A0A087XMI8_POEFO Loading...

Ring finger protein 215

AlphaFold DB , UniProt , Accession A0A087XMI8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 365 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
1M33.6Very low36Very low248 Ų248161.8 Ų161.8100%1.22287%0.869SS**  01060-80.2170.8163.300107.8S3M1-S3 PolarHBondContact O-N 3.08Å
2A34Very low36.6Very low109 Ų109157.6 Ų157.690%0.90186%0.856SS**  trans-72.7119-176.900000109.9
3S29.4Very low37.1Very low107 Ų107150.3 Ų150.375%0.74882%0.824SS**  trans-92.3102.6169.5-171.90000108.1M1 R5M1-S3 PolarHBondContact O-N 3.08Å; S3-R5 PolarHBondContact O-N 3.26Å
4A41.8Very low37.9Very low98 Ų98146.4 Ų146.481%0.8181%0.81SS**  trans-63.7110.4170.800000109.3
5R37.8Very low38.4Very low224 Ų224142.3 Ų142.385%0.84579%0.79SS**  trans-93.5112.4166.1-77.6-173.5174.8-173.3-1.2108.7S3 F7S3-R5 PolarHBondContact O-N 3.26Å; R5-F7 PolarHBondContact O-N 3.08Å
6R40.1Very low38.9Very low246 Ų246139.3 Ų139.393%0.92878%0.777SS**  trans-55.2121.5175.3-67.2173.2176.8170.9-2.3109.6C8R6-C8 PolarHBondContact O-N 2.77Å
7F34Very low39.4Very low205 Ų205136.9 Ų136.990%0.89977%0.766SS**  trans-70.6108.1164.2-87.8-92.8000108.2R5 L9R5-F7 PolarHBondContact O-N 3.08Å; F7-L9 PolarHBondContact O-N 3.15Å
8C33.5Very low39.4Very low115 Ų115135.6 Ų135.678%0.77776%0.756SS**  trans-78.7102.1167.3-137.30000106.7R6 C10R6-C8 PolarHBondContact O-N 2.77Å; C8-C10 VanDerWaalsContact C-N 3.27Å; C8-C10 PolarHBondContact O-N 3.12Å
9L37.3Very low39.3Very low157 Ų157135.2 Ų135.282%0.82275%0.752SS**  trans-65.291.9165.2-74.1163000107.3F7 L11F7-L9 PolarHBondContact O-N 3.15Å; L9-L11 VanDerWaalsContact C-N 3.26Å; L9-L11 PolarHBondContact O-N 3.31Å
10C35Very low39.2Very low121 Ų121135.4 Ų135.482%0.81875%0.751SS**  trans-66.695.7162.1-72.10000107.2C8C8-C10 VanDerWaalsContact C-N 3.27Å; C8-C10 PolarHBondContact O-N 3.12Å
11L39.9Very low39.1Very low150 Ų150135.6 Ų135.679%0.78575%0.75SS**  trans-42.5143.1163.5-77132.5000110.2L9 S13L9-L11 VanDerWaalsContact C-N 3.26Å; L9-L11 PolarHBondContact O-N 3.31Å; L11-S13 PolarHBondContact O-N 3.05Å
12P42.3Very low39.3Very low111 Ų111134.2 Ų134.272%0.72173%0.731SS**  trans-60.4135.5168.528.8-31.8000108.4
13S43.2Very low39.1Very low63 Ų63139.7 Ų139.744%0.44173%0.728SS.*  trans-41.4138.41801750000113.2L11 V15 V16L11-S13 PolarHBondContact O-N 3.05Å; S13-V15 PolarHBondContact O-N 3.34Å; S13-V15 VanDerWaalsContact OG-CG2 3.31Å; S13-V15 WeakPolarHBondContact OG-CG2 3.29Å; S13-V15 PolarHBondContact OG-N 3.33Å; S13-V16 PolarHBondContact O-N 3.33Å
14P48.9Very low39.5Very low95 Ų95140.7 Ų140.762%0.61773%0.732SS**Hα-helixtrans-60.4-9.1177.126-34.5000113.6L18P14-L18 PolarHBondContact O-N 3.44Å
15V45.4Very low39.1Very low85 Ų85138.9 Ų138.952%0.51572%0.723SS.*Hα-helixtrans-70.1-28.3179.1-177.70000112.5S13 L19S13-V15 PolarHBondContact O-N 3.34Å; S13-V15 VanDerWaalsContact OG-CG2 3.31Å; S13-V15 WeakPolarHBondContact OG-CG2 3.29Å; S13-V15 PolarHBondContact OG-N 3.33Å; V15-L19 HydrophobicContact CG1-CD1 4.28Å; V15-L19 PolarHBondContact O-N 2.97Å
16V46.2Very low38.9Very low95 Ų95135.6 Ų135.658%0.57672%0.721SS**Hα-helixtrans-77.7-32.9179.7-178.90000111.6S13S13-V16 PolarHBondContact O-N 3.33Å
17V46.6Very low38.5Very low99 Ų99132.1 Ų132.160%0.672%0.721SS**Hα-helixtrans-74.3-33.8175.9179.80000111.2L21V17-L21 HydrophobicContact CG1-CD1 4.49Å
18L40.8Very low38.6Very low113 Ų113126.1 Ų126.159%0.59270%0.701SS**Hα-helixtrans-74.5-20.7177.6-81162.3000114.3P14P14-L18 PolarHBondContact O-N 3.44Å
19L36.6Very low38.8Very low128 Ų128124.4 Ų124.467%0.6769%0.694SS**Hα-helixtrans-81.3-22.3176.5-82.3165.4000113.5V15V15-L19 HydrophobicContact CG1-CD1 4.28Å; V15-L19 PolarHBondContact O-N 2.97Å
20L37.2Very low39.3Very low139 Ų139119.4 Ų119.473%0.72868%0.676SS**Hα-helixtrans-81.7-18.7171.9-69173.2000112.9
21L38.6Very low40.5Very low139 Ų139117.1 Ų117.173%0.72865%0.653SS**THydrogen-bonded Turntrans-90.13.5177.8-73.6167000113.9V17V17-L21 HydrophobicContact CG1-CD1 4.49Å
22R36.3Very low41.8Very low219 Ų219112.4 Ų112.483%0.82663%0.627SS**  trans-125.940.2-174.3-145.9-176.1-176.9-167.80.8113.2P24R22-P24 WeakPolarHBondContact O-CD 3.34Å
23W31.2Very low43.5Very low225 Ų225107.9 Ų107.985%0.85260%0.597SS**  trans-96104.7159.5-122.5-33.2000108.8G25W23-G25 PolarHBondContact O-N 2.78Å
24P36.5Very low45.4Very low128 Ų128104.9 Ų104.983%0.83158%0.576SS**THydrogen-bonded Turntrans-7686.7165.430.1-25.9000106.6R22R22-P24 WeakPolarHBondContact O-CD 3.34Å
25G34.7Very low47Very low60 Ų60101.8 Ų101.862%0.61955%0.554SS**THydrogen-bonded Turntrans-159.2-12-174.700000116.2W23W23-G25 PolarHBondContact O-N 2.78Å
26L32.7Very low49Very low154 Ų15497.7 Ų97.781%0.80653%0.53SS*.  trans-112.283.6165.1-102.677.1000108.1V28L26-V28 PolarHBondContact O-N 3.31Å
27L32.2Very low50.9Low174 Ų17496.6 Ų96.691%0.91152%0.518SS*.  trans-67.394.4146.2-83.3162.1000104.6A29L27-A29 PolarHBondContact O-N 3.1Å; L27-A29 VanDerWaalsContact O-N 3.08Å
28V35Very low52.9Low79 Ų7992 Ų9248%0.47949%0.49SS..  trans-57.1112.5159.6175.50000104.4L26 A30L26-V28 PolarHBondContact O-N 3.31Å; V28-A30 PolarHBondContact O-N 2.97Å
29A38.4Very low55Low78 Ų7889.2 Ų89.265%0.64547%0.474SS*.  trans-60.8111.5168.900000105.8L27 E31L27-A29 PolarHBondContact O-N 3.1Å; L27-A29 VanDerWaalsContact O-N 3.08Å; A29-E31 PolarHBondContact O-N 2.94Å; A29-E31 VanDerWaalsContact O-N 3.12Å
30A47.3Very low57.4Low53 Ų5385.5 Ų85.544%0.43845%0.454SS..  trans-68.9107.6169.600000106.1V28 Q32V28-A30 PolarHBondContact O-N 2.97Å; A30-Q32 PolarHBondContact O-N 3.03Å
31E60.2Low59.4Low72 Ų7285 Ų8534%0.33645%0.448SS..EExtended strand (participates in β ladder)trans-75.2118.2176.7-158.5171.5-170.900107.7A29 I199 Q201A29-E31 PolarHBondContact O-N 2.94Å; A29-E31 VanDerWaalsContact O-N 3.12Å; E31-I199 PolarHBondContact O-N 2.98Å; E31-Q201 PolarHBondContact OE2-NE2 2.98Å; E31-Q201 PolarHBondContact OE2-OE1 3.5Å
32Q67.9Low61Low52 Ų5285.3 Ų85.324%0.24345%0.446CS..EExtended strand (participates in β ladder)trans-84.6121.6179.8-167.8172.818.100109.5A30 V54 Y196A30-Q32 PolarHBondContact O-N 3.03Å; Q32-V54 HydrophobicContact CB-CB 4.42Å; Q32-V54 HydrophobicContact CG-CG2 4.33Å; Q32-V54 WeakPolarHBondContact O-CB 3.38Å; Q32-V54 PolarHBondContact O-N 3.04Å; Q32-Y196 HydrophobicContact CG-CD1 4.48Å
33V78Confident62.6Low15 Ų1580.7 Ų80.79%0.09143%0.434CS..EExtended strand (participates in β ladder)trans-106.1138.7178.61790000109.3Q51 G52 E197 I199V33-Q51 HydrophobicContact CG1-CG 3.74Å; V33-G52 WeakPolarHBondContact CG1-O 3.34Å; V33-E197 PolarHBondContact N-O 3.47Å; V33-E197 PolarHBondContact O-N 3Å; V33-I199 HydrophobicContact CB-CD1 4.07Å; V33-I199 HydrophobicContact CB-CG1 4.4Å; V33-I199 HydrophobicContact CG2-CD1 3.54Å; V33-I199 HydrophobicContact CG2-CG1 4.03Å
34A82Confident64.2Low0 Ų074.6 Ų74.60%042%0.423CS..EExtended strand (participates in β ladder)trans-105.2126.9173.100000110.5G52 V54 I169 I194 T195 Y196A34-G52 PolarHBondContact N-O 3.38Å; A34-G52 PolarHBondContact O-N 2.87Å; A34-V54 HydrophobicContact CB-CG2 3.53Å; A34-I169 HydrophobicContact CB-CD1 3.97Å; A34-I169 HydrophobicContact CB-CG1 3.97Å; A34-I169 HydrophobicContact CB-CG2 3.96Å; A34-I194 HydrophobicContact CB-CG2 4.21Å; A34-T195 CarbonylContact C-O 3.58Å; A34-T195 WeakPolarHBondContact CA-O 3.25Å; A34-Y196 HydrophobicContact CB-CD1 4.17Å; A34-Y196 HydrophobicContact CB-CE1 4.15Å
35L83.5Confident65.6Low30 Ų3073.2 Ų73.216%0.15742%0.423CS..EExtended strand (participates in β ladder)trans-94.9125.6168-66.8172.8000108.3L49 Q51 I194 T195 E197L35-L49 HydrophobicContact CB-CD1 4.3Å; L35-L49 HydrophobicContact CD2-CD1 4.46Å; L35-Q51 HydrophobicContact CD2-CB 4.32Å; L35-Q51 HydrophobicContact CD2-CG 4.2Å; L35-I194 WeakPolarHBondContact O-CA 3.5Å; L35-T195 WeakPolarHBondContact CB-OG1 3.46Å; L35-T195 PolarHBondContact N-O 2.87Å; L35-T195 PolarHBondContact O-N 3.14Å; L35-E197 VanDerWaalsContact CD1-CD 3.47Å; L35-E197 HydrophobicContact CD1-CG 4.15Å; L35-E197 WeakPolarHBondContact CD1-OE1 3.06Å
36V86.8Confident67.4Low0 Ų074.5 Ų74.50%042%0.418CS..EExtended strand (participates in β ladder)trans-116.9104.9-177.3-173.20000108.6V38 L50 I145 I169 I171 A192 K193 I194V36-V38 HydrophobicContact CG1-CG2 4.05Å; V36-L50 HydrophobicContact CB-CB 4.29Å; V36-L50 PolarHBondContact N-O 2.98Å; V36-L50 PolarHBondContact O-N 3.19Å; V36-I145 HydrophobicContact CG1-CD1 4Å; V36-I169 HydrophobicContact CG2-CD1 4.25Å; V36-I169 HydrophobicContact CG2-CG2 4.18Å; V36-I171 HydrophobicContact CB-CD1 4.3Å; V36-I171 HydrophobicContact CG2-CD1 4.06Å; V36-A192 HydrophobicContact CG1-CB 4.04Å; V36-K193 WeakPolarHBondContact CA-O 3.46Å; V36-I194 HydrophobicContact CG1-CG1 4.33Å; V36-I194 HydrophobicContact CG2-CG1 4.21Å
37E86.6Confident69.5Low72 Ų7270 Ų7034%0.33640%0.4SS..EExtended strand (participates in β ladder)trans-88.5123.7172.2-70.9-174.4168.500109.9F39 L49 A192 K193E37-F39 HydrophobicContact CB-CE2 3.92Å; E37-F39 HydrophobicContact CB-CZ 4.2Å; E37-L49 HydrophobicContact CG-CD1 3.48Å; E37-L49 VanDerWaalsContact CG-CD1 3.48Å; E37-A192 CarbonylContact O-C 3.59Å; E37-A192 VanDerWaalsContact O-CA 3.3Å; E37-A192 WeakPolarHBondContact O-CA 3.3Å; E37-K193 HydrophobicContact CB-CB 4.43Å; E37-K193 PolarHBondContact N-O 2.9Å; E37-K193 PolarHBondContact O-N 3.2Å
38V87.9Confident71.9Confident2 Ų263.5 Ų63.51%0.01237%0.367CS..EExtended strand (participates in β ladder)trans-112.8131.5-178-176.40000110.8V36 S47 T48 L50 L79 L180 A190 T191 A192V36-V38 HydrophobicContact CG1-CG2 4.05Å; V38-S47 CarbonylContact O-C 3.53Å; V38-S47 VanDerWaalsContact O-CA 3.3Å; V38-S47 WeakPolarHBondContact O-CA 3.41Å; V38-T48 PolarHBondContact N-O 3.38Å; V38-T48 PolarHBondContact O-N 3.35Å; V38-L50 HydrophobicContact CG2-CD1 3.99Å; V38-L79 HydrophobicContact CB-CD1 4.48Å; V38-L79 HydrophobicContact CG1-CD1 3.56Å; V38-L79 HydrophobicContact CG2-CD1 4.12Å; V38-L180 HydrophobicContact CG1-CD1 3.7Å; V38-L180 HydrophobicContact CG1-CD2 4.34Å; V38-L180 HydrophobicContact CG2-CD2 4.17Å; V38-A190 HydrophobicContact CG1-CB 4.06Å; V38-T191 CarbonylContact C-O 3.52Å; V38-T191 WeakPolarHBondContact CA-O 3.43Å; V38-A192 HydrophobicContact CG2-CB 4.32Å
39F86.5Confident74.1Confident54 Ų5464 Ų6424%0.23737%0.367CS..EExtended strand (participates in β ladder)trans-117.1128179.4-54.4-95.9000109.6E37 A190 T191 K193E37-F39 HydrophobicContact CB-CE2 3.92Å; E37-F39 HydrophobicContact CB-CZ 4.2Å; F39-A190 CarbonylContact O-C 3.58Å; F39-A190 WeakPolarHBondContact O-CA 3.36Å; F39-T191 PolarHBondContact N-O 3.29Å; F39-T191 PolarHBondContact O-N 2.69Å; F39-K193 HydrophobicContact CE2-CB 4.27Å
40L85Confident76.1Confident50 Ų5060.6 Ų60.626%0.26234%0.338SS..EExtended strand (participates in β ladder)trans-89.9132174.7-73.1165000109.7Q42 Q43 A183 A190L40-Q42 PolarHBondContact O-N 3.02Å; L40-Q42 VanDerWaalsContact O-N 3.13Å; L40-Q43 CarbonylContact O-C 3.43Å; L40-Q43 PolarHBondContact O-N 3.36Å; L40-A183 HydrophobicContact CD2-CB 3.87Å; L40-A190 HydrophobicContact CD2-CB 4.04Å
41E79.3Confident77.6Confident128 Ų12864.1 Ų64.160%0.59835%0.345SS*.THydrogen-bonded Turntrans-60.5-29.2-176.7-166.8178.2-155.400112.6R189E41-R189 HydrophobicContact CB-CB 4.31Å; E41-R189 PolarHBondContact N-O 3.11Å; E41-R189 WeakPolarHBondContact OE2-CB 3.48Å; E41-R189 VanDerWaalsContact OE2-CD 3.29Å; E41-R189 WeakPolarHBondContact OE2-CD 3.44Å
42Q73.8Confident78.3Confident147 Ų14761 Ų6169%0.68733%0.332SS*.THydrogen-bonded Turntrans-73.8-22.6176.1-70.4-175.6-15.600114L40 L188L40-Q42 PolarHBondContact O-N 3.02Å; L40-Q42 VanDerWaalsContact O-N 3.13Å; Q42-L188 HydrophobicContact CG-CD2 4.24Å
43Q69.9Low78.5Confident122 Ų12262 Ų6257%0.5734%0.337SS*.EExtended strand (participates in β ladder)trans-144.672.1-178.7-68.9-169.8-500110.7L40 A45 V46L40-Q43 CarbonylContact O-C 3.43Å; L40-Q43 PolarHBondContact O-N 3.36Å; Q43-A45 PolarHBondContact O-N 2.97Å; Q43-V46 PolarHBondContact O-N 3.22Å; Q43-V46 VanDerWaalsContact O-N 3.12Å
44P64.1Low78.3Confident96 Ų9662.1 Ų62.162%0.62334%0.337SS*.EExtended strand (participates in β ladder)trans-65.2-15.2-176.425.7-34.5000113.6V46P44-V46 VanDerWaalsContact C-N 3.34Å
45A65.1Low77.7Confident100 Ų10064 Ų6483%0.82635%0.348SS*.EExtended strand (participates in β ladder)trans-80.1-11.5177.700000114.2Q43Q43-A45 PolarHBondContact O-N 2.97Å
46V73.7Confident76.6Confident86 Ų8669 Ų6952%0.52137%0.371SS..EExtended strand (participates in β ladder)trans-116.2100.2-179.1-176.60000108.2Q43 P44Q43-V46 PolarHBondContact O-N 3.22Å; Q43-V46 VanDerWaalsContact O-N 3.12Å; P44-V46 VanDerWaalsContact C-N 3.34Å
47S77.1Confident74.9Confident60 Ų6069.6 Ų69.642%0.4238%0.375SS..EExtended strand (participates in β ladder)trans-90.5143.9171.959.70000110.9V38V38-S47 CarbonylContact O-C 3.53Å; V38-S47 VanDerWaalsContact O-CA 3.3Å; V38-S47 WeakPolarHBondContact O-CA 3.41Å
48T80.9Confident72.7Confident37 Ų3772.1 Ų72.123%0.22740%0.401CS..EExtended strand (participates in β ladder)trans-107.3120.8169.456.50000109V38V38-T48 PolarHBondContact N-O 3.38Å; V38-T48 PolarHBondContact O-N 3.35Å
49L81.2Confident70.7Confident91 Ų9179.2 Ų79.248%0.47643%0.427SS..EExtended strand (participates in β ladder)trans-85.2127.1174.4-174.170.2000109.9L35 E37L35-L49 HydrophobicContact CB-CD1 4.3Å; L35-L49 HydrophobicContact CD2-CD1 4.46Å; E37-L49 HydrophobicContact CG-CD1 3.48Å; E37-L49 VanDerWaalsContact CG-CD1 3.48Å
50L80.5Confident68.2Low5 Ų579.6 Ų79.63%0.02645%0.447CS..EExtended strand (participates in β ladder)trans-119.7136.9174.5-56.8177.1000108.7V36 V38 I171 N176 V177 L180V36-L50 HydrophobicContact CB-CB 4.29Å; V36-L50 PolarHBondContact N-O 2.98Å; V36-L50 PolarHBondContact O-N 3.19Å; V38-L50 HydrophobicContact CG2-CD1 3.99Å; L50-I171 HydrophobicContact CB-CD1 4.03Å; L50-I171 HydrophobicContact CB-CG2 4.28Å; L50-I171 HydrophobicContact CD1-CD1 4.16Å; L50-N176 HydrophobicContact CD2-CB 3.56Å; L50-V177 HydrophobicContact CD1-CG2 4.31Å; L50-V177 HydrophobicContact CD2-CG2 3.81Å; L50-L180 HydrophobicContact CD1-CD2 3.85Å
51Q78.8Confident65.5Low128 Ų12882.9 Ų82.960%0.59847%0.474SS*.EExtended strand (participates in β ladder)trans-106.6130.8176.5-175177.5-5.100109.1V33 L35V33-Q51 HydrophobicContact CG1-CG 3.74Å; L35-Q51 HydrophobicContact CD2-CB 4.32Å; L35-Q51 HydrophobicContact CD2-CG 4.2Å
52G76.3Confident63.2Low5 Ų586.4 Ų86.45%0.05249%0.487CS..EExtended strand (participates in β ladder)trans-135.4155.2179.400000112.9V33 A34 V170V33-G52 WeakPolarHBondContact CG1-O 3.34Å; A34-G52 PolarHBondContact N-O 3.38Å; A34-G52 PolarHBondContact O-N 2.87Å; G52-V170 CarbonylContact C-O 3.56Å; G52-V170 WeakPolarHBondContact CA-O 3.48Å
53E71.6Confident61.2Low75 Ų7585 Ų8535%0.3549%0.494SS..EExtended strand (participates in β ladder)trans-86.4140.2172.9-169.2-172.4149.500109.5I169 V170E53-I169 WeakPolarHBondContact O-CA 3.44Å; E53-V170 PolarHBondContact N-O 3.02Å; E53-V170 PolarHBondContact O-N 2.82Å
54V73.5Confident59.4Low17 Ų1784.2 Ų84.210%0.10350%0.502CS..EExtended strand (participates in β ladder)trans-91.7114.1176.6-176.20000109Q32 A34 E56 Y196Q32-V54 HydrophobicContact CB-CB 4.42Å; Q32-V54 HydrophobicContact CG-CG2 4.33Å; Q32-V54 WeakPolarHBondContact O-CB 3.38Å; Q32-V54 PolarHBondContact O-N 3.04Å; A34-V54 HydrophobicContact CB-CG2 3.53Å; V54-E56 PolarHBondContact O-N 3.44Å; V54-E56 VanDerWaalsContact O-N 3.17Å; V54-Y196 HydrophobicContact CG2-CD1 3.91Å; V54-Y196 HydrophobicContact CG2-CE1 3.85Å
55V70.5Confident58Low38 Ų3888.5 Ų88.523%0.2351%0.513CS..EExtended strand (participates in β ladder)trans-80.4100.6169.9-179.10000106.6S57 L159 I168 V170V55-S57 PolarHBondContact O-N 2.79Å; V55-L159 HydrophobicContact CG1-CD1 3.85Å; V55-I168 PolarHBondContact N-O 2.86Å; V55-V170 HydrophobicContact CG2-CG2 3.58Å
56E60.6Low56.4Low135 Ų13589.6 Ų89.663%0.63151%0.51SS*.  trans-53.1122.9-174.6-74-170.8160.900111.7V54V54-E56 PolarHBondContact O-N 3.44Å; V54-E56 VanDerWaalsContact O-N 3.17Å
57S49.9Very low54.5Low14 Ų1496 Ų9610%0.09853%0.525CS..  trans-83.8131.9151.370.30000106.7V55 R59V55-S57 PolarHBondContact O-N 2.79Å; S57-R59 VanDerWaalsContact C-N 3.32Å; S57-R59 PolarHBondContact O-N 3.09Å
58S41Very low52.4Low125 Ų125100 Ų10087%0.87454%0.541SS*.  trans-51.394.7177.5-61.50000110.7G60S58-G60 PolarHBondContact O-N 3.5Å
59R46Very low50.4Low150 Ų150106.7 Ų106.757%0.56657%0.57SS**  trans-73.7101.8170.5-90.3-180162.9-158.4-8.5105.9S57 S61 E73S57-R59 VanDerWaalsContact C-N 3.32Å; S57-R59 PolarHBondContact O-N 3.09Å; R59-S61 PolarHBondContact O-N 3.42Å; R59-S61 VanDerWaalsContact O-N 3.16Å; R59-E73 IonicContact CZ-OE2 2.69Å; R59-E73 IonicContact NH1-OE2 3.51Å; R59-E73 PolarHBondContact NH1-OE2 3.43Å; R59-E73 IonicContact NH2-OE2 2.78Å; R59-E73 PolarHBondContact NH2-OE2 3.01Å
60G33.5Very low48.4Very low63 Ų63111.9 Ų111.965%0.64959%0.592SS**  trans-48.3123.7171.900000109.3S58 K62S58-G60 PolarHBondContact O-N 3.5Å; G60-K62 VanDerWaalsContact C-N 3.34Å; G60-K62 PolarHBondContact O-N 2.69Å
61S28.6Very low46.7Very low119 Ų119119.7 Ų119.783%0.83263%0.628SS**  trans-54.492.6178.7-32.90000109.5R59 S63R59-S61 PolarHBondContact O-N 3.42Å; R59-S61 VanDerWaalsContact O-N 3.16Å; S61-S63 VanDerWaalsContact C-N 3.32Å; S61-S63 PolarHBondContact O-N 3.37Å; S61-S63 VanDerWaalsContact O-N 3.13Å
62K30Very low45.5Very low201 Ų201119.2 Ų119.287%0.87463%0.626SS**  trans-82.389.1167.2-83.8-173.7177.6177.40107.8G60 S64G60-K62 VanDerWaalsContact C-N 3.34Å; G60-K62 PolarHBondContact O-N 2.69Å; K62-S64 PolarHBondContact O-N 2.78Å
63S33.3Very low44.8Very low118 Ų118124.4 Ų124.483%0.82565%0.649SS**  trans-67.9104.4158.555.80000108.5S61S61-S63 VanDerWaalsContact C-N 3.32Å; S61-S63 PolarHBondContact O-N 3.37Å; S61-S63 VanDerWaalsContact O-N 3.13Å
64S30.9Very low44.8Very low105 Ų105125.2 Ų125.273%0.73465%0.653SS**  trans-151.6102.215655.60000109.4K62 T66K62-S64 PolarHBondContact O-N 2.78Å; S64-T66 PolarHBondContact O-N 2.99Å
65E36.1Very low45.3Very low186 Ų186126.9 Ų126.987%0.86966%0.661SS**  trans-50.3121162.4-61.5169.4121.300109.5
66T30.1Very low46.2Very low123 Ų123130.9 Ų130.976%0.75568%0.677SS**  166.4119118.6310000111.5S64S64-T66 PolarHBondContact O-N 2.99Å
67R34.4Very low47.5Very low221 Ų221124.7 Ų124.783%0.83465%0.649SS**  trans60.6108.2143.1-69.7-177.8175176-1.8119.5
68N32Very low49.3Very low143 Ų143125.8 Ų125.877%0.76566%0.655SS**  136.7123.6117.8-76.3-15.6000110.4
69E38.8Very low51.6Low178 Ų178120.4 Ų120.483%0.83262%0.616SS**  trans63.9127.3168.3-62.9172.6-173.600115.4E71E69-E71 PolarHBondContact O-N 2.83Å
70E40.9Very low53.6Low200 Ų200114.4 Ų114.494%0.93560%0.596SS**  trans-65.474.5171-66.9165.1164.900108.5E72E70-E72 PolarHBondContact O-N 3.33Å
71E43.7Very low56.1Low169 Ų169113.1 Ų113.179%0.7957%0.574SS**  trans-70.890.7158.2-74.6-175.6168.500105.9E69 E73E69-E71 PolarHBondContact O-N 2.83Å; E71-E73 PolarHBondContact O-N 3.47Å; E71-E73 VanDerWaalsContact O-N 3.08Å
72E53.3Low58.8Low119 Ų119108 Ų10856%0.55654%0.538SS*.  trans-43.4120.1151.8-72.5177.4166.900106.4E70 Q74E70-E72 PolarHBondContact O-N 3.33Å; E72-Q74 HydrophobicContact CB-CG 4.17Å; E72-Q74 WeakPolarHBondContact O-CG 3.14Å; E72-Q74 PolarHBondContact O-N 2.84Å; E72-Q74 PolarHBondContact OE2-NE2 3.17Å
73E62.5Low61Low114 Ų11499.7 Ų99.753%0.53351%0.508SS..  trans-66.683.4178.5-76.6-176.5162.800108.8R59 E71 L75R59-E73 IonicContact CZ-OE2 2.69Å; R59-E73 IonicContact NH1-OE2 3.51Å; R59-E73 PolarHBondContact NH1-OE2 3.43Å; R59-E73 IonicContact NH2-OE2 2.78Å; R59-E73 PolarHBondContact NH2-OE2 3.01Å; E71-E73 PolarHBondContact O-N 3.47Å; E71-E73 VanDerWaalsContact O-N 3.08Å; E73-L75 PolarHBondContact O-N 3.41Å
74Q72.2Confident62.5Low91 Ų9199.3 Ų99.343%0.42550%0.497SS..  trans-79.1118.9178.1-65.6-178.74.300107.9E72 I194 T195E72-Q74 HydrophobicContact CB-CG 4.17Å; E72-Q74 WeakPolarHBondContact O-CG 3.14Å; E72-Q74 PolarHBondContact O-N 2.84Å; E72-Q74 PolarHBondContact OE2-NE2 3.17Å; Q74-I194 WeakPolarHBondContact CA-O 3.27Å; Q74-T195 HydrophobicContact CG-CG2 4.16Å
75L83.8Confident63.8Low52 Ų52100.9 Ų100.927%0.27250%0.497SS..EExtended strand (participates in β ladder)trans-97.4123.1173.8-72.7167.3000109E73 P167 I194 Y196E73-L75 PolarHBondContact O-N 3.41Å; L75-P167 HydrophobicContact CD1-CG 3.59Å; L75-I194 HydrophobicContact CB-CB 4.25Å; L75-I194 HydrophobicContact CB-CD1 4.32Å; L75-I194 PolarHBondContact N-O 2.98Å; L75-I194 PolarHBondContact O-N 2.54Å; L75-Y196 HydrophobicContact CD1-CE2 4.23Å; L75-Y196 WeakPolarHBondContact CD1-OH 3.36Å
76E88.1Confident64.4Low122 Ų12295.9 Ų95.957%0.5749%0.488SS*.EExtended strand (participates in β ladder)trans-122.6137.6177.5-172.6174.817500110.4P103 A192E76-P103 WeakPolarHBondContact O-CG 3.44Å; E76-A192 WeakPolarHBondContact CA-O 3.45Å
77G88.2Confident65.4Low5 Ų594.2 Ų94.25%0.05248%0.478CS..EExtended strand (participates in β ladder)trans-171.9165.3176.200000115.1P103 A192G77-P103 CarbonylContact C-O 3.56Å; G77-P103 WeakPolarHBondContact CA-O 3.06Å; G77-A192 PolarHBondContact N-O 2.96Å; G77-A192 VanDerWaalsContact N-O 3.08Å; G77-A192 PolarHBondContact O-N 3.34Å
78N88.9Confident66.3Low38 Ų3890 Ų9020%0.20347%0.468CS..EExtended strand (participates in β ladder)trans-69.5130.7176.1-69.3-41000110.8E102 P103 W104 I105 T191N78-E102 PolarHBondContact ND2-OE2 3.36Å; N78-P103 PolarHBondContact N-O 2.8Å; N78-W104 HydrophobicContact CB-CB 4.41Å; N78-W104 CarbonylContact O-C 3.51Å; N78-W104 VanDerWaalsContact O-CA 3.24Å; N78-W104 WeakPolarHBondContact O-CA 3.24Å; N78-W104 WeakPolarHBondContact O-CB 3.47Å; N78-I105 PolarHBondContact O-N 3.42Å; N78-T191 WeakPolarHBondContact OD1-CG2 3.27Å
79L88.1Confident67.3Low12 Ų1285.2 Ų85.26%0.06344%0.444CS..EExtended strand (participates in β ladder)trans-77.7125.5175.4-69.2175000110.8V38 I105 V107 I145 L180 L184 A190 A192V38-L79 HydrophobicContact CB-CD1 4.48Å; V38-L79 HydrophobicContact CG1-CD1 3.56Å; V38-L79 HydrophobicContact CG2-CD1 4.12Å; L79-I105 HydrophobicContact CD2-CB 4.07Å; L79-I105 HydrophobicContact CD2-CG2 4Å; L79-V107 HydrophobicContact CB-CG2 4.21Å; L79-V107 HydrophobicContact CD2-CG2 3.61Å; L79-V107 HydrophobicContact CG-CG2 4.4Å; L79-I145 HydrophobicContact CD2-CD1 3.87Å; L79-L180 HydrophobicContact CD1-CD1 4.11Å; L79-L180 HydrophobicContact CD1-CD2 4.18Å; L79-L184 HydrophobicContact CB-CD2 4.27Å; L79-A190 HydrophobicContact CB-CB 4.3Å; L79-A190 HydrophobicContact CD1-CB 3.9Å; L79-A190 PolarHBondContact N-O 3.39Å; L79-A192 HydrophobicContact CD1-CB 3.97Å; L79-A192 HydrophobicContact CD2-CB 3.59Å; L79-A192 HydrophobicContact CG-CB 3.73Å
80V88.4Confident67.7Low24 Ų2481.2 Ų81.215%0.14544%0.436CS..EExtended strand (participates in β ladder)trans-125.3124.1177.3-176.90000109.4V82 W104 I105 V107V80-V82 PolarHBondContact O-N 3.31Å; V80-W104 HydrophobicContact CB-CE3 3.6Å; V80-W104 HydrophobicContact CB-CZ3 3.88Å; V80-W104 HydrophobicContact CG1-CE3 4.37Å; V80-W104 HydrophobicContact CG1-CZ3 4.3Å; V80-W104 HydrophobicContact CG2-CB 4.13Å; V80-W104 HydrophobicContact CG2-CD2 4.26Å; V80-W104 HydrophobicContact CG2-CE3 3.74Å; V80-W104 HydrophobicContact CG2-CG 4.47Å; V80-W104 HydrophobicContact CG2-CZ3 4.46Å; V80-I105 PolarHBondContact N-O 3.13Å; V80-V107 PolarHBondContact O-N 2.8Å
81L86.6Confident68Low36 Ų3679.8 Ų79.819%0.18843%0.429CS..EExtended strand (participates in β ladder)trans-73.1122.4175.9-16773.6000110.2G83 V107 P109 L185L81-G83 PolarHBondContact O-N 2.85Å; L81-V107 HydrophobicContact CD1-CB 4.29Å; L81-V107 HydrophobicContact CD1-CG1 4.16Å; L81-P109 HydrophobicContact CD1-CG 3.91Å; L81-L185 HydrophobicContact CD2-CD2 3.43Å; L81-L185 VanDerWaalsContact CD2-CD2 3.43Å; L81-L185 HydrophobicContact CD2-CG 4.05Å
82V84.4Confident68Low12 Ų1274.9 Ų74.97%0.07342%0.424CS..  trans-90.798.6-178.7-174.60000109.2V80 W104 V107 V108 K132 A136V80-V82 PolarHBondContact O-N 3.31Å; V82-W104 HydrophobicContact CG2-CZ3 4.33Å; V82-V107 PolarHBondContact N-O 2.98Å; V82-V108 HydrophobicContact CB-CG2 4.16Å; V82-V108 HydrophobicContact CG2-CG2 4.34Å; V82-K132 HydrophobicContact CG1-CB 4.05Å; V82-A136 HydrophobicContact CG1-CB 4.26Å; V82-A136 HydrophobicContact CG2-CB 3.87Å
83G75.4Confident67.3Low25 Ų2581.5 Ų81.526%0.25844%0.444SS..  trans-89.3176.7175.100000113.9L81 D85L81-G83 PolarHBondContact O-N 2.85Å; G83-D85 VanDerWaalsContact C-N 3.34Å
84D64.8Low66.2Low110 Ų11083.2 Ų83.259%0.58846%0.457SS*.SBendtrans-69.6-32.9173.3-68.7-59.8000112K132 R135D84-K132 WeakPolarHBondContact OD1-CE 2.78Å; D84-K132 IonicContact OD1-NZ 3.31Å; D84-K132 PolarHBondContact OD1-NZ 2.88Å; D84-K132 WeakPolarHBondContact OD2-CE 3.28Å; D84-K132 IonicContact OD2-NZ 2.88Å; D84-K132 PolarHBondContact OD2-NZ 3.32Å; D84-R135 PolarHBondContact O-NH1 2.88Å
85D58.3Low64.8Low138 Ų13882.6 Ų82.674%0.73848%0.475SS*.SBendtrans-88.9152.4174.6-69-34.8000112.1G83 T87 R135G83-D85 VanDerWaalsContact C-N 3.34Å; D85-T87 VanDerWaalsContact C-N 3.28Å; D85-T87 PolarHBondContact O-N 3.06Å; D85-T87 PolarHBondContact O-OG1 2.97Å; D85-R135 PolarHBondContact O-NH1 2.86Å
86A49.5Very low62.9Low81 Ų8183.2 Ų83.267%0.66949%0.494SS*.  trans-69.778.9-173.300000111.8Q88A86-Q88 PolarHBondContact O-N 3.18Å; A86-Q88 VanDerWaalsContact O-N 3.12Å
87T50.6Low60.6Low88 Ų8884.8 Ų84.854%0.5451%0.506SS..  trans-78.293.4165.7-31.80000107.3D85D85-T87 VanDerWaalsContact C-N 3.28Å; D85-T87 PolarHBondContact O-N 3.06Å; D85-T87 PolarHBondContact O-OG1 2.97Å
88Q53Low58.9Low134 Ų13488.4 Ų88.463%0.62654%0.543SS*.  trans-59.5145.5160.4-73.5-172.7-22.500108.1A86 S90A86-Q88 PolarHBondContact O-N 3.18Å; A86-Q88 VanDerWaalsContact O-N 3.12Å; Q88-S90 PolarHBondContact O-N 3.28Å
89P53.5Low56.9Low42 Ų4293.3 Ų93.327%0.27357%0.57SS.*  trans-53.1118.2164.523.7-30.6000105.7E91P89-E91 PolarHBondContact O-N 2.88Å
90S47.4Very low55.4Low94 Ų94103.9 Ų103.966%0.65761%0.609SS**  trans-56.7102.1-174.746.60000108.5Q88 G92Q88-S90 PolarHBondContact O-N 3.28Å; S90-G92 PolarHBondContact O-N 3.31Å
91E47.6Very low54.3Low169 Ų169109.4 Ų109.479%0.7963%0.633SS**  trans-56.4109166.8-77.4-175.8146.200105.8P89 R93P89-E91 PolarHBondContact O-N 2.88Å; E91-R93 PolarHBondContact O-N 3.14Å; E91-R93 VanDerWaalsContact O-N 3.15Å
92G43Very low53.9Low66 Ų66113.7 Ų113.768%0.6865%0.652SS**  trans-52.2123.4163.300000106.6S90 D94S90-G92 PolarHBondContact O-N 3.31Å; G92-D94 PolarHBondContact O-N 3.37Å
93R39.8Very low53.9Low258 Ų258116.3 Ų116.397%0.97467%0.669SS**SBendtrans-64.682.1176.1-169.6-178.2-167.21783.4108.4E91E91-R93 PolarHBondContact O-N 3.14Å; E91-R93 VanDerWaalsContact O-N 3.15Å
94D39.4Very low54.6Low150 Ų150115.8 Ų115.880%0.80266%0.66SS**  trans-137.5125.3158.8-145.60.8000110.1G92G92-D94 PolarHBondContact O-N 3.37Å
95G42.9Very low55.8Low79 Ų79110.7 Ų110.781%0.81463%0.632SS**  trans-80.8124.6-173.800000110.2
96G42.5Very low57.3Low65 Ų65104.1 Ų104.167%0.6760%0.597SS**  trans129.2126.6152.500000114.8
97N40Very low59.1Low154 Ų154100.3 Ų100.382%0.82457%0.565SS**SBendtrans92.384.7154.8-151.839.7000116.7D99N97-D99 PolarHBondContact O-N 3.04Å; N97-D99 VanDerWaalsContact O-N 3.08Å
98G52.5Low60.9Low81 Ų8196.1 Ų96.184%0.83554%0.54SS*.  trans43.454.4150.400000115.7R100G98-R100 PolarHBondContact O-N 2.69Å
99D47.8Very low62.2Low141 Ų14190.6 Ų90.675%0.75452%0.516SS*.  trans-66.8121.4-171.9-94.3-30.1000111.7N97 Q101N97-D99 PolarHBondContact O-N 3.04Å; N97-D99 VanDerWaalsContact O-N 3.08Å; D99-Q101 PolarHBondContact O-N 3.05Å; D99-Q101 VanDerWaalsContact O-N 3.08Å
100R56.3Low63.3Low235 Ų23589.1 Ų89.189%0.88751%0.506SS*.  trans-63.7106.2156.7-77.6177.2159-170.5-6.4106.1G98 E102G98-R100 PolarHBondContact O-N 2.69Å; R100-E102 PolarHBondContact O-N 2.87Å; R100-E102 VanDerWaalsContact O-N 3.1Å
101Q66.1Low64.3Low139 Ų13990.5 Ų90.565%0.6550%0.502SS*.PPolyproline II helixtrans-52.3119.1176-154.6166.61700108.9D99D99-Q101 PolarHBondContact O-N 3.05Å; D99-Q101 VanDerWaalsContact O-N 3.08Å
102E77.3Confident64.6Low126 Ų12687.4 Ų87.459%0.58949%0.489SS*.PPolyproline II helixtrans-58138.3179.5-69.1-177.116700109.6N78 R100 W104N78-E102 PolarHBondContact ND2-OE2 3.36Å; R100-E102 PolarHBondContact O-N 2.87Å; R100-E102 VanDerWaalsContact O-N 3.1Å; E102-W104 PolarHBondContact O-N 2.82Å
103P84.9Confident64.9Low68 Ų6888.2 Ų88.244%0.44248%0.478SS..PPolyproline II helixtrans-59.6131.6177.925.7-33.2000109.5E76 G77 N78 S142E76-P103 WeakPolarHBondContact O-CG 3.44Å; G77-P103 CarbonylContact C-O 3.56Å; G77-P103 WeakPolarHBondContact CA-O 3.06Å; N78-P103 PolarHBondContact N-O 2.8Å; P103-S142 WeakPolarHBondContact CB-OG 3.25Å
104W89.8Confident65.2Low14 Ų1482.8 Ų82.85%0.05347%0.468CS..EExtended strand (participates in β ladder)trans-129149.1179.972.6-86000110.7N78 V80 V82 E102 A136 L139 A141 S142N78-W104 HydrophobicContact CB-CB 4.41Å; N78-W104 CarbonylContact O-C 3.51Å; N78-W104 VanDerWaalsContact O-CA 3.24Å; N78-W104 WeakPolarHBondContact O-CA 3.24Å; N78-W104 WeakPolarHBondContact O-CB 3.47Å; V80-W104 HydrophobicContact CB-CE3 3.6Å; V80-W104 HydrophobicContact CB-CZ3 3.88Å; V80-W104 HydrophobicContact CG1-CE3 4.37Å; V80-W104 HydrophobicContact CG1-CZ3 4.3Å; V80-W104 HydrophobicContact CG2-CB 4.13Å; V80-W104 HydrophobicContact CG2-CD2 4.26Å; V80-W104 HydrophobicContact CG2-CE3 3.74Å; V80-W104 HydrophobicContact CG2-CG 4.47Å; V80-W104 HydrophobicContact CG2-CZ3 4.46Å; V82-W104 HydrophobicContact CG2-CZ3 4.33Å; E102-W104 PolarHBondContact O-N 2.82Å; W104-A136 HydrophobicContact CH2-CB 3.97Å; W104-L139 HydrophobicContact CH2-CB 4.32Å; W104-L139 HydrophobicContact CZ2-CB 3.67Å; W104-L139 PolarHBondContact NE1-O 2.94Å; W104-A141 HydrophobicContact CD2-CB 4.12Å; W104-A141 HydrophobicContact CE3-CB 4.11Å; W104-A141 HydrophobicContact CH2-CB 3.67Å; W104-A141 HydrophobicContact CZ2-CB 3.6Å; W104-A141 HydrophobicContact CZ3-CB 3.92Å; W104-A141 CarbonylContact O-C 3.12Å; W104-S142 PolarHBondContact O-N 3.16Å
105I90.4Very high65.5Low2 Ų280.7 Ų80.71%0.0147%0.465CS..EExtended strand (participates in β ladder)trans-116.1123.1-176.3-62167000107.5N78 L79 V80 A143 I145 A192 I194N78-I105 PolarHBondContact O-N 3.42Å; L79-I105 HydrophobicContact CD2-CB 4.07Å; L79-I105 HydrophobicContact CD2-CG2 4Å; V80-I105 PolarHBondContact N-O 3.13Å; I105-A143 WeakPolarHBondContact CA-O 3.3Å; I105-A143 HydrophobicContact CG1-CB 4.23Å; I105-A143 HydrophobicContact CG2-CB 4.18Å; I105-I145 HydrophobicContact CG2-CD1 3.69Å; I105-I145 HydrophobicContact CG2-CG1 3.8Å; I105-A192 HydrophobicContact CD1-CB 4.08Å; I105-I194 HydrophobicContact CD1-CD1 3.78Å; I105-I194 HydrophobicContact CD1-CG1 4.46Å
106G88.4Confident65.6Low0 Ų084.2 Ų84.20%046%0.458CS..EExtended strand (participates in β ladder)trans-82.9124.6-177.500000111.6A143 L144 I145G106-A143 PolarHBondContact N-O 3.13Å; G106-L144 CarbonylContact O-C 3.49Å; G106-L144 WeakPolarHBondContact O-CA 3.41Å; G106-I145 PolarHBondContact O-N 3.16Å
107V88.8Confident65.5Low1 Ų185.5 Ų85.51%0.00646%0.462CS..EExtended strand (participates in β ladder)trans-101.8119.1175.6-175.90000109.2L79 V80 L81 V82 I145 L147 L184L79-V107 HydrophobicContact CB-CG2 4.21Å; L79-V107 HydrophobicContact CD2-CG2 3.61Å; L79-V107 HydrophobicContact CG-CG2 4.4Å; V80-V107 PolarHBondContact O-N 2.8Å; L81-V107 HydrophobicContact CD1-CB 4.29Å; L81-V107 HydrophobicContact CD1-CG1 4.16Å; V82-V107 PolarHBondContact N-O 2.98Å; V107-I145 CarbonylContact C-O 3.57Å; V107-I145 WeakPolarHBondContact CA-O 3.49Å; V107-I145 HydrophobicContact CG2-CB 4.49Å; V107-L147 HydrophobicContact CG1-CD1 3.42Å; V107-L147 VanDerWaalsContact CG1-CD1 3.42Å; V107-L147 HydrophobicContact CG1-CG 3.88Å; V107-L184 HydrophobicContact CB-CD1 4.48Å; V107-L184 HydrophobicContact CG2-CD1 4.27Å
108V86.6Confident65.7Low0 Ų083.1 Ų83.10%046%0.457CS..EExtended strand (participates in β ladder)trans-109.9105.2179.2-173.70000108.8V82 V129 K132 M133 I145 L147V82-V108 HydrophobicContact CB-CG2 4.16Å; V82-V108 HydrophobicContact CG2-CG2 4.34Å; V108-V129 HydrophobicContact CG1-CG1 4.21Å; V108-K132 HydrophobicContact CG1-CB 4.14Å; V108-K132 HydrophobicContact CG1-CD 4.24Å; V108-M133 HydrophobicContact CG2-CG 4.34Å; V108-I145 PolarHBondContact N-O 2.97Å; V108-L147 PolarHBondContact O-N 2.94Å
109P81.6Confident65.2Low19 Ų1984.3 Ų84.312%0.12345%0.449CS..EExtended strand (participates in β ladder)trans-74.9133173.231.7-33.6000110.2L81L81-P109 HydrophobicContact CD1-CG 3.91Å
110V76.8Confident65Low11 Ų1181.8 Ų81.87%0.06746%0.456CS..  trans-98.488.8173.6-176.40000107.5F125 I146 L147 A148V110-F125 HydrophobicContact CG1-CE1 3.68Å; V110-F125 HydrophobicContact CG1-CZ 3.43Å; V110-F125 VanDerWaalsContact CG1-CZ 3.43Å; V110-I146 HydrophobicContact CG2-CG2 3.57Å; V110-L147 WeakPolarHBondContact CB-O 2.97Å; V110-L147 WeakPolarHBondContact CG2-O 3.49Å; V110-L147 PolarHBondContact N-O 3.34Å; V110-A148 HydrophobicContact CG2-CB 4.37Å
111E67.4Low64.6Low123 Ų12375.9 Ų75.958%0.57544%0.442SS*.  trans-84125177-65.3-177.8170.600110.1D113 F125E111-D113 PolarHBondContact O-N 2.78Å; E111-F125 VanDerWaalsContact O-CE2 3.26Å; E111-F125 WeakPolarHBondContact O-CE2 3.24Å
112M54.3Low63.9Low103 Ų10377.5 Ų77.551%0.50745%0.45SS..  trans-82.5101.1166.6-69.7-169-178.300108.2D114 L149M112-D114 PolarHBondContact O-N 3.29Å; M112-D114 VanDerWaalsContact O-N 3.07Å; M112-L149 HydrophobicContact CB-CD1 4.47Å; M112-L149 HydrophobicContact CG-CD1 4.11Å
113D49.7Very low62.6Low84 Ų8479.6 Ų79.645%0.44946%0.459SS..  trans-76.888.4174-128.7-2000108.3E111 S115 K116E111-D113 PolarHBondContact O-N 2.78Å; D113-S115 PolarHBondContact O-N 3.11Å; D113-K116 PolarHBondContact O-N 2.94Å; D113-K116 VanDerWaalsContact O-N 3.13Å; D113-K116 IonicContact OD2-NZ 3.11Å; D113-K116 PolarHBondContact OD2-NZ 3.24Å
114D45.3Very low61.6Low143 Ų14378.9 Ų78.977%0.76546%0.456SS*.G310 helixtrans-56.9-17.6176.9-72.8-28.2000112.5M112 K116M112-D114 PolarHBondContact O-N 3.29Å; M112-D114 VanDerWaalsContact O-N 3.07Å; D114-K116 VanDerWaalsContact C-N 3.34Å; D114-K116 PolarHBondContact O-N 3.49Å
115S46.4Very low60.6Low106 Ų10682 Ų8274%0.74147%0.47SS*.G310 helixtrans-77.3-12.3-178.9-44.70000114.5D113D113-S115 PolarHBondContact O-N 3.11Å
116K44.1Very low59.6Low153 Ų15383.9 Ų83.967%0.66549%0.486SS*.G310 helixtrans-118.414.9-176.4-71.1-179.6-175.1152.40114.1D113 D114 S118D113-K116 PolarHBondContact O-N 2.94Å; D113-K116 VanDerWaalsContact O-N 3.13Å; D113-K116 IonicContact OD2-NZ 3.11Å; D113-K116 PolarHBondContact OD2-NZ 3.24Å; D114-K116 VanDerWaalsContact C-N 3.34Å; D114-K116 PolarHBondContact O-N 3.49Å; K116-S118 PolarHBondContact O-N 2.69Å; K116-S118 VanDerWaalsContact O-N 3.16Å
117A41.3Very low58.8Low92 Ų9288.4 Ų88.476%0.7651%0.511SS*.THydrogen-bonded Turntrans-79.416.7-179.900000114.8
118S44.6Very low58.2Low104 Ų10490.2 Ų90.273%0.72753%0.525SS*.THydrogen-bonded Turntrans-100.21.8-17659.40000116K116K116-S118 PolarHBondContact O-N 2.69Å; K116-S118 VanDerWaalsContact O-N 3.16Å
119T41.9Very low57.8Low107 Ų10790.6 Ų90.666%0.65653%0.528SS*.SBendtrans-152.8104.217524.80000112.1N121T119-N121 VanDerWaalsContact C-N 3.27Å; T119-N121 VanDerWaalsContact O-CB 3.25Å; T119-N121 WeakPolarHBondContact O-CB 3.44Å; T119-N121 PolarHBondContact O-N 2.67Å
120G43Very low57.6Low88 Ų8890.6 Ų90.691%0.90753%0.527SS*.SBendtrans54.13.8144.600000122.2
121N48.4Very low57.7Low110 Ų11094.5 Ų94.559%0.58855%0.548SS*.  trans-111.434-156.1-9927.8000115.7T119 E123 S124T119-N121 VanDerWaalsContact C-N 3.27Å; T119-N121 VanDerWaalsContact O-CB 3.25Å; T119-N121 WeakPolarHBondContact O-CB 3.44Å; T119-N121 PolarHBondContact O-N 2.67Å; N121-E123 VanDerWaalsContact C-N 3.27Å; N121-E123 PolarHBondContact O-N 2.83Å; N121-S124 VanDerWaalsContact CB-OG 3.3Å; N121-S124 WeakPolarHBondContact CB-OG 3.41Å; N121-S124 PolarHBondContact ND2-OG 2.77Å; N121-S124 WeakPolarHBondContact O-CB 3.08Å; N121-S124 PolarHBondContact O-N 3.06Å; N121-S124 PolarHBondContact O-OG 2.78Å
122Q50.9Low58.4Low174 Ų17490.5 Ų90.581%0.81353%0.529SS*.Hα-helixtrans-65.8-31179.2-157.9150.7-3.900112.5S124 F125Q122-S124 VanDerWaalsContact C-N 3.29Å; Q122-S124 PolarHBondContact O-N 3.48Å; Q122-F125 PolarHBondContact O-N 3.08Å
123E51.1Low59.6Low169 Ų16985.7 Ų85.779%0.7951%0.505SS*.Hα-helixtrans-64.6-29.7169.8-71-177.716000112.6N121 F125 D127N121-E123 VanDerWaalsContact C-N 3.27Å; N121-E123 PolarHBondContact O-N 2.83Å; E123-F125 PolarHBondContact O-N 2.81Å; E123-D127 PolarHBondContact O-N 2.92Å
124S63.6Low61Low54 Ų5485.7 Ų85.738%0.37850%0.501SS..Hα-helixtrans-73.8-25.9-17980.10000114.2N121 Q122 A128N121-S124 VanDerWaalsContact CB-OG 3.3Å; N121-S124 WeakPolarHBondContact CB-OG 3.41Å; N121-S124 PolarHBondContact ND2-OG 2.77Å; N121-S124 WeakPolarHBondContact O-CB 3.08Å; N121-S124 PolarHBondContact O-N 3.06Å; N121-S124 PolarHBondContact O-OG 2.78Å; Q122-S124 VanDerWaalsContact C-N 3.29Å; Q122-S124 PolarHBondContact O-N 3.48Å; S124-A128 WeakPolarHBondContact O-CB 3.48Å; S124-A128 PolarHBondContact O-N 3.37Å
125F68.1Low62.6Low78 Ų7883.7 Ų83.734%0.34248%0.482SS..Hα-helixtrans-74.6-47.4-177.6-179.5-100000111.4V110 E111 Q122 E123 D127 A128 V129V110-F125 HydrophobicContact CG1-CE1 3.68Å; V110-F125 HydrophobicContact CG1-CZ 3.43Å; V110-F125 VanDerWaalsContact CG1-CZ 3.43Å; E111-F125 VanDerWaalsContact O-CE2 3.26Å; E111-F125 WeakPolarHBondContact O-CE2 3.24Å; Q122-F125 PolarHBondContact O-N 3.08Å; E123-F125 PolarHBondContact O-N 2.81Å; F125-D127 VanDerWaalsContact C-N 3.28Å; F125-D127 PolarHBondContact O-N 3Å; F125-A128 WeakPolarHBondContact O-CB 3.18Å; F125-A128 PolarHBondContact O-N 3.46Å; F125-A128 VanDerWaalsContact O-N 3.17Å; F125-V129 HydrophobicContact CE1-CG2 4.15Å; F125-V129 HydrophobicContact CZ-CG2 4.23Å; F125-V129 WeakPolarHBondContact O-CG2 3.29Å; F125-V129 PolarHBondContact O-N 3.41Å; F125-V129 VanDerWaalsContact O-N 3.09Å
126A69.2Low64.4Low42 Ų4278.7 Ų78.735%0.34745%0.448SS..Hα-helixtrans-58.4-43.917400000110.6A128 V129 V130A126-A128 VanDerWaalsContact C-N 3.35Å; A126-A128 PolarHBondContact O-N 3.44Å; A126-V129 PolarHBondContact O-N 2.7Å; A126-V130 WeakPolarHBondContact O-CB 3.29Å; A126-V130 VanDerWaalsContact O-CG2 3.24Å; A126-V130 WeakPolarHBondContact O-CG2 3.45Å; A126-V130 PolarHBondContact O-N 3.43Å
127D72.1Confident66.2Low96 Ų9673.1 Ų73.151%0.51343%0.425SS..Hα-helixtrans-61.1-39.2175.5-80.5-21.7000113E123 F125 V130 N131E123-D127 PolarHBondContact O-N 2.92Å; F125-D127 VanDerWaalsContact C-N 3.28Å; F125-D127 PolarHBondContact O-N 3Å; D127-V130 PolarHBondContact O-N 3.35Å; D127-N131 VanDerWaalsContact O-CB 3.24Å; D127-N131 WeakPolarHBondContact O-CB 3.43Å; D127-N131 PolarHBondContact O-N 3.46Å; D127-N131 PolarHBondContact O-ND2 2.84Å
128A76.6Confident68.1Low38 Ų3875 Ų7531%0.31443%0.426SS..Hα-helixtrans-63.4-44.8176.700000111.8S124 F125 A126 N131 K132S124-A128 WeakPolarHBondContact O-CB 3.48Å; S124-A128 PolarHBondContact O-N 3.37Å; F125-A128 WeakPolarHBondContact O-CB 3.18Å; F125-A128 PolarHBondContact O-N 3.46Å; F125-A128 VanDerWaalsContact O-N 3.17Å; A126-A128 VanDerWaalsContact C-N 3.35Å; A126-A128 PolarHBondContact O-N 3.44Å; A128-N131 PolarHBondContact O-N 3.19Å; A128-K132 WeakPolarHBondContact O-CG 3.34Å; A128-K132 PolarHBondContact O-N 2.83Å
129V77Confident69.9Low9 Ų973.5 Ų73.56%0.05541%0.41CS..Hα-helixtrans-65-46.2176.91790000110.6V108 F125 A126 N131 K132 M133 M157V108-V129 HydrophobicContact CG1-CG1 4.21Å; F125-V129 HydrophobicContact CE1-CG2 4.15Å; F125-V129 HydrophobicContact CZ-CG2 4.23Å; F125-V129 WeakPolarHBondContact O-CG2 3.29Å; F125-V129 PolarHBondContact O-N 3.41Å; F125-V129 VanDerWaalsContact O-N 3.09Å; A126-V129 PolarHBondContact O-N 2.7Å; V129-N131 VanDerWaalsContact C-N 3.3Å; V129-N131 PolarHBondContact O-N 3.17Å; V129-K132 WeakPolarHBondContact O-CB 3.24Å; V129-K132 PolarHBondContact O-N 3.41Å; V129-M133 HydrophobicContact CG1-SD 4.08Å; V129-M133 VanDerWaalsContact O-CG 3.29Å; V129-M133 WeakPolarHBondContact O-CG 3.41Å; V129-M133 PolarHBondContact O-N 3.09Å; V129-M157 HydrophobicContact CB-CE 4.36Å; V129-M157 HydrophobicContact CG1-CE 3.69Å
130V77.9Confident71.7Confident19 Ų1970.1 Ų70.112%0.11540%0.397CS..Hα-helixtrans-61-38.7177.3170.10000111.4A126 D127 M133 K134 M157 V162A126-V130 WeakPolarHBondContact O-CB 3.29Å; A126-V130 VanDerWaalsContact O-CG2 3.24Å; A126-V130 WeakPolarHBondContact O-CG2 3.45Å; A126-V130 PolarHBondContact O-N 3.43Å; D127-V130 PolarHBondContact O-N 3.35Å; V130-M133 PolarHBondContact O-N 2.8Å; V130-K134 HydrophobicContact CG1-CD 4.07Å; V130-K134 HydrophobicContact CG1-CG 4.37Å; V130-K134 WeakPolarHBondContact O-CB 3.4Å; V130-K134 WeakPolarHBondContact O-CG 3.32Å; V130-K134 PolarHBondContact O-N 2.98Å; V130-M157 HydrophobicContact CG2-CB 4.37Å; V130-V162 HydrophobicContact CG1-CG2 4.46Å
131N78.4Confident73.7Confident93 Ų9366 Ų6650%0.49735%0.354SS..Hα-helixtrans-66.9-39.1176.7-74.1-29.5000112.3D127 A128 V129 M133 K134 R135D127-N131 VanDerWaalsContact O-CB 3.24Å; D127-N131 WeakPolarHBondContact O-CB 3.43Å; D127-N131 PolarHBondContact O-N 3.46Å; D127-N131 PolarHBondContact O-ND2 2.84Å; A128-N131 PolarHBondContact O-N 3.19Å; V129-N131 VanDerWaalsContact C-N 3.3Å; V129-N131 PolarHBondContact O-N 3.17Å; N131-M133 VanDerWaalsContact C-N 3.34Å; N131-K134 PolarHBondContact O-N 2.86Å; N131-R135 WeakPolarHBondContact O-CB 3.43Å; N131-R135 PolarHBondContact O-N 3.02Å
132K82.4Confident75.4Confident39 Ų3962.5 Ų62.517%0.1734%0.338CS..Hα-helixtrans-60.3-44.5171.4-71.9175.8-178.3-177.20111.2V82 D84 V108 A128 V129 R135 A136V82-K132 HydrophobicContact CG1-CB 4.05Å; D84-K132 WeakPolarHBondContact OD1-CE 2.78Å; D84-K132 IonicContact OD1-NZ 3.31Å; D84-K132 PolarHBondContact OD1-NZ 2.88Å; D84-K132 WeakPolarHBondContact OD2-CE 3.28Å; D84-K132 IonicContact OD2-NZ 2.88Å; D84-K132 PolarHBondContact OD2-NZ 3.32Å; V108-K132 HydrophobicContact CG1-CB 4.14Å; V108-K132 HydrophobicContact CG1-CD 4.24Å; A128-K132 WeakPolarHBondContact O-CG 3.34Å; A128-K132 PolarHBondContact O-N 2.83Å; V129-K132 WeakPolarHBondContact O-CB 3.24Å; V129-K132 PolarHBondContact O-N 3.41Å; K132-R135 PolarHBondContact O-N 3.16Å; K132-A136 PolarHBondContact O-N 2.84Å
133M80Confident77.1Confident1 Ų154.2 Ų54.21%0.00530%0.3CS..Hα-helixtrans-62.8-49.2177.3-65.4170.475.100112.1V108 V129 V130 N131 R135 A136 L137 L144 I146 M157 L159 I168V108-M133 HydrophobicContact CG2-CG 4.34Å; V129-M133 HydrophobicContact CG1-SD 4.08Å; V129-M133 VanDerWaalsContact O-CG 3.29Å; V129-M133 WeakPolarHBondContact O-CG 3.41Å; V129-M133 PolarHBondContact O-N 3.09Å; V130-M133 PolarHBondContact O-N 2.8Å; N131-M133 VanDerWaalsContact C-N 3.34Å; M133-R135 VanDerWaalsContact C-N 3.29Å; M133-R135 PolarHBondContact O-N 3.04Å; M133-A136 PolarHBondContact O-N 2.85Å; M133-L137 WeakPolarHBondContact O-CG 3.09Å; M133-L137 PolarHBondContact O-N 3.27Å; M133-L144 HydrophobicContact CB-CD1 4.01Å; M133-L144 HydrophobicContact CE-CD1 4.23Å; M133-L144 HydrophobicContact CG-CD1 4.24Å; M133-I146 HydrophobicContact CE-CD1 3.61Å; M133-I146 HydrophobicContact CE-CG1 4.45Å; M133-I146 HydrophobicContact SD-CD1 3.89Å; M133-M157 HydrophobicContact CE-SD 4.35Å; M133-M157 HydrophobicContact SD-CE 4.23Å; M133-M157 HydrophobicContact SD-SD 4.07Å; M133-L159 HydrophobicContact CE-CD2 3.65Å; M133-L159 HydrophobicContact SD-CD2 4.29Å; M133-I168 HydrophobicContact CE-CD1 3.7Å; M133-I168 HydrophobicContact CE-CG1 4.41Å; M133-I168 HydrophobicContact CE-CG2 4.12Å
134K79.1Confident78.8Confident84 Ų8446.2 Ų46.237%0.36526%0.262SS..Hα-helixtrans-55.4-45.3176.2-76.9173.9179.3171.20111.2V130 N131 L137 V138 V162V130-K134 HydrophobicContact CG1-CD 4.07Å; V130-K134 HydrophobicContact CG1-CG 4.37Å; V130-K134 WeakPolarHBondContact O-CB 3.4Å; V130-K134 WeakPolarHBondContact O-CG 3.32Å; V130-K134 PolarHBondContact O-N 2.98Å; N131-K134 PolarHBondContact O-N 2.86Å; K134-L137 PolarHBondContact O-N 3.42Å; K134-V138 VanDerWaalsContact O-CG2 3.29Å; K134-V138 WeakPolarHBondContact O-CG2 3.5Å; K134-V138 PolarHBondContact O-N 2.91Å; K134-V162 HydrophobicContact CD-CG2 4.32Å; K134-V162 VanDerWaalsContact CE-CG2 3.42Å; K134-V162 HydrophobicContact CG-CG1 4.04Å; K134-V162 HydrophobicContact CG-CG2 3.93Å
135R79Confident79.9Confident101 Ų10143.9 Ų43.938%0.38125%0.245SC..Hα-helixtrans-60.3-48.8177.5177.8-176.9-101.7-170.40.5111.6D84 D85 N131 K132 M133 L137 V138 L139D84-R135 PolarHBondContact O-NH1 2.88Å; D85-R135 PolarHBondContact O-NH1 2.86Å; N131-R135 WeakPolarHBondContact O-CB 3.43Å; N131-R135 PolarHBondContact O-N 3.02Å; K132-R135 PolarHBondContact O-N 3.16Å; M133-R135 VanDerWaalsContact C-N 3.29Å; M133-R135 PolarHBondContact O-N 3.04Å; R135-L137 VanDerWaalsContact C-N 3.28Å; R135-L137 PolarHBondContact O-N 3.42Å; R135-V138 PolarHBondContact O-N 2.88Å; R135-L139 HydrophobicContact CG-CD1 3.94Å; R135-L139 HydrophobicContact CG-CG 4.43Å; R135-L139 WeakPolarHBondContact O-CG 3.47Å; R135-L139 PolarHBondContact O-N 3.24Å
136A83.6Confident80.7Confident1 Ų140.2 Ų40.21%0.00823%0.229CC..Hα-helixtrans-61-38.4-179.300000112.4V82 W104 K132 M133 L139 G140 A141 L144V82-A136 HydrophobicContact CG1-CB 4.26Å; V82-A136 HydrophobicContact CG2-CB 3.87Å; W104-A136 HydrophobicContact CH2-CB 3.97Å; K132-A136 PolarHBondContact O-N 2.84Å; M133-A136 PolarHBondContact O-N 2.85Å; A136-L139 PolarHBondContact O-N 3.08Å; A136-G140 PolarHBondContact O-N 3.13Å; A136-A141 HydrophobicContact CB-CB 4.36Å; A136-A141 VanDerWaalsContact O-CB 3.27Å; A136-A141 WeakPolarHBondContact O-CB 3.33Å; A136-A141 PolarHBondContact O-N 2.89Å; A136-A141 VanDerWaalsContact O-N 3.09Å; A136-L144 HydrophobicContact CB-CD2 3.55Å
137L81.6Confident81.3Confident37 Ų3738.4 Ų38.419%0.19421%0.214CC..Hα-helixtrans-66.9-41.5175.7-66.9169000112.6M133 K134 R135 L139 G140 L144 V162 K166M133-L137 WeakPolarHBondContact O-CG 3.09Å; M133-L137 PolarHBondContact O-N 3.27Å; K134-L137 PolarHBondContact O-N 3.42Å; R135-L137 VanDerWaalsContact C-N 3.28Å; R135-L137 PolarHBondContact O-N 3.42Å; L137-L139 VanDerWaalsContact C-N 3.27Å; L137-L139 PolarHBondContact O-N 2.69Å; L137-G140 PolarHBondContact O-N 3.01Å; L137-L144 HydrophobicContact CD1-CD1 4.18Å; L137-L144 HydrophobicContact CD2-CD1 4Å; L137-L144 HydrophobicContact CD2-CG 4.29Å; L137-L144 HydrophobicContact CG-CD1 3.92Å; L137-V162 HydrophobicContact CD1-CG1 3.43Å; L137-V162 VanDerWaalsContact CD1-CG1 3.43Å; L137-K166 HydrophobicContact CD2-CB 4.03Å; L137-K166 HydrophobicContact CD2-CD 3.54Å; L137-K166 HydrophobicContact CD2-CG 4.42Å
138V81.1Confident81.4Confident130 Ų13033.9 Ų33.979%0.78819%0.19SC*.Hα-helixtrans-62.9-35174.91700000111.4K134 R135 G140K134-V138 VanDerWaalsContact O-CG2 3.29Å; K134-V138 WeakPolarHBondContact O-CG2 3.5Å; K134-V138 PolarHBondContact O-N 2.91Å; R135-V138 PolarHBondContact O-N 2.88Å; V138-G140 PolarHBondContact O-N 3.18Å
139L82.1Confident80.5Confident73 Ų7336.7 Ų36.738%0.38220%0.199SC..THydrogen-bonded Turntrans-77.94174.9-67.3175.1000113.6W104 R135 A136 L137W104-L139 HydrophobicContact CH2-CB 4.32Å; W104-L139 HydrophobicContact CZ2-CB 3.67Å; W104-L139 PolarHBondContact NE1-O 2.94Å; R135-L139 HydrophobicContact CG-CD1 3.94Å; R135-L139 HydrophobicContact CG-CG 4.43Å; R135-L139 WeakPolarHBondContact O-CG 3.47Å; R135-L139 PolarHBondContact O-N 3.24Å; A136-L139 PolarHBondContact O-N 3.08Å; L137-L139 VanDerWaalsContact C-N 3.27Å; L137-L139 PolarHBondContact O-N 2.69Å
140G81.1Confident79.7Confident37 Ų3739.7 Ų39.738%0.38122%0.215SC..THydrogen-bonded Turntrans88.811.7171.300000116A136 L137 V138 S142 K166A136-G140 PolarHBondContact O-N 3.13Å; L137-G140 PolarHBondContact O-N 3.01Å; V138-G140 PolarHBondContact O-N 3.18Å; G140-S142 PolarHBondContact O-N 3.47Å; G140-K166 PolarHBondContact O-NZ 3.46Å
141A84.3Confident78.6Confident0 Ų043.3 Ų43.30%023%0.23CC..  trans-49.5132.4179.200000112.3W104 A136 L144 K166W104-A141 HydrophobicContact CD2-CB 4.12Å; W104-A141 HydrophobicContact CE3-CB 4.11Å; W104-A141 HydrophobicContact CH2-CB 3.67Å; W104-A141 HydrophobicContact CZ2-CB 3.6Å; W104-A141 HydrophobicContact CZ3-CB 3.92Å; W104-A141 CarbonylContact O-C 3.12Å; A136-A141 HydrophobicContact CB-CB 4.36Å; A136-A141 VanDerWaalsContact O-CB 3.27Å; A136-A141 WeakPolarHBondContact O-CB 3.33Å; A136-A141 PolarHBondContact O-N 2.89Å; A136-A141 VanDerWaalsContact O-N 3.09Å; A141-L144 HydrophobicContact CB-CD2 4.21Å; A141-K166 WeakPolarHBondContact O-CD 3.34Å; A141-K166 WeakPolarHBondContact O-CE 3.39Å; A141-K166 PolarHBondContact O-NZ 2.91Å
142S84.5Confident77.4Confident38 Ų3843.1 Ų43.127%0.26623%0.229SC..SBendtrans-73-32.3-179.3-61.30000112.6P103 W104 G140P103-S142 WeakPolarHBondContact CB-OG 3.25Å; W104-S142 PolarHBondContact O-N 3.16Å; G140-S142 PolarHBondContact O-N 3.47Å
143A86.6Confident76.1Confident0 Ų043.2 Ų43.20%023%0.233CC..EExtended strand (participates in β ladder)trans-150.8163.9175.900000110.2I105 G106 P167 I194I105-A143 WeakPolarHBondContact CA-O 3.3Å; I105-A143 HydrophobicContact CG1-CB 4.23Å; I105-A143 HydrophobicContact CG2-CB 4.18Å; G106-A143 PolarHBondContact N-O 3.13Å; A143-P167 HydrophobicContact CB-CG 3.84Å; A143-I194 HydrophobicContact CB-CD1 4.03Å
144L86.9Confident74.9Confident0 Ų043.6 Ų43.60%024%0.236CC..EExtended strand (participates in β ladder)trans-120.6136.8173.7-64.6177.9000111G106 M133 A136 L137 A141 P167 I168 I169G106-L144 CarbonylContact O-C 3.49Å; G106-L144 WeakPolarHBondContact O-CA 3.41Å; M133-L144 HydrophobicContact CB-CD1 4.01Å; M133-L144 HydrophobicContact CE-CD1 4.23Å; M133-L144 HydrophobicContact CG-CD1 4.24Å; A136-L144 HydrophobicContact CB-CD2 3.55Å; L137-L144 HydrophobicContact CD1-CD1 4.18Å; L137-L144 HydrophobicContact CD2-CD1 4Å; L137-L144 HydrophobicContact CD2-CG 4.29Å; L137-L144 HydrophobicContact CG-CD1 3.92Å; A141-L144 HydrophobicContact CB-CD2 4.21Å; L144-P167 PolarHBondContact N-O 2.88Å; L144-I168 HydrophobicContact CB-CG1 4.43Å; L144-I168 HydrophobicContact CD1-CG1 4.48Å; L144-I168 WeakPolarHBondContact O-CA 3.39Å; L144-I169 PolarHBondContact O-N 2.78Å
145I87.6Confident73.7Confident6 Ų644.5 Ų44.53%0.03125%0.254CS..EExtended strand (participates in β ladder)trans-115.5118.3172.6-63.9173.9000108V36 L79 I105 G106 V107 V108 L147 I169 I171V36-I145 HydrophobicContact CG1-CD1 4Å; L79-I145 HydrophobicContact CD2-CD1 3.87Å; I105-I145 HydrophobicContact CG2-CD1 3.69Å; I105-I145 HydrophobicContact CG2-CG1 3.8Å; G106-I145 PolarHBondContact O-N 3.16Å; V107-I145 CarbonylContact C-O 3.57Å; V107-I145 WeakPolarHBondContact CA-O 3.49Å; V107-I145 HydrophobicContact CG2-CB 4.49Å; V108-I145 PolarHBondContact N-O 2.97Å; I145-L147 HydrophobicContact CG2-CD2 3.7Å; I145-L147 HydrophobicContact CG2-CG 4.34Å; I145-I169 CarbonylContact C-O 3.53Å; I145-I169 WeakPolarHBondContact CA-O 3.29Å; I145-I169 HydrophobicContact CG1-CB 4.48Å; I145-I171 HydrophobicContact CG2-CD1 3.52Å; I145-I171 HydrophobicContact CG2-CG1 3.97Å
146I84.4Confident72.4Confident1 Ų147.3 Ų47.31%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-99.2120.7174.5-54.1178.2000107.8V110 M133 A148 M157 I168 I169 V170 I171V110-I146 HydrophobicContact CG2-CG2 3.57Å; M133-I146 HydrophobicContact CE-CD1 3.61Å; M133-I146 HydrophobicContact CE-CG1 4.45Å; M133-I146 HydrophobicContact SD-CD1 3.89Å; I146-A148 HydrophobicContact CG2-CB 4.34Å; I146-A148 PolarHBondContact O-N 3.07Å; I146-M157 HydrophobicContact CD1-SD 4.12Å; I146-I168 HydrophobicContact CD1-CG2 3.61Å; I146-I168 HydrophobicContact CG1-CG2 4.02Å; I146-I169 PolarHBondContact N-O 2.9Å; I146-V170 HydrophobicContact CB-CG2 4.37Å; I146-V170 HydrophobicContact CD1-CG2 4.37Å; I146-I171 PolarHBondContact O-N 2.92Å
147L81.9Confident71.2Confident3 Ų348.2 Ų48.22%0.01628%0.275CS..EExtended strand (participates in β ladder)trans-95.392.5175.4-56178.3000107.7V107 V108 V110 I145 I171 V177 I181V107-L147 HydrophobicContact CG1-CD1 3.42Å; V107-L147 VanDerWaalsContact CG1-CD1 3.42Å; V107-L147 HydrophobicContact CG1-CG 3.88Å; V108-L147 PolarHBondContact O-N 2.94Å; V110-L147 WeakPolarHBondContact CB-O 2.97Å; V110-L147 WeakPolarHBondContact CG2-O 3.49Å; V110-L147 PolarHBondContact N-O 3.34Å; I145-L147 HydrophobicContact CG2-CD2 3.7Å; I145-L147 HydrophobicContact CG2-CG 4.34Å; L147-I171 HydrophobicContact CD2-CB 3.92Å; L147-I171 HydrophobicContact CD2-CD1 4.37Å; L147-I171 HydrophobicContact CD2-CG2 4.39Å; L147-V177 HydrophobicContact CB-CG1 4.15Å; L147-V177 HydrophobicContact CD1-CG1 3.81Å; L147-V177 HydrophobicContact CD2-CG1 3.69Å; L147-V177 HydrophobicContact CG-CG1 4.09Å; L147-I181 HydrophobicContact CB-CD1 4.47Å; L147-I181 HydrophobicContact CD1-CD1 3.62Å; L147-I181 HydrophobicContact CD1-CG1 3.41Å; L147-I181 VanDerWaalsContact CD1-CG1 3.41Å
148A72.7Confident69.8Low1 Ų151.4 Ų51.41%0.00829%0.293CS..EExtended strand (participates in β ladder)trans-102.3132.7-175.700000111.4V110 I146 V170 I171 T173V110-A148 HydrophobicContact CG2-CB 4.37Å; I146-A148 HydrophobicContact CG2-CB 4.34Å; I146-A148 PolarHBondContact O-N 3.07Å; A148-V170 HydrophobicContact CB-CG1 4.12Å; A148-I171 PolarHBondContact N-O 3.34Å; A148-I171 VanDerWaalsContact N-O 3.16Å; A148-T173 PolarHBondContact O-N 3.27Å
149L59.4Low68.8Low97 Ų9745.8 Ų45.851%0.50826%0.258SS..SBendtrans-69.4-25.1170.5-74.7157.8000111.9M112 T173M112-L149 HydrophobicContact CB-CD1 4.47Å; M112-L149 HydrophobicContact CG-CD1 4.11Å; L149-T173 HydrophobicContact CB-CG2 4.4Å; L149-T173 HydrophobicContact CD2-CG2 3.61Å; L149-T173 HydrophobicContact CG-CG2 3.79Å
150N58.9Low67.5Low72 Ų7246.7 Ų46.739%0.38527%0.27SS..  trans-139.3125.3-176.6-174.80.2000111.1N152 T153N150-N152 PolarHBondContact O-N 3.34Å; N150-N152 PolarHBondContact OD1-N 2.68Å; N150-N152 PolarHBondContact OD1-OD1 3.36Å; N150-T153 HydrophobicContact CB-CG2 4.08Å; N150-T153 PolarHBondContact O-N 3.16Å; N150-T153 VanDerWaalsContact O-N 3.12Å; N150-T153 PolarHBondContact O-OG1 3.04Å
151Q55.1Low66.2Low96 Ų9652.4 Ų52.445%0.44929%0.287SS..THydrogen-bonded Turntrans-57.1-34-178.5-64.817360.400112.2T153 A154 Q172Q151-T153 VanDerWaalsContact C-N 3.26Å; Q151-T153 PolarHBondContact O-N 3.44Å; Q151-A154 PolarHBondContact O-N 2.88Å; Q151-Q172 HydrophobicContact CG-CG 3.78Å; Q151-Q172 VanDerWaalsContact NE2-CD 3.29Å
152N53.5Low64.8Low89 Ų8953.8 Ų53.848%0.47630%0.296SS..Hα-helixtrans-66.2-25.9-179.1-63.966.6000113.5N150 A154 S155 E156N150-N152 PolarHBondContact O-N 3.34Å; N150-N152 PolarHBondContact OD1-N 2.68Å; N150-N152 PolarHBondContact OD1-OD1 3.36Å; N152-A154 VanDerWaalsContact C-N 3.27Å; N152-A154 PolarHBondContact O-N 3.29Å; N152-S155 PolarHBondContact O-N 2.91Å; N152-E156 PolarHBondContact O-N 2.89Å
153T55.2Low63.5Low40 Ų4054.2 Ų54.225%0.24529%0.294CS..Hα-helixtrans-69.3-25.6-178.860.30000113.1N150 Q151N150-T153 HydrophobicContact CB-CG2 4.08Å; N150-T153 PolarHBondContact O-N 3.16Å; N150-T153 VanDerWaalsContact O-N 3.12Å; N150-T153 PolarHBondContact O-OG1 3.04Å; Q151-T153 VanDerWaalsContact C-N 3.26Å; Q151-T153 PolarHBondContact O-N 3.44Å
154A55Low61.8Low9 Ų961.5 Ų61.57%0.07433%0.333CS..Hα-helixtrans-87.5-22175.800000112.9Q151 N152 M157 V170Q151-A154 PolarHBondContact O-N 2.88Å; N152-A154 VanDerWaalsContact C-N 3.27Å; N152-A154 PolarHBondContact O-N 3.29Å; A154-M157 WeakPolarHBondContact O-CG 3.46Å; A154-V170 HydrophobicContact CB-CG1 4Å; A154-V170 HydrophobicContact CB-CG2 3.74Å
155S53.6Low60.5Low104 Ų10466.5 Ų66.573%0.72737%0.368SS*.Hα-helixtrans-77.4-28.3177.4-174.60000112.6N152N152-S155 PolarHBondContact O-N 2.91Å
156E52.4Low60Low160 Ų16068.9 Ų68.975%0.74838%0.378SS*.SBendtrans-83.1-10.1-178.8-72.7-178.4174.800114.3N152 D158N152-E156 PolarHBondContact O-N 2.89Å; E156-D158 PolarHBondContact O-N 2.94Å
157M58.1Low59.5Low20 Ų2069.8 Ų69.810%0.09938%0.384CS..SBendtrans-78.9117.6175.644.3176.65700110.4V129 V130 M133 I146 A154 L159V129-M157 HydrophobicContact CB-CE 4.36Å; V129-M157 HydrophobicContact CG1-CE 3.69Å; V130-M157 HydrophobicContact CG2-CB 4.37Å; M133-M157 HydrophobicContact CE-SD 4.35Å; M133-M157 HydrophobicContact SD-CE 4.23Å; M133-M157 HydrophobicContact SD-SD 4.07Å; I146-M157 HydrophobicContact CD1-SD 4.12Å; A154-M157 WeakPolarHBondContact O-CG 3.46Å; M157-L159 HydrophobicContact CB-CD2 4.37Å; M157-L159 HydrophobicContact CB-CG 4.24Å; M157-L159 HydrophobicContact CG-CD1 3.99Å; M157-L159 HydrophobicContact CG-CD2 4.12Å; M157-L159 HydrophobicContact CG-CG 3.83Å; M157-L159 WeakPolarHBondContact O-CG 3.26Å; M157-L159 PolarHBondContact O-N 3.45Å; M157-L159 HydrophobicContact SD-CD1 3.91Å; M157-L159 HydrophobicContact SD-CD2 3.75Å; M157-L159 HydrophobicContact SD-CG 3.99Å
158D52.1Low59.4Low104 Ų10469.9 Ų69.956%0.55638%0.384SS*.  trans-68.881.6172.7-173.415.4000110.1E156 S160E156-D158 PolarHBondContact O-N 2.94Å; D158-S160 PolarHBondContact O-N 3.36Å; D158-S160 WeakPolarHBondContact OD1-CB 3.48Å; D158-S160 PolarHBondContact OD1-OG 2.86Å
159L60.5Low59.9Low11 Ų1169.9 Ų69.96%0.05838%0.384CS..G310 helixtrans-75.4-8.4-177.9-68.2171.3000112.4V55 M133 M157 Q161 V162 L163 I168V55-L159 HydrophobicContact CG1-CD1 3.85Å; M133-L159 HydrophobicContact CE-CD2 3.65Å; M133-L159 HydrophobicContact SD-CD2 4.29Å; M157-L159 HydrophobicContact CB-CD2 4.37Å; M157-L159 HydrophobicContact CB-CG 4.24Å; M157-L159 HydrophobicContact CG-CD1 3.99Å; M157-L159 HydrophobicContact CG-CD2 4.12Å; M157-L159 HydrophobicContact CG-CG 3.83Å; M157-L159 WeakPolarHBondContact O-CG 3.26Å; M157-L159 PolarHBondContact O-N 3.45Å; M157-L159 HydrophobicContact SD-CD1 3.91Å; M157-L159 HydrophobicContact SD-CD2 3.75Å; M157-L159 HydrophobicContact SD-CG 3.99Å; L159-Q161 PolarHBondContact O-N 2.88Å; L159-V162 PolarHBondContact O-N 2.89Å; L159-L163 VanDerWaalsContact C-CD1 3.47Å; L159-L163 HydrophobicContact CB-CD1 3.56Å; L159-L163 HydrophobicContact CB-CD2 4.38Å; L159-L163 HydrophobicContact CB-CG 3.85Å; L159-L163 VanDerWaalsContact O-CD1 3.28Å; L159-L163 WeakPolarHBondContact O-CD1 3.41Å; L159-L163 WeakPolarHBondContact O-CG 3.34Å; L159-L163 PolarHBondContact O-N 3.17Å; L159-L163 VanDerWaalsContact O-N 3.14Å; L159-I168 HydrophobicContact CD1-CD1 4.16Å; L159-I168 HydrophobicContact CD2-CD1 4.39Å
160S54.7Low60.9Low92 Ų9265.7 Ų65.764%0.64336%0.362SS*.G310 helixtrans-49-31.9-177.1-45.50000114.2D158D158-S160 PolarHBondContact O-N 3.36Å; D158-S160 WeakPolarHBondContact OD1-CB 3.48Å; D158-S160 PolarHBondContact OD1-OG 2.86Å
161Q52.7Low62.1Low158 Ų15862.3 Ų62.374%0.73834%0.344SS*.G310 helixtrans-89.2-14.6-176.2-61.817914.500114.2L159L159-Q161 PolarHBondContact O-N 2.88Å
162V54.5Low63.2Low29 Ų2962.6 Ų62.618%0.17635%0.346CS..THydrogen-bonded Turntrans-109.9-18.9-173.8-174.60000111.8V130 K134 L137 L159 L164V130-V162 HydrophobicContact CG1-CG2 4.46Å; K134-V162 HydrophobicContact CD-CG2 4.32Å; K134-V162 VanDerWaalsContact CE-CG2 3.42Å; K134-V162 HydrophobicContact CG-CG1 4.04Å; K134-V162 HydrophobicContact CG-CG2 3.93Å; L137-V162 HydrophobicContact CD1-CG1 3.43Å; L137-V162 VanDerWaalsContact CD1-CG1 3.43Å; L159-V162 PolarHBondContact O-N 2.89Å; V162-L164 PolarHBondContact O-N 3.01Å
163L56.8Low64Low46 Ų4661 Ų6124%0.24134%0.339CS..  trans-76.879-175-70.5163.5000112.7L159 I168L159-L163 VanDerWaalsContact C-CD1 3.47Å; L159-L163 HydrophobicContact CB-CD1 3.56Å; L159-L163 HydrophobicContact CB-CD2 4.38Å; L159-L163 HydrophobicContact CB-CG 3.85Å; L159-L163 VanDerWaalsContact O-CD1 3.28Å; L159-L163 WeakPolarHBondContact O-CD1 3.41Å; L159-L163 WeakPolarHBondContact O-CG 3.34Å; L159-L163 PolarHBondContact O-N 3.17Å; L159-L163 VanDerWaalsContact O-N 3.14Å; L163-I168 HydrophobicContact CD2-CD1 3.75Å
164L52.4Low64.9Low154 Ų15461.6 Ų61.681%0.80635%0.345SS*.SBendtrans-119.998160.5-69.3166.3000107.7V162V162-L164 PolarHBondContact O-N 3.01Å
165S59.6Low65.6Low105 Ų10567.4 Ų67.473%0.73437%0.371SS*.SBendtrans85.11155.674.50000122.1
166K75.6Confident66.7Low56 Ų5665.4 Ų65.424%0.24335%0.352CS..  trans-122.9139-177.8-70.6166.6168.4-1700112.7L137 G140 A141L137-K166 HydrophobicContact CD2-CB 4.03Å; L137-K166 HydrophobicContact CD2-CD 3.54Å; L137-K166 HydrophobicContact CD2-CG 4.42Å; G140-K166 PolarHBondContact O-NZ 3.46Å; A141-K166 WeakPolarHBondContact O-CD 3.34Å; A141-K166 WeakPolarHBondContact O-CE 3.39Å; A141-K166 PolarHBondContact O-NZ 2.91Å
167P75.6Confident68.1Low19 Ų1957.8 Ų57.812%0.12332%0.316CS..  trans-72139-176.828.4-32.5000111.9L75 A143 L144 Y196L75-P167 HydrophobicContact CD1-CG 3.59Å; A143-P167 HydrophobicContact CB-CG 3.84Å; L144-P167 PolarHBondContact N-O 2.88Å; P167-Y196 VanDerWaalsContact CB-OH 3.27Å; P167-Y196 WeakPolarHBondContact CB-OH 3.34Å; P167-Y196 VanDerWaalsContact CG-OH 3.32Å; P167-Y196 WeakPolarHBondContact CG-OH 3.27Å
168I78.6Confident69Low6 Ų660.8 Ų60.83%0.03134%0.336CS..EExtended strand (participates in β ladder)trans-115.2120.4173.9-57172.5000107.4V55 M133 L144 I146 L159 L163V55-I168 PolarHBondContact N-O 2.86Å; M133-I168 HydrophobicContact CE-CD1 3.7Å; M133-I168 HydrophobicContact CE-CG1 4.41Å; M133-I168 HydrophobicContact CE-CG2 4.12Å; L144-I168 HydrophobicContact CB-CG1 4.43Å; L144-I168 HydrophobicContact CD1-CG1 4.48Å; L144-I168 WeakPolarHBondContact O-CA 3.39Å; I146-I168 HydrophobicContact CD1-CG2 3.61Å; I146-I168 HydrophobicContact CG1-CG2 4.02Å; L159-I168 HydrophobicContact CD1-CD1 4.16Å; L159-I168 HydrophobicContact CD2-CD1 4.39Å; L163-I168 HydrophobicContact CD2-CD1 3.75Å
169I83.5Confident70.4Confident0 Ų061.1 Ų61.10%033%0.332CS..EExtended strand (participates in β ladder)trans-111.7122.3-178-59162.2000107.6A34 V36 E53 L144 I145 I146 I171 I194A34-I169 HydrophobicContact CB-CD1 3.97Å; A34-I169 HydrophobicContact CB-CG1 3.97Å; A34-I169 HydrophobicContact CB-CG2 3.96Å; V36-I169 HydrophobicContact CG2-CD1 4.25Å; V36-I169 HydrophobicContact CG2-CG2 4.18Å; E53-I169 WeakPolarHBondContact O-CA 3.44Å; L144-I169 PolarHBondContact O-N 2.78Å; I145-I169 CarbonylContact C-O 3.53Å; I145-I169 WeakPolarHBondContact CA-O 3.29Å; I145-I169 HydrophobicContact CG1-CB 4.48Å; I146-I169 PolarHBondContact N-O 2.9Å; I169-I171 HydrophobicContact CG2-CD1 4.47Å; I169-I171 HydrophobicContact CG2-CG1 3.94Å; I169-I194 HydrophobicContact CD1-CB 4.4Å; I169-I194 HydrophobicContact CD1-CD1 3.56Å; I169-I194 HydrophobicContact CD1-CG1 3.91Å; I169-I194 HydrophobicContact CD1-CG2 3.58Å
170V81.3Confident71.4Confident9 Ų961.1 Ų61.16%0.05533%0.332CS..EExtended strand (participates in β ladder)trans-98.8115.3176.5-177.70000107.9G52 E53 V55 I146 A148 A154G52-V170 CarbonylContact C-O 3.56Å; G52-V170 WeakPolarHBondContact CA-O 3.48Å; E53-V170 PolarHBondContact N-O 3.02Å; E53-V170 PolarHBondContact O-N 2.82Å; V55-V170 HydrophobicContact CG2-CG2 3.58Å; I146-V170 HydrophobicContact CB-CG2 4.37Å; I146-V170 HydrophobicContact CD1-CG2 4.37Å; A148-V170 HydrophobicContact CB-CG1 4.12Å; A154-V170 HydrophobicContact CB-CG1 4Å; A154-V170 HydrophobicContact CB-CG2 3.74Å
171I82.8Confident72.7Confident2 Ų258.2 Ų58.21%0.0131%0.309CS..EExtended strand (participates in β ladder)trans-106.8125.5177.8-55.7180000108V36 L50 I145 I146 L147 A148 I169 V177V36-I171 HydrophobicContact CB-CD1 4.3Å; V36-I171 HydrophobicContact CG2-CD1 4.06Å; L50-I171 HydrophobicContact CB-CD1 4.03Å; L50-I171 HydrophobicContact CB-CG2 4.28Å; L50-I171 HydrophobicContact CD1-CD1 4.16Å; I145-I171 HydrophobicContact CG2-CD1 3.52Å; I145-I171 HydrophobicContact CG2-CG1 3.97Å; I146-I171 PolarHBondContact O-N 2.92Å; L147-I171 HydrophobicContact CD2-CB 3.92Å; L147-I171 HydrophobicContact CD2-CD1 4.37Å; L147-I171 HydrophobicContact CD2-CG2 4.39Å; A148-I171 PolarHBondContact N-O 3.34Å; A148-I171 VanDerWaalsContact N-O 3.16Å; I169-I171 HydrophobicContact CG2-CD1 4.47Å; I169-I171 HydrophobicContact CG2-CG1 3.94Å; I171-V177 HydrophobicContact CG2-CG2 3.7Å
172Q78.7Confident74Confident102 Ų10251.6 Ų51.648%0.47728%0.283SS..EExtended strand (participates in β ladder)trans-69.5140.6173.5-66.217636.400110.3Q151 S174Q151-Q172 HydrophobicContact CG-CG 3.78Å; Q151-Q172 VanDerWaalsContact NE2-CD 3.29Å; Q172-S174 PolarHBondContact O-N 3.12Å
173T69.8Low75.2Confident54 Ų5450.5 Ų50.533%0.33128%0.277SS..  trans-59.6123.2178.451.90000112A148 L149A148-T173 PolarHBondContact O-N 3.27Å; L149-T173 HydrophobicContact CB-CG2 4.4Å; L149-T173 HydrophobicContact CD2-CG2 3.61Å; L149-T173 HydrophobicContact CG-CG2 3.79Å
174S74Confident76.5Confident53 Ų5349.1 Ų49.137%0.37127%0.27SS..  trans-131.1173172.369.10000110.5Q172 N176 V177 T178Q172-S174 PolarHBondContact O-N 3.12Å; S174-N176 PolarHBondContact O-N 3.06Å; S174-V177 WeakPolarHBondContact O-CB 3.25Å; S174-V177 PolarHBondContact O-N 3.22Å; S174-V177 WeakPolarHBondContact OG-CG2 3.15Å; S174-V177 PolarHBondContact OG-N 3.27Å; S174-T178 PolarHBondContact O-N 3.08Å
175E69.5Low77.9Confident132 Ų13247 Ų4762%0.61726%0.259SS*.Hα-helixtrans-57.9-31.5175.7-163-168.8148.700112.5T178 K179E175-T178 PolarHBondContact O-OG1 3.2Å; E175-T178 VanDerWaalsContact O-OG1 3.04Å; E175-K179 WeakPolarHBondContact O-CD 3.42Å; E175-K179 VanDerWaalsContact O-CG 3.27Å; E175-K179 WeakPolarHBondContact O-CG 3.41Å; E175-K179 PolarHBondContact O-N 3.12Å; E175-K179 VanDerWaalsContact OE1-CE 3.25Å; E175-K179 WeakPolarHBondContact OE1-CE 3.5Å; E175-K179 IonicContact OE1-NZ 3.08Å; E175-K179 PolarHBondContact OE1-NZ 3.28Å
176N78.3Confident79Confident61 Ų6151.5 Ų51.533%0.32626%0.26SS..Hα-helixtrans-73.3-36.1177-64.7-20.8000111.5L50 S174 K179 L180L50-N176 HydrophobicContact CD2-CB 3.56Å; S174-N176 PolarHBondContact O-N 3.06Å; N176-K179 PolarHBondContact O-N 3.22Å; N176-L180 PolarHBondContact O-N 3.06Å
177V80.3Confident79.2Confident0 Ų051.7 Ų51.70%028%0.278CS..Hα-helixtrans-65.9-44.4176.1175.40000111.1L50 L147 I171 S174 K179 L180 I181L50-V177 HydrophobicContact CD1-CG2 4.31Å; L50-V177 HydrophobicContact CD2-CG2 3.81Å; L147-V177 HydrophobicContact CB-CG1 4.15Å; L147-V177 HydrophobicContact CD1-CG1 3.81Å; L147-V177 HydrophobicContact CD2-CG1 3.69Å; L147-V177 HydrophobicContact CG-CG1 4.09Å; I171-V177 HydrophobicContact CG2-CG2 3.7Å; S174-V177 WeakPolarHBondContact O-CB 3.25Å; S174-V177 PolarHBondContact O-N 3.22Å; S174-V177 WeakPolarHBondContact OG-CG2 3.15Å; S174-V177 PolarHBondContact OG-N 3.27Å; V177-K179 VanDerWaalsContact C-N 3.33Å; V177-K179 PolarHBondContact O-N 3.21Å; V177-L180 WeakPolarHBondContact O-CB 3.38Å; V177-L180 PolarHBondContact O-N 3.06Å; V177-I181 HydrophobicContact CG1-CD1 3.93Å; V177-I181 HydrophobicContact CG1-CG1 4.38Å; V177-I181 WeakPolarHBondContact O-CG1 3.44Å; V177-I181 PolarHBondContact O-N 3.04Å
178T78.5Confident79.6Confident83 Ų8353 Ų5351%0.50928%0.283SS..Hα-helixtrans-67-35.4179.257.30000112.1S174 E175 G182S174-T178 PolarHBondContact O-N 3.08Å; E175-T178 PolarHBondContact O-OG1 3.2Å; E175-T178 VanDerWaalsContact O-OG1 3.04Å; T178-G182 PolarHBondContact O-N 3.12Å
179K79.9Confident79.9Confident112 Ų11258.7 Ų58.749%0.48730%0.304SS..Hα-helixtrans-61.4-42.8170.2-74.6170.2-173.2164.40111.8E175 N176 V177 G182 A183E175-K179 WeakPolarHBondContact O-CD 3.42Å; E175-K179 VanDerWaalsContact O-CG 3.27Å; E175-K179 WeakPolarHBondContact O-CG 3.41Å; E175-K179 PolarHBondContact O-N 3.12Å; E175-K179 VanDerWaalsContact OE1-CE 3.25Å; E175-K179 WeakPolarHBondContact OE1-CE 3.5Å; E175-K179 IonicContact OE1-NZ 3.08Å; E175-K179 PolarHBondContact OE1-NZ 3.28Å; N176-K179 PolarHBondContact O-N 3.22Å; V177-K179 VanDerWaalsContact C-N 3.33Å; V177-K179 PolarHBondContact O-N 3.21Å; K179-G182 PolarHBondContact O-N 3.4Å; K179-A183 WeakPolarHBondContact O-CB 3.36Å; K179-A183 PolarHBondContact O-N 3.4Å
180L81.7Confident80Confident11 Ų1158.8 Ų58.86%0.05831%0.305CS..Hα-helixtrans-64.2-50.2177.1177.660.8000112V38 L50 L79 N176 V177 G182 A183 L184 A190V38-L180 HydrophobicContact CG1-CD1 3.7Å; V38-L180 HydrophobicContact CG1-CD2 4.34Å; V38-L180 HydrophobicContact CG2-CD2 4.17Å; L50-L180 HydrophobicContact CD1-CD2 3.85Å; L79-L180 HydrophobicContact CD1-CD1 4.11Å; L79-L180 HydrophobicContact CD1-CD2 4.18Å; N176-L180 PolarHBondContact O-N 3.06Å; V177-L180 WeakPolarHBondContact O-CB 3.38Å; V177-L180 PolarHBondContact O-N 3.06Å; L180-G182 VanDerWaalsContact C-N 3.27Å; L180-G182 PolarHBondContact O-N 2.94Å; L180-A183 WeakPolarHBondContact O-CB 3.3Å; L180-A183 PolarHBondContact O-N 3.22Å; L180-L184 HydrophobicContact CD1-CD1 4.21Å; L180-L184 HydrophobicContact CD1-CG 4.15Å; L180-L184 HydrophobicContact CG-CD1 4.17Å; L180-L184 HydrophobicContact CG-CG 4.49Å; L180-L184 WeakPolarHBondContact O-CG 3.47Å; L180-L184 PolarHBondContact O-N 3.48Å; L180-A190 HydrophobicContact CD1-CB 4.34Å
181I82.2Confident80.3Confident31 Ų3160.4 Ų60.416%0.15932%0.315CS..Hα-helixtrans-56.5-46.9176.3-65.1167000109.7L147 V177 A183 L184 L185L147-I181 HydrophobicContact CB-CD1 4.47Å; L147-I181 HydrophobicContact CD1-CD1 3.62Å; L147-I181 HydrophobicContact CD1-CG1 3.41Å; L147-I181 VanDerWaalsContact CD1-CG1 3.41Å; V177-I181 HydrophobicContact CG1-CD1 3.93Å; V177-I181 HydrophobicContact CG1-CG1 4.38Å; V177-I181 WeakPolarHBondContact O-CG1 3.44Å; V177-I181 PolarHBondContact O-N 3.04Å; I181-A183 VanDerWaalsContact C-N 3.27Å; I181-A183 PolarHBondContact O-N 3.04Å; I181-L184 PolarHBondContact O-N 3.01Å; I181-L185 HydrophobicContact CG2-CD1 3.71Å; I181-L185 HydrophobicContact CG2-CG 4.18Å; I181-L185 WeakPolarHBondContact O-CB 3.33Å; I181-L185 WeakPolarHBondContact O-CG 3.17Å; I181-L185 PolarHBondContact O-N 3.24Å
182G79.6Confident80.6Confident18 Ų1860.3 Ų60.319%0.18632%0.315CS..Hα-helixtrans-62.3-30.8177.200000113.7T178 K179 L180 R186T178-G182 PolarHBondContact O-N 3.12Å; K179-G182 PolarHBondContact O-N 3.4Å; L180-G182 VanDerWaalsContact C-N 3.27Å; L180-G182 PolarHBondContact O-N 2.94Å; G182-R186 VanDerWaalsContact O-CD 3.25Å; G182-R186 WeakPolarHBondContact O-CD 3.5Å; G182-R186 WeakPolarHBondContact O-CG 3.36Å; G182-R186 PolarHBondContact O-N 3.06Å
183A81.4Confident81.1Confident6 Ų658.2 Ų58.25%0.0530%0.304CS..Hα-helixtrans-72.5-47173.900000111.7L40 K179 L180 I181 R186 G187 L188L40-A183 HydrophobicContact CD2-CB 3.87Å; K179-A183 WeakPolarHBondContact O-CB 3.36Å; K179-A183 PolarHBondContact O-N 3.4Å; L180-A183 WeakPolarHBondContact O-CB 3.3Å; L180-A183 PolarHBondContact O-N 3.22Å; I181-A183 VanDerWaalsContact C-N 3.27Å; I181-A183 PolarHBondContact O-N 3.04Å; A183-R186 WeakPolarHBondContact O-CB 3.39Å; A183-R186 PolarHBondContact O-N 3.46Å; A183-R186 VanDerWaalsContact O-N 3.16Å; A183-G187 PolarHBondContact O-N 3.26Å; A183-L188 HydrophobicContact CB-CB 4.34Å; A183-L188 HydrophobicContact CB-CD1 3.92Å; A183-L188 VanDerWaalsContact O-CB 3.29Å; A183-L188 WeakPolarHBondContact O-CB 3.2Å; A183-L188 PolarHBondContact O-N 2.91Å; A183-L188 VanDerWaalsContact O-N 3.11Å
184L82.6Confident81.9Confident18 Ų1855.6 Ų55.69%0.09429%0.288CS..Hα-helixtrans-64.4-41.8179.2-66.8176.7000112L79 V107 L180 I181 R186 G187 A190L79-L184 HydrophobicContact CB-CD2 4.27Å; V107-L184 HydrophobicContact CB-CD1 4.48Å; V107-L184 HydrophobicContact CG2-CD1 4.27Å; L180-L184 HydrophobicContact CD1-CD1 4.21Å; L180-L184 HydrophobicContact CD1-CG 4.15Å; L180-L184 HydrophobicContact CG-CD1 4.17Å; L180-L184 HydrophobicContact CG-CG 4.49Å; L180-L184 WeakPolarHBondContact O-CG 3.47Å; L180-L184 PolarHBondContact O-N 3.48Å; I181-L184 PolarHBondContact O-N 3.01Å; L184-R186 PolarHBondContact O-N 3.22Å; L184-G187 WeakPolarHBondContact O-CA 3.46Å; L184-G187 PolarHBondContact O-N 3.46Å; L184-A190 HydrophobicContact CD2-CB 4.11Å
185L83.1Confident82.5Confident110 Ų11054.4 Ų54.458%0.57628%0.278SS*.Hα-helixtrans-63.7-26.4175.1-73.9174.2000112.9L81 I181 G187L81-L185 HydrophobicContact CD2-CD2 3.43Å; L81-L185 VanDerWaalsContact CD2-CD2 3.43Å; L81-L185 HydrophobicContact CD2-CG 4.05Å; I181-L185 HydrophobicContact CG2-CD1 3.71Å; I181-L185 HydrophobicContact CG2-CG 4.18Å; I181-L185 WeakPolarHBondContact O-CB 3.33Å; I181-L185 WeakPolarHBondContact O-CG 3.17Å; I181-L185 PolarHBondContact O-N 3.24Å; L185-G187 PolarHBondContact O-N 2.99Å
186R82.8Confident83.1Confident199 Ų19949.9 Ų49.975%0.75126%0.256SS*.THydrogen-bonded Turntrans-80.51.8173.2-71.5170.8-172.7136.50.5113G182 A183 L184 L188G182-R186 VanDerWaalsContact O-CD 3.25Å; G182-R186 WeakPolarHBondContact O-CD 3.5Å; G182-R186 WeakPolarHBondContact O-CG 3.36Å; G182-R186 PolarHBondContact O-N 3.06Å; A183-R186 WeakPolarHBondContact O-CB 3.39Å; A183-R186 PolarHBondContact O-N 3.46Å; A183-R186 VanDerWaalsContact O-N 3.16Å; L184-R186 PolarHBondContact O-N 3.22Å; R186-L188 HydrophobicContact CB-CG 4.46Å
187G79.9Confident82.9Confident60 Ų6051.8 Ų51.862%0.61926%0.263SS*.THydrogen-bonded Turntrans78.317.2-17900000114.1A183 L184 L185A183-G187 PolarHBondContact O-N 3.26Å; L184-G187 WeakPolarHBondContact O-CA 3.46Å; L184-G187 PolarHBondContact O-N 3.46Å; L185-G187 PolarHBondContact O-N 2.99Å
188L82.8Confident82Confident45 Ų4556.7 Ų56.724%0.23629%0.293CS..  trans-74.9136.9173.4-59.9179.5000109.9Q42 A183 R186Q42-L188 HydrophobicContact CG-CD2 4.24Å; A183-L188 HydrophobicContact CB-CB 4.34Å; A183-L188 HydrophobicContact CB-CD1 3.92Å; A183-L188 VanDerWaalsContact O-CB 3.29Å; A183-L188 WeakPolarHBondContact O-CB 3.2Å; A183-L188 PolarHBondContact O-N 2.91Å; A183-L188 VanDerWaalsContact O-N 3.11Å; R186-L188 HydrophobicContact CB-CG 4.46Å
189R84.5Confident80.8Confident126 Ų12656.1 Ų56.148%0.47529%0.286SS..  trans-84.9138175.4-54.9179.481.6-179.64.8109.4E41E41-R189 HydrophobicContact CB-CB 4.31Å; E41-R189 PolarHBondContact N-O 3.11Å; E41-R189 WeakPolarHBondContact OE2-CB 3.48Å; E41-R189 VanDerWaalsContact OE2-CD 3.29Å; E41-R189 WeakPolarHBondContact OE2-CD 3.44Å
190A86.9Confident79.1Confident2 Ų257.4 Ų57.42%0.01730%0.298CS..EExtended strand (participates in β ladder)trans-135.5146.4177.900000109.7V38 F39 L40 L79 L180 L184V38-A190 HydrophobicContact CG1-CB 4.06Å; F39-A190 CarbonylContact O-C 3.58Å; F39-A190 WeakPolarHBondContact O-CA 3.36Å; L40-A190 HydrophobicContact CD2-CB 4.04Å; L79-A190 HydrophobicContact CB-CB 4.3Å; L79-A190 HydrophobicContact CD1-CB 3.9Å; L79-A190 PolarHBondContact N-O 3.39Å; L180-A190 HydrophobicContact CD1-CB 4.34Å; L184-A190 HydrophobicContact CD2-CB 4.11Å
191T87.3Confident77.3Confident44 Ų4459.7 Ų59.727%0.2731%0.308SS..EExtended strand (participates in β ladder)trans-111.2146171.659.40000109V38 F39 N78V38-T191 CarbonylContact C-O 3.52Å; V38-T191 WeakPolarHBondContact CA-O 3.43Å; F39-T191 PolarHBondContact N-O 3.29Å; F39-T191 PolarHBondContact O-N 2.69Å; N78-T191 WeakPolarHBondContact OD1-CG2 3.27Å
192A89.4Confident75Confident0 Ų065 Ų650%034%0.337CS..EExtended strand (participates in β ladder)trans-123.9139.2175.900000111V36 E37 V38 E76 G77 L79 I105V36-A192 HydrophobicContact CG1-CB 4.04Å; E37-A192 CarbonylContact O-C 3.59Å; E37-A192 VanDerWaalsContact O-CA 3.3Å; E37-A192 WeakPolarHBondContact O-CA 3.3Å; V38-A192 HydrophobicContact CG2-CB 4.32Å; E76-A192 WeakPolarHBondContact CA-O 3.45Å; G77-A192 PolarHBondContact N-O 2.96Å; G77-A192 VanDerWaalsContact N-O 3.08Å; G77-A192 PolarHBondContact O-N 3.34Å; L79-A192 HydrophobicContact CD1-CB 3.97Å; L79-A192 HydrophobicContact CD2-CB 3.59Å; L79-A192 HydrophobicContact CG-CB 3.73Å; I105-A192 HydrophobicContact CD1-CB 4.08Å
193K88.9Confident73Confident57 Ų5771.6 Ų71.625%0.24837%0.367CS..EExtended strand (participates in β ladder)trans-114.1123172-176.1177.4-178.6174.60108.7V36 E37 F39V36-K193 WeakPolarHBondContact CA-O 3.46Å; E37-K193 HydrophobicContact CB-CB 4.43Å; E37-K193 PolarHBondContact N-O 2.9Å; E37-K193 PolarHBondContact O-N 3.2Å; F39-K193 HydrophobicContact CE2-CB 4.27Å
194I87.4Confident71.1Confident0 Ų077.4 Ų77.40%040%0.397CS..EExtended strand (participates in β ladder)trans-107.4125.1-178-59.4161.5000108.6A34 L35 V36 Q74 L75 I105 A143 I169 Y196A34-I194 HydrophobicContact CB-CG2 4.21Å; L35-I194 WeakPolarHBondContact O-CA 3.5Å; V36-I194 HydrophobicContact CG1-CG1 4.33Å; V36-I194 HydrophobicContact CG2-CG1 4.21Å; Q74-I194 WeakPolarHBondContact CA-O 3.27Å; L75-I194 HydrophobicContact CB-CB 4.25Å; L75-I194 HydrophobicContact CB-CD1 4.32Å; L75-I194 PolarHBondContact N-O 2.98Å; L75-I194 PolarHBondContact O-N 2.54Å; I105-I194 HydrophobicContact CD1-CD1 3.78Å; I105-I194 HydrophobicContact CD1-CG1 4.46Å; A143-I194 HydrophobicContact CB-CD1 4.03Å; I169-I194 HydrophobicContact CD1-CB 4.4Å; I169-I194 HydrophobicContact CD1-CD1 3.56Å; I169-I194 HydrophobicContact CD1-CG1 3.91Å; I169-I194 HydrophobicContact CD1-CG2 3.58Å; I194-Y196 HydrophobicContact CG2-CE1 4.1Å; I194-Y196 HydrophobicContact CG2-CE2 4.11Å
195T85.1Confident69Low27 Ų2779.3 Ų79.317%0.16642%0.421CS..EExtended strand (participates in β ladder)trans-118.2148.5169.863.10000110.1A34 L35 Q74A34-T195 CarbonylContact C-O 3.58Å; A34-T195 WeakPolarHBondContact CA-O 3.25Å; L35-T195 WeakPolarHBondContact CB-OG1 3.46Å; L35-T195 PolarHBondContact N-O 2.87Å; L35-T195 PolarHBondContact O-N 3.14Å; Q74-T195 HydrophobicContact CG-CG2 4.16Å
196Y81.8Confident66.8Low37 Ų3778.9 Ų78.915%0.14543%0.433CS..EExtended strand (participates in β ladder)trans-113.1125.9-176.5-63.5-77.1000110.4Q32 A34 V54 L75 P167 I194Q32-Y196 HydrophobicContact CG-CD1 4.48Å; A34-Y196 HydrophobicContact CB-CD1 4.17Å; A34-Y196 HydrophobicContact CB-CE1 4.15Å; V54-Y196 HydrophobicContact CG2-CD1 3.91Å; V54-Y196 HydrophobicContact CG2-CE1 3.85Å; L75-Y196 HydrophobicContact CD1-CE2 4.23Å; L75-Y196 WeakPolarHBondContact CD1-OH 3.36Å; P167-Y196 VanDerWaalsContact CB-OH 3.27Å; P167-Y196 WeakPolarHBondContact CB-OH 3.34Å; P167-Y196 VanDerWaalsContact CG-OH 3.32Å; P167-Y196 WeakPolarHBondContact CG-OH 3.27Å; I194-Y196 HydrophobicContact CG2-CE1 4.1Å; I194-Y196 HydrophobicContact CG2-CE2 4.11Å
197E75.4Confident64.7Low101 Ų10173.5 Ų73.547%0.47242%0.423SS..EExtended strand (participates in β ladder)trans-117.9131.8174.9-66.8-172.1169.600109.9V33 L35V33-E197 PolarHBondContact N-O 3.47Å; V33-E197 PolarHBondContact O-N 3Å; L35-E197 VanDerWaalsContact CD1-CD 3.47Å; L35-E197 HydrophobicContact CD1-CG 4.15Å; L35-E197 WeakPolarHBondContact CD1-OE1 3.06Å
198T61.3Low62.8Low104 Ų10479.3 Ų79.364%0.63844%0.439SS*.EExtended strand (participates in β ladder)trans-88.7109.5170.654.70000108.7L200T198-L200 PolarHBondContact O-N 3.31Å
199I53.3Low60.8Low71 Ų7182.9 Ų82.936%0.36446%0.463SS..EExtended strand (participates in β ladder)trans-87.1112.6174.5-56.4-176.2000107.5E31 V33 Q201E31-I199 PolarHBondContact O-N 2.98Å; V33-I199 HydrophobicContact CB-CD1 4.07Å; V33-I199 HydrophobicContact CB-CG1 4.4Å; V33-I199 HydrophobicContact CG2-CD1 3.54Å; V33-I199 HydrophobicContact CG2-CG1 4.03Å; I199-Q201 PolarHBondContact O-N 3.32Å
200L43.1Very low58.6Low139 Ų13983.8 Ų83.873%0.72848%0.476SS*.  trans-67.2101.2162.9-77.6167.4000107.1T198 D202T198-L200 PolarHBondContact O-N 3.31Å; L200-D202 PolarHBondContact O-N 2.03Å
201Q44.1Very low56.6Low58 Ų5895.8 Ų95.827%0.27152%0.521SS..  trans-74.771-179.6-150.3166.720.400109.7E31 I199 N203 L204E31-Q201 PolarHBondContact OE2-NE2 2.98Å; E31-Q201 PolarHBondContact OE2-OE1 3.5Å; I199-Q201 PolarHBondContact O-N 3.32Å; Q201-N203 PolarHBondContact O-N 2.82Å; Q201-N203 VanDerWaalsContact O-N 3.11Å; Q201-L204 VanDerWaalsContact CD-CD1 3.44Å; Q201-L204 HydrophobicContact CG-CD1 4.15Å; Q201-L204 HydrophobicContact CG-CG 4.14Å
202D34.6Very low54.3Low143 Ų14398.6 Ų98.677%0.76554%0.543SS*.THydrogen-bonded Turntrans-60.7112.2157.8-80.4-26.9000106.1L200L200-D202 PolarHBondContact O-N 2.03Å
203N36.9Very low52Low156 Ų156104.1 Ų104.183%0.83458%0.581SS**THydrogen-bonded Turntrans98.754.5176.8-49.7-75000118Q201 G205Q201-N203 PolarHBondContact O-N 2.82Å; Q201-N203 VanDerWaalsContact O-N 3.11Å; N203-G205 PolarHBondContact O-N 2.92Å
204L42.4Very low50Low129 Ų129104.4 Ų104.468%0.67559%0.589SS**  trans-85.273.9143.7-86.2161000109.7Q201 A206Q201-L204 VanDerWaalsContact CD-CD1 3.44Å; Q201-L204 HydrophobicContact CG-CD1 4.15Å; Q201-L204 HydrophobicContact CG-CG 4.14Å; L204-A206 VanDerWaalsContact C-N 3.3Å; L204-A206 PolarHBondContact O-N 3.32Å; L204-A206 VanDerWaalsContact O-N 3.14Å
205G38.6Very low48Very low57 Ų57106.4 Ų106.459%0.58861%0.61SS**  trans-75.686.2159.600000108.7N203 T207N203-G205 PolarHBondContact O-N 2.92Å; G205-T207 VanDerWaalsContact C-N 3.31Å; G205-T207 PolarHBondContact O-N 2.81Å; G205-T207 PolarHBondContact O-OG1 2.92Å
206A37.1Very low46Very low101 Ų101116.9 Ų116.984%0.83565%0.647SS**  trans-5896.8168.400000108.6L204L204-A206 VanDerWaalsContact C-N 3.3Å; L204-A206 PolarHBondContact O-N 3.32Å; L204-A206 VanDerWaalsContact O-N 3.14Å
207T38.8Very low44.1Very low87 Ų87120.2 Ų120.253%0.53468%0.676SS.*  trans-97.9110.6179.528.70000108.2G205 T209G205-T207 VanDerWaalsContact C-N 3.31Å; G205-T207 PolarHBondContact O-N 2.81Å; G205-T207 PolarHBondContact O-OG1 2.92Å; T207-T209 PolarHBondContact O-N 3.15Å
208L38.7Very low42.7Very low182 Ų182127.7 Ų127.795%0.95370%0.7SS**  trans-58.398.7166.5-76.5162.1000108.3
209T40.7Very low42.1Very low120 Ų120126.7 Ų126.774%0.73671%0.71SS**  trans-83.2127.5170.9540000109.2T207 W211T207-T209 PolarHBondContact O-N 3.15Å; T209-W211 PolarHBondContact O-N 3.4Å
210L39.3Very low41.7Very low144 Ų144125.6 Ų125.675%0.75472%0.716SS**  trans-61.2135.1172.1-141.796.9000108.7S212L210-S212 PolarHBondContact O-N 3.23Å
211W44.2Very low41.9Very low254 Ų254126.5 Ų126.596%0.96272%0.721SS**G310 helixtrans-50.7-9.9-179.4-9327.4000116.3T209 S213T209-W211 PolarHBondContact O-N 3.4Å; W211-S213 VanDerWaalsContact C-N 3.35Å; W211-S213 PolarHBondContact O-N 2.92Å
212S39.8Very low41.7Very low104 Ų104135.6 Ų135.673%0.72775%0.754SS**G310 helixtrans-79.3-2.7-16957.20000116.3L210L210-S212 PolarHBondContact O-N 3.23Å
213S41.5Very low42.4Very low116 Ų116131.2 Ų131.281%0.81174%0.743SS**G310 helixtrans-107.3-9.9-177.9-176.60000115.1W211W211-S213 VanDerWaalsContact C-N 3.35Å; W211-S213 PolarHBondContact O-N 2.92Å
214C45.9Very low43Very low62 Ų62131.4 Ų131.442%0.41974%0.739SS.*SBendtrans-99.4112.3176.7178.50000108.4C230C214-C230 HydrophobicContact CB-CB 3.77Å; C214-C230 WeakPolarHBondContact CB-SG 3.09Å; C214-C230 WeakPolarHBondContact SG-CB 3.31Å; C214-C230 CovalentContact SG-SG 2.03Å; C214-C230 PolarHBondContact SG-SG 3.24Å
215G45Very low43.2Very low43 Ų43132.2 Ų132.244%0.44373%0.733SS.*  trans115.164.7169.100000115.8
216R44.3Very low43.2Very low247 Ų247138.4 Ų138.493%0.93275%0.747SS**  trans-14577.2151-73.5-162.3131.9890.4111.7
217S40.2Very low43.7Very low107 Ų107137 Ų13775%0.74874%0.742SS**  trans-115.9139.3151.9-86.90000110.2
218R46.4Very low43.7Very low258 Ų258137.4 Ų137.497%0.97474%0.744SS**SBendtrans-63.5124-162.7-71.8165.3152.4142.7-6.9113.5
219G48.3Very low44.2Very low83 Ų83135.9 Ų135.986%0.85674%0.736SS**  trans114.516.4141.600000121.1
220G46Very low44.3Very low48 Ų48134 Ų13450%0.49573%0.727SS.*  trans-96.7145176.600000114.6
221L46.8Very low44.6Very low158 Ų158132.8 Ų132.883%0.82773%0.725SS**  trans-64148.6174.3-97.686.2000111.6G223L221-G223 PolarHBondContact O-N 2.79Å
222Y40Very low44.6Very low249 Ų249123.6 Ų123.698%0.97671%0.709SS**THydrogen-bonded Turntrans-59102.1178.2-98.4-101.2000111.2
223G50.3Low44.8Very low51 Ų51125.9 Ų125.953%0.52671%0.708SS.*THydrogen-bonded Turntrans163.1-25.8174.300000115.3L221 W225L221-G223 PolarHBondContact O-N 2.79Å; G223-W225 VanDerWaalsContact C-N 3.29Å; G223-W225 PolarHBondContact O-N 3.31Å
224E49.3Very low45.1Very low160 Ų160124.5 Ų124.575%0.74870%0.699SS**THydrogen-bonded Turntrans-81.85.4-175.5-74.6-179.3146.300115.3
225W46.9Very low45.1Very low146 Ų146127.4 Ų127.455%0.55371%0.71SS**THydrogen-bonded Turntrans-101-0.5-173.4-61.293.6000114.8G223 G227 V228G223-W225 VanDerWaalsContact C-N 3.29Å; G223-W225 PolarHBondContact O-N 3.31Å; W225-G227 PolarHBondContact O-N 3.49Å; W225-V228 HydrophobicContact CE3-CG2 3.98Å
226Q37.3Very low45.5Very low186 Ų186127.1 Ų127.187%0.86970%0.702SS**SBendtrans-84.290.5174.5-96.9142.4-41.700110.2
227G47.8Very low45.9Very low71 Ų71122.6 Ų122.673%0.73269%0.691SS**SBendtrans141.2-11.2171.200000115.7W225 I229W225-G227 PolarHBondContact O-N 3.49Å; G227-I229 PolarHBondContact O-N 3.35Å
228V40Very low46.8Very low97 Ų97122.4 Ų122.459%0.58869%0.685SS**  trans-85.394.8176.4-99.60000110.6W225W225-V228 HydrophobicContact CE3-CG2 3.98Å
229I48.2Very low47.3Very low150 Ų150114 Ų11477%0.76966%0.657SS**  trans-81.3116.3161.9-61.9159.8000106G227 T231G227-I229 PolarHBondContact O-N 3.35Å; I229-T231 PolarHBondContact O-N 3.34Å
230C43Very low48Very low81 Ų81116.6 Ų116.655%0.54765%0.645SS.*  trans-62.599.7170.2-86.90000108.7C214 G232C214-C230 HydrophobicContact CB-CB 3.77Å; C214-C230 WeakPolarHBondContact CB-SG 3.09Å; C214-C230 WeakPolarHBondContact SG-CB 3.31Å; C214-C230 CovalentContact SG-SG 2.03Å; C214-C230 PolarHBondContact SG-SG 3.24Å; C230-G232 VanDerWaalsContact C-N 3.31Å; C230-G232 PolarHBondContact O-N 2.9Å
231T46.1Very low49.2Very low117 Ų117121.8 Ų121.872%0.71865%0.651SS**  trans-66.399.1159.7520000105.8I229 E233I229-T231 PolarHBondContact O-N 3.34Å; T231-E233 PolarHBondContact O-N 3.38Å
232G44.2Very low50.6Low62 Ų62119 Ų11964%0.63964%0.636SS**  trans-51.5116.1177.400000108.6C230 S234C230-G232 VanDerWaalsContact C-N 3.31Å; C230-G232 PolarHBondContact O-N 2.9Å; G232-S234 PolarHBondContact O-N 2.94Å
233E42.7Very low52.1Low151 Ų151111.7 Ų111.771%0.70661%0.61SS**  trans-58.6103.1173.5-176.6162-155.300107.6T231 N235 S236T231-E233 PolarHBondContact O-N 3.38Å; E233-N235 PolarHBondContact O-N 3.04Å; E233-S236 PolarHBondContact O-N 3.43Å; E233-S236 VanDerWaalsContact O-N 3.15Å
234S47.7Very low53.5Low88 Ų88115.2 Ų115.262%0.61561%0.613SS**THydrogen-bonded Turntrans-63.9-3.3-175.354.20000113.1G232G232-S234 PolarHBondContact O-N 2.94Å
235N46Very low55.2Low122 Ų122112.6 Ų112.665%0.65260%0.604SS**THydrogen-bonded Turntrans-119.821.4179.9-81.5-58.6000114.5E233 Q237E233-N235 PolarHBondContact O-N 3.04Å; N235-Q237 PolarHBondContact O-N 3.31Å
236S53.3Low56.8Low38 Ų38112.9 Ų112.927%0.26661%0.605SS.*  trans-68.7131.6170.671.50000110.9E233 V238 Q239E233-S236 PolarHBondContact O-N 3.43Å; E233-S236 VanDerWaalsContact O-N 3.15Å; S236-V238 PolarHBondContact O-N 2.85Å; S236-Q239 WeakPolarHBondContact O-CB 3.49Å; S236-Q239 PolarHBondContact O-N 3.22Å; S236-Q239 WeakPolarHBondContact OG-CB 3.48Å; S236-Q239 PolarHBondContact OG-N 3.46Å
237Q54.3Low58.7Low151 Ų151108 Ų10871%0.70659%0.585SS**Hα-helixtrans-50.3-32.8173.9-116167-12.500111.6N235 K240 Y241N235-Q237 PolarHBondContact O-N 3.31Å; Q237-K240 PolarHBondContact O-N 3.11Å; Q237-Y241 WeakPolarHBondContact O-CD2 3.35Å; Q237-Y241 PolarHBondContact O-N 3.36Å
238V58.1Low60.7Low104 Ų104108.1 Ų108.163%0.6357%0.572SS**Hα-helixtrans-64-37.8178-175.40000112.3S236 K240 Y241 L242S236-V238 PolarHBondContact O-N 2.85Å; V238-K240 VanDerWaalsContact C-N 3.35Å; V238-K240 PolarHBondContact O-N 2.97Å; V238-Y241 PolarHBondContact O-N 3.46Å; V238-L242 PolarHBondContact O-N 3.29Å
239Q57.5Low63.2Low81 Ų81107 Ų10738%0.37956%0.564SS.*Hα-helixtrans-68.4-33.8178.4-171.3160.4-40.900112.1S236 L242 Q243S236-Q239 WeakPolarHBondContact O-CB 3.49Å; S236-Q239 PolarHBondContact O-N 3.22Å; S236-Q239 WeakPolarHBondContact OG-CB 3.48Å; S236-Q239 PolarHBondContact OG-N 3.46Å; Q239-L242 PolarHBondContact O-N 2.86Å; Q239-Q243 WeakPolarHBondContact O-CB 3.3Å; Q239-Q243 PolarHBondContact O-N 3.44Å
240K62.6Low65.1Low138 Ų138104.7 Ų104.760%0.655%0.553SS**Hα-helixtrans-63.1-43.7171.9-66.7-176.6178.9177.10111.6Q237 V238 Q244Q237-K240 PolarHBondContact O-N 3.11Å; V238-K240 VanDerWaalsContact C-N 3.35Å; V238-K240 PolarHBondContact O-N 2.97Å; K240-Q244 VanDerWaalsContact O-CB 3.26Å; K240-Q244 WeakPolarHBondContact O-CB 3.42Å; K240-Q244 PolarHBondContact O-N 3.21Å
241Y71.6Confident67.4Low157 Ų157105.9 Ų105.962%0.61655%0.554SS**Hα-helixtrans-65.8-38.8175.6-72.2-69.5000112.5Q237 V238 L245Q237-Y241 WeakPolarHBondContact O-CD2 3.35Å; Q237-Y241 PolarHBondContact O-N 3.36Å; V238-Y241 PolarHBondContact O-N 3.46Å; Y241-L245 WeakPolarHBondContact O-CB 3.03Å; Y241-L245 PolarHBondContact O-N 2.92Å
242L75.7Confident69.7Low98 Ų98104 Ų10451%0.51354%0.542SS..Hα-helixtrans-67.4-43.8179-14687.6000111.6V238 Q239 L245 W246V238-L242 PolarHBondContact O-N 3.29Å; Q239-L242 PolarHBondContact O-N 2.86Å; L242-L245 VanDerWaalsContact O-CB 3.3Å; L242-L245 WeakPolarHBondContact O-CB 3.46Å; L242-L245 PolarHBondContact O-N 3.27Å; L242-W246 PolarHBondContact O-N 2.98Å
243Q71.6Confident72.1Confident96 Ų96103.2 Ų103.245%0.44953%0.529SS..Hα-helixtrans-62.6-46176.5-170.665.122.600110.8Q239 L245 W246 D247Q239-Q243 WeakPolarHBondContact O-CB 3.3Å; Q239-Q243 PolarHBondContact O-N 3.44Å; Q243-L245 PolarHBondContact O-N 3.07Å; Q243-W246 PolarHBondContact O-N 2.93Å; Q243-W246 VanDerWaalsContact O-N 3.11Å; Q243-D247 VanDerWaalsContact O-CG 3.31Å; Q243-D247 PolarHBondContact O-N 3.34Å
244Q78.6Confident74.4Confident126 Ų126101.3 Ų101.359%0.58952%0.523SS*.Hα-helixtrans-61.7-34.2176.4-167.5167.5-14.300111.8K240 T248K240-Q244 VanDerWaalsContact O-CB 3.26Å; K240-Q244 WeakPolarHBondContact O-CB 3.42Å; K240-Q244 PolarHBondContact O-N 3.21Å; Q244-T248 VanDerWaalsContact O-CG2 3.24Å; Q244-T248 WeakPolarHBondContact O-CG2 3.26Å; Q244-T248 PolarHBondContact O-N 3.37Å; Q244-T248 VanDerWaalsContact O-N 3.07Å; Q244-T248 PolarHBondContact O-OG1 2.95Å
245L86.8Confident76.6Confident105 Ų105101.9 Ų101.955%0.5552%0.519SS..Hα-helixtrans-63.9-49.4172-119.6160.9000111.5Y241 L242 Q243 D247 T248 V249Y241-L245 WeakPolarHBondContact O-CB 3.03Å; Y241-L245 PolarHBondContact O-N 2.92Å; L242-L245 VanDerWaalsContact O-CB 3.3Å; L242-L245 WeakPolarHBondContact O-CB 3.46Å; L242-L245 PolarHBondContact O-N 3.27Å; Q243-L245 PolarHBondContact O-N 3.07Å; L245-D247 VanDerWaalsContact C-N 3.34Å; L245-D247 PolarHBondContact O-N 3.11Å; L245-T248 PolarHBondContact O-N 2.9Å; L245-T248 PolarHBondContact O-OG1 3.37Å; L245-V249 WeakPolarHBondContact O-CG2 3.48Å; L245-V249 PolarHBondContact O-N 3.34Å
246W79.8Confident78.9Confident152 Ų152101.5 Ų101.558%0.57652%0.516SS*.Hα-helixtrans-62.6-39.4178.2-81.5108.6000113.1L242 Q243 T248 V249 L250L242-W246 PolarHBondContact O-N 2.98Å; Q243-W246 PolarHBondContact O-N 2.93Å; Q243-W246 VanDerWaalsContact O-N 3.11Å; W246-T248 VanDerWaalsContact C-N 3.32Å; W246-T248 PolarHBondContact O-N 2.95Å; W246-V249 PolarHBondContact O-N 2.99Å; W246-L250 WeakPolarHBondContact O-CB 3.25Å; W246-L250 PolarHBondContact O-N 2.9Å
247D76.6Confident80.6Confident83 Ų83103.2 Ų103.244%0.44453%0.527SS..Hα-helixtrans-63-40.4175.5-68.9-20.3000111Q243 L245 L250 L251Q243-D247 VanDerWaalsContact O-CG 3.31Å; Q243-D247 PolarHBondContact O-N 3.34Å; L245-D247 VanDerWaalsContact C-N 3.34Å; L245-D247 PolarHBondContact O-N 3.11Å; D247-L250 PolarHBondContact O-N 3.38Å; D247-L251 VanDerWaalsContact O-CB 3.26Å; D247-L251 WeakPolarHBondContact O-CB 3.24Å; D247-L251 PolarHBondContact O-N 2.87Å
248T89.9Confident82.2Confident74 Ų7499.8 Ų99.845%0.45452%0.516SS..Hα-helixtrans-66.7-38.7174.761.30000112.4Q244 L245 W246 L251 V252Q244-T248 VanDerWaalsContact O-CG2 3.24Å; Q244-T248 WeakPolarHBondContact O-CG2 3.26Å; Q244-T248 PolarHBondContact O-N 3.37Å; Q244-T248 VanDerWaalsContact O-N 3.07Å; Q244-T248 PolarHBondContact O-OG1 2.95Å; L245-T248 PolarHBondContact O-N 2.9Å; L245-T248 PolarHBondContact O-OG1 3.37Å; W246-T248 VanDerWaalsContact C-N 3.32Å; W246-T248 PolarHBondContact O-N 2.95Å; T248-L251 PolarHBondContact O-N 2.92Å; T248-V252 VanDerWaalsContact O-CG2 3.28Å; T248-V252 WeakPolarHBondContact O-CG2 3.26Å; T248-V252 PolarHBondContact O-N 3.25Å
249V93.1Very high83.7Confident72 Ų7296.6 Ų96.644%0.43650%0.504SS..Hα-helixtrans-64.3-45.3176.2170.50000110.8L245 W246 V252 A253L245-V249 WeakPolarHBondContact O-CG2 3.48Å; L245-V249 PolarHBondContact O-N 3.34Å; W246-V249 PolarHBondContact O-N 2.99Å; V249-V252 PolarHBondContact O-N 3.43Å; V249-A253 WeakPolarHBondContact O-CB 3.38Å; V249-A253 PolarHBondContact O-N 3.41Å
250L89Confident85.3Confident103 Ų10397.3 Ų97.354%0.53951%0.514SS..Hα-helixtrans-61.9-43.9175.6-85.2166.4000111.6W246 D247 V252 A253 L254W246-L250 WeakPolarHBondContact O-CB 3.25Å; W246-L250 PolarHBondContact O-N 2.9Å; D247-L250 PolarHBondContact O-N 3.38Å; L250-V252 PolarHBondContact O-N 3.27Å; L250-A253 PolarHBondContact O-N 2.95Å; L250-L254 WeakPolarHBondContact O-CG 3.41Å; L250-L254 PolarHBondContact O-N 3.2Å
251L91.3Very high86.4Confident105 Ų10595.4 Ų95.455%0.5551%0.509SS..Hα-helixtrans-63.2-43.4178.6-173.3141.9000111.7D247 T248 L254 I255D247-L251 VanDerWaalsContact O-CB 3.26Å; D247-L251 WeakPolarHBondContact O-CB 3.24Å; D247-L251 PolarHBondContact O-N 2.87Å; T248-L251 PolarHBondContact O-N 2.92Å; L251-L254 PolarHBondContact O-N 2.92Å; L251-I255 HydrophobicContact CD2-CD1 3.55Å; L251-I255 HydrophobicContact CD2-CG1 4.49Å; L251-I255 HydrophobicContact CG-CD1 4.4Å; L251-I255 VanDerWaalsContact O-CG1 3.3Å; L251-I255 WeakPolarHBondContact O-CG1 3.32Å; L251-I255 PolarHBondContact O-N 3.5Å
252V94.4Very high87.1Confident79 Ų7991.7 Ų91.748%0.47950%0.503SS..Hα-helixtrans-64-43.2174.8172.20000111T248 V249 L250 L254 I255 L256T248-V252 VanDerWaalsContact O-CG2 3.28Å; T248-V252 WeakPolarHBondContact O-CG2 3.26Å; T248-V252 PolarHBondContact O-N 3.25Å; V249-V252 PolarHBondContact O-N 3.43Å; L250-V252 PolarHBondContact O-N 3.27Å; V252-L254 VanDerWaalsContact C-N 3.34Å; V252-L254 PolarHBondContact O-N 2.96Å; V252-I255 PolarHBondContact O-N 2.94Å; V252-L256 HydrophobicContact CG1-CD1 4.16Å; V252-L256 HydrophobicContact CG1-CG 4.46Å; V252-L256 WeakPolarHBondContact O-CG 3.39Å; V252-L256 PolarHBondContact O-N 3.5Å
253A93.1Very high87.3Confident44 Ų4493 Ų9336%0.36451%0.507SS..Hα-helixtrans-60.9-41.9177.100000111.9V249 L250 L256 C257V249-A253 WeakPolarHBondContact O-CB 3.38Å; V249-A253 PolarHBondContact O-N 3.41Å; L250-A253 PolarHBondContact O-N 2.95Å; A253-L256 PolarHBondContact O-N 2.68Å; A253-C257 WeakPolarHBondContact O-CB 3.35Å; A253-C257 PolarHBondContact O-N 2.94Å; A253-C257 PolarHBondContact O-SG 3.13Å
254L92.1Very high87.5Confident111 Ų11191 Ų9158%0.58151%0.506SS*.Hα-helixtrans-65.1-40.6175.4-71.2175.7000112.3L250 L251 V252 L256 C257 T258L250-L254 WeakPolarHBondContact O-CG 3.41Å; L250-L254 PolarHBondContact O-N 3.2Å; L251-L254 PolarHBondContact O-N 2.92Å; V252-L254 VanDerWaalsContact C-N 3.34Å; V252-L254 PolarHBondContact O-N 2.96Å; L254-L256 VanDerWaalsContact C-N 3.34Å; L254-L256 PolarHBondContact O-N 2.86Å; L254-C257 PolarHBondContact O-N 3.39Å; L254-T258 WeakPolarHBondContact O-CB 3.36Å; L254-T258 WeakPolarHBondContact O-CG2 3.32Å; L254-T258 PolarHBondContact O-N 3.42Å; L254-T258 PolarHBondContact O-OG1 2.75Å
255I93.7Very high87.5Confident101 Ų10193.8 Ų93.852%0.51851%0.511SS..Hα-helixtrans-62.3-42.5174.7-69.3170.2000110.8L251 V252 T258 G259L251-I255 HydrophobicContact CD2-CD1 3.55Å; L251-I255 HydrophobicContact CD2-CG1 4.49Å; L251-I255 HydrophobicContact CG-CD1 4.4Å; L251-I255 VanDerWaalsContact O-CG1 3.3Å; L251-I255 WeakPolarHBondContact O-CG1 3.32Å; L251-I255 PolarHBondContact O-N 3.5Å; V252-I255 PolarHBondContact O-N 2.94Å; I255-T258 WeakPolarHBondContact CA-OG1 3.46Å; I255-T258 PolarHBondContact O-OG1 3.07Å; I255-G259 PolarHBondContact O-N 3.16Å
256L93.6Very high86.8Confident113 Ų11398.1 Ų98.159%0.59252%0.521SS*.Hα-helixtrans-66.9-42.6176.7-67.6175.7000111.8V252 A253 L254 G259 V260V252-L256 HydrophobicContact CG1-CD1 4.16Å; V252-L256 HydrophobicContact CG1-CG 4.46Å; V252-L256 WeakPolarHBondContact O-CG 3.39Å; V252-L256 PolarHBondContact O-N 3.5Å; A253-L256 PolarHBondContact O-N 2.68Å; L254-L256 VanDerWaalsContact C-N 3.34Å; L254-L256 PolarHBondContact O-N 2.86Å; L256-G259 PolarHBondContact O-N 2.99Å; L256-V260 WeakPolarHBondContact O-CG2 3.28Å; L256-V260 PolarHBondContact O-N 3.31Å
257C89.7Confident86.3Confident74 Ų7497.2 Ų97.250%0.552%0.523SS..Hα-helixtrans-62.2-45.5176.9-69.10000111.7A253 L254 G259 V260 I261A253-C257 WeakPolarHBondContact O-CB 3.35Å; A253-C257 PolarHBondContact O-N 2.94Å; A253-C257 PolarHBondContact O-SG 3.13Å; L254-C257 PolarHBondContact O-N 3.39Å; C257-G259 VanDerWaalsContact C-N 3.34Å; C257-V260 PolarHBondContact O-N 2.71Å; C257-I261 WeakPolarHBondContact O-CD1 3.12Å; C257-I261 VanDerWaalsContact O-CG1 3.25Å; C257-I261 WeakPolarHBondContact O-CG1 3.46Å; C257-I261 PolarHBondContact O-N 3.01Å
258T88.6Confident85.7Confident79 Ų79101.5 Ų101.549%0.48553%0.534SS..Hα-helixtrans-65.3-37.8175.553.60000111.9L254 I255 I261 V262L254-T258 WeakPolarHBondContact O-CB 3.36Å; L254-T258 WeakPolarHBondContact O-CG2 3.32Å; L254-T258 PolarHBondContact O-N 3.42Å; L254-T258 PolarHBondContact O-OG1 2.75Å; I255-T258 WeakPolarHBondContact CA-OG1 3.46Å; I255-T258 PolarHBondContact O-OG1 3.07Å; T258-I261 PolarHBondContact O-N 3.28Å; T258-V262 WeakPolarHBondContact O-CB 3.45Å; T258-V262 VanDerWaalsContact O-CG2 3.26Å; T258-V262 WeakPolarHBondContact O-CG2 3.43Å; T258-V262 PolarHBondContact O-N 2.89Å
259G89.8Confident84.4Confident37 Ų37103.4 Ų103.438%0.38154%0.538SS..Hα-helixtrans-58.2-46.6172.600000112.6I255 L256 C257 V262 Q263I255-G259 PolarHBondContact O-N 3.16Å; L256-G259 PolarHBondContact O-N 2.99Å; C257-G259 VanDerWaalsContact C-N 3.34Å; G259-V262 PolarHBondContact O-N 3.01Å; G259-Q263 WeakPolarHBondContact O-CB 3.3Å; G259-Q263 PolarHBondContact O-N 2.85Å
260V90.3Very high82.8Confident97 Ų97105 Ų10559%0.58854%0.544SS*.Hα-helixtrans-64.7-41176.9173.10000111.5L256 C257 Q263 A264L256-V260 WeakPolarHBondContact O-CG2 3.28Å; L256-V260 PolarHBondContact O-N 3.31Å; C257-V260 PolarHBondContact O-N 2.71Å; V260-Q263 PolarHBondContact O-N 3.24Å; V260-A264 VanDerWaalsContact O-CB 3.29Å; V260-A264 WeakPolarHBondContact O-CB 3.48Å; V260-A264 PolarHBondContact O-N 3.31Å
261I85.8Confident81.4Confident97 Ų97106 Ų10650%0.49755%0.549SS..Hα-helixtrans-64.4-41.7176.7-66.9163.4000111C257 T258 R265C257-I261 WeakPolarHBondContact O-CD1 3.12Å; C257-I261 VanDerWaalsContact O-CG1 3.25Å; C257-I261 WeakPolarHBondContact O-CG1 3.46Å; C257-I261 PolarHBondContact O-N 3.01Å; T258-I261 PolarHBondContact O-N 3.28Å; I261-R265 WeakPolarHBondContact O-CB 3.29Å; I261-R265 WeakPolarHBondContact O-CG 3.48Å; I261-R265 PolarHBondContact O-N 2.93Å
262V85.2Confident79.9Confident80 Ų80104.1 Ų104.149%0.48554%0.54SS..Hα-helixtrans-65.8-43.5176.8171.60000110.4T258 G259 R265 W266T258-V262 WeakPolarHBondContact O-CB 3.45Å; T258-V262 VanDerWaalsContact O-CG2 3.26Å; T258-V262 WeakPolarHBondContact O-CG2 3.43Å; T258-V262 PolarHBondContact O-N 2.89Å; G259-V262 PolarHBondContact O-N 3.01Å; V262-R265 PolarHBondContact O-N 3.26Å; V262-W266 WeakPolarHBondContact O-CB 3.3Å; V262-W266 VanDerWaalsContact O-CD1 3.25Å; V262-W266 PolarHBondContact O-N 2.81Å
263Q80.5Confident78.3Confident126 Ų126103.6 Ų103.659%0.58954%0.535SS*.Hα-helixtrans-64.2-41.9177.6-170.4171.5-8.200112.1G259 V260 R265 W266 Q267G259-Q263 WeakPolarHBondContact O-CB 3.3Å; G259-Q263 PolarHBondContact O-N 2.85Å; V260-Q263 PolarHBondContact O-N 3.24Å; Q263-R265 PolarHBondContact O-N 3.37Å; Q263-W266 PolarHBondContact O-N 3.43Å; Q263-Q267 PolarHBondContact O-N 3.24Å
264A76.9Confident76.7Confident52 Ų52105.6 Ų105.643%0.4354%0.539SS..Hα-helixtrans-63.7-39.7174.800000112.1V260 Y268V260-A264 VanDerWaalsContact O-CB 3.29Å; V260-A264 WeakPolarHBondContact O-CB 3.48Å; V260-A264 PolarHBondContact O-N 3.31Å; A264-Y268 WeakPolarHBondContact O-CB 3.38Å; A264-Y268 PolarHBondContact O-N 3.37Å
265R78.1Confident75.1Confident185 Ų185106.2 Ų106.270%0.69854%0.542SS*.Hα-helixtrans-67.2-38.9174.4-77.8-174.2173.9-162.9-0.7112.6I261 V262 Q263 Y268 Q269I261-R265 WeakPolarHBondContact O-CB 3.29Å; I261-R265 WeakPolarHBondContact O-CG 3.48Å; I261-R265 PolarHBondContact O-N 2.93Å; V262-R265 PolarHBondContact O-N 3.26Å; Q263-R265 PolarHBondContact O-N 3.37Å; R265-Y268 PolarHBondContact O-N 3.31Å; R265-Q269 VanDerWaalsContact O-CB 3.29Å; R265-Q269 WeakPolarHBondContact O-CB 3.37Å; R265-Q269 PolarHBondContact O-N 2.92Å
266W71.5Confident73.4Confident197 Ų197105.9 Ų105.975%0.74654%0.539SS*.Hα-helixtrans-63.6-46175.6-92.265.3000111.8V262 Q263 Y268 Q269 D270V262-W266 WeakPolarHBondContact O-CB 3.3Å; V262-W266 VanDerWaalsContact O-CD1 3.25Å; V262-W266 PolarHBondContact O-N 2.81Å; Q263-W266 PolarHBondContact O-N 3.43Å; W266-Y268 PolarHBondContact O-N 3.37Å; W266-Q269 PolarHBondContact O-N 2.93Å; W266-D270 PolarHBondContact O-N 3.11Å
267Q70.3Confident71.7Confident133 Ų133105.3 Ų105.362%0.62154%0.536SS*.Hα-helixtrans-62-42.6175.3-94.3176.6-43.900112.4Q263 Q269 D270 D271Q263-Q267 PolarHBondContact O-N 3.24Å; Q267-Q269 PolarHBondContact O-N 2.85Å; Q267-D270 PolarHBondContact O-N 2.93Å; Q267-D271 PolarHBondContact O-N 3.45Å; Q267-D271 VanDerWaalsContact O-N 3.15Å
268Y63.7Low70.3Confident173 Ų173107.3 Ų107.368%0.67854%0.541SS*.Hα-helixtrans-64.4-39.8177.1-176.8-95.5000112.8A264 R265 W266 N272A264-Y268 WeakPolarHBondContact O-CB 3.38Å; A264-Y268 PolarHBondContact O-N 3.37Å; R265-Y268 PolarHBondContact O-N 3.31Å; W266-Y268 PolarHBondContact O-N 3.37Å; Y268-N272 WeakPolarHBondContact O-CB 3.44Å; Y268-N272 PolarHBondContact O-N 3.19Å; Y268-N272 VanDerWaalsContact O-N 3.11Å
269Q61.8Low68.9Low114 Ų114106.4 Ų106.453%0.53354%0.536SS..Hα-helixtrans-64.6-45.8177.6-173.189.62600111.2R265 W266 Q267 N272 D273R265-Q269 VanDerWaalsContact O-CB 3.29Å; R265-Q269 WeakPolarHBondContact O-CB 3.37Å; R265-Q269 PolarHBondContact O-N 2.92Å; W266-Q269 PolarHBondContact O-N 2.93Å; Q267-Q269 PolarHBondContact O-N 2.85Å; Q269-N272 PolarHBondContact O-N 2.87Å; Q269-D273 PolarHBondContact NE2-OD2 3.37Å; Q269-D273 WeakPolarHBondContact O-CB 3.17Å; Q269-D273 PolarHBondContact O-N 3.29Å
270D60.1Low67.7Low106 Ų106109.9 Ų109.957%0.56754%0.541SS*.Hα-helixtrans-67.5-38.2-177.2-162.738.7000112.6W266 Q267 N274W266-D270 PolarHBondContact O-N 3.11Å; Q267-D270 PolarHBondContact O-N 2.93Å; D270-N274 WeakPolarHBondContact O-CB 3.29Å; D270-N274 PolarHBondContact O-N 3.5Å; D270-N274 VanDerWaalsContact O-N 3.1Å; D270-N274 PolarHBondContact O-ND2 3.34Å; D270-N274 PolarHBondContact OD1-ND2 2.96Å
271D59.6Low66.7Low123 Ų123111.6 Ų111.666%0.65854%0.542SS*.Hα-helixtrans-66.9-41.5173.3-94.7-20.1000112Q267 L275Q267-D271 PolarHBondContact O-N 3.45Å; Q267-D271 VanDerWaalsContact O-N 3.15Å; D271-L275 WeakPolarHBondContact O-CB 3.48Å; D271-L275 PolarHBondContact O-N 3.49Å
272N59.4Low66.1Low65 Ų65112 Ų11235%0.34855%0.545SS..Hα-helixtrans-68.4-40.6179.1-172.563.9000112.3Y268 Q269 L275 E276Y268-N272 WeakPolarHBondContact O-CB 3.44Å; Y268-N272 PolarHBondContact O-N 3.19Å; Y268-N272 VanDerWaalsContact O-N 3.11Å; Q269-N272 PolarHBondContact O-N 2.87Å; N272-L275 PolarHBondContact O-N 2.87Å; N272-E276 WeakPolarHBondContact O-CB 3.41Å; N272-E276 PolarHBondContact O-N 3.33Å
273D60.8Low65.5Low69 Ų69108.3 Ų108.337%0.36952%0.523SS..Hα-helixtrans-68.9-39179.2-72.9-25.5000111.5Q269 L277Q269-D273 PolarHBondContact NE2-OD2 3.37Å; Q269-D273 WeakPolarHBondContact O-CB 3.17Å; Q269-D273 PolarHBondContact O-N 3.29Å; D273-L277 WeakPolarHBondContact O-CB 3.36Å; D273-L277 WeakPolarHBondContact O-CD1 3.44Å; D273-L277 VanDerWaalsContact O-CG 3.29Å; D273-L277 WeakPolarHBondContact O-CG 3.29Å; D273-L277 PolarHBondContact O-N 2.88Å
274N59Low65.4Low85 Ų85106.9 Ų106.946%0.45552%0.519SS..Hα-helixtrans-66.7-41.2173-85.3-69.6000112.5D270 E276 L277 L278D270-N274 WeakPolarHBondContact O-CB 3.29Å; D270-N274 PolarHBondContact O-N 3.5Å; D270-N274 VanDerWaalsContact O-N 3.1Å; D270-N274 PolarHBondContact O-ND2 3.34Å; D270-N274 PolarHBondContact OD1-ND2 2.96Å; N274-E276 VanDerWaalsContact C-N 3.35Å; N274-L277 PolarHBondContact O-N 3.28Å; N274-L278 PolarHBondContact O-N 3.08Å
275L59.3Low65.5Low124 Ų124111.8 Ų111.865%0.64953%0.531SS*.Hα-helixtrans-69.8-28.9178.9-171.163.4000112.8D271 N272 P279D271-L275 WeakPolarHBondContact O-CB 3.48Å; D271-L275 PolarHBondContact O-N 3.49Å; N272-L275 PolarHBondContact O-N 2.87Å; L275-P279 WeakPolarHBondContact O-CD 3.47Å; L275-P279 WeakPolarHBondContact O-CG 3.26Å
276E57.4Low65.6Low95 Ų95107.3 Ų107.344%0.44452%0.516SS..Hα-helixtrans-79.9-26.8174.1-89.1-153.2-179.300114.2N272 N274 K280N272-E276 WeakPolarHBondContact O-CB 3.41Å; N272-E276 PolarHBondContact O-N 3.33Å; N274-E276 VanDerWaalsContact C-N 3.35Å; E276-K280 WeakPolarHBondContact O-CD 3.47Å; E276-K280 WeakPolarHBondContact O-CG 3.46Å; E276-K280 IonicContact OE2-NZ 3.04Å; E276-K280 PolarHBondContact OE2-NZ 2.88Å
277L59.1Low66.1Low101 Ų10198.3 Ų98.353%0.52948%0.483SS..Hα-helixtrans-80.8-33.9-177.1-79.3166.6000113.4D273 N274D273-L277 WeakPolarHBondContact O-CB 3.36Å; D273-L277 WeakPolarHBondContact O-CD1 3.44Å; D273-L277 VanDerWaalsContact O-CG 3.29Å; D273-L277 WeakPolarHBondContact O-CG 3.29Å; D273-L277 PolarHBondContact O-N 2.88Å; N274-L277 PolarHBondContact O-N 3.28Å
278L58.3Low66.5Low115 Ų11596.4 Ų96.460%0.60248%0.484SS*.Hα-helixtrans-63.6-47.9179-82162.4000113.8N274 K280 Q281N274-L278 PolarHBondContact O-N 3.08Å; L278-K280 VanDerWaalsContact C-N 3.35Å; L278-K280 PolarHBondContact O-N 2.86Å; L278-Q281 PolarHBondContact O-N 2.92Å
279P60Low67.4Low60 Ų6092 Ų9239%0.3948%0.479SS..Hα-helixtrans-65.8-34.4-179.7-18.629.6000113.1L275 Q281 V283L275-P279 WeakPolarHBondContact O-CD 3.47Å; L275-P279 WeakPolarHBondContact O-CG 3.26Å; P279-Q281 PolarHBondContact O-N 3.26Å; P279-V283 WeakPolarHBondContact O-CB 3.36Å; P279-V283 WeakPolarHBondContact O-CG2 3.18Å; P279-V283 PolarHBondContact O-N 2.92Å; P279-V283 VanDerWaalsContact O-N 3.13Å
280K65.6Low68.4Low110 Ų11087.4 Ų87.448%0.47846%0.458SS..Hα-helixtrans-67.8-35.9-176.7-70.6173.4-172.5158.80111.7E276 L278 L284E276-K280 WeakPolarHBondContact O-CD 3.47Å; E276-K280 WeakPolarHBondContact O-CG 3.46Å; E276-K280 IonicContact OE2-NZ 3.04Å; E276-K280 PolarHBondContact OE2-NZ 2.88Å; L278-K280 VanDerWaalsContact C-N 3.35Å; L278-K280 PolarHBondContact O-N 2.86Å; K280-L284 WeakPolarHBondContact O-CB 3.29Å; K280-L284 WeakPolarHBondContact O-CD1 3.19Å; K280-L284 VanDerWaalsContact O-CG 3.25Å; K280-L284 WeakPolarHBondContact O-CG 3.33Å; K280-L284 PolarHBondContact O-N 3.5Å; K280-L284 VanDerWaalsContact O-N 3.09Å
281Q69.5Low69.6Low133 Ų13389.9 Ų89.962%0.62146%0.463SS*.Hα-helixtrans-69.8-42.7177.6-69.9-172.14100112.5L278 P279 V283 L284 K285L278-Q281 PolarHBondContact O-N 2.92Å; P279-Q281 PolarHBondContact O-N 3.26Å; Q281-V283 VanDerWaalsContact C-N 3.34Å; Q281-V283 PolarHBondContact O-N 3.42Å; Q281-L284 PolarHBondContact O-N 2.86Å; Q281-K285 WeakPolarHBondContact O-CB 3.36Å; Q281-K285 PolarHBondContact O-N 3.35Å
282D71.3Confident70.9Confident105 Ų10587.9 Ų87.956%0.56146%0.456SS*.Hα-helixtrans-65.3-39.1178.9-74.4-25.8000112K285 K286D282-K285 PolarHBondContact O-N 3.2Å; D282-K286 WeakPolarHBondContact O-CB 3.48Å; D282-K286 PolarHBondContact O-N 3.43Å
283V73.6Confident72.1Confident4 Ų489.3 Ų89.32%0.02446%0.459CS..Hα-helixtrans-65.2-46.5175.7173.80000110.9P279 Q281 K285 K286 M287 H348 L358P279-V283 WeakPolarHBondContact O-CB 3.36Å; P279-V283 WeakPolarHBondContact O-CG2 3.18Å; P279-V283 PolarHBondContact O-N 2.92Å; P279-V283 VanDerWaalsContact O-N 3.13Å; Q281-V283 VanDerWaalsContact C-N 3.34Å; Q281-V283 PolarHBondContact O-N 3.42Å; V283-K285 VanDerWaalsContact C-N 3.34Å; V283-K285 PolarHBondContact O-N 3.28Å; V283-K286 PolarHBondContact O-N 2.78Å; V283-M287 HydrophobicContact CG1-CG 4.24Å; V283-M287 HydrophobicContact CG1-SD 3.76Å; V283-M287 WeakPolarHBondContact O-CB 3.46Å; V283-M287 WeakPolarHBondContact O-CG 3.21Å; V283-M287 PolarHBondContact O-N 3.44Å; V283-H348 WeakPolarHBondContact CG2-CE1 3.02Å; V283-H348 WeakPolarHBondContact CG2-ND1 3.49Å; V283-L358 HydrophobicContact CG2-CD1 4.18Å; V283-L358 HydrophobicContact CG2-CD2 4.2Å
284L77.8Confident73.2Confident96 Ų9690 Ų9050%0.50347%0.465SS..Hα-helixtrans-60.9-42.1177.2-76.1169.4000112.2K280 Q281 M287 S288 L345K280-L284 WeakPolarHBondContact O-CB 3.29Å; K280-L284 WeakPolarHBondContact O-CD1 3.19Å; K280-L284 VanDerWaalsContact O-CG 3.25Å; K280-L284 WeakPolarHBondContact O-CG 3.33Å; K280-L284 PolarHBondContact O-N 3.5Å; K280-L284 VanDerWaalsContact O-N 3.09Å; Q281-L284 PolarHBondContact O-N 2.86Å; L284-M287 PolarHBondContact O-N 3.07Å; L284-S288 PolarHBondContact O-N 2.77Å; L284-S288 PolarHBondContact O-OG 3.19Å; L284-L345 HydrophobicContact CD2-CD2 3.56Å; L284-L345 HydrophobicContact CG-CD2 4.25Å
285K80.1Confident74.4Confident155 Ų15587 Ų8767%0.67445%0.448SS*.Hα-helixtrans-65.6-38.5176-170.3177.4-177.7-179.90111.8Q281 D282 V283 S288 S289Q281-K285 WeakPolarHBondContact O-CB 3.36Å; Q281-K285 PolarHBondContact O-N 3.35Å; D282-K285 PolarHBondContact O-N 3.2Å; V283-K285 VanDerWaalsContact C-N 3.34Å; V283-K285 PolarHBondContact O-N 3.28Å; K285-S288 PolarHBondContact O-OG 3.35Å; K285-S289 PolarHBondContact O-N 2.87Å
286K80.3Confident75.3Confident90 Ų9090.4 Ų90.439%0.39145%0.452SS..Hα-helixtrans-69.4-42.1175.5-165.170.3172.6-172.90111.4D282 V283 S289 L290 I357 L358D282-K286 WeakPolarHBondContact O-CB 3.48Å; D282-K286 PolarHBondContact O-N 3.43Å; V283-K286 PolarHBondContact O-N 2.78Å; K286-S289 PolarHBondContact O-N 2.9Å; K286-S289 VanDerWaalsContact O-N 3.15Å; K286-S289 PolarHBondContact O-OG 3.28Å; K286-L290 PolarHBondContact O-N 3.33Å; K286-I357 WeakPolarHBondContact CE-O 3.46Å; K286-L358 HydrophobicContact CB-CD2 4.08Å; K286-L358 HydrophobicContact CG-CD2 4.12Å
287M80.6Confident76Confident9 Ų993.4 Ų93.44%0.04446%0.46CS..Hα-helixtrans-61.2-44.2176.5-73.217664.700111.3V283 L284 S289 L290 R327 D341 L344 L345 I357V283-M287 HydrophobicContact CG1-CG 4.24Å; V283-M287 HydrophobicContact CG1-SD 3.76Å; V283-M287 WeakPolarHBondContact O-CB 3.46Å; V283-M287 WeakPolarHBondContact O-CG 3.21Å; V283-M287 PolarHBondContact O-N 3.44Å; L284-M287 PolarHBondContact O-N 3.07Å; M287-S289 PolarHBondContact O-N 2.79Å; M287-L290 PolarHBondContact O-N 3.37Å; M287-R327 PolarHBondContact O-NH1 3.07Å; M287-D341 HydrophobicContact CE-CB 4.04Å; M287-D341 VanDerWaalsContact CE-O 3.31Å; M287-D341 WeakPolarHBondContact CE-O 3.14Å; M287-L344 HydrophobicContact CE-CB 3.64Å; M287-L344 HydrophobicContact CE-CD1 4.48Å; M287-L344 HydrophobicContact CG-CB 4.24Å; M287-L344 HydrophobicContact SD-CB 3.81Å; M287-L345 HydrophobicContact CE-CD2 4.18Å; M287-L345 HydrophobicContact CE-CG 4Å; M287-L345 HydrophobicContact SD-CD2 3.72Å; M287-L345 HydrophobicContact SD-CG 4.04Å; M287-I357 HydrophobicContact CG-CD1 3.8Å
288S78.9Confident76.4Confident93 Ų9392.8 Ų92.865%0.6546%0.461SS*.Hα-helixtrans-63.9-25.917766.20000113.3L284 K285L284-S288 PolarHBondContact O-N 2.77Å; L284-S288 PolarHBondContact O-OG 3.19Å; K285-S288 PolarHBondContact O-OG 3.35Å
289S82.3Confident76.5Confident80 Ų8097.2 Ų97.256%0.55948%0.476SS*.THydrogen-bonded Turntrans-81.1-8176.976.70000115.5K285 K286 M287K285-S289 PolarHBondContact O-N 2.87Å; K286-S289 PolarHBondContact O-N 2.9Å; K286-S289 VanDerWaalsContact O-N 3.15Å; K286-S289 PolarHBondContact O-OG 3.28Å; M287-S289 PolarHBondContact O-N 2.79Å
290L84.2Confident76.4Confident18 Ų18104.3 Ų104.39%0.09450%0.495CS..SBendtrans-71.9144-179.5-67.5173.8000111.6K286 M287 T292 R327 P330 L344 I357K286-L290 PolarHBondContact O-N 3.33Å; M287-L290 PolarHBondContact O-N 3.37Å; L290-T292 PolarHBondContact O-N 3.08Å; L290-R327 HydrophobicContact CB-CG 4.3Å; L290-P330 HydrophobicContact CD2-CG 3.86Å; L290-L344 HydrophobicContact CD1-CD1 3.95Å; L290-I357 HydrophobicContact CD1-CD1 4.26Å
291K84.9Confident76Confident157 Ų157111 Ų11168%0.68352%0.517SS*.  trans-64.2130.4-178.2-171.4173.4-176.6177.60110.8V328K291-V328 HydrophobicContact CB-CB 4.47Å; K291-V328 PolarHBondContact O-N 2.61Å
292T86.4Confident75.4Confident82 Ų82110.6 Ų110.650%0.50353%0.527SS..EExtended strand (participates in β ladder)trans-110.9145.7170.1540000110.3L290 L326L290-T292 PolarHBondContact O-N 3.08Å; T292-L326 CarbonylContact C-O 3.59Å; T292-L326 VanDerWaalsContact CA-O 3.26Å; T292-L326 WeakPolarHBondContact CA-O 3.39Å
293K84.1Confident74.6Confident95 Ų95111 Ų11141%0.41353%0.529SS..EExtended strand (participates in β ladder)trans-137134.8-178.3175.7-177.3165.8-159.60108L326 V328 E334K293-L326 PolarHBondContact N-O 2.76Å; K293-L326 WeakPolarHBondContact O-CA 3.34Å; K293-L326 PolarHBondContact O-N 3.18Å; K293-V328 HydrophobicContact CB-CG2 4.34Å; K293-E334 IonicContact NZ-OE1 3.74Å; K293-E334 PolarHBondContact NZ-OE1 3.34Å; K293-E334 IonicContact NZ-OE2 2.61Å
294T85.5Confident73.6Confident82 Ų82115.7 Ų115.750%0.50356%0.56SS.*EExtended strand (participates in β ladder)trans-85.1126.3171.249.60000109.1R296 Q324T294-R296 PolarHBondContact O-N 3.36Å; T294-Q324 WeakPolarHBondContact CA-O 3.48Å
295Y82.3Confident72.5Confident23 Ų23115.4 Ų115.49%0.0957%0.566CS.*  trans-73.1128.1178.1-174.6-103.6000110.2R297 F320 N321 N323 Q324 L326Y295-R297 HydrophobicContact CE1-CB 4.12Å; Y295-F320 HydrophobicContact CD1-CB 3.69Å; Y295-F320 HydrophobicContact CD2-CB 3.92Å; Y295-F320 HydrophobicContact CD2-CD2 4.44Å; Y295-F320 HydrophobicContact CD2-CG 4.49Å; Y295-F320 HydrophobicContact CE1-CB 3.81Å; Y295-F320 WeakPolarHBondContact CE1-O 3.47Å; Y295-F320 HydrophobicContact CE2-CB 4.08Å; Y295-F320 HydrophobicContact CE2-CD2 4.44Å; Y295-F320 HydrophobicContact CG-CB 3.73Å; Y295-N321 WeakPolarHBondContact CD1-O 3.21Å; Y295-N323 PolarHBondContact O-N 3.35Å; Y295-Q324 PolarHBondContact N-O 3.36Å; Y295-L326 HydrophobicContact CD2-CD1 4.06Å; Y295-L326 HydrophobicContact CG-CD1 4.32Å
296R79Confident71.1Confident195 Ų195115.6 Ų115.674%0.73657%0.57SS**  trans-125.8115.9169.4-70.9-169.7179.8-165.50.9107.7T294T294-R296 PolarHBondContact O-N 3.36Å
297R73.1Confident69.5Low159 Ų159118.9 Ų118.960%0.659%0.586SS**PPolyproline II helixtrans-59.3127.6177.8-171.1178.1-174.3174.26109.4Y295 N322Y295-R297 HydrophobicContact CE1-CB 4.12Å; R297-N322 WeakPolarHBondContact CA-OD1 3.42Å; R297-N322 WeakPolarHBondContact CB-OD1 3.32Å; R297-N322 PolarHBondContact N-OD1 3.11Å
298P67.3Low68Low87 Ų87122.1 Ų122.157%0.56561%0.607SS**PPolyproline II helixtrans-62.6143.8175.222.2-29.3000110.8R300P298-R300 PolarHBondContact O-N 3.48Å
299K59.1Low66.8Low209 Ų209126.5 Ų126.591%0.90962%0.617SS**PPolyproline II helixtrans-64.8128.5178.5-136.9173.6-173.8-1790108.3W301K299-W301 VanDerWaalsContact C-N 3.32Å; K299-W301 PolarHBondContact O-N 3.48Å
300R59.3Low65.8Low209 Ų209127.8 Ų127.879%0.78962%0.622SS**SBendtrans-6871.1-162.3-158-175.6-160.8-151.65.6114.3P298P298-R300 PolarHBondContact O-N 3.48Å
301W56.9Low65.1Low251 Ų251130.4 Ų130.495%0.95163%0.633SS**  trans-122.357.9167.8-99.557.2000109.3K299K299-W301 VanDerWaalsContact C-N 3.32Å; K299-W301 PolarHBondContact O-N 3.48Å
302C56Low65.1Low123 Ų123126.6 Ų126.683%0.83162%0.621SS**SBendtrans-153.2145.9166.9-89.90000109.7
303D54Low65.1Low113 Ų113122.7 Ų122.760%0.60460%0.597SS**  trans-52.2135.7-175-166.5-42.4000112.9S305D303-S305 PolarHBondContact O-N 3.07Å; D303-S305 WeakPolarHBondContact OD1-CB 3.5Å; D303-S305 PolarHBondContact OD1-N 3.21Å; D303-S305 VanDerWaalsContact OD1-N 3.13Å; D303-S305 PolarHBondContact OD1-OG 3.17Å
304P53.9Low65.2Low104 Ų104120.1 Ų120.168%0.67559%0.593SS**THydrogen-bonded Turntrans-59.8-10.5178.9-21.431.8000115.8
305S53.8Low65.3Low90 Ų90119 Ų11963%0.62959%0.586SS**THydrogen-bonded Turntrans-84.8-3.2-173.755.90000115.8D303D303-S305 PolarHBondContact O-N 3.07Å; D303-S305 WeakPolarHBondContact OD1-CB 3.5Å; D303-S305 PolarHBondContact OD1-N 3.21Å; D303-S305 VanDerWaalsContact OD1-N 3.13Å; D303-S305 PolarHBondContact OD1-OG 3.17Å
306Q50.4Low65.6Low159 Ų159120.1 Ų120.174%0.74360%0.596SS**  trans-118.747.2177.7-66.1-171.19.300113.6T308Q306-T308 PolarHBondContact O-N 2.87Å
307Q47.7Very low66Low158 Ų158117.3 Ų117.374%0.73860%0.595SS**  trans-71.581164.2-72.1176.933.800108.8
308T48Very low66.6Low78 Ų78115 Ų11548%0.47959%0.591SS.*  trans-61.5134.317342.40000109.8Q306 T310 E311Q306-T308 PolarHBondContact O-N 2.87Å; T308-T310 VanDerWaalsContact CB-OG1 3.29Å; T308-T310 WeakPolarHBondContact CB-OG1 3.42Å; T308-T310 PolarHBondContact O-N 3.06Å; T308-T310 PolarHBondContact OG1-OG1 2.95Å; T308-T310 VanDerWaalsContact OG1-OG1 3.08Å; T308-E311 PolarHBondContact O-N 3.41Å
309E54.2Low67.5Low185 Ų185114.3 Ų114.386%0.86459%0.587SS**G310 helixtrans-50.5-9.2178.7-62.4174.116600115E311E309-E311 VanDerWaalsContact C-N 3.25Å; E309-E311 PolarHBondContact O-N 2.95Å
310T60.7Low68.7Low107 Ų107104.9 Ų104.966%0.65655%0.546SS*.G310 helixtrans-69.9-5172.932.40000115.8T308 F320T308-T310 VanDerWaalsContact CB-OG1 3.29Å; T308-T310 WeakPolarHBondContact CB-OG1 3.42Å; T308-T310 PolarHBondContact O-N 3.06Å; T308-T310 PolarHBondContact OG1-OG1 2.95Å; T308-T310 VanDerWaalsContact OG1-OG1 3.08Å; T310-F320 WeakPolarHBondContact O-CE2 3.2Å
311E70.8Confident69.8Low72 Ų7299.2 Ų99.234%0.33653%0.531SS..G310 helixtrans-95.70.9177.9-62.7-166.9169.600114.5T308 E309 F320T308-E311 PolarHBondContact O-N 3.41Å; E309-E311 VanDerWaalsContact C-N 3.25Å; E309-E311 PolarHBondContact O-N 2.95Å; E311-F320 WeakPolarHBondContact O-CD2 2.89Å; E311-F320 WeakPolarHBondContact O-CG 3.18Å; E311-F320 PolarHBondContact O-N 3.46Å
312N84.7Confident70.8Confident78 Ų7891.7 Ų91.742%0.41751%0.51SS..BIsolated β-bridgetrans-117145.3-178.7-61.7-9.6000111.5A314 E318 P319N312-A314 PolarHBondContact O-N 3.15Å; N312-E318 WeakPolarHBondContact CA-O 3.34Å; N312-P319 VanDerWaalsContact OD1-CA 3.3Å; N312-P319 WeakPolarHBondContact OD1-CA 3.49Å; N312-P319 WeakPolarHBondContact OD1-CB 3.27Å
313C87.4Confident72Confident0 Ų091.8 Ų91.80%050%0.502CS..  trans-76.5118.1173.2-177.80000110V315 C316 L317 E318 F320 H336C313-V315 PolarHBondContact O-N 2.98Å; C313-C316 WeakPolarHBondContact CB-SG 3.11Å; C313-C316 VanDerWaalsContact SG-SG 3.65Å; C313-L317 WeakPolarHBondContact O-CA 3.48Å; C313-L317 PolarHBondContact O-N 2.93Å; C313-E318 PolarHBondContact N-O 3.43Å; C313-F320 HydrophobicContact CB-CD1 4.46Å; C313-F320 HydrophobicContact CB-CE1 3.67Å; C313-F320 HydrophobicContact CB-CZ 4.26Å; C313-H336 VanDerWaalsContact CB-CE1 3.48Å; C313-H336 WeakPolarHBondContact CB-CE1 3.39Å; C313-H336 WeakPolarHBondContact CB-ND1 3.34Å; C313-H336 PolarHBondContact SG-ND1 3.33Å
314A86.2Confident73.5Confident41 Ų4188.9 Ų88.934%0.33949%0.485SS..THydrogen-bonded Turntrans-72-2.6-178.100000114.8N312 Y335 L352N312-A314 PolarHBondContact O-N 3.15Å; A314-Y335 HydrophobicContact CB-CE1 3.97Å; A314-L352 HydrophobicContact CB-CD1 4.1Å; A314-L352 HydrophobicContact CB-CD2 3.76Å; A314-L352 HydrophobicContact CB-CG 4.02Å
315V86.6Confident75Confident58 Ų5886.4 Ų86.435%0.35247%0.469SS..THydrogen-bonded Turntrans-91.6-48.8176.4178.30000111.4C313 Y335 C339 I340 P351C313-V315 PolarHBondContact O-N 2.98Å; V315-Y335 HydrophobicContact CG2-CD1 3.7Å; V315-Y335 HydrophobicContact CG2-CE1 4.01Å; V315-C339 HydrophobicContact CB-CB 3.97Å; V315-C339 HydrophobicContact CG1-CB 3.87Å; V315-I340 HydrophobicContact CG2-CD1 4.32Å; V315-P351 HydrophobicContact CG2-CG 4.04Å
316C88.4Confident76.7Confident46 Ų4682.1 Ų82.131%0.31144%0.439SS..THydrogen-bonded Turntrans-99.1-6.8178.162.10000113.8C313 E318 H336C313-C316 WeakPolarHBondContact CB-SG 3.11Å; C313-C316 VanDerWaalsContact SG-SG 3.65Å; C316-E318 HydrophobicContact CB-CG 4.45Å; C316-E318 PolarHBondContact O-N 3.1Å; C316-E318 VanDerWaalsContact O-N 3.16Å; C316-H336 PolarHBondContact SG-ND1 2.92Å
317L87.4Confident78.5Confident136 Ų13675.3 Ų75.371%0.71241%0.407SS*.  trans61.912.6-177.2-50.6177.1000114.6C313C313-L317 WeakPolarHBondContact O-CA 3.48Å; C313-L317 PolarHBondContact O-N 2.93Å
318E86.4Confident80.5Confident110 Ų11068.6 Ų68.651%0.51438%0.377SS..PPolyproline II helixtrans-91.4147.1178.9-64.5-176170.100112.5N312 C313 C316N312-E318 WeakPolarHBondContact CA-O 3.34Å; C313-E318 PolarHBondContact N-O 3.43Å; C316-E318 HydrophobicContact CB-CG 4.45Å; C316-E318 PolarHBondContact O-N 3.1Å; C316-E318 VanDerWaalsContact O-N 3.16Å
319P85.4Confident82.4Confident73 Ų7365 Ų6547%0.47436%0.355SS..BIsolated β-bridgetrans-67.7149.3174.529.1-35.1000112.3N312 N321N312-P319 VanDerWaalsContact OD1-CA 3.3Å; N312-P319 WeakPolarHBondContact OD1-CA 3.49Å; N312-P319 WeakPolarHBondContact OD1-CB 3.27Å; P319-N321 PolarHBondContact O-N 3.03Å
320F84.8Confident83.9Confident12 Ų1260.3 Ų60.35%0.05334%0.34CS..PPolyproline II helixtrans-71.2128.3176.1-58.2-50.3000111.7Y295 T310 E311 C313 L326 E334 H336Y295-F320 HydrophobicContact CD1-CB 3.69Å; Y295-F320 HydrophobicContact CD2-CB 3.92Å; Y295-F320 HydrophobicContact CD2-CD2 4.44Å; Y295-F320 HydrophobicContact CD2-CG 4.49Å; Y295-F320 HydrophobicContact CE1-CB 3.81Å; Y295-F320 WeakPolarHBondContact CE1-O 3.47Å; Y295-F320 HydrophobicContact CE2-CB 4.08Å; Y295-F320 HydrophobicContact CE2-CD2 4.44Å; Y295-F320 HydrophobicContact CG-CB 3.73Å; T310-F320 WeakPolarHBondContact O-CE2 3.2Å; E311-F320 WeakPolarHBondContact O-CD2 2.89Å; E311-F320 WeakPolarHBondContact O-CG 3.18Å; E311-F320 PolarHBondContact O-N 3.46Å; C313-F320 HydrophobicContact CB-CD1 4.46Å; C313-F320 HydrophobicContact CB-CE1 3.67Å; C313-F320 HydrophobicContact CB-CZ 4.26Å; F320-L326 HydrophobicContact CB-CD1 4.42Å; F320-L326 HydrophobicContact CD1-CD1 3.83Å; F320-L326 HydrophobicContact CD1-CD2 3.32Å; F320-L326 HydrophobicContact CD1-CG 4.23Å; F320-L326 HydrophobicContact CD2-CD1 3.85Å; F320-L326 HydrophobicContact CE1-CD1 3.98Å; F320-L326 HydrophobicContact CE1-CD2 3.47Å; F320-L326 VanDerWaalsContact CE1-CD2 3.47Å; F320-L326 HydrophobicContact CE1-CG 4.36Å; F320-L326 HydrophobicContact CE2-CD1 4.02Å; F320-L326 HydrophobicContact CG-CD1 3.78Å; F320-L326 HydrophobicContact CG-CD2 4.06Å; F320-L326 HydrophobicContact CZ-CD1 4.09Å; F320-L326 HydrophobicContact CZ-CD2 4.33Å; F320-E334 HydrophobicContact CZ-CB 4.4Å; F320-H336 AromaticContact CD1-CD2 3.99Å; F320-H336 AromaticContact CD1-CE1 3.99Å; F320-H336 AromaticContact CD1-NE2 3.56Å
321N81.9Confident85.2Confident90 Ų9055.8 Ų55.848%0.48131%0.312SS..PPolyproline II helixtrans-101.2155.7176.2-66.1-46000112.1Y295 P319 N323 Q324Y295-N321 WeakPolarHBondContact CD1-O 3.21Å; P319-N321 PolarHBondContact O-N 3.03Å; N321-N323 PolarHBondContact O-N 3.5Å; N321-Q324 HydrophobicContact CB-CG 4.05Å; N321-Q324 PolarHBondContact ND2-NE2 3.05Å; N321-Q324 WeakPolarHBondContact O-CB 3.46Å; N321-Q324 WeakPolarHBondContact O-CG 3.42Å; N321-Q324 PolarHBondContact O-N 2.96Å
322N79Confident85.9Confident93 Ų9359 Ų5950%0.49733%0.331SS..THydrogen-bonded Turntrans-53.2136.7176.3-74.1-26.1000111.5R297 Q324R297-N322 WeakPolarHBondContact CA-OD1 3.42Å; R297-N322 WeakPolarHBondContact CB-OD1 3.32Å; R297-N322 PolarHBondContact N-OD1 3.11Å; N322-Q324 PolarHBondContact O-N 3.03Å
323N79.4Confident86Confident125 Ų12558 Ų5867%0.66832%0.324SS*.THydrogen-bonded Turntrans68.611.1178.9-48.2-41.3000115.2Y295 N321Y295-N323 PolarHBondContact O-N 3.35Å; N321-N323 PolarHBondContact O-N 3.5Å
324Q86.1Confident86.1Confident51 Ų5160.6 Ų60.624%0.23834%0.336CS..  trans-75.8142.4169.9-71.1-178.7-23.700111.4T294 Y295 N321 N322 L326 H336T294-Q324 WeakPolarHBondContact CA-O 3.48Å; Y295-Q324 PolarHBondContact N-O 3.36Å; N321-Q324 HydrophobicContact CB-CG 4.05Å; N321-Q324 PolarHBondContact ND2-NE2 3.05Å; N321-Q324 WeakPolarHBondContact O-CB 3.46Å; N321-Q324 WeakPolarHBondContact O-CG 3.42Å; N321-Q324 PolarHBondContact O-N 2.96Å; N322-Q324 PolarHBondContact O-N 3.03Å; Q324-L326 PolarHBondContact O-N 3.35Å; Q324-H336 PolarHBondContact OE1-CD2 3.21Å; Q324-H336 PolarHBondContact OE1-NE2 3.47Å
325C86.1Confident86.4Confident52 Ų5258.7 Ų58.735%0.35132%0.32SS..EExtended strand (participates in β ladder)trans-85.3110.7176.4-70.60000110R337C325-R337 HydrophobicContact CB-CB 4.41Å; C325-R337 WeakPolarHBondContact O-CB 3.32Å; C325-R337 PolarHBondContact O-N 3.13Å
326L89.1Confident86.6Confident0 Ų056.6 Ų56.60%031%0.307CS..EExtended strand (participates in β ladder)trans-95.9142.3173.6-52.1-172.8000110.2T292 K293 Y295 F320 Q324 Y335T292-L326 CarbonylContact C-O 3.59Å; T292-L326 VanDerWaalsContact CA-O 3.26Å; T292-L326 WeakPolarHBondContact CA-O 3.39Å; K293-L326 PolarHBondContact N-O 2.76Å; K293-L326 WeakPolarHBondContact O-CA 3.34Å; K293-L326 PolarHBondContact O-N 3.18Å; Y295-L326 HydrophobicContact CD2-CD1 4.06Å; Y295-L326 HydrophobicContact CG-CD1 4.32Å; F320-L326 HydrophobicContact CB-CD1 4.42Å; F320-L326 HydrophobicContact CD1-CD1 3.83Å; F320-L326 HydrophobicContact CD1-CD2 3.32Å; F320-L326 HydrophobicContact CD1-CG 4.23Å; F320-L326 HydrophobicContact CD2-CD1 3.85Å; F320-L326 HydrophobicContact CE1-CD1 3.98Å; F320-L326 HydrophobicContact CE1-CD2 3.47Å; F320-L326 VanDerWaalsContact CE1-CD2 3.47Å; F320-L326 HydrophobicContact CE1-CG 4.36Å; F320-L326 HydrophobicContact CE2-CD1 4.02Å; F320-L326 HydrophobicContact CG-CD1 3.78Å; F320-L326 HydrophobicContact CG-CD2 4.06Å; F320-L326 HydrophobicContact CZ-CD1 4.09Å; F320-L326 HydrophobicContact CZ-CD2 4.33Å; Q324-L326 PolarHBondContact O-N 3.35Å; L326-Y335 CarbonylContact C-O 3.56Å; L326-Y335 WeakPolarHBondContact CA-O 3.17Å
327R88.7Confident86.6Confident17 Ų1759.2 Ų59.26%0.06431%0.31CS..EExtended strand (participates in β ladder)trans-104.2130.1170.3-175.2177.3-64-98.116.4108.8M287 L290 Y335 R337 I340 D341M287-R327 PolarHBondContact O-NH1 3.07Å; L290-R327 HydrophobicContact CB-CG 4.3Å; R327-Y335 PolarHBondContact N-O 3.18Å; R327-Y335 PolarHBondContact O-N 3.41Å; R327-R337 HydrophobicContact CB-CB 4.44Å; R327-I340 HydrophobicContact CB-CG2 3.84Å; R327-I340 HydrophobicContact CG-CG2 4.27Å; R327-D341 WeakPolarHBondContact CD-OD1 3.42Å; R327-D341 IonicContact CZ-OD1 2.95Å; R327-D341 IonicContact CZ-OD2 2.69Å; R327-D341 IonicContact NE-OD1 2.77Å; R327-D341 PolarHBondContact NE-OD1 3.4Å; R327-D341 IonicContact NE-OD2 3.43Å; R327-D341 VanDerWaalsContact NH2-CG 3.3Å; R327-D341 IonicContact NH2-OD1 3.62Å; R327-D341 PolarHBondContact NH2-OD1 2.79Å; R327-D341 IonicContact NH2-OD2 2.67Å; R327-D341 PolarHBondContact NH2-OD2 3.04Å
328V88.5Confident86.6Confident17 Ų1758.1 Ų58.110%0.10331%0.305CS..EExtended strand (participates in β ladder)trans-105.2117.7179.5-171.60000108.2K291 K293 E334K291-V328 HydrophobicContact CB-CB 4.47Å; K291-V328 PolarHBondContact O-N 2.61Å; K293-V328 HydrophobicContact CB-CG2 4.34Å; V328-E334 HydrophobicContact CG2-CG 4.13Å
329L89.2Confident86.7Confident3 Ų354.6 Ų54.62%0.01629%0.292CS..  trans-75.4163.8177.2-84.270.6000110.7C331 L332 H333 Y335 I340 L344 C350 I357L329-C331 WeakPolarHBondContact CB-SG 3.39Å; L329-C331 PolarHBondContact O-N 3.06Å; L329-L332 WeakPolarHBondContact O-CA 3.29Å; L329-L332 PolarHBondContact O-N 3.23Å; L329-H333 PolarHBondContact N-O 2.97Å; L329-Y335 HydrophobicContact CD1-CD2 3.66Å; L329-Y335 HydrophobicContact CD1-CE2 3.86Å; L329-Y335 HydrophobicContact CD2-CE2 4.38Å; L329-I340 HydrophobicContact CD1-CG1 3.93Å; L329-L344 HydrophobicContact CD2-CD2 4.27Å; L329-C350 HydrophobicContact CD2-CB 3.66Å; L329-I357 HydrophobicContact CD2-CG2 3.93Å; L329-I357 HydrophobicContact CG-CG2 4.09Å
330P85.7Confident86.9Confident85 Ų8551.1 Ų51.155%0.55227%0.27SS*.THydrogen-bonded Turntrans-60.2-19.4175.5-22.634.9000113.9L290 L332L290-P330 HydrophobicContact CD2-CG 3.86Å; P330-L332 VanDerWaalsContact C-N 3.26Å
331C87.1Confident87Confident12 Ų1252.1 Ų52.18%0.08128%0.275CS..THydrogen-bonded Turntrans-82.43.2173.4570000114.3L329 H333 R355L329-C331 WeakPolarHBondContact CB-SG 3.39Å; L329-C331 PolarHBondContact O-N 3.06Å; C331-H333 VanDerWaalsContact C-N 3.29Å; C331-H333 PolarHBondContact O-N 2.81Å; C331-H333 PolarHBondContact SG-ND1 3.37Å; C331-H333 VanDerWaalsContact SG-ND1 3.37Å; C331-R355 HydrophobicContact CB-CB 4.37Å
332L85.8Confident87.3Confident140 Ų14051.3 Ų51.373%0.73328%0.275SS*.  trans71.74.5-179.3-54.9172.4000116.5L329 P330L329-L332 WeakPolarHBondContact O-CA 3.29Å; L329-L332 PolarHBondContact O-N 3.23Å; P330-L332 VanDerWaalsContact C-N 3.26Å
333H88.1Confident87.7Confident56 Ų5652 Ų5226%0.25927%0.27SS..  trans-73.5136.5171.1-63.3115.2000111.6L329 C331 Y335 C350 L352L329-H333 PolarHBondContact N-O 2.97Å; C331-H333 VanDerWaalsContact C-N 3.29Å; C331-H333 PolarHBondContact O-N 2.81Å; C331-H333 PolarHBondContact SG-ND1 3.37Å; C331-H333 VanDerWaalsContact SG-ND1 3.37Å; H333-Y335 HydrophobicContact CB-CE2 3.62Å; H333-C350 PolarHBondContact ND1-SG 2.81Å; H333-L352 HydrophobicContact CB-CD1 4.18Å; H333-L352 VanDerWaalsContact CD2-CD1 3.48Å; H333-L352 WeakPolarHBondContact CD2-CD1 3.44Å
334E89.4Confident88Confident56 Ų5646 Ų4626%0.26224%0.239SC..EExtended strand (participates in β ladder)trans-103.6136.9-178.9-51-165.6163.800110.6K293 F320 V328K293-E334 IonicContact NZ-OE1 3.74Å; K293-E334 PolarHBondContact NZ-OE1 3.34Å; K293-E334 IonicContact NZ-OE2 2.61Å; F320-E334 HydrophobicContact CZ-CB 4.4Å; V328-E334 HydrophobicContact CG2-CG 4.13Å
335Y90.9Very high87.9Confident0 Ų047.6 Ų47.60%025%0.248CC..EExtended strand (participates in β ladder)trans-142.9160.1176.3-56.7-88.6000110.2A314 V315 L326 R327 L329 H333 R337 I340 C350 P351 L352A314-Y335 HydrophobicContact CB-CE1 3.97Å; V315-Y335 HydrophobicContact CG2-CD1 3.7Å; V315-Y335 HydrophobicContact CG2-CE1 4.01Å; L326-Y335 CarbonylContact C-O 3.56Å; L326-Y335 WeakPolarHBondContact CA-O 3.17Å; R327-Y335 PolarHBondContact N-O 3.18Å; R327-Y335 PolarHBondContact O-N 3.41Å; L329-Y335 HydrophobicContact CD1-CD2 3.66Å; L329-Y335 HydrophobicContact CD1-CE2 3.86Å; L329-Y335 HydrophobicContact CD2-CE2 4.38Å; H333-Y335 HydrophobicContact CB-CE2 3.62Å; Y335-R337 PolarHBondContact O-N 3.21Å; Y335-I340 HydrophobicContact CD1-CD1 4.4Å; Y335-I340 HydrophobicContact CD2-CB 4.37Å; Y335-I340 HydrophobicContact CD2-CD1 3.98Å; Y335-I340 HydrophobicContact CD2-CG1 3.84Å; Y335-I340 HydrophobicContact CE2-CD1 4.2Å; Y335-I340 HydrophobicContact CE2-CG1 4.46Å; Y335-I340 HydrophobicContact CG-CB 4.09Å; Y335-I340 HydrophobicContact CG-CD1 4.07Å; Y335-I340 HydrophobicContact CG-CG1 4Å; Y335-C350 PolarHBondContact OH-SG 3.46Å; Y335-P351 HydrophobicContact CE1-CB 4.41Å; Y335-P351 HydrophobicContact CE1-CG 4.12Å; Y335-L352 HydrophobicContact CE1-CD1 4.37Å; Y335-L352 HydrophobicContact CE1-CG 4.49Å; Y335-L352 WeakPolarHBondContact OH-CD1 3.25Å; Y335-L352 WeakPolarHBondContact OH-CG 3.49Å; Y335-L352 PolarHBondContact OH-N 2.92Å
336H90.5Very high87.6Confident15 Ų1551.4 Ų51.47%0.06926%0.264CS..EExtended strand (participates in β ladder)trans-59.5133.2164.6-60.4116000109.7C313 C316 F320 Q324 D338 C339 I340C313-H336 VanDerWaalsContact CB-CE1 3.48Å; C313-H336 WeakPolarHBondContact CB-CE1 3.39Å; C313-H336 WeakPolarHBondContact CB-ND1 3.34Å; C313-H336 PolarHBondContact SG-ND1 3.33Å; C316-H336 PolarHBondContact SG-ND1 2.92Å; F320-H336 AromaticContact CD1-CD2 3.99Å; F320-H336 AromaticContact CD1-CE1 3.99Å; F320-H336 AromaticContact CD1-NE2 3.56Å; Q324-H336 PolarHBondContact OE1-CD2 3.21Å; Q324-H336 PolarHBondContact OE1-NE2 3.47Å; H336-D338 PolarHBondContact O-N 3.49Å; H336-C339 HydrophobicContact CB-CB 4.05Å; H336-C339 PolarHBondContact O-N 3.48Å; H336-C339 VanDerWaalsContact O-N 3.08Å; H336-I340 WeakPolarHBondContact O-CG2 3.44Å; H336-I340 PolarHBondContact O-N 3.37Å; H336-I340 VanDerWaalsContact O-N 3.07Å
337R88.4Confident87.2Confident100 Ų10056.9 Ų56.938%0.37729%0.29SS..Hα-helixtrans-51.2-45.9178.1-175.5-175.768.4-177.21111.2C325 R327 Y335 C339 I340 D341C325-R337 HydrophobicContact CB-CB 4.41Å; C325-R337 WeakPolarHBondContact O-CB 3.32Å; C325-R337 PolarHBondContact O-N 3.13Å; R327-R337 HydrophobicContact CB-CB 4.44Å; Y335-R337 PolarHBondContact O-N 3.21Å; R337-C339 VanDerWaalsContact C-N 3.29Å; R337-C339 PolarHBondContact O-N 3.39Å; R337-I340 PolarHBondContact O-N 3.41Å; R337-D341 WeakPolarHBondContact CG-OD2 3.5Å; R337-D341 VanDerWaalsContact O-CB 3.32Å; R337-D341 WeakPolarHBondContact O-CB 3.31Å; R337-D341 PolarHBondContact O-N 3.46Å
338D88Confident87.2Confident113 Ų11358.4 Ų58.460%0.60430%0.298SS*.Hα-helixtrans-73.1-22.7-174-50.7-31.2000112.4H336 P342H336-D338 PolarHBondContact O-N 3.49Å; D338-P342 WeakPolarHBondContact O-CD 3.49Å
339C88.3Confident87.2Confident37 Ų3759.2 Ų59.225%0.2530%0.303CS..Hα-helixtrans-83.9-37.8176.3-60.20000112.6V315 H336 R337V315-C339 HydrophobicContact CB-CB 3.97Å; V315-C339 HydrophobicContact CG1-CB 3.87Å; H336-C339 HydrophobicContact CB-CB 4.05Å; H336-C339 PolarHBondContact O-N 3.48Å; H336-C339 VanDerWaalsContact O-N 3.08Å; R337-C339 VanDerWaalsContact C-N 3.29Å; R337-C339 PolarHBondContact O-N 3.39Å
340I89.5Confident87.2Confident0 Ų059.1 Ų59.10%030%0.303CS..Hα-helixtrans-88.5-23.6-173.9-16656.4000113.2V315 R327 L329 Y335 H336 R337 W343 L344 P351V315-I340 HydrophobicContact CG2-CD1 4.32Å; R327-I340 HydrophobicContact CB-CG2 3.84Å; R327-I340 HydrophobicContact CG-CG2 4.27Å; L329-I340 HydrophobicContact CD1-CG1 3.93Å; Y335-I340 HydrophobicContact CD1-CD1 4.4Å; Y335-I340 HydrophobicContact CD2-CB 4.37Å; Y335-I340 HydrophobicContact CD2-CD1 3.98Å; Y335-I340 HydrophobicContact CD2-CG1 3.84Å; Y335-I340 HydrophobicContact CE2-CD1 4.2Å; Y335-I340 HydrophobicContact CE2-CG1 4.46Å; Y335-I340 HydrophobicContact CG-CB 4.09Å; Y335-I340 HydrophobicContact CG-CD1 4.07Å; Y335-I340 HydrophobicContact CG-CG1 4Å; H336-I340 WeakPolarHBondContact O-CG2 3.44Å; H336-I340 PolarHBondContact O-N 3.37Å; H336-I340 VanDerWaalsContact O-N 3.07Å; R337-I340 PolarHBondContact O-N 3.41Å; I340-W343 HydrophobicContact CD1-CB 4.2Å; I340-W343 HydrophobicContact CD1-CG 4.26Å; I340-W343 WeakPolarHBondContact O-CB 3.38Å; I340-W343 PolarHBondContact O-N 3.41Å; I340-L344 HydrophobicContact CD1-CG 4.36Å; I340-L344 HydrophobicContact CG1-CD1 3.96Å; I340-L344 HydrophobicContact CG1-CG 4.02Å; I340-L344 WeakPolarHBondContact O-CB 3Å; I340-L344 VanDerWaalsContact O-CG 3.32Å; I340-L344 WeakPolarHBondContact O-CG 3.5Å; I340-L344 PolarHBondContact O-N 3.37Å; I340-P351 HydrophobicContact CD1-CG 3.65Å
341D87.8Confident87.3Confident33 Ų3357 Ų5718%0.17629%0.289CS..Hα-helixtrans-62.8-47.4-179.7-74.21.5000112.7M287 R327 R337 W343 L344 L345M287-D341 HydrophobicContact CE-CB 4.04Å; M287-D341 VanDerWaalsContact CE-O 3.31Å; M287-D341 WeakPolarHBondContact CE-O 3.14Å; R327-D341 WeakPolarHBondContact CD-OD1 3.42Å; R327-D341 IonicContact CZ-OD1 2.95Å; R327-D341 IonicContact CZ-OD2 2.69Å; R327-D341 IonicContact NE-OD1 2.77Å; R327-D341 PolarHBondContact NE-OD1 3.4Å; R327-D341 IonicContact NE-OD2 3.43Å; R327-D341 VanDerWaalsContact NH2-CG 3.3Å; R327-D341 IonicContact NH2-OD1 3.62Å; R327-D341 PolarHBondContact NH2-OD1 2.79Å; R327-D341 IonicContact NH2-OD2 2.67Å; R327-D341 PolarHBondContact NH2-OD2 3.04Å; R337-D341 WeakPolarHBondContact CG-OD2 3.5Å; R337-D341 VanDerWaalsContact O-CB 3.32Å; R337-D341 WeakPolarHBondContact O-CB 3.31Å; R337-D341 PolarHBondContact O-N 3.46Å; D341-W343 VanDerWaalsContact C-N 3.28Å; D341-W343 PolarHBondContact O-N 2.66Å; D341-L344 PolarHBondContact O-N 3.09Å; D341-L345 WeakPolarHBondContact O-CG 3.46Å; D341-L345 PolarHBondContact O-N 3.2Å; D341-L345 VanDerWaalsContact O-N 3.11Å
342P88.1Confident87.2Confident72 Ų7261.2 Ų61.247%0.46831%0.31SS..Hα-helixtrans-58.4-41174.1-23.433.9000112.3D338 L345 L346D338-P342 WeakPolarHBondContact O-CD 3.49Å; P342-L345 PolarHBondContact O-N 3.42Å; P342-L346 WeakPolarHBondContact O-CD1 3.37Å; P342-L346 PolarHBondContact O-N 3.46Å
343W87.8Confident87.2Confident107 Ų10756.5 Ų56.541%0.40529%0.288SS..Hα-helixtrans-63.3-43.8178.7179.9-86.4000112.3I340 D341 L345 L346 Q347 T349 P351I340-W343 HydrophobicContact CD1-CB 4.2Å; I340-W343 HydrophobicContact CD1-CG 4.26Å; I340-W343 WeakPolarHBondContact O-CB 3.38Å; I340-W343 PolarHBondContact O-N 3.41Å; D341-W343 VanDerWaalsContact C-N 3.28Å; D341-W343 PolarHBondContact O-N 2.66Å; W343-L345 VanDerWaalsContact C-N 3.3Å; W343-L345 PolarHBondContact O-N 3.15Å; W343-L346 PolarHBondContact O-N 3.48Å; W343-Q347 HydrophobicContact CZ2-CB 4.46Å; W343-Q347 HydrophobicContact CZ2-CG 4.46Å; W343-Q347 PolarHBondContact O-N 2.95Å; W343-T349 VanDerWaalsContact CD1-O 3.22Å; W343-T349 PolarHBondContact NE1-O 2.64Å; W343-P351 HydrophobicContact CD2-CG 4.18Å; W343-P351 HydrophobicContact CG-CG 4.14Å; W343-P351 HydrophobicContact CZ2-CG 4.48Å
344L85.3Confident87.2Confident0 Ų062.2 Ų62.20%031%0.312CS..Hα-helixtrans-70-23.7179.9-72.1176.2000113.4M287 L290 L329 I340 D341 H348 I357M287-L344 HydrophobicContact CE-CB 3.64Å; M287-L344 HydrophobicContact CE-CD1 4.48Å; M287-L344 HydrophobicContact CG-CB 4.24Å; M287-L344 HydrophobicContact SD-CB 3.81Å; L290-L344 HydrophobicContact CD1-CD1 3.95Å; L329-L344 HydrophobicContact CD2-CD2 4.27Å; I340-L344 HydrophobicContact CD1-CG 4.36Å; I340-L344 HydrophobicContact CG1-CD1 3.96Å; I340-L344 HydrophobicContact CG1-CG 4.02Å; I340-L344 WeakPolarHBondContact O-CB 3Å; I340-L344 VanDerWaalsContact O-CG 3.32Å; I340-L344 WeakPolarHBondContact O-CG 3.5Å; I340-L344 PolarHBondContact O-N 3.37Å; D341-L344 PolarHBondContact O-N 3.09Å; L344-H348 WeakPolarHBondContact O-CA 3.38Å; L344-H348 PolarHBondContact O-CD2 2.85Å; L344-H348 PolarHBondContact O-N 2.88Å; L344-I357 HydrophobicContact CB-CD1 4.43Å; L344-I357 HydrophobicContact CD1-CD1 4.34Å; L344-I357 HydrophobicContact CD2-CD1 4.02Å; L344-I357 HydrophobicContact CD2-CG1 4.27Å; L344-I357 HydrophobicContact CD2-CG2 3.71Å; L344-I357 HydrophobicContact CG-CD1 4.49Å
345L82.9Confident86.9Confident85 Ų8565.9 Ų65.945%0.44532%0.324SS..Hα-helixtrans-70-33.6171.4-71.3170.1000112.3L284 M287 D341 P342 W343 H348L284-L345 HydrophobicContact CD2-CD2 3.56Å; L284-L345 HydrophobicContact CG-CD2 4.25Å; M287-L345 HydrophobicContact CE-CD2 4.18Å; M287-L345 HydrophobicContact CE-CG 4Å; M287-L345 HydrophobicContact SD-CD2 3.72Å; M287-L345 HydrophobicContact SD-CG 4.04Å; D341-L345 WeakPolarHBondContact O-CG 3.46Å; D341-L345 PolarHBondContact O-N 3.2Å; D341-L345 VanDerWaalsContact O-N 3.11Å; P342-L345 PolarHBondContact O-N 3.42Å; W343-L345 VanDerWaalsContact C-N 3.3Å; W343-L345 PolarHBondContact O-N 3.15Å; L345-H348 PolarHBondContact O-NE2 2.89Å
346L81Confident86.6Confident131 Ų13168.1 Ų68.169%0.68634%0.34SS*.Hα-helixtrans-87.9-50.7-177.7-84.678.9000112.8P342 W343P342-L346 WeakPolarHBondContact O-CD1 3.37Å; P342-L346 PolarHBondContact O-N 3.46Å; W343-L346 PolarHBondContact O-N 3.48Å
347Q80.5Confident86.1Confident115 Ų11567.6 Ų67.654%0.53734%0.337SS..Hα-helixtrans-115.6-10.5-164.9-66.9-65-47.300114.3W343 T349W343-Q347 HydrophobicContact CZ2-CB 4.46Å; W343-Q347 HydrophobicContact CZ2-CG 4.46Å; W343-Q347 PolarHBondContact O-N 2.95Å; Q347-T349 WeakPolarHBondContact O-CB 3.37Å; Q347-T349 VanDerWaalsContact O-CG2 3.29Å; Q347-T349 WeakPolarHBondContact O-CG2 3.37Å; Q347-T349 PolarHBondContact O-N 2.77Å; Q347-T349 PolarHBondContact O-OG1 3.42Å
348H87.7Confident85.7Confident49 Ų4966.7 Ų66.723%0.22734%0.339CS..  trans53.717.3174.3-47.1179.6000114.3V283 L344 L345 S356 I357 L358V283-H348 WeakPolarHBondContact CG2-CE1 3.02Å; V283-H348 WeakPolarHBondContact CG2-ND1 3.49Å; L344-H348 WeakPolarHBondContact O-CA 3.38Å; L344-H348 PolarHBondContact O-CD2 2.85Å; L344-H348 PolarHBondContact O-N 2.88Å; L345-H348 PolarHBondContact O-NE2 2.89Å; H348-S356 WeakPolarHBondContact O-CA 3.26Å; H348-I357 HydrophobicContact CB-CG1 4.48Å; H348-I357 WeakPolarHBondContact O-CG1 3.39Å; H348-I357 PolarHBondContact O-N 3.33Å; H348-L358 HydrophobicContact CB-CD1 4.5Å
349T88.6Confident84.7Confident35 Ų3563.9 Ų63.922%0.21534%0.337CS..BIsolated β-bridgetrans-131.4153.9-169.848.50000111W343 Q347 R355W343-T349 VanDerWaalsContact CD1-O 3.22Å; W343-T349 PolarHBondContact NE1-O 2.64Å; Q347-T349 WeakPolarHBondContact O-CB 3.37Å; Q347-T349 VanDerWaalsContact O-CG2 3.29Å; Q347-T349 WeakPolarHBondContact O-CG2 3.37Å; Q347-T349 PolarHBondContact O-N 2.77Å; Q347-T349 PolarHBondContact O-OG1 3.42Å; T349-R355 WeakPolarHBondContact CA-O 3.2Å
350C89.1Confident82.8Confident1 Ų166 Ų661%0.00736%0.357CS..  trans-70.2128.4175.3175.60000111.5L329 H333 Y335 L352 K354 R355L329-C350 HydrophobicContact CD2-CB 3.66Å; H333-C350 PolarHBondContact ND1-SG 2.81Å; Y335-C350 PolarHBondContact OH-SG 3.46Å; C350-L352 PolarHBondContact O-N 3.5Å; C350-L352 PolarHBondContact SG-N 2.8Å; C350-L352 VanDerWaalsContact SG-N 3.43Å; C350-K354 WeakPolarHBondContact O-CA 3.45Å; C350-K354 PolarHBondContact O-N 2.89Å; C350-R355 PolarHBondContact N-O 2.94Å
351P88.6Confident80.7Confident41 Ų4172.1 Ų72.127%0.26639%0.394SS..THydrogen-bonded Turntrans-56.9-33.2175.3-25.130.8000114.2V315 Y335 I340 W343V315-P351 HydrophobicContact CG2-CG 4.04Å; Y335-P351 HydrophobicContact CE1-CB 4.41Å; Y335-P351 HydrophobicContact CE1-CG 4.12Å; I340-P351 HydrophobicContact CD1-CG 3.65Å; W343-P351 HydrophobicContact CD2-CG 4.18Å; W343-P351 HydrophobicContact CG-CG 4.14Å; W343-P351 HydrophobicContact CZ2-CG 4.48Å
352L86.1Confident78.5Confident99 Ų9980.7 Ų80.752%0.51842%0.424SS..THydrogen-bonded Turntrans-83-47.9-176.6-72171.1000112.7A314 H333 Y335 C350A314-L352 HydrophobicContact CB-CD1 4.1Å; A314-L352 HydrophobicContact CB-CD2 3.76Å; A314-L352 HydrophobicContact CB-CG 4.02Å; H333-L352 HydrophobicContact CB-CD1 4.18Å; H333-L352 VanDerWaalsContact CD2-CD1 3.48Å; H333-L352 WeakPolarHBondContact CD2-CD1 3.44Å; Y335-L352 HydrophobicContact CE1-CD1 4.37Å; Y335-L352 HydrophobicContact CE1-CG 4.49Å; Y335-L352 WeakPolarHBondContact OH-CD1 3.25Å; Y335-L352 WeakPolarHBondContact OH-CG 3.49Å; Y335-L352 PolarHBondContact OH-N 2.92Å; C350-L352 PolarHBondContact O-N 3.5Å; C350-L352 PolarHBondContact SG-N 2.8Å; C350-L352 VanDerWaalsContact SG-N 3.43Å
353C85.5Confident76.5Confident41 Ų4188.3 Ų88.328%0.27744%0.444SS..THydrogen-bonded Turntrans-118.66.4-171.472.80000114.9R355C353-R355 PolarHBondContact O-N 3.43Å; C353-R355 PolarHBondContact SG-NE 3.18Å
354K86.9Confident74.2Confident176 Ų17689.6 Ų89.677%0.76546%0.459SS*.  trans55.712.3178.4-55.8-176.8-179.4-1780115.7C350C350-K354 WeakPolarHBondContact O-CA 3.45Å; C350-K354 PolarHBondContact O-N 2.89Å
355R84.3Confident71.9Confident133 Ų13398.8 Ų98.850%0.50252%0.522SS..  trans-72.1130.9176.9-78-176.6-87.3168.2-2.8110C331 T349 C350 C353C331-R355 HydrophobicContact CB-CB 4.37Å; T349-R355 WeakPolarHBondContact CA-O 3.2Å; C350-R355 PolarHBondContact N-O 2.94Å; C353-R355 PolarHBondContact O-N 3.43Å; C353-R355 PolarHBondContact SG-NE 3.18Å
356S83.1Confident71.3Confident48 Ų4899.5 Ų99.534%0.33653%0.526SS..BIsolated β-bridgetrans-70.5140.2177.4176.20000111.8H348 L358H348-S356 WeakPolarHBondContact O-CA 3.26Å; S356-L358 VanDerWaalsContact C-N 3.27Å; S356-L358 PolarHBondContact OG-N 3.24Å; S356-L358 VanDerWaalsContact OG-N 3.17Å
357I81.9Confident70.8Confident3 Ų397.8 Ų97.82%0.01552%0.518CS..THydrogen-bonded Turntrans-77.5-13.4174.663158.6000113.1K286 M287 L290 L329 L344 H348 G359K286-I357 WeakPolarHBondContact CE-O 3.46Å; M287-I357 HydrophobicContact CG-CD1 3.8Å; L290-I357 HydrophobicContact CD1-CD1 4.26Å; L329-I357 HydrophobicContact CD2-CG2 3.93Å; L329-I357 HydrophobicContact CG-CG2 4.09Å; L344-I357 HydrophobicContact CB-CD1 4.43Å; L344-I357 HydrophobicContact CD1-CD1 4.34Å; L344-I357 HydrophobicContact CD2-CD1 4.02Å; L344-I357 HydrophobicContact CD2-CG1 4.27Å; L344-I357 HydrophobicContact CD2-CG2 3.71Å; L344-I357 HydrophobicContact CG-CD1 4.49Å; H348-I357 HydrophobicContact CB-CG1 4.48Å; H348-I357 WeakPolarHBondContact O-CG1 3.39Å; H348-I357 PolarHBondContact O-N 3.33Å; I357-G359 VanDerWaalsContact C-N 3.3Å
358L78.6Confident70.3Confident82 Ų8296.8 Ų96.843%0.42952%0.517SS..THydrogen-bonded Turntrans-82.8-6.1-179.1-60.7177.9000113.2V283 K286 H348 S356V283-L358 HydrophobicContact CG2-CD1 4.18Å; V283-L358 HydrophobicContact CG2-CD2 4.2Å; K286-L358 HydrophobicContact CB-CD2 4.08Å; K286-L358 HydrophobicContact CG-CD2 4.12Å; H348-L358 HydrophobicContact CB-CD1 4.5Å; S356-L358 VanDerWaalsContact C-N 3.27Å; S356-L358 PolarHBondContact OG-N 3.24Å; S356-L358 VanDerWaalsContact OG-N 3.17Å
359G67.6Low69.3Low54 Ų5499.6 Ų99.656%0.55753%0.534SS*.  trans110.7126.3179.100000111.5I357 V361I357-G359 VanDerWaalsContact C-N 3.3Å; G359-V361 PolarHBondContact O-N 2.96Å
360A47.5Very low68.1Low81 Ų81103.7 Ų103.767%0.66955%0.554SS**  trans-77.6118.8171.600000109.1R362A360-R362 PolarHBondContact O-N 2.96Å
361V45.6Very low66.7Low129 Ų129110.5 Ų110.578%0.78259%0.59SS**  trans-58.7116.6149.7174.70000105.8G359 R363G359-V361 PolarHBondContact O-N 2.96Å; V361-R363 PolarHBondContact O-N 3.41Å; V361-R363 VanDerWaalsContact O-N 3.07Å
362R41.2Very low65.1Low212 Ų212115.5 Ų115.580%0.861%0.614SS**  trans-61111169.1-66-174-171.7165.11107.4A360A360-R362 PolarHBondContact O-N 2.96Å
363R46.1Very low63.5Low233 Ų233116.8 Ų116.888%0.87962%0.621SS**  trans-98.982150.9-76.9-174.9-175.6157.41.3105.5V361V361-R363 PolarHBondContact O-N 3.41Å; V361-R363 VanDerWaalsContact O-N 3.07Å
364D41.3Very low61.7Low134 Ų134123.1 Ų123.172%0.71765%0.649SS**  trans-76.9130.4161.7-67.6-32.9000106.5
365S35.9Very low59.4Low192 Ų192118.3 Ų118.3100%1.34364%0.639SS**  trans-76.80-178.9-53.50000112.1

Retrieved 365 of 365 residues in 85.6 ms (Link to these results)