydrophobicContact CG1-CG 4.31Å; P133-W214 HydrophobicContact CB-CH2 4.14Å; P133-W214 HydrophobicContact CB-CZ2 3.98Å; P133-W214 HydrophobicContact CG-CZ2 3.96Å; L141-W214 HydrophobicContact CD1-CB 4.33Å; L141-W214 HydrophobicContact CD1-CD2 3.71Å; L141-W214 HydrophobicContact CD1-CE3 4Å; L141-W214 HydrophobicContact CD1-CG 3.83Å; L141-W214 HydrophobicContact CD2-CB 4.23Å; L141-W214 HydrophobicContact CD2-CD2 4.34Å; L141-W214 HydrophobicContact CD2-CE3 4.03Å; L141-W214 HydrophobicContact CD2-CG 4.43Å; M189-W214 HydrophobicContact CE-CH2 3.87Å; M189-W214 HydrophobicContact CE-CZ2 4.46Å; M189-W214 HydrophobicContact CE-CZ3 3.9Å; M189-W214 HydrophobicContact SD-CE3 4.5Å; M189-W214 HydrophobicContact SD-CH2 4.42Å; M189-W214 HydrophobicContact SD-CZ3 3.91Å; P191-W214 HydrophobicContact CB-CH2 4.24Å; P191-W214 HydrophobicContact CB-CZ3 4.35Å; Y197-W214 AromaticContact CD2-CE3 3.58Å; Y197-W214 HydrophobicContact CD2-CE3 3.58Å; Y197-W214 AromaticContact CD2-CZ3 3.69Å; Y197-W214 HydrophobicContact CD2-CZ3 3.69Å; Y197-W214 HydrophobicContact CE2-CE3 4.26Å; Y197-W214 AromaticContact CE2-CZ3 3.89Å; Y197-W214 HydrophobicContact CE2-CZ3 3.89Å; Y197-W214 HydrophobicContact CG-CE3 4.3Å; Y197-W214 PolarHBondContact N-O 3.37Å; Y197-W214 PolarHBondContact O-N 2.9Å; W214-A216 HydrophobicContact CH2-CB 4Å; W214-A216 HydrophobicContact CZ3-CB 3.82Å
215V93.7Very high82.6Confident57 Ų5793.2 Ų93.235%0.34547%0.469SS..EExtended strand (participates in β ladder)trans-110.7129.3-176.1-1760000109.2D195 V196 Q217D195-V215 WeakPolarHBondContact O-CA 3.26Å; V196-V215 HydrophobicContact CG1-CG2 4.39Å; V196-V215 HydrophobicContact CG2-CG1 4.46Å; V196-V215 HydrophobicContact CG2-CG2 4.2Å; V215-Q217 HydrophobicContact CB-CG 4.4Å; V215-Q217 HydrophobicContact CG1-CG 4.14Å; V215-Q217 PolarHBondContact O-N 3.1Å
216A90.2Very high81.7Confident2 Ų297.3 Ų97.32%0.01749%0.485CS..  trans-69.8101.6171.700000109.8P191 E192 G194 D195 W214P191-A216 HydrophobicContact CB-CB 3.81Å; E192-A216 WeakPolarHBondContact O-CB 3.19Å; G194-A216 PolarHBondContact N-O 2.7Å; D195-A216 HydrophobicContact CB-CB 3.99Å; D195-A216 PolarHBondContact O-N 2.77Å; W214-A216 HydrophobicContact CH2-CB 4Å; W214-A216 HydrophobicContact CZ3-CB 3.82Å
217Q82.1Confident80.9Confident141 Ų14199.7 Ų99.766%0.65950%0.504SS*.  trans-106.7151.2175.8-62.5179.510.900109.9V215V215-Q217 HydrophobicContact CB-CG 4.4Å; V215-Q217 HydrophobicContact CG1-CG 4.14Å; V215-Q217 PolarHBondContact O-N 3.1Å
218S63.5Low80.2Confident48 Ų4892.6 Ų92.634%0.33648%0.477SS..  trans-73.5150166620000109.6Y220S218-Y220 PolarHBondContact O-N 2.75Å
219E59.6Low79.7Confident146 Ų14685.2 Ų85.268%0.68246%0.459SS*.SBendtrans-56.2-14.2168.9-87.7-169.4147.200113.1S221E219-S221 PolarHBondContact O-N 3.13Å
220Y58.9Low79.1Confident187 Ų18784.2 Ų84.273%0.73346%0.457SS*.  trans-7672.6175.1-97.1-109.1000111.1S218 W222 I225S218-Y220 PolarHBondContact O-N 2.75Å; Y220-W222 PolarHBondContact O-N 3.39Å; Y220-I225 HydrophobicContact CD1-CD1 3.47Å; Y220-I225 VanDerWaalsContact CD1-CD1 3.47Å; Y220-I225 HydrophobicContact CE1-CD1 3.76Å
221S56.1Low78.7Confident46 Ų4684.7 Ų84.732%0.32247%0.466SS..  trans-66110.5165.1175.80000109.2E219 E223 K224 I225E219-S221 PolarHBondContact O-N 3.13Å; S221-E223 PolarHBondContact O-N 3.4Å; S221-E223 VanDerWaalsContact O-N 3.11Å; S221-K224 PolarHBondContact O-N 3.36Å; S221-I225 PolarHBondContact O-N 2.9Å
222W62.9Low78.4Confident166 Ų16687.9 Ų87.963%0.62947%0.471SS*.Hα-helixtrans-53-28.8174.169.2-87.3000112.2Y220 I225 L226Y220-W222 PolarHBondContact O-N 3.39Å; W222-I225 PolarHBondContact O-N 3.32Å; W222-L226 HydrophobicContact CE3-CD1 4.1Å; W222-L226 HydrophobicContact CZ3-CD1 4.44Å; W222-L226 HydrophobicContact CZ3-CD2 4.18Å; W222-L226 PolarHBondContact O-N 2.9Å
223E62.9Low78.2Confident121 Ų12191.1 Ų91.157%0.56549%0.487SS*.Hα-helixtrans-64.8-38.7176.6-63.5-150.8161.100112.6S221 I225 L226 S227S221-E223 PolarHBondContact O-N 3.4Å; S221-E223 VanDerWaalsContact O-N 3.11Å; E223-I225 VanDerWaalsContact C-N 3.34Å; E223-L226 PolarHBondContact O-N 3.13Å; E223-S227 WeakPolarHBondContact O-CB 3.04Å; E223-S227 PolarHBondContact O-N 2.83Å
224K66.6Low78.1Confident163 Ų16393.8 Ų93.871%0.70949%0.492SS*.Hα-helixtrans-69-34.6176.4-67.7-176177.9175.30111.7S221 G228S221-K224 PolarHBondContact O-N 3.36Å; K224-G228 PolarHBondContact O-N 2.77Å
225I68Low78Confident88 Ų8893.9 Ų93.945%0.45150%0.504SS..Hα-helixtrans-71.9-41.9176.3-60.4172.5000110.7Y220 S221 W222 E223 S227 G228 A229Y220-I225 HydrophobicContact CD1-CD1 3.47Å; Y220-I225 VanDerWaalsContact CD1-CD1 3.47Å; Y220-I225 HydrophobicContact CE1-CD1 3.76Å; S221-I225 PolarHBondContact O-N 2.9Å; W222-I225 PolarHBondContact O-N 3.32Å; E223-I225 VanDerWaalsContact C-N 3.34Å; I225-S227 VanDerWaalsContact C-N 3.32Å; I225-S227 PolarHBondContact O-N 2.83Å; I225-G228 PolarHBondContact O-N 2.77Å; I225-A229 VanDerWaalsContact O-CB 3.31Å; I225-A229 WeakPolarHBondContact O-CB 3.41Å; I225-A229 PolarHBondContact O-N 3.05Å
226L76.5Confident78Confident111 Ų11194.6 Ų94.658%0.58151%0.506SS*.Hα-helixtrans-62.1-42.4177-124.487.8000111.2W222 E223 A229 A230W222-L226 HydrophobicContact CE3-CD1 4.1Å; W222-L226 HydrophobicContact CZ3-CD1 4.44Å; W222-L226 HydrophobicContact CZ3-CD2 4.18Å; W222-L226 PolarHBondContact O-N 2.9Å; E223-L226 PolarHBondContact O-N 3.13Å; L226-A229 PolarHBondContact O-N 2.86Å; L226-A230 VanDerWaalsContact O-CB 3.27Å; L226-A230 WeakPolarHBondContact O-CB 3.46Å; L226-A230 PolarHBondContact O-N 2.92Å
227S80.9Confident78.2Confident85 Ų8598.2 Ų98.259%0.59453%0.528SS*.Hα-helixtrans-62.6-43174.4-1760000112E223 I225 A231E223-S227 WeakPolarHBondContact O-CB 3.04Å; E223-S227 PolarHBondContact O-N 2.83Å; I225-S227 VanDerWaalsContact C-N 3.32Å; I225-S227 PolarHBondContact O-N 2.83Å; S227-A231 WeakPolarHBondContact O-CB 3.38Å; S227-A231 PolarHBondContact O-N 2.72Å; S227-A231 VanDerWaalsContact O-N 3.1Å
228G82.4Confident78.7Confident41 Ų4196.5 Ų96.542%0.42353%0.527SS..Hα-helixtrans-65.9-43.5177.300000113K224 I225 A231 F232K224-G228 PolarHBondContact O-N 2.77Å; I225-G228 PolarHBondContact O-N 2.77Å; G228-A231 PolarHBondContact O-N 3.32Å; G228-F232 WeakPolarHBondContact O-CB 3.45Å; G228-F232 PolarHBondContact O-N 3.38Å
229A85.7Confident80.2Confident48 Ų48101.3 Ų101.340%0.39754%0.542SS..Hα-helixtrans-67.1-40.9178.600000112I225 L226 F232 L233I225-A229 VanDerWaalsContact O-CB 3.31Å; I225-A229 WeakPolarHBondContact O-CB 3.41Å; I225-A229 PolarHBondContact O-N 3.05Å; L226-A229 PolarHBondContact O-N 2.86Å; A229-F232 PolarHBondContact O-N 2.97Å; A229-L233 WeakPolarHBondContact O-CB 3.32Å; A229-L233 VanDerWaalsContact O-CG 3.3Å; A229-L233 WeakPolarHBondContact O-CG 3.43Å; A229-L233 PolarHBondContact O-N 3.34Å
230A86.1Confident81.8Confident49 Ų4999.6 Ų99.641%0.40554%0.537SS..Hα-helixtrans-62.1-44.4174.800000111.6L226 F232 L233 L234L226-A230 VanDerWaalsContact O-CB 3.27Å; L226-A230 WeakPolarHBondContact O-CB 3.46Å; L226-A230 PolarHBondContact O-N 2.92Å; A230-F232 PolarHBondContact O-N 3.23Å; A230-L233 PolarHBondContact O-N 3.5Å; A230-L234 WeakPolarHBondContact O-CB 3.46Å; A230-L234 VanDerWaalsContact O-CG 3.31Å; A230-L234 WeakPolarHBondContact O-CG 3.34Å; A230-L234 PolarHBondContact O-N 3Å
231A88.3Confident83.5Confident62 Ų6295 Ų9551%0.51253%0.528SS..Hα-helixtrans-63.7-40.4176.200000112.3S227 G228 L234 G235S227-A231 WeakPolarHBondContact O-CB 3.38Å; S227-A231 PolarHBondContact O-N 2.72Å; S227-A231 VanDerWaalsContact O-N 3.1Å; G228-A231 PolarHBondContact O-N 3.32Å; A231-L234 PolarHBondContact O-N 2.8Å; A231-G235 PolarHBondContact O-N 3.49Å
232F91.8Very high85.1Confident140 Ų14094.6 Ų94.661%0.61453%0.531SS*.Hα-helixtrans-66.2-42.8177.5-173.4-104.6000112.4G228 A229 A230 G235 L236G228-F232 WeakPolarHBondContact O-CB 3.45Å; G228-F232 PolarHBondContact O-N 3.38Å; A229-F232 PolarHBondContact O-N 2.97Å; A230-F232 PolarHBondContact O-N 3.23Å; F232-G235 PolarHBondContact O-N 3.4Å; F232-L236 HydrophobicContact CD1-CD1 3.81Å; F232-L236 HydrophobicContact CD1-CG 4.44Å; F232-L236 HydrophobicContact CE1-CD1 3.39Å; F232-L236 HydrophobicContact CE1-CG 4.1Å; F232-L236 HydrophobicContact CZ-CD1 4.01Å; F232-L236 HydrophobicContact CZ-CG 4.31Å; F232-L236 PolarHBondContact O-N 3.13Å
233L93.9Very high86.4Confident111 Ų11188.4 Ų88.458%0.58152%0.515SS*.Hα-helixtrans-63.4-44.3176-73.3171.3000111.6A229 A230 G235 L236 T237A229-L233 WeakPolarHBondContact O-CB 3.32Å; A229-L233 VanDerWaalsContact O-CG 3.3Å; A229-L233 WeakPolarHBondContact O-CG 3.43Å; A229-L233 PolarHBondContact O-N 3.34Å; A230-L233 PolarHBondContact O-N 3.5Å; L233-G235 VanDerWaalsContact C-N 3.33Å; L233-G235 PolarHBondContact O-N 3.38Å; L233-L236 PolarHBondContact O-N 3.39Å; L233-T237 WeakPolarHBondContact O-CG2 3.49Å; L233-T237 PolarHBondContact O-N 3.29Å
234L94.3Very high87.7Confident119 Ų11986.4 Ų86.462%0.62351%0.511SS*.Hα-helixtrans-59-45.4173.9-73170000111.1A230 A231 L236 T237 V238A230-L234 WeakPolarHBondContact O-CB 3.46Å; A230-L234 VanDerWaalsContact O-CG 3.31Å; A230-L234 WeakPolarHBondContact O-CG 3.34Å; A230-L234 PolarHBondContact O-N 3Å; A231-L234 PolarHBondContact O-N 2.8Å; L234-L236 PolarHBondContact O-N 2.97Å; L234-T237 PolarHBondContact O-N 3.34Å; L234-T237 PolarHBondContact O-OG1 2.82Å; L234-V238 WeakPolarHBondContact O-CG2 3.29Å; L234-V238 PolarHBondContact O-N 3.03Å; L234-V238 VanDerWaalsContact O-N 3.14Å
235G92.8Very high88.8Confident40 Ų4083.9 Ų83.941%0.41250%0.504SS..Hα-helixtrans-58.1-44.6175.200000113.5A231 F232 L233 T237 V238 F239A231-G235 PolarHBondContact O-N 3.49Å; F232-G235 PolarHBondContact O-N 3.4Å; L233-G235 VanDerWaalsContact C-N 3.33Å; L233-G235 PolarHBondContact O-N 3.38Å; G235-T237 PolarHBondContact O-N 2.83Å; G235-V238 PolarHBondContact O-N 2.87Å; G235-F239 WeakPolarHBondContact O-CB 3.21Å; G235-F239 PolarHBondContact O-N 3.48Å
236L95.5Very high89.6Confident72 Ų7285.1 Ų85.138%0.37751%0.508SS..Hα-helixtrans-62.4-40.9176.9-81.5172.2000112.5F232 L233 L234 F239 L240F232-L236 HydrophobicContact CD1-CD1 3.81Å; F232-L236 HydrophobicContact CD1-CG 4.44Å; F232-L236 HydrophobicContact CE1-CD1 3.39Å; F232-L236 HydrophobicContact CE1-CG 4.1Å; F232-L236 HydrophobicContact CZ-CD1 4.01Å; F232-L236 HydrophobicContact CZ-CG 4.31Å; F232-L236 PolarHBondContact O-N 3.13Å; L233-L236 PolarHBondContact O-N 3.39Å; L234-L236 PolarHBondContact O-N 2.97Å; L236-F239 PolarHBondContact O-N 3.34Å; L236-L240 WeakPolarHBondContact O-CB 3.44Å; L236-L240 VanDerWaalsContact O-CG 3.3Å; L236-L240 WeakPolarHBondContact O-CG 3.18Å; L236-L240 PolarHBondContact O-N 2.87Å
237T93.4Very high90.1Very high78 Ų7884.9 Ų84.948%0.47951%0.507SS..Hα-helixtrans-63.8-43.9177.661.10000112.2L233 L234 G235 F239 L240 V241L233-T237 WeakPolarHBondContact O-CG2 3.49Å; L233-T237 PolarHBondContact O-N 3.29Å; L234-T237 PolarHBondContact O-N 3.34Å; L234-T237 PolarHBondContact O-OG1 2.82Å; G235-T237 PolarHBondContact O-N 2.83Å; T237-F239 VanDerWaalsContact C-N 3.34Å; T237-F239 PolarHBondContact O-N 2.83Å; T237-L240 PolarHBondContact O-N 3.01Å; T237-V241 VanDerWaalsContact O-CG2 3.28Å; T237-V241 WeakPolarHBondContact O-CG2 3.35Å; T237-V241 PolarHBondContact O-N 3.38Å
238V93.3Very high90Very high105 Ų10588 Ų8864%0.63651%0.51SS*.Hα-helixtrans-63.7-42.1177.1174.70000110.7L234 G235 V241 G242L234-V238 WeakPolarHBondContact O-CG2 3.29Å; L234-V238 PolarHBondContact O-N 3.03Å; L234-V238 VanDerWaalsContact O-N 3.14Å; G235-V238 PolarHBondContact O-N 2.87Å; V238-V241 PolarHBondContact O-N 3.4Å; V238-G242 PolarHBondContact O-N 2.85Å
239F93.9Very high89.7Confident150 Ų15088.8 Ų88.866%0.65851%0.512SS*.Hα-helixtrans-63.4-46.2177.7-177.2-98.8000112.3G235 L236 T237 G242 A243G235-F239 WeakPolarHBondContact O-CB 3.21Å; G235-F239 PolarHBondContact O-N 3.48Å; L236-F239 PolarHBondContact O-N 3.34Å; T237-F239 VanDerWaalsContact C-N 3.34Å; T237-F239 PolarHBondContact O-N 2.83Å; F239-G242 PolarHBondContact O-N 3.25Å; F239-A243 WeakPolarHBondContact O-CB 3.11Å; F239-A243 PolarHBondContact O-N 2.85Å
240L93.9Very high89.1Confident110 Ų11091.2 Ų91.258%0.57652%0.515SS*.Hα-helixtrans-63-43.4178.3-73.9170.7000111.8L236 T237 A243 V244L236-L240 WeakPolarHBondContact O-CB 3.44Å; L236-L240 VanDerWaalsContact O-CG 3.3Å; L236-L240 WeakPolarHBondContact O-CG 3.18Å; L236-L240 PolarHBondContact O-N 2.87Å; T237-L240 PolarHBondContact O-N 3.01Å; L240-A243 PolarHBondContact O-N 2.86Å; L240-V244 WeakPolarHBondContact O-CG2 3.45Å; L240-V244 PolarHBondContact O-N 3.15Å
241V93.8Very high88Confident90 Ų9096.6 Ų96.655%0.54553%0.529SS..Hα-helixtrans-62.7-45175.6172.70000110.6T237 V238 A243 V244 I245T237-V241 VanDerWaalsContact O-CG2 3.28Å; T237-V241 WeakPolarHBondContact O-CG2 3.35Å; T237-V241 PolarHBondContact O-N 3.38Å; V238-V241 PolarHBondContact O-N 3.4Å; V241-A243 PolarHBondContact O-N 2.95Å; V241-V244 PolarHBondContact O-N 2.99Å; V241-I245 HydrophobicContact CG1-CD1 3.86Å; V241-I245 VanDerWaalsContact O-CG1 3.32Å; V241-I245 WeakPolarHBondContact O-CG1 3.3Å; V241-I245 PolarHBondContact O-N 2.73Å
242G90.2Very high86.5Confident37 Ų3796.5 Ų96.538%0.38153%0.529SS..Hα-helixtrans-59-43.8175.500000112.9V238 F239 I245 H246V238-G242 PolarHBondContact O-N 2.85Å; F239-G242 PolarHBondContact O-N 3.25Å; G242-I245 PolarHBondContact O-N 2.62Å; G242-H246 WeakPolarHBondContact O-CB 3.5Å; G242-H246 PolarHBondContact O-N 3.06Å
243A90.9Very high84.6Confident36 Ų3693.7 Ų93.730%0.29853%0.526SS..Hα-helixtrans-63.9-41.7177.300000112.2F239 L240 V241 H246 L247F239-A243 WeakPolarHBondContact O-CB 3.11Å; F239-A243 PolarHBondContact O-N 2.85Å; L240-A243 PolarHBondContact O-N 2.86Å; V241-A243 PolarHBondContact O-N 2.95Å; A243-H246 PolarHBondContact O-N 2.63Å; A243-L247 WeakPolarHBondContact O-CB 3.31Å; A243-L247 VanDerWaalsContact O-CG 3.23Å; A243-L247 WeakPolarHBondContact O-CG 3.4Å; A243-L247 PolarHBondContact O-N 2.95Å
244V89.8Confident82.5Confident80 Ų8094.4 Ų94.449%0.48554%0.535SS..Hα-helixtrans-63.9-42.6176.1171.50000111.3L240 V241 L247 K248L240-V244 WeakPolarHBondContact O-CG2 3.45Å; L240-V244 PolarHBondContact O-N 3.15Å; V241-V244 PolarHBondContact O-N 2.99Å; V244-L247 PolarHBondContact O-N 3.11Å; V244-K248 WeakPolarHBondContact O-CB 3.06Å; V244-K248 WeakPolarHBondContact O-CG 3.18Å; V244-K248 PolarHBondContact O-N 2.88Å
245I88.7Confident80.3Confident109 Ų10997 Ų9756%0.55954%0.543SS*.Hα-helixtrans-63.1-44.7176.5-66.9167.7000110.3V241 G242 K248 A249V241-I245 HydrophobicContact CG1-CD1 3.86Å; V241-I245 VanDerWaalsContact O-CG1 3.32Å; V241-I245 WeakPolarHBondContact O-CG1 3.3Å; V241-I245 PolarHBondContact O-N 2.73Å; G242-I245 PolarHBondContact O-N 2.62Å; I245-K248 PolarHBondContact O-N 2.76Å; I245-A249 WeakPolarHBondContact O-CB 3.31Å; I245-A249 PolarHBondContact O-N 3.28Å
246H86.1Confident78.1Confident114 Ų114100.4 Ų100.453%0.52856%0.557SS.*Hα-helixtrans-64-43178.3-174.2-88.5000112.5G242 A243 K248 A249 Q250G242-H246 WeakPolarHBondContact O-CB 3.5Å; G242-H246 PolarHBondContact O-N 3.06Å; A243-H246 PolarHBondContact O-N 2.63Å; H246-K248 VanDerWaalsContact C-N 3.33Å; H246-K248 PolarHBondContact O-N 3.26Å; H246-A249 PolarHBondContact O-N 2.74Å; H246-Q250 PolarHBondContact CE1-NE2 3.24Å; H246-Q250 VanDerWaalsContact CE1-NE2 3.32Å; H246-Q250 PolarHBondContact O-N 2.96Å
247L85.6Confident75.6Confident107 Ų107105.7 Ų105.756%0.5658%0.58SS**Hα-helixtrans-65.3-35.8176.1-72169.9000112.1A243 V244 K251A243-L247 WeakPolarHBondContact O-CB 3.31Å; A243-L247 VanDerWaalsContact O-CG 3.23Å; A243-L247 WeakPolarHBondContact O-CG 3.4Å; A243-L247 PolarHBondContact O-N 2.95Å; V244-L247 PolarHBondContact O-N 3.11Å; L247-K251 PolarHBondContact O-N 2.72Å; L247-K251 VanDerWaalsContact O-N 3.1Å
248K80.2Confident73Confident151 Ų151107.9 Ų107.966%0.65760%0.595SS**Hα-helixtrans-67.5-39.3171.8-77.2-172.4176.5-173.30112.1V244 I245 H246 K251 A252V244-K248 WeakPolarHBondContact O-CB 3.06Å; V244-K248 WeakPolarHBondContact O-CG 3.18Å; V244-K248 PolarHBondContact O-N 2.88Å; I245-K248 PolarHBondContact O-N 2.76Å; H246-K248 VanDerWaalsContact C-N 3.33Å; H246-K248 PolarHBondContact O-N 3.26Å; K248-K251 PolarHBondContact O-N 2.75Å; K248-A252 PolarHBondContact O-N 2.94Å
249A75.8Confident70.5Confident56 Ų56105.9 Ų105.946%0.46360%0.596SS.*Hα-helixtrans-65.6-40.4175.700000112.1I245 H246 K251 A252 S253I245-A249 WeakPolarHBondContact O-CB 3.31Å; I245-A249 PolarHBondContact O-N 3.28Å; H246-A249 PolarHBondContact O-N 2.74Å; A249-K251 PolarHBondContact O-N 2.7Å; A249-A252 PolarHBondContact O-N 2.8Å; A249-S253 PolarHBondContact O-N 3.05Å; A249-S253 PolarHBondContact O-OG 2.79Å
250Q72.5Confident67.6Low99 Ų99107.1 Ų107.146%0.46361%0.609SS.*Hα-helixtrans-63.6-39.2174.3-77.7-168.4-28.400112.5H246 S253 V254H246-Q250 PolarHBondContact CE1-NE2 3.24Å; H246-Q250 VanDerWaalsContact CE1-NE2 3.32Å; H246-Q250 PolarHBondContact O-N 2.96Å; Q250-S253 WeakPolarHBondContact CA-OG 3.44Å; Q250-S253 PolarHBondContact O-N 2.94Å; Q250-S253 PolarHBondContact O-OG 3.04Å; Q250-V254 WeakPolarHBondContact O-CG2 3.19Å; Q250-V254 PolarHBondContact O-N 3.09Å; Q250-V254 VanDerWaalsContact O-N 3.15Å
251K64.3Low65Low163 Ų163110.4 Ų110.471%0.70962%0.621SS**Hα-helixtrans-63-39.9172.4-86.9-176.2173-176.30112.4L247 K248 A249 S253 V254 E255L247-K251 PolarHBondContact O-N 2.72Å; L247-K251 VanDerWaalsContact O-N 3.1Å; K248-K251 PolarHBondContact O-N 2.75Å; A249-K251 PolarHBondContact O-N 2.7Å; K251-S253 PolarHBondContact O-N 2.71Å; K251-V254 PolarHBondContact O-N 3.07Å; K251-E255 PolarHBondContact O-N 3.24Å
252A55.8Low62.4Low60 Ų60110.4 Ų110.450%0.49663%0.631SS.*Hα-helixtrans-67-32.7176.700000113.3K248 A249 T256K248-A252 PolarHBondContact O-N 2.94Å; A249-A252 PolarHBondContact O-N 2.8Å; A252-T256 PolarHBondContact O-OG1 3.41Å
253S51.8Low59.8Low81 Ų81115 Ų11557%0.56666%0.657SS**Hα-helixtrans-76.5-23.4175.250.30000114.4A249 Q250 K251A249-S253 PolarHBondContact O-N 3.05Å; A249-S253 PolarHBondContact O-OG 2.79Å; Q250-S253 WeakPolarHBondContact CA-OG 3.44Å; Q250-S253 PolarHBondContact O-N 2.94Å; Q250-S253 PolarHBondContact O-OG 3.04Å; K251-S253 PolarHBondContact O-N 2.71Å
254V51Low57.4Low125 Ų125125.3 Ų125.376%0.75869%0.688SS**Hα-helixtrans-78.7-23.6174.6171.70000111.7Q250 K251Q250-V254 WeakPolarHBondContact O-CG2 3.19Å; Q250-V254 PolarHBondContact O-N 3.09Å; Q250-V254 VanDerWaalsContact O-N 3.15Å; K251-V254 PolarHBondContact O-N 3.07Å
255E47.4Very low54.8Low173 Ų173125.8 Ų125.881%0.80870%0.701SS**SBendtrans-85.8-1.3178.7-150.5103.8-155.100113.9K251K251-E255 PolarHBondContact O-N 3.24Å
256T46.2Very low52.5Low112 Ų112129 Ų12969%0.68772%0.718SS**  trans-112.272.8178.3-430000111.4A252A252-T256 PolarHBondContact O-OG1 3.41Å
257Q42.8Very low50.5Low184 Ų184131.5 Ų131.586%0.8673%0.734SS**  trans-137.1100.8160.4-157.3-178.81.400108.9
258P39.7Very low48.7Very low124 Ų124131.9 Ų131.981%0.80574%0.743SS**  trans-92.9112.816929.8-19.7000109.4
259G39.9Very low47.7Very low63 Ų63129.7 Ų129.765%0.64975%0.745SS**  trans-83.3137.9153.900000109.4
260N33.4Very low45.8Very low175 Ų175135.3 Ų135.394%0.93676%0.761SS**  trans-164.8149.5135.1-104.3-9.1000113.4
261E38.3Very low45.1Very low179 Ų179135 Ų13584%0.83677%0.767SS**  trans-101.7151.7-157.3-153.2170.5175.800111.5
262A40Very low44.1Very low90 Ų90141.7 Ų141.774%0.74479%0.79SS**  trans42.7128.2150.400000121.6
263S34.7Very low43.5Very low133 Ų133145.8 Ų145.893%0.9381%0.805SS**  trans-141.2119.7145.9-76.90000110
264R40.5Very low43.1Very low254 Ų254149.2 Ų149.296%0.95882%0.818SS**  trans-124.8120.3175.5-144.7-172.2-150.91564.9107.2
265A35.7Very low42.7Very low90 Ų90150.5 Ų150.574%0.74482%0.821SS**  trans-155.8102.716000000106.2
266L40.3Very low42.4Very low176 Ų176149.2 Ų149.292%0.92182%0.822SS**  75.3113.797.2-83.4163.1000113.5
267L44.9Very low42.1Very low166 Ų166151.5 Ų151.587%0.86983%0.83SS**  trans-66.4159.2173.3-76.4150000113.2
268P48.3Very low42.1Very low115 Ų115149.3 Ų149.375%0.74783%0.828SS**  trans-110.5169.1144.334.8-22.1000112.4
269P57.8Low42.3Very low106 Ų106151.1 Ų151.169%0.68883%0.83SS**  trans-109.2-178.5-156.138.9-29.4000115.5
270H36.5Very low42.4Very low174 Ų174157.9 Ų157.981%0.80684%0.843SS**  trans106.7161.7154.9-71.3-53.8000118.4
271P57.6Low43.2Very low92 Ų92156.5 Ų156.560%0.59784%0.836SS**  -135.8175.4-62.436.8-18.2000113
272Y43.8Very low43.6Very low303 Ų303154.5 Ų154.5100%1.18884%0.836SS**  trans76.80172.7-64.6-74.8000118.6

Retrieved 272 of 272 residues in 330.1 ms (Link to these results)