A0A087WPI2_MOUSE Loading...

Amyloid beta precursor protein binding family B member 1

AlphaFold DB , UniProt , Accession A0A087WPI2, Species MOUSE (Mus musculus, Mouse), Gene Apbb1, Length 487 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
1M27.2Very low35.5Very low229 Ų22997.5 Ų97.5100%1.12850%0.497SS*.  040.10-139.3166.6-178.500111
2F28.8Very low35.5Very low170 Ų17099.5 Ų99.575%0.74651%0.509SS*.  trans-136.824.6-173.1-72.8-73.4000112.3F6F2-F6 HydrophobicContact CB-CE2 4.37Å; F2-F6 HydrophobicContact CD1-CE2 4.32Å; F2-F6 WeakPolarHBondContact O-CD2 3.28Å
3S36.5Very low35.7Very low66 Ų66102.5 Ų102.546%0.46252%0.519SS..SBendtrans-104.2-9.9-171.2-171.10000114.1
4Q32.4Very low35.3Very low111 Ų111104.1 Ų104.152%0.51953%0.53SS..SBendtrans-99.1-40.7-175.1-91175.5-62.700112.8F7Q4-F7 PolarHBondContact O-N 3.12Å
5D33.5Very low35.2Very low125 Ų125107.5 Ų107.567%0.66855%0.55SS**THydrogen-bonded Turntrans-77.2-26.8-170.5-55.8-42.2000113.8
6F40.3Very low34.8Very low76 Ų76104.1 Ų104.133%0.33354%0.539SS..THydrogen-bonded Turntrans-79.9-19.1176.8-62.9-75.6000113.2F2 A9 P333 V334F2-F6 HydrophobicContact CB-CE2 4.37Å; F2-F6 HydrophobicContact CD1-CE2 4.32Å; F2-F6 WeakPolarHBondContact O-CD2 3.28Å; F6-A9 PolarHBondContact O-N 3.09Å; F6-P333 HydrophobicContact CD1-CB 4.34Å; F6-P333 HydrophobicContact CD1-CG 4.22Å; F6-P333 HydrophobicContact CE1-CB 4.11Å; F6-P333 HydrophobicContact CE1-CG 3.61Å; F6-P333 HydrophobicContact CZ-CG 4.42Å; F6-V334 HydrophobicContact CD1-CG1 4.5Å
7F37.6Very low34.7Very low26 Ų26105.8 Ų105.811%0.11456%0.558CS.*Hα-helixtrans-75.6-29.4-177.1-137.2-78.9000112.6Q4 A9 C431 Y435Q4-F7 PolarHBondContact O-N 3.12Å; F7-A9 VanDerWaalsContact C-N 3.29Å; F7-A9 PolarHBondContact O-N 3.29Å; F7-C431 HydrophobicContact CZ-CB 4.16Å; F7-C431 VanDerWaalsContact CZ-O 3.27Å; F7-C431 WeakPolarHBondContact CZ-O 3.18Å; F7-Y435 HydrophobicContact CB-CD2 4.21Å; F7-Y435 HydrophobicContact CB-CE2 4.25Å; F7-Y435 HydrophobicContact CD1-CD1 4.25Å; F7-Y435 AromaticContact CD1-CD2 3.32Å; F7-Y435 HydrophobicContact CD1-CD2 3.32Å; F7-Y435 AromaticContact CD1-CE2 3.94Å; F7-Y435 HydrophobicContact CD1-CE2 3.94Å; F7-Y435 AromaticContact CD1-CG 3.51Å; F7-Y435 HydrophobicContact CD1-CG 3.51Å; F7-Y435 HydrophobicContact CD2-CD2 4.22Å; F7-Y435 HydrophobicContact CE1-CD1 4.32Å; F7-Y435 AromaticContact CE1-CD2 3.79Å; F7-Y435 HydrophobicContact CE1-CD2 3.79Å; F7-Y435 AromaticContact CE1-CG 3.54Å; F7-Y435 HydrophobicContact CE1-CG 3.54Å; F7-Y435 AromaticContact CG-CD2 3.6Å; F7-Y435 HydrophobicContact CG-CD2 3.6Å; F7-Y435 HydrophobicContact CG-CE2 4.13Å; F7-Y435 HydrophobicContact CG-CG 4.23Å; F7-Y435 HydrophobicContact CZ-CD2 4.39Å; F7-Y435 HydrophobicContact CZ-CG 4.23Å
8L36.1Very low34.7Very low102 Ų102107.3 Ų107.353%0.53457%0.566SS.*Hα-helixtrans-67.6-26.9173.5-96.9130.2000113I11 L12L8-I11 PolarHBondContact O-N 3.22Å; L8-L12 HydrophobicContact CD2-CD1 4.01Å
9A36.6Very low34.7Very low34 Ų34104 Ų10428%0.28155%0.553SS.*Hα-helixtrans-73.5-26.9-179.300000113.4F6 F7 I11 V334F6-A9 PolarHBondContact O-N 3.09Å; F7-A9 VanDerWaalsContact C-N 3.29Å; F7-A9 PolarHBondContact O-N 3.29Å; A9-I11 VanDerWaalsContact C-N 3.28Å; A9-V334 HydrophobicContact CB-CG1 4.25Å
10I43Very low34.7Very low32 Ų32107 Ų10716%0.16456%0.561CS.*Hα-helixtrans-74.8-20.9177.1-61.8176.4000111.3L389I10-L389 HydrophobicContact CG2-CD2 4.09Å
11I39Very low34.6Very low101 Ų101112 Ų11252%0.51857%0.573SS.*Hα-helixtrans-94.5-16.8-176.1-61.9-178.5000112.6L8 A9L8-I11 PolarHBondContact O-N 3.22Å; A9-I11 VanDerWaalsContact C-N 3.28Å
12L35.7Very low34.8Very low122 Ų122106.8 Ų106.864%0.63955%0.549SS*.SBendtrans-11611.2-163.5-73.2177.4000118L8L8-L12 HydrophobicContact CD2-CD1 4.01Å
13Q36.9Very low35.1Very low138 Ų138104.1 Ų104.165%0.64555%0.549SS*.  trans-132.267.3175.2-90.2178-30.600112.7N15Q13-N15 PolarHBondContact O-N 2.96Å
14D30.1Very low34.9Very low125 Ų125107.1 Ų107.167%0.66856%0.56SS**  trans-79.595.9152.2-172.521.2000107.5S16 S19D14-S16 PolarHBondContact O-N 3.02Å; D14-S16 VanDerWaalsContact O-N 3.1Å; D14-S19 PolarHBondContact OD2-OG 3.32Å
15N34.5Very low35.1Very low156 Ų156105.4 Ų105.483%0.83457%0.565SS**  trans-89.558.5-173.6-144.732.5000110.9Q13Q13-N15 PolarHBondContact O-N 2.96Å
16S28.4Very low35.1Very low53 Ų53109 Ų10937%0.37158%0.575SS.*  trans-100.5132163.3148.80000108.1D14 D18 S19D14-S16 PolarHBondContact O-N 3.02Å; D14-S16 VanDerWaalsContact O-N 3.1Å; S16-D18 PolarHBondContact O-N 3.44Å; S16-D18 PolarHBondContact OG-N 3.02Å; S16-S19 PolarHBondContact O-N 2.75Å
17P32.9Very low34.9Very low132 Ų132113.7 Ų113.786%0.85760%0.598SS**THydrogen-bonded Turntrans-68.74.3-178.128.6-33.2000114.6
18D35.7Very low35Very low133 Ų133118.6 Ų118.671%0.71163%0.63SS**THydrogen-bonded Turntrans-115.717.6177.7-71.4-36.6000114S16 F20S16-D18 PolarHBondContact O-N 3.44Å; S16-D18 PolarHBondContact OG-N 3.02Å; D18-F20 WeakPolarHBondContact O-CD2 3.21Å; D18-F20 PolarHBondContact O-N 3.15Å
19S33.5Very low35.4Very low45 Ų45117 Ų11732%0.31562%0.622SS.*  trans-91.988.8-175.9-65.70000113.7D14 S16 W21D14-S19 PolarHBondContact OD2-OG 3.32Å; S16-S19 PolarHBondContact O-N 2.75Å; S19-W21 VanDerWaalsContact C-N 3.26Å; S19-W21 PolarHBondContact O-N 2.69Å
20F35.7Very low36Very low164 Ų164120.5 Ų120.572%0.71964%0.644SS**  40.610.7120.3-85.4-85.9000123.7D18D18-F20 WeakPolarHBondContact O-CD2 3.21Å; D18-F20 PolarHBondContact O-N 3.15Å
21W31.7Very low36.7Very low213 Ų213125.2 Ų125.281%0.80767%0.67SS**  trans-133.793.9175.3-62.9100.9000111.7S19S19-W21 VanDerWaalsContact C-N 3.26Å; S19-W21 PolarHBondContact O-N 2.69Å
22N32.9Very low38.1Very low118 Ų118121.9 Ų121.963%0.63165%0.653SS**  trans-69.5125.4168.9-163.5-13.4000108.8N24 A25N22-N24 PolarHBondContact O-N 2.81Å; N22-A25 PolarHBondContact O-N 2.94Å
23P34.8Very low39.8Very low114 Ų114118.7 Ų118.774%0.7464%0.64SS**THydrogen-bonded Turntrans-61.8-1.8-176.6-22.933000115.9
24N32.7Very low41Very low129 Ų129116.9 Ų116.969%0.6965%0.648SS**THydrogen-bonded Turntrans-91.48.8-178.8-70.4-17.7000114.6N22 F26N22-N24 PolarHBondContact O-N 2.81Å; N24-F26 PolarHBondContact O-N 2.68Å; N24-F26 VanDerWaalsContact O-N 3.09Å
25A36.6Very low42.6Very low75 Ų75112.4 Ų112.462%0.6263%0.632SS**THydrogen-bonded Turntrans-74.610.2-179.200000115.5N22N22-A25 PolarHBondContact O-N 2.94Å
26F33.1Very low44.4Very low202 Ų202107.7 Ų107.789%0.88660%0.602SS**THydrogen-bonded Turntrans-105.429.9177.6-81.3-79000113.7N24N24-F26 PolarHBondContact O-N 2.68Å; N24-F26 VanDerWaalsContact O-N 3.09Å
27E35.3Very low46.7Very low174 Ų174108.7 Ų108.781%0.81360%0.602SS**SBendtrans-84.6111.5154.4-76-173.5162.300108.3D29E27-D29 VanDerWaalsContact C-N 3.35Å; E27-D29 PolarHBondContact O-N 3.32Å
28T39.5Very low48.9Very low129 Ų129107.3 Ų107.379%0.79158%0.58SS**  trans-52.395.6168.5160000109.9S30T28-S30 VanDerWaalsContact C-N 3.31Å; T28-S30 PolarHBondContact O-N 2.91Å; T28-S30 PolarHBondContact O-OG 2.72Å
29D45.4Very low50.8Low69 Ų69102.4 Ų102.437%0.36956%0.555SS.*  trans-68.993.1174.3-133.3-17000107.4E27 D31 R38E27-D29 VanDerWaalsContact C-N 3.35Å; E27-D29 PolarHBondContact O-N 3.32Å; D29-D31 PolarHBondContact O-N 2.82Å; D29-D31 VanDerWaalsContact O-N 3.13Å; D29-R38 IonicContact OD1-CZ 3.63Å; D29-R38 IonicContact OD1-NH1 3.67Å; D29-R38 PolarHBondContact OD1-NH1 3.25Å; D29-R38 IonicContact OD1-NH2 2.64Å; D29-R38 PolarHBondContact OD1-NH2 2.84Å; D29-R38 IonicContact OD2-CZ 3.56Å; D29-R38 IonicContact OD2-NE 3.29Å; D29-R38 IonicContact OD2-NH1 3.37Å; D29-R38 PolarHBondContact OD2-NH1 2.88Å; D29-R38 IonicContact OD2-NH2 3.68Å; D29-R38 PolarHBondContact OD2-NH2 3.06Å
30S48.9Very low52.7Low106 Ų106107.6 Ų107.674%0.74157%0.574SS**THydrogen-bonded Turntrans-74.82.5-171.3-53.20000112.9T28T28-S30 VanDerWaalsContact C-N 3.31Å; T28-S30 PolarHBondContact O-N 2.91Å; T28-S30 PolarHBondContact O-OG 2.72Å
31D58Low54.2Low131 Ų131102.1 Ų102.170%0.70155%0.552SS**THydrogen-bonded Turntrans-110.63.5-166.4-64.2-19.8000113.5D29D29-D31 PolarHBondContact O-N 2.82Å; D29-D31 VanDerWaalsContact O-N 3.13Å
32L67.7Low55.6Low32 Ų3299.1 Ų99.117%0.16856%0.557CS.*SBendtrans-109138.1-179.6-65.2173.4000112.2W36 R38 Y47 P60L32-W36 HydrophobicContact CB-CB 4.31Å; L32-R38 HydrophobicContact CD1-CB 3.94Å; L32-Y47 HydrophobicContact CD1-CD1 4.23Å; L32-Y47 HydrophobicContact CD1-CE1 4.32Å; L32-Y47 HydrophobicContact CD2-CD1 3.77Å; L32-Y47 HydrophobicContact CD2-CE1 3.73Å; L32-P60 HydrophobicContact CD2-CG 3.86Å
33P70.8Confident56.9Low55 Ų5597.4 Ų97.436%0.35756%0.555SS.*  trans-59.9154.2174.2-19.831000112.2G35 W36 P60P33-G35 PolarHBondContact O-N 2.99Å; P33-W36 WeakPolarHBondContact O-CB 3.34Å; P33-W36 PolarHBondContact O-N 3.23Å; P33-W36 VanDerWaalsContact O-N 3.09Å; P33-P60 WeakPolarHBondContact CD-O 3.44Å; P33-P60 HydrophobicContact CG-CB 4.31Å
34A62.7Low58.5Low100 Ų10093.3 Ų93.383%0.82653%0.533SS*.THydrogen-bonded Turntrans-54.6130.5-17900000111.9
35G64.1Low60.8Low31 Ų3189.3 Ų89.332%0.3251%0.513SS..THydrogen-bonded Turntrans90.8-4.4-178.900000115P33 H49 I50 P51P33-G35 PolarHBondContact O-N 2.99Å; G35-H49 CarbonylContact O-C 3.55Å; G35-H49 WeakPolarHBondContact O-CA 3.31Å; G35-H49 PolarHBondContact O-CD2 2.99Å; G35-I50 PolarHBondContact O-N 2.73Å; G35-P51 WeakPolarHBondContact O-CD 3.5Å
36W72.9Confident62.7Low56 Ų5688.5 Ų88.521%0.21250%0.495CS..EExtended strand (participates in β ladder)trans-98.5141.3175.9-68.485.9000112.3L32 P33 H49 Q56 P60L32-W36 HydrophobicContact CB-CB 4.31Å; P33-W36 WeakPolarHBondContact O-CB 3.34Å; P33-W36 PolarHBondContact O-N 3.23Å; P33-W36 VanDerWaalsContact O-N 3.09Å; W36-H49 AromaticContact CD1-CD2 3.39Å; W36-H49 HydrophobicContact CD2-CB 3.78Å; W36-H49 AromaticContact CD2-CD2 3.65Å; W36-H49 AromaticContact CD2-CG 3.99Å; W36-H49 AromaticContact CE2-CD2 3.37Å; W36-H49 AromaticContact CE2-CG 3.67Å; W36-H49 HydrophobicContact CE3-CB 3.69Å; W36-H49 AromaticContact CG-CD2 3.72Å; W36-H49 HydrophobicContact CH2-CB 3.74Å; W36-H49 HydrophobicContact CZ2-CB 3.8Å; W36-H49 AromaticContact CZ2-CD2 4Å; W36-H49 AromaticContact CZ2-CG 3.86Å; W36-H49 HydrophobicContact CZ3-CB 3.68Å; W36-H49 AromaticContact NE1-CD2 3.16Å; W36-H49 PolarHBondContact NE1-CD2 2.96Å; W36-H49 AromaticContact NE1-CG 3.92Å; W36-H49 AromaticContact NE1-NE2 3.66Å; W36-Q56 HydrophobicContact CH2-CG 4.25Å; W36-Q56 HydrophobicContact CZ3-CG 3.78Å; W36-P60 HydrophobicContact CB-CG 3.77Å; W36-P60 HydrophobicContact CD2-CB 3.49Å; W36-P60 VanDerWaalsContact CD2-CB 3.49Å; W36-P60 HydrophobicContact CD2-CG 3.35Å; W36-P60 HydrophobicContact CE3-CB 3.81Å; W36-P60 HydrophobicContact CE3-CG 3.47Å; W36-P60 VanDerWaalsContact CE3-CG 3.47Å; W36-P60 HydrophobicContact CG-CB 3.9Å; W36-P60 HydrophobicContact CG-CG 3.51Å; W36-P60 HydrophobicContact CH2-CB 4.2Å; W36-P60 HydrophobicContact CZ2-CB 3.94Å; W36-P60 HydrophobicContact CZ3-CB 4.14Å; W36-P60 HydrophobicContact CZ3-CG 4.16Å
37M75.6Confident65Low74 Ų7480 Ų8037%0.36546%0.457SS..EExtended strand (participates in β ladder)trans-130.4132.5178.1-177164.467.400110V39 Y47 W48 I50M37-V39 HydrophobicContact CE-CG2 4.13Å; M37-V39 HydrophobicContact CG-CG2 4.35Å; M37-Y47 CarbonylContact O-C 3.56Å; M37-Y47 WeakPolarHBondContact O-CA 3.21Å; M37-W48 HydrophobicContact CE-CE3 3.35Å; M37-W48 HydrophobicContact CE-CZ3 3.62Å; M37-W48 PolarHBondContact N-O 2.9Å; M37-W48 PolarHBondContact O-N 2.87Å; M37-I50 HydrophobicContact CB-CD1 4.12Å; M37-I50 HydrophobicContact CB-CG1 4.42Å; M37-I50 HydrophobicContact CE-CD1 4.4Å; M37-I50 HydrophobicContact SD-CD1 4.42Å
38R78.8Confident66.7Low103 Ų10376.2 Ų76.239%0.38944%0.435SS..EExtended strand (participates in β ladder)trans-79.5128.1169-175.1-174.3-68.6143.714.4108.6D29 L32 T45 Y47D29-R38 IonicContact OD1-CZ 3.63Å; D29-R38 IonicContact OD1-NH1 3.67Å; D29-R38 PolarHBondContact OD1-NH1 3.25Å; D29-R38 IonicContact OD1-NH2 2.64Å; D29-R38 PolarHBondContact OD1-NH2 2.84Å; D29-R38 IonicContact OD2-CZ 3.56Å; D29-R38 IonicContact OD2-NE 3.29Å; D29-R38 IonicContact OD2-NH1 3.37Å; D29-R38 PolarHBondContact OD2-NH1 2.88Å; D29-R38 IonicContact OD2-NH2 3.68Å; D29-R38 PolarHBondContact OD2-NH2 3.06Å; L32-R38 HydrophobicContact CD1-CB 3.94Å; R38-T45 HydrophobicContact CG-CG2 3.34Å; R38-Y47 HydrophobicContact CB-CD1 3.98Å; R38-Y47 HydrophobicContact CB-CE1 3.79Å; R38-Y47 HydrophobicContact CG-CD1 4.24Å; R38-Y47 HydrophobicContact CG-CE1 3.73Å; R38-Y47 PolarHBondContact NE-OH 3.07Å
39V76.4Confident68.3Low31 Ų3171.6 Ų71.619%0.18840%0.404CS..EExtended strand (participates in β ladder)trans-121.8130.5178.1-171.30000108M37 T45 Y46 W48M37-V39 HydrophobicContact CE-CG2 4.13Å; M37-V39 HydrophobicContact CG-CG2 4.35Å; V39-T45 CarbonylContact O-C 3.56Å; V39-T45 WeakPolarHBondContact O-CA 3.4Å; V39-Y46 HydrophobicContact CB-CD1 4.24Å; V39-Y46 HydrophobicContact CB-CD2 4.1Å; V39-Y46 HydrophobicContact CB-CE1 3.87Å; V39-Y46 HydrophobicContact CB-CE2 3.73Å; V39-Y46 HydrophobicContact CB-CG 4.35Å; V39-Y46 HydrophobicContact CG1-CD1 4.46Å; V39-Y46 HydrophobicContact CG1-CE1 3.66Å; V39-Y46 HydrophobicContact CG1-CE2 4.02Å; V39-Y46 VanDerWaalsContact CG1-CZ 3.41Å; V39-Y46 WeakPolarHBondContact CG1-OH 3.3Å; V39-Y46 HydrophobicContact CG2-CE2 4.06Å; V39-Y46 PolarHBondContact N-O 2.86Å; V39-Y46 PolarHBondContact O-N 2.8Å; V39-W48 HydrophobicContact CG2-CB 4.11Å
40Q73.1Confident69Low153 Ų15372.7 Ų72.772%0.71541%0.41SS*.EExtended strand (participates in β ladder)trans-119124.1179-169.9172.97.200109.3
41D66.9Low69Low50 Ų5072.2 Ų72.227%0.26740%0.404SS..EExtended strand (participates in β ladder)trans-127.5-172.6178.671.713.3000111.7S43 G44 Y46D41-S43 PolarHBondContact O-N 2.83Å; D41-S43 VanDerWaalsContact OD1-CA 3.27Å; D41-S43 WeakPolarHBondContact OD1-CA 3.03Å; D41-S43 WeakPolarHBondContact OD1-CB 3.45Å; D41-S43 PolarHBondContact OD1-N 2.82Å; D41-S43 PolarHBondContact OD1-OG 3.08Å; D41-S43 PolarHBondContact OD2-OG 3.23Å; D41-G44 PolarHBondContact N-O 2.85Å; D41-G44 PolarHBondContact O-N 3.5Å; D41-G44 PolarHBondContact OD1-N 2.82Å; D41-Y46 HydrophobicContact CB-CE1 4.3Å; D41-Y46 WeakPolarHBondContact OD2-CE1 3.4Å
42T60.7Low68.7Low149 Ų14970.1 Ų70.191%0.91440%0.396SS*.THydrogen-bonded Turntrans-66.8-11.5178.650.30000114.2
43S62Low68.4Low83 Ų8370.8 Ų70.858%0.5841%0.411SS*.THydrogen-bonded Turntrans-104.8-12-179.5680000113.8D41 W57D41-S43 PolarHBondContact O-N 2.83Å; D41-S43 VanDerWaalsContact OD1-CA 3.27Å; D41-S43 WeakPolarHBondContact OD1-CA 3.03Å; D41-S43 WeakPolarHBondContact OD1-CB 3.45Å; D41-S43 PolarHBondContact OD1-N 2.82Å; D41-S43 PolarHBondContact OD1-OG 3.08Å; D41-S43 PolarHBondContact OD2-OG 3.23Å; S43-W57 WeakPolarHBondContact OG-CH2 3.3Å
44G67.5Low68.1Low27 Ų2771.6 Ų71.628%0.27842%0.415SS..EExtended strand (participates in β ladder)trans141.8-162.4173.100000112.5D41D41-G44 PolarHBondContact N-O 2.85Å; D41-G44 PolarHBondContact O-N 3.5Å; D41-G44 PolarHBondContact OD1-N 2.82Å
45T81Confident68.8Low46 Ų4671 Ų7128%0.28240%0.401SS..EExtended strand (participates in β ladder)trans-101.7120.8176-56.70000109.3R38 V39 Y47R38-T45 HydrophobicContact CG-CG2 3.34Å; V39-T45 CarbonylContact O-C 3.56Å; V39-T45 WeakPolarHBondContact O-CA 3.4Å; T45-Y47 HydrophobicContact CG2-CE2 4.46Å
46Y76.2Confident69.5Low58 Ų5872 Ų7223%0.22740%0.397CS..EExtended strand (participates in β ladder)trans-120.2164.7171.367.4-85000111.1V39 D41 T55 Q56 W57V39-Y46 HydrophobicContact CB-CD1 4.24Å; V39-Y46 HydrophobicContact CB-CD2 4.1Å; V39-Y46 HydrophobicContact CB-CE1 3.87Å; V39-Y46 HydrophobicContact CB-CE2 3.73Å; V39-Y46 HydrophobicContact CB-CG 4.35Å; V39-Y46 HydrophobicContact CG1-CD1 4.46Å; V39-Y46 HydrophobicContact CG1-CE1 3.66Å; V39-Y46 HydrophobicContact CG1-CE2 4.02Å; V39-Y46 VanDerWaalsContact CG1-CZ 3.41Å; V39-Y46 WeakPolarHBondContact CG1-OH 3.3Å; V39-Y46 HydrophobicContact CG2-CE2 4.06Å; V39-Y46 PolarHBondContact N-O 2.86Å; V39-Y46 PolarHBondContact O-N 2.8Å; D41-Y46 HydrophobicContact CB-CE1 4.3Å; D41-Y46 WeakPolarHBondContact OD2-CE1 3.4Å; Y46-T55 HydrophobicContact CD2-CG2 4.25Å; Y46-T55 HydrophobicContact CE2-CG2 4.2Å; Y46-Q56 CarbonylContact C-O 3.52Å; Y46-Q56 WeakPolarHBondContact CA-O 3.34Å; Y46-Q56 WeakPolarHBondContact CB-O 3.27Å; Y46-W57 HydrophobicContact CD1-CH2 4.15Å; Y46-W57 HydrophobicContact CD1-CZ3 4.09Å; Y46-W57 HydrophobicContact CG-CZ3 4.37Å
47Y81.3Confident69.9Low22 Ų2276.3 Ų76.39%0.08641%0.414CS..EExtended strand (participates in β ladder)trans-119.4128.5-177-60.2-91.7000109.1L32 M37 R38 T45 T55 Q56 W57 E58 P59 P60L32-Y47 HydrophobicContact CD1-CD1 4.23Å; L32-Y47 HydrophobicContact CD1-CE1 4.32Å; L32-Y47 HydrophobicContact CD2-CD1 3.77Å; L32-Y47 HydrophobicContact CD2-CE1 3.73Å; M37-Y47 CarbonylContact O-C 3.56Å; M37-Y47 WeakPolarHBondContact O-CA 3.21Å; R38-Y47 HydrophobicContact CB-CD1 3.98Å; R38-Y47 HydrophobicContact CB-CE1 3.79Å; R38-Y47 HydrophobicContact CG-CD1 4.24Å; R38-Y47 HydrophobicContact CG-CE1 3.73Å; R38-Y47 PolarHBondContact NE-OH 3.07Å; T45-Y47 HydrophobicContact CG2-CE2 4.46Å; Y47-T55 CarbonylContact O-C 3.48Å; Y47-T55 VanDerWaalsContact O-CA 3.31Å; Y47-T55 WeakPolarHBondContact O-CA 2.92Å; Y47-Q56 PolarHBondContact N-O 2.92Å; Y47-Q56 PolarHBondContact O-N 2.77Å; Y47-W57 WeakPolarHBondContact CE2-O 3.41Å; Y47-E58 WeakPolarHBondContact CD2-O 3.44Å; Y47-P59 HydrophobicContact CE1-CB 4.07Å; Y47-P59 HydrophobicContact CE2-CB 3.96Å; Y47-P59 HydrophobicContact CE2-CG 3.89Å; Y47-P60 HydrophobicContact CD1-CG 4.5Å
48W71.3Confident69.9Low95 Ų9578.7 Ų78.736%0.3642%0.424SS..EExtended strand (participates in β ladder)trans-115.5124.8-177-17937.6000110.4M37 V39 I50 T54 T55M37-W48 HydrophobicContact CE-CE3 3.35Å; M37-W48 HydrophobicContact CE-CZ3 3.62Å; M37-W48 PolarHBondContact N-O 2.9Å; M37-W48 PolarHBondContact O-N 2.87Å; V39-W48 HydrophobicContact CG2-CB 4.11Å; W48-I50 HydrophobicContact CD2-CG1 4.48Å; W48-I50 HydrophobicContact CE3-CG1 4.35Å; W48-T54 WeakPolarHBondContact CA-O 3.42Å; W48-T55 HydrophobicContact CB-CG2 4.33Å; W48-T55 HydrophobicContact CG-CG2 4.21Å
49H73Confident69.9Low32 Ų3276.3 Ų76.315%0.14842%0.422CS..EExtended strand (participates in β ladder)trans-90.8101.9173.7-169-124.5000109.9G35 W36 T52 G53 T54G35-H49 CarbonylContact O-C 3.55Å; G35-H49 WeakPolarHBondContact O-CA 3.31Å; G35-H49 PolarHBondContact O-CD2 2.99Å; W36-H49 AromaticContact CD1-CD2 3.39Å; W36-H49 HydrophobicContact CD2-CB 3.78Å; W36-H49 AromaticContact CD2-CD2 3.65Å; W36-H49 AromaticContact CD2-CG 3.99Å; W36-H49 AromaticContact CE2-CD2 3.37Å; W36-H49 AromaticContact CE2-CG 3.67Å; W36-H49 HydrophobicContact CE3-CB 3.69Å; W36-H49 AromaticContact CG-CD2 3.72Å; W36-H49 HydrophobicContact CH2-CB 3.74Å; W36-H49 HydrophobicContact CZ2-CB 3.8Å; W36-H49 AromaticContact CZ2-CD2 4Å; W36-H49 AromaticContact CZ2-CG 3.86Å; W36-H49 HydrophobicContact CZ3-CB 3.68Å; W36-H49 AromaticContact NE1-CD2 3.16Å; W36-H49 PolarHBondContact NE1-CD2 2.96Å; W36-H49 AromaticContact NE1-CG 3.92Å; W36-H49 AromaticContact NE1-NE2 3.66Å; H49-T52 VanDerWaalsContact ND1-CG2 3.33Å; H49-T52 WeakPolarHBondContact ND1-CG2 3.37Å; H49-T52 PolarHBondContact ND1-OG1 2.94Å; H49-T52 PolarHBondContact O-N 2.87Å; H49-G53 WeakPolarHBondContact O-CA 3.5Å; H49-G53 PolarHBondContact O-N 3.35Å; H49-T54 PolarHBondContact N-O 3.33Å; H49-T54 PolarHBondContact O-N 3.47Å
50I60.1Low69.4Low93 Ų9375.4 Ų75.448%0.47742%0.416SS..THydrogen-bonded Turntrans-59-41.6-171.5-56.5168.4000112.4G35 M37 W48 T52G35-I50 PolarHBondContact O-N 2.73Å; M37-I50 HydrophobicContact CB-CD1 4.12Å; M37-I50 HydrophobicContact CB-CG1 4.42Å; M37-I50 HydrophobicContact CE-CD1 4.4Å; M37-I50 HydrophobicContact SD-CD1 4.42Å; W48-I50 HydrophobicContact CD2-CG1 4.48Å; W48-I50 HydrophobicContact CE3-CG1 4.35Å; I50-T52 PolarHBondContact O-N 3.44Å
51P50.1Low68.9Low96 Ų9671.4 Ų71.462%0.62342%0.417SS*.THydrogen-bonded Turntrans-68.4-28.3-179.2-2234.4000115.1G35G35-P51 WeakPolarHBondContact O-CD 3.5Å
52T49.9Very low68.2Low86 Ų8679.3 Ų79.353%0.52844%0.443SS..THydrogen-bonded Turntrans-111.2-9.6-175.765.60000113.6H49 I50 T54H49-T52 VanDerWaalsContact ND1-CG2 3.33Å; H49-T52 WeakPolarHBondContact ND1-CG2 3.37Å; H49-T52 PolarHBondContact ND1-OG1 2.94Å; H49-T52 PolarHBondContact O-N 2.87Å; I50-T52 PolarHBondContact O-N 3.44Å; T52-T54 PolarHBondContact O-N 3Å; T52-T54 WeakPolarHBondContact OG1-CB 3.48Å; T52-T54 PolarHBondContact OG1-OG1 3.46Å
53G62.5Low67Low47 Ų4776.6 Ų76.649%0.48544%0.436SS..THydrogen-bonded Turntrans73.18.7-176.200000114.5H49H49-G53 WeakPolarHBondContact O-CA 3.5Å; H49-G53 PolarHBondContact O-N 3.35Å
54T64.1Low65.6Low71 Ų7177.9 Ų77.944%0.43645%0.445SS..EExtended strand (participates in β ladder)trans-80.3136.3-174.3-47.50000111.4W48 H49 T52W48-T54 WeakPolarHBondContact CA-O 3.42Å; H49-T54 PolarHBondContact N-O 3.33Å; H49-T54 PolarHBondContact O-N 3.47Å; T52-T54 PolarHBondContact O-N 3Å; T52-T54 WeakPolarHBondContact OG1-CB 3.48Å; T52-T54 PolarHBondContact OG1-OG1 3.46Å
55T77.8Confident64Low87 Ų8782.5 Ų82.553%0.53447%0.469SS..EExtended strand (participates in β ladder)trans-116.7141.3175.9550000111.3Y46 Y47 W48Y46-T55 HydrophobicContact CD2-CG2 4.25Å; Y46-T55 HydrophobicContact CE2-CG2 4.2Å; Y47-T55 CarbonylContact O-C 3.48Å; Y47-T55 VanDerWaalsContact O-CA 3.31Å; Y47-T55 WeakPolarHBondContact O-CA 2.92Å; W48-T55 HydrophobicContact CB-CG2 4.33Å; W48-T55 HydrophobicContact CG-CG2 4.21Å
56Q78.6Confident61.8Low54 Ų5485.1 Ų85.125%0.25249%0.49SS..EExtended strand (participates in β ladder)trans-145.4155176.362.7-176.358.200111.2W36 Y46 Y47 E58W36-Q56 HydrophobicContact CH2-CG 4.25Å; W36-Q56 HydrophobicContact CZ3-CG 3.78Å; Y46-Q56 CarbonylContact C-O 3.52Å; Y46-Q56 WeakPolarHBondContact CA-O 3.34Å; Y46-Q56 WeakPolarHBondContact CB-O 3.27Å; Y47-Q56 PolarHBondContact N-O 2.92Å; Y47-Q56 PolarHBondContact O-N 2.77Å; Q56-E58 WeakPolarHBondContact CG-O 3.49Å; Q56-E58 PolarHBondContact NE2-O 3.41Å
57W81.3Confident59.8Low145 Ų14592 Ų9255%0.54952%0.524SS..SBendtrans-87.5-21.7179.3-64.397.6000112.2S43 Y46 Y47S43-W57 WeakPolarHBondContact OG-CH2 3.3Å; Y46-W57 HydrophobicContact CD1-CH2 4.15Å; Y46-W57 HydrophobicContact CD1-CZ3 4.09Å; Y46-W57 HydrophobicContact CG-CZ3 4.37Å; Y47-W57 WeakPolarHBondContact CE2-O 3.41Å
58E75.9Confident57.3Low125 Ų12594.3 Ų94.358%0.58456%0.555SS**SBendtrans-86.6148.6178.1-59.177.3-165.500112.7Y47 Q56Y47-E58 WeakPolarHBondContact CD2-O 3.44Å; Q56-E58 WeakPolarHBondContact CG-O 3.49Å; Q56-E58 PolarHBondContact NE2-O 3.41Å
59P78.5Confident55.2Low52 Ų5296 Ų9634%0.33858%0.581SS.*PPolyproline II helixtrans-69.7128.2176.6-8.420.9000111.8Y47Y47-P59 HydrophobicContact CE1-CB 4.07Å; Y47-P59 HydrophobicContact CE2-CB 3.96Å; Y47-P59 HydrophobicContact CE2-CG 3.89Å
60P65.8Low53Low12 Ų1299.9 Ų99.98%0.07861%0.612CS.*THydrogen-bonded Turntrans-67.3131.6173.629.5-37.1000110.5L32 P33 W36 Y47L32-P60 HydrophobicContact CD2-CG 3.86Å; P33-P60 WeakPolarHBondContact CD-O 3.44Å; P33-P60 HydrophobicContact CG-CB 4.31Å; W36-P60 HydrophobicContact CB-CG 3.77Å; W36-P60 HydrophobicContact CD2-CB 3.49Å; W36-P60 VanDerWaalsContact CD2-CB 3.49Å; W36-P60 HydrophobicContact CD2-CG 3.35Å; W36-P60 HydrophobicContact CE3-CB 3.81Å; W36-P60 HydrophobicContact CE3-CG 3.47Å; W36-P60 VanDerWaalsContact CE3-CG 3.47Å; W36-P60 HydrophobicContact CG-CB 3.9Å; W36-P60 HydrophobicContact CG-CG 3.51Å; W36-P60 HydrophobicContact CH2-CB 4.2Å; W36-P60 HydrophobicContact CZ2-CB 3.94Å; W36-P60 HydrophobicContact CZ3-CB 4.14Å; W36-P60 HydrophobicContact CZ3-CG 4.16Å; Y47-P60 HydrophobicContact CD1-CG 4.5Å
61G62.8Low52.1Low70 Ų70100.8 Ų100.872%0.72262%0.624SS**THydrogen-bonded Turntrans98.53.7171.800000117.3A63G61-A63 PolarHBondContact O-N 2.61Å
62R51.3Low51Low215 Ų215105.3 Ų105.381%0.81164%0.636SS**  trans-78.899.9167.3-94.8-174.5177.5-174.60.7111.1
63A36.3Very low49.8Very low93 Ų93109.9 Ų109.977%0.76965%0.652SS**  trans-71.2118.5148.900000107.8G61G61-A63 PolarHBondContact O-N 2.61Å
64S33.1Very low48.1Very low110 Ų110114.5 Ų114.577%0.76966%0.661SS**  trans-62.1128.1175.5-58.30000110.7S66S64-S66 PolarHBondContact O-N 3.09Å; S64-S66 VanDerWaalsContact O-N 3.14Å
65P33.4Very low46.2Very low123 Ų123116.6 Ų116.680%0.79968%0.679SS**  trans-76.5100.4163.618.1-7.5000108.9
66S35.3Very low43.6Very low102 Ų102118.7 Ų118.771%0.71368%0.682SS**  trans16.9123.7149.560.20000119.2S64S64-S66 PolarHBondContact O-N 3.09Å; S64-S66 VanDerWaalsContact O-N 3.14Å
67Q33Very low41.1Very low201 Ų201124 Ų12494%0.93971%0.711SS**  -147.5126118.6-76.9-148.5-21.600109.3
68G28.8Very low38.5Very low72 Ų72122.5 Ų122.574%0.74272%0.719SS**  trans-74.3152.3-17600000113.4
69S27.9Very low36.1Very low130 Ų130128.1 Ų128.191%0.90974%0.735SS**  trans-174.8114.5144.4-72.90000107.1
70S27.5Very low33.7Very low113 Ų113132.1 Ų132.179%0.7976%0.758SS**  trans-108.3159159.152.80000107.2
71P41.2Very low31.6Very low112 Ų112134.5 Ų134.573%0.72779%0.785SS**  cis-143.8-17125.137.5-14.5000115.9
72Q25.4Very low29.8Very low191 Ų191141.3 Ų141.389%0.89380%0.795SS**  trans75.4126.2177.3-66.4177.2-71.100114.4
73E26.2Very low28.6Very low183 Ų183135.5 Ų135.586%0.85579%0.793SS**  -155.7135.450.4-165.3173.1-179.300110.2
74E25.9Very low28.1Very low144 Ų144139.4 Ų139.467%0.67380%0.795SS**  trans-85.9137.3173-176.2-178165.300109.6Q76E74-Q76 HydrophobicContact CG-CG 4.3Å; E74-Q76 WeakPolarHBondContact OE1-CG 3.33Å; E74-Q76 PolarHBondContact OE1-NE2 3.06Å
75S23.2Very low27.8Very low115 Ų115140.3 Ų140.380%0.80479%0.787SS**  trans-151.8102.4153.6-71.30000109.5
76Q23.5Very low27.5Very low130 Ų130142.6 Ų142.661%0.60779%0.787SS**  trans-56.5152.9173.9-58176-0.200113.1E74E74-Q76 HydrophobicContact CG-CG 4.3Å; E74-Q76 WeakPolarHBondContact OE1-CG 3.33Å; E74-Q76 PolarHBondContact OE1-NE2 3.06Å
77L27.4Very low27.1Very low166 Ų166141.2 Ų141.287%0.86979%0.789SS**  trans-143.286.7134.9-75.8-177.7000109.6
78T25.4Very low26.6Very low114 Ų114140.3 Ų140.370%0.69978%0.782SS**  trans-85.512715528.30000108.6
79W25.5Very low26.5Very low243 Ų243143.5 Ų143.592%0.9278%0.778SS**  trans-91.797.1166.2-92.794.8000109.6
80T28.1Very low26.4Very low136 Ų136146 Ų14683%0.83478%0.775SS**  trans-149.7119.3146.245.20000108.2
81G23.1Very low26.2Very low61 Ų61143.6 Ų143.663%0.62977%0.768SS**  trans-75136.2-176.100000114
82F24.7Very low25.6Very low213 Ų213147.1 Ų147.193%0.93478%0.775SS**  trans28.4115.2141.6-58.2-82000120.3
83A25Very low25.7Very low94 Ų94145.8 Ų145.878%0.77777%0.766SS**  -144.9129.1119.900000109.3
84H27.4Very low25.7Very low174 Ų174146.1 Ų146.181%0.80676%0.76SS**  trans7.4156.7163.9-70.6-76.7000121.9
85Q25.6Very low25.6Very low130 Ų130147 Ų14761%0.60776%0.762SS**  cis174.6131.9-24170.3170.82.600103.3
86E27.9Very low25.7Very low171 Ų171148.3 Ų148.380%0.79976%0.76SS**  trans64.8130.2156.1-73.7166.1-161.800121.6
87G25.8Very low25.9Very low73 Ų73151 Ų15175%0.75377%0.772SS**  141.883126.900000118.3
88F23.9Very low26.7Very low182 Ų182147.7 Ų147.780%0.79876%0.761SS**  76.6108.7129.3-135.9-104.9000121.7
89E26Very low26.7Very low138 Ų138148.2 Ų148.265%0.64577%0.769SS**  41.2143.5127.3-60.1-169.6154.100124.8
90E25.6Very low26.9Very low183 Ų183145.3 Ų145.386%0.85577%0.766SS**  trans62124.1152.2-73.8-177.7161.600117.3
91G24.1Very low26.7Very low63 Ų63148.1 Ų148.165%0.64977%0.769SS**  cis129.6146.233.400000106.6
92E27.6Very low27Very low185 Ų185149.7 Ų149.786%0.86478%0.776SS**  trans78.1142.1155.9-57.1-163.2175.700116.2
93F27.4Very low27.8Very low163 Ų163145.5 Ų145.572%0.71577%0.77SS**  cis170.1127.27.4164.5-100.1000108.1
94W27.6Very low27.9Very low191 Ų191150.1 Ų150.172%0.72378%0.778SS**  trans60.5132.1162.7-57.1120.2000124.9
95K23.5Very low27.9Very low163 Ų163150.2 Ų150.271%0.70978%0.779SS**  82.8118.7125.9-85.7178.6167.9-177.80120.9
96D25.6Very low28Very low142 Ų142152.5 Ų152.576%0.75979%0.794SS**  37.9128.4111.7-54.5-19000116.4
97E26.5Very low27.9Very low187 Ų187147.6 Ų147.687%0.87479%0.79SS**  cis-168.1179.338.2-124.5-150.4104.600109.4
98P44.5Very low28Very low96 Ų96152.2 Ų152.262%0.62380%0.796SS**  trans-95.7171.1-164.840.8-37000114.1
99S25.5Very low28.2Very low124 Ų124153.4 Ų153.487%0.86780%0.802SS**  trans-162146.9151.5-53.40000112.6
100E29Very low28.3Very low183 Ų183154 Ų15486%0.85581%0.809SS**  trans-59.4162.4175.1-54.3-175.7124.500114.8
101E25.6Very low28.9Very low194 Ų194150.4 Ų150.491%0.90780%0.802SS**  176.9153.9113-92.8-174-168.800111.5
102A28.4Very low29.2Very low95 Ų95155.6 Ų155.679%0.78581%0.809SS**  trans-97.1-152-16200000114
103P42.2Very low29.2Very low124 Ų124154.5 Ų154.581%0.80580%0.804SS**  -106.6165.3-123.329.2-8000114.6
104M25.4Very low29.2Very low191 Ų191151.6 Ų151.694%0.94181%0.81SS**  trans-143127.2171.3-125.7-177.6-77.200113.2
105E29Very low29.2Very low177 Ų177147.9 Ų147.983%0.82781%0.809SS**  trans-78.6162.1165.3-74.9-145.2153.200112.4
106L27.6Very low29.3Very low177 Ų177148.3 Ų148.393%0.92782%0.818SS**  176.1135.7125.8-93.8163.7000112.4
107G24.9Very low29.4Very low69 Ų69146.7 Ų146.771%0.71182%0.818SS**  120.776128.400000121.7
108L28.9Very low29.5Very low169 Ų169147 Ų14789%0.88582%0.817SS**  trans8.5132.3136.3-60.2167.3000121.7
109K27Very low28.8Very low208 Ų208148.5 Ų148.590%0.90483%0.826SS**  -177.6122116.9-106.2175.4169.9-177.70114
110D27.8Very low28.8Very low150 Ų150147.2 Ų147.280%0.80282%0.823SS**  trans-74.6172.5158.1-69.4-60.1000111.5
111P39.5Very low28.7Very low108 Ų108148 Ų14870%0.70183%0.827SS**  -143.7145.989.139.1-22.6000116.4
112E30.8Very low28.8Very low171 Ų171143.9 Ų143.980%0.79982%0.819SS**  61.2142.1128-71.7179.9158.400119.9
113E26.3Very low28.7Very low162 Ų162147.6 Ų147.676%0.75783%0.825SS**  cis-175.2141.62.8-155.2178.3179.100105.9
114A27.1Very low28.1Very low103 Ų103146.7 Ų146.785%0.85182%0.822SS**  trans176.887.7145.600000111.1
115T27.5Very low28.8Very low113 Ų113143 Ų14369%0.69381%0.812SS**  trans-42.8146157.1-19.60000110.9
116L26.8Very low28.6Very low172 Ų172143.5 Ų143.590%0.90181%0.814SS**  -166.1143.785.5-81.5174.2000112.5
117S26.9Very low28.7Very low108 Ų108140.8 Ų140.876%0.75581%0.807SS**  trans-91.8160.7-172.3-1660000113.6
118F27.6Very low28.9Very low194 Ų194144.2 Ų144.285%0.85181%0.814SS**  trans-60.7168177.1-63.5-91.4000114.8
119P30.9Very low29Very low126 Ų126141.4 Ų141.482%0.81881%0.806SS**  trans-126.2136130.334-23.5000112.3
120A25.2Very low29.1Very low98 Ų98139.2 Ų139.281%0.8180%0.799SS**  trans-90129.3165.700000109.7
121Q26.7Very low29.4Very low200 Ų200140.8 Ų140.894%0.93580%0.801SS**  trans-135.7131155.9-79.9-169.8-0.700110.5
122S28.2Very low29.4Very low106 Ų106143.1 Ų143.174%0.74180%0.803SS**  trans-65.3132.3-177.3145.50000113.8
123L26.6Very low29.6Very low173 Ų173142.9 Ų142.991%0.90680%0.802SS**  trans-153.6125.5140-78-179.2000109.5
124S29.4Very low29.7Very low106 Ų106144.5 Ų144.574%0.74181%0.807SS**  trans-87.2-171.6172-45.80000110.8
125P39.2Very low29.8Very low114 Ų114147.9 Ų147.974%0.7481%0.809SS**  -128144.2-71.835.1-18.6000112.1
126E25.6Very low30.2Very low186 Ų186146.7 Ų146.787%0.86981%0.806SS**  trans-154136.2153.7-144149.2146.800111.9
127P30.7Very low30.7Very low121 Ų121147.3 Ų147.379%0.78680%0.804SS**  trans-91.6131.8-162.634.4-29.1000111.5
128V27.6Very low31.2Very low140 Ų140153 Ų15385%0.84881%0.809SS**  trans-110.1129.2165.6-1690000107.9
129P31.6Very low31.5Very low110 Ų110150.6 Ų150.671%0.71481%0.805SS**  trans-73.6136.1-161.8-12.328.3000112.5E131P129-E131 PolarHBondContact O-N 2.75Å; P129-E131 VanDerWaalsContact O-N 3.09Å
130Q28.6Very low31.8Very low162 Ų162148.9 Ų148.976%0.75780%0.801SS**  trans-58.198163.2-167172.97.600109.4E132Q130-E132 HydrophobicContact CG-CB 4.11Å; Q130-E132 PolarHBondContact O-N 2.89Å; Q130-E132 VanDerWaalsContact O-N 3.12Å
131E35Very low32.8Very low183 Ų183149 Ų14986%0.85579%0.788SS**  trans-81.150.3162.5-70.1-161.5142.900110.4P129P129-E131 PolarHBondContact O-N 2.75Å; P129-E131 VanDerWaalsContact O-N 3.09Å
132E38.5Very low34.2Very low158 Ų158146.2 Ų146.274%0.73879%0.787SS**  trans-118.461.9163.4-80.9-168.8137.900108.3Q130Q130-E132 HydrophobicContact CG-CB 4.11Å; Q130-E132 PolarHBondContact O-N 2.89Å; Q130-E132 VanDerWaalsContact O-N 3.12Å
133E35.2Very low36.1Very low166 Ų166144.1 Ų144.178%0.77678%0.783SS**  trans-166.466.8164.9-114.8-176.6170.500109.5
134K28Very low38.8Very low196 Ų196138.4 Ų138.485%0.85275%0.753SS**  trans-142.946.3173.4-120.2179.4-169.9175.50113.7
135L30.2Very low41.8Very low174 Ų174136.6 Ų136.691%0.91173%0.731SS**SBendtrans-130.41.3157.7-94.1158.7000113.3
136S35.8Very low44.4Very low88 Ų88134.2 Ų134.262%0.61572%0.717SS**SBendtrans-85.6-6.9-170.4-14.90000115.7
137Q36.6Very low47.7Very low184 Ų184126.6 Ų126.686%0.8668%0.681SS**  trans-149.263.9-173.9-67.5-176.3-3.100113
138R37.3Very low50.9Low228 Ų228122.4 Ų122.486%0.8666%0.656SS**SBendtrans-122.2106.2162.4-154.1170.9-175.2178.90.2108.7
139N35.3Very low54.1Low143 Ų143115.9 Ų115.977%0.76562%0.617SS**  trans79.256.7-179.9-50.9-23.4000115.8N141N139-N141 PolarHBondContact O-N 3.29Å
140A36.5Very low57.1Low90 Ų90116.2 Ų116.274%0.74460%0.604SS**  trans-72.583.8158.500000108.9P142A140-P142 VanDerWaalsContact O-CD 3.3Å; A140-P142 WeakPolarHBondContact O-CD 3.48Å
141N45.8Very low60.3Low100 Ų100108.6 Ų108.654%0.53557%0.568SS.*  trans-57.4121.7153.1-88.5-12000106.2N139 G143 I144N139-N141 PolarHBondContact O-N 3.29Å; N141-G143 PolarHBondContact O-N 2.82Å; N141-I144 HydrophobicContact CB-CD1 3.73Å; N141-I144 HydrophobicContact CB-CG1 3.9Å; N141-I144 PolarHBondContact O-N 3.26Å; N141-I144 VanDerWaalsContact O-N 3.15Å
142P57Low63Low142 Ų142100.5 Ų100.592%0.92253%0.531SS*.THydrogen-bonded Turntrans-58.9-6.3-176.5-26.134.9000115.2A140A140-P142 VanDerWaalsContact O-CD 3.3Å; A140-P142 WeakPolarHBondContact O-CD 3.48Å
143G66.7Low65.5Low63 Ų6393.4 Ų93.465%0.64950%0.5SS*.THydrogen-bonded Turntrans-100.9-8.2-179.100000116.2N141N141-G143 PolarHBondContact O-N 2.82Å
144I84.2Confident68.3Low52 Ų5289 Ų8927%0.26748%0.476SS..  trans-96.5120.8-176-53.6173.3000109.8N141 Q202 E204N141-I144 HydrophobicContact CB-CD1 3.73Å; N141-I144 HydrophobicContact CB-CG1 3.9Å; N141-I144 PolarHBondContact O-N 3.26Å; N141-I144 VanDerWaalsContact O-N 3.15Å; I144-Q202 HydrophobicContact CG2-CB 4.49Å; I144-E204 HydrophobicContact CD1-CG 4.31Å; I144-E204 WeakPolarHBondContact CD1-OE1 3.43Å; I144-E204 HydrophobicContact CG1-CB 4.26Å; I144-E204 HydrophobicContact CG1-CG 3.88Å; I144-E204 WeakPolarHBondContact CG1-OE1 3.38Å; I144-E204 HydrophobicContact CG2-CB 4.29Å
145K91.8Very high71.4Confident68 Ų6880.9 Ų80.930%0.29644%0.443SS..EExtended strand (participates in β ladder)trans-100120.1172.3-63-179.9177.4-179.90109.5F147 Q202 L203 S271 E274K145-F147 HydrophobicContact CB-CE2 3.81Å; K145-F147 HydrophobicContact CB-CZ 4.05Å; K145-Q202 CarbonylContact O-C 3.57Å; K145-Q202 WeakPolarHBondContact O-CA 3.32Å; K145-L203 HydrophobicContact CB-CB 4.38Å; K145-L203 PolarHBondContact N-O 3.35Å; K145-L203 PolarHBondContact O-N 2.63Å; K145-S271 VanDerWaalsContact CD-OG 3.25Å; K145-S271 WeakPolarHBondContact CD-OG 3.38Å; K145-S271 PolarHBondContact NZ-OG 2.78Å; K145-S271 VanDerWaalsContact NZ-OG 3.09Å; K145-E274 IonicContact NZ-OE2 2.68Å; K145-E274 PolarHBondContact NZ-OE2 3.28Å
146C94.3Very high74.4Confident64 Ų6478 Ų7843%0.43243%0.425SS..EExtended strand (participates in β ladder)trans-117.4135-176-1720000111L201 Q202C146-L201 CarbonylContact C-O 3.42Å; C146-L201 WeakPolarHBondContact CA-O 2.82Å; C146-Q202 HydrophobicContact CB-CG 4.13Å
147F96.1Very high77.1Confident27 Ų2774.2 Ų74.212%0.11840%0.398CS..EExtended strand (participates in β ladder)trans-132127.9-177.4-54.2-86.3000110.3K145 V149 L201 L203 N267 I268K145-F147 HydrophobicContact CB-CE2 3.81Å; K145-F147 HydrophobicContact CB-CZ 4.05Å; F147-V149 HydrophobicContact CB-CG1 4.26Å; F147-V149 PolarHBondContact O-N 2.8Å; F147-L201 HydrophobicContact CB-CB 4.45Å; F147-L201 HydrophobicContact CD2-CD2 4.04Å; F147-L201 WeakPolarHBondContact CD2-O 3.42Å; F147-L201 PolarHBondContact N-O 3.06Å; F147-L201 PolarHBondContact O-N 2.76Å; F147-L203 HydrophobicContact CE2-CD1 3.99Å; F147-L203 HydrophobicContact CE2-CG 4.29Å; F147-N267 HydrophobicContact CE1-CB 3.95Å; F147-I268 HydrophobicContact CB-CD1 3.89Å; F147-I268 HydrophobicContact CB-CG1 4.11Å; F147-I268 HydrophobicContact CD1-CD1 4.36Å; F147-I268 HydrophobicContact CD1-CG1 3.67Å; F147-I268 HydrophobicContact CD2-CD1 4.32Å; F147-I268 HydrophobicContact CD2-CG1 3.83Å; F147-I268 HydrophobicContact CE1-CG1 3.98Å; F147-I268 HydrophobicContact CE2-CG1 4.13Å; F147-I268 HydrophobicContact CG-CD1 3.94Å; F147-I268 HydrophobicContact CG-CG1 3.59Å; F147-I268 HydrophobicContact CZ-CG1 4.2Å
148A96Very high79.7Confident32 Ų3268.4 Ų68.426%0.26438%0.375SS..EExtended strand (participates in β ladder)trans-75.5123.217100000109.9L200 E262A148-L200 HydrophobicContact CB-CD2 4.48Å; A148-E262 HydrophobicContact CB-CB 4.28Å; A148-E262 HydrophobicContact CB-CG 3.98Å; A148-E262 WeakPolarHBondContact CB-OE2 3.45Å; A148-E262 PolarHBondContact O-N 2.76Å; A148-E262 VanDerWaalsContact O-N 3.08Å
149V96.1Very high82.1Confident4 Ų461.5 Ų61.52%0.02435%0.352CS..EExtended strand (participates in β ladder)trans-139.8153-175.9-56.60000111.5F147 L199 L201 F259 R260 C261 I268F147-V149 HydrophobicContact CB-CG1 4.26Å; F147-V149 PolarHBondContact O-N 2.8Å; V149-L199 HydrophobicContact CG2-CB 4.04Å; V149-L199 PolarHBondContact N-O 2.85Å; V149-L199 PolarHBondContact O-N 2.9Å; V149-L201 HydrophobicContact CG1-CB 4.09Å; V149-L201 HydrophobicContact CG2-CB 3.87Å; V149-F259 HydrophobicContact CB-CB 4.11Å; V149-F259 HydrophobicContact CG2-CB 4.36Å; V149-F259 HydrophobicContact CG2-CD1 3.93Å; V149-F259 HydrophobicContact CG2-CG 4.41Å; V149-R260 CarbonylContact C-O 3.46Å; V149-R260 VanDerWaalsContact CA-O 3.32Å; V149-R260 WeakPolarHBondContact CA-O 3.25Å; V149-C261 HydrophobicContact CG1-CB 4.26Å; V149-I268 HydrophobicContact CG1-CD1 4.01Å
150R94.4Very high84.5Confident117 Ų11760.4 Ų60.444%0.44234%0.342SS..EExtended strand (participates in β ladder)trans-111.4124.9169.9-179.4171.3-66.2176.5-2.1109.5L152 K197 D198 F259 R260R150-L152 PolarHBondContact O-N 3.42Å; R150-K197 CarbonylContact C-O 3.54Å; R150-K197 WeakPolarHBondContact CA-O 3.45Å; R150-D198 IonicContact CZ-OD1 2.82Å; R150-D198 VanDerWaalsContact CZ-OD1 3.28Å; R150-D198 IonicContact CZ-OD2 3.7Å; R150-D198 IonicContact NE-OD1 2.68Å; R150-D198 PolarHBondContact NE-OD1 2.92Å; R150-D198 IonicContact NE-OD2 3.18Å; R150-D198 IonicContact NH2-OD1 2.68Å; R150-D198 PolarHBondContact NH2-OD1 2.92Å; R150-D198 IonicContact NH2-OD2 3.77Å; R150-D198 PolarHBondContact NH2-OD2 3.16Å; R150-F259 CarbonylContact O-C 3.51Å; R150-F259 VanDerWaalsContact O-CA 3.31Å; R150-F259 WeakPolarHBondContact O-CA 3.41Å; R150-R260 HydrophobicContact CB-CB 4.49Å; R150-R260 PolarHBondContact N-O 3.46Å; R150-R260 PolarHBondContact O-N 3.44Å
151S94.8Very high86.8Confident1 Ų160 Ų601%0.00733%0.325CS..EExtended strand (participates in β ladder)trans-64.7129174.6-175.90000110.2G153 W193 G194 G196 K197S151-G153 PolarHBondContact OG-N 3.32Å; S151-W193 VanDerWaalsContact CB-O 3.3Å; S151-W193 WeakPolarHBondContact CB-O 3.29Å; S151-W193 PolarHBondContact OG-O 3.44Å; S151-G194 WeakPolarHBondContact CB-O 3.33Å; S151-G194 PolarHBondContact OG-O 2.84Å; S151-G196 PolarHBondContact O-N 2.79Å; S151-K197 PolarHBondContact N-O 3.11Å
152L92.1Very high88.8Confident14 Ų1455.7 Ų55.77%0.07330%0.302CS..EExtended strand (participates in β ladder)trans-100.86171.3-57.9-173.9000111.8R150 L178 V258 R260R150-L152 PolarHBondContact O-N 3.42Å; L152-L178 HydrophobicContact CB-CB 4.17Å; L152-V258 HydrophobicContact CB-CB 4.29Å; L152-V258 HydrophobicContact CB-CG1 4.28Å; L152-V258 HydrophobicContact CD1-CG1 3.97Å; L152-V258 HydrophobicContact CG-CG1 4.49Å; L152-V258 PolarHBondContact N-O 2.88Å; L152-R260 HydrophobicContact CD1-CB 4.19Å; L152-R260 HydrophobicContact CD2-CB 4.14Å; L152-R260 HydrophobicContact CG-CB 4.2Å
153G92.1Very high90Very high8 Ų850.5 Ų50.58%0.08227%0.271CS..EExtended strand (participates in β ladder)trans93.1-157.5-176.600000113.2S151 V258S151-G153 PolarHBondContact OG-N 3.32Å; G153-V258 PolarHBondContact O-N 2.89Å
154W93.4Very high90.7Very high74 Ų7453.9 Ų53.928%0.2828%0.282SS..EExtended strand (participates in β ladder)trans-146.1155.8-17561.2-89000112.6E156 D187 K255 C256 H257W154-E156 HydrophobicContact CZ3-CB 4.31Å; W154-D187 WeakPolarHBondContact CZ2-OD2 3.17Å; W154-D187 PolarHBondContact NE1-OD2 2.77Å; W154-K255 HydrophobicContact CD2-CD 4.04Å; W154-K255 HydrophobicContact CD2-CG 4.3Å; W154-K255 HydrophobicContact CE3-CB 4.24Å; W154-K255 HydrophobicContact CE3-CD 3.93Å; W154-K255 HydrophobicContact CE3-CG 3.75Å; W154-K255 HydrophobicContact CZ3-CD 4.24Å; W154-K255 HydrophobicContact CZ3-CG 4.08Å; W154-C256 CarbonylContact C-O 3.54Å; W154-C256 WeakPolarHBondContact CA-O 3.42Å; W154-C256 WeakPolarHBondContact CB-O 3.39Å; W154-H257 WeakPolarHBondContact CB-ND1 3.34Å
155V93Very high90.4Very high26 Ų2654.7 Ų54.716%0.15830%0.303CS..EExtended strand (participates in β ladder)trans-123.5138174-176.20000108.8M157 C174 L178 C256V155-M157 HydrophobicContact CG1-SD 4.4Å; V155-C174 HydrophobicContact CG2-CB 4.46Å; V155-L178 HydrophobicContact CG2-CD1 3.78Å; V155-L178 HydrophobicContact CG2-CD2 3.99Å; V155-L178 HydrophobicContact CG2-CG 3.77Å; V155-C256 PolarHBondContact N-O 2.79Å; V155-C256 PolarHBondContact O-N 2.8Å
156E94Very high90Very high112 Ų11259.3 Ų59.352%0.52332%0.319SS..EExtended strand (participates in β ladder)trans-69.5136.2171.1179.9175-167.200110.4W154 M253 L254W154-E156 HydrophobicContact CZ3-CB 4.31Å; E156-M253 HydrophobicContact CB-CE 4.17Å; E156-M253 HydrophobicContact CG-CE 3.76Å; E156-M253 VanDerWaalsContact OE1-CE 3.24Å; E156-M253 WeakPolarHBondContact OE1-CE 3.38Å; E156-M253 WeakPolarHBondContact OE2-CE 3.47Å; E156-L254 WeakPolarHBondContact CA-O 3.17Å
157M91.1Very high89.8Confident10 Ų1057.3 Ų57.35%0.04931%0.305CS..EExtended strand (participates in β ladder)trans-119.3151.4179.9-55.6-55.8-62.700110.5V155 E161 A170 C174 V245 L254 C256V155-M157 HydrophobicContact CG1-SD 4.4Å; M157-E161 WeakPolarHBondContact CA-OE2 3.46Å; M157-E161 HydrophobicContact CE-CB 4.05Å; M157-E161 VanDerWaalsContact CE-OE2 3.3Å; M157-E161 WeakPolarHBondContact CE-OE2 3.29Å; M157-A170 HydrophobicContact CE-CB 3.66Å; M157-C174 PolarHBondContact SD-SG 2.93Å; M157-V245 HydrophobicContact CG-CG1 4.35Å; M157-L254 HydrophobicContact CB-CB 4.03Å; M157-L254 PolarHBondContact N-O 2.79Å; M157-L254 WeakPolarHBondContact O-CB 3.28Å; M157-C256 HydrophobicContact CG-CB 3.65Å; M157-C256 HydrophobicContact SD-CB 3.82Å
158T91.6Very high89.4Confident62 Ų6258.9 Ų58.938%0.3832%0.319SS..  trans-96.5163.5168.785.10000111.8E160 E161 L162T158-E160 VanDerWaalsContact C-N 3.27Å; T158-E160 WeakPolarHBondContact CB-OE2 3.36Å; T158-E160 PolarHBondContact O-N 3.49Å; T158-E160 PolarHBondContact OG1-N 2.96Å; T158-E160 PolarHBondContact OG1-OE2 3.15Å; T158-E161 PolarHBondContact N-OE2 3.42Å; T158-E161 PolarHBondContact O-N 2.96Å; T158-L162 PolarHBondContact O-N 2.78Å
159E87.8Confident89.1Confident82 Ų8261.4 Ų61.438%0.38333%0.331SS..THydrogen-bonded Turntrans-67.2-31.5179-172.169.7-152.400111.2E161 L162 A163 R228 R247 L254E159-E161 VanDerWaalsContact C-N 3.34Å; E159-E161 PolarHBondContact O-N 2.89Å; E159-L162 PolarHBondContact O-N 3.15Å; E159-A163 PolarHBondContact O-N 3.04Å; E159-R228 IonicContact OE1-CZ 3.28Å; E159-R228 IonicContact OE1-NH1 3.39Å; E159-R228 PolarHBondContact OE1-NH1 3.17Å; E159-R228 IonicContact OE1-NH2 2.73Å; E159-R228 PolarHBondContact OE1-NH2 2.81Å; E159-R228 IonicContact OE2-CZ 3.99Å; E159-R228 IonicContact OE2-NH1 2.61Å; E159-R228 PolarHBondContact OE2-NH1 2.91Å; E159-R228 IonicContact OE2-NH2 2.96Å; E159-R247 IonicContact OE2-NH2 3.86Å; E159-L254 HydrophobicContact CB-CD1 4.45Å
160E86.3Confident88.9Confident120 Ų12061.7 Ų61.756%0.56134%0.335SS*.THydrogen-bonded Turntrans-67-33.6178.5-57.470.6-147.900112.4T158 L162 A163T158-E160 VanDerWaalsContact C-N 3.27Å; T158-E160 WeakPolarHBondContact CB-OE2 3.36Å; T158-E160 PolarHBondContact O-N 3.49Å; T158-E160 PolarHBondContact OG1-N 2.96Å; T158-E160 PolarHBondContact OG1-OE2 3.15Å; E160-L162 VanDerWaalsContact C-N 3.32Å; E160-A163 VanDerWaalsContact O-CB 3.26Å; E160-A163 WeakPolarHBondContact O-CB 3.35Å; E160-A163 PolarHBondContact O-N 2.8Å
161E84.8Confident88.9Confident81 Ų8156.3 Ų56.338%0.37932%0.315SS..THydrogen-bonded Turntrans-72.2-28.7176.5-67.4176.5141.500112.1M157 T158 E159 A163 R166 S167 A170M157-E161 WeakPolarHBondContact CA-OE2 3.46Å; M157-E161 HydrophobicContact CE-CB 4.05Å; M157-E161 VanDerWaalsContact CE-OE2 3.3Å; M157-E161 WeakPolarHBondContact CE-OE2 3.29Å; T158-E161 PolarHBondContact N-OE2 3.42Å; T158-E161 PolarHBondContact O-N 2.96Å; E159-E161 VanDerWaalsContact C-N 3.34Å; E159-E161 PolarHBondContact O-N 2.89Å; E161-A163 VanDerWaalsContact C-N 3.28Å; E161-R166 CarbonylContact O-C 3.52Å; E161-S167 VanDerWaalsContact O-CA 3.27Å; E161-S167 WeakPolarHBondContact O-CA 3.47Å; E161-S167 PolarHBondContact O-N 2.77Å; E161-A170 HydrophobicContact CB-CB 4.1Å
162L86.9Confident88.7Confident11 Ų1157 Ų576%0.05832%0.318CS..THydrogen-bonded Turntrans-85.82.5176.6-58.9-176.8000113.5T158 E159 E160 R228 V229 V245 L254T158-L162 PolarHBondContact O-N 2.78Å; E159-L162 PolarHBondContact O-N 3.15Å; E160-L162 VanDerWaalsContact C-N 3.32Å; L162-R228 HydrophobicContact CD1-CB 4.38Å; L162-V229 HydrophobicContact CD2-CG2 4.23Å; L162-V245 HydrophobicContact CD1-CG1 3.66Å; L162-V245 HydrophobicContact CD2-CB 4.34Å; L162-V245 HydrophobicContact CD2-CG1 4Å; L162-V245 HydrophobicContact CD2-CG2 4.08Å; L162-V245 HydrophobicContact CG-CG1 4.47Å; L162-L254 HydrophobicContact CD1-CB 4.38Å; L162-L254 HydrophobicContact CD1-CD1 3.66Å; L162-L254 HydrophobicContact CD1-CD2 3.89Å; L162-L254 HydrophobicContact CD1-CG 4.18Å
163A81.9Confident88.7Confident32 Ų3260 Ų6026%0.26433%0.334SS..SBendtrans-58.6147.6175.700000111.8E159 E160 E161 G165 R166 S167E159-A163 PolarHBondContact O-N 3.04Å; E160-A163 VanDerWaalsContact O-CB 3.26Å; E160-A163 WeakPolarHBondContact O-CB 3.35Å; E160-A163 PolarHBondContact O-N 2.8Å; E161-A163 VanDerWaalsContact C-N 3.28Å; A163-G165 PolarHBondContact O-N 3.28Å; A163-R166 PolarHBondContact O-N 3.4Å; A163-S167 PolarHBondContact O-N 2.98Å; A163-S167 VanDerWaalsContact O-N 3.1Å
164P81.3Confident88.8Confident134 Ų13459.8 Ų59.887%0.8733%0.331SS*.THydrogen-bonded Turntrans-52.7131.5175.5-25.834.6000111.9R166P164-R166 VanDerWaalsContact C-N 3.3Å; P164-R166 PolarHBondContact O-N 2.83Å
165G79.4Confident88.7Confident70 Ų7056.3 Ų56.372%0.72232%0.318SS*.THydrogen-bonded Turntrans86.9-16.6-176.500000115.1A163A163-G165 PolarHBondContact O-N 3.28Å
166R83.5Confident88.6Confident165 Ų16559.9 Ų59.962%0.62333%0.329SS*.THydrogen-bonded Turntrans-105.2-33.4175.3-64.4-175.1176.7179.4-1.6112.9E161 A163 P164 S168 V169 A170E161-R166 CarbonylContact O-C 3.52Å; A163-R166 PolarHBondContact O-N 3.4Å; P164-R166 VanDerWaalsContact C-N 3.3Å; P164-R166 PolarHBondContact O-N 2.83Å; R166-S168 VanDerWaalsContact C-N 3.31Å; R166-S168 PolarHBondContact O-N 3.3Å; R166-V169 WeakPolarHBondContact O-CB 3.25Å; R166-V169 PolarHBondContact O-N 2.87Å; R166-A170 PolarHBondContact O-N 3.41Å
167S89.3Confident88.5Confident22 Ų2259.4 Ų59.415%0.15433%0.327CS..Hα-helixtrans-55.3-38.1-174.161.50000115E161 A163 V169 A170 V171E161-S167 VanDerWaalsContact O-CA 3.27Å; E161-S167 WeakPolarHBondContact O-CA 3.47Å; E161-S167 PolarHBondContact O-N 2.77Å; A163-S167 PolarHBondContact O-N 2.98Å; A163-S167 VanDerWaalsContact O-N 3.1Å; S167-V169 VanDerWaalsContact C-N 3.33Å; S167-V169 PolarHBondContact O-N 2.89Å; S167-A170 PolarHBondContact O-N 3.45Å; S167-V171 WeakPolarHBondContact O-CB 3.24Å; S167-V171 VanDerWaalsContact O-CG2 3.3Å; S167-V171 WeakPolarHBondContact O-CG2 3.48Å; S167-V171 PolarHBondContact O-N 3.06Å
168S88.4Confident88.3Confident59 Ų5959.9 Ų59.941%0.41333%0.33SS..Hα-helixtrans-67.2-34.3177.959.20000113R166 N172R166-S168 VanDerWaalsContact C-N 3.31Å; R166-S168 PolarHBondContact O-N 3.3Å; S168-N172 WeakPolarHBondContact O-CB 3.49Å; S168-N172 PolarHBondContact O-N 3.22Å
169V89.3Confident87.9Confident85 Ų8558.1 Ų58.152%0.51532%0.32SS..Hα-helixtrans-72.2-46177179.10000109.1R166 S167 N172 N173R166-V169 WeakPolarHBondContact O-CB 3.25Å; R166-V169 PolarHBondContact O-N 2.87Å; S167-V169 VanDerWaalsContact C-N 3.33Å; S167-V169 PolarHBondContact O-N 2.89Å; V169-N172 PolarHBondContact O-N 3.31Å; V169-N173 WeakPolarHBondContact O-CB 3.28Å; V169-N173 VanDerWaalsContact O-CG 3.27Å; V169-N173 PolarHBondContact O-N 2.9Å
170A91.8Very high87.3Confident11 Ų1162.8 Ų62.89%0.09134%0.335CS..Hα-helixtrans-57.9-50.817800000111.9M157 E161 R166 S167 N172 N173 C174M157-A170 HydrophobicContact CE-CB 3.66Å; E161-A170 HydrophobicContact CB-CB 4.1Å; R166-A170 PolarHBondContact O-N 3.41Å; S167-A170 PolarHBondContact O-N 3.45Å; A170-N172 VanDerWaalsContact C-N 3.33Å; A170-N172 PolarHBondContact O-N 3.39Å; A170-N173 WeakPolarHBondContact O-CB 3.1Å; A170-N173 PolarHBondContact O-N 3.36Å; A170-N173 VanDerWaalsContact O-N 3.15Å; A170-C174 PolarHBondContact O-N 3.11Å; A170-C174 PolarHBondContact O-SG 3.48Å
171V93.4Very high86.3Confident4 Ų462 Ų622%0.02433%0.331CS..Hα-helixtrans-60.7-41.6177.6171.10000112S167 N173 C174 I175 V229 A243 V245S167-V171 WeakPolarHBondContact O-CB 3.24Å; S167-V171 VanDerWaalsContact O-CG2 3.3Å; S167-V171 WeakPolarHBondContact O-CG2 3.48Å; S167-V171 PolarHBondContact O-N 3.06Å; V171-N173 VanDerWaalsContact C-N 3.34Å; V171-C174 PolarHBondContact O-N 3.19Å; V171-I175 HydrophobicContact CG1-CD1 4.27Å; V171-I175 WeakPolarHBondContact O-CG1 3.31Å; V171-I175 PolarHBondContact O-N 2.86Å; V171-I175 VanDerWaalsContact O-N 3.08Å; V171-V229 HydrophobicContact CG2-CB 4.46Å; V171-V229 HydrophobicContact CG2-CG1 3.88Å; V171-A243 HydrophobicContact CG1-CB 3.76Å; V171-V245 HydrophobicContact CG2-CG2 3.88Å
172N92Very high85.1Confident15 Ų1566.1 Ų66.18%0.0835%0.348CS..Hα-helixtrans-65.5-40.2177.8-161.2-62.9000111.2S168 V169 A170 C174 I175 R176S168-N172 WeakPolarHBondContact O-CB 3.49Å; S168-N172 PolarHBondContact O-N 3.22Å; V169-N172 PolarHBondContact O-N 3.31Å; A170-N172 VanDerWaalsContact C-N 3.33Å; A170-N172 PolarHBondContact O-N 3.39Å; N172-C174 PolarHBondContact O-N 3.37Å; N172-I175 WeakPolarHBondContact O-CB 3.39Å; N172-I175 PolarHBondContact O-N 3.17Å; N172-I175 VanDerWaalsContact O-N 3.16Å; N172-R176 WeakPolarHBondContact O-CG 3.38Å; N172-R176 PolarHBondContact O-N 2.85Å; N172-R176 PolarHBondContact OD1-NE 3.41Å
173N92.3Very high83.5Confident76 Ų7669.7 Ų69.741%0.40637%0.367SS..Hα-helixtrans-59.3-42.9173.7-72.4-14.3000112V169 A170 V171 I175 R176 Q177V169-N173 WeakPolarHBondContact O-CB 3.28Å; V169-N173 VanDerWaalsContact O-CG 3.27Å; V169-N173 PolarHBondContact O-N 2.9Å; A170-N173 WeakPolarHBondContact O-CB 3.1Å; A170-N173 PolarHBondContact O-N 3.36Å; A170-N173 VanDerWaalsContact O-N 3.15Å; V171-N173 VanDerWaalsContact C-N 3.34Å; N173-I175 VanDerWaalsContact C-N 3.33Å; N173-I175 PolarHBondContact O-N 3.08Å; N173-R176 WeakPolarHBondContact O-CB 3.34Å; N173-R176 PolarHBondContact O-N 3.21Å; N173-R176 VanDerWaalsContact O-N 3.15Å; N173-Q177 WeakPolarHBondContact O-CB 3.39Å; N173-Q177 PolarHBondContact O-N 3.01Å
174C93.1Very high82Confident4 Ų475.1 Ų75.13%0.02739%0.392CS..Hα-helixtrans-59.9-43.5173.9-55.90000112V155 M157 A170 V171 N172 R176 Q177 L178 C256 V258V155-C174 HydrophobicContact CG2-CB 4.46Å; M157-C174 PolarHBondContact SD-SG 2.93Å; A170-C174 PolarHBondContact O-N 3.11Å; A170-C174 PolarHBondContact O-SG 3.48Å; V171-C174 PolarHBondContact O-N 3.19Å; N172-C174 PolarHBondContact O-N 3.37Å; C174-R176 VanDerWaalsContact C-N 3.31Å; C174-R176 PolarHBondContact O-N 3.28Å; C174-Q177 PolarHBondContact O-N 2.87Å; C174-L178 PolarHBondContact O-N 3.43Å; C174-C256 HydrophobicContact CB-CB 4.2Å; C174-C256 WeakPolarHBondContact CB-SG 3.41Å; C174-C256 VanDerWaalsContact SG-SG 3.62Å; C174-V258 HydrophobicContact CB-CG2 4.28Å
175I92.5Very high80.5Confident1 Ų176 Ų761%0.00539%0.388CS..Hα-helixtrans-60-43.6175.4-67.9169.4000110.2V171 N172 N173 S179 R238 D241 A243 V258V171-I175 HydrophobicContact CG1-CD1 4.27Å; V171-I175 WeakPolarHBondContact O-CG1 3.31Å; V171-I175 PolarHBondContact O-N 2.86Å; V171-I175 VanDerWaalsContact O-N 3.08Å; N172-I175 WeakPolarHBondContact O-CB 3.39Å; N172-I175 PolarHBondContact O-N 3.17Å; N172-I175 VanDerWaalsContact O-N 3.16Å; N173-I175 VanDerWaalsContact C-N 3.33Å; N173-I175 PolarHBondContact O-N 3.08Å; I175-S179 WeakPolarHBondContact O-CB 3.41Å; I175-S179 PolarHBondContact O-N 3.44Å; I175-S179 PolarHBondContact O-OG 2.97Å; I175-R238 HydrophobicContact CG2-CB 4.47Å; I175-D241 HydrophobicContact CG2-CB 3.53Å; I175-A243 HydrophobicContact CD1-CB 3.9Å; I175-A243 HydrophobicContact CG1-CB 3.81Å; I175-V258 HydrophobicContact CG1-CG1 4.04Å; I175-V258 HydrophobicContact CG1-CG2 4.34Å
176R90.6Very high79.2Confident102 Ų10280.9 Ų80.939%0.38539%0.392SS..Hα-helixtrans-60.4-50176.6-48.8-143.4165.2129.6-15.1111.2N172 N173 C174 S179 Y180 D235N172-R176 WeakPolarHBondContact O-CG 3.38Å; N172-R176 PolarHBondContact O-N 2.85Å; N172-R176 PolarHBondContact OD1-NE 3.41Å; N173-R176 WeakPolarHBondContact O-CB 3.34Å; N173-R176 PolarHBondContact O-N 3.21Å; N173-R176 VanDerWaalsContact O-N 3.15Å; C174-R176 VanDerWaalsContact C-N 3.31Å; C174-R176 PolarHBondContact O-N 3.28Å; R176-S179 PolarHBondContact O-N 3.12Å; R176-Y180 VanDerWaalsContact O-CD2 3.29Å; R176-Y180 WeakPolarHBondContact O-CD2 3.3Å; R176-Y180 PolarHBondContact O-N 3.09Å; R176-D235 IonicContact CZ-OD1 4Å; R176-D235 IonicContact CZ-OD2 3.72Å; R176-D235 IonicContact NE-OD1 3.49Å; R176-D235 IonicContact NE-OD2 2.57Å; R176-D235 PolarHBondContact NE-OD2 2.94Å; R176-D235 IonicContact NH2-OD1 2.72Å; R176-D235 PolarHBondContact NH2-OD1 2.85Å; R176-D235 IonicContact NH2-OD2 2.92Å; R176-D235 PolarHBondContact NH2-OD2 3.46Å
177Q90.3Very high78Confident102 Ų10275.2 Ų75.248%0.47737%0.374SS..Hα-helixtrans-58.9-55.1-176.1-175.1177.6300110.8N173 C174 S179 Y180 H181N173-Q177 WeakPolarHBondContact O-CB 3.39Å; N173-Q177 PolarHBondContact O-N 3.01Å; C174-Q177 PolarHBondContact O-N 2.87Å; Q177-S179 VanDerWaalsContact C-N 3.29Å; Q177-S179 PolarHBondContact O-N 3.15Å; Q177-Y180 PolarHBondContact O-N 3.46Å; Q177-H181 WeakPolarHBondContact O-CB 3.49Å; Q177-H181 PolarHBondContact O-N 2.9Å
178L88.5Confident76.4Confident20 Ų2080.2 Ų80.211%0.10541%0.406CS..Hα-helixtrans-76.9-12.6-176.3-65.3-179.7000114.2L152 V155 C174 V258L152-L178 HydrophobicContact CB-CB 4.17Å; V155-L178 HydrophobicContact CG2-CD1 3.78Å; V155-L178 HydrophobicContact CG2-CD2 3.99Å; V155-L178 HydrophobicContact CG2-CG 3.77Å; C174-L178 PolarHBondContact O-N 3.43Å; L178-V258 HydrophobicContact CB-CB 4.47Å; L178-V258 HydrophobicContact CD1-CB 3.84Å; L178-V258 HydrophobicContact CD1-CG2 3.65Å
179S83.1Confident74.9Confident25 Ų2583.9 Ų83.918%0.17542%0.418CS..Hα-helixtrans-78.7-31.1175-69.10000113.4I175 R176 Q177 D241 R260I175-S179 WeakPolarHBondContact O-CB 3.41Å; I175-S179 PolarHBondContact O-N 3.44Å; I175-S179 PolarHBondContact O-OG 2.97Å; R176-S179 PolarHBondContact O-N 3.12Å; Q177-S179 VanDerWaalsContact C-N 3.29Å; Q177-S179 PolarHBondContact O-N 3.15Å; S179-D241 PolarHBondContact OG-OD2 2.89Å; S179-D241 VanDerWaalsContact OG-OD2 3.11Å; S179-R260 PolarHBondContact OG-NH2 3.48Å
180Y73.7Confident73.6Confident180 Ų18080.3 Ų80.371%0.70640%0.398SS*.Hα-helixtrans-98.8-29.6178.5-67.9-68.1000113.3R176 Q177 K182 R238R176-Y180 VanDerWaalsContact O-CD2 3.29Å; R176-Y180 WeakPolarHBondContact O-CD2 3.3Å; R176-Y180 PolarHBondContact O-N 3.09Å; Q177-Y180 PolarHBondContact O-N 3.46Å; Y180-K182 PolarHBondContact O-N 3.11Å; Y180-R238 VanDerWaalsContact CZ-NH2 3.28Å; Y180-R238 PolarHBondContact OH-NH2 2.97Å
181H67.1Low72Confident104 Ų10482.5 Ų82.548%0.48142%0.421SS..  trans-79.1119.6176.5-116-71.4000110.3Q177 N183Q177-H181 WeakPolarHBondContact O-CB 3.49Å; Q177-H181 PolarHBondContact O-N 2.9Å; H181-N183 PolarHBondContact CE1-OD1 2.82Å; H181-N183 PolarHBondContact ND1-OD1 2.96Å
182K58.4Low70.6Confident167 Ų16784 Ų8473%0.72644%0.437SS*.  trans-101.494.8160.1-170.7175.4-177.1178.90106.6Y180 N184 E195Y180-K182 PolarHBondContact O-N 3.11Å; K182-N184 PolarHBondContact O-N 3Å; K182-E195 WeakPolarHBondContact CA-OE1 3.45Å
183N54.5Low69.8Low86 Ų8684.5 Ų84.546%0.4644%0.438SS..  trans-83.6113.1178.5-95.5-5000108.4H181 L185 E195H181-N183 PolarHBondContact CE1-OD1 2.82Å; H181-N183 PolarHBondContact ND1-OD1 2.96Å; N183-L185 PolarHBondContact O-N 3.3Å; N183-E195 PolarHBondContact N-OE1 3.03Å
184N49Very low68.8Low146 Ų14681.5 Ų81.578%0.78143%0.425SS*.  trans-72.811.7175.1-64.8-52000113.3K182K182-N184 PolarHBondContact O-N 3Å
185L49.4Very low68.2Low151 Ų15184.8 Ų84.879%0.79144%0.44SS*.  trans-91.5109.1174.7-95.883.2000109.4N183 D187N183-L185 PolarHBondContact O-N 3.3Å; L185-D187 PolarHBondContact O-N 3.09Å; L185-D187 VanDerWaalsContact O-N 3.15Å
186H52.8Low67.6Low173 Ų17387.1 Ų87.180%0.80146%0.464SS*.  trans-63112.4172.3-158.5-37.5000109.1P188H186-P188 WeakPolarHBondContact O-CD 3.3Å
187D59Low67.3Low47 Ų4786.1 Ų86.125%0.25146%0.462SS..  trans-66.9114.7171.1179.15.4000108.8W154 L185 M189 A190W154-D187 WeakPolarHBondContact CZ2-OD2 3.17Å; W154-D187 PolarHBondContact NE1-OD2 2.77Å; L185-D187 PolarHBondContact O-N 3.09Å; L185-D187 VanDerWaalsContact O-N 3.15Å; D187-M189 PolarHBondContact O-N 3.04Å; D187-M189 WeakPolarHBondContact OD1-CB 3.24Å; D187-M189 PolarHBondContact OD1-N 3.02Å; D187-A190 HydrophobicContact CB-CB 3.91Å
188P54.9Low67.4Low126 Ų12685 Ų8582%0.81846%0.46SS*.THydrogen-bonded Turntrans-68.9-17.9178.5-14.830.5000112.7H186H186-P188 WeakPolarHBondContact O-CD 3.3Å
189M56.8Low67.7Low136 Ų13684.3 Ų84.367%0.6746%0.456SS*.THydrogen-bonded Turntrans-97.8-3.3-175.2-71.8-89.7-75.600113.4D187 G191 T251D187-M189 PolarHBondContact O-N 3.04Å; D187-M189 WeakPolarHBondContact OD1-CB 3.24Å; D187-M189 PolarHBondContact OD1-N 3.02Å; M189-G191 PolarHBondContact O-N 3.3Å; M189-T251 HydrophobicContact CE-CG2 4.42Å
190A61.6Low68.3Low11 Ų1184.6 Ų84.69%0.09146%0.456CS..SBendtrans-75.113.5-174.300000115.4D187 G192 W193D187-A190 HydrophobicContact CB-CB 3.91Å; A190-G192 PolarHBondContact O-N 3.22Å; A190-W193 VanDerWaalsContact O-CD1 3.31Å; A190-W193 PolarHBondContact O-N 2.97Å; A190-W193 PolarHBondContact O-NE1 3.42Å
191G58.9Low69.4Low56 Ų5676 Ų7658%0.57742%0.422SS*.THydrogen-bonded Turntrans53.624.316900000115.7M189M189-G191 PolarHBondContact O-N 3.3Å
192G64.9Low70.8Confident35 Ų3572.3 Ų72.336%0.36141%0.405SS..THydrogen-bonded Turntrans77.215.2-177.600000116A190 K197A190-G192 PolarHBondContact O-N 3.22Å; G192-K197 WeakPolarHBondContact O-CD 3.45Å; G192-K197 WeakPolarHBondContact O-CE 3.26Å; G192-K197 PolarHBondContact O-NZ 2.99Å
193W74.8Confident72.6Confident26 Ų2664.4 Ų64.410%0.09837%0.371CS..  trans-13121.1174.756.1-87.4000113.4S151 A190 L199 L210 L219 H220 H257 F259S151-W193 VanDerWaalsContact CB-O 3.3Å; S151-W193 WeakPolarHBondContact CB-O 3.29Å; S151-W193 PolarHBondContact OG-O 3.44Å; A190-W193 VanDerWaalsContact O-CD1 3.31Å; A190-W193 PolarHBondContact O-N 2.97Å; A190-W193 PolarHBondContact O-NE1 3.42Å; W193-L199 HydrophobicContact CB-CD1 3.9Å; W193-L199 HydrophobicContact CB-CD2 4.19Å; W193-L210 HydrophobicContact CD2-CD1 3.87Å; W193-L210 HydrophobicContact CE3-CD1 3.5Å; W193-L210 VanDerWaalsContact CE3-CD1 3.5Å; W193-L210 HydrophobicContact CG-CD1 4.35Å; W193-L210 HydrophobicContact CZ3-CD1 3.87Å; W193-L219 HydrophobicContact CB-CB 4.31Å; W193-L219 HydrophobicContact CB-CD1 3.98Å; W193-L219 HydrophobicContact CG-CB 4.47Å; W193-H220 HydrophobicContact CD2-CB 4.43Å; W193-H220 HydrophobicContact CZ2-CB 4.28Å; W193-H220 AromaticContact CZ2-CG 3.86Å; W193-H220 AromaticContact CZ2-ND1 3.75Å; W193-H257 AromaticContact CH2-CE1 3.28Å; W193-H257 WeakPolarHBondContact CH2-CE1 3.17Å; W193-H257 AromaticContact CH2-ND1 3.39Å; W193-H257 WeakPolarHBondContact CH2-ND1 3.44Å; W193-H257 AromaticContact CH2-NE2 3.9Å; W193-H257 AromaticContact CZ3-CE1 3.79Å; W193-H257 AromaticContact CZ3-ND1 3.38Å; W193-H257 WeakPolarHBondContact CZ3-ND1 3.33Å; W193-F259 HydrophobicContact CZ3-CZ 4.42Å
194G71.3Confident74.4Confident13 Ų1362.1 Ų62.113%0.13436%0.357CS..  trans-65.1-174.8177.500000115.2S151 G196 K197S151-G194 WeakPolarHBondContact CB-O 3.33Å; S151-G194 PolarHBondContact OG-O 2.84Å; G194-G196 PolarHBondContact O-N 3.46Å; G194-K197 PolarHBondContact O-N 2.9Å
195E79.3Confident76.3Confident73 Ų7361.1 Ų61.134%0.34135%0.352SS..THydrogen-bonded Turntrans-45.9135.3-176.1-173.1-172.4155.100112.9K182 N183 K197K182-E195 WeakPolarHBondContact CA-OE1 3.45Å; N183-E195 PolarHBondContact N-OE1 3.03Å; E195-K197 VanDerWaalsContact C-N 3.35Å; E195-K197 PolarHBondContact O-N 2.79Å
196G79.8Confident78.2Confident50 Ų5057.8 Ų57.852%0.51533%0.332SS..THydrogen-bonded Turntrans86-5.1174.100000115.5S151 G194S151-G196 PolarHBondContact O-N 2.79Å; G194-G196 PolarHBondContact O-N 3.46Å
197K85.5Confident80.2Confident81 Ų8151 Ų5135%0.35230%0.303SS..  trans-83.3132.7179.6-70.8-167.7170.5-145.40113R150 S151 G192 G194 E195 L199R150-K197 CarbonylContact C-O 3.54Å; R150-K197 WeakPolarHBondContact CA-O 3.45Å; S151-K197 PolarHBondContact N-O 3.11Å; G192-K197 WeakPolarHBondContact O-CD 3.45Å; G192-K197 WeakPolarHBondContact O-CE 3.26Å; G192-K197 PolarHBondContact O-NZ 2.99Å; G194-K197 PolarHBondContact O-N 2.9Å; E195-K197 VanDerWaalsContact C-N 3.35Å; E195-K197 PolarHBondContact O-N 2.79Å; K197-L199 HydrophobicContact CB-CD2 4.5Å; K197-L199 HydrophobicContact CB-CG 4.45Å
198D91.8Very high82Confident79 Ų7948.8 Ų48.842%0.42229%0.291SS..EExtended strand (participates in β ladder)trans-80130.3170-66.2-39.2000109.9R150 P213R150-D198 IonicContact CZ-OD1 2.82Å; R150-D198 VanDerWaalsContact CZ-OD1 3.28Å; R150-D198 IonicContact CZ-OD2 3.7Å; R150-D198 IonicContact NE-OD1 2.68Å; R150-D198 PolarHBondContact NE-OD1 2.92Å; R150-D198 IonicContact NE-OD2 3.18Å; R150-D198 IonicContact NH2-OD1 2.68Å; R150-D198 PolarHBondContact NH2-OD1 2.92Å; R150-D198 IonicContact NH2-OD2 3.77Å; R150-D198 PolarHBondContact NH2-OD2 3.16Å; D198-P213 VanDerWaalsContact O-CD 3.27Å; D198-P213 WeakPolarHBondContact O-CD 3.49Å
199L95.1Very high84Confident5 Ų544.6 Ų44.63%0.02626%0.26CS..EExtended strand (participates in β ladder)trans-140.9157.4-168.6-61.4172.8000110.5V149 W193 K197 L210 L219 F259V149-L199 HydrophobicContact CG2-CB 4.04Å; V149-L199 PolarHBondContact N-O 2.85Å; V149-L199 PolarHBondContact O-N 2.9Å; W193-L199 HydrophobicContact CB-CD1 3.9Å; W193-L199 HydrophobicContact CB-CD2 4.19Å; K197-L199 HydrophobicContact CB-CD2 4.5Å; K197-L199 HydrophobicContact CB-CG 4.45Å; L199-L210 HydrophobicContact CD1-CD1 4.32Å; L199-L219 HydrophobicContact CD2-CD1 3.5Å; L199-L219 VanDerWaalsContact CD2-CD1 3.5Å; L199-F259 HydrophobicContact CD1-CE1 4.29Å
200L95.7Very high85.8Confident31 Ų3138.1 Ų38.116%0.16223%0.228CC..EExtended strand (participates in β ladder)trans-101.3116.5164.4-63177.1000109A148 L210 V211 P213A148-L200 HydrophobicContact CB-CD2 4.48Å; L200-L210 WeakPolarHBondContact O-CA 3.5Å; L200-V211 HydrophobicContact CB-CB 4.24Å; L200-V211 PolarHBondContact N-O 2.88Å; L200-V211 PolarHBondContact O-N 3.39Å; L200-P213 HydrophobicContact CD1-CB 4.47Å; L200-P213 HydrophobicContact CG-CB 4.26Å; L200-P213 HydrophobicContact CG-CG 4.22Å
201L97.1Very high87.4Confident0 Ų037.9 Ų37.90%023%0.226CC..EExtended strand (participates in β ladder)trans-89112.9170.3-171.5158.7000108.4C146 F147 V149 L203 L208 K209 L210 F242 I268C146-L201 CarbonylContact C-O 3.42Å; C146-L201 WeakPolarHBondContact CA-O 2.82Å; F147-L201 HydrophobicContact CB-CB 4.45Å; F147-L201 HydrophobicContact CD2-CD2 4.04Å; F147-L201 WeakPolarHBondContact CD2-O 3.42Å; F147-L201 PolarHBondContact N-O 3.06Å; F147-L201 PolarHBondContact O-N 2.76Å; V149-L201 HydrophobicContact CG1-CB 4.09Å; V149-L201 HydrophobicContact CG2-CB 3.87Å; L201-L203 HydrophobicContact CD2-CD2 3.87Å; L201-L203 HydrophobicContact CD2-CG 4.09Å; L201-L208 HydrophobicContact CD1-CD1 4.21Å; L201-L208 HydrophobicContact CD1-CD2 4.36Å; L201-L208 HydrophobicContact CD1-CG 4.42Å; L201-L208 HydrophobicContact CD2-CD1 4.27Å; L201-L208 HydrophobicContact CD2-CG 4.09Å; L201-L208 HydrophobicContact CG-CD1 4.39Å; L201-L208 HydrophobicContact CG-CD2 4.16Å; L201-L208 HydrophobicContact CG-CG 4.12Å; L201-K209 WeakPolarHBondContact CA-O 3.43Å; L201-L210 HydrophobicContact CB-CD2 4.19Å; L201-L210 HydrophobicContact CD1-CD2 4.32Å; L201-L210 HydrophobicContact CG-CD2 4.15Å; L201-F242 HydrophobicContact CD1-CD1 4.22Å; L201-F242 HydrophobicContact CD1-CE1 4.19Å; L201-I268 HydrophobicContact CD1-CD1 4.36Å; L201-I268 HydrophobicContact CD2-CG2 4.08Å
202Q96.3Very high89Confident26 Ų2637.9 Ų37.912%0.12121%0.21CC..EExtended strand (participates in β ladder)trans-111.7131.8-178.6-66.6175.5-3.100110.3I144 K145 C146 L208 K209I144-Q202 HydrophobicContact CG2-CB 4.49Å; K145-Q202 CarbonylContact O-C 3.57Å; K145-Q202 WeakPolarHBondContact O-CA 3.32Å; C146-Q202 HydrophobicContact CB-CG 4.13Å; Q202-L208 CarbonylContact O-C 3.59Å; Q202-L208 WeakPolarHBondContact O-CA 3.44Å; Q202-K209 HydrophobicContact CB-CB 4.28Å; Q202-K209 PolarHBondContact N-O 2.99Å; Q202-K209 PolarHBondContact O-N 3.21Å
203L95.6Very high90.2Very high2 Ų238.1 Ų38.11%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-104.9106.4170.7-56.4178.3000107.8K145 F147 L201 L208 I224 L272 I275K145-L203 HydrophobicContact CB-CB 4.38Å; K145-L203 PolarHBondContact N-O 3.35Å; K145-L203 PolarHBondContact O-N 2.63Å; F147-L203 HydrophobicContact CE2-CD1 3.99Å; F147-L203 HydrophobicContact CE2-CG 4.29Å; L201-L203 HydrophobicContact CD2-CD2 3.87Å; L201-L203 HydrophobicContact CD2-CG 4.09Å; L203-L208 HydrophobicContact CD2-CB 3.95Å; L203-L208 HydrophobicContact CD2-CD1 4.18Å; L203-L208 HydrophobicContact CD2-CG 3.95Å; L203-I224 HydrophobicContact CD2-CD1 4.34Å; L203-L272 HydrophobicContact CD1-CD2 4.12Å; L203-L272 HydrophobicContact CD1-CG 3.98Å; L203-L272 HydrophobicContact CD2-CD2 3.56Å; L203-L272 HydrophobicContact CD2-CG 4.14Å; L203-L272 HydrophobicContact CG-CD2 4.49Å; L203-I275 HydrophobicContact CB-CD1 3.72Å; L203-I275 HydrophobicContact CD1-CD1 4.09Å; L203-I275 HydrophobicContact CG-CD1 4.43Å
204E92.6Very high90.8Very high38 Ų3844.2 Ų44.218%0.17824%0.235CC..EExtended strand (participates in β ladder)trans-147.3140.8-175.4-179.3-178.5-145.400109.5I144 E206 T207 K209I144-E204 HydrophobicContact CD1-CG 4.31Å; I144-E204 WeakPolarHBondContact CD1-OE1 3.43Å; I144-E204 HydrophobicContact CG1-CB 4.26Å; I144-E204 HydrophobicContact CG1-CG 3.88Å; I144-E204 WeakPolarHBondContact CG1-OE1 3.38Å; I144-E204 HydrophobicContact CG2-CB 4.29Å; E204-E206 VanDerWaalsContact C-N 3.3Å; E204-E206 PolarHBondContact O-N 3.01Å; E204-T207 PolarHBondContact N-O 3Å; E204-T207 CarbonylContact O-C 3.59Å; E204-T207 WeakPolarHBondContact O-CA 3.38Å; E204-T207 WeakPolarHBondContact O-CB 3.32Å; E204-T207 PolarHBondContact O-N 2.81Å; E204-K209 IonicContact OE2-NZ 2.77Å; E204-K209 PolarHBondContact OE2-NZ 2.89Å
205D88.1Confident91.7Very high125 Ų12547.7 Ų47.767%0.66825%0.251SS*.THydrogen-bonded Turntrans47.949.8175.6-57-32.3000113.4T207D205-T207 PolarHBondContact O-N 3.34Å; D205-T207 PolarHBondContact O-OG1 3.42Å
206E91.2Very high92.2Very high80 Ų8049.5 Ų49.537%0.37426%0.259SS..THydrogen-bonded Turntrans56.822.1-179.6-52.9-172.8163.700114.2E204 I224 I275 I279E204-E206 VanDerWaalsContact C-N 3.3Å; E204-E206 PolarHBondContact O-N 3.01Å; E206-I224 VanDerWaalsContact O-CB 3.25Å; E206-I224 WeakPolarHBondContact O-CB 3.34Å; E206-I224 WeakPolarHBondContact O-CG1 3.33Å; E206-I224 PolarHBondContact O-N 3.27Å; E206-I275 HydrophobicContact CG-CG2 4.5Å; E206-I279 HydrophobicContact CB-CD1 4.02Å; E206-I279 VanDerWaalsContact CD-CG1 3.46Å; E206-I279 HydrophobicContact CG-CD1 3.98Å; E206-I279 HydrophobicContact CG-CG1 4.02Å; E206-I279 VanDerWaalsContact OE1-CG1 3.29Å; E206-I279 WeakPolarHBondContact OE1-CG1 3.45Å
207T94Very high92.7Very high31 Ų3149.9 Ų49.919%0.1925%0.252CS..EExtended strand (participates in β ladder)trans-129.7137.2-175.8-54.10000109.9E204 D205 K209 A221E204-T207 PolarHBondContact N-O 3Å; E204-T207 CarbonylContact O-C 3.59Å; E204-T207 WeakPolarHBondContact O-CA 3.38Å; E204-T207 WeakPolarHBondContact O-CB 3.32Å; E204-T207 PolarHBondContact O-N 2.81Å; D205-T207 PolarHBondContact O-N 3.34Å; D205-T207 PolarHBondContact O-OG1 3.42Å; T207-K209 HydrophobicContact CG2-CG 4.12Å; T207-A221 HydrophobicContact CG2-CB 4.04Å
208L96.8Very high93Very high0 Ų050.8 Ų50.80%026%0.26CS..EExtended strand (participates in β ladder)trans-88.7117.2167.7-176.4160.4000108.1L201 Q202 L203 L210 A221 Q222 I224 I227 Y244L201-L208 HydrophobicContact CD1-CD1 4.21Å; L201-L208 HydrophobicContact CD1-CD2 4.36Å; L201-L208 HydrophobicContact CD1-CG 4.42Å; L201-L208 HydrophobicContact CD2-CD1 4.27Å; L201-L208 HydrophobicContact CD2-CG 4.09Å; L201-L208 HydrophobicContact CG-CD1 4.39Å; L201-L208 HydrophobicContact CG-CD2 4.16Å; L201-L208 HydrophobicContact CG-CG 4.12Å; Q202-L208 CarbonylContact O-C 3.59Å; Q202-L208 WeakPolarHBondContact O-CA 3.44Å; L203-L208 HydrophobicContact CD2-CB 3.95Å; L203-L208 HydrophobicContact CD2-CD1 4.18Å; L203-L208 HydrophobicContact CD2-CG 3.95Å; L208-L210 HydrophobicContact CD2-CD2 4.06Å; L208-L210 HydrophobicContact CD2-CG 4.28Å; L208-A221 WeakPolarHBondContact O-CA 3.44Å; L208-Q222 HydrophobicContact CB-CB 4.41Å; L208-Q222 PolarHBondContact N-O 3.44Å; L208-Q222 PolarHBondContact O-N 2.82Å; L208-I224 HydrophobicContact CB-CG1 4.45Å; L208-I227 HydrophobicContact CB-CD1 4.45Å; L208-I227 HydrophobicContact CD1-CD1 4.16Å; L208-Y244 HydrophobicContact CD1-CD1 4.08Å; L208-Y244 HydrophobicContact CD1-CE1 4.18Å; L208-Y244 HydrophobicContact CD2-CE1 4.13Å
209K96Very high93Very high39 Ų3949.2 Ų49.217%0.1725%0.251CS..EExtended strand (participates in β ladder)trans-110.2138.4-179.7-60.9177.3-171.1173.40109.8L201 Q202 E204 T207 V211 L218 H220 A221L201-K209 WeakPolarHBondContact CA-O 3.43Å; Q202-K209 HydrophobicContact CB-CB 4.28Å; Q202-K209 PolarHBondContact N-O 2.99Å; Q202-K209 PolarHBondContact O-N 3.21Å; E204-K209 IonicContact OE2-NZ 2.77Å; E204-K209 PolarHBondContact OE2-NZ 2.89Å; T207-K209 HydrophobicContact CG2-CG 4.12Å; K209-V211 HydrophobicContact CB-CG2 4.36Å; K209-L218 HydrophobicContact CB-CD1 3.74Å; K209-L218 HydrophobicContact CD-CD1 4.18Å; K209-L218 HydrophobicContact CG-CD1 4.01Å; K209-H220 CarbonylContact C-O 3.6Å; K209-H220 WeakPolarHBondContact CA-O 3.42Å; K209-A221 HydrophobicContact CG-CB 4.48Å
210L95.6Very high92.8Very high0 Ų051.2 Ų51.20%026%0.26CS..EExtended strand (participates in β ladder)trans-106.9121.1168-58178.3000108W193 L199 L200 L201 L208 L219 H220 F259W193-L210 HydrophobicContact CD2-CD1 3.87Å; W193-L210 HydrophobicContact CE3-CD1 3.5Å; W193-L210 VanDerWaalsContact CE3-CD1 3.5Å; W193-L210 HydrophobicContact CG-CD1 4.35Å; W193-L210 HydrophobicContact CZ3-CD1 3.87Å; L199-L210 HydrophobicContact CD1-CD1 4.32Å; L200-L210 WeakPolarHBondContact O-CA 3.5Å; L201-L210 HydrophobicContact CB-CD2 4.19Å; L201-L210 HydrophobicContact CD1-CD2 4.32Å; L201-L210 HydrophobicContact CG-CD2 4.15Å; L208-L210 HydrophobicContact CD2-CD2 4.06Å; L208-L210 HydrophobicContact CD2-CG 4.28Å; L210-L219 PolarHBondContact O-N 3.17Å; L210-H220 HydrophobicContact CB-CB 4.05Å; L210-H220 HydrophobicContact CD1-CB 4.03Å; L210-H220 HydrophobicContact CG-CB 4.22Å; L210-H220 PolarHBondContact N-O 3Å; L210-H220 PolarHBondContact O-N 2.99Å; L210-F259 HydrophobicContact CD1-CE1 3.95Å; L210-F259 HydrophobicContact CD1-CZ 3.9Å; L210-F259 HydrophobicContact CD2-CE1 4.02Å; L210-F259 HydrophobicContact CD2-CZ 4.2Å
211V94.4Very high92.7Very high6 Ų651.6 Ų51.64%0.03627%0.268CS..EExtended strand (participates in β ladder)trans-123.7139.8-173.2178.10000109.5L200 K209 Q216 T217 L218L200-V211 HydrophobicContact CB-CB 4.24Å; L200-V211 PolarHBondContact N-O 2.88Å; L200-V211 PolarHBondContact O-N 3.39Å; K209-V211 HydrophobicContact CB-CG2 4.36Å; V211-Q216 VanDerWaalsContact CG1-C 3.45Å; V211-Q216 HydrophobicContact CG1-CB 4.29Å; V211-T217 CarbonylContact C-O 3.58Å; V211-T217 VanDerWaalsContact CA-O 3.3Å; V211-T217 WeakPolarHBondContact CA-O 3.41Å; V211-L218 HydrophobicContact CG2-CD1 4.12Å
212E92.5Very high92.6Very high55 Ų5552.2 Ų52.226%0.25727%0.271SS..  trans-72.1128.5174.4-174.9164-111.600110.6Q214 N215 Q216 T217 L219E212-Q214 PolarHBondContact O-N 3.26Å; E212-N215 WeakPolarHBondContact CB-OD1 3.4Å; E212-N215 PolarHBondContact OE2-ND2 3.49Å; E212-N215 PolarHBondContact OE2-OD1 3.19Å; E212-Q216 VanDerWaalsContact O-CA 3.28Å; E212-Q216 WeakPolarHBondContact O-CA 3.29Å; E212-Q216 PolarHBondContact O-N 3.03Å; E212-T217 WeakPolarHBondContact CB-OG1 3.48Å; E212-T217 PolarHBondContact N-O 3.22Å; E212-T217 PolarHBondContact OE2-OG1 3.13Å; E212-L219 HydrophobicContact CB-CD1 4.17Å; E212-L219 HydrophobicContact CB-CD2 4.47Å; E212-L219 HydrophobicContact CB-CG 4.35Å
213P90.6Very high92.5Very high41 Ų4152.8 Ų52.827%0.26628%0.277SS..THydrogen-bonded Turntrans-61.5-37.4-172.3-24.132.9000114.7D198 L200 Q216D198-P213 VanDerWaalsContact O-CD 3.27Å; D198-P213 WeakPolarHBondContact O-CD 3.49Å; L200-P213 HydrophobicContact CD1-CB 4.47Å; L200-P213 HydrophobicContact CG-CB 4.26Å; L200-P213 HydrophobicContact CG-CG 4.22Å; P213-Q216 PolarHBondContact O-NE2 3.05Å
214Q88.3Confident92.3Very high154 Ų15452.8 Ų52.872%0.7228%0.277SS*.THydrogen-bonded Turntrans-78.3-43.2-169.3-65.177.41300113.5E212E212-Q214 PolarHBondContact O-N 3.26Å
215N89.5Confident92.1Very high86 Ų8653.6 Ų53.646%0.4628%0.284SS..THydrogen-bonded Turntrans-114.21.9-174.663.413.1000113.4E212 T217E212-N215 WeakPolarHBondContact CB-OD1 3.4Å; E212-N215 PolarHBondContact OE2-ND2 3.49Å; E212-N215 PolarHBondContact OE2-OD1 3.19Å; N215-T217 HydrophobicContact CB-CG2 4.24Å; N215-T217 WeakPolarHBondContact ND2-CG2 3.2Å; N215-T217 PolarHBondContact O-N 3.44Å; N215-T217 VanDerWaalsContact OD1-CB 3.31Å; N215-T217 WeakPolarHBondContact OD1-CB 3.46Å; N215-T217 WeakPolarHBondContact OD1-CG2 3.34Å; N215-T217 PolarHBondContact OD1-N 3.42Å; N215-T217 PolarHBondContact OD1-OG1 3.49Å
216Q88.9Confident92.2Very high110 Ų11050 Ų5051%0.51427%0.269SS..  trans57.328.3-178.1-60.5-71-50.300113.5V211 E212 P213V211-Q216 VanDerWaalsContact CG1-C 3.45Å; V211-Q216 HydrophobicContact CG1-CB 4.29Å; E212-Q216 VanDerWaalsContact O-CA 3.28Å; E212-Q216 WeakPolarHBondContact O-CA 3.29Å; E212-Q216 PolarHBondContact O-N 3.03Å; P213-Q216 PolarHBondContact O-NE2 3.05Å
217T91.3Very high92.3Very high58 Ų5846.9 Ų46.936%0.35626%0.255SS..  trans-75133.1177.355.70000111.2V211 E212 N215 L219V211-T217 CarbonylContact C-O 3.58Å; V211-T217 VanDerWaalsContact CA-O 3.3Å; V211-T217 WeakPolarHBondContact CA-O 3.41Å; E212-T217 WeakPolarHBondContact CB-OG1 3.48Å; E212-T217 PolarHBondContact N-O 3.22Å; E212-T217 PolarHBondContact OE2-OG1 3.13Å; N215-T217 HydrophobicContact CB-CG2 4.24Å; N215-T217 WeakPolarHBondContact ND2-CG2 3.2Å; N215-T217 PolarHBondContact O-N 3.44Å; N215-T217 VanDerWaalsContact OD1-CB 3.31Å; N215-T217 WeakPolarHBondContact OD1-CB 3.46Å; N215-T217 WeakPolarHBondContact OD1-CG2 3.34Å; N215-T217 PolarHBondContact OD1-N 3.42Å; N215-T217 PolarHBondContact OD1-OG1 3.49Å; T217-L219 PolarHBondContact O-N 2.83Å
218L91.7Very high92.1Very high101 Ų10149.3 Ų49.353%0.52926%0.26SS..EExtended strand (participates in β ladder)trans-75.1113.2175.3-179.767000109.8K209 V211 H220 A221K209-L218 HydrophobicContact CB-CD1 3.74Å; K209-L218 HydrophobicContact CD-CD1 4.18Å; K209-L218 HydrophobicContact CG-CD1 4.01Å; V211-L218 HydrophobicContact CG2-CD1 4.12Å; L218-H220 WeakPolarHBondContact CD1-O 3.32Å; L218-A221 HydrophobicContact CD2-CB 4.43Å
219L91.6Very high92Very high46 Ų4650.5 Ų50.524%0.24127%0.268CS..EExtended strand (participates in β ladder)trans-92.7-38.3179.7-56.7-178.8000112W193 L199 L210 E212 T217W193-L219 HydrophobicContact CB-CB 4.31Å; W193-L219 HydrophobicContact CB-CD1 3.98Å; W193-L219 HydrophobicContact CG-CB 4.47Å; L199-L219 HydrophobicContact CD2-CD1 3.5Å; L199-L219 VanDerWaalsContact CD2-CD1 3.5Å; L210-L219 PolarHBondContact O-N 3.17Å; E212-L219 HydrophobicContact CB-CD1 4.17Å; E212-L219 HydrophobicContact CB-CD2 4.47Å; E212-L219 HydrophobicContact CB-CG 4.35Å; T217-L219 PolarHBondContact O-N 2.83Å
220H91.7Very high92Very high47 Ų4752.2 Ų52.222%0.21827%0.273CS..EExtended strand (participates in β ladder)trans-150146.7-178.6-173.172.3000111.7W193 K209 L210 L218W193-H220 HydrophobicContact CD2-CB 4.43Å; W193-H220 HydrophobicContact CZ2-CB 4.28Å; W193-H220 AromaticContact CZ2-CG 3.86Å; W193-H220 AromaticContact CZ2-ND1 3.75Å; K209-H220 CarbonylContact C-O 3.6Å; K209-H220 WeakPolarHBondContact CA-O 3.42Å; L210-H220 HydrophobicContact CB-CB 4.05Å; L210-H220 HydrophobicContact CD1-CB 4.03Å; L210-H220 HydrophobicContact CG-CB 4.22Å; L210-H220 PolarHBondContact N-O 3Å; L210-H220 PolarHBondContact O-N 2.99Å; L218-H220 WeakPolarHBondContact CD1-O 3.32Å
221A93.7Very high91.9Very high39 Ų3953 Ų5332%0.32228%0.281SS..EExtended strand (participates in β ladder)trans-137.7118.2175.200000110.4T207 L208 K209 L218T207-A221 HydrophobicContact CG2-CB 4.04Å; L208-A221 WeakPolarHBondContact O-CA 3.44Å; K209-A221 HydrophobicContact CG-CB 4.48Å; L218-A221 HydrophobicContact CD2-CB 4.43Å
222Q94.5Very high91.9Very high13 Ų1354.4 Ų54.46%0.06129%0.29CS..EExtended strand (participates in β ladder)trans-116.9111-177.7176.654.46200109.8L208 I224 I227 Y244 A246L208-Q222 HydrophobicContact CB-CB 4.41Å; L208-Q222 PolarHBondContact N-O 3.44Å; L208-Q222 PolarHBondContact O-N 2.82Å; Q222-I224 PolarHBondContact O-N 2.88Å; Q222-I227 HydrophobicContact CG-CD1 4.22Å; Q222-I227 HydrophobicContact CG-CG1 3.77Å; Q222-Y244 HydrophobicContact CG-CE2 3.9Å; Q222-A246 HydrophobicContact CG-CB 4.18Å; Q222-A246 VanDerWaalsContact OE1-CB 3.31Å
223P93.2Very high91.8Very high38 Ų3852 Ų5225%0.24728%0.28CS..EExtended strand (participates in β ladder)trans-56.2129.5173.2-25.234.3000110.8V225 S226P223-V225 HydrophobicContact CB-CG2 4.02Å; P223-V225 PolarHBondContact O-N 3.42Å; P223-S226 WeakPolarHBondContact O-CB 3.3Å; P223-S226 PolarHBondContact O-N 3.47Å
224I91.9Very high91.5Very high2 Ų259.2 Ų59.21%0.0130%0.302CS..G310 helixtrans-62.8-35.4-176.4-69.3171.7000110.4L203 E206 L208 Q222 S226 I227 L272 I275 C276 I279L203-I224 HydrophobicContact CD2-CD1 4.34Å; E206-I224 VanDerWaalsContact O-CB 3.25Å; E206-I224 WeakPolarHBondContact O-CB 3.34Å; E206-I224 WeakPolarHBondContact O-CG1 3.33Å; E206-I224 PolarHBondContact O-N 3.27Å; L208-I224 HydrophobicContact CB-CG1 4.45Å; Q222-I224 PolarHBondContact O-N 2.88Å; I224-S226 PolarHBondContact O-N 3.18Å; I224-S226 VanDerWaalsContact O-N 3.11Å; I224-I227 HydrophobicContact CG1-CD1 4.48Å; I224-I227 WeakPolarHBondContact O-CB 3.42Å; I224-I227 PolarHBondContact O-N 2.81Å; I224-I227 VanDerWaalsContact O-N 3.09Å; I224-L272 HydrophobicContact CD1-CD2 3.78Å; I224-L272 HydrophobicContact CG1-CD2 3.85Å; I224-L272 HydrophobicContact CG2-CD2 4.15Å; I224-I275 HydrophobicContact CD1-CB 4.23Å; I224-I275 HydrophobicContact CD1-CD1 3.84Å; I224-I275 HydrophobicContact CD1-CG2 3.66Å; I224-I275 HydrophobicContact CG2-CG2 4.48Å; I224-C276 WeakPolarHBondContact CG2-SG 3.32Å; I224-I279 HydrophobicContact CG2-CD1 4.44Å
225V88.5Confident91.3Very high55 Ų5553.7 Ų53.733%0.33328%0.277SS..G310 helixtrans-62.3-17175.8-610000114.3P223 I279 P312P223-V225 HydrophobicContact CB-CG2 4.02Å; P223-V225 PolarHBondContact O-N 3.42Å; V225-I279 HydrophobicContact CG1-CD1 3.93Å; V225-I279 HydrophobicContact CG1-CG2 4.03Å; V225-P312 HydrophobicContact CG2-CG 4.12Å
226S90.8Very high90.5Very high49 Ų4955.3 Ų55.334%0.34330%0.295SS..G310 helixtrans-103-2.5179.8-620000112.7P223 I224 R228P223-S226 WeakPolarHBondContact O-CB 3.3Å; P223-S226 PolarHBondContact O-N 3.47Å; I224-S226 PolarHBondContact O-N 3.18Å; I224-S226 VanDerWaalsContact O-N 3.11Å; S226-R228 PolarHBondContact O-N 2.84Å
227I92.5Very high89.9Confident15 Ų1553.5 Ų53.58%0.07731%0.306CS..EExtended strand (participates in β ladder)trans-73.6123.5171-61.2176000108L208 Q222 I224 V229 W230 Y244 L272L208-I227 HydrophobicContact CB-CD1 4.45Å; L208-I227 HydrophobicContact CD1-CD1 4.16Å; Q222-I227 HydrophobicContact CG-CD1 4.22Å; Q222-I227 HydrophobicContact CG-CG1 3.77Å; I224-I227 HydrophobicContact CG1-CD1 4.48Å; I224-I227 WeakPolarHBondContact O-CB 3.42Å; I224-I227 PolarHBondContact O-N 2.81Å; I224-I227 VanDerWaalsContact O-N 3.09Å; I227-V229 WeakPolarHBondContact CG2-O 3.5Å; I227-W230 HydrophobicContact CG2-CE3 3.99Å; I227-Y244 HydrophobicContact CD1-CD2 4.39Å; I227-Y244 HydrophobicContact CG1-CD2 4.25Å; I227-Y244 HydrophobicContact CG2-CD2 4.38Å; I227-L272 HydrophobicContact CD1-CD2 4.48Å
228R90.6Very high89.4Confident81 Ų8151.9 Ų51.931%0.30629%0.293SS..EExtended strand (participates in β ladder)trans-77.1-47.9-177.8-66.2-67.5-58.3-90.7-3.2111.4E159 L162 S226 V245 L254E159-R228 IonicContact OE1-CZ 3.28Å; E159-R228 IonicContact OE1-NH1 3.39Å; E159-R228 PolarHBondContact OE1-NH1 3.17Å; E159-R228 IonicContact OE1-NH2 2.73Å; E159-R228 PolarHBondContact OE1-NH2 2.81Å; E159-R228 IonicContact OE2-CZ 3.99Å; E159-R228 IonicContact OE2-NH1 2.61Å; E159-R228 PolarHBondContact OE2-NH1 2.91Å; E159-R228 IonicContact OE2-NH2 2.96Å; L162-R228 HydrophobicContact CD1-CB 4.38Å; S226-R228 PolarHBondContact O-N 2.84Å; R228-V245 PolarHBondContact N-O 2.88Å; R228-L254 HydrophobicContact CG-CD2 4.13Å
229V93.9Very high89.1Confident26 Ų2653.2 Ų53.216%0.15830%0.297CS..EExtended strand (participates in β ladder)trans-149.4147-174.8-174.30000107.9L162 V171 I227 Y244 V245L162-V229 HydrophobicContact CD2-CG2 4.23Å; V171-V229 HydrophobicContact CG2-CB 4.46Å; V171-V229 HydrophobicContact CG2-CG1 3.88Å; I227-V229 WeakPolarHBondContact CG2-O 3.5Å; V229-Y244 CarbonylContact O-C 3.58Å; V229-Y244 WeakPolarHBondContact O-CA 3.38Å; V229-V245 HydrophobicContact CB-CB 4.45Å; V229-V245 HydrophobicContact CB-CG2 4.38Å; V229-V245 PolarHBondContact O-N 3.03Å
230W95.7Very high89.2Confident74 Ų7456.7 Ų56.728%0.2831%0.307SS..EExtended strand (participates in β ladder)trans-134.5160.7164.365.282.8000110.2I227 F242 A243 L272 H273 C276I227-W230 HydrophobicContact CG2-CE3 3.99Å; W230-F242 HydrophobicContact CB-CE2 4.04Å; W230-F242 HydrophobicContact CB-CZ 4.1Å; W230-F242 HydrophobicContact CG-CE2 4.45Å; W230-A243 CarbonylContact C-O 3.54Å; W230-A243 WeakPolarHBondContact CA-O 3.48Å; W230-A243 WeakPolarHBondContact CB-O 3.45Å; W230-L272 HydrophobicContact CD2-CD1 4.46Å; W230-L272 HydrophobicContact CG-CD1 4.33Å; W230-L272 HydrophobicContact CZ2-CB 4.43Å; W230-H273 HydrophobicContact CZ2-CB 4.31Å; W230-C276 HydrophobicContact CH2-CB 4.08Å; W230-C276 VanDerWaalsContact CH2-SG 3.52Å
231G94.2Very high89.4Confident16 Ų1654.5 Ų54.517%0.16530%0.297CS..EExtended strand (participates in β ladder)trans-158166-177.300000113F242 A243G231-F242 WeakPolarHBondContact O-CD2 3.47Å; G231-A243 PolarHBondContact N-O 3.06Å; G231-A243 PolarHBondContact O-N 3.45Å
232V94.5Very high89.5Confident37 Ų3752.6 Ų52.622%0.22428%0.281CS..EExtended strand (participates in β ladder)trans-125.1143.6175178.50000108R234 D241 F242 A265 A269V232-R234 PolarHBondContact O-N 2.78Å; V232-D241 WeakPolarHBondContact CA-O 3.12Å; V232-F242 HydrophobicContact CG2-CD2 4.44Å; V232-A265 HydrophobicContact CB-CB 4.45Å; V232-A265 HydrophobicContact CG1-CB 3.69Å; V232-A265 HydrophobicContact CG2-CB 4.08Å; V232-A269 HydrophobicContact CG2-CB 3.73Å
233G90Very high89.7Confident5 Ų552 Ų525%0.05228%0.279CS..  trans-59.9132.9175.400000111.2R238 D241G233-R238 VanDerWaalsContact CA-O 3.28Å; G233-R238 WeakPolarHBondContact CA-O 3.24Å; G233-D241 PolarHBondContact N-O 3.44Å
234R84.4Confident89.8Confident192 Ų19250.2 Ų50.273%0.72527%0.267SS*.  trans-100.6-15.9-178.8-62.7-175.8-176.8-172.81.1113.6V232V232-R234 PolarHBondContact O-N 2.78Å
235D83.8Confident90.1Very high37 Ų3750.1 Ų50.120%0.19827%0.266CS..SBendtrans-77.6150.1-178.2-53.7-38.9000110.1R176 G237 R238R176-D235 IonicContact CZ-OD1 4Å; R176-D235 IonicContact CZ-OD2 3.72Å; R176-D235 IonicContact NE-OD1 3.49Å; R176-D235 IonicContact NE-OD2 2.57Å; R176-D235 PolarHBondContact NE-OD2 2.94Å; R176-D235 IonicContact NH2-OD1 2.72Å; R176-D235 PolarHBondContact NH2-OD1 2.85Å; R176-D235 IonicContact NH2-OD2 2.92Å; R176-D235 PolarHBondContact NH2-OD2 3.46Å; D235-G237 PolarHBondContact O-N 2.91Å; D235-R238 PolarHBondContact O-N 3.2Å; D235-R238 IonicContact OD2-CZ 3.94Å; D235-R238 IonicContact OD2-NH1 2.77Å; D235-R238 PolarHBondContact OD2-NH1 2.83Å; D235-R238 IonicContact OD2-NH2 3.25Å
236S72.9Confident90.4Very high121 Ų12147.6 Ų47.685%0.84625%0.251SS*.THydrogen-bonded Turntrans-53.6123.8175.143.30000110.5
237G75.8Confident90.4Very high72 Ų7249.7 Ų49.774%0.74225%0.252SS*.THydrogen-bonded Turntrans89.5-6.3-176.600000115.8D235D235-G237 PolarHBondContact O-N 2.91Å
238R81.6Confident90.2Very high23 Ų2351 Ų519%0.08726%0.259CS..  trans-111.811.9178.4-57.3-156-153.211521.6114.6I175 Y180 G233 D235 R240 D241I175-R238 HydrophobicContact CG2-CB 4.47Å; Y180-R238 VanDerWaalsContact CZ-NH2 3.28Å; Y180-R238 PolarHBondContact OH-NH2 2.97Å; G233-R238 VanDerWaalsContact CA-O 3.28Å; G233-R238 WeakPolarHBondContact CA-O 3.24Å; D235-R238 PolarHBondContact O-N 3.2Å; D235-R238 IonicContact OD2-CZ 3.94Å; D235-R238 IonicContact OD2-NH1 2.77Å; D235-R238 PolarHBondContact OD2-NH1 2.83Å; D235-R238 IonicContact OD2-NH2 3.25Å; R238-R240 PolarHBondContact O-N 3.16Å; R238-D241 VanDerWaalsContact CB-OD2 3.32Å; R238-D241 WeakPolarHBondContact CB-OD2 3.41Å; R238-D241 WeakPolarHBondContact CG-OD2 3.32Å; R238-D241 PolarHBondContact O-N 3.08Å
239E86.3Confident89.7Confident130 Ų13054.7 Ų54.761%0.60728%0.277SS*.THydrogen-bonded Turntrans-62.6-11.5174.3-58.5178.6-177.800113.3A265E239-A265 WeakPolarHBondContact O-CB 3.38Å; E239-A265 PolarHBondContact O-N 2.84Å
240R93.3Very high89.1Confident118 Ų11861 Ų6145%0.44531%0.309SS..THydrogen-bonded Turntrans-96.3-7.9175.5-66.1-175.6-178.1-79.78.4113R238 C261 E262R238-R240 PolarHBondContact O-N 3.16Å; R240-C261 WeakPolarHBondContact CB-O 3.39Å; R240-C261 VanDerWaalsContact O-CB 3.24Å; R240-C261 WeakPolarHBondContact O-CB 3.45Å; R240-C261 PolarHBondContact O-N 2.82Å; R240-C261 PolarHBondContact O-SG 2.82Å; R240-E262 PolarHBondContact NH1-O 3.22Å
241D94.8Very high88.5Confident1 Ų160.1 Ų60.11%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-90.4120.6179.1-57.8-37.9000109.5I175 S179 V232 G233 R238 F259 R260I175-D241 HydrophobicContact CG2-CB 3.53Å; S179-D241 PolarHBondContact OG-OD2 2.89Å; S179-D241 VanDerWaalsContact OG-OD2 3.11Å; V232-D241 WeakPolarHBondContact CA-O 3.12Å; G233-D241 PolarHBondContact N-O 3.44Å; R238-D241 VanDerWaalsContact CB-OD2 3.32Å; R238-D241 WeakPolarHBondContact CB-OD2 3.41Å; R238-D241 WeakPolarHBondContact CG-OD2 3.32Å; R238-D241 PolarHBondContact O-N 3.08Å; D241-F259 CarbonylContact C-O 3.58Å; D241-F259 WeakPolarHBondContact CA-O 3.41Å; D241-R260 WeakPolarHBondContact OD1-CG 3.14Å; D241-R260 IonicContact OD1-CZ 3.82Å; D241-R260 IonicContact OD1-NE 3.81Å; D241-R260 PolarHBondContact OD1-NE 2.68Å; D241-R260 IonicContact OD1-NH2 2.69Å; D241-R260 IonicContact OD2-NH2 3.74Å
242F96.9Very high88.2Confident0 Ų064.5 Ų64.50%033%0.328CS..EExtended strand (participates in β ladder)trans-107.2142.4175.8174-107000109.2L201 W230 G231 V232 Y244 V258 F259 A265 I268 L272L201-F242 HydrophobicContact CD1-CD1 4.22Å; L201-F242 HydrophobicContact CD1-CE1 4.19Å; W230-F242 HydrophobicContact CB-CE2 4.04Å; W230-F242 HydrophobicContact CB-CZ 4.1Å; W230-F242 HydrophobicContact CG-CE2 4.45Å; G231-F242 WeakPolarHBondContact O-CD2 3.47Å; V232-F242 HydrophobicContact CG2-CD2 4.44Å; F242-Y244 HydrophobicContact CE1-CD1 4.01Å; F242-V258 CarbonylContact O-C 3.57Å; F242-V258 WeakPolarHBondContact O-CA 3.39Å; F242-F259 HydrophobicContact CD1-CD2 4.15Å; F242-F259 PolarHBondContact N-O 2.96Å; F242-F259 PolarHBondContact O-N 3.15Å; F242-A265 HydrophobicContact CB-CB 3.81Å; F242-I268 HydrophobicContact CB-CD1 4.39Å; F242-I268 HydrophobicContact CD1-CD1 4.42Å; F242-I268 HydrophobicContact CD1-CG2 4.07Å; F242-I268 HydrophobicContact CD2-CB 4.15Å; F242-I268 HydrophobicContact CD2-CG2 4.02Å; F242-I268 HydrophobicContact CE1-CG2 3.88Å; F242-I268 HydrophobicContact CE2-CB 4.36Å; F242-I268 HydrophobicContact CE2-CG2 3.84Å; F242-I268 HydrophobicContact CG-CB 4.35Å; F242-I268 HydrophobicContact CG-CD1 4.33Å; F242-I268 HydrophobicContact CG-CG2 4.15Å; F242-I268 HydrophobicContact CZ-CG2 3.79Å; F242-L272 HydrophobicContact CE1-CD1 4.39Å; F242-L272 HydrophobicContact CE2-CD1 3.91Å; F242-L272 HydrophobicContact CZ-CD1 3.4Å
243A97.2Very high87.9Confident0 Ų065.2 Ų65.20%033%0.329CS..EExtended strand (participates in β ladder)trans-137.6146.7174.400000111.7V171 I175 W230 G231 H257 V258V171-A243 HydrophobicContact CG1-CB 3.76Å; I175-A243 HydrophobicContact CD1-CB 3.9Å; I175-A243 HydrophobicContact CG1-CB 3.81Å; W230-A243 CarbonylContact C-O 3.54Å; W230-A243 WeakPolarHBondContact CA-O 3.48Å; W230-A243 WeakPolarHBondContact CB-O 3.45Å; G231-A243 PolarHBondContact N-O 3.06Å; G231-A243 PolarHBondContact O-N 3.45Å; A243-H257 WeakPolarHBondContact CA-O 3.42Å; A243-V258 HydrophobicContact CB-CG2 3.96Å
244Y97.2Very high88.1Confident0 Ų065.4 Ų65.40%033%0.329CS..EExtended strand (participates in β ladder)trans-135.9149.9167.978.8-94.5000111L208 Q222 I227 V229 F242 A246 C256 H257 F259L208-Y244 HydrophobicContact CD1-CD1 4.08Å; L208-Y244 HydrophobicContact CD1-CE1 4.18Å; L208-Y244 HydrophobicContact CD2-CE1 4.13Å; Q222-Y244 HydrophobicContact CG-CE2 3.9Å; I227-Y244 HydrophobicContact CD1-CD2 4.39Å; I227-Y244 HydrophobicContact CG1-CD2 4.25Å; I227-Y244 HydrophobicContact CG2-CD2 4.38Å; V229-Y244 CarbonylContact O-C 3.58Å; V229-Y244 WeakPolarHBondContact O-CA 3.38Å; F242-Y244 HydrophobicContact CE1-CD1 4.01Å; Y244-A246 HydrophobicContact CD2-CB 4.13Å; Y244-A246 HydrophobicContact CE2-CB 3.92Å; Y244-C256 WeakPolarHBondContact O-CA 3.2Å; Y244-H257 HydrophobicContact CD1-CB 4.25Å; Y244-H257 HydrophobicContact CE1-CB 3.86Å; Y244-H257 HydrophobicContact CE2-CB 4.46Å; Y244-H257 AromaticContact CE2-CD2 3.71Å; Y244-H257 AromaticContact CZ-CD2 3.71Å; Y244-H257 PolarHBondContact N-O 2.87Å; Y244-H257 PolarHBondContact O-N 3.39Å; Y244-F259 HydrophobicContact CD1-CD2 4.48Å; Y244-F259 AromaticContact CD1-CE2 3.75Å; Y244-F259 HydrophobicContact CD1-CE2 3.75Å; Y244-F259 HydrophobicContact CE1-CD2 4.49Å; Y244-F259 AromaticContact CE1-CE2 3.42Å; Y244-F259 HydrophobicContact CE1-CE2 3.42Å; Y244-F259 VanDerWaalsContact CE1-CE2 3.42Å; Y244-F259 AromaticContact CE1-CZ 3.9Å; Y244-F259 HydrophobicContact CE1-CZ 3.9Å
245V96.7Very high88.6Confident0 Ų057 Ų570%030%0.298CS..EExtended strand (participates in β ladder)trans-113.8125.2177.8-171.20000109.4M157 L162 V171 R228 V229 L254 K255 C256M157-V245 HydrophobicContact CG-CG1 4.35Å; L162-V245 HydrophobicContact CD1-CG1 3.66Å; L162-V245 HydrophobicContact CD2-CB 4.34Å; L162-V245 HydrophobicContact CD2-CG1 4Å; L162-V245 HydrophobicContact CD2-CG2 4.08Å; L162-V245 HydrophobicContact CG-CG1 4.47Å; V171-V245 HydrophobicContact CG2-CG2 3.88Å; R228-V245 PolarHBondContact N-O 2.88Å; V229-V245 HydrophobicContact CB-CB 4.45Å; V229-V245 HydrophobicContact CB-CG2 4.38Å; V229-V245 PolarHBondContact O-N 3.03Å; V245-L254 HydrophobicContact CG1-CB 4.4Å; V245-K255 WeakPolarHBondContact CA-O 3.28Å; V245-C256 HydrophobicContact CG2-CB 3.94Å
246A94.9Very high89.2Confident2 Ų255.3 Ų55.32%0.01729%0.289CS..EExtended strand (participates in β ladder)trans-139.1160.1174.200000110.4Q222 Y244 K255Q222-A246 HydrophobicContact CG-CB 4.18Å; Q222-A246 VanDerWaalsContact OE1-CB 3.31Å; Y244-A246 HydrophobicContact CD2-CB 4.13Å; Y244-A246 HydrophobicContact CE2-CB 3.92Å; A246-K255 PolarHBondContact N-O 2.85Å; A246-K255 VanDerWaalsContact N-O 3.16Å; A246-K255 PolarHBondContact O-N 2.86Å
247R91.3Very high90.3Very high94 Ų9450.1 Ų50.136%0.35525%0.251SS..EExtended strand (participates in β ladder)trans-86.4126.8174.7-171.7173.9-73.1-171.1-1.8109.6E159 Q252 M253 L254E159-R247 IonicContact OE2-NH2 3.86Å; R247-Q252 WeakPolarHBondContact CD-O 3.38Å; R247-Q252 VanDerWaalsContact CD-OE1 3.28Å; R247-Q252 WeakPolarHBondContact CG-O 3.26Å; R247-M253 CarbonylContact C-O 3.56Å; R247-M253 WeakPolarHBondContact CA-O 3.45Å; R247-L254 HydrophobicContact CB-CD2 4.07Å
248D87.7Confident91.2Very high41 Ų4146.7 Ų46.722%0.21922%0.216CC..  trans-64131.4173-170.8-75.4000110.3L250 T251 Q252 M253 K255D248-L250 VanDerWaalsContact C-N 3.32Å; D248-L250 PolarHBondContact O-N 3.47Å; D248-L250 PolarHBondContact OD1-N 3.36Å; D248-T251 WeakPolarHBondContact CB-OG1 3.24Å; D248-T251 PolarHBondContact OD1-N 3.31Å; D248-T251 PolarHBondContact OD1-OG1 3.04Å; D248-Q252 VanDerWaalsContact O-CA 3.24Å; D248-Q252 WeakPolarHBondContact O-CA 3.35Å; D248-Q252 PolarHBondContact O-N 3.38Å; D248-M253 PolarHBondContact N-O 2.98Å; D248-K255 HydrophobicContact CB-CD 4.23Å; D248-K255 IonicContact OD2-NZ 3.32Å; D248-K255 PolarHBondContact OD2-NZ 3.47Å
249K80.6Confident91.9Very high160 Ų16045.6 Ų45.670%0.69621%0.212SC*.THydrogen-bonded Turntrans-67.4-33-175.2-68.7-177.5179.9176.20112.7Q252K249-Q252 PolarHBondContact O-NE2 2.86Å
250L81.4Confident92.3Very high159 Ų15943.9 Ų43.983%0.83220%0.2SC*.THydrogen-bonded Turntrans-89-49.3-174.3-62.1174.9000110.7D248D248-L250 VanDerWaalsContact C-N 3.32Å; D248-L250 PolarHBondContact O-N 3.47Å; D248-L250 PolarHBondContact OD1-N 3.36Å
251T83.9Confident92.3Very high54 Ų5438.5 Ų38.533%0.33118%0.18SC..THydrogen-bonded Turntrans-90.8-10.6-173.869.90000113.6M189 D248 M253M189-T251 HydrophobicContact CE-CG2 4.42Å; D248-T251 WeakPolarHBondContact CB-OG1 3.24Å; D248-T251 PolarHBondContact OD1-N 3.31Å; D248-T251 PolarHBondContact OD1-OG1 3.04Å; T251-M253 HydrophobicContact CG2-SD 4.35Å; T251-M253 PolarHBondContact O-N 3.38Å; T251-M253 WeakPolarHBondContact OG1-CB 3.35Å; T251-M253 VanDerWaalsContact OG1-CG 3.32Å; T251-M253 WeakPolarHBondContact OG1-CG 3.38Å; T251-M253 PolarHBondContact OG1-N 2.93Å; T251-M253 PolarHBondContact OG1-SD 3.29Å; T251-M253 VanDerWaalsContact OG1-SD 3.34Å
252Q86.4Confident92.3Very high109 Ų10945.8 Ų45.851%0.50921%0.214SC..  trans58.79.1-172.3-60.3-63.2-56.100114.5R247 D248 K249R247-Q252 WeakPolarHBondContact CD-O 3.38Å; R247-Q252 VanDerWaalsContact CD-OE1 3.28Å; R247-Q252 WeakPolarHBondContact CG-O 3.26Å; D248-Q252 VanDerWaalsContact O-CA 3.24Å; D248-Q252 WeakPolarHBondContact O-CA 3.35Å; D248-Q252 PolarHBondContact O-N 3.38Å; K249-Q252 PolarHBondContact O-NE2 2.86Å
253M88.6Confident92Very high51 Ų5147.6 Ų47.625%0.25123%0.229SC..  trans-76.3144.3177.5-63.3164.974.900110.7E156 R247 D248 T251E156-M253 HydrophobicContact CB-CE 4.17Å; E156-M253 HydrophobicContact CG-CE 3.76Å; E156-M253 VanDerWaalsContact OE1-CE 3.24Å; E156-M253 WeakPolarHBondContact OE1-CE 3.38Å; E156-M253 WeakPolarHBondContact OE2-CE 3.47Å; R247-M253 CarbonylContact C-O 3.56Å; R247-M253 WeakPolarHBondContact CA-O 3.45Å; D248-M253 PolarHBondContact N-O 2.98Å; T251-M253 HydrophobicContact CG2-SD 4.35Å; T251-M253 PolarHBondContact O-N 3.38Å; T251-M253 WeakPolarHBondContact OG1-CB 3.35Å; T251-M253 VanDerWaalsContact OG1-CG 3.32Å; T251-M253 WeakPolarHBondContact OG1-CG 3.38Å; T251-M253 PolarHBondContact OG1-N 2.93Å; T251-M253 PolarHBondContact OG1-SD 3.29Å; T251-M253 VanDerWaalsContact OG1-SD 3.34Å
254L93.4Very high91.8Very high10 Ų1049.9 Ų49.95%0.05224%0.244CC..EExtended strand (participates in β ladder)trans-83.4123.3170-67.5158000108.5E156 M157 E159 L162 R228 V245 R247E156-L254 WeakPolarHBondContact CA-O 3.17Å; M157-L254 HydrophobicContact CB-CB 4.03Å; M157-L254 PolarHBondContact N-O 2.79Å; M157-L254 WeakPolarHBondContact O-CB 3.28Å; E159-L254 HydrophobicContact CB-CD1 4.45Å; L162-L254 HydrophobicContact CD1-CB 4.38Å; L162-L254 HydrophobicContact CD1-CD1 3.66Å; L162-L254 HydrophobicContact CD1-CD2 3.89Å; L162-L254 HydrophobicContact CD1-CG 4.18Å; R228-L254 HydrophobicContact CG-CD2 4.13Å; V245-L254 HydrophobicContact CG1-CB 4.4Å; R247-L254 HydrophobicContact CB-CD2 4.07Å
255K94.9Very high91.7Very high16 Ų1649.9 Ų49.97%0.0724%0.244CC..EExtended strand (participates in β ladder)trans-116.8124.9-179.9-65.9-179.6178.9170.60109.4W154 V245 A246 D248 H257W154-K255 HydrophobicContact CD2-CD 4.04Å; W154-K255 HydrophobicContact CD2-CG 4.3Å; W154-K255 HydrophobicContact CE3-CB 4.24Å; W154-K255 HydrophobicContact CE3-CD 3.93Å; W154-K255 HydrophobicContact CE3-CG 3.75Å; W154-K255 HydrophobicContact CZ3-CD 4.24Å; W154-K255 HydrophobicContact CZ3-CG 4.08Å; V245-K255 WeakPolarHBondContact CA-O 3.28Å; A246-K255 PolarHBondContact N-O 2.85Å; A246-K255 VanDerWaalsContact N-O 3.16Å; A246-K255 PolarHBondContact O-N 2.86Å; D248-K255 HydrophobicContact CB-CD 4.23Å; D248-K255 IonicContact OD2-NZ 3.32Å; D248-K255 PolarHBondContact OD2-NZ 3.47Å; K255-H257 VanDerWaalsContact CB-NE2 3.3Å; K255-H257 WeakPolarHBondContact CB-NE2 3.48Å
256C96.5Very high91.5Very high0 Ų056.1 Ų56.10%027%0.271CS..EExtended strand (participates in β ladder)trans-88.7104.4168.3-173.90000108.4W154 V155 M157 C174 Y244 V245W154-C256 CarbonylContact C-O 3.54Å; W154-C256 WeakPolarHBondContact CA-O 3.42Å; W154-C256 WeakPolarHBondContact CB-O 3.39Å; V155-C256 PolarHBondContact N-O 2.79Å; V155-C256 PolarHBondContact O-N 2.8Å; M157-C256 HydrophobicContact CG-CB 3.65Å; M157-C256 HydrophobicContact SD-CB 3.82Å; C174-C256 HydrophobicContact CB-CB 4.2Å; C174-C256 WeakPolarHBondContact CB-SG 3.41Å; C174-C256 VanDerWaalsContact SG-SG 3.62Å; Y244-C256 WeakPolarHBondContact O-CA 3.2Å; V245-C256 HydrophobicContact CG2-CB 3.94Å
257H95.7Very high91.4Very high12 Ų1259.1 Ų59.16%0.05629%0.287CS..EExtended strand (participates in β ladder)trans-90.3128.2177.8-63-74.4000109.8W154 W193 A243 Y244 K255 F259W154-H257 WeakPolarHBondContact CB-ND1 3.34Å; W193-H257 AromaticContact CH2-CE1 3.28Å; W193-H257 WeakPolarHBondContact CH2-CE1 3.17Å; W193-H257 AromaticContact CH2-ND1 3.39Å; W193-H257 WeakPolarHBondContact CH2-ND1 3.44Å; W193-H257 AromaticContact CH2-NE2 3.9Å; W193-H257 AromaticContact CZ3-CE1 3.79Å; W193-H257 AromaticContact CZ3-ND1 3.38Å; W193-H257 WeakPolarHBondContact CZ3-ND1 3.33Å; A243-H257 WeakPolarHBondContact CA-O 3.42Å; Y244-H257 HydrophobicContact CD1-CB 4.25Å; Y244-H257 HydrophobicContact CE1-CB 3.86Å; Y244-H257 HydrophobicContact CE2-CB 4.46Å; Y244-H257 AromaticContact CE2-CD2 3.71Å; Y244-H257 AromaticContact CZ-CD2 3.71Å; Y244-H257 PolarHBondContact N-O 2.87Å; Y244-H257 PolarHBondContact O-N 3.39Å; K255-H257 VanDerWaalsContact CB-NE2 3.3Å; K255-H257 WeakPolarHBondContact CB-NE2 3.48Å; H257-F259 HydrophobicContact CB-CE2 3.59Å; H257-F259 HydrophobicContact CB-CZ 3.91Å
258V95.9Very high91.6Very high0 Ų054.7 Ų54.70%027%0.27CS..EExtended strand (participates in β ladder)trans-116.8137.2-176.7-174.70000110.4L152 G153 C174 I175 L178 F242 A243L152-V258 HydrophobicContact CB-CB 4.29Å; L152-V258 HydrophobicContact CB-CG1 4.28Å; L152-V258 HydrophobicContact CD1-CG1 3.97Å; L152-V258 HydrophobicContact CG-CG1 4.49Å; L152-V258 PolarHBondContact N-O 2.88Å; G153-V258 PolarHBondContact O-N 2.89Å; C174-V258 HydrophobicContact CB-CG2 4.28Å; I175-V258 HydrophobicContact CG1-CG1 4.04Å; I175-V258 HydrophobicContact CG1-CG2 4.34Å; L178-V258 HydrophobicContact CB-CB 4.47Å; L178-V258 HydrophobicContact CD1-CB 3.84Å; L178-V258 HydrophobicContact CD1-CG2 3.65Å; F242-V258 CarbonylContact O-C 3.57Å; F242-V258 WeakPolarHBondContact O-CA 3.39Å; A243-V258 HydrophobicContact CB-CG2 3.96Å
259F95.9Very high91.9Very high0 Ų053.4 Ų53.40%027%0.266CS..EExtended strand (participates in β ladder)trans-134135.7-177-56.3-88.9000110.6V149 R150 W193 L199 L210 D241 F242 Y244 H257V149-F259 HydrophobicContact CB-CB 4.11Å; V149-F259 HydrophobicContact CG2-CB 4.36Å; V149-F259 HydrophobicContact CG2-CD1 3.93Å; V149-F259 HydrophobicContact CG2-CG 4.41Å; R150-F259 CarbonylContact O-C 3.51Å; R150-F259 VanDerWaalsContact O-CA 3.31Å; R150-F259 WeakPolarHBondContact O-CA 3.41Å; W193-F259 HydrophobicContact CZ3-CZ 4.42Å; L199-F259 HydrophobicContact CD1-CE1 4.29Å; L210-F259 HydrophobicContact CD1-CE1 3.95Å; L210-F259 HydrophobicContact CD1-CZ 3.9Å; L210-F259 HydrophobicContact CD2-CE1 4.02Å; L210-F259 HydrophobicContact CD2-CZ 4.2Å; D241-F259 CarbonylContact C-O 3.58Å; D241-F259 WeakPolarHBondContact CA-O 3.41Å; F242-F259 HydrophobicContact CD1-CD2 4.15Å; F242-F259 PolarHBondContact N-O 2.96Å; F242-F259 PolarHBondContact O-N 3.15Å; Y244-F259 HydrophobicContact CD1-CD2 4.48Å; Y244-F259 AromaticContact CD1-CE2 3.75Å; Y244-F259 HydrophobicContact CD1-CE2 3.75Å; Y244-F259 HydrophobicContact CE1-CD2 4.49Å; Y244-F259 AromaticContact CE1-CE2 3.42Å; Y244-F259 HydrophobicContact CE1-CE2 3.42Å; Y244-F259 VanDerWaalsContact CE1-CE2 3.42Å; Y244-F259 AromaticContact CE1-CZ 3.9Å; Y244-F259 HydrophobicContact CE1-CZ 3.9Å; H257-F259 HydrophobicContact CB-CE2 3.59Å; H257-F259 HydrophobicContact CB-CZ 3.91Å
260R94.1Very high92.4Very high94 Ų9449.4 Ų49.436%0.35526%0.255SS..EExtended strand (participates in β ladder)trans-92.7123.3169-174.2161.8-65.7143.51.1110V149 R150 L152 S179 D241V149-R260 CarbonylContact C-O 3.46Å; V149-R260 VanDerWaalsContact CA-O 3.32Å; V149-R260 WeakPolarHBondContact CA-O 3.25Å; R150-R260 HydrophobicContact CB-CB 4.49Å; R150-R260 PolarHBondContact N-O 3.46Å; R150-R260 PolarHBondContact O-N 3.44Å; L152-R260 HydrophobicContact CD1-CB 4.19Å; L152-R260 HydrophobicContact CD2-CB 4.14Å; L152-R260 HydrophobicContact CG-CB 4.2Å; S179-R260 PolarHBondContact OG-NH2 3.48Å; D241-R260 WeakPolarHBondContact OD1-CG 3.14Å; D241-R260 IonicContact OD1-CZ 3.82Å; D241-R260 IonicContact OD1-NE 3.81Å; D241-R260 PolarHBondContact OD1-NE 2.68Å; D241-R260 IonicContact OD1-NH2 2.69Å; D241-R260 IonicContact OD2-NH2 3.74Å
261C94.8Very high93Very high6 Ų642.3 Ų42.34%0.04122%0.219CC..EExtended strand (participates in β ladder)trans-99.6142.2-172.5-51.50000111.5V149 R240 A263 I268V149-C261 HydrophobicContact CG1-CB 4.26Å; R240-C261 WeakPolarHBondContact CB-O 3.39Å; R240-C261 VanDerWaalsContact O-CB 3.24Å; R240-C261 WeakPolarHBondContact O-CB 3.45Å; R240-C261 PolarHBondContact O-N 2.82Å; R240-C261 PolarHBondContact O-SG 2.82Å; C261-A263 VanDerWaalsContact C-N 3.32Å; C261-A263 CarbonylContact C-O 3.49Å; C261-A263 WeakPolarHBondContact CB-O 3.4Å; C261-I268 HydrophobicContact CB-CD1 4.49Å; C261-I268 WeakPolarHBondContact SG-CD1 3.24Å
262E93.3Very high93.4Very high153 Ų15339.8 Ų39.872%0.71520%0.203SC*.SBendtrans-70.6-31.4171.2-68.9-170.6168.600112.4A148 R240A148-E262 HydrophobicContact CB-CB 4.28Å; A148-E262 HydrophobicContact CB-CG 3.98Å; A148-E262 WeakPolarHBondContact CB-OE2 3.45Å; A148-E262 PolarHBondContact O-N 2.76Å; A148-E262 VanDerWaalsContact O-N 3.08Å; R240-E262 PolarHBondContact NH1-O 3.22Å
263A92Very high93.6Very high38 Ų3839.8 Ų39.831%0.31420%0.203SC..SBendtrans-95.6165.2170.500000110.9C261 A265C261-A263 VanDerWaalsContact C-N 3.32Å; C261-A263 CarbonylContact C-O 3.49Å; C261-A263 WeakPolarHBondContact CB-O 3.4Å; A263-A265 PolarHBondContact O-N 3.09Å
264P93Very high93.6Very high49 Ų4942 Ų4232%0.31821%0.213SC..  trans-54.8127.1172.4-27.236.7000111.6K266 N267P264-K266 HydrophobicContact CB-CD 4.38Å; P264-K266 HydrophobicContact CB-CG 3.9Å; P264-K266 PolarHBondContact O-N 2.77Å; P264-K266 VanDerWaalsContact O-N 3.09Å; P264-N267 WeakPolarHBondContact O-CB 3.29Å; P264-N267 PolarHBondContact O-N 2.87Å
265A94.3Very high93.5Very high0 Ų043.1 Ų43.10%022%0.218CC..THydrogen-bonded Turntrans-63.7-21.2-175.300000112.8V232 E239 F242 A263 N267 I268 A269V232-A265 HydrophobicContact CB-CB 4.45Å; V232-A265 HydrophobicContact CG1-CB 3.69Å; V232-A265 HydrophobicContact CG2-CB 4.08Å; E239-A265 WeakPolarHBondContact O-CB 3.38Å; E239-A265 PolarHBondContact O-N 2.84Å; F242-A265 HydrophobicContact CB-CB 3.81Å; A263-A265 PolarHBondContact O-N 3.09Å; A265-N267 PolarHBondContact O-N 2.88Å; A265-N267 VanDerWaalsContact O-N 3.15Å; A265-I268 PolarHBondContact O-N 2.79Å; A265-I268 VanDerWaalsContact O-N 3.12Å; A265-A269 PolarHBondContact O-N 3.46Å
266K92.7Very high93.1Very high130 Ų13043.3 Ų43.357%0.56522%0.221SC*.Hα-helixtrans-52.9-32.3170.271.5-179.3-177.3-178.70112.8P264 I268 A269 T270P264-K266 HydrophobicContact CB-CD 4.38Å; P264-K266 HydrophobicContact CB-CG 3.9Å; P264-K266 PolarHBondContact O-N 2.77Å; P264-K266 VanDerWaalsContact O-N 3.09Å; K266-I268 VanDerWaalsContact C-N 3.32Å; K266-I268 PolarHBondContact O-N 2.69Å; K266-A269 PolarHBondContact O-N 2.64Å; K266-T270 WeakPolarHBondContact O-CB 3.3Å; K266-T270 PolarHBondContact O-N 3.46Å; K266-T270 PolarHBondContact O-OG1 3.22Å
267N93.8Very high92.6Very high65 Ų6546 Ų4635%0.34824%0.24SC..Hα-helixtrans-65.2-38.4-178.8-63.4-0.3000111.5F147 P264 A265 S271F147-N267 HydrophobicContact CE1-CB 3.95Å; P264-N267 WeakPolarHBondContact O-CB 3.29Å; P264-N267 PolarHBondContact O-N 2.87Å; A265-N267 PolarHBondContact O-N 2.88Å; A265-N267 VanDerWaalsContact O-N 3.15Å; N267-S271 VanDerWaalsContact O-CB 3.29Å; N267-S271 WeakPolarHBondContact O-CB 3.35Å; N267-S271 PolarHBondContact O-N 2.77Å; N267-S271 VanDerWaalsContact O-N 3.08Å; N267-S271 PolarHBondContact O-OG 2.61Å
268I94.6Very high92.2Very high1 Ų151.2 Ų51.21%0.00526%0.263CS..Hα-helixtrans-67.9-48.2175.2-55.5-176.9000109.5F147 V149 L201 F242 C261 A265 K266 T270 S271 L272F147-I268 HydrophobicContact CB-CD1 3.89Å; F147-I268 HydrophobicContact CB-CG1 4.11Å; F147-I268 HydrophobicContact CD1-CD1 4.36Å; F147-I268 HydrophobicContact CD1-CG1 3.67Å; F147-I268 HydrophobicContact CD2-CD1 4.32Å; F147-I268 HydrophobicContact CD2-CG1 3.83Å; F147-I268 HydrophobicContact CE1-CG1 3.98Å; F147-I268 HydrophobicContact CE2-CG1 4.13Å; F147-I268 HydrophobicContact CG-CD1 3.94Å; F147-I268 HydrophobicContact CG-CG1 3.59Å; F147-I268 HydrophobicContact CZ-CG1 4.2Å; V149-I268 HydrophobicContact CG1-CD1 4.01Å; L201-I268 HydrophobicContact CD1-CD1 4.36Å; L201-I268 HydrophobicContact CD2-CG2 4.08Å; F242-I268 HydrophobicContact CB-CD1 4.39Å; F242-I268 HydrophobicContact CD1-CD1 4.42Å; F242-I268 HydrophobicContact CD1-CG2 4.07Å; F242-I268 HydrophobicContact CD2-CB 4.15Å; F242-I268 HydrophobicContact CD2-CG2 4.02Å; F242-I268 HydrophobicContact CE1-CG2 3.88Å; F242-I268 HydrophobicContact CE2-CB 4.36Å; F242-I268 HydrophobicContact CE2-CG2 3.84Å; F242-I268 HydrophobicContact CG-CB 4.35Å; F242-I268 HydrophobicContact CG-CD1 4.33Å; F242-I268 HydrophobicContact CG-CG2 4.15Å; F242-I268 HydrophobicContact CZ-CG2 3.79Å; C261-I268 HydrophobicContact CB-CD1 4.49Å; C261-I268 WeakPolarHBondContact SG-CD1 3.24Å; A265-I268 PolarHBondContact O-N 2.79Å; A265-I268 VanDerWaalsContact O-N 3.12Å; K266-I268 VanDerWaalsContact C-N 3.32Å; K266-I268 PolarHBondContact O-N 2.69Å; I268-T270 PolarHBondContact O-N 3.43Å; I268-S271 PolarHBondContact O-N 3.33Å; I268-L272 HydrophobicContact CG2-CD1 4.19Å; I268-L272 PolarHBondContact O-N 3.11Å
269A93.5Very high91.6Very high15 Ų1551.6 Ų51.612%0.12427%0.265CS..Hα-helixtrans-60.9-43.3-179.600000112.7V232 A265 K266 S271 L272 H273V232-A269 HydrophobicContact CG2-CB 3.73Å; A265-A269 PolarHBondContact O-N 3.46Å; K266-A269 PolarHBondContact O-N 2.64Å; A269-S271 VanDerWaalsContact C-N 3.35Å; A269-L272 PolarHBondContact O-N 2.94Å; A269-H273 WeakPolarHBondContact O-CB 3.14Å; A269-H273 PolarHBondContact O-N 3.18Å
270T91.3Very high90.9Very high75 Ų7557 Ų5746%0.4629%0.291SS..Hα-helixtrans-63.8-42.1174.9-59.70000111.1K266 I268 H273 E274K266-T270 WeakPolarHBondContact O-CB 3.3Å; K266-T270 PolarHBondContact O-N 3.46Å; K266-T270 PolarHBondContact O-OG1 3.22Å; I268-T270 PolarHBondContact O-N 3.43Å; T270-H273 WeakPolarHBondContact O-CB 3.47Å; T270-H273 PolarHBondContact O-N 2.93Å; T270-E274 WeakPolarHBondContact O-CG 3.27Å; T270-E274 PolarHBondContact O-N 3.49Å
271S93.9Very high90.1Very high11 Ų1155.1 Ų55.18%0.07729%0.292CS..Hα-helixtrans-65.3-41.3178.7-63.50000112.8K145 N267 I268 A269 H273 E274 I275K145-S271 VanDerWaalsContact CD-OG 3.25Å; K145-S271 WeakPolarHBondContact CD-OG 3.38Å; K145-S271 PolarHBondContact NZ-OG 2.78Å; K145-S271 VanDerWaalsContact NZ-OG 3.09Å; N267-S271 VanDerWaalsContact O-CB 3.29Å; N267-S271 WeakPolarHBondContact O-CB 3.35Å; N267-S271 PolarHBondContact O-N 2.77Å; N267-S271 VanDerWaalsContact O-N 3.08Å; N267-S271 PolarHBondContact O-OG 2.61Å; I268-S271 PolarHBondContact O-N 3.33Å; A269-S271 VanDerWaalsContact C-N 3.35Å; S271-H273 VanDerWaalsContact C-N 3.33Å; S271-E274 PolarHBondContact O-N 3.41Å; S271-I275 WeakPolarHBondContact O-CG1 3.13Å; S271-I275 PolarHBondContact O-N 3.18Å; S271-I275 VanDerWaalsContact O-N 3.11Å
272L93.3Very high89.2Confident0 Ų059 Ų590%031%0.31CS..Hα-helixtrans-63-40.7171.5-78.9172.5000111.7L203 I224 I227 W230 F242 I268 A269 I275 C276L203-L272 HydrophobicContact CD1-CD2 4.12Å; L203-L272 HydrophobicContact CD1-CG 3.98Å; L203-L272 HydrophobicContact CD2-CD2 3.56Å; L203-L272 HydrophobicContact CD2-CG 4.14Å; L203-L272 HydrophobicContact CG-CD2 4.49Å; I224-L272 HydrophobicContact CD1-CD2 3.78Å; I224-L272 HydrophobicContact CG1-CD2 3.85Å; I224-L272 HydrophobicContact CG2-CD2 4.15Å; I227-L272 HydrophobicContact CD1-CD2 4.48Å; W230-L272 HydrophobicContact CD2-CD1 4.46Å; W230-L272 HydrophobicContact CG-CD1 4.33Å; W230-L272 HydrophobicContact CZ2-CB 4.43Å; F242-L272 HydrophobicContact CE1-CD1 4.39Å; F242-L272 HydrophobicContact CE2-CD1 3.91Å; F242-L272 HydrophobicContact CZ-CD1 3.4Å; I268-L272 HydrophobicContact CG2-CD1 4.19Å; I268-L272 PolarHBondContact O-N 3.11Å; A269-L272 PolarHBondContact O-N 2.94Å; L272-I275 PolarHBondContact O-N 3.3Å; L272-C276 WeakPolarHBondContact O-CB 3.45Å; L272-C276 PolarHBondContact O-N 3.15Å; L272-C276 PolarHBondContact O-SG 3.37Å; L272-C276 VanDerWaalsContact O-SG 3.37Å
273H89.8Confident88.1Confident110 Ų11056.8 Ų56.851%0.50930%0.295SS..Hα-helixtrans-61.8-43.6176.6-174.776.8000112.1W230 A269 T270 S271 C276 S277W230-H273 HydrophobicContact CZ2-CB 4.31Å; A269-H273 WeakPolarHBondContact O-CB 3.14Å; A269-H273 PolarHBondContact O-N 3.18Å; T270-H273 WeakPolarHBondContact O-CB 3.47Å; T270-H273 PolarHBondContact O-N 2.93Å; S271-H273 VanDerWaalsContact C-N 3.33Å; H273-C276 PolarHBondContact O-N 2.82Å; H273-S277 VanDerWaalsContact O-CB 3.24Å; H273-S277 WeakPolarHBondContact O-CB 3.49Å; H273-S277 PolarHBondContact O-N 3.46Å
274E89.6Confident87Confident98 Ų9863.9 Ų63.946%0.45831%0.313SS..Hα-helixtrans-60.2-45.9175.4-74169.3-165.800111.9K145 T270 S271 S277 K278K145-E274 IonicContact NZ-OE2 2.68Å; K145-E274 PolarHBondContact NZ-OE2 3.28Å; T270-E274 WeakPolarHBondContact O-CG 3.27Å; T270-E274 PolarHBondContact O-N 3.49Å; S271-E274 PolarHBondContact O-N 3.41Å; E274-S277 PolarHBondContact O-N 3.44Å; E274-K278 WeakPolarHBondContact O-CB 3.41Å; E274-K278 PolarHBondContact O-N 3.31Å
275I90.2Very high85.4Confident33 Ų3366.3 Ų66.317%0.16932%0.324CS..Hα-helixtrans-64.7-46.5178.1-63.6164.1000110.5L203 E206 I224 S271 L272 S277 K278 I279L203-I275 HydrophobicContact CB-CD1 3.72Å; L203-I275 HydrophobicContact CD1-CD1 4.09Å; L203-I275 HydrophobicContact CG-CD1 4.43Å; E206-I275 HydrophobicContact CG-CG2 4.5Å; I224-I275 HydrophobicContact CD1-CB 4.23Å; I224-I275 HydrophobicContact CD1-CD1 3.84Å; I224-I275 HydrophobicContact CD1-CG2 3.66Å; I224-I275 HydrophobicContact CG2-CG2 4.48Å; S271-I275 WeakPolarHBondContact O-CG1 3.13Å; S271-I275 PolarHBondContact O-N 3.18Å; S271-I275 VanDerWaalsContact O-N 3.11Å; L272-I275 PolarHBondContact O-N 3.3Å; I275-S277 VanDerWaalsContact C-N 3.31Å; I275-S277 PolarHBondContact O-N 2.99Å; I275-K278 WeakPolarHBondContact O-CB 3.2Å; I275-K278 PolarHBondContact O-N 2.88Å; I275-I279 HydrophobicContact CG2-CD1 3.78Å; I275-I279 HydrophobicContact CG2-CG1 4.41Å; I275-I279 VanDerWaalsContact O-CG1 3.26Å; I275-I279 WeakPolarHBondContact O-CG1 3.25Å; I275-I279 PolarHBondContact O-N 2.68Å
276C86.5Confident83.6Confident19 Ų1969.1 Ų69.113%0.12835%0.347CS..Hα-helixtrans-59.2-41.2174.8-77.60000112.3I224 W230 L272 H273 I279 M280I224-C276 WeakPolarHBondContact CG2-SG 3.32Å; W230-C276 HydrophobicContact CH2-CB 4.08Å; W230-C276 VanDerWaalsContact CH2-SG 3.52Å; L272-C276 WeakPolarHBondContact O-CB 3.45Å; L272-C276 PolarHBondContact O-N 3.15Å; L272-C276 PolarHBondContact O-SG 3.37Å; L272-C276 VanDerWaalsContact O-SG 3.37Å; H273-C276 PolarHBondContact O-N 2.82Å; C276-I279 PolarHBondContact O-N 3.32Å; C276-M280 HydrophobicContact CB-CE 4.42Å; C276-M280 WeakPolarHBondContact O-CB 3.42Å; C276-M280 WeakPolarHBondContact O-CE 3.45Å; C276-M280 VanDerWaalsContact O-CG 3.26Å; C276-M280 WeakPolarHBondContact O-CG 3.47Å; C276-M280 PolarHBondContact O-N 2.96Å
277S86.9Confident81.6Confident58 Ų5870.6 Ų70.641%0.40635%0.349SS..Hα-helixtrans-63.7-44.2176.4-171.60000111.3H273 E274 I275 M280 S281H273-S277 VanDerWaalsContact O-CB 3.24Å; H273-S277 WeakPolarHBondContact O-CB 3.49Å; H273-S277 PolarHBondContact O-N 3.46Å; E274-S277 PolarHBondContact O-N 3.44Å; I275-S277 VanDerWaalsContact C-N 3.31Å; I275-S277 PolarHBondContact O-N 2.99Å; S277-M280 PolarHBondContact O-N 3.24Å; S277-S281 WeakPolarHBondContact O-CB 3.3Å; S277-S281 PolarHBondContact O-N 3.02Å; S277-S281 PolarHBondContact O-OG 2.8Å
278K86.3Confident79.3Confident120 Ų12071.6 Ų71.652%0.52236%0.36SS..Hα-helixtrans-57.9-52.9173.7-175.9179.2171.9-1740111E274 I275 M280 S281 E282E274-K278 WeakPolarHBondContact O-CB 3.41Å; E274-K278 PolarHBondContact O-N 3.31Å; I275-K278 WeakPolarHBondContact O-CB 3.2Å; I275-K278 PolarHBondContact O-N 2.88Å; K278-M280 VanDerWaalsContact C-N 3.3Å; K278-M280 PolarHBondContact O-N 3.27Å; K278-S281 PolarHBondContact O-N 2.68Å; K278-S281 PolarHBondContact O-OG 2.77Å; K278-E282 WeakPolarHBondContact CE-OE1 3.35Å; K278-E282 HydrophobicContact CG-CG 4.38Å; K278-E282 IonicContact NZ-OE1 3.43Å; K278-E282 WeakPolarHBondContact O-CG 3.46Å; K278-E282 PolarHBondContact O-N 3.23Å
279I84.6Confident76.9Confident8 Ų878.4 Ų78.44%0.04140%0.396CS..Hα-helixtrans-54.4-45.9176.2-67.4162.4000111E206 I224 V225 I275 C276 R283E206-I279 HydrophobicContact CB-CD1 4.02Å; E206-I279 VanDerWaalsContact CD-CG1 3.46Å; E206-I279 HydrophobicContact CG-CD1 3.98Å; E206-I279 HydrophobicContact CG-CG1 4.02Å; E206-I279 VanDerWaalsContact OE1-CG1 3.29Å; E206-I279 WeakPolarHBondContact OE1-CG1 3.45Å; I224-I279 HydrophobicContact CG2-CD1 4.44Å; V225-I279 HydrophobicContact CG1-CD1 3.93Å; V225-I279 HydrophobicContact CG1-CG2 4.03Å; I275-I279 HydrophobicContact CG2-CD1 3.78Å; I275-I279 HydrophobicContact CG2-CG1 4.41Å; I275-I279 VanDerWaalsContact O-CG1 3.26Å; I275-I279 WeakPolarHBondContact O-CG1 3.25Å; I275-I279 PolarHBondContact O-N 2.68Å; C276-I279 PolarHBondContact O-N 3.32Å; I279-R283 WeakPolarHBondContact O-CB 2.9Å; I279-R283 WeakPolarHBondContact O-CG 3.04Å; I279-R283 PolarHBondContact O-N 3.08Å
280M81.5Confident74.6Confident115 Ų11583.3 Ų83.357%0.56742%0.424SS*.Hα-helixtrans-65.3-39.6178.5-75.3-172.6-71.900112.4C276 S277 K278 R284C276-M280 HydrophobicContact CB-CE 4.42Å; C276-M280 WeakPolarHBondContact O-CB 3.42Å; C276-M280 WeakPolarHBondContact O-CE 3.45Å; C276-M280 VanDerWaalsContact O-CG 3.26Å; C276-M280 WeakPolarHBondContact O-CG 3.47Å; C276-M280 PolarHBondContact O-N 2.96Å; S277-M280 PolarHBondContact O-N 3.24Å; K278-M280 VanDerWaalsContact C-N 3.3Å; K278-M280 PolarHBondContact O-N 3.27Å; M280-R284 WeakPolarHBondContact O-CB 3.41Å; M280-R284 PolarHBondContact O-N 3.2Å
281S76.9Confident72.2Confident53 Ų5386.5 Ų86.537%0.37144%0.438SS..Hα-helixtrans-70.4-40.4178.475.30000112.5S277 K278 R284 N285S277-S281 WeakPolarHBondContact O-CB 3.3Å; S277-S281 PolarHBondContact O-N 3.02Å; S277-S281 PolarHBondContact O-OG 2.8Å; K278-S281 PolarHBondContact O-N 2.68Å; K278-S281 PolarHBondContact O-OG 2.77Å; S281-R284 CarbonylContact O-C 3.57Å; S281-R284 WeakPolarHBondContact O-CB 3.3Å; S281-R284 PolarHBondContact O-N 3.25Å; S281-R284 VanDerWaalsContact O-N 3.13Å; S281-N285 WeakPolarHBondContact O-CB 3.47Å; S281-N285 VanDerWaalsContact O-CG 3.27Å; S281-N285 PolarHBondContact O-N 3.08Å
282E76.4Confident69.4Low87 Ų8788.6 Ų88.641%0.40746%0.462SS..Hα-helixtrans-67.3-40.3176.5-73177.8174.100110.5K278 R284 N285 A286K278-E282 WeakPolarHBondContact CE-OE1 3.35Å; K278-E282 HydrophobicContact CG-CG 4.38Å; K278-E282 IonicContact NZ-OE1 3.43Å; K278-E282 WeakPolarHBondContact O-CG 3.46Å; K278-E282 PolarHBondContact O-N 3.23Å; E282-R284 VanDerWaalsContact C-N 3.3Å; E282-R284 PolarHBondContact O-N 2.94Å; E282-N285 PolarHBondContact O-N 3.42Å; E282-A286 VanDerWaalsContact O-CB 3.24Å; E282-A286 WeakPolarHBondContact O-CB 3.08Å; E282-A286 PolarHBondContact O-N 2.91Å
283R68.9Low66.7Low108 Ų10895.5 Ų95.541%0.40850%0.498SS..Hα-helixtrans-60.7-37.5169.8-74173.5-178.3-169.11112.5I279 R287I279-R283 WeakPolarHBondContact O-CB 2.9Å; I279-R283 WeakPolarHBondContact O-CG 3.04Å; I279-R283 PolarHBondContact O-N 3.08Å; R283-R287 WeakPolarHBondContact O-CG 3.42Å; R283-R287 PolarHBondContact O-N 3.3Å; R283-R287 PolarHBondContact O-NE 2.87Å
284R68.3Low64.7Low186 Ų18696.2 Ų96.270%0.70252%0.515SS*.Hα-helixtrans-69.4-42175.9-176.7179.3-179.8169.2-0.6111.6M280 S281 E282 R287 C288M280-R284 WeakPolarHBondContact O-CB 3.41Å; M280-R284 PolarHBondContact O-N 3.2Å; S281-R284 CarbonylContact O-C 3.57Å; S281-R284 WeakPolarHBondContact O-CB 3.3Å; S281-R284 PolarHBondContact O-N 3.25Å; S281-R284 VanDerWaalsContact O-N 3.13Å; E282-R284 VanDerWaalsContact C-N 3.3Å; E282-R284 PolarHBondContact O-N 2.94Å; R284-R287 PolarHBondContact O-N 3.39Å; R284-C288 PolarHBondContact O-N 3.13Å
285N60.7Low62.2Low101 Ų10198.2 Ų98.254%0.5453%0.528SS..Hα-helixtrans-71.7-39.9-179.4-70.4-10.3000111.9S281 E282 R287 C288 L289S281-N285 WeakPolarHBondContact O-CB 3.47Å; S281-N285 VanDerWaalsContact O-CG 3.27Å; S281-N285 PolarHBondContact O-N 3.08Å; E282-N285 PolarHBondContact O-N 3.42Å; N285-R287 VanDerWaalsContact C-N 3.32Å; N285-R287 PolarHBondContact O-N 3.01Å; N285-C288 CarbonylContact O-C 3.39Å; N285-C288 WeakPolarHBondContact O-CA 3.07Å; N285-C288 WeakPolarHBondContact O-CB 3.47Å; N285-C288 PolarHBondContact O-N 3.1Å; N285-L289 PolarHBondContact O-N 3.45Å
286A56.2Low59.6Low58 Ų58103.5 Ų103.548%0.47956%0.557SS.*Hα-helixtrans-60-41.3172.100000111.6E282 C288 L289 V290E282-A286 VanDerWaalsContact O-CB 3.24Å; E282-A286 WeakPolarHBondContact O-CB 3.08Å; E282-A286 PolarHBondContact O-N 2.91Å; A286-C288 VanDerWaalsContact C-N 3.3Å; A286-C288 PolarHBondContact O-N 3.33Å; A286-L289 PolarHBondContact O-N 3.32Å; A286-V290 VanDerWaalsContact O-CG2 3.3Å; A286-V290 WeakPolarHBondContact O-CG2 3.13Å; A286-V290 PolarHBondContact O-N 2.98Å; A286-V290 VanDerWaalsContact O-N 3.15Å
287R51.3Low57.2Low162 Ų162111.9 Ų111.961%0.61159%0.594SS**Hα-helixtrans-65.2-30.6171.9-70173.9-150.7154.62113.2R283 R284 N285 N291R283-R287 WeakPolarHBondContact O-CG 3.42Å; R283-R287 PolarHBondContact O-N 3.3Å; R283-R287 PolarHBondContact O-NE 2.87Å; R284-R287 PolarHBondContact O-N 3.39Å; N285-R287 VanDerWaalsContact C-N 3.32Å; N285-R287 PolarHBondContact O-N 3.01Å; R287-N291 PolarHBondContact O-N 2.97Å
288C44.5Very low55Low86 Ų86113.1 Ų113.158%0.58160%0.602SS**Hα-helixtrans-74.8-36.8177.2-147.80000111.8R284 N285 A286 V290 N291 G292R284-C288 PolarHBondContact O-N 3.13Å; N285-C288 CarbonylContact O-C 3.39Å; N285-C288 WeakPolarHBondContact O-CA 3.07Å; N285-C288 WeakPolarHBondContact O-CB 3.47Å; N285-C288 PolarHBondContact O-N 3.1Å; A286-C288 VanDerWaalsContact C-N 3.3Å; A286-C288 PolarHBondContact O-N 3.33Å; C288-V290 VanDerWaalsContact C-N 3.31Å; C288-V290 PolarHBondContact O-N 3.21Å; C288-N291 CarbonylContact O-C 3.55Å; C288-N291 PolarHBondContact O-N 2.98Å; C288-G292 PolarHBondContact O-N 3.17Å
289L45.3Very low52.6Low144 Ų144117.1 Ų117.175%0.75462%0.62SS**Hα-helixtrans-65.2-36.2174.3-134.485.7000111.7N285 A286N285-L289 PolarHBondContact O-N 3.45Å; A286-L289 PolarHBondContact O-N 3.32Å
290V44.3Very low50.3Low118 Ų118124.9 Ų124.972%0.71566%0.661SS**Hα-helixtrans-71.8-29.3175.3175.20000112.3A286 C288A286-V290 VanDerWaalsContact O-CG2 3.3Å; A286-V290 WeakPolarHBondContact O-CG2 3.13Å; A286-V290 PolarHBondContact O-N 2.98Å; A286-V290 VanDerWaalsContact O-N 3.15Å; C288-V290 VanDerWaalsContact C-N 3.31Å; C288-V290 PolarHBondContact O-N 3.21Å
291N40.9Very low48.1Very low141 Ų141125.4 Ų125.475%0.75467%0.67SS**Hα-helixtrans-92.8-3.3177.7-74.13.6000114.1R287 C288R287-N291 PolarHBondContact O-N 2.97Å; C288-N291 CarbonylContact O-C 3.55Å; C288-N291 PolarHBondContact O-N 2.98Å
292G34.3Very low46.5Very low56 Ų56129.5 Ų129.558%0.57769%0.687SS**  trans-94.9-6.6-173.100000115.7C288 S294C288-G292 PolarHBondContact O-N 3.17Å; G292-S294 PolarHBondContact O-N 3.02Å; G292-S294 VanDerWaalsContact O-N 3.17Å
293L37.4Very low44.4Very low145 Ų145131.5 Ų131.576%0.75971%0.705SS**  trans-88.679.8174.2-63.9179.1000110.1L295L293-L295 VanDerWaalsContact C-N 3.27Å; L293-L295 PolarHBondContact O-N 2.82Å
294S47.1Very low43.4Very low125 Ų125131 Ų13187%0.87472%0.717SS**  trans-68.997.3142.7179.80000105.9G292G292-S294 PolarHBondContact O-N 3.02Å; G292-S294 VanDerWaalsContact O-N 3.17Å
295L36.8Very low41.5Very low139 Ų139131.4 Ų131.473%0.72872%0.724SS**  trans-138.8121.1168.5-159.668.8000110.9L293L293-L295 VanDerWaalsContact C-N 3.27Å; L293-L295 PolarHBondContact O-N 2.82Å
296D36.1Very low40.5Very low144 Ų144135.9 Ų135.977%0.7774%0.741SS**  trans-27.8124.5167.5-133.2-18.8000114.3S298D296-S298 VanDerWaalsContact C-N 3.27Å; D296-S298 PolarHBondContact O-N 3.48Å
297H37.1Very low39.5Very low195 Ų195137.8 Ų137.890%0.90375%0.747SS**SBendtrans-77.974.3174.6-96.3-74.2000110.1
298S39.5Very low38.7Very low84 Ų84139 Ų13959%0.58776%0.759SS**SBendtrans-166.2115.7154.5320000111.9D296D296-S298 VanDerWaalsContact C-N 3.27Å; D296-S298 PolarHBondContact O-N 3.48Å
299K37.4Very low37.9Very low205 Ų205143.6 Ų143.689%0.89177%0.77SS**  trans82.199.8171.9-46.7171.7-174.7-179.20114.6
300L35.4Very low37.4Very low171 Ų171142.2 Ų142.290%0.89577%0.769SS**  -175.1144.7104.6-158.865.2000111.6
301V34.4Very low37Very low125 Ų125140 Ų14076%0.75876%0.764SS**  trans-41133.6176.4-177.90000116.9
302D44.4Very low36.7Very low139 Ų139137 Ų13774%0.74375%0.752SS**  trans1.9120.1144.8-154.715.6000119.9
303V32.3Very low37.1Very low129 Ų129142.5 Ų142.578%0.78276%0.76SS**  trans-149133.3143.3-176.80000109
304P47.1Very low37.3Very low99 Ų99140.2 Ų140.264%0.64375%0.748SS**  trans-93.1136.6-168.935.6-32.4000112.7
305F29.2Very low37.6Very low194 Ų194139.9 Ų139.985%0.85173%0.733SS**  trans-146.282.2158.3-103-84.3000110.2V307F305-V307 HydrophobicContact CD1-CG2 4.3Å; F305-V307 PolarHBondContact O-N 3.38Å
306Q39.8Very low38.7Very low194 Ų194140.5 Ų140.591%0.90774%0.736SS**  trans-80.296.8156.5-80.5-180-32.200108
307V35.2Very low40.7Very low98 Ų98136 Ų13659%0.59471%0.714SS**  trans-131.886.5150-169.90000106F305 F309F305-V307 HydrophobicContact CD1-CG2 4.3Å; F305-V307 PolarHBondContact O-N 3.38Å; V307-F309 HydrophobicContact CG1-CD2 4.07Å; V307-F309 HydrophobicContact CG1-CE2 4.01Å; V307-F309 PolarHBondContact O-N 3.25Å
308E34.2Very low43.2Very low189 Ų189131.5 Ų131.588%0.88369%0.693SS**  trans-69.898173.4-166.2172.5-173.800108P310E308-P310 WeakPolarHBondContact O-CD 3.32Å
309F28.3Very low45.7Very low181 Ų181132.3 Ų132.379%0.79469%0.686SS**  trans-68.8121.7173.3-98.9-93.7000108.9V307 A311V307-F309 HydrophobicContact CG1-CD2 4.07Å; V307-F309 HydrophobicContact CG1-CE2 4.01Å; V307-F309 PolarHBondContact O-N 3.25Å; F309-A311 PolarHBondContact O-N 3.48Å
310P34.8Very low48.4Very low115 Ų115124.2 Ų124.275%0.74765%0.651SS**  trans-68.7105.1-179.726.5-30.3000108.7E308E308-P310 WeakPolarHBondContact O-CD 3.32Å
311A36.2Very low51.3Low73 Ų73122.5 Ų122.560%0.60364%0.639SS**  trans-54.5143.6168.800000109.4F309 K313F309-A311 PolarHBondContact O-N 3.48Å; A311-K313 PolarHBondContact O-N 3.4Å
312P34.1Very low54.3Low76 Ų76116.8 Ų116.849%0.49460%0.604SS.*  trans-59.4102.4173.2-17.629.1000109.1V225 N314V225-P312 HydrophobicContact CG2-CG 4.12Å; P312-N314 PolarHBondContact O-N 2.69Å
313K41.6Very low56.8Low172 Ų172114.2 Ų114.275%0.74858%0.584SS**  trans-73.274173.7-70174179.5169.30108.5A311A311-K313 PolarHBondContact O-N 3.4Å
314N42.3Very low59.8Low97 Ų97108.9 Ų108.952%0.51955%0.55SS.*  trans-11528.6161.1-160.428.7000110.8P312P312-N314 PolarHBondContact O-N 2.69Å
315E53.7Low62.1Low118 Ų118105.1 Ų105.155%0.55153%0.525SS*.SBendtrans-84.3134.7149.9-69.2-173.3170.900105.7V317E315-V317 HydrophobicContact CB-CG2 3.83Å; E315-V317 WeakPolarHBondContact O-CG2 3.44Å; E315-V317 PolarHBondContact O-N 2.65Å
316L59.9Low65.2Low152 Ų15296.8 Ų96.880%0.79649%0.493SS*.  trans-64.976.9171.8-72.7159.6000108Q318L316-Q318 PolarHBondContact O-N 2.8Å
317V78.6Confident67.7Low51 Ų5191.6 Ų91.631%0.30947%0.472SS..  trans-87.7106179.8179.10000106.9E315 S361 V362 A363E315-V317 HydrophobicContact CB-CG2 3.83Å; E315-V317 WeakPolarHBondContact O-CG2 3.44Å; E315-V317 PolarHBondContact O-N 2.65Å; V317-S361 WeakPolarHBondContact CG1-OG 3.29Å; V317-V362 WeakPolarHBondContact CA-O 3.41Å; V317-A363 HydrophobicContact CG2-CB 4.05Å
318Q88.3Confident70.6Confident99 Ų9988.9 Ų88.946%0.46346%0.455SS..EExtended strand (participates in β ladder)trans-86129.4175.9-63.9179.971.500108.8L316 F320 S361 V362L316-Q318 PolarHBondContact O-N 2.8Å; Q318-F320 HydrophobicContact CB-CD2 4.42Å; Q318-F320 HydrophobicContact CB-CE2 3.45Å; Q318-F320 VanDerWaalsContact CB-CE2 3.45Å; Q318-F320 HydrophobicContact CB-CZ 3.68Å; Q318-S361 CarbonylContact O-C 3.6Å; Q318-S361 WeakPolarHBondContact O-CA 3.31Å; Q318-V362 PolarHBondContact N-O 3Å; Q318-V362 VanDerWaalsContact N-O 3.13Å; Q318-V362 PolarHBondContact O-N 3.3Å
319K92.8Very high73.4Confident102 Ų10285.3 Ų85.344%0.44345%0.449SS..EExtended strand (participates in β ladder)trans-108.4125.7176.9-74.4-170.3172.3-165.40109.7V360 E375K319-V360 WeakPolarHBondContact CA-O 3.37Å; K319-E375 IonicContact NZ-OE1 3.79Å
320F94.7Very high76.6Confident35 Ų3577.6 Ų77.615%0.15442%0.417CS..EExtended strand (participates in β ladder)trans-115.8131.1179.9-59.6-86.1000110.5Q318 H359 V360 V362 L423 A426Q318-F320 HydrophobicContact CB-CD2 4.42Å; Q318-F320 HydrophobicContact CB-CE2 3.45Å; Q318-F320 VanDerWaalsContact CB-CE2 3.45Å; Q318-F320 HydrophobicContact CB-CZ 3.68Å; F320-H359 CarbonylContact O-C 3.57Å; F320-H359 WeakPolarHBondContact O-CA 3.49Å; F320-V360 PolarHBondContact N-O 3.48Å; F320-V360 PolarHBondContact O-N 2.83Å; F320-V362 HydrophobicContact CD2-CG2 3.86Å; F320-V362 HydrophobicContact CE2-CB 4.24Å; F320-V362 HydrophobicContact CE2-CG2 3.73Å; F320-L423 HydrophobicContact CB-CD1 4.12Å; F320-L423 HydrophobicContact CD1-CB 4.46Å; F320-L423 HydrophobicContact CD2-CD1 3.63Å; F320-L423 HydrophobicContact CE2-CD1 4.26Å; F320-L423 HydrophobicContact CG-CB 4.34Å; F320-L423 HydrophobicContact CG-CD1 3.91Å; F320-A426 HydrophobicContact CE1-CB 4.45Å; F320-A426 HydrophobicContact CE2-CB 3.5Å; F320-A426 VanDerWaalsContact CE2-CB 3.5Å; F320-A426 HydrophobicContact CZ-CB 3.37Å
321Q95.7Very high79.2Confident135 Ų13576.7 Ų76.763%0.63142%0.418SS*.EExtended strand (participates in β ladder)trans-78.8125172.3-74.9-1794.100109.8H359Q321-H359 WeakPolarHBondContact CG-CD2 3.27Å; Q321-H359 WeakPolarHBondContact CG-NE2 3.26Å
322V96.4Very high81.8Confident5 Ų578.8 Ų78.83%0.0341%0.414CS..EExtended strand (participates in β ladder)trans-147.9168.9-179.3-63.20000110.5S358 V360 F414 W415 C416 L423V322-S358 PolarHBondContact N-O 3.49Å; V322-S358 CarbonylContact O-C 3.59Å; V322-S358 WeakPolarHBondContact O-CA 3.47Å; V322-S358 PolarHBondContact O-N 3.02Å; V322-V360 HydrophobicContact CG2-CG2 3.63Å; V322-F414 HydrophobicContact CB-CB 4.49Å; V322-F414 HydrophobicContact CG2-CD1 3.88Å; V322-W415 CarbonylContact C-O 3.57Å; V322-W415 WeakPolarHBondContact CA-O 3.5Å; V322-W415 WeakPolarHBondContact CB-O 3.4Å; V322-C416 HydrophobicContact CG1-CB 4.3Å; V322-L423 HydrophobicContact CG1-CD2 3.83Å
323Y96.6Very high84.3Confident85 Ų8576.2 Ų76.233%0.33340%0.397SS..EExtended strand (participates in β ladder)trans-101.8126162.2-61.5-97.7000108.9W355 P357 F414 W415Y323-W355 HydrophobicContact CD1-CB 4.28Å; Y323-W355 HydrophobicContact CG-CB 4.46Å; Y323-P357 HydrophobicContact CD1-CB 4.25Å; Y323-P357 HydrophobicContact CD1-CG 4.19Å; Y323-P357 HydrophobicContact CE1-CB 4.12Å; Y323-P357 HydrophobicContact CE1-CG 4Å; Y323-F414 WeakPolarHBondContact O-CA 3.23Å; Y323-W415 PolarHBondContact N-O 2.86Å; Y323-W415 PolarHBondContact O-N 3.46Å
324Y96.4Very high86.6Confident16 Ų1670.3 Ų70.36%0.06338%0.375CS..EExtended strand (participates in β ladder)trans-82119.8175.2-174.9-129.9000109.5G326 N327 T356 S358 I369 L378 H412 M413 F414Y324-G326 WeakPolarHBondContact CE2-O 3.38Å; Y324-G326 VanDerWaalsContact CZ-CA 3.47Å; Y324-G326 PolarHBondContact OH-O 2.81Å; Y324-N327 WeakPolarHBondContact OH-CB 3.44Å; Y324-N327 PolarHBondContact OH-N 2.82Å; Y324-N327 PolarHBondContact OH-ND2 3.39Å; Y324-T356 PolarHBondContact N-O 3.43Å; Y324-T356 PolarHBondContact O-N 3.11Å; Y324-T356 VanDerWaalsContact O-N 3.09Å; Y324-S358 VanDerWaalsContact CB-OG 3.32Å; Y324-S358 WeakPolarHBondContact CB-OG 3.47Å; Y324-I369 HydrophobicContact CD1-CG2 4.3Å; Y324-I369 HydrophobicContact CD2-CD1 4.3Å; Y324-I369 HydrophobicContact CD2-CG2 4.16Å; Y324-I369 HydrophobicContact CE2-CD1 3.81Å; Y324-I369 HydrophobicContact CG-CG2 4Å; Y324-L378 HydrophobicContact CD1-CB 4.45Å; Y324-L378 HydrophobicContact CD1-CD1 4.2Å; Y324-H412 HydrophobicContact CE2-CB 4.44Å; Y324-H412 AromaticContact CZ-ND1 3.92Å; Y324-H412 PolarHBondContact OH-ND1 3.08Å; Y324-H412 VanDerWaalsContact OH-ND1 3.08Å; Y324-M413 WeakPolarHBondContact CD2-O 3.44Å; Y324-F414 AromaticContact CD2-CD1 3.73Å; Y324-F414 HydrophobicContact CD2-CD1 3.73Å; Y324-F414 AromaticContact CD2-CE1 3.41Å; Y324-F414 HydrophobicContact CD2-CE1 3.41Å; Y324-F414 VanDerWaalsContact CD2-CE1 3.41Å; Y324-F414 HydrophobicContact CD2-CZ 4.06Å; Y324-F414 HydrophobicContact CE2-CD1 4.48Å; Y324-F414 AromaticContact CE2-CE1 3.86Å; Y324-F414 HydrophobicContact CE2-CE1 3.86Å; Y324-F414 HydrophobicContact CE2-CZ 4.04Å; Y324-F414 HydrophobicContact CG-CE1 4.41Å
325L95.3Very high88.7Confident20 Ų2066.2 Ų66.211%0.10536%0.357CS..EExtended strand (participates in β ladder)trans-86-16.4-179-62.9166000111.6L343 V346 L347 W355 M413 W415L325-L343 HydrophobicContact CD1-CD2 3.98Å; L325-V346 HydrophobicContact CB-CG1 4.02Å; L325-L347 HydrophobicContact CD2-CD2 4.29Å; L325-W355 HydrophobicContact CD2-CB 4.41Å; L325-W355 HydrophobicContact CD2-CD2 3.36Å; L325-W355 HydrophobicContact CD2-CE3 3.95Å; L325-W355 HydrophobicContact CD2-CG 3.58Å; L325-W355 HydrophobicContact CD2-CH2 4.41Å; L325-W355 HydrophobicContact CD2-CZ2 3.9Å; L325-W355 HydrophobicContact CD2-CZ3 4.44Å; L325-M413 HydrophobicContact CB-CB 3.9Å; L325-M413 WeakPolarHBondContact CB-O 3.37Å; L325-M413 HydrophobicContact CD1-CB 4Å; L325-M413 PolarHBondContact N-O 2.91Å; L325-W415 HydrophobicContact CD1-CB 4.43Å
326G93.4Very high90.4Very high19 Ų1963.7 Ų63.720%0.19635%0.349CS..EExtended strand (participates in β ladder)trans114-164.4-177.700000112.7Y324 M413Y324-G326 WeakPolarHBondContact CE2-O 3.38Å; Y324-G326 VanDerWaalsContact CZ-CA 3.47Å; Y324-G326 PolarHBondContact OH-O 2.81Å; G326-M413 PolarHBondContact O-N 2.98Å; G326-M413 VanDerWaalsContact O-N 3.08Å
327N94Very high91.9Very high85 Ų8561.3 Ų61.346%0.45534%0.337SS..EExtended strand (participates in β ladder)trans-138.1148.3174.964.889.9000111.2Y324 C410 C411Y324-N327 WeakPolarHBondContact OH-CB 3.44Å; Y324-N327 PolarHBondContact OH-N 2.82Å; Y324-N327 PolarHBondContact OH-ND2 3.39Å; N327-C410 VanDerWaalsContact CB-SG 3.57Å; N327-C410 PolarHBondContact OD1-SG 3.28Å; N327-C411 CarbonylContact C-O 3.47Å; N327-C411 WeakPolarHBondContact CA-O 3.27Å; N327-C411 WeakPolarHBondContact CB-O 3.38Å
328V94.4Very high92.5Very high41 Ų4160.1 Ų60.125%0.24833%0.33CS..EExtended strand (participates in β ladder)trans-134.9143179.6-64.40000110.9V330 A342 V346 C410 C411 M413V328-V330 HydrophobicContact CG2-CG1 4.37Å; V328-A342 HydrophobicContact CG2-CB 3.62Å; V328-V346 HydrophobicContact CG1-CG2 4.3Å; V328-C410 WeakPolarHBondContact O-CA 3.37Å; V328-C411 HydrophobicContact CG2-CB 4.17Å; V328-C411 PolarHBondContact N-O 2.9Å; V328-C411 PolarHBondContact O-N 3.01Å; V328-M413 HydrophobicContact CB-CE 4.32Å; V328-M413 HydrophobicContact CG1-CE 3.9Å; V328-M413 HydrophobicContact CG2-CE 3.7Å; V328-M413 HydrophobicContact CG2-SD 4.39Å
329P94.4Very high92.8Very high114 Ų11455.4 Ų55.474%0.7431%0.308SS*.EExtended strand (participates in β ladder)trans-66.2140.1173.328.6-33.8000110.4F409P329-F409 CarbonylContact C-O 3.6Å; P329-F409 WeakPolarHBondContact CA-O 3.26Å
330V95Very high92.9Very high20 Ų2051.1 Ų51.112%0.12129%0.29CS..EExtended strand (participates in β ladder)trans-128.3146.8178.3-63.30000111.3V328 K332 V338 I401 F409 C411V328-V330 HydrophobicContact CG2-CG1 4.37Å; V330-K332 WeakPolarHBondContact CG2-O 3.48Å; V330-V338 HydrophobicContact CB-CG1 3.69Å; V330-V338 HydrophobicContact CG1-CG1 3.85Å; V330-V338 HydrophobicContact CG2-CG1 4.21Å; V330-I401 HydrophobicContact CG2-CD1 4.19Å; V330-I401 HydrophobicContact CG2-CG1 4.31Å; V330-I401 HydrophobicContact CG2-CG2 3.72Å; V330-F409 HydrophobicContact CG2-CB 3.62Å; V330-F409 PolarHBondContact N-O 3.33Å; V330-C411 HydrophobicContact CG1-CB 3.61Å; V330-C411 HydrophobicContact CG2-CB 4.38Å
331A89.4Confident92.9Very high95 Ų9551.3 Ų51.379%0.78530%0.302SS*.SBendtrans-77.9-22.4-174.100000113.8
332K90Very high92.8Very high118 Ų11845.4 Ų45.451%0.51328%0.276SS..  trans-123.4146-175.8-64.4179.3-175.9173.20110.8V330 V334 V338V330-K332 WeakPolarHBondContact CG2-O 3.48Å; K332-V334 VanDerWaalsContact C-N 3.3Å; K332-V334 PolarHBondContact O-N 3.08Å; K332-V338 HydrophobicContact CB-CG2 4.1Å; K332-V338 HydrophobicContact CD-CG2 4.18Å
333P86.8Confident92.7Very high22 Ų2245.3 Ų45.314%0.14328%0.275CS..SBendtrans-74.3-19.7178.626.5-31.4000113.8F6 S387 F388 F409F6-P333 HydrophobicContact CD1-CB 4.34Å; F6-P333 HydrophobicContact CD1-CG 4.22Å; F6-P333 HydrophobicContact CE1-CB 4.11Å; F6-P333 HydrophobicContact CE1-CG 3.61Å; F6-P333 HydrophobicContact CZ-CG 4.42Å; P333-S387 VanDerWaalsContact O-CB 3.28Å; P333-S387 WeakPolarHBondContact O-CB 3.48Å; P333-S387 PolarHBondContact O-OG 2.86Å; P333-F388 WeakPolarHBondContact O-CB 3.43Å; P333-F409 HydrophobicContact CB-CD1 3.85Å; P333-F409 HydrophobicContact CB-CE1 3.56Å; P333-F409 HydrophobicContact CB-CE2 4.23Å; P333-F409 HydrophobicContact CB-CG 4.32Å; P333-F409 HydrophobicContact CB-CZ 3.75Å; P333-F409 HydrophobicContact CG-CE1 4.28Å; P333-F409 HydrophobicContact CG-CE2 4.3Å; P333-F409 HydrophobicContact CG-CZ 3.97Å
334V89.8Confident92.5Very high47 Ų4746 Ų4629%0.28528%0.281SS..  trans-141.7153.5-173.6-60.70000110.1F6 A9 K332 F388F6-V334 HydrophobicContact CD1-CG1 4.5Å; A9-V334 HydrophobicContact CB-CG1 4.25Å; K332-V334 VanDerWaalsContact C-N 3.3Å; K332-V334 PolarHBondContact O-N 3.08Å; V334-F388 HydrophobicContact CB-CB 4.35Å; V334-F388 HydrophobicContact CB-CD2 4.06Å; V334-F388 HydrophobicContact CB-CG 4.21Å; V334-F388 HydrophobicContact CG1-CB 4.13Å; V334-F388 HydrophobicContact CG1-CD2 4.13Å; V334-F388 HydrophobicContact CG1-CG 4.37Å
335G86.6Confident92.3Very high12 Ų1248.7 Ų48.712%0.12430%0.303CS..  trans137.9122.4175.200000112.5D337 V338 I339G335-D337 VanDerWaalsContact CA-OD1 3.31Å; G335-D337 WeakPolarHBondContact CA-OD1 3.37Å; G335-D337 PolarHBondContact O-N 3.2Å; G335-V338 WeakPolarHBondContact O-CB 3.12Å; G335-V338 PolarHBondContact O-N 3.11Å; G335-I339 PolarHBondContact O-N 3.24Å; G335-I339 VanDerWaalsContact O-N 3.16Å
336V89.8Confident92.1Very high64 Ų6448.4 Ų48.439%0.38830%0.301SS..Hα-helixtrans-64.7-34174.1176.30000110.8V338 I339 N340 F388V336-V338 VanDerWaalsContact C-N 3.33Å; V336-I339 PolarHBondContact O-N 3.2Å; V336-N340 WeakPolarHBondContact CG1-ND2 3.38Å; V336-N340 WeakPolarHBondContact O-CB 3.37Å; V336-N340 PolarHBondContact O-N 3.47Å; V336-N340 PolarHBondContact O-ND2 3.05Å; V336-F388 HydrophobicContact CG2-CE1 3.95Å; V336-F388 HydrophobicContact CG2-CZ 3.64Å
337D91Very high91.9Very high103 Ų10350.3 Ų50.355%0.55131%0.307SS*.Hα-helixtrans-61.9-38.917259.7-41.6000112.2G335 G341G335-D337 VanDerWaalsContact CA-OD1 3.31Å; G335-D337 WeakPolarHBondContact CA-OD1 3.37Å; G335-D337 PolarHBondContact O-N 3.2Å; D337-G341 PolarHBondContact O-N 3.17Å
338V92.5Very high91.7Very high26 Ų2651 Ų5116%0.15832%0.319CS..Hα-helixtrans-66.5-46.9177.6-1780000110.9V330 K332 G335 V336 A342 I401V330-V338 HydrophobicContact CB-CG1 3.69Å; V330-V338 HydrophobicContact CG1-CG1 3.85Å; V330-V338 HydrophobicContact CG2-CG1 4.21Å; K332-V338 HydrophobicContact CB-CG2 4.1Å; K332-V338 HydrophobicContact CD-CG2 4.18Å; G335-V338 WeakPolarHBondContact O-CB 3.12Å; G335-V338 PolarHBondContact O-N 3.11Å; V336-V338 VanDerWaalsContact C-N 3.33Å; V338-A342 PolarHBondContact O-N 3.47Å; V338-A342 VanDerWaalsContact O-N 3.12Å; V338-I401 HydrophobicContact CB-CD1 4.4Å; V338-I401 HydrophobicContact CG1-CD1 4.03Å
339I94.1Very high91.2Very high0 Ų053 Ų530%034%0.335CS..Hα-helixtrans-62-49.2175.9-80.4179.8000110.9G335 V336 G341 A342 L343 F388 A390 A399 I401G335-I339 PolarHBondContact O-N 3.24Å; G335-I339 VanDerWaalsContact O-N 3.16Å; V336-I339 PolarHBondContact O-N 3.2Å; I339-G341 VanDerWaalsContact C-N 3.35Å; I339-G341 PolarHBondContact O-N 3.18Å; I339-A342 WeakPolarHBondContact O-CB 3.46Å; I339-A342 PolarHBondContact O-N 3.02Å; I339-L343 HydrophobicContact CG2-CD1 3.71Å; I339-L343 HydrophobicContact CG2-CG 4.46Å; I339-L343 PolarHBondContact O-N 3.33Å; I339-F388 HydrophobicContact CD1-CD1 3.5Å; I339-F388 VanDerWaalsContact CD1-CD1 3.5Å; I339-F388 HydrophobicContact CD1-CE1 3.84Å; I339-F388 HydrophobicContact CG1-CD1 4.21Å; I339-A390 HydrophobicContact CD1-CB 3.7Å; I339-A390 HydrophobicContact CG2-CB 4.39Å; I339-A399 HydrophobicContact CD1-CB 4.26Å; I339-A399 HydrophobicContact CG1-CB 4.27Å; I339-A399 HydrophobicContact CG2-CB 3.69Å; I339-I401 HydrophobicContact CD1-CG1 4.32Å; I339-I401 HydrophobicContact CG1-CD1 4.08Å; I339-I401 HydrophobicContact CG1-CG1 4.01Å
340N94.3Very high90.6Very high12 Ų1249 Ų496%0.06431%0.309CS..Hα-helixtrans-65.7-38.1-177.8-77.7-56.7000112.1V336 A342 L343 E344 G392 R393V336-N340 WeakPolarHBondContact CG1-ND2 3.38Å; V336-N340 WeakPolarHBondContact O-CB 3.37Å; V336-N340 PolarHBondContact O-N 3.47Å; V336-N340 PolarHBondContact O-ND2 3.05Å; N340-A342 VanDerWaalsContact C-N 3.33Å; N340-A342 PolarHBondContact O-N 3.15Å; N340-L343 PolarHBondContact O-N 3.16Å; N340-E344 WeakPolarHBondContact O-CB 3.39Å; N340-E344 WeakPolarHBondContact O-CG 3.25Å; N340-E344 PolarHBondContact O-N 3.1Å; N340-G392 VanDerWaalsContact OD1-CA 3.24Å; N340-G392 WeakPolarHBondContact OD1-CA 3.25Å; N340-R393 PolarHBondContact OD1-N 2.87Å
341G94.3Very high90Very high39 Ų3950.4 Ų50.440%0.40232%0.32SS..Hα-helixtrans-62-39.717400000112.7D337 I339 S345D337-G341 PolarHBondContact O-N 3.17Å; I339-G341 VanDerWaalsContact C-N 3.35Å; I339-G341 PolarHBondContact O-N 3.18Å; G341-S345 PolarHBondContact O-N 2.92Å; G341-S345 VanDerWaalsContact O-N 3.15Å
342A94.4Very high89.5Confident10 Ų1051.7 Ų51.78%0.08330%0.304CS..Hα-helixtrans-65.1-46.1174.500000112.1V328 V338 I339 N340 S345 V346 C411 M413V328-A342 HydrophobicContact CG2-CB 3.62Å; V338-A342 PolarHBondContact O-N 3.47Å; V338-A342 VanDerWaalsContact O-N 3.12Å; I339-A342 WeakPolarHBondContact O-CB 3.46Å; I339-A342 PolarHBondContact O-N 3.02Å; N340-A342 VanDerWaalsContact C-N 3.33Å; N340-A342 PolarHBondContact O-N 3.15Å; A342-S345 PolarHBondContact O-N 3.35Å; A342-V346 PolarHBondContact O-N 2.81Å; A342-C411 HydrophobicContact CB-CB 4.42Å; A342-M413 VanDerWaalsContact C-SD 3.54Å; A342-M413 HydrophobicContact CB-SD 3.78Å
343L94.4Very high88.9Confident4 Ų453.7 Ų53.72%0.02132%0.316CS..Hα-helixtrans-61.6-46.5177.8-77.8166.3000111.8L325 I339 N340 S345 V346 L347 T397 A399 M413L325-L343 HydrophobicContact CD1-CD2 3.98Å; I339-L343 HydrophobicContact CG2-CD1 3.71Å; I339-L343 HydrophobicContact CG2-CG 4.46Å; I339-L343 PolarHBondContact O-N 3.33Å; N340-L343 PolarHBondContact O-N 3.16Å; L343-S345 VanDerWaalsContact C-N 3.31Å; L343-S345 PolarHBondContact O-N 3.43Å; L343-V346 PolarHBondContact O-N 3.31Å; L343-L347 HydrophobicContact CB-CD1 4.49Å; L343-L347 WeakPolarHBondContact O-CB 3.12Å; L343-L347 WeakPolarHBondContact O-CG 3.32Å; L343-L347 PolarHBondContact O-N 3.47Å; L343-T397 HydrophobicContact CD2-CG2 4.42Å; L343-A399 HydrophobicContact CD1-CB 4.35Å; L343-M413 HydrophobicContact CD2-CB 3.73Å; L343-M413 HydrophobicContact CD2-CG 3.68Å; L343-M413 HydrophobicContact CD2-SD 4.07Å; L343-M413 HydrophobicContact CG-CG 4.08Å; L343-M413 HydrophobicContact CG-SD 4.22Å
344E93.3Very high88.7Confident98 Ų9858.8 Ų58.846%0.45834%0.337SS..Hα-helixtrans-62.1-38.5178.8-75.6179167.200112.4N340 V346 S348 R393N340-E344 WeakPolarHBondContact O-CB 3.39Å; N340-E344 WeakPolarHBondContact O-CG 3.25Å; N340-E344 PolarHBondContact O-N 3.1Å; E344-V346 VanDerWaalsContact C-N 3.34Å; E344-V346 PolarHBondContact O-N 3.43Å; E344-S348 VanDerWaalsContact O-CB 3.25Å; E344-S348 WeakPolarHBondContact O-CB 3.46Å; E344-S348 PolarHBondContact O-N 3.02Å; E344-S348 PolarHBondContact O-OG 3.02Å; E344-R393 VanDerWaalsContact CD-NH1 3.28Å; E344-R393 IonicContact OE1-CZ 2.71Å; E344-R393 IonicContact OE1-NH1 3.36Å; E344-R393 PolarHBondContact OE1-NH1 3.03Å; E344-R393 IonicContact OE2-NH1 3.67Å; E344-R393 PolarHBondContact OE2-NH1 3.16Å
345S91.5Very high88.8Confident74 Ų7457.7 Ų57.752%0.51733%0.328SS..Hα-helixtrans-61.5-42.3175.3-174.10000111.9G341 A342 L343 S348 S349G341-S345 PolarHBondContact O-N 2.92Å; G341-S345 VanDerWaalsContact O-N 3.15Å; A342-S345 PolarHBondContact O-N 3.35Å; L343-S345 VanDerWaalsContact C-N 3.31Å; L343-S345 PolarHBondContact O-N 3.43Å; S345-S348 PolarHBondContact O-OG 2.99Å; S345-S348 VanDerWaalsContact O-OG 3.11Å; S345-S349 WeakPolarHBondContact O-CB 3.44Å; S345-S349 PolarHBondContact O-N 2.85Å; S345-S349 PolarHBondContact O-OG 2.93Å; S345-S349 VanDerWaalsContact O-OG 3.08Å
346V90.8Very high89.1Confident13 Ų1359.5 Ų59.58%0.07934%0.337CS..Hα-helixtrans-77.5-39.8-178.3175.30000111.8L325 V328 A342 L343 E344 S348 S349 S350 M413L325-V346 HydrophobicContact CB-CG1 4.02Å; V328-V346 HydrophobicContact CG1-CG2 4.3Å; A342-V346 PolarHBondContact O-N 2.81Å; L343-V346 PolarHBondContact O-N 3.31Å; E344-V346 VanDerWaalsContact C-N 3.34Å; E344-V346 PolarHBondContact O-N 3.43Å; V346-S348 VanDerWaalsContact C-N 3.28Å; V346-S348 PolarHBondContact O-N 3.49Å; V346-S349 PolarHBondContact O-N 3.42Å; V346-S349 PolarHBondContact O-OG 2.95Å; V346-S350 VanDerWaalsContact O-CB 3.23Å; V346-S350 WeakPolarHBondContact O-CB 3.36Å; V346-S350 PolarHBondContact O-N 2.9Å; V346-S350 PolarHBondContact O-OG 2.76Å; V346-M413 HydrophobicContact CG2-CE 3.63Å; V346-M413 HydrophobicContact CG2-SD 4.06Å
347L90.3Very high89.4Confident59 Ų5958.1 Ų58.131%0.30933%0.329SS..Hα-helixtrans-69.3-27.3179.1-66.9172.3000112.5L325 L343 W355 T397 W415L325-L347 HydrophobicContact CD2-CD2 4.29Å; L343-L347 HydrophobicContact CB-CD1 4.49Å; L343-L347 WeakPolarHBondContact O-CB 3.12Å; L343-L347 WeakPolarHBondContact O-CG 3.32Å; L343-L347 PolarHBondContact O-N 3.47Å; L347-W355 HydrophobicContact CD2-CH2 3.85Å; L347-W355 HydrophobicContact CD2-CZ2 3.44Å; L347-W355 VanDerWaalsContact CD2-CZ2 3.44Å; L347-T397 HydrophobicContact CD1-CG2 4.04Å; L347-W415 HydrophobicContact CD2-CE3 4.35Å; L347-W415 HydrophobicContact CD2-CZ3 4.47Å
348S88.6Confident89.6Confident101 Ų10153.2 Ų53.271%0.70630%0.303SS*.Hα-helixtrans-81.9-29.7173.958.50000113.4E344 S345 V346E344-S348 VanDerWaalsContact O-CB 3.25Å; E344-S348 WeakPolarHBondContact O-CB 3.46Å; E344-S348 PolarHBondContact O-N 3.02Å; E344-S348 PolarHBondContact O-OG 3.02Å; S345-S348 PolarHBondContact O-OG 2.99Å; S345-S348 VanDerWaalsContact O-OG 3.11Å; V346-S348 VanDerWaalsContact C-N 3.28Å; V346-S348 PolarHBondContact O-N 3.49Å
349S83.7Confident89.7Confident83 Ų8353.4 Ų53.458%0.5830%0.302SS*.Hα-helixtrans-86.8-29.6-179.666.40000114.1S345 V346S345-S349 WeakPolarHBondContact O-CB 3.44Å; S345-S349 PolarHBondContact O-N 2.85Å; S345-S349 PolarHBondContact O-OG 2.93Å; S345-S349 VanDerWaalsContact O-OG 3.08Å; V346-S349 PolarHBondContact O-N 3.42Å; V346-S349 PolarHBondContact O-OG 2.95Å
350S81.6Confident89.8Confident29 Ų2953.5 Ų53.520%0.20330%0.303CS..SBendtrans-118.2124.5-166.6-530000110.9V346V346-S350 VanDerWaalsContact O-CB 3.23Å; V346-S350 WeakPolarHBondContact O-CB 3.36Å; V346-S350 PolarHBondContact O-N 2.9Å; V346-S350 PolarHBondContact O-OG 2.76Å
351S82.4Confident89.9Confident50 Ų5053.5 Ų53.535%0.3530%0.304SS..  trans-74.9157.2172.775.90000111E353 Q354 W355S351-E353 WeakPolarHBondContact CB-OE2 3.2Å; S351-E353 PolarHBondContact O-N 3.34Å; S351-E353 VanDerWaalsContact O-N 3.11Å; S351-E353 PolarHBondContact OG-OE2 3.2Å; S351-Q354 WeakPolarHBondContact O-CB 3.35Å; S351-Q354 PolarHBondContact O-N 3.41Å; S351-W355 PolarHBondContact O-NE1 3.34Å
352R79.2Confident89.9Confident122 Ų12251.9 Ų51.946%0.4629%0.286SS..G310 helixtrans-61.3-23.8-173.5-170.6162-178.3167.62.2113.1Q354 W355 E417R352-Q354 VanDerWaalsContact C-N 3.27Å; R352-Q354 PolarHBondContact O-N 3.03Å; R352-W355 HydrophobicContact CB-CD2 4.46Å; R352-W355 HydrophobicContact CB-CE3 4.39Å; R352-W355 HydrophobicContact CB-CH2 4.32Å; R352-W355 HydrophobicContact CB-CZ2 4.37Å; R352-W355 HydrophobicContact CB-CZ3 4.33Å; R352-W355 HydrophobicContact CG-CD2 4.23Å; R352-W355 HydrophobicContact CG-CE3 3.72Å; R352-W355 HydrophobicContact CG-CH2 4.07Å; R352-W355 HydrophobicContact CG-CZ3 3.63Å; R352-W355 PolarHBondContact O-N 3.31Å; R352-E417 IonicContact CZ-OE1 3.99Å; R352-E417 IonicContact NH2-OE1 3.78Å; R352-E417 PolarHBondContact NH2-OE1 2.89Å
353E78.6Confident89.7Confident160 Ų16052 Ų5275%0.74829%0.287SS*.G310 helixtrans-72.9-17.5176.8-52.575-157.400113.2S351S351-E353 WeakPolarHBondContact CB-OE2 3.2Å; S351-E353 PolarHBondContact O-N 3.34Å; S351-E353 VanDerWaalsContact O-N 3.11Å; S351-E353 PolarHBondContact OG-OE2 3.2Å
354Q81.7Confident89.1Confident128 Ų12853.8 Ų53.860%0.59830%0.299SS*.G310 helixtrans-91.6-8.8179.6-60.1176.618.700112.7S351 R352S351-Q354 WeakPolarHBondContact O-CB 3.35Å; S351-Q354 PolarHBondContact O-N 3.41Å; R352-Q354 VanDerWaalsContact C-N 3.27Å; R352-Q354 PolarHBondContact O-N 3.03Å
355W91.7Very high88.7Confident24 Ų2451.1 Ų51.19%0.09129%0.293CS..SBendtrans-75.3137-178.9-55.1-12.7000110.5Y323 L325 L347 S351 R352 P357 W415Y323-W355 HydrophobicContact CD1-CB 4.28Å; Y323-W355 HydrophobicContact CG-CB 4.46Å; L325-W355 HydrophobicContact CD2-CB 4.41Å; L325-W355 HydrophobicContact CD2-CD2 3.36Å; L325-W355 HydrophobicContact CD2-CE3 3.95Å; L325-W355 HydrophobicContact CD2-CG 3.58Å; L325-W355 HydrophobicContact CD2-CH2 4.41Å; L325-W355 HydrophobicContact CD2-CZ2 3.9Å; L325-W355 HydrophobicContact CD2-CZ3 4.44Å; L347-W355 HydrophobicContact CD2-CH2 3.85Å; L347-W355 HydrophobicContact CD2-CZ2 3.44Å; L347-W355 VanDerWaalsContact CD2-CZ2 3.44Å; S351-W355 PolarHBondContact O-NE1 3.34Å; R352-W355 HydrophobicContact CB-CD2 4.46Å; R352-W355 HydrophobicContact CB-CE3 4.39Å; R352-W355 HydrophobicContact CB-CH2 4.32Å; R352-W355 HydrophobicContact CB-CZ2 4.37Å; R352-W355 HydrophobicContact CB-CZ3 4.33Å; R352-W355 HydrophobicContact CG-CD2 4.23Å; R352-W355 HydrophobicContact CG-CE3 3.72Å; R352-W355 HydrophobicContact CG-CH2 4.07Å; R352-W355 HydrophobicContact CG-CZ3 3.63Å; R352-W355 PolarHBondContact O-N 3.31Å; W355-P357 VanDerWaalsContact O-CD 3.27Å; W355-P357 WeakPolarHBondContact O-CD 3.34Å; W355-W415 HydrophobicContact CE3-CB 3.99Å; W355-W415 HydrophobicContact CE3-CD2 4.45Å; W355-W415 HydrophobicContact CE3-CG 4.07Å; W355-W415 AromaticContact CH2-CD2 3.84Å; W355-W415 HydrophobicContact CH2-CD2 3.84Å; W355-W415 AromaticContact CH2-CE3 3.6Å; W355-W415 HydrophobicContact CH2-CE3 3.6Å; W355-W415 HydrophobicContact CH2-CG 4.3Å; W355-W415 HydrophobicContact CH2-CZ3 4.08Å; W355-W415 HydrophobicContact CZ3-CB 3.82Å; W355-W415 AromaticContact CZ3-CD2 3.44Å; W355-W415 HydrophobicContact CZ3-CD2 3.44Å; W355-W415 VanDerWaalsContact CZ3-CD2 3.44Å; W355-W415 AromaticContact CZ3-CE3 3.71Å; W355-W415 HydrophobicContact CZ3-CE3 3.71Å; W355-W415 AromaticContact CZ3-CG 3.47Å; W355-W415 HydrophobicContact CZ3-CG 3.47Å; W355-W415 VanDerWaalsContact CZ3-CG 3.47Å
356T92.8Very high88.7Confident50 Ų5049.1 Ų49.131%0.30728%0.278SS..EExtended strand (participates in β ladder)trans-84.2114.4-172-59.30000110.3Y324 S358 H371 L378Y324-T356 PolarHBondContact N-O 3.43Å; Y324-T356 PolarHBondContact O-N 3.11Å; Y324-T356 VanDerWaalsContact O-N 3.09Å; T356-S358 PolarHBondContact O-N 2.9Å; T356-S358 PolarHBondContact O-OG 2.85Å; T356-H371 VanDerWaalsContact CG2-CD2 3.47Å; T356-H371 WeakPolarHBondContact CG2-CD2 3.42Å; T356-L378 HydrophobicContact CG2-CD1 3.74Å
357P95.4Very high88.9Confident36 Ų3648.5 Ų48.523%0.23428%0.275CS..EExtended strand (participates in β ladder)trans-62.5123.1177.3-16.830.8000109.7Y323 W355 Q372Y323-P357 HydrophobicContact CD1-CB 4.25Å; Y323-P357 HydrophobicContact CD1-CG 4.19Å; Y323-P357 HydrophobicContact CE1-CB 4.12Å; Y323-P357 HydrophobicContact CE1-CG 4Å; W355-P357 VanDerWaalsContact O-CD 3.27Å; W355-P357 WeakPolarHBondContact O-CD 3.34Å; P357-Q372 HydrophobicContact CB-CB 4.08Å; P357-Q372 VanDerWaalsContact CB-OE1 3.24Å; P357-Q372 VanDerWaalsContact O-CB 3.28Å; P357-Q372 WeakPolarHBondContact O-CB 3.36Å; P357-Q372 PolarHBondContact O-N 2.72Å
358S96.6Very high89.1Confident0 Ų047.1 Ų47.10%027%0.269CS..EExtended strand (participates in β ladder)trans-143.4163-166.1-590000112.8V322 Y324 T356 L370 L378V322-S358 PolarHBondContact N-O 3.49Å; V322-S358 CarbonylContact O-C 3.59Å; V322-S358 WeakPolarHBondContact O-CA 3.47Å; V322-S358 PolarHBondContact O-N 3.02Å; Y324-S358 VanDerWaalsContact CB-OG 3.32Å; Y324-S358 WeakPolarHBondContact CB-OG 3.47Å; T356-S358 PolarHBondContact O-N 2.9Å; T356-S358 PolarHBondContact O-OG 2.85Å; S358-L370 CarbonylContact C-O 3.6Å; S358-L370 WeakPolarHBondContact CA-O 3.31Å; S358-L370 VanDerWaalsContact CB-O 3.25Å; S358-L370 WeakPolarHBondContact CB-O 3.32Å; S358-L378 VanDerWaalsContact OG-CD1 3.3Å; S358-L378 WeakPolarHBondContact OG-CD1 3.49Å
359H93.9Very high89.5Confident30 Ų3042.3 Ų42.314%0.13924%0.235CC..EExtended strand (participates in β ladder)trans-115138164.3-59104.7000110.5F320 Q321 L370F320-H359 CarbonylContact O-C 3.57Å; F320-H359 WeakPolarHBondContact O-CA 3.49Å; Q321-H359 WeakPolarHBondContact CG-CD2 3.27Å; Q321-H359 WeakPolarHBondContact CG-NE2 3.26Å; H359-L370 PolarHBondContact N-O 2.89Å; H359-L370 PolarHBondContact O-N 3.36Å
360V96.6Very high90Very high1 Ų139.4 Ų39.41%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-101.5118167.1179.40000108.5K319 F320 V322 V362 T368 F414 L423K319-V360 WeakPolarHBondContact CA-O 3.37Å; F320-V360 PolarHBondContact N-O 3.48Å; F320-V360 PolarHBondContact O-N 2.83Å; V322-V360 HydrophobicContact CG2-CG2 3.63Å; V360-V362 HydrophobicContact CG1-CG2 4Å; V360-T368 WeakPolarHBondContact CA-O 3.35Å; V360-F414 HydrophobicContact CG2-CD1 3.76Å; V360-F414 HydrophobicContact CG2-CE1 3.47Å; V360-F414 VanDerWaalsContact CG2-CE1 3.47Å; V360-F414 HydrophobicContact CG2-CZ 4.19Å; V360-L423 HydrophobicContact CB-CD1 4.07Å; V360-L423 HydrophobicContact CG1-CD1 3.88Å; V360-L423 HydrophobicContact CG2-CD2 4.49Å
361S95.2Very high90.5Very high13 Ų1339.9 Ų39.99%0.09121%0.212CC..EExtended strand (participates in β ladder)trans-97.9107.6176.9-177.70000109.1V317 Q318 L367 T368V317-S361 WeakPolarHBondContact CG1-OG 3.29Å; Q318-S361 CarbonylContact O-C 3.6Å; Q318-S361 WeakPolarHBondContact O-CA 3.31Å; S361-L367 WeakPolarHBondContact O-CA 3.14Å; S361-T368 PolarHBondContact N-O 3.09Å; S361-T368 PolarHBondContact O-N 3.13Å
362V94.8Very high90.9Very high5 Ų541 Ų413%0.0321%0.211CC..EExtended strand (participates in β ladder)trans-96.3107.6-177.3-177.50000109.4V317 Q318 F320 V360 L367 L423 A426 V427 A430V317-V362 WeakPolarHBondContact CA-O 3.41Å; Q318-V362 PolarHBondContact N-O 3Å; Q318-V362 VanDerWaalsContact N-O 3.13Å; Q318-V362 PolarHBondContact O-N 3.3Å; F320-V362 HydrophobicContact CD2-CG2 3.86Å; F320-V362 HydrophobicContact CE2-CB 4.24Å; F320-V362 HydrophobicContact CE2-CG2 3.73Å; V360-V362 HydrophobicContact CG1-CG2 4Å; V362-L367 HydrophobicContact CB-CD2 4.07Å; V362-L367 HydrophobicContact CG1-CD2 3.62Å; V362-L367 HydrophobicContact CG2-CD2 4.03Å; V362-L423 HydrophobicContact CG2-CD1 4Å; V362-A426 HydrophobicContact CG1-CB 4.31Å; V362-A426 HydrophobicContact CG2-CB 4.4Å; V362-V427 HydrophobicContact CG2-CG2 4.03Å; V362-A430 HydrophobicContact CG1-CB 4.01Å
363A89.8Confident91.3Very high13 Ų1342.6 Ų42.611%0.10722%0.224CC..  trans-109.4161.7172.600000110.5V317 A365 T366V317-A363 HydrophobicContact CG2-CB 4.05Å; A363-A365 PolarHBondContact O-N 3.07Å; A363-T366 WeakPolarHBondContact CA-O 3.44Å; A363-T366 WeakPolarHBondContact CB-O 3.4Å; A363-T366 PolarHBondContact N-O 3.13Å; A363-T366 PolarHBondContact O-N 3.23Å
364P81.9Confident91.7Very high40 Ų4039.4 Ų39.426%0.2622%0.216SC..SBendtrans-57.5-23.7-174.4-27.535.5000115.6
365A85.3Confident92Very high42 Ų4239 Ų3935%0.34721%0.214SC..SBendtrans-117.3-16.8-17800000114.5A363 V383 R434A363-A365 PolarHBondContact O-N 3.07Å; A365-V383 VanDerWaalsContact C-CG2 3.49Å; A365-V383 PolarHBondContact O-N 3.05Å; A365-R434 PolarHBondContact O-NH1 3.26Å
366T91.3Very high91.9Very high33 Ų3340.1 Ų40.120%0.20223%0.228CC..EExtended strand (participates in β ladder)trans-148.5138.5-167.3-54.60000110.5A363 E380A363-T366 WeakPolarHBondContact CA-O 3.44Å; A363-T366 WeakPolarHBondContact CB-O 3.4Å; A363-T366 PolarHBondContact N-O 3.13Å; A363-T366 PolarHBondContact O-N 3.23Å; T366-E380 HydrophobicContact CG2-CG 3.46Å; T366-E380 VanDerWaalsContact CG2-CG 3.46Å
367L94.9Very high91.8Very high0 Ų042.3 Ų42.30%024%0.241CC..EExtended strand (participates in β ladder)trans-103.8129.8166.6-45.9177.1000107.5S361 V362 C381 V383 L386 F400 V427S361-L367 WeakPolarHBondContact O-CA 3.14Å; V362-L367 HydrophobicContact CB-CD2 4.07Å; V362-L367 HydrophobicContact CG1-CD2 3.62Å; V362-L367 HydrophobicContact CG2-CD2 4.03Å; L367-C381 HydrophobicContact CB-CB 4.21Å; L367-C381 PolarHBondContact N-O 3.22Å; L367-C381 PolarHBondContact O-N 2.93Å; L367-V383 HydrophobicContact CD2-CG2 4.25Å; L367-V383 HydrophobicContact CG-CG2 4.29Å; L367-L386 HydrophobicContact CD1-CD1 4.07Å; L367-L386 HydrophobicContact CD1-CD2 3.97Å; L367-F400 HydrophobicContact CD1-CD1 4.35Å; L367-F400 HydrophobicContact CD1-CE1 3.88Å; L367-F400 HydrophobicContact CD1-CZ 4.01Å; L367-V427 HydrophobicContact CD1-CG1 3.81Å; L367-V427 HydrophobicContact CD1-CG2 4.1Å; L367-V427 HydrophobicContact CD2-CG2 4.14Å
368T95.8Very high91.7Very high30 Ų3043.7 Ų43.718%0.18425%0.247CC..EExtended strand (participates in β ladder)trans-119.5127.1177.5-44.30000109.3V360 S361 L370 V377V360-T368 WeakPolarHBondContact CA-O 3.35Å; S361-T368 PolarHBondContact N-O 3.09Å; S361-T368 PolarHBondContact O-N 3.13Å; T368-L370 HydrophobicContact CG2-CD2 4Å; T368-L370 HydrophobicContact CG2-CG 4.07Å; T368-V377 HydrophobicContact CG2-CG1 4.07Å; T368-V377 HydrophobicContact CG2-CG2 4.46Å
369I96.7Very high91.4Very high0 Ų044.4 Ų44.40%025%0.254CS..EExtended strand (participates in β ladder)trans-99.4118.9177-47.9167.4000106.7Y324 L378 G379 F414Y324-I369 HydrophobicContact CD1-CG2 4.3Å; Y324-I369 HydrophobicContact CD2-CD1 4.3Å; Y324-I369 HydrophobicContact CD2-CG2 4.16Å; Y324-I369 HydrophobicContact CE2-CD1 3.81Å; Y324-I369 HydrophobicContact CG-CG2 4Å; I369-L378 HydrophobicContact CB-CB 4.34Å; I369-L378 HydrophobicContact CG2-CB 4.08Å; I369-L378 HydrophobicContact CG2-CD1 4.35Å; I369-L378 PolarHBondContact O-N 2.64Å; I369-G379 PolarHBondContact N-O 3.15Å; I369-G379 PolarHBondContact O-N 3.35Å; I369-F414 HydrophobicContact CD1-CE1 3.8Å; I369-F414 HydrophobicContact CD1-CZ 3.58Å; I369-F414 HydrophobicContact CG1-CE1 3.95Å; I369-F414 HydrophobicContact CG1-CZ 4Å; I369-F414 HydrophobicContact CG2-CE1 4.12Å
370L93.9Very high91.4Very high22 Ų2248.1 Ų48.112%0.11527%0.271CS..EExtended strand (participates in β ladder)trans-120.6140.8-174.5-64.1161.7000109.5S358 H359 T368 E375 A376 V377S358-L370 CarbonylContact C-O 3.6Å; S358-L370 WeakPolarHBondContact CA-O 3.31Å; S358-L370 VanDerWaalsContact CB-O 3.25Å; S358-L370 WeakPolarHBondContact CB-O 3.32Å; H359-L370 PolarHBondContact N-O 2.89Å; H359-L370 PolarHBondContact O-N 3.36Å; T368-L370 HydrophobicContact CG2-CD2 4Å; T368-L370 HydrophobicContact CG2-CG 4.07Å; L370-E375 WeakPolarHBondContact CD2-O 3.36Å; L370-A376 CarbonylContact C-O 3.52Å; L370-A376 WeakPolarHBondContact CA-O 3.41Å; L370-V377 HydrophobicContact CD2-CB 4.41Å; L370-V377 HydrophobicContact CD2-CG2 3.71Å
371H93.1Very high91.2Very high38 Ų3848.1 Ų48.118%0.17627%0.271CS..EExtended strand (participates in β ladder)trans-66.9134.1170.9-175.3-100.8000110.4T356 Q373 T374 E375 A376 L378T356-H371 VanDerWaalsContact CG2-CD2 3.47Å; T356-H371 WeakPolarHBondContact CG2-CD2 3.42Å; H371-Q373 VanDerWaalsContact C-N 3.3Å; H371-Q373 PolarHBondContact ND1-N 2.83Å; H371-Q373 PolarHBondContact O-N 2.87Å; H371-T374 WeakPolarHBondContact CB-OG1 3.5Å; H371-T374 PolarHBondContact ND1-N 3.01Å; H371-T374 PolarHBondContact ND1-OG1 3.39Å; H371-E375 VanDerWaalsContact O-CA 3.29Å; H371-E375 WeakPolarHBondContact O-CA 3.28Å; H371-E375 PolarHBondContact O-N 3.34Å; H371-A376 HydrophobicContact CB-CB 4.29Å; H371-A376 PolarHBondContact N-O 3.24Å; H371-L378 HydrophobicContact CB-CD1 4.17Å; H371-L378 HydrophobicContact CB-CD2 4.28Å; H371-L378 HydrophobicContact CB-CG 4.23Å
372Q89.4Confident90.9Very high73 Ų7354 Ų5434%0.34129%0.292SS..THydrogen-bonded Turntrans-62.4-32.8-169.7171.3168.37.700114.2P357P357-Q372 HydrophobicContact CB-CB 4.08Å; P357-Q372 VanDerWaalsContact CB-OE1 3.24Å; P357-Q372 VanDerWaalsContact O-CB 3.28Å; P357-Q372 WeakPolarHBondContact O-CB 3.36Å; P357-Q372 PolarHBondContact O-N 2.72Å
373Q87.5Confident90.7Very high156 Ų15653.8 Ų53.873%0.72929%0.29SS*.THydrogen-bonded Turntrans-99.4-32.5-174.1-64.81663.400113.4H371H371-Q373 VanDerWaalsContact C-N 3.3Å; H371-Q373 PolarHBondContact ND1-N 2.83Å; H371-Q373 PolarHBondContact O-N 2.87Å
374T88.1Confident90.5Very high94 Ų9460 Ų6058%0.57731%0.311SS*.THydrogen-bonded Turntrans-105.4-8-172.557.40000112.5H371 A376H371-T374 WeakPolarHBondContact CB-OG1 3.5Å; H371-T374 PolarHBondContact ND1-N 3.01Å; H371-T374 PolarHBondContact ND1-OG1 3.39Å; T374-A376 PolarHBondContact O-N 3.07Å; T374-A376 WeakPolarHBondContact OG1-CB 3.45Å; T374-A376 PolarHBondContact OG1-N 3.39Å
375E87.6Confident90.8Very high119 Ų11962.5 Ų62.556%0.55632%0.318SS*.  trans50.719.6-169.3-61.4-159.2125.800113.6K319 L370 H371 V377K319-E375 IonicContact NZ-OE1 3.79Å; L370-E375 WeakPolarHBondContact CD2-O 3.36Å; H371-E375 VanDerWaalsContact O-CA 3.29Å; H371-E375 WeakPolarHBondContact O-CA 3.28Å; H371-E375 PolarHBondContact O-N 3.34Å; E375-V377 PolarHBondContact O-N 3.43Å
376A89.3Confident91.1Very high48 Ų4861 Ų6140%0.39730%0.304SS..  trans-66.7133.9176.700000110L370 H371 T374 L378L370-A376 CarbonylContact C-O 3.52Å; L370-A376 WeakPolarHBondContact CA-O 3.41Å; H371-A376 HydrophobicContact CB-CB 4.29Å; H371-A376 PolarHBondContact N-O 3.24Å; T374-A376 PolarHBondContact O-N 3.07Å; T374-A376 WeakPolarHBondContact OG1-CB 3.45Å; T374-A376 PolarHBondContact OG1-N 3.39Å; A376-L378 PolarHBondContact O-N 2.87Å
377V91.4Very high90.9Very high95 Ų9559.8 Ų59.858%0.57630%0.297SS*.EExtended strand (participates in β ladder)trans-71.8111.1178.8-177.30000109.6T368 L370 E375T368-V377 HydrophobicContact CG2-CG1 4.07Å; T368-V377 HydrophobicContact CG2-CG2 4.46Å; L370-V377 HydrophobicContact CD2-CB 4.41Å; L370-V377 HydrophobicContact CD2-CG2 3.71Å; E375-V377 PolarHBondContact O-N 3.43Å
378L92.3Very high90.7Very high66 Ų6660.3 Ų60.335%0.34630%0.299SS..EExtended strand (participates in β ladder)trans-85.6-26.1175.4-58.2178.4000111.7Y324 T356 S358 I369 H371 A376Y324-L378 HydrophobicContact CD1-CB 4.45Å; Y324-L378 HydrophobicContact CD1-CD1 4.2Å; T356-L378 HydrophobicContact CG2-CD1 3.74Å; S358-L378 VanDerWaalsContact OG-CD1 3.3Å; S358-L378 WeakPolarHBondContact OG-CD1 3.49Å; I369-L378 HydrophobicContact CB-CB 4.34Å; I369-L378 HydrophobicContact CG2-CB 4.08Å; I369-L378 HydrophobicContact CG2-CD1 4.35Å; I369-L378 PolarHBondContact O-N 2.64Å; H371-L378 HydrophobicContact CB-CD1 4.17Å; H371-L378 HydrophobicContact CB-CD2 4.28Å; H371-L378 HydrophobicContact CB-CG 4.23Å; A376-L378 PolarHBondContact O-N 2.87Å
379G91.3Very high90.7Very high15 Ų1559.9 Ų59.916%0.15530%0.296CS..EExtended strand (participates in β ladder)trans-172.4146.2175.300000113.4I369I369-G379 PolarHBondContact N-O 3.15Å; I369-G379 PolarHBondContact O-N 3.35Å
380E92.9Very high90.4Very high108 Ų10860.5 Ų60.551%0.50530%0.301SS..EExtended strand (participates in β ladder)trans-119116.8172.3-173.8-172.6125.700109.4T366 R382T366-E380 HydrophobicContact CG2-CG 3.46Å; T366-E380 VanDerWaalsContact CG2-CG 3.46Å; E380-R382 IonicContact OE1-NE 3.51Å; E380-R382 IonicContact OE1-NH2 3.06Å
381C92.4Very high90.4Very high1 Ų162.2 Ų62.21%0.00731%0.312CS..EExtended strand (participates in β ladder)trans-116.5113.4-176.6-52.90000109.4L367 F400 M402L367-C381 HydrophobicContact CB-CB 4.21Å; L367-C381 PolarHBondContact N-O 3.22Å; L367-C381 PolarHBondContact O-N 2.93Å; C381-F400 HydrophobicContact CB-CE2 3.84Å; C381-F400 HydrophobicContact CB-CZ 3.92Å; C381-M402 HydrophobicContact CB-SD 4.05Å; C381-M402 VanDerWaalsContact SG-SD 3.65Å
382R90Very high90.2Very high136 Ų13660.9 Ų60.951%0.51331%0.309SS..EExtended strand (participates in β ladder)trans-78.7131.4177.9-62.3-175.5177.31295.9110.8E380 R384 F385 L386E380-R382 IonicContact OE1-NE 3.51Å; E380-R382 IonicContact OE1-NH2 3.06Å; R382-R384 PolarHBondContact O-N 3.18Å; R382-F385 HydrophobicContact CB-CD2 3.78Å; R382-F385 HydrophobicContact CB-CE2 4.22Å; R382-F385 HydrophobicContact CG-CD2 4.49Å; R382-F385 PolarHBondContact O-N 3.35Å; R382-L386 WeakPolarHBondContact O-CD1 3.45Å
383V89.4Confident90.2Very high1 Ų166.1 Ų66.11%0.00633%0.326CS..G310 helixtrans-54.9-30.1-178.7176.90000112.7A365 L367 F385 L386 A430 C431 R434A365-V383 VanDerWaalsContact C-CG2 3.49Å; A365-V383 PolarHBondContact O-N 3.05Å; L367-V383 HydrophobicContact CD2-CG2 4.25Å; L367-V383 HydrophobicContact CG-CG2 4.29Å; V383-F385 PolarHBondContact O-N 2.92Å; V383-L386 PolarHBondContact O-N 3.14Å; V383-A430 HydrophobicContact CG2-CB 4.32Å; V383-C431 HydrophobicContact CG1-CB 4.39Å; V383-R434 HydrophobicContact CG1-CB 4.11Å
384R85.6Confident90.3Very high143 Ų14361.6 Ų61.654%0.5431%0.307SS..G310 helixtrans-63.9-26.8177.3-153.2-175.9-171.6155.95.4114.3R382R382-R384 PolarHBondContact O-N 3.18Å
385F87.9Confident90.5Very high92 Ų9261.4 Ų61.440%0.40431%0.305SS..G310 helixtrans-100.8-2.3-174.2-59.4-53.9000112.2R382 V383 S387 M402 A403R382-F385 HydrophobicContact CB-CD2 3.78Å; R382-F385 HydrophobicContact CB-CE2 4.22Å; R382-F385 HydrophobicContact CG-CD2 4.49Å; R382-F385 PolarHBondContact O-N 3.35Å; V383-F385 PolarHBondContact O-N 2.92Å; F385-S387 PolarHBondContact O-N 3.44Å; F385-M402 CarbonylContact O-C 3.59Å; F385-M402 VanDerWaalsContact O-CA 3.25Å; F385-M402 WeakPolarHBondContact O-CA 3.35Å; F385-A403 PolarHBondContact O-N 3.14Å
386L91.4Very high90.8Very high10 Ų1058 Ų585%0.05229%0.289CS..EExtended strand (participates in β ladder)trans-65.9125.7168.3-87.681.5000108.6L367 R382 V383 F400 I401 V427L367-L386 HydrophobicContact CD1-CD1 4.07Å; L367-L386 HydrophobicContact CD1-CD2 3.97Å; R382-L386 WeakPolarHBondContact O-CD1 3.45Å; V383-L386 PolarHBondContact O-N 3.14Å; L386-F400 HydrophobicContact CD1-CD2 4.36Å; L386-F400 HydrophobicContact CD1-CE2 4.47Å; L386-F400 HydrophobicContact CD2-CB 3.9Å; L386-F400 HydrophobicContact CD2-CD1 4.45Å; L386-F400 HydrophobicContact CD2-CD2 3.92Å; L386-F400 HydrophobicContact CD2-CG 3.84Å; L386-F400 HydrophobicContact CG-CD2 3.92Å; L386-F400 HydrophobicContact CG-CG 4.34Å; L386-I401 WeakPolarHBondContact CA-O 3.4Å; L386-V427 HydrophobicContact CD2-CG1 3.81Å
387S87.8Confident91.1Very high8 Ų855.8 Ų55.86%0.05627%0.27CS..EExtended strand (participates in β ladder)trans-105.7-26.6177.356.10000112.2P333 F385 I401P333-S387 VanDerWaalsContact O-CB 3.28Å; P333-S387 WeakPolarHBondContact O-CB 3.48Å; P333-S387 PolarHBondContact O-OG 2.86Å; F385-S387 PolarHBondContact O-N 3.44Å; S387-I401 PolarHBondContact N-O 3.3Å; S387-I401 WeakPolarHBondContact OG-CG2 3.24Å; S387-I401 PolarHBondContact OG-O 3.43Å
388F91.4Very high91.4Very high11 Ų1151.3 Ų51.35%0.04824%0.243CC..EExtended strand (participates in β ladder)trans-157.4151.9-179.4-162.8-118000111.1P333 V334 V336 I339 A390 F400 I401P333-F388 WeakPolarHBondContact O-CB 3.43Å; V334-F388 HydrophobicContact CB-CB 4.35Å; V334-F388 HydrophobicContact CB-CD2 4.06Å; V334-F388 HydrophobicContact CB-CG 4.21Å; V334-F388 HydrophobicContact CG1-CB 4.13Å; V334-F388 HydrophobicContact CG1-CD2 4.13Å; V334-F388 HydrophobicContact CG1-CG 4.37Å; V336-F388 HydrophobicContact CG2-CE1 3.95Å; V336-F388 HydrophobicContact CG2-CZ 3.64Å; I339-F388 HydrophobicContact CD1-CD1 3.5Å; I339-F388 VanDerWaalsContact CD1-CD1 3.5Å; I339-F388 HydrophobicContact CD1-CE1 3.84Å; I339-F388 HydrophobicContact CG1-CD1 4.21Å; F388-A390 HydrophobicContact CE1-CB 4.07Å; F388-F400 CarbonylContact O-C 3.53Å; F388-F400 VanDerWaalsContact O-CA 3.23Å; F388-F400 WeakPolarHBondContact O-CA 3.43Å; F388-F400 WeakPolarHBondContact O-CB 3.24Å; F388-I401 HydrophobicContact CB-CB 4.17Å; F388-I401 HydrophobicContact CB-CD1 4.18Å; F388-I401 HydrophobicContact CB-CG1 4.32Å; F388-I401 HydrophobicContact CD1-CD1 4.28Å; F388-I401 PolarHBondContact N-O 3.04Å; F388-I401 PolarHBondContact O-N 2.89Å
389L94.8Very high91.6Very high21 Ų2148.1 Ų48.111%0.1123%0.227CC..EExtended strand (participates in β ladder)trans-146.3146.1172.267.1100.8000109.2I10 F398 A399 F400 V427I10-L389 HydrophobicContact CG2-CD2 4.09Å; L389-F398 HydrophobicContact CB-CE2 4.33Å; L389-F398 HydrophobicContact CB-CZ 4.31Å; L389-F398 HydrophobicContact CD1-CE2 4.05Å; L389-F398 HydrophobicContact CD1-CZ 4.43Å; L389-A399 WeakPolarHBondContact CA-O 3.23Å; L389-F400 HydrophobicContact CB-CB 3.81Å; L389-V427 HydrophobicContact CD2-CG1 4.23Å
390A91.4Very high91.8Very high14 Ų1447.5 Ų47.512%0.11622%0.22CC..EExtended strand (participates in β ladder)trans-157151.7176.900000111.5I339 F388 F398 A399I339-A390 HydrophobicContact CD1-CB 3.7Å; I339-A390 HydrophobicContact CG2-CB 4.39Å; F388-A390 HydrophobicContact CE1-CB 4.07Å; A390-F398 WeakPolarHBondContact O-CD2 3.36Å; A390-A399 PolarHBondContact N-O 3.36Å; A390-A399 PolarHBondContact O-N 2.77Å
391V93.4Very high91.9Very high57 Ų5742.3 Ų42.335%0.34520%0.196SC..EExtended strand (participates in β ladder)trans-77.9134.5158.4-178.60000107.1T397 F398 A420V391-T397 CarbonylContact C-O 3.6Å; V391-T397 WeakPolarHBondContact CA-O 3.38Å; V391-T397 WeakPolarHBondContact CG1-O 3.48Å; V391-F398 HydrophobicContact CG2-CD2 4.43Å; V391-A420 HydrophobicContact CG1-CB 4.03Å; V391-A420 HydrophobicContact CG2-CB 3.94Å
392G88.9Confident91.9Very high11 Ų1143.5 Ų43.511%0.11320%0.201CC..  trans-71.6-175.1178.500000112.2N340 D394 T397N340-G392 VanDerWaalsContact OD1-CA 3.24Å; N340-G392 WeakPolarHBondContact OD1-CA 3.25Å; G392-D394 PolarHBondContact O-N 2.91Å; G392-T397 VanDerWaalsContact CA-OG1 3.24Å; G392-T397 WeakPolarHBondContact CA-OG1 3.25Å; G392-T397 PolarHBondContact N-O 2.93Å; G392-T397 PolarHBondContact N-OG1 3.33Å
393R89.3Confident91.8Very high182 Ų18238.5 Ų38.569%0.68719%0.189SC*.SBendtrans-57-33.1174.8-72.6177.1177.7139.93.8112.5N340 E344N340-R393 PolarHBondContact OD1-N 2.87Å; E344-R393 VanDerWaalsContact CD-NH1 3.28Å; E344-R393 IonicContact OE1-CZ 2.71Å; E344-R393 IonicContact OE1-NH1 3.36Å; E344-R393 PolarHBondContact OE1-NH1 3.03Å; E344-R393 IonicContact OE2-NH1 3.67Å; E344-R393 PolarHBondContact OE2-NH1 3.16Å
394D90.1Very high91.5Very high62 Ų6241.8 Ų41.833%0.33222%0.217SC..SBendtrans-89.6129.1171.2-170.1-31.9000109.5G392 H396 T397 W415G392-D394 PolarHBondContact O-N 2.91Å; D394-H396 PolarHBondContact O-N 3.36Å; D394-H396 VanDerWaalsContact O-N 3.08Å; D394-H396 IonicContact OD1-CE1 3.71Å; D394-H396 IonicContact OD1-CG 3.6Å; D394-H396 PolarHBondContact OD1-N 3.37Å; D394-H396 IonicContact OD1-ND1 3.48Å; D394-H396 PolarHBondContact OD1-ND1 3.46Å; D394-H396 IonicContact OD2-ND1 2.99Å; D394-T397 HydrophobicContact CB-CG2 3.97Å; D394-T397 PolarHBondContact O-N 3.21Å; D394-T397 PolarHBondContact O-OG1 3.45Å; D394-W415 WeakPolarHBondContact OD2-CH2 3.34Å
395V92.3Very high91.2Very high89 Ų8936.4 Ų36.454%0.53921%0.206SC..THydrogen-bonded Turntrans-59.9-18.7179.5-60.20000113.8N419 A420V395-N419 HydrophobicContact CB-CB 4.48Å; V395-N419 HydrophobicContact CG2-CB 4.43Å; V395-A420 VanDerWaalsContact O-CB 3.27Å; V395-A420 WeakPolarHBondContact O-CB 3.21Å; V395-A420 PolarHBondContact O-N 3.16Å
396H94Very high90.7Very high47 Ų4738.6 Ų38.622%0.21823%0.229CC..THydrogen-bonded Turntrans-83.7-15.3175.4-53.486.9000112.5D394 W415 C416 P418D394-H396 PolarHBondContact O-N 3.36Å; D394-H396 VanDerWaalsContact O-N 3.08Å; D394-H396 IonicContact OD1-CE1 3.71Å; D394-H396 IonicContact OD1-CG 3.6Å; D394-H396 PolarHBondContact OD1-N 3.37Å; D394-H396 IonicContact OD1-ND1 3.48Å; D394-H396 PolarHBondContact OD1-ND1 3.46Å; D394-H396 IonicContact OD2-ND1 2.99Å; H396-W415 HydrophobicContact CB-CD2 3.95Å; H396-W415 HydrophobicContact CB-CE3 4.25Å; H396-W415 HydrophobicContact CB-CH2 3.81Å; H396-W415 HydrophobicContact CB-CZ2 3.49Å; H396-W415 VanDerWaalsContact CB-CZ2 3.49Å; H396-W415 HydrophobicContact CB-CZ3 4.18Å; H396-W415 AromaticContact CG-CZ2 3.71Å; H396-W415 CarbonylContact O-C 3.58Å; H396-W415 WeakPolarHBondContact O-CA 3.33Å; H396-C416 WeakPolarHBondContact CB-O 3.27Å; H396-C416 PolarHBondContact CD2-O 3.15Å; H396-C416 PolarHBondContact O-N 3.02Å; H396-P418 PolarHBondContact CD2-O 3.39Å; H396-P418 PolarHBondContact NE2-O 3.12Å; H396-P418 VanDerWaalsContact NE2-O 3.07Å
397T94.6Very high90.3Very high2 Ų242.5 Ų42.51%0.01226%0.263CS..EExtended strand (participates in β ladder)trans-94.5130.7-175.660.50000111.6L343 L347 V391 G392 D394 F414 W415L343-T397 HydrophobicContact CD2-CG2 4.42Å; L347-T397 HydrophobicContact CD1-CG2 4.04Å; V391-T397 CarbonylContact C-O 3.6Å; V391-T397 WeakPolarHBondContact CA-O 3.38Å; V391-T397 WeakPolarHBondContact CG1-O 3.48Å; G392-T397 VanDerWaalsContact CA-OG1 3.24Å; G392-T397 WeakPolarHBondContact CA-OG1 3.25Å; G392-T397 PolarHBondContact N-O 2.93Å; G392-T397 PolarHBondContact N-OG1 3.33Å; D394-T397 HydrophobicContact CB-CG2 3.97Å; D394-T397 PolarHBondContact O-N 3.21Å; D394-T397 PolarHBondContact O-OG1 3.45Å; T397-F414 WeakPolarHBondContact CA-O 3.38Å; T397-W415 HydrophobicContact CG2-CE3 3.74Å; T397-W415 HydrophobicContact CG2-CZ3 3.79Å
398F97.4Very high90.3Very high1 Ų145 Ų450%0.00428%0.28CS..EExtended strand (participates in β ladder)trans-130.6141175.4177.7-113.5000109.8L389 A390 V391 F400 F414 A420 L423 V427L389-F398 HydrophobicContact CB-CE2 4.33Å; L389-F398 HydrophobicContact CB-CZ 4.31Å; L389-F398 HydrophobicContact CD1-CE2 4.05Å; L389-F398 HydrophobicContact CD1-CZ 4.43Å; A390-F398 WeakPolarHBondContact O-CD2 3.36Å; V391-F398 HydrophobicContact CG2-CD2 4.43Å; F398-F400 AromaticContact CE1-CD1 3.94Å; F398-F400 HydrophobicContact CE1-CD1 3.94Å; F398-F400 HydrophobicContact CZ-CD1 4.41Å; F398-F414 AromaticContact CD1-CD2 3.93Å; F398-F414 HydrophobicContact CD1-CD2 3.93Å; F398-F414 PolarHBondContact N-O 3.02Å; F398-F414 PolarHBondContact O-N 2.93Å; F398-A420 HydrophobicContact CB-CB 3.84Å; F398-L423 HydrophobicContact CD1-CD2 3.58Å; F398-L423 HydrophobicContact CD1-CG 3.83Å; F398-L423 HydrophobicContact CE1-CD2 4.11Å; F398-L423 HydrophobicContact CE1-CG 3.96Å; F398-L423 HydrophobicContact CG-CD2 4.39Å; F398-V427 HydrophobicContact CE1-CG2 4.11Å; F398-V427 HydrophobicContact CZ-CB 4.1Å; F398-V427 HydrophobicContact CZ-CG1 4.31Å; F398-V427 HydrophobicContact CZ-CG2 4.17Å
399A97.1Very high90.4Very high0 Ų045.9 Ų45.90%028%0.284CS..EExtended strand (participates in β ladder)trans-147.5157.5173.900000112.5I339 L343 L389 A390 H412 M413I339-A399 HydrophobicContact CD1-CB 4.26Å; I339-A399 HydrophobicContact CG1-CB 4.27Å; I339-A399 HydrophobicContact CG2-CB 3.69Å; L343-A399 HydrophobicContact CD1-CB 4.35Å; L389-A399 WeakPolarHBondContact CA-O 3.23Å; A390-A399 PolarHBondContact N-O 3.36Å; A390-A399 PolarHBondContact O-N 2.77Å; A399-H412 CarbonylContact C-O 3.55Å; A399-H412 WeakPolarHBondContact CA-O 3.42Å; A399-H412 VanDerWaalsContact CB-O 3.25Å; A399-H412 WeakPolarHBondContact CB-O 3.46Å; A399-M413 HydrophobicContact CB-CG 3.9Å
400F96.7Very high90.4Very high1 Ų145.7 Ų45.70%0.00428%0.284CS..EExtended strand (participates in β ladder)trans-139.2149.2169.161.8-101.2000111.4L367 C381 L386 F388 L389 F398 C411 H412 F414L367-F400 HydrophobicContact CD1-CD1 4.35Å; L367-F400 HydrophobicContact CD1-CE1 3.88Å; L367-F400 HydrophobicContact CD1-CZ 4.01Å; C381-F400 HydrophobicContact CB-CE2 3.84Å; C381-F400 HydrophobicContact CB-CZ 3.92Å; L386-F400 HydrophobicContact CD1-CD2 4.36Å; L386-F400 HydrophobicContact CD1-CE2 4.47Å; L386-F400 HydrophobicContact CD2-CB 3.9Å; L386-F400 HydrophobicContact CD2-CD1 4.45Å; L386-F400 HydrophobicContact CD2-CD2 3.92Å; L386-F400 HydrophobicContact CD2-CG 3.84Å; L386-F400 HydrophobicContact CG-CD2 3.92Å; L386-F400 HydrophobicContact CG-CG 4.34Å; F388-F400 CarbonylContact O-C 3.53Å; F388-F400 VanDerWaalsContact O-CA 3.23Å; F388-F400 WeakPolarHBondContact O-CA 3.43Å; F388-F400 WeakPolarHBondContact O-CB 3.24Å; L389-F400 HydrophobicContact CB-CB 3.81Å; F398-F400 AromaticContact CE1-CD1 3.94Å; F398-F400 HydrophobicContact CE1-CD1 3.94Å; F398-F400 HydrophobicContact CZ-CD1 4.41Å; F400-C411 CarbonylContact O-C 3.6Å; F400-C411 WeakPolarHBondContact O-CA 3.35Å; F400-H412 HydrophobicContact CD2-CB 4.25Å; F400-H412 HydrophobicContact CE1-CB 4.16Å; F400-H412 HydrophobicContact CE2-CB 3.74Å; F400-H412 AromaticContact CE2-CD2 3.9Å; F400-H412 AromaticContact CE2-CG 3.87Å; F400-H412 HydrophobicContact CZ-CB 3.68Å; F400-H412 PolarHBondContact N-O 3.44Å; F400-H412 PolarHBondContact O-N 2.69Å; F400-F414 AromaticContact CD1-CE2 3.89Å; F400-F414 HydrophobicContact CD1-CE2 3.89Å; F400-F414 HydrophobicContact CE1-CD2 4.49Å; F400-F414 AromaticContact CE1-CE2 3.37Å; F400-F414 HydrophobicContact CE1-CE2 3.37Å; F400-F414 AromaticContact CE1-CZ 3.74Å; F400-F414 HydrophobicContact CE1-CZ 3.74Å; F400-F414 HydrophobicContact CZ-CE2 4.1Å; F400-F414 HydrophobicContact CZ-CZ 4.15Å
401I94.4Very high90.6Very high0 Ų045 Ų450%028%0.279CS..EExtended strand (participates in β ladder)trans-99.8131.3175.1-55.4176.8000108.4V330 V338 I339 L386 S387 F388 F409 C410 C411V330-I401 HydrophobicContact CG2-CD1 4.19Å; V330-I401 HydrophobicContact CG2-CG1 4.31Å; V330-I401 HydrophobicContact CG2-CG2 3.72Å; V338-I401 HydrophobicContact CB-CD1 4.4Å; V338-I401 HydrophobicContact CG1-CD1 4.03Å; I339-I401 HydrophobicContact CD1-CG1 4.32Å; I339-I401 HydrophobicContact CG1-CD1 4.08Å; I339-I401 HydrophobicContact CG1-CG1 4.01Å; L386-I401 WeakPolarHBondContact CA-O 3.4Å; S387-I401 PolarHBondContact N-O 3.3Å; S387-I401 WeakPolarHBondContact OG-CG2 3.24Å; S387-I401 PolarHBondContact OG-O 3.43Å; F388-I401 HydrophobicContact CB-CB 4.17Å; F388-I401 HydrophobicContact CB-CD1 4.18Å; F388-I401 HydrophobicContact CB-CG1 4.32Å; F388-I401 HydrophobicContact CD1-CD1 4.28Å; F388-I401 PolarHBondContact N-O 3.04Å; F388-I401 PolarHBondContact O-N 2.89Å; I401-F409 HydrophobicContact CG2-CB 3.81Å; I401-C410 CarbonylContact C-O 3.6Å; I401-C410 WeakPolarHBondContact CA-O 3.43Å; I401-C411 HydrophobicContact CG1-CB 4.31Å
402M92.5Very high90.8Very high25 Ų2543 Ų4312%0.12327%0.265CS..EExtended strand (participates in β ladder)trans-119.914417365.4178.7-71.900112C381 F385 A404 F409 C410 H412C381-M402 HydrophobicContact CB-SD 4.05Å; C381-M402 VanDerWaalsContact SG-SD 3.65Å; F385-M402 CarbonylContact O-C 3.59Å; F385-M402 VanDerWaalsContact O-CA 3.25Å; F385-M402 WeakPolarHBondContact O-CA 3.35Å; M402-A404 PolarHBondContact O-N 2.82Å; M402-F409 CarbonylContact O-C 3.59Å; M402-F409 VanDerWaalsContact O-CA 3.31Å; M402-F409 WeakPolarHBondContact O-CA 3.36Å; M402-C410 HydrophobicContact CG-CB 4.18Å; M402-C410 PolarHBondContact N-O 2.82Å; M402-C410 PolarHBondContact O-N 2.91Å; M402-H412 PolarHBondContact SD-NE2 3.23Å
403A87.9Confident91.2Very high31 Ų3142.5 Ų42.526%0.25626%0.26SS..EExtended strand (participates in β ladder)trans-77.4116.1169.800000110.2F385 F409F385-A403 PolarHBondContact O-N 3.14Å; A403-F409 HydrophobicContact CB-CD1 4.16Å; A403-F409 HydrophobicContact CB-CE1 4.23Å
404A82.3Confident91.6Very high71 Ų7133.8 Ų33.859%0.58723%0.227SC*.EExtended strand (participates in β ladder)trans-93.5-18.2175.100000112.5M402 S408M402-A404 PolarHBondContact O-N 2.82Å; A404-S408 PolarHBondContact N-O 2.7Å
405G78.9Confident91.9Very high30 Ų3031.9 Ų31.931%0.30922%0.216SC..EExtended strand (participates in β ladder)trans-177-175.7178.800000111.9A407 S408G405-A407 PolarHBondContact O-N 2.91Å; G405-A407 VanDerWaalsContact O-N 3.09Å; G405-S408 PolarHBondContact N-O 2.88Å; G405-S408 PolarHBondContact O-N 2.96Å; G405-S408 VanDerWaalsContact O-N 3.13Å
406P78.5Confident92Very high138 Ų13827.9 Ų27.990%0.89619%0.191SC*.THydrogen-bonded Turntrans-57.6115.3174.6-2132.9000110.4S408P406-S408 PolarHBondContact O-N 2.89Å; P406-S408 VanDerWaalsContact O-N 3.13Å
407A81.9Confident91.8Very high92 Ų9230 Ų3076%0.7620%0.201SC*.THydrogen-bonded Turntrans5719.5-176.200000115.8G405G405-A407 PolarHBondContact O-N 2.91Å; G405-A407 VanDerWaalsContact O-N 3.09Å
408S89.2Confident91.6Very high60 Ų6034.7 Ų34.742%0.4223%0.232SC..EExtended strand (participates in β ladder)trans-113.7120.2175.2-178.40000109.7A404 G405 P406A404-S408 PolarHBondContact N-O 2.7Å; G405-S408 PolarHBondContact N-O 2.88Å; G405-S408 PolarHBondContact O-N 2.96Å; G405-S408 VanDerWaalsContact O-N 3.13Å; P406-S408 PolarHBondContact O-N 2.89Å; P406-S408 VanDerWaalsContact O-N 3.13Å
409F92.8Very high91.4Very high29 Ų2937.7 Ų37.713%0.12725%0.248CC..EExtended strand (participates in β ladder)trans-126.2145.3-176.7-48.4-72.4000110.6P329 V330 P333 I401 M402 A403P329-F409 CarbonylContact C-O 3.6Å; P329-F409 WeakPolarHBondContact CA-O 3.26Å; V330-F409 HydrophobicContact CG2-CB 3.62Å; V330-F409 PolarHBondContact N-O 3.33Å; P333-F409 HydrophobicContact CB-CD1 3.85Å; P333-F409 HydrophobicContact CB-CE1 3.56Å; P333-F409 HydrophobicContact CB-CE2 4.23Å; P333-F409 HydrophobicContact CB-CG 4.32Å; P333-F409 HydrophobicContact CB-CZ 3.75Å; P333-F409 HydrophobicContact CG-CE1 4.28Å; P333-F409 HydrophobicContact CG-CE2 4.3Å; P333-F409 HydrophobicContact CG-CZ 3.97Å; I401-F409 HydrophobicContact CG2-CB 3.81Å; M402-F409 CarbonylContact O-C 3.59Å; M402-F409 VanDerWaalsContact O-CA 3.31Å; M402-F409 WeakPolarHBondContact O-CA 3.36Å; A403-F409 HydrophobicContact CB-CD1 4.16Å; A403-F409 HydrophobicContact CB-CE1 4.23Å
410C94.9Very high91.2Very high18 Ų1837.8 Ų37.812%0.12225%0.248CC..EExtended strand (participates in β ladder)trans-129.1131.5178.7-163.70000109.7N327 V328 I401 M402N327-C410 VanDerWaalsContact CB-SG 3.57Å; N327-C410 PolarHBondContact OD1-SG 3.28Å; V328-C410 WeakPolarHBondContact O-CA 3.37Å; I401-C410 CarbonylContact C-O 3.6Å; I401-C410 WeakPolarHBondContact CA-O 3.43Å; M402-C410 HydrophobicContact CG-CB 4.18Å; M402-C410 PolarHBondContact N-O 2.82Å; M402-C410 PolarHBondContact O-N 2.91Å
411C96.1Very high90.7Very high0 Ų040.1 Ų40.10%027%0.268CS..EExtended strand (participates in β ladder)trans-98.9119.3176.7-174.20000109.3N327 V328 V330 A342 F400 I401N327-C411 CarbonylContact C-O 3.47Å; N327-C411 WeakPolarHBondContact CA-O 3.27Å; N327-C411 WeakPolarHBondContact CB-O 3.38Å; V328-C411 HydrophobicContact CG2-CB 4.17Å; V328-C411 PolarHBondContact N-O 2.9Å; V328-C411 PolarHBondContact O-N 3.01Å; V330-C411 HydrophobicContact CG1-CB 3.61Å; V330-C411 HydrophobicContact CG2-CB 4.38Å; A342-C411 HydrophobicContact CB-CB 4.42Å; F400-C411 CarbonylContact O-C 3.6Å; F400-C411 WeakPolarHBondContact O-CA 3.35Å; I401-C411 HydrophobicContact CG1-CB 4.31Å
412H97.2Very high90.5Very high14 Ų1443.4 Ų43.47%0.06529%0.291CS..EExtended strand (participates in β ladder)trans-96.7134.4173.2-71.7-107.1000109.5Y324 A399 F400 M402 F414Y324-H412 HydrophobicContact CE2-CB 4.44Å; Y324-H412 AromaticContact CZ-ND1 3.92Å; Y324-H412 PolarHBondContact OH-ND1 3.08Å; Y324-H412 VanDerWaalsContact OH-ND1 3.08Å; A399-H412 CarbonylContact C-O 3.55Å; A399-H412 WeakPolarHBondContact CA-O 3.42Å; A399-H412 VanDerWaalsContact CB-O 3.25Å; A399-H412 WeakPolarHBondContact CB-O 3.46Å; F400-H412 HydrophobicContact CD2-CB 4.25Å; F400-H412 HydrophobicContact CE1-CB 4.16Å; F400-H412 HydrophobicContact CE2-CB 3.74Å; F400-H412 AromaticContact CE2-CD2 3.9Å; F400-H412 AromaticContact CE2-CG 3.87Å; F400-H412 HydrophobicContact CZ-CB 3.68Å; F400-H412 PolarHBondContact N-O 3.44Å; F400-H412 PolarHBondContact O-N 2.69Å; M402-H412 PolarHBondContact SD-NE2 3.23Å; H412-F414 HydrophobicContact CB-CE2 3.84Å; H412-F414 HydrophobicContact CB-CZ 4.02Å
413M96.9Very high90.5Very high0 Ų042.5 Ų42.50%029%0.287CS..EExtended strand (participates in β ladder)trans-127.5141.5-170.4-65.9162.7-69.400111.7Y324 L325 G326 V328 A342 L343 V346 A399Y324-M413 WeakPolarHBondContact CD2-O 3.44Å; L325-M413 HydrophobicContact CB-CB 3.9Å; L325-M413 WeakPolarHBondContact CB-O 3.37Å; L325-M413 HydrophobicContact CD1-CB 4Å; L325-M413 PolarHBondContact N-O 2.91Å; G326-M413 PolarHBondContact O-N 2.98Å; G326-M413 VanDerWaalsContact O-N 3.08Å; V328-M413 HydrophobicContact CB-CE 4.32Å; V328-M413 HydrophobicContact CG1-CE 3.9Å; V328-M413 HydrophobicContact CG2-CE 3.7Å; V328-M413 HydrophobicContact CG2-SD 4.39Å; A342-M413 VanDerWaalsContact C-SD 3.54Å; A342-M413 HydrophobicContact CB-SD 3.78Å; L343-M413 HydrophobicContact CD2-CB 3.73Å; L343-M413 HydrophobicContact CD2-CG 3.68Å; L343-M413 HydrophobicContact CD2-SD 4.07Å; L343-M413 HydrophobicContact CG-CG 4.08Å; L343-M413 HydrophobicContact CG-SD 4.22Å; V346-M413 HydrophobicContact CG2-CE 3.63Å; V346-M413 HydrophobicContact CG2-SD 4.06Å; A399-M413 HydrophobicContact CB-CG 3.9Å
414F97.4Very high90.7Very high0 Ų041.8 Ų41.80%028%0.28CS..EExtended strand (participates in β ladder)trans-138.9146.4-174-51.3-89.8000111.1V322 Y323 Y324 V360 I369 T397 F398 F400 H412V322-F414 HydrophobicContact CB-CB 4.49Å; V322-F414 HydrophobicContact CG2-CD1 3.88Å; Y323-F414 WeakPolarHBondContact O-CA 3.23Å; Y324-F414 AromaticContact CD2-CD1 3.73Å; Y324-F414 HydrophobicContact CD2-CD1 3.73Å; Y324-F414 AromaticContact CD2-CE1 3.41Å; Y324-F414 HydrophobicContact CD2-CE1 3.41Å; Y324-F414 VanDerWaalsContact CD2-CE1 3.41Å; Y324-F414 HydrophobicContact CD2-CZ 4.06Å; Y324-F414 HydrophobicContact CE2-CD1 4.48Å; Y324-F414 AromaticContact CE2-CE1 3.86Å; Y324-F414 HydrophobicContact CE2-CE1 3.86Å; Y324-F414 HydrophobicContact CE2-CZ 4.04Å; Y324-F414 HydrophobicContact CG-CE1 4.41Å; V360-F414 HydrophobicContact CG2-CD1 3.76Å; V360-F414 HydrophobicContact CG2-CE1 3.47Å; V360-F414 VanDerWaalsContact CG2-CE1 3.47Å; V360-F414 HydrophobicContact CG2-CZ 4.19Å; I369-F414 HydrophobicContact CD1-CE1 3.8Å; I369-F414 HydrophobicContact CD1-CZ 3.58Å; I369-F414 HydrophobicContact CG1-CE1 3.95Å; I369-F414 HydrophobicContact CG1-CZ 4Å; I369-F414 HydrophobicContact CG2-CE1 4.12Å; T397-F414 WeakPolarHBondContact CA-O 3.38Å; F398-F414 AromaticContact CD1-CD2 3.93Å; F398-F414 HydrophobicContact CD1-CD2 3.93Å; F398-F414 PolarHBondContact N-O 3.02Å; F398-F414 PolarHBondContact O-N 2.93Å; F400-F414 AromaticContact CD1-CE2 3.89Å; F400-F414 HydrophobicContact CD1-CE2 3.89Å; F400-F414 HydrophobicContact CE1-CD2 4.49Å; F400-F414 AromaticContact CE1-CE2 3.37Å; F400-F414 HydrophobicContact CE1-CE2 3.37Å; F400-F414 AromaticContact CE1-CZ 3.74Å; F400-F414 HydrophobicContact CE1-CZ 3.74Å; F400-F414 HydrophobicContact CZ-CE2 4.1Å; F400-F414 HydrophobicContact CZ-CZ 4.15Å; H412-F414 HydrophobicContact CB-CE2 3.84Å; H412-F414 HydrophobicContact CB-CZ 4.02Å
415W96.5Very high90.9Very high22 Ų2244.9 Ų44.98%0.08328%0.282CS..EExtended strand (participates in β ladder)trans-107.2126.2165-176.4-79.2000109.7V322 Y323 L325 L347 W355 D394 H396 T397 E417V322-W415 CarbonylContact C-O 3.57Å; V322-W415 WeakPolarHBondContact CA-O 3.5Å; V322-W415 WeakPolarHBondContact CB-O 3.4Å; Y323-W415 PolarHBondContact N-O 2.86Å; Y323-W415 PolarHBondContact O-N 3.46Å; L325-W415 HydrophobicContact CD1-CB 4.43Å; L347-W415 HydrophobicContact CD2-CE3 4.35Å; L347-W415 HydrophobicContact CD2-CZ3 4.47Å; W355-W415 HydrophobicContact CE3-CB 3.99Å; W355-W415 HydrophobicContact CE3-CD2 4.45Å; W355-W415 HydrophobicContact CE3-CG 4.07Å; W355-W415 AromaticContact CH2-CD2 3.84Å; W355-W415 HydrophobicContact CH2-CD2 3.84Å; W355-W415 AromaticContact CH2-CE3 3.6Å; W355-W415 HydrophobicContact CH2-CE3 3.6Å; W355-W415 HydrophobicContact CH2-CG 4.3Å; W355-W415 HydrophobicContact CH2-CZ3 4.08Å; W355-W415 HydrophobicContact CZ3-CB 3.82Å; W355-W415 AromaticContact CZ3-CD2 3.44Å; W355-W415 HydrophobicContact CZ3-CD2 3.44Å; W355-W415 VanDerWaalsContact CZ3-CD2 3.44Å; W355-W415 AromaticContact CZ3-CE3 3.71Å; W355-W415 HydrophobicContact CZ3-CE3 3.71Å; W355-W415 AromaticContact CZ3-CG 3.47Å; W355-W415 HydrophobicContact CZ3-CG 3.47Å; W355-W415 VanDerWaalsContact CZ3-CG 3.47Å; D394-W415 WeakPolarHBondContact OD2-CH2 3.34Å; H396-W415 HydrophobicContact CB-CD2 3.95Å; H396-W415 HydrophobicContact CB-CE3 4.25Å; H396-W415 HydrophobicContact CB-CH2 3.81Å; H396-W415 HydrophobicContact CB-CZ2 3.49Å; H396-W415 VanDerWaalsContact CB-CZ2 3.49Å; H396-W415 HydrophobicContact CB-CZ3 4.18Å; H396-W415 AromaticContact CG-CZ2 3.71Å; H396-W415 CarbonylContact O-C 3.58Å; H396-W415 WeakPolarHBondContact O-CA 3.33Å; T397-W415 HydrophobicContact CG2-CE3 3.74Å; T397-W415 HydrophobicContact CG2-CZ3 3.79Å; W415-E417 PolarHBondContact NE1-OE1 3.38Å
416C95Very high91.5Very high4 Ų443.7 Ų43.73%0.02727%0.27CS..EExtended strand (participates in β ladder)trans-117.3139.4-172-52.60000110.5V322 H396 N419 A420V322-C416 HydrophobicContact CG1-CB 4.3Å; H396-C416 WeakPolarHBondContact CB-O 3.27Å; H396-C416 PolarHBondContact CD2-O 3.15Å; H396-C416 PolarHBondContact O-N 3.02Å; C416-N419 VanDerWaalsContact CB-O 3.26Å; C416-N419 WeakPolarHBondContact CB-O 3.42Å; C416-A420 HydrophobicContact CB-CB 4.34Å
417E90.3Very high92.2Very high92 Ų9237.2 Ų37.243%0.4323%0.227SC..SBendtrans-122.7131.8176.8-69-72169.400108.7R352 W415R352-E417 IonicContact CZ-OE1 3.99Å; R352-E417 IonicContact NH2-OE1 3.78Å; R352-E417 PolarHBondContact NH2-OE1 2.89Å; W415-E417 PolarHBondContact NE1-OE1 3.38Å
418P89.9Confident92.4Very high101 Ų10136.8 Ų36.866%0.65621%0.21SC*.SBendcis-79.7-12.41.333.2-36.8000114.4H396H396-P418 PolarHBondContact CD2-O 3.39Å; H396-P418 PolarHBondContact NE2-O 3.12Å; H396-P418 VanDerWaalsContact NE2-O 3.07Å
419N93.1Very high92.2Very high64 Ų6435.6 Ų35.634%0.34220%0.203SC..  trans-164.8176.6172.358.658.1000110V395 C416 A421V395-N419 HydrophobicContact CB-CB 4.48Å; V395-N419 HydrophobicContact CG2-CB 4.43Å; C416-N419 VanDerWaalsContact CB-O 3.26Å; C416-N419 WeakPolarHBondContact CB-O 3.42Å; N419-A421 VanDerWaalsContact C-N 3.34Å; N419-A421 PolarHBondContact O-N 2.82Å; N419-A421 WeakPolarHBondContact OD1-CB 3.24Å; N419-A421 PolarHBondContact OD1-N 3.43Å
420A92.5Very high91.9Very high1 Ų134.5 Ų34.51%0.00820%0.2CC..SBendtrans-77.5-10-177.600000115.3V391 V395 F398 C416 S422 L423 S424V391-A420 HydrophobicContact CG1-CB 4.03Å; V391-A420 HydrophobicContact CG2-CB 3.94Å; V395-A420 VanDerWaalsContact O-CB 3.27Å; V395-A420 WeakPolarHBondContact O-CB 3.21Å; V395-A420 PolarHBondContact O-N 3.16Å; F398-A420 HydrophobicContact CB-CB 3.84Å; C416-A420 HydrophobicContact CB-CB 4.34Å; A420-S422 PolarHBondContact O-N 3.18Å; A420-L423 PolarHBondContact O-N 3.48Å; A420-S424 PolarHBondContact O-N 3.4Å; A420-S424 PolarHBondContact O-OG 2.69Å
421A85.9Confident91.4Very high50 Ų5033.8 Ų33.841%0.41320%0.195SC..Hα-helixtrans-56.2-51.3-164.900000112.8N419 L423 S424 E425N419-A421 VanDerWaalsContact C-N 3.34Å; N419-A421 PolarHBondContact O-N 2.82Å; N419-A421 WeakPolarHBondContact OD1-CB 3.24Å; N419-A421 PolarHBondContact OD1-N 3.43Å; A421-L423 PolarHBondContact O-N 3.41Å; A421-S424 WeakPolarHBondContact CA-OG 3.36Å; A421-S424 PolarHBondContact O-N 2.89Å; A421-S424 PolarHBondContact O-OG 3.38Å; A421-E425 VanDerWaalsContact O-CB 3.29Å; A421-E425 WeakPolarHBondContact O-CB 3.46Å; A421-E425 PolarHBondContact O-N 3.07Å
422S90.1Very high90.8Very high70 Ų7038.2 Ų38.249%0.4922%0.217SC..Hα-helixtrans-64.5-38.9-177.1-50.90000112.8A420 A426A420-S422 PolarHBondContact O-N 3.18Å; S422-A426 WeakPolarHBondContact O-CB 3.33Å; S422-A426 PolarHBondContact O-N 3.49Å; S422-A426 VanDerWaalsContact O-N 3.11Å
423L93.1Very high90Very high5 Ų542.3 Ų42.33%0.02624%0.238CC..Hα-helixtrans-70.8-45.3177.5177.560.1000110.9F320 V322 V360 V362 F398 A420 A421 E425 A426 V427F320-L423 HydrophobicContact CB-CD1 4.12Å; F320-L423 HydrophobicContact CD1-CB 4.46Å; F320-L423 HydrophobicContact CD2-CD1 3.63Å; F320-L423 HydrophobicContact CE2-CD1 4.26Å; F320-L423 HydrophobicContact CG-CB 4.34Å; F320-L423 HydrophobicContact CG-CD1 3.91Å; V322-L423 HydrophobicContact CG1-CD2 3.83Å; V360-L423 HydrophobicContact CB-CD1 4.07Å; V360-L423 HydrophobicContact CG1-CD1 3.88Å; V360-L423 HydrophobicContact CG2-CD2 4.49Å; V362-L423 HydrophobicContact CG2-CD1 4Å; F398-L423 HydrophobicContact CD1-CD2 3.58Å; F398-L423 HydrophobicContact CD1-CG 3.83Å; F398-L423 HydrophobicContact CE1-CD2 4.11Å; F398-L423 HydrophobicContact CE1-CG 3.96Å; F398-L423 HydrophobicContact CG-CD2 4.39Å; A420-L423 PolarHBondContact O-N 3.48Å; A421-L423 PolarHBondContact O-N 3.41Å; L423-E425 VanDerWaalsContact C-N 3.32Å; L423-E425 PolarHBondContact O-N 2.88Å; L423-A426 PolarHBondContact O-N 3.16Å; L423-V427 HydrophobicContact CD1-CG2 4Å; L423-V427 HydrophobicContact CG-CG2 4.49Å; L423-V427 WeakPolarHBondContact O-CG2 3.31Å; L423-V427 PolarHBondContact O-N 3.39Å
424S92.1Very high89.1Confident17 Ų1745 Ų4512%0.11925%0.249CC..Hα-helixtrans-60.9-42.3178.754.60000112A420 A421 V427 Q428A420-S424 PolarHBondContact O-N 3.4Å; A420-S424 PolarHBondContact O-OG 2.69Å; A421-S424 WeakPolarHBondContact CA-OG 3.36Å; A421-S424 PolarHBondContact O-N 2.89Å; A421-S424 PolarHBondContact O-OG 3.38Å; S424-V427 PolarHBondContact O-N 3.47Å; S424-Q428 VanDerWaalsContact O-CB 3.24Å; S424-Q428 WeakPolarHBondContact O-CB 3.36Å; S424-Q428 PolarHBondContact O-N 2.92Å
425E87.4Confident87.9Confident135 Ų13548.3 Ų48.363%0.63126%0.262SS*.Hα-helixtrans-64.5-44.7178.5-175.3179.7-175.100111.2A421 L423 V427 Q428 A429A421-E425 VanDerWaalsContact O-CB 3.29Å; A421-E425 WeakPolarHBondContact O-CB 3.46Å; A421-E425 PolarHBondContact O-N 3.07Å; L423-E425 VanDerWaalsContact C-N 3.32Å; L423-E425 PolarHBondContact O-N 2.88Å; E425-V427 PolarHBondContact O-N 3.39Å; E425-Q428 PolarHBondContact O-N 2.88Å; E425-A429 VanDerWaalsContact O-CB 3.31Å; E425-A429 WeakPolarHBondContact O-CB 3.5Å; E425-A429 PolarHBondContact O-N 2.93Å
426A90.4Very high86.8Confident6 Ų651.7 Ų51.75%0.0528%0.278CS..Hα-helixtrans-63.8-41.9178.600000112.6F320 V362 S422 L423 A429 A430F320-A426 HydrophobicContact CE1-CB 4.45Å; F320-A426 HydrophobicContact CE2-CB 3.5Å; F320-A426 VanDerWaalsContact CE2-CB 3.5Å; F320-A426 HydrophobicContact CZ-CB 3.37Å; V362-A426 HydrophobicContact CG1-CB 4.31Å; V362-A426 HydrophobicContact CG2-CB 4.4Å; S422-A426 WeakPolarHBondContact O-CB 3.33Å; S422-A426 PolarHBondContact O-N 3.49Å; S422-A426 VanDerWaalsContact O-N 3.11Å; L423-A426 PolarHBondContact O-N 3.16Å; A426-A429 PolarHBondContact O-N 3.17Å; A426-A430 PolarHBondContact O-N 3.46Å
427V93.8Very high85.8Confident1 Ų157.9 Ų57.91%0.00631%0.305CS..Hα-helixtrans-67.9-41.5176.9177.40000110.7V362 L367 L386 L389 F398 L423 S424 E425 A430 C431V362-V427 HydrophobicContact CG2-CG2 4.03Å; L367-V427 HydrophobicContact CD1-CG1 3.81Å; L367-V427 HydrophobicContact CD1-CG2 4.1Å; L367-V427 HydrophobicContact CD2-CG2 4.14Å; L386-V427 HydrophobicContact CD2-CG1 3.81Å; L389-V427 HydrophobicContact CD2-CG1 4.23Å; F398-V427 HydrophobicContact CE1-CG2 4.11Å; F398-V427 HydrophobicContact CZ-CB 4.1Å; F398-V427 HydrophobicContact CZ-CG1 4.31Å; F398-V427 HydrophobicContact CZ-CG2 4.17Å; L423-V427 HydrophobicContact CD1-CG2 4Å; L423-V427 HydrophobicContact CG-CG2 4.49Å; L423-V427 WeakPolarHBondContact O-CG2 3.31Å; L423-V427 PolarHBondContact O-N 3.39Å; S424-V427 PolarHBondContact O-N 3.47Å; E425-V427 PolarHBondContact O-N 3.39Å; V427-A430 PolarHBondContact O-N 2.57Å; V427-C431 PolarHBondContact O-N 2.76Å; V427-C431 PolarHBondContact O-SG 3.1Å; V427-C431 VanDerWaalsContact O-SG 3.36Å
428Q86.3Confident84.9Confident84 Ų8456.4 Ų56.439%0.39330%0.304SS..Hα-helixtrans-61.1-46175.1-178.3178.3-20.200111.5S424 E425 A430 C431 M432S424-Q428 VanDerWaalsContact O-CB 3.24Å; S424-Q428 WeakPolarHBondContact O-CB 3.36Å; S424-Q428 PolarHBondContact O-N 2.92Å; E425-Q428 PolarHBondContact O-N 2.88Å; Q428-A430 VanDerWaalsContact C-N 3.33Å; Q428-A430 PolarHBondContact O-N 2.84Å; Q428-C431 WeakPolarHBondContact O-CB 3.4Å; Q428-C431 PolarHBondContact O-N 2.78Å; Q428-M432 HydrophobicContact CG-CE 4.28Å; Q428-M432 WeakPolarHBondContact O-CG 3.34Å; Q428-M432 PolarHBondContact O-N 3.3Å
429A85.3Confident83.9Confident34 Ų3454 Ų5428%0.28129%0.285SS..Hα-helixtrans-59.9-42.2176.300000112E425 A426 C431 M432 L433E425-A429 VanDerWaalsContact O-CB 3.31Å; E425-A429 WeakPolarHBondContact O-CB 3.5Å; E425-A429 PolarHBondContact O-N 2.93Å; A426-A429 PolarHBondContact O-N 3.17Å; A429-C431 VanDerWaalsContact C-N 3.35Å; A429-C431 PolarHBondContact O-N 3.27Å; A429-M432 HydrophobicContact CB-CE 4.47Å; A429-M432 PolarHBondContact O-N 2.88Å; A429-L433 WeakPolarHBondContact O-CB 3.46Å; A429-L433 WeakPolarHBondContact O-CG 3.49Å; A429-L433 PolarHBondContact O-N 3.42Å
430A86.5Confident82.6Confident7 Ų754.4 Ų54.46%0.05829%0.287CS..Hα-helixtrans-61.2-42.4175.200000112V362 V383 A426 V427 Q428 R434V362-A430 HydrophobicContact CG1-CB 4.01Å; V383-A430 HydrophobicContact CG2-CB 4.32Å; A426-A430 PolarHBondContact O-N 3.46Å; V427-A430 PolarHBondContact O-N 2.57Å; Q428-A430 VanDerWaalsContact C-N 3.33Å; Q428-A430 PolarHBondContact O-N 2.84Å; A430-R434 WeakPolarHBondContact O-CB 3.31Å; A430-R434 PolarHBondContact O-N 3.37Å; A430-R434 VanDerWaalsContact O-N 3.15Å
431C84.7Confident81.1Confident2 Ų257 Ų571%0.01431%0.309CS..Hα-helixtrans-59.9-51.6173-69.80000111.3F7 V383 V427 Q428 A429 L433 R434 Y435F7-C431 HydrophobicContact CZ-CB 4.16Å; F7-C431 VanDerWaalsContact CZ-O 3.27Å; F7-C431 WeakPolarHBondContact CZ-O 3.18Å; V383-C431 HydrophobicContact CG1-CB 4.39Å; V427-C431 PolarHBondContact O-N 2.76Å; V427-C431 PolarHBondContact O-SG 3.1Å; V427-C431 VanDerWaalsContact O-SG 3.36Å; Q428-C431 WeakPolarHBondContact O-CB 3.4Å; Q428-C431 PolarHBondContact O-N 2.78Å; A429-C431 VanDerWaalsContact C-N 3.35Å; A429-C431 PolarHBondContact O-N 3.27Å; C431-L433 PolarHBondContact O-N 3.43Å; C431-R434 WeakPolarHBondContact O-CB 3.32Å; C431-R434 PolarHBondContact O-N 3.16Å; C431-R434 VanDerWaalsContact O-N 3.16Å; C431-Y435 PolarHBondContact O-N 3.31Å
432M81.4Confident79.6Confident93 Ų9361 Ų6146%0.45831%0.313SS..Hα-helixtrans-58.9-46.7-179-70.2-169.9-62.400112.5Q428 A429 R434 Y435 Q436Q428-M432 HydrophobicContact CG-CE 4.28Å; Q428-M432 WeakPolarHBondContact O-CG 3.34Å; Q428-M432 PolarHBondContact O-N 3.3Å; A429-M432 HydrophobicContact CB-CE 4.47Å; A429-M432 PolarHBondContact O-N 2.88Å; M432-R434 VanDerWaalsContact C-N 3.27Å; M432-R434 PolarHBondContact O-N 2.81Å; M432-Y435 WeakPolarHBondContact O-CB 3.32Å; M432-Y435 PolarHBondContact O-N 3.49Å; M432-Y435 VanDerWaalsContact O-N 3.14Å; M432-Q436 PolarHBondContact O-N 3.09Å
433L81.2Confident77.4Confident100 Ų10060.4 Ų60.452%0.52431%0.309SS..Hα-helixtrans-60.5-38.4177.5-74.6173.1000112.2A429 C431 Y435 K437A429-L433 WeakPolarHBondContact O-CB 3.46Å; A429-L433 WeakPolarHBondContact O-CG 3.49Å; A429-L433 PolarHBondContact O-N 3.42Å; C431-L433 PolarHBondContact O-N 3.43Å; L433-Y435 VanDerWaalsContact C-N 3.34Å; L433-K437 WeakPolarHBondContact O-CG 3.37Å; L433-K437 PolarHBondContact O-N 3.33Å; L433-K437 VanDerWaalsContact O-N 3.1Å
434R78Confident75.1Confident57 Ų5767.1 Ų67.122%0.21534%0.341CS..Hα-helixtrans-65.9-39.8177.1-173.1175.8-168.9109.511.1111.7A365 V383 A430 C431 M432 C438A365-R434 PolarHBondContact O-NH1 3.26Å; V383-R434 HydrophobicContact CG1-CB 4.11Å; A430-R434 WeakPolarHBondContact O-CB 3.31Å; A430-R434 PolarHBondContact O-N 3.37Å; A430-R434 VanDerWaalsContact O-N 3.15Å; C431-R434 WeakPolarHBondContact O-CB 3.32Å; C431-R434 PolarHBondContact O-N 3.16Å; C431-R434 VanDerWaalsContact O-N 3.16Å; M432-R434 VanDerWaalsContact C-N 3.27Å; M432-R434 PolarHBondContact O-N 2.81Å; R434-C438 PolarHBondContact O-N 3.38Å; R434-C438 PolarHBondContact O-SG 3.26Å
435Y72.9Confident72.7Confident70 Ų7071 Ų7128%0.27536%0.364SS..Hα-helixtrans-67.1-45.8176.9178-108.8000112.5F7 C431 M432 L433 K437 C438 L439F7-Y435 HydrophobicContact CB-CD2 4.21Å; F7-Y435 HydrophobicContact CB-CE2 4.25Å; F7-Y435 HydrophobicContact CD1-CD1 4.25Å; F7-Y435 AromaticContact CD1-CD2 3.32Å; F7-Y435 HydrophobicContact CD1-CD2 3.32Å; F7-Y435 AromaticContact CD1-CE2 3.94Å; F7-Y435 HydrophobicContact CD1-CE2 3.94Å; F7-Y435 AromaticContact CD1-CG 3.51Å; F7-Y435 HydrophobicContact CD1-CG 3.51Å; F7-Y435 HydrophobicContact CD2-CD2 4.22Å; F7-Y435 HydrophobicContact CE1-CD1 4.32Å; F7-Y435 AromaticContact CE1-CD2 3.79Å; F7-Y435 HydrophobicContact CE1-CD2 3.79Å; F7-Y435 AromaticContact CE1-CG 3.54Å; F7-Y435 HydrophobicContact CE1-CG 3.54Å; F7-Y435 AromaticContact CG-CD2 3.6Å; F7-Y435 HydrophobicContact CG-CD2 3.6Å; F7-Y435 HydrophobicContact CG-CE2 4.13Å; F7-Y435 HydrophobicContact CG-CG 4.23Å; F7-Y435 HydrophobicContact CZ-CD2 4.39Å; F7-Y435 HydrophobicContact CZ-CG 4.23Å; C431-Y435 PolarHBondContact O-N 3.31Å; M432-Y435 WeakPolarHBondContact O-CB 3.32Å; M432-Y435 PolarHBondContact O-N 3.49Å; M432-Y435 VanDerWaalsContact O-N 3.14Å; L433-Y435 VanDerWaalsContact C-N 3.34Å; Y435-K437 VanDerWaalsContact C-N 3.3Å; Y435-K437 PolarHBondContact O-N 2.79Å; Y435-C438 CarbonylContact O-C 3.6Å; Y435-C438 WeakPolarHBondContact O-CA 3.48Å; Y435-C438 WeakPolarHBondContact O-CB 3.43Å; Y435-C438 PolarHBondContact O-N 2.99Å; Y435-L439 HydrophobicContact CD1-CD1 3.9Å; Y435-L439 HydrophobicContact CD1-CG 4.28Å; Y435-L439 HydrophobicContact CE1-CD1 3.31Å; Y435-L439 HydrophobicContact CE1-CD2 4.45Å; Y435-L439 HydrophobicContact CE1-CG 3.91Å; Y435-L439 HydrophobicContact CE2-CD1 4.49Å; Y435-L439 HydrophobicContact CE2-CD2 4.22Å; Y435-L439 HydrophobicContact CE2-CG 4.27Å; Y435-L439 PolarHBondContact O-N 2.85Å
436Q73.1Confident70.6Confident92 Ų9269.3 Ų69.343%0.4337%0.367SS..Hα-helixtrans-55.2-47.8175.9-171.459.447.900111M432 C438 L439 D440M432-Q436 PolarHBondContact O-N 3.09Å; Q436-C438 PolarHBondContact O-N 3.34Å; Q436-L439 WeakPolarHBondContact O-CB 3.34Å; Q436-L439 PolarHBondContact O-N 2.81Å; Q436-D440 PolarHBondContact NE2-OD1 2.81Å; Q436-D440 VanDerWaalsContact O-CG 3.24Å; Q436-D440 PolarHBondContact O-N 2.7Å
437K73.8Confident68.3Low135 Ų13574.2 Ų74.259%0.58740%0.397SS*.Hα-helixtrans-58.1-32.9175.2-74.1178.7179.3-179.70113.4L433 Y435 A441L433-K437 WeakPolarHBondContact O-CG 3.37Å; L433-K437 PolarHBondContact O-N 3.33Å; L433-K437 VanDerWaalsContact O-N 3.1Å; Y435-K437 VanDerWaalsContact C-N 3.3Å; Y435-K437 PolarHBondContact O-N 2.79Å; K437-A441 WeakPolarHBondContact O-CB 3.48Å; K437-A441 PolarHBondContact O-N 2.87Å; K437-A441 VanDerWaalsContact O-N 3.14Å
438C70.7Confident65.4Low60 Ų6077.7 Ų77.741%0.40542%0.421SS..Hα-helixtrans-75.9-33.1177-65.50000112.3R434 Y435 Q436 R442R434-C438 PolarHBondContact O-N 3.38Å; R434-C438 PolarHBondContact O-SG 3.26Å; Y435-C438 CarbonylContact O-C 3.6Å; Y435-C438 WeakPolarHBondContact O-CA 3.48Å; Y435-C438 WeakPolarHBondContact O-CB 3.43Å; Y435-C438 PolarHBondContact O-N 2.99Å; Q436-C438 PolarHBondContact O-N 3.34Å; C438-R442 PolarHBondContact O-N 3.09Å
439L69.2Low63.1Low51 Ų5179.5 Ų79.527%0.26744%0.441SS..Hα-helixtrans-70.1-45.7172.8-68.8-175.4000111.5Y435 Q436 A441 R442 S443Y435-L439 HydrophobicContact CD1-CD1 3.9Å; Y435-L439 HydrophobicContact CD1-CG 4.28Å; Y435-L439 HydrophobicContact CE1-CD1 3.31Å; Y435-L439 HydrophobicContact CE1-CD2 4.45Å; Y435-L439 HydrophobicContact CE1-CG 3.91Å; Y435-L439 HydrophobicContact CE2-CD1 4.49Å; Y435-L439 HydrophobicContact CE2-CD2 4.22Å; Y435-L439 HydrophobicContact CE2-CG 4.27Å; Y435-L439 PolarHBondContact O-N 2.85Å; Q436-L439 WeakPolarHBondContact O-CB 3.34Å; Q436-L439 PolarHBondContact O-N 2.81Å; L439-A441 VanDerWaalsContact C-N 3.33Å; L439-A441 PolarHBondContact O-N 3.42Å; L439-R442 CarbonylContact O-C 3.54Å; L439-R442 WeakPolarHBondContact O-CA 3.11Å; L439-R442 WeakPolarHBondContact O-CB 3.39Å; L439-R442 PolarHBondContact O-N 2.85Å; L439-S443 PolarHBondContact O-N 2.87Å
440D66.7Low60.6Low72 Ų7285.1 Ų85.139%0.38547%0.466SS..Hα-helixtrans-63.4-39.4179.3-63.2-22.8000111.8Q436 R442 S443 Q444Q436-D440 PolarHBondContact NE2-OD1 2.81Å; Q436-D440 VanDerWaalsContact O-CG 3.24Å; Q436-D440 PolarHBondContact O-N 2.7Å; D440-R442 PolarHBondContact O-N 3.13Å; D440-S443 WeakPolarHBondContact CA-OG 3.41Å; D440-S443 PolarHBondContact O-N 2.73Å; D440-S443 PolarHBondContact O-OG 3.15Å; D440-Q444 WeakPolarHBondContact O-CG 3.27Å; D440-Q444 PolarHBondContact O-N 3.2Å; D440-Q444 VanDerWaalsContact O-N 3.16Å
441A59.7Low58.1Low57 Ų5790.5 Ų90.547%0.47150%0.5SS..Hα-helixtrans-63.3-31173.600000112.4K437 L439K437-A441 WeakPolarHBondContact O-CB 3.48Å; K437-A441 PolarHBondContact O-N 2.87Å; K437-A441 VanDerWaalsContact O-N 3.14Å; L439-A441 VanDerWaalsContact C-N 3.33Å; L439-A441 PolarHBondContact O-N 3.42Å
442R54.3Low55.7Low132 Ų13294.7 Ų94.750%0.49854%0.535SS..Hα-helixtrans-78.3-37.7176.1-95.5171.167.8-138.33.7112.6C438 L439 D440 Q444 T445 S446C438-R442 PolarHBondContact O-N 3.09Å; L439-R442 CarbonylContact O-C 3.54Å; L439-R442 WeakPolarHBondContact O-CA 3.11Å; L439-R442 WeakPolarHBondContact O-CB 3.39Å; L439-R442 PolarHBondContact O-N 2.85Å; D440-R442 PolarHBondContact O-N 3.13Å; R442-Q444 VanDerWaalsContact C-N 3.28Å; R442-Q444 PolarHBondContact O-N 3.25Å; R442-T445 WeakPolarHBondContact CA-OG1 3.32Å; R442-T445 PolarHBondContact O-N 2.75Å; R442-T445 VanDerWaalsContact O-N 3.07Å; R442-T445 PolarHBondContact O-OG1 2.61Å; R442-S446 PolarHBondContact O-N 2.75Å; R442-S446 VanDerWaalsContact O-N 3.16Å; R442-S446 PolarHBondContact O-OG 3.21Å
443S45.3Very low53.7Low58 Ų5895.6 Ų95.641%0.40655%0.548SS..Hα-helixtrans-63.7-36.717766.40000111.4L439 D440 T445 S446 T447L439-S443 PolarHBondContact O-N 2.87Å; D440-S443 WeakPolarHBondContact CA-OG 3.41Å; D440-S443 PolarHBondContact O-N 2.73Å; D440-S443 PolarHBondContact O-OG 3.15Å; S443-T445 VanDerWaalsContact C-N 3.29Å; S443-T445 PolarHBondContact O-N 2.82Å; S443-S446 WeakPolarHBondContact CA-OG 3.42Å; S443-S446 PolarHBondContact O-N 2.96Å; S443-S446 PolarHBondContact O-OG 3.38Å; S443-T447 PolarHBondContact O-N 2.95Å; S443-T447 PolarHBondContact O-OG1 2.71Å; S443-T447 VanDerWaalsContact O-OG1 3.07Å
444Q43.7Very low51.4Low146 Ų14697 Ų9768%0.68256%0.563SS**Hα-helixtrans-65.2-27.7172-70.2-171.2-100113.8D440 R442D440-Q444 WeakPolarHBondContact O-CG 3.27Å; D440-Q444 PolarHBondContact O-N 3.2Å; D440-Q444 VanDerWaalsContact O-N 3.16Å; R442-Q444 VanDerWaalsContact C-N 3.28Å; R442-Q444 PolarHBondContact O-N 3.25Å
445T42.1Very low49.4Very low98 Ų9899 Ų9960%0.60159%0.592SS**Hα-helixtrans-81.6-17.7173.852.40000114R442 S443 S448R442-T445 WeakPolarHBondContact CA-OG1 3.32Å; R442-T445 PolarHBondContact O-N 2.75Å; R442-T445 VanDerWaalsContact O-N 3.07Å; R442-T445 PolarHBondContact O-OG1 2.61Å; S443-T445 VanDerWaalsContact C-N 3.29Å; S443-T445 PolarHBondContact O-N 2.82Å; T445-S448 PolarHBondContact O-OG 2.89Å
446S44.1Very low47.6Very low100 Ų100104.3 Ų104.370%0.69962%0.619SS**Hα-helixtrans-87.4-14.6174.8450000114.3R442 S443R442-S446 PolarHBondContact O-N 2.75Å; R442-S446 VanDerWaalsContact O-N 3.16Å; R442-S446 PolarHBondContact O-OG 3.21Å; S443-S446 WeakPolarHBondContact CA-OG 3.42Å; S443-S446 PolarHBondContact O-N 2.96Å; S443-S446 PolarHBondContact O-OG 3.38Å
447T41.4Very low45.7Very low110 Ų110106 Ų10668%0.67564%0.641SS**SBendtrans-109.912.6172.835.40000113.6S443 C449S443-T447 PolarHBondContact O-N 2.95Å; S443-T447 PolarHBondContact O-OG1 2.71Å; S443-T447 VanDerWaalsContact O-OG1 3.07Å; T447-C449 VanDerWaalsContact C-N 3.35Å; T447-C449 PolarHBondContact O-N 3.37Å
448S34Very low43.9Very low74 Ų74106.6 Ų106.652%0.51766%0.656SS.*  trans-78.887.916971.30000109.9T445 L450T445-S448 PolarHBondContact O-OG 2.89Å; S448-L450 PolarHBondContact O-N 3.02Å
449C36.8Very low42.1Very low121 Ų121107.5 Ų107.582%0.81867%0.667SS**  trans-53.3107.8153.7-450000106.7T447T447-C449 VanDerWaalsContact C-N 3.35Å; T447-C449 PolarHBondContact O-N 3.37Å
450L32.7Very low40.7Very low152 Ų152116.1 Ų116.180%0.79670%0.696SS**PPolyproline II helixtrans-54.6135.4167.8-65.2172.7000107.9S448 A452S448-L450 PolarHBondContact O-N 3.02Å; L450-A452 PolarHBondContact O-N 3.29Å
451P34Very low39.3Very low121 Ų121124.1 Ų124.179%0.78672%0.721SS**PPolyproline II helixtrans-57.8128.1165.8-15.227.4000107.7
452A35.4Very low38.2Very low89 Ų89128.6 Ų128.674%0.73674%0.742SS**PPolyproline II helixtrans-53.7135.4169.500000108.8L450L450-A452 PolarHBondContact O-N 3.29Å
453P38.3Very low37.1Very low113 Ų113125.5 Ų125.573%0.73475%0.752SS**PPolyproline II helixtrans-61.2143173.126.7-31.7000108.8A455P453-A455 PolarHBondContact O-N 3.34Å
454P33Very low36.4Very low128 Ų128133.5 Ų133.583%0.83177%0.773SS**PPolyproline II helixtrans-60.5128.7-178.723.3-30.6000109.9E456P454-E456 PolarHBondContact O-N 3.14Å
455A35.3Very low35.9Very low100 Ų100132.9 Ų132.983%0.82678%0.78SS**SBendtrans-71.196.3175.500000109.3P453P453-A455 PolarHBondContact O-N 3.34Å
456E36.8Very low35.5Very low182 Ų182133.8 Ų133.885%0.8579%0.785SS**  trans-177.598.3140.7-104.1-178.5-167.600109.8P454P454-E456 PolarHBondContact O-N 3.14Å
457S32.2Very low35.1Very low127 Ų127139.6 Ų139.689%0.88879%0.791SS**  trans-164.386.8153.3-82.70000107.7
458V35.6Very low34.9Very low148 Ų148145.7 Ų145.790%0.89780%0.802SS**  trans-71.5132.9173.1176.10000109.2
459A32.8Very low34.6Very low79 Ų79146.1 Ų146.165%0.65382%0.818SS**  trans117.7117.3161.500000112.5
460R40Very low34.5Very low231 Ų231146 Ų14687%0.87281%0.814SS**  cis-148.9125.417-63.3177172.189.6-1.6107.4
461R37.8Very low34.3Very low240 Ų240147.2 Ų147.291%0.90682%0.815SS**  41.693.493.8-161.4-172.9-64.3-144.12.7115.7
462V36.6Very low34.3Very low151 Ų151146.5 Ų146.592%0.91581%0.813SS**  -151.7108116.9-172.10000104
463G30.6Very low34.1Very low68 Ų68149 Ų14970%0.70181%0.813SS**  112.268.35200000108.4
464W30.8Very low33.9Very low225 Ų225155.1 Ų155.185%0.85282%0.821SS**  trans-69.2138.8172.1-176.2-35.5000110.4
465T33.8Very low33.7Very low134 Ų134152.6 Ų152.682%0.82282%0.819SS**  trans-154.198.6147.616.80000108.5
466V32.6Very low33.5Very low116 Ų116153.6 Ų153.670%0.70382%0.82SS**  71.2127.792.1175.70000114.2
467R36.7Very low33.2Very low223 Ų223151.7 Ų151.784%0.84282%0.815SS**  trans-60.8155.5177.6-68.8175.7166.5-173.9-4.2114.2
468R37.3Very low33.2Very low238 Ų238154.5 Ų154.590%0.89881%0.811SS**  trans68.5111.2147.3-85.1-175.9179.8-176.7-0.5118.7
469G27.3Very low33.6Very low83 Ų83152.9 Ų152.986%0.85680%0.804SS**  trans-127.8124.9146.200000109.2
470V33.9Very low33.5Very low119 Ų119158.1 Ų158.172%0.72181%0.811SS**  trans-96.8149.4172.7157.20000108.3
471Q30.3Very low33.3Very low177 Ų177158.7 Ų158.783%0.82781%0.814SS**  trans75.5109.3168.6-76164.914.300118
472S32.3Very low33Very low105 Ų105154.9 Ų154.973%0.73481%0.811SS**  163.41388852.20000114
473L31.7Very low32.8Very low141 Ų141151 Ų15174%0.73880%0.801SS**  trans72.8125.2140.6-69.5159000123.1
474W34.1Very low32.9Very low242 Ų242153.9 Ų153.992%0.91781%0.81SS**  trans78.4130.7152.9-620.8000116.1
475G28.5Very low33.3Very low75 Ų75151.2 Ų151.277%0.77381%0.807SS**  cis157.4159.511.700000107.4
476S31.4Very low33.3Very low122 Ų122150.2 Ų150.285%0.85380%0.801SS**  trans10186.2166.9-145.10000119.7
477L31.4Very low34.3Very low141 Ų141154 Ų15474%0.73883%0.828SS**  trans-2.2124.5132.3-66.5155.9000120.5
478K32.7Very low34.2Very low187 Ų187150.6 Ų150.681%0.81383%0.828SS**  69.3163.8129.4-75.7-173.4-177.7177.60120.3
479P43Very low34Very low114 Ų114145.9 Ų145.974%0.7482%0.824SS**  cis-140.3167.7-17.329.3-6.4000117.7
480K30.9Very low34.4Very low188 Ų188149.4 Ų149.482%0.81782%0.822SS**  trans23.6135.2144.2-86.3178.8168.7178.80122.5
481R35Very low34.4Very low243 Ų243151.2 Ų151.292%0.91783%0.828SS**  -172.4114.3111.7-96.4176.8-158-154.95.8109.3
482L32.8Very low34.7Very low161 Ų161149.6 Ų149.684%0.84383%0.828SS**  55.8103.995.7-113.4103.2000116.7
483G32.3Very low34.9Very low69 Ų69152.6 Ų152.671%0.71183%0.834SS**  74.6123.5123.900000120.1
484S32.4Very low35.1Very low129 Ų129153.4 Ų153.490%0.90284%0.841SS**  175.7147.3107.841.80000111.3
485Q39.3Very low35.2Very low168 Ų168146.6 Ų146.679%0.78584%0.835SS**  trans-81.9158.3179.8-82.3-169.3-11.500112.8
486T32.5Very low35.7Very low114 Ų114152.6 Ų152.670%0.69984%0.841SS**  trans75.6154.1142.348.50000118.6
487P55Low36.1Very low195 Ų195155.4 Ų155.4100%1.26684%0.839SS**  -104.1073.814.6-0.2000115.3

Retrieved 487 of 487 residues in 155 ms (Link to these results)