A0A077Z7Y7_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z7Y7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 335 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M27.9Very low22.1Very low251 Ų251144.5 Ų144.5100%1.23682%0.823SS**  0120.40-78.7173116.800108.2
2T21.2Very low22.1Very low131 Ų131140.4 Ų140.480%0.80481%0.81SS**  trans-75.2130.1-169.442.40000113.7
3C22.1Very low22.1Very low130 Ų130143.2 Ų143.288%0.87881%0.811SS**  -162.6125.7120.2-1010000111
4L21.7Very low22.4Very low148 Ų148140.8 Ų140.878%0.77581%0.806SS**  trans-70.1134.2-178.6-71.6119.9000111.5
5I21.6Very low22.6Very low148 Ų148139.5 Ų139.576%0.75980%0.801SS**  59.9129.389.1-56.1179.2000112.1
6S20.2Very low23Very low109 Ų109137.9 Ų137.976%0.76280%0.795SS**  cis-163.5157.425220000112.7
7F22Very low23.4Very low195 Ų195135.1 Ų135.186%0.85579%0.785SS**  trans-69.4152.3161.7-82.4-105.4000112.9
8V21.2Very low23.9Very low143 Ų143136.2 Ų136.287%0.86778%0.779SS**  trans-144.4133.6139.6179.90000110.2
9T21.2Very low24.6Very low104 Ų104133.4 Ų133.464%0.63877%0.767SS**  trans-83.4170.3179.140.10000114
10T22.1Very low25.1Very low122 Ų122132.9 Ų132.975%0.74876%0.756SS**  trans72.3117159.360.30000120.4
11C21.8Very low25.9Very low108 Ų108126.9 Ų126.973%0.7372%0.722SS**  trans-145.391.4135.5-103.30000109.5
12S22.1Very low26.1Very low96 Ų96121.6 Ų121.667%0.67169%0.692SS**SBendtrans-56.4133.2141.330.90000108.3
13H22.7Very low26.8Very low177 Ų177121.6 Ų121.682%0.81969%0.687SS**  trans71.674-178.3-55.1-80.7000117V15H13-V15 PolarHBondContact O-N 2.92Å
14C25.8Very low27.5Very low109 Ų109116.6 Ų116.674%0.73665%0.651SS**  trans-93.384.2156.4-91.10000110.5
15V26.2Very low28.2Very low121 Ų121112.9 Ų112.973%0.73364%0.638SS**  trans-68.7134.8146.7176.70000106.4H13H13-V15 PolarHBondContact O-N 2.92Å
16T28.1Very low28.7Very low115 Ų115112.2 Ų112.271%0.70663%0.629SS**SBendtrans89.5108.1-17675.90000116.5K18T16-K18 PolarHBondContact O-N 3.34Å
17S30.5Very low29.2Very low89 Ų89113.4 Ų113.462%0.62263%0.627SS**  trans-66.795.117736.20000112.8E74S17-E74 PolarHBondContact OG-OE1 3.18Å
18K32.4Very low29.8Very low155 Ų155106 Ų10667%0.67460%0.6SS**  trans-137.8104.3164.7-70.5-175.6-178172.80111.1T16T16-K18 PolarHBondContact O-N 3.34Å
19C36.1Very low30.6Very low83 Ų83101.1 Ų101.156%0.56157%0.568SS**  trans-83.7132.6168.4-70.20000110.2
20F35Very low31.1Very low124 Ų124100.2 Ų100.254%0.54457%0.567SS.*  trans-98.2127.2177.4-72.2-92.7000110.8V69F20-V69 HydrophobicContact CD1-CG2 4.19Å; F20-V69 HydrophobicContact CE1-CG2 4.04Å
21V42Very low31.6Very low7 Ų7100 Ų1004%0.04257%0.565CS.*EExtended strand (participates in β ladder)trans-85.6112.4171.4-179.30000108.7L24 N67 I68 L93 V95V21-L24 HydrophobicContact CG1-CD1 4.02Å; V21-L24 HydrophobicContact CG1-CG 4.47Å; V21-N67 WeakPolarHBondContact O-CA 3.35Å; V21-N67 WeakPolarHBondContact O-CB 3.45Å; V21-I68 PolarHBondContact O-N 3.29Å; V21-L93 HydrophobicContact CG1-CB 4.2Å; V21-L93 HydrophobicContact CG2-CB 4.3Å; V21-L93 HydrophobicContact CG2-CD1 4.08Å; V21-V95 HydrophobicContact CG1-CG2 3.78Å
22K33.4Very low32.2Very low139 Ų13997.1 Ų97.160%0.60454%0.542SS*.EExtended strand (participates in β ladder)trans-85.6125.2169.2-93.1178173.3179.70109N67K22-N67 WeakPolarHBondContact CA-OD1 3.47Å; K22-N67 VanDerWaalsContact CG-OD1 3.24Å; K22-N67 WeakPolarHBondContact CG-OD1 3.37Å
23N34Very low32.7Very low131 Ų13198.5 Ų98.570%0.70155%0.552SS**  trans89.162.5-178.4-71.9-27.6000117.1
24L38.3Very low33.2Very low25 Ų2592 Ų9213%0.13153%0.532CS..  trans-110.2108.5149.1-84.7154.1000108.6V21 K26 L29 N66 I68 V95V21-L24 HydrophobicContact CG1-CD1 4.02Å; V21-L24 HydrophobicContact CG1-CG 4.47Å; L24-K26 PolarHBondContact O-N 3.46Å; L24-L29 HydrophobicContact CB-CD1 4.3Å; L24-L29 HydrophobicContact CD1-CD1 4.46Å; L24-L29 HydrophobicContact CD2-CD1 3.91Å; L24-L29 HydrophobicContact CG-CD1 4.45Å; L24-N66 PolarHBondContact N-O 3.04Å; L24-I68 HydrophobicContact CB-CB 4.27Å; L24-I68 HydrophobicContact CB-CD1 3.4Å; L24-I68 HydrophobicContact CB-CG1 3.74Å; L24-I68 HydrophobicContact CD1-CB 3.75Å; L24-I68 HydrophobicContact CD1-CD1 3.95Å; L24-I68 HydrophobicContact CD1-CG1 4.15Å; L24-I68 HydrophobicContact CD1-CG2 4.26Å; L24-I68 HydrophobicContact CG-CD1 4.2Å; L24-V95 HydrophobicContact CD1-CG2 4.16Å; L24-V95 HydrophobicContact CD2-CB 4.08Å; L24-V95 HydrophobicContact CD2-CG1 3.94Å; L24-V95 HydrophobicContact CG-CB 4.33Å; L24-V95 HydrophobicContact CG-CG2 4.36Å
25S35.7Very low33.8Very low70 Ų7089.2 Ų89.249%0.4951%0.513SS..  trans-55.9126170.9162.50000109.6N27 S28S25-N27 PolarHBondContact O-N 3.21Å; S25-N27 PolarHBondContact OG-N 3.35Å; S25-S28 PolarHBondContact O-N 2.97Å; S25-S28 PolarHBondContact O-OG 2.6Å
26K32.7Very low34.3Very low134 Ų13485 Ų8558%0.58349%0.487SS*.THydrogen-bonded Turntrans-50-25.3177.1-89.4179.2173.61790113.7L24 L62L24-K26 PolarHBondContact O-N 3.46Å; K26-L62 VanDerWaalsContact NZ-CD2 3.31Å
27N30.3Very low34.9Very low135 Ų13581.9 Ų81.972%0.72247%0.468SS*.THydrogen-bonded Turntrans-84.6-13.1-172.9-73.9-4.7000114.8S25S25-N27 PolarHBondContact O-N 3.21Å; S25-N27 PolarHBondContact OG-N 3.35Å
28S34.4Very low35.4Very low39 Ų3978 Ų7827%0.27344%0.44SS..SBendtrans-92.4-14.1-177.735.90000114.5S25S25-S28 PolarHBondContact O-N 2.97Å; S25-S28 PolarHBondContact O-OG 2.6Å
29L38.2Very low35.6Very low40 Ų4073.9 Ų73.921%0.20942%0.422CS..SBendtrans-101.2-14.1-175.7-91145.2000115.6L24 V31 L32 I58 I68L24-L29 HydrophobicContact CB-CD1 4.3Å; L24-L29 HydrophobicContact CD1-CD1 4.46Å; L24-L29 HydrophobicContact CD2-CD1 3.91Å; L24-L29 HydrophobicContact CG-CD1 4.45Å; L29-V31 PolarHBondContact O-N 2.79Å; L29-L32 HydrophobicContact CD2-CD1 3.99Å; L29-L32 HydrophobicContact CG-CD1 4.21Å; L29-I58 HydrophobicContact CD2-CD1 3.84Å; L29-I68 HydrophobicContact CD1-CD1 3.09Å
30S32.2Very low36Very low86 Ų8670.9 Ų70.960%0.60140%0.401SS*.THydrogen-bonded Turntrans-71.6-9.8177.752.10000113.8
31V31.4Very low36Very low118 Ų11870.5 Ų70.572%0.71540%0.402SS*.THydrogen-bonded Turntrans-109.9-0.6-171.3-170.40000113.4L29 S33L29-V31 PolarHBondContact O-N 2.79Å; V31-S33 PolarHBondContact O-N 2.87Å
32L34.6Very low36.2Very low47 Ų4771.3 Ų71.325%0.24641%0.406CS..  trans-90.1110.7-170-69.6160.2000111.9L29 V36L29-L32 HydrophobicContact CD2-CD1 3.99Å; L29-L32 HydrophobicContact CG-CD1 4.21Å; L32-V36 HydrophobicContact CB-CG2 4.44Å; L32-V36 HydrophobicContact CD1-CG2 3.74Å; L32-V36 HydrophobicContact CD2-CG2 4.39Å; L32-V36 HydrophobicContact CG-CG2 4.41Å
33S32.9Very low36.4Very low125 Ų12569.5 Ų69.587%0.87441%0.411SS*.  trans-99.618.5173.759.30000113.7V31V31-S33 PolarHBondContact O-N 2.87Å
34G33.7Very low36.7Very low39 Ų3970.6 Ų70.640%0.40241%0.409SS..SBendtrans-152.8171.3-179.500000113.9
35P37.6Very low36.6Very low52 Ų5272.3 Ų72.334%0.33842%0.418SS..  trans-58.9137178.124.9-33.9000111.2
36V37.4Very low36.7Very low32 Ų3278.5 Ų78.519%0.19444%0.439CS..EExtended strand (participates in β ladder)trans-101.1123.4-178.4-174.20000108.4L32 V38 V53L32-V36 HydrophobicContact CB-CG2 4.44Å; L32-V36 HydrophobicContact CD1-CG2 3.74Å; L32-V36 HydrophobicContact CD2-CG2 4.39Å; L32-V36 HydrophobicContact CG-CG2 4.41Å; V36-V38 HydrophobicContact CG1-CG2 4.19Å; V36-V53 PolarHBondContact N-O 2.73Å; V36-V53 PolarHBondContact O-N 2.92Å
37V40.7Very low36.9Very low50 Ų5076.6 Ų76.630%0.30344%0.439SS..EExtended strand (participates in β ladder)trans-92.3112178.4-178.90000107.6L50V37-L50 HydrophobicContact CB-CD2 4.47Å; V37-L50 HydrophobicContact CG1-CD2 3Å; V37-L50 HydrophobicContact CG1-CG 4.42Å
38V41.2Very low37.3Very low7 Ų773 Ų734%0.04242%0.422CS..EExtended strand (participates in β ladder)trans-104.5120.2-178.8-177.20000109.4V36 L40 I51 V53 V95V36-V38 HydrophobicContact CG1-CG2 4.19Å; V38-L40 HydrophobicContact CG1-CD2 4.03Å; V38-I51 PolarHBondContact N-O 2.86Å; V38-I51 PolarHBondContact O-N 2.8Å; V38-I51 VanDerWaalsContact O-N 3.16Å; V38-V53 HydrophobicContact CG2-CG2 4.23Å; V38-V95 HydrophobicContact CG1-CG1 4.15Å; V38-V95 HydrophobicContact CG1-CG2 4.04Å; V38-V95 HydrophobicContact CG2-CG1 4.34Å
39K36.5Very low37.5Very low68 Ų6872.4 Ų72.430%0.29642%0.417SS..EExtended strand (participates in β ladder)trans-88.4114.6171.1-173.2179.4-176.6-178.90109.4P48 W98K39-P48 HydrophobicContact CD-CB 4.17Å; K39-P48 HydrophobicContact CG-CB 3.85Å; K39-W98 HydrophobicContact CD-CZ2 4.16Å
40L43.6Very low37.7Very low20 Ų2073.6 Ų73.611%0.10542%0.424CS..EExtended strand (participates in β ladder)trans-92.5119174.3-55.9170000109.2V38 V49 I51 L93V38-L40 HydrophobicContact CG1-CD2 4.03Å; L40-V49 HydrophobicContact CB-CB 4.36Å; L40-V49 HydrophobicContact CD1-CB 4.24Å; L40-V49 HydrophobicContact CD1-CG1 4.31Å; L40-V49 PolarHBondContact N-O 2.88Å; L40-V49 PolarHBondContact O-N 2.82Å; L40-I51 HydrophobicContact CD1-CD1 3.34Å; L40-I51 HydrophobicContact CD1-CG1 3.79Å; L40-I51 HydrophobicContact CG-CD1 4.41Å; L40-L93 HydrophobicContact CB-CD2 4.48Å; L40-L93 HydrophobicContact CD2-CD2 3.17Å; L40-L93 HydrophobicContact CG-CD2 4.33Å
41M34.3Very low38.3Very low117 Ų11770.4 Ų70.458%0.57640%0.399SS*.  trans-98.9104.6169.5-65.8-86.4-73.100107.4
42I47.4Very low38.6Very low24 Ų2468.7 Ų68.712%0.12339%0.393CS..  trans-90.1122.5173.5-56.8173.1000106K44 L45 L80 L87I42-K44 PolarHBondContact O-N 3.29Å; I42-L45 HydrophobicContact CB-CB 4.37Å; I42-L45 HydrophobicContact CG2-CD1 4.31Å; I42-L45 PolarHBondContact O-N 2.9Å; I42-L45 VanDerWaalsContact O-O 3.1Å; I42-L80 HydrophobicContact CD1-CD2 3.81Å; I42-L87 HydrophobicContact CG2-CD1 4.19Å
43S38.2Very low39.1Very low100 Ų10066.8 Ų66.870%0.69938%0.383SS*.THydrogen-bonded Turntrans-60.4-1-172.2540000116T91S43-T91 WeakPolarHBondContact OG-CG2 3.41Å
44K38.8Very low39.4Very low155 Ų15568.9 Ų68.967%0.67437%0.372SS*.THydrogen-bonded Turntrans-124.90.7174.6-73.5-167.8174.2-174.40114.7I42I42-K44 PolarHBondContact O-N 3.29Å
45L37.4Very low39.9Very low60 Ų6075.2 Ų75.231%0.31438%0.384SS..  trans-116.2122.4169.9-89.992.5000109.1I42 V47 L84I42-L45 HydrophobicContact CB-CB 4.37Å; I42-L45 HydrophobicContact CG2-CD1 4.31Å; I42-L45 PolarHBondContact O-N 2.9Å; I42-L45 VanDerWaalsContact O-O 3.1Å; L45-V47 PolarHBondContact O-N 2.95Å; L45-V47 VanDerWaalsContact O-N 3.13Å; L45-L84 HydrophobicContact CD1-CD1 3.98Å; L45-L84 HydrophobicContact CD1-CD2 3.99Å; L45-L84 HydrophobicContact CD1-CG 4.48Å
46E37.9Very low40.1Very low201 Ų20180 Ų8094%0.93941%0.406SS*.SBendtrans-70.74168.6-75.7-174.3151.400113.2
47V35.3Very low40.3Very low94 Ų9480.4 Ų80.457%0.5741%0.407SS*.SBendtrans-104.7115-178.7-168.40000109.9L45 V49L45-V47 PolarHBondContact O-N 2.95Å; L45-V47 VanDerWaalsContact O-N 3.13Å; V47-V49 PolarHBondContact O-N 2.83Å
48P39.3Very low40.7Very low58 Ų5879.7 Ų79.738%0.37740%0.401SS..PPolyproline II helixtrans-70.4123.5174.628-32.3000110.6K39K39-P48 HydrophobicContact CD-CB 4.17Å; K39-P48 HydrophobicContact CG-CB 3.85Å
49V39.9Very low40.8Very low27 Ų2780.6 Ų80.616%0.16441%0.41CS..EExtended strand (participates in β ladder)trans-89.9127.7173.9-178.20000108.9L40 V47 I51 V76L40-V49 HydrophobicContact CB-CB 4.36Å; L40-V49 HydrophobicContact CD1-CB 4.24Å; L40-V49 HydrophobicContact CD1-CG1 4.31Å; L40-V49 PolarHBondContact N-O 2.88Å; L40-V49 PolarHBondContact O-N 2.82Å; V47-V49 PolarHBondContact O-N 2.83Å; V49-I51 HydrophobicContact CG1-CG1 4.26Å; V49-V76 HydrophobicContact CG1-CG1 4.19Å
50L41.1Very low41.1Very low66 Ų6684.9 Ų84.935%0.34643%0.431SS..EExtended strand (participates in β ladder)trans-100.6125.7176.9-89.9124.6000111.4V37 C127V37-L50 HydrophobicContact CB-CD2 4.47Å; V37-L50 HydrophobicContact CG1-CD2 3Å; V37-L50 HydrophobicContact CG1-CG 4.42Å; L50-C127 HydrophobicContact CD1-CB 3.26Å; L50-C127 WeakPolarHBondContact CD1-SG 3.18Å
51I45.1Very low40.8Very low18 Ų1889.6 Ų89.69%0.09246%0.456CS..EExtended strand (participates in β ladder)trans-120.2119.9175.9-51.6-167.6000108.3V38 L40 V49 V53 V73 V76V38-I51 PolarHBondContact N-O 2.86Å; V38-I51 PolarHBondContact O-N 2.8Å; V38-I51 VanDerWaalsContact O-N 3.16Å; L40-I51 HydrophobicContact CD1-CD1 3.34Å; L40-I51 HydrophobicContact CD1-CG1 3.79Å; L40-I51 HydrophobicContact CG-CD1 4.41Å; V49-I51 HydrophobicContact CG1-CG1 4.26Å; I51-V53 HydrophobicContact CG2-CG2 3.95Å; I51-V73 HydrophobicContact CD1-CG1 3.52Å; I51-V73 HydrophobicContact CG2-CG1 4.45Å; I51-V76 HydrophobicContact CD1-CB 4.47Å; I51-V76 HydrophobicContact CD1-CG1 4.09Å
52S38.2Very low40.7Very low82 Ų8289.4 Ų89.457%0.57346%0.457SS*.EExtended strand (participates in β ladder)trans-83115167.81690000108.4
53V44.6Very low40Very low7 Ų792.8 Ų92.84%0.04248%0.479CS..EExtended strand (participates in β ladder)trans-106.1124.4178.1-174.90000108.8V36 V38 I51 D57 I58 L70V36-V53 PolarHBondContact N-O 2.73Å; V36-V53 PolarHBondContact O-N 2.92Å; V38-V53 HydrophobicContact CG2-CG2 4.23Å; I51-V53 HydrophobicContact CG2-CG2 3.95Å; V53-D57 HydrophobicContact CG1-CB 4.02Å; V53-I58 HydrophobicContact CG1-CD1 3.98Å; V53-I58 HydrophobicContact CG1-CG1 3.57Å; V53-L70 HydrophobicContact CB-CD2 4.46Å; V53-L70 HydrophobicContact CG1-CD2 3.74Å; V53-L70 HydrophobicContact CG2-CD1 4.29Å; V53-L70 HydrophobicContact CG2-CD2 4Å
54R39Very low40Very low169 Ų16994.8 Ų94.864%0.63849%0.493SS*.  trans-82.6156.4170.4-60.7178.5-74.4-166.7-5.4109.9N56 D57R54-N56 PolarHBondContact O-N 3.39Å; R54-N56 VanDerWaalsContact O-N 3.1Å; R54-D57 VanDerWaalsContact CB-OD2 3.28Å; R54-D57 WeakPolarHBondContact CB-OD2 3.26Å; R54-D57 PolarHBondContact N-OD2 2.96Å; R54-D57 IonicContact NE-OD2 3.26Å; R54-D57 PolarHBondContact NE-OD2 3.47Å; R54-D57 WeakPolarHBondContact O-CB 2.96Å; R54-D57 PolarHBondContact O-N 3.22Å
55R43.9Very low40Very low172 Ų17289.8 Ų89.865%0.64948%0.477SS*.G310 helixtrans-55.8-31.5-179.4-164.5176.8-169166.45.2113.6D57R55-D57 VanDerWaalsContact C-N 3.3Å
56N42.9Very low40.1Very low152 Ų15291.7 Ų91.781%0.81349%0.488SS*.G310 helixtrans-78.5-16.3179.7-60.2-4.6000112.9R54 I58R54-N56 PolarHBondContact O-N 3.39Å; R54-N56 VanDerWaalsContact O-N 3.1Å; N56-I58 PolarHBondContact O-N 3.13Å
57D42Very low40.1Very low41 Ų4183.6 Ų83.622%0.21945%0.451CS..G310 helixtrans-87.811.7-179.3-59-25.1000110.9V53 R54 R55 I71V53-D57 HydrophobicContact CG1-CB 4.02Å; R54-D57 VanDerWaalsContact CB-OD2 3.28Å; R54-D57 WeakPolarHBondContact CB-OD2 3.26Å; R54-D57 PolarHBondContact N-OD2 2.96Å; R54-D57 IonicContact NE-OD2 3.26Å; R54-D57 PolarHBondContact NE-OD2 3.47Å; R54-D57 WeakPolarHBondContact O-CB 2.96Å; R54-D57 PolarHBondContact O-N 3.22Å; R55-D57 VanDerWaalsContact C-N 3.3Å; D57-I71 CarbonylContact C-O 3.46Å; D57-I71 VanDerWaalsContact CB-O 3.3Å; D57-I71 WeakPolarHBondContact CB-O 3.1Å; D57-I71 PolarHBondContact O-N 3.15Å
58I47.7Very low40.5Very low35 Ų3580.4 Ų80.418%0.17943%0.43CS..EExtended strand (participates in β ladder)trans-117.5108.2179.6-56.6177.2000108.6L29 V53 N56 Q60 I68 L70L29-I58 HydrophobicContact CD2-CD1 3.84Å; V53-I58 HydrophobicContact CG1-CD1 3.98Å; V53-I58 HydrophobicContact CG1-CG1 3.57Å; N56-I58 PolarHBondContact O-N 3.13Å; I58-Q60 PolarHBondContact O-N 2.81Å; I58-I68 HydrophobicContact CG2-CG2 3.39Å; I58-L70 HydrophobicContact CG1-CD2 4.15Å
59A43Very low40.7Very low27 Ų2778.7 Ų78.722%0.22342%0.419CS..EExtended strand (participates in β ladder)trans-79.9118.8165.500000109.8N61 V69 I71A59-N61 PolarHBondContact O-N 3.13Å; A59-V69 HydrophobicContact CB-CB 4.49Å; A59-V69 PolarHBondContact N-O 3.23Å; A59-I71 HydrophobicContact CB-CD1 3.14Å; A59-I71 HydrophobicContact CB-CG1 3.7Å
60Q42.6Very low40.9Very low158 Ų15879.4 Ų79.474%0.73842%0.422SS*.  trans-75.680.9160.6-68.3-175.30.600108.8I58I58-Q60 PolarHBondContact O-N 2.81Å
61N38Very low40.8Very low118 Ų11880.8 Ų80.863%0.63143%0.429SS*.  trans-95.295.2164.7-136.3-0.4000108.6A59 T63A59-N61 PolarHBondContact O-N 3.13Å; N61-T63 PolarHBondContact O-N 3.47Å; N61-T63 VanDerWaalsContact O-N 3.1Å
62L33.1Very low40.4Very low114 Ų11482.9 Ų82.960%0.59746%0.455SS*.  trans-73.888.3179.3-76.6135.6000109.8K26K26-L62 VanDerWaalsContact NZ-CD2 3.31Å
63T32.9Very low40.6Very low95 Ų9580 Ų8058%0.58343%0.434SS*.  trans-101.9160.9154.857.90000109N61 S65N61-T63 PolarHBondContact O-N 3.47Å; N61-T63 VanDerWaalsContact O-N 3.1Å; T63-S65 PolarHBondContact O-N 3.13Å
64S37.2Very low40.2Very low141 Ų14186 Ų8699%0.98646%0.461SS*.SBendtrans-57.611.4-167.149.20000117.7
65S39.2Very low40Very low50 Ų5085.9 Ų85.935%0.3547%0.468SS..SBendtrans-120.1130.8171.856.30000108.1T63 N67T63-S65 PolarHBondContact O-N 3.13Å; S65-N67 PolarHBondContact O-N 3.03Å; S65-N67 PolarHBondContact OG-ND2 3.22Å; S65-N67 VanDerWaalsContact OG-ND2 3.09Å
66N40Very low39.7Very low101 Ų10180.4 Ų80.454%0.5445%0.453SS..  trans-62.760.6-178.4-74-34000113.3L24L24-N66 PolarHBondContact N-O 3.04Å
67N37.8Very low39.5Very low31 Ų3177.2 Ų77.217%0.16643%0.432CS..EExtended strand (participates in β ladder)trans-115.4139.9-175.4-59.6-9.2000108.8V21 K22 S65V21-N67 WeakPolarHBondContact O-CA 3.35Å; V21-N67 WeakPolarHBondContact O-CB 3.45Å; K22-N67 WeakPolarHBondContact CA-OD1 3.47Å; K22-N67 VanDerWaalsContact CG-OD1 3.24Å; K22-N67 WeakPolarHBondContact CG-OD1 3.37Å; S65-N67 PolarHBondContact O-N 3.03Å; S65-N67 PolarHBondContact OG-ND2 3.22Å; S65-N67 VanDerWaalsContact OG-ND2 3.09Å
68I43.2Very low39.2Very low26 Ų2678.8 Ų78.813%0.13345%0.446CS..EExtended strand (participates in β ladder)trans-116.1133.7177.8-62.7-171000108.3V21 L24 L29 I58V21-I68 PolarHBondContact O-N 3.29Å; L24-I68 HydrophobicContact CB-CB 4.27Å; L24-I68 HydrophobicContact CB-CD1 3.4Å; L24-I68 HydrophobicContact CB-CG1 3.74Å; L24-I68 HydrophobicContact CD1-CB 3.75Å; L24-I68 HydrophobicContact CD1-CD1 3.95Å; L24-I68 HydrophobicContact CD1-CG1 4.15Å; L24-I68 HydrophobicContact CD1-CG2 4.26Å; L24-I68 HydrophobicContact CG-CD1 4.2Å; L29-I68 HydrophobicContact CD1-CD1 3.09Å; I58-I68 HydrophobicContact CG2-CG2 3.39Å
69V43.4Very low38.4Very low23 Ų2385 Ų8514%0.13947%0.472CS..EExtended strand (participates in β ladder)trans-96.7113.8179.7-177.10000108.1F20 A59 I71F20-V69 HydrophobicContact CD1-CG2 4.19Å; F20-V69 HydrophobicContact CE1-CG2 4.04Å; A59-V69 HydrophobicContact CB-CB 4.49Å; A59-V69 PolarHBondContact N-O 3.23Å; V69-I71 HydrophobicContact CG1-CG1 4.42Å
70L44Very low38.2Very low41 Ų4185.6 Ų85.622%0.21547%0.471CS..EExtended strand (participates in β ladder)trans-77.5119.1168.4-61.9178.1000108.2V53 I58 V73V53-L70 HydrophobicContact CB-CD2 4.46Å; V53-L70 HydrophobicContact CG1-CD2 3.74Å; V53-L70 HydrophobicContact CG2-CD1 4.29Å; V53-L70 HydrophobicContact CG2-CD2 4Å; I58-L70 HydrophobicContact CG1-CD2 4.15Å; L70-V73 HydrophobicContact CB-CG2 3.6Å; L70-V73 HydrophobicContact CD1-CG2 4.47Å
71I39.1Very low38.1Very low96 Ų9682 Ų8249%0.49246%0.46SS..SBendtrans-96.7133.2173.6-62.7-173.4000107.7D57 A59 V69D57-I71 CarbonylContact C-O 3.46Å; D57-I71 VanDerWaalsContact CB-O 3.3Å; D57-I71 WeakPolarHBondContact CB-O 3.1Å; D57-I71 PolarHBondContact O-N 3.15Å; A59-I71 HydrophobicContact CB-CD1 3.14Å; A59-I71 HydrophobicContact CB-CG1 3.7Å; V69-I71 HydrophobicContact CG1-CG1 4.42Å
72G36.2Very low38.1Very low62 Ų6282.1 Ų82.164%0.63947%0.465SS*.SBendtrans102.89175.100000115.7E74G72-E74 PolarHBondContact O-N 3.25Å
73V42Very low38.3Very low22 Ų2283.8 Ų83.813%0.13347%0.474CS..THydrogen-bonded Turntrans-83.23.6176.2-146.30000113.1I51 L70 Q75 V76 F77I51-V73 HydrophobicContact CD1-CG1 3.52Å; I51-V73 HydrophobicContact CG2-CG1 4.45Å; L70-V73 HydrophobicContact CB-CG2 3.6Å; L70-V73 HydrophobicContact CD1-CG2 4.47Å; V73-Q75 PolarHBondContact O-N 3.01Å; V73-V76 HydrophobicContact CG1-CB 4.12Å; V73-V76 HydrophobicContact CG1-CG2 4.44Å; V73-V76 PolarHBondContact O-N 2.89Å; V73-V76 VanDerWaalsContact O-N 3.13Å; V73-F77 HydrophobicContact CB-CD2 4.13Å; V73-F77 HydrophobicContact CB-CE2 4.29Å; V73-F77 HydrophobicContact CG1-CD2 3.82Å; V73-F77 HydrophobicContact CG1-CE2 3.82Å; V73-F77 PolarHBondContact O-N 3.43Å
74E36.7Very low38.4Very low133 Ų13381.6 Ų81.662%0.62146%0.458SS*.Hα-helixtrans-58.8-32.7-175.5-73.7-164.2150.400113.3S17 G72 S78S17-E74 PolarHBondContact OG-OE1 3.18Å; G72-E74 PolarHBondContact O-N 3.25Å; E74-S78 PolarHBondContact O-N 3.05Å; E74-S78 VanDerWaalsContact O-N 3.15Å
75Q34.3Very low38.4Very low166 Ų16683.7 Ų83.778%0.77645%0.452SS*.Hα-helixtrans-78.3-23179.3-68.1-149.5-900114.8V73V73-Q75 PolarHBondContact O-N 3.01Å
76V37.8Very low38Very low56 Ų5688.9 Ų88.934%0.33947%0.471SS..Hα-helixtrans-81-37.4176.8-179.40000109.9V49 I51 V73 L80V49-V76 HydrophobicContact CG1-CG1 4.19Å; I51-V76 HydrophobicContact CD1-CB 4.47Å; I51-V76 HydrophobicContact CD1-CG1 4.09Å; V73-V76 HydrophobicContact CG1-CB 4.12Å; V73-V76 HydrophobicContact CG1-CG2 4.44Å; V73-V76 PolarHBondContact O-N 2.89Å; V73-V76 VanDerWaalsContact O-N 3.13Å; V76-L80 PolarHBondContact O-N 3.28Å
77F39.7Very low37.8Very low86 Ų8687.3 Ų87.338%0.37746%0.462SS..Hα-helixtrans-72.4-32.3177-83-82.4000113V73 K79 L80 T81V73-F77 HydrophobicContact CB-CD2 4.13Å; V73-F77 HydrophobicContact CB-CE2 4.29Å; V73-F77 HydrophobicContact CG1-CD2 3.82Å; V73-F77 HydrophobicContact CG1-CE2 3.82Å; V73-F77 PolarHBondContact O-N 3.43Å; F77-K79 PolarHBondContact O-N 2.98Å; F77-L80 PolarHBondContact O-N 3.23Å; F77-T81 WeakPolarHBondContact O-CG2 3.37Å; F77-T81 PolarHBondContact O-N 2.83Å; F77-T81 PolarHBondContact O-OG1 2.96Å
78S34.6Very low37.7Very low73 Ų7391.9 Ų91.951%0.5150%0.497SS..Hα-helixtrans-65.7-22.4178.485.10000113.9E74 T81E74-S78 PolarHBondContact O-N 3.05Å; E74-S78 VanDerWaalsContact O-N 3.15Å; S78-T81 WeakPolarHBondContact CA-OG1 3.46Å; S78-T81 PolarHBondContact O-OG1 2.04Å
79K31.9Very low37.3Very low167 Ų16793.8 Ų93.873%0.72652%0.516SS*.Hα-helixtrans-87.6-19.4171.9-90.4-177.9175-179.80113.7F77 T82F77-K79 PolarHBondContact O-N 2.98Å; K79-T82 PolarHBondContact O-OG1 3.18Å
80L38.4Very low36.8Very low38 Ų3899.3 Ų99.320%0.19955%0.554CS.*Hα-helixtrans-90-28176.2-116.285000112.5I42 V76 F77 T82 L83 L84I42-L80 HydrophobicContact CD1-CD2 3.81Å; V76-L80 PolarHBondContact O-N 3.28Å; F77-L80 PolarHBondContact O-N 3.23Å; L80-T82 PolarHBondContact O-N 3.14Å; L80-L83 PolarHBondContact O-N 2.64Å; L80-L84 HydrophobicContact CD2-CD1 3.64Å; L80-L84 HydrophobicContact CG-CD1 4.06Å; L80-L84 PolarHBondContact O-N 2.96Å
81T41.2Very low36.4Very low82 Ų82100 Ų10050%0.50356%0.56SS.*THydrogen-bonded Turntrans-65.6-22.5-178.838.40000113.6F77 S78 L83F77-T81 WeakPolarHBondContact O-CG2 3.37Å; F77-T81 PolarHBondContact O-N 2.83Å; F77-T81 PolarHBondContact O-OG1 2.96Å; S78-T81 WeakPolarHBondContact CA-OG1 3.46Å; S78-T81 PolarHBondContact O-OG1 2.04Å; T81-L83 VanDerWaalsContact C-N 3.27Å; T81-L83 PolarHBondContact O-N 2.83Å
82T38Very low36.1Very low121 Ų121101 Ų10174%0.74257%0.57SS**THydrogen-bonded Turntrans-75.6-12.6172.542.50000113.8K79 L80K79-T82 PolarHBondContact O-OG1 3.18Å; L80-T82 PolarHBondContact O-N 3.14Å
83L36.1Very low36Very low150 Ų15099.7 Ų99.779%0.78555%0.549SS*.THydrogen-bonded Turntrans-110.3-13.6179.1-91.6154.5000113.9L80 T81L80-L83 PolarHBondContact O-N 2.64Å; T81-L83 VanDerWaalsContact C-N 3.27Å; T81-L83 PolarHBondContact O-N 2.83Å
84L36.7Very low35.6Very low48 Ų48101.5 Ų101.525%0.25156%0.563SS.*  trans-130.870.3-169.7-70162.9000111.4L45 L80 E86 L87L45-L84 HydrophobicContact CD1-CD1 3.98Å; L45-L84 HydrophobicContact CD1-CD2 3.99Å; L45-L84 HydrophobicContact CD1-CG 4.48Å; L80-L84 HydrophobicContact CD2-CD1 3.64Å; L80-L84 HydrophobicContact CG-CD1 4.06Å; L80-L84 PolarHBondContact O-N 2.96Å; L84-E86 PolarHBondContact O-N 2.79Å; L84-L87 HydrophobicContact CB-CD1 4.21Å; L84-L87 HydrophobicContact CD1-CD1 3.84Å; L84-L87 HydrophobicContact CD2-CD1 3.78Å; L84-L87 HydrophobicContact CD2-CG 4.26Å; L84-L87 HydrophobicContact CG-CD1 4.15Å
85H35.5Very low35.5Very low186 Ų18697 Ų9786%0.86154%0.544SS*.THydrogen-bonded Turntrans-77.810.3170.5-127.6-70.6000113.6
86E32.4Very low35.4Very low159 Ų15995.2 Ų95.274%0.74354%0.535SS*.THydrogen-bonded Turntrans-133.614.4-168.1-100.1-168.3-17700116.3L84 S88L84-E86 PolarHBondContact O-N 2.79Å; E86-S88 PolarHBondContact O-N 2.76Å
87L34.5Very low35.4Very low67 Ų6798.4 Ų98.435%0.35155%0.547SS..  trans-94.876.1175.6-74.1168.7000111.6I42 L84 A89I42-L87 HydrophobicContact CG2-CD1 4.19Å; L84-L87 HydrophobicContact CB-CD1 4.21Å; L84-L87 HydrophobicContact CD1-CD1 3.84Å; L84-L87 HydrophobicContact CD2-CD1 3.78Å; L84-L87 HydrophobicContact CD2-CG 4.26Å; L84-L87 HydrophobicContact CG-CD1 4.15Å; L87-A89 VanDerWaalsContact C-N 3.26Å; L87-A89 PolarHBondContact O-N 3.47Å
88S35.7Very low35.6Very low128 Ų128100.9 Ų100.990%0.89555%0.553SS**  trans-8624.217155.70000114E86E86-S88 PolarHBondContact O-N 2.76Å
89A35.2Very low36.4Very low65 Ų65107 Ų10754%0.53757%0.571SS.*SBendtrans-139.7123.317700000110.8L87 T91L87-A89 VanDerWaalsContact C-N 3.26Å; L87-A89 PolarHBondContact O-N 3.47Å; A89-T91 PolarHBondContact O-N 2.9Å
90C33.8Very low38Very low140 Ų140100 Ų10095%0.94654%0.541SS*.  trans-50.698170.5-76.90000110
91T34.4Very low39.8Very low55 Ų55100.6 Ų100.634%0.33754%0.541SS..  trans-76.5127.2176.114.10000108.2S43 A89 L93S43-T91 WeakPolarHBondContact OG-CG2 3.41Å; A89-T91 PolarHBondContact O-N 2.9Å; T91-L93 PolarHBondContact O-N 2.79Å; T91-L93 VanDerWaalsContact O-N 3.17Å
92V34.1Very low41.7Very low116 Ų11698.3 Ų98.370%0.70353%0.53SS*.  trans-66.9114178.7177.20000108.6S94V92-S94 PolarHBondContact O-N 2.79Å
93L34.1Very low44Very low36 Ų3693.6 Ų93.619%0.18850%0.5CS..  trans-84102.2177.8-78.6153.8000109.7V21 L40 T91 V95V21-L93 HydrophobicContact CG1-CB 4.2Å; V21-L93 HydrophobicContact CG2-CB 4.3Å; V21-L93 HydrophobicContact CG2-CD1 4.08Å; L40-L93 HydrophobicContact CB-CD2 4.48Å; L40-L93 HydrophobicContact CD2-CD2 3.17Å; L40-L93 HydrophobicContact CG-CD2 4.33Å; T91-L93 PolarHBondContact O-N 2.79Å; T91-L93 VanDerWaalsContact O-N 3.17Å; L93-V95 PolarHBondContact O-N 2.88Å
94S31.8Very low46.4Very low60 Ų6092.6 Ų92.642%0.4249%0.491SS..  trans-82.4112.317155.30000110V92 H96V92-S94 PolarHBondContact O-N 2.79Å; S94-H96 PolarHBondContact O-N 3.48Å
95V35Very low48.5Very low38 Ų3892.1 Ų92.123%0.2349%0.488CS..  trans-88.9102.5173.4179.80000108.5V21 L24 V38 L93V21-V95 HydrophobicContact CG1-CG2 3.78Å; L24-V95 HydrophobicContact CD1-CG2 4.16Å; L24-V95 HydrophobicContact CD2-CB 4.08Å; L24-V95 HydrophobicContact CD2-CG1 3.94Å; L24-V95 HydrophobicContact CG-CB 4.33Å; L24-V95 HydrophobicContact CG-CG2 4.36Å; V38-V95 HydrophobicContact CG1-CG1 4.15Å; V38-V95 HydrophobicContact CG1-CG2 4.04Å; V38-V95 HydrophobicContact CG2-CG1 4.34Å; L93-V95 PolarHBondContact O-N 2.88Å
96H32.1Very low50.2Low129 Ų12994.9 Ų94.960%0.59749%0.491SS*.  trans-91.4117.6170.4-93-74.1000110.4S94 W98S94-H96 PolarHBondContact O-N 3.48Å; H96-W98 PolarHBondContact O-N 3.13Å
97Q38.9Very low51.7Low123 Ų12390.7 Ų90.758%0.57548%0.477SS*.  trans-70111.1167.6-177.3179.25.800108.8
98W43.7Very low53.4Low137 Ų13793 Ų9352%0.51949%0.489SS..  trans-85134.3170-75.848.9000110.1K39 H96 E100K39-W98 HydrophobicContact CD-CZ2 4.16Å; H96-W98 PolarHBondContact O-N 3.13Å; W98-E100 HydrophobicContact CB-CB 4.05Å; W98-E100 HydrophobicContact CB-CG 3.69Å; W98-E100 HydrophobicContact CD2-CG 3.99Å; W98-E100 VanDerWaalsContact CD2-OE1 3.31Å; W98-E100 HydrophobicContact CE3-CG 3.44Å; W98-E100 VanDerWaalsContact CE3-CG 3.44Å; W98-E100 HydrophobicContact CG-CG 4.18Å; W98-E100 HydrophobicContact CZ3-CG 4.26Å; W98-E100 PolarHBondContact O-N 2.84Å
99K50.3Low54.8Low201 Ų20192 Ų9287%0.87447%0.466SS*.  trans-83.768.8157.1-67.3-177.8-178.9178.80107.3Y101K99-Y101 VanDerWaalsContact C-N 3.33Å; K99-Y101 PolarHBondContact O-N 2.88Å
100E67.2Low56.8Low20 Ų2089.2 Ų89.29%0.09344%0.442CS..  trans-71.6-26.3-164.5-118.7161.8-165.300114.4W98 R123 P125W98-E100 HydrophobicContact CB-CB 4.05Å; W98-E100 HydrophobicContact CB-CG 3.69Å; W98-E100 HydrophobicContact CD2-CG 3.99Å; W98-E100 VanDerWaalsContact CD2-OE1 3.31Å; W98-E100 HydrophobicContact CE3-CG 3.44Å; W98-E100 VanDerWaalsContact CE3-CG 3.44Å; W98-E100 HydrophobicContact CG-CG 4.18Å; W98-E100 HydrophobicContact CZ3-CG 4.26Å; W98-E100 PolarHBondContact O-N 2.84Å; E100-R123 CarbonylContact O-C 3.52Å; E100-P125 HydrophobicContact CB-CG 4.19Å; E100-P125 VanDerWaalsContact CD-CB 3.49Å; E100-P125 HydrophobicContact CG-CB 3.87Å; E100-P125 HydrophobicContact CG-CG 4.06Å
101Y75.6Confident58.7Low52 Ų5284.7 Ų84.720%0.20441%0.406CS..  trans-104.3111.2-178.3-61.4-78000110.1K99 R123 T124 P125 H134 M188 H200K99-Y101 VanDerWaalsContact C-N 3.33Å; K99-Y101 PolarHBondContact O-N 2.88Å; Y101-R123 WeakPolarHBondContact CA-O 3.43Å; Y101-T124 HydrophobicContact CD1-CG2 4.22Å; Y101-T124 HydrophobicContact CE1-CG2 4.29Å; Y101-P125 HydrophobicContact CE1-CG 3.95Å; Y101-P125 HydrophobicContact CE2-CG 4.21Å; Y101-P125 VanDerWaalsContact CZ-CD 3.47Å; Y101-P125 WeakPolarHBondContact OH-CG 3.47Å; Y101-H134 AromaticContact CE1-CE1 3.68Å; Y101-H134 AromaticContact CE1-ND1 3.99Å; Y101-H134 PolarHBondContact OH-CE1 3.39Å; Y101-M188 HydrophobicContact CD1-CG 4.43Å; Y101-M188 HydrophobicContact CD1-SD 3.48Å; Y101-M188 WeakPolarHBondContact CD1-SD 3.34Å; Y101-M188 HydrophobicContact CE1-SD 4.49Å; Y101-M188 HydrophobicContact CG-SD 4.07Å; Y101-H200 HydrophobicContact CD1-CB 3.96Å; Y101-H200 HydrophobicContact CD2-CB 3.55Å; Y101-H200 AromaticContact CD2-CG 3.58Å; Y101-H200 AromaticContact CD2-ND1 3.65Å; Y101-H200 HydrophobicContact CE1-CB 4.45Å; Y101-H200 AromaticContact CE1-CD2 3.86Å; Y101-H200 HydrophobicContact CE2-CB 4.13Å; Y101-H200 AromaticContact CE2-CE1 3.72Å; Y101-H200 AromaticContact CE2-CG 3.62Å; Y101-H200 AromaticContact CE2-ND1 3.39Å; Y101-H200 WeakPolarHBondContact CE2-ND1 3.39Å; Y101-H200 HydrophobicContact CG-CB 3.43Å; Y101-H200 VanDerWaalsContact CG-CB 3.43Å; Y101-H200 AromaticContact CG-CG 3.78Å; Y101-H200 AromaticContact CZ-CD2 3.83Å; Y101-H200 AromaticContact CZ-CE1 3.8Å; Y101-H200 AromaticContact CZ-CG 3.83Å; Y101-H200 AromaticContact CZ-ND1 3.84Å; Y101-H200 AromaticContact CZ-NE2 3.81Å
102A81Confident60.4Low33 Ų3386.6 Ų86.627%0.27342%0.42SS..EExtended strand (participates in β ladder)trans-128.1137.7177.600000110.5T122 R123A102-T122 WeakPolarHBondContact O-CA 3.08Å; A102-R123 HydrophobicContact CB-CB 4.36Å; A102-R123 PolarHBondContact N-O 3.39Å; A102-R123 VanDerWaalsContact N-O 3.11Å; A102-R123 PolarHBondContact O-N 3.36Å
103I86.6Confident62.5Low23 Ų2382.5 Ų82.512%0.11840%0.396CS..EExtended strand (participates in β ladder)trans-111.8119170.8-57171.3000106.6M105 V120 L136 F186 M188 A201 R203I103-M105 HydrophobicContact CG2-CE 4.34Å; I103-V120 HydrophobicContact CG2-CG1 3.62Å; I103-L136 HydrophobicContact CD1-CD1 3.91Å; I103-L136 HydrophobicContact CG1-CD1 4.25Å; I103-F186 HydrophobicContact CD1-CB 4.41Å; I103-F186 WeakPolarHBondContact CD1-O 3.33Å; I103-F186 HydrophobicContact CG2-CB 4.33Å; I103-M188 HydrophobicContact CD1-CB 3.99Å; I103-M188 HydrophobicContact CG1-CB 4.28Å; I103-M188 HydrophobicContact CG1-CE 4.03Å; I103-A201 HydrophobicContact CD1-CB 4.04Å; I103-A201 HydrophobicContact CG1-CB 4.18Å; I103-R203 HydrophobicContact CB-CB 4.17Å; I103-R203 HydrophobicContact CD1-CB 4.44Å; I103-R203 HydrophobicContact CG2-CB 4.15Å
104Q86Confident64.3Low128 Ų12888.3 Ų88.360%0.59842%0.422SS*.EExtended strand (participates in β ladder)trans-119.3134.7178.3-71.2-177.9-30.700109.6S121Q104-S121 PolarHBondContact N-O 3.41Å; Q104-S121 PolarHBondContact O-N 2.88Å
105M81.6Confident66.4Low38 Ų3888.9 Ų88.919%0.18744%0.437CS..EExtended strand (participates in β ladder)trans-125.9142178.9-45.1-165.9-132.200108I103 T107 V120 F186 R203 V205I103-M105 HydrophobicContact CG2-CE 4.34Å; M105-T107 VanDerWaalsContact C-N 3.27Å; M105-V120 HydrophobicContact CG-CG1 4.41Å; M105-F186 HydrophobicContact CE-CD2 3.61Å; M105-F186 HydrophobicContact CE-CE2 4.1Å; M105-F186 HydrophobicContact CE-CG 4.47Å; M105-F186 HydrophobicContact SD-CD2 3.64Å; M105-F186 HydrophobicContact SD-CE2 3.57Å; M105-F186 VanDerWaalsContact SD-CE2 3.57Å; M105-F186 HydrophobicContact SD-CZ 4.41Å; M105-R203 HydrophobicContact CE-CB 3.57Å; M105-R203 HydrophobicContact CE-CG 3.03Å; M105-V205 HydrophobicContact CE-CG2 3.31Å; M105-V205 HydrophobicContact SD-CG2 3.44Å; M105-V205 WeakPolarHBondContact SD-CG2 3.2Å
106R69.4Low68.5Low244 Ų24493.6 Ų93.692%0.92146%0.46SS*.SBendtrans-73.5-25.6179.2-151.1175.9-177141.5-0.3111.8
107T65.8Low71Confident72 Ų7288.3 Ų88.344%0.44244%0.44SS..  trans-121.3135.4-176.958.20000110.9M105 R109M105-T107 VanDerWaalsContact C-N 3.27Å; T107-R109 VanDerWaalsContact CB-O 3.28Å; T107-R109 WeakPolarHBondContact CB-O 3.43Å; T107-R109 PolarHBondContact O-N 3.4Å; T107-R109 PolarHBondContact OG1-O 3.44Å
108D68.8Low73.3Confident115 Ų11583.1 Ų83.162%0.61542%0.416SS*.SBendtrans-78.810.6169.4-64.6-30.7000112.3V205D108-V205 VanDerWaalsContact C-CG1 3.49Å; D108-V205 WeakPolarHBondContact O-CG1 3.41Å
109R66.5Low75.4Confident106 Ų10679.6 Ų79.640%0.441%0.412SS..  trans-144140.2-171.5-50.1-177.1-153.3-136.80.6109.3T107 K210T107-R109 VanDerWaalsContact CB-O 3.28Å; T107-R109 WeakPolarHBondContact CB-O 3.43Å; T107-R109 PolarHBondContact O-N 3.4Å; T107-R109 PolarHBondContact OG1-O 3.44Å; R109-K210 PolarHBondContact NH1-O 3.22Å; R109-K210 VanDerWaalsContact NH1-O 3.09Å
110L76.7Confident77.4Confident7 Ų770 Ų704%0.03737%0.37CS..  trans-85-34.1173.3-81.4113.3000113.2I118 F177 Y184 V205 T207L110-I118 HydrophobicContact CB-CD1 3.88Å; L110-I118 HydrophobicContact CD2-CD1 3.39Å; L110-I118 HydrophobicContact CG-CD1 3.63Å; L110-F177 HydrophobicContact CD2-CB 4.24Å; L110-F177 HydrophobicContact CD2-CD1 3.04Å; L110-F177 HydrophobicContact CD2-CD2 4.22Å; L110-F177 HydrophobicContact CD2-CE1 3.21Å; L110-F177 HydrophobicContact CD2-CE2 4.39Å; L110-F177 HydrophobicContact CD2-CG 3.57Å; L110-F177 HydrophobicContact CD2-CZ 3.92Å; L110-Y184 HydrophobicContact CD1-CD2 4.16Å; L110-Y184 HydrophobicContact CD1-CG 4.45Å; L110-Y184 HydrophobicContact CD2-CD2 4.01Å; L110-Y184 HydrophobicContact CD2-CG 4.1Å; L110-V205 HydrophobicContact CD1-CB 3.6Å; L110-V205 HydrophobicContact CD1-CG1 3.66Å; L110-V205 HydrophobicContact CG-CG1 4.43Å; L110-T207 HydrophobicContact CD1-CG2 4.3Å
111F73.7Confident78.5Confident45 Ų4570.7 Ų70.720%0.19738%0.377CS..  trans-111.6143.1-176.5-70.3-80000111.6F177 L179 T207F111-F177 HydrophobicContact CE2-CB 4.31Å; F111-F177 HydrophobicContact CZ-CB 3.86Å; F111-L179 HydrophobicContact CB-CD2 4.36Å; F111-L179 HydrophobicContact CD1-CD2 4.23Å; F111-L179 HydrophobicContact CD1-CG 4.42Å; F111-L179 HydrophobicContact CD2-CD2 3.5Å; F111-L179 HydrophobicContact CD2-CG 4.21Å; F111-L179 HydrophobicContact CE1-CD2 4.43Å; F111-L179 HydrophobicContact CE1-CG 4.2Å; F111-L179 HydrophobicContact CE2-CD2 3.73Å; F111-L179 HydrophobicContact CE2-CG 3.97Å; F111-L179 HydrophobicContact CG-CD2 3.78Å; F111-L179 HydrophobicContact CG-CG 4.42Å; F111-L179 HydrophobicContact CZ-CD2 4.19Å; F111-L179 HydrophobicContact CZ-CG 3.96Å; F111-T207 HydrophobicContact CD2-CG2 4.06Å; F111-T207 HydrophobicContact CE2-CG2 3.77Å
112P69.6Low79.2Confident96 Ų9668.2 Ų68.262%0.62337%0.368SS*.SBendcis-73134.8-1.730.3-32.9000111.9E114P112-E114 HydrophobicContact CB-CG 4.27Å; P112-E114 PolarHBondContact O-N 2.89Å
113C78.4Confident79.3Confident29 Ų2974 Ų7420%0.19638%0.382CS..  trans-84.295174.5-169.90000107.4C174C113-C174 HydrophobicContact CB-CB 3.82Å; C113-C174 WeakPolarHBondContact CB-SG 3.21Å; C113-C174 PolarHBondContact O-SG 2.92Å; C113-C174 VanDerWaalsContact O-SG 3.39Å; C113-C174 WeakPolarHBondContact SG-CA 3.22Å; C113-C174 WeakPolarHBondContact SG-CB 3.44Å; C113-C174 CovalentContact SG-SG 2.04Å; C113-C174 PolarHBondContact SG-SG 3.19Å
114E72.5Confident78.9Confident159 Ų15973 Ų7374%0.74338%0.377SS*.  trans-103.7138.4-180-71.9177.9-176.500110.7P112P112-E114 HydrophobicContact CB-CG 4.27Å; P112-E114 PolarHBondContact O-N 2.89Å
115G75Confident78.2Confident71 Ų7167.1 Ų67.173%0.73235%0.351SS*.SBendtrans89.1-141178.300000114.3G117G115-G117 VanDerWaalsContact C-N 3.28Å; G115-G117 PolarHBondContact O-N 2.8Å
116I78.8Confident77.4Confident138 Ų13871.8 Ų71.871%0.70838%0.376SS*.SBendtrans-78.2-13-170.6-57.8168.9000112.1
117G84.7Confident77Confident18 Ų1863.1 Ų63.119%0.18635%0.352CS..  trans135.5-161.5-176.600000113.3G115 F172G115-G117 VanDerWaalsContact C-N 3.28Å; G115-G117 PolarHBondContact O-N 2.8Å; G117-F172 CarbonylContact C-O 3.58Å; G117-F172 WeakPolarHBondContact CA-O 3.17Å
118I87.5Confident76.8Confident14 Ų1460.8 Ų60.87%0.07234%0.339CS..EExtended strand (participates in β ladder)trans-101.7118.6-179.8-57.9-176.1000109.7L110 V120 N171 F172 F177L110-I118 HydrophobicContact CB-CD1 3.88Å; L110-I118 HydrophobicContact CD2-CD1 3.39Å; L110-I118 HydrophobicContact CG-CD1 3.63Å; I118-V120 HydrophobicContact CG2-CG2 4.37Å; I118-N171 WeakPolarHBondContact O-CA 3.16Å; I118-F172 PolarHBondContact N-O 2.9Å; I118-F172 PolarHBondContact O-N 3.25Å; I118-F177 HydrophobicContact CB-CE2 3.96Å; I118-F177 HydrophobicContact CB-CZ 4.18Å; I118-F177 HydrophobicContact CD1-CD2 3.76Å; I118-F177 HydrophobicContact CD1-CE1 4.28Å; I118-F177 HydrophobicContact CD1-CE2 3.48Å; I118-F177 VanDerWaalsContact CD1-CE2 3.48Å; I118-F177 HydrophobicContact CD1-CG 4.29Å; I118-F177 HydrophobicContact CD1-CZ 3.75Å; I118-F177 HydrophobicContact CG1-CD2 4.19Å; I118-F177 HydrophobicContact CG1-CE2 3.68Å; I118-F177 HydrophobicContact CG1-CZ 4.21Å
119S88.8Confident76.3Confident62 Ų6258.7 Ų58.743%0.43433%0.333SS..EExtended strand (participates in β ladder)trans-86.7123.9174.4-56.80000111.3V170 N171S119-V170 WeakPolarHBondContact CA-O 3.42Å; S119-N171 VanDerWaalsContact CA-OD1 3.31Å; S119-N171 WeakPolarHBondContact CA-OD1 3.29Å; S119-N171 WeakPolarHBondContact CB-OD1 3.36Å; S119-N171 PolarHBondContact OG-OD1 2.83Å
120V91.1Very high75.9Confident0 Ų061.4 Ų61.40%036%0.356CS..EExtended strand (participates in β ladder)trans-113.3122.3175.3-1750000108.8I103 M105 I118 T122 L136 V169 V170 F172 F186I103-V120 HydrophobicContact CG2-CG1 3.62Å; M105-V120 HydrophobicContact CG-CG1 4.41Å; I118-V120 HydrophobicContact CG2-CG2 4.37Å; V120-T122 HydrophobicContact CG1-CG2 4.22Å; V120-L136 HydrophobicContact CB-CD2 4.01Å; V120-L136 HydrophobicContact CG1-CD2 3.73Å; V120-V169 WeakPolarHBondContact O-CA 3.45Å; V120-V170 HydrophobicContact CB-CG2 4.29Å; V120-V170 PolarHBondContact N-O 3.34Å; V120-V170 PolarHBondContact O-N 3.2Å; V120-F172 HydrophobicContact CG2-CD2 4.39Å; V120-F186 HydrophobicContact CG2-CD1 3.84Å; V120-F186 HydrophobicContact CG2-CE1 3.54Å; V120-F186 HydrophobicContact CG2-CG 4.46Å; V120-F186 HydrophobicContact CG2-CZ 3.96Å
121S90.4Very high75.4Confident34 Ų3465.5 Ų65.524%0.23838%0.381CS..EExtended strand (participates in β ladder)trans-88131.6171.8178.10000109Q104Q104-S121 PolarHBondContact N-O 3.41Å; Q104-S121 PolarHBondContact O-N 2.88Å
122T90Very high75.2Confident0 Ų065 Ų650%038%0.381CS..EExtended strand (participates in β ladder)trans-126.3141178.957.60000109.2A102 V120 L136 L163 V167 S168 M188A102-T122 WeakPolarHBondContact O-CA 3.08Å; V120-T122 HydrophobicContact CG1-CG2 4.22Å; T122-L136 HydrophobicContact CG2-CD1 4.1Å; T122-L136 HydrophobicContact CG2-CD2 3.88Å; T122-L136 HydrophobicContact CG2-CG 4.49Å; T122-L163 HydrophobicContact CG2-CD1 4.13Å; T122-L163 HydrophobicContact CG2-CD2 4.14Å; T122-L163 WeakPolarHBondContact OG1-CD2 3.25Å; T122-V167 CarbonylContact O-C 3.58Å; T122-V167 WeakPolarHBondContact O-CA 3.06Å; T122-S168 PolarHBondContact N-O 3.19Å; T122-S168 PolarHBondContact O-N 2.83Å; T122-S168 WeakPolarHBondContact OG1-CB 3.42Å; T122-S168 PolarHBondContact OG1-O 3.44Å; T122-M188 HydrophobicContact CG2-CE 3.47Å; T122-M188 VanDerWaalsContact CG2-CE 3.47Å
123R84.3Confident75.7Confident154 Ų15465 Ų6558%0.58138%0.375SS*.EExtended strand (participates in β ladder)trans-116.9122169.4-173.1177.4-85.7-176.6-7107.7E100 Y101 A102 G166 V167E100-R123 CarbonylContact O-C 3.52Å; Y101-R123 WeakPolarHBondContact CA-O 3.43Å; A102-R123 HydrophobicContact CB-CB 4.36Å; A102-R123 PolarHBondContact N-O 3.39Å; A102-R123 VanDerWaalsContact N-O 3.11Å; A102-R123 PolarHBondContact O-N 3.36Å; R123-G166 WeakPolarHBondContact CA-O 3.13Å; R123-V167 HydrophobicContact CG-CG2 4.25Å
124T78.4Confident76.1Confident2 Ų263.9 Ų63.91%0.01237%0.367CS..  trans-115158.8170.859.30000108.6Y101 N126 H134 L163 Q164 P165 G166 M188Y101-T124 HydrophobicContact CD1-CG2 4.22Å; Y101-T124 HydrophobicContact CE1-CG2 4.29Å; T124-N126 PolarHBondContact O-N 3.26Å; T124-H134 HydrophobicContact CG2-CB 4.2Å; T124-L163 HydrophobicContact CG2-CD1 4.12Å; T124-Q164 PolarHBondContact OG1-O 3.04Å; T124-P165 WeakPolarHBondContact OG1-CA 3.49Å; T124-G166 PolarHBondContact N-O 2.92Å; T124-G166 VanDerWaalsContact O-CA 3.25Å; T124-G166 WeakPolarHBondContact O-CA 3.43Å; T124-G166 PolarHBondContact O-N 3.3Å; T124-G166 PolarHBondContact OG1-N 2.94Å; T124-G166 PolarHBondContact OG1-O 3.1Å; T124-G166 VanDerWaalsContact OG1-O 3.13Å; T124-M188 HydrophobicContact CG2-CE 4.16Å; T124-M188 HydrophobicContact CG2-SD 4.02Å
125P71.3Confident77Confident6 Ų657.1 Ų57.14%0.03934%0.336CS..  trans-59.2133.6170.76.7-10000111.2E100 Y101 C127E100-P125 HydrophobicContact CB-CG 4.19Å; E100-P125 VanDerWaalsContact CD-CB 3.49Å; E100-P125 HydrophobicContact CG-CB 3.87Å; E100-P125 HydrophobicContact CG-CG 4.06Å; Y101-P125 HydrophobicContact CE1-CG 3.95Å; Y101-P125 HydrophobicContact CE2-CG 4.21Å; Y101-P125 VanDerWaalsContact CZ-CD 3.47Å; Y101-P125 WeakPolarHBondContact OH-CG 3.47Å; P125-C127 PolarHBondContact O-N 2.79Å
126N64.7Low77.8Confident136 Ų13653.8 Ų53.873%0.72730%0.301SS*.THydrogen-bonded Turntrans-66.3-17.3173.6-71.518.5000112.8T124 G166T124-N126 PolarHBondContact O-N 3.26Å; N126-G166 WeakPolarHBondContact OD1-CA 3.41Å
127C60.1Low78.5Confident61 Ų6150.1 Ų50.141%0.41228%0.279SS..THydrogen-bonded Turntrans-97.216.5-173.458.80000113.9L50 P125 S129L50-C127 HydrophobicContact CD1-CB 3.26Å; L50-C127 WeakPolarHBondContact CD1-SG 3.18Å; P125-C127 PolarHBondContact O-N 2.79Å; C127-S129 PolarHBondContact O-N 3.41Å
128S61.4Low79Confident23 Ų2349.3 Ų49.316%0.16127%0.27CS..  trans-66.7128.1175.5-156.90000110V132 H134S128-V132 WeakPolarHBondContact OG-CB 3.4Å; S128-H134 WeakPolarHBondContact CB-NE2 3.44Å; S128-H134 PolarHBondContact OG-NE2 3.26Å
129S59.2Low79.2Confident72 Ų7249.4 Ų49.450%0.50327%0.271SS..  trans-59.7146177.5173.50000110.4C127 V131 V132C127-S129 PolarHBondContact O-N 3.41Å; S129-V131 PolarHBondContact O-N 3.43Å; S129-V132 WeakPolarHBondContact O-CB 3.47Å; S129-V132 PolarHBondContact O-N 3.43Å
130D58.3Low79.2Confident162 Ų16246.5 Ų46.587%0.86625%0.25SC*.THydrogen-bonded Turntrans-54.3-19.2178.8-69.8-29.8000114.2V132D130-V132 VanDerWaalsContact C-N 3.31Å
131V66.2Low79Confident94 Ų9447.1 Ų47.157%0.5725%0.253SS*.THydrogen-bonded Turntrans-76.5-19.3176.8-173.70000112.3S129S129-V131 PolarHBondContact O-N 3.43Å
132V68.8Low78.1Confident33 Ų3350.7 Ų50.720%0.227%0.266CS..  trans-97.4106.1-173.3-175.40000109.8S128 S129 D130 L192S128-V132 WeakPolarHBondContact OG-CB 3.4Å; S129-V132 WeakPolarHBondContact O-CB 3.47Å; S129-V132 PolarHBondContact O-N 3.43Å; D130-V132 VanDerWaalsContact C-N 3.31Å; V132-L192 HydrophobicContact CG2-CG 4.34Å
133L80.6Confident77Confident96 Ų9655.8 Ų55.850%0.50329%0.293SS..EExtended strand (participates in β ladder)trans-86.6116.6177.6-67.9169.6000110.2S190 V191L133-S190 CarbonylContact O-C 3.53Å; L133-S190 WeakPolarHBondContact O-CA 3.19Å; L133-V191 HydrophobicContact CB-CB 4.48Å; L133-V191 PolarHBondContact N-O 2.62Å; L133-V191 PolarHBondContact O-N 2.96Å
134H86.4Confident75.7Confident6 Ų653.4 Ų53.43%0.02828%0.284CS..EExtended strand (participates in β ladder)trans-85.5134.1172.4-66.9-60.1000111.2Y101 T124 S128 L163Y101-H134 AromaticContact CE1-CE1 3.68Å; Y101-H134 AromaticContact CE1-ND1 3.99Å; Y101-H134 PolarHBondContact OH-CE1 3.39Å; T124-H134 HydrophobicContact CG2-CB 4.2Å; S128-H134 WeakPolarHBondContact CB-NE2 3.44Å; S128-H134 PolarHBondContact OG-NE2 3.26Å; H134-L163 HydrophobicContact CB-CB 3.87Å; H134-L163 HydrophobicContact CB-CD1 4.36Å; H134-L163 PolarHBondContact O-N 3.22Å
135Q90.6Very high74.2Confident18 Ų1859.6 Ų59.68%0.08432%0.317CS..EExtended strand (participates in β ladder)trans-136.8144.6179.7-62.9178.1-17.900110.7Q161 M188 V189Q135-Q161 CarbonylContact C-O 3.55Å; Q135-Q161 WeakPolarHBondContact CA-O 2.9Å; Q135-M188 WeakPolarHBondContact O-CA 3.31Å; Q135-V189 HydrophobicContact CB-CG2 3.98Å; Q135-V189 PolarHBondContact N-O 3.26Å; Q135-V189 PolarHBondContact O-N 3.1Å
136L93.4Very high72.8Confident0 Ų067.8 Ų67.80%035%0.348CS..EExtended strand (participates in β ladder)trans-107.2110.4169.9-168.770.2000108.9I103 V120 T122 E160 Q161 L163 V170 F172 F186 M188I103-L136 HydrophobicContact CD1-CD1 3.91Å; I103-L136 HydrophobicContact CG1-CD1 4.25Å; V120-L136 HydrophobicContact CB-CD2 4.01Å; V120-L136 HydrophobicContact CG1-CD2 3.73Å; T122-L136 HydrophobicContact CG2-CD1 4.1Å; T122-L136 HydrophobicContact CG2-CD2 3.88Å; T122-L136 HydrophobicContact CG2-CG 4.49Å; L136-E160 CarbonylContact O-C 3.58Å; L136-E160 VanDerWaalsContact O-CA 3.26Å; L136-E160 WeakPolarHBondContact O-CA 3.35Å; L136-Q161 PolarHBondContact N-O 2.97Å; L136-Q161 PolarHBondContact O-N 3.16Å; L136-L163 HydrophobicContact CB-CD1 4.15Å; L136-L163 HydrophobicContact CB-CD2 4.05Å; L136-L163 HydrophobicContact CB-CG 4.23Å; L136-V170 HydrophobicContact CD2-CG2 3.62Å; L136-F172 HydrophobicContact CD2-CE2 3.89Å; L136-F172 HydrophobicContact CD2-CZ 4.39Å; L136-F186 HydrophobicContact CD1-CB 4.2Å; L136-F186 HydrophobicContact CD2-CD1 4.22Å; L136-F186 HydrophobicContact CG-CB 4.49Å; L136-M188 HydrophobicContact CD1-CB 4.12Å
137R93.2Very high71.6Confident62 Ų6264 Ų6423%0.23433%0.332CS..EExtended strand (participates in β ladder)trans-92.3137.2178.2-62.2-177.5174.1170.15.4110.5Y157 E160 F186 R187 V189R137-Y157 HydrophobicContact CB-CD2 4.47Å; R137-Y157 HydrophobicContact CB-CE2 4.05Å; R137-Y157 HydrophobicContact CG-CE2 3.9Å; R137-E160 HydrophobicContact CG-CB 4.34Å; R137-F186 CarbonylContact O-C 3.51Å; R137-F186 WeakPolarHBondContact O-CA 3.28Å; R137-R187 HydrophobicContact CB-CB 4.5Å; R137-R187 PolarHBondContact N-O 3.29Å; R137-R187 PolarHBondContact O-N 2.73Å; R137-V189 HydrophobicContact CG-CG2 4.21Å
138L93.8Very high70.7Confident0 Ų066.3 Ų66.30%035%0.346CS..EExtended strand (participates in β ladder)trans-103.8123.3175.4-179.161.5000109.6V158 G159 F172 F177 Y184 F186L138-V158 HydrophobicContact CD2-CB 4.35Å; L138-V158 HydrophobicContact CG-CB 4.28Å; L138-V158 PolarHBondContact O-N 3.41Å; L138-G159 PolarHBondContact N-O 3.02Å; L138-F172 HydrophobicContact CB-CD1 4.43Å; L138-F172 HydrophobicContact CB-CE1 3.96Å; L138-F172 HydrophobicContact CB-CZ 4.26Å; L138-F172 HydrophobicContact CD2-CD1 3.92Å; L138-F172 HydrophobicContact CD2-CE1 4.3Å; L138-F172 HydrophobicContact CD2-CG 4.31Å; L138-F177 HydrophobicContact CD1-CE1 3.98Å; L138-F177 HydrophobicContact CD2-CD1 4.32Å; L138-F177 HydrophobicContact CD2-CE1 3.52Å; L138-F177 HydrophobicContact CD2-CZ 3.91Å; L138-F177 HydrophobicContact CG-CE1 4.36Å; L138-Y184 HydrophobicContact CD1-CD1 3.87Å; L138-Y184 HydrophobicContact CD1-CG 4.49Å; L138-Y184 HydrophobicContact CD2-CD1 4.41Å; L138-Y184 HydrophobicContact CG-CD1 4.15Å; L138-F186 HydrophobicContact CD1-CD1 3.83Å; L138-F186 HydrophobicContact CD1-CE1 3.56Å; L138-F186 HydrophobicContact CD1-CE2 4.37Å; L138-F186 HydrophobicContact CD1-CG 4.35Å; L138-F186 HydrophobicContact CD1-CZ 3.86Å
139L92Very high70.1Confident17 Ų1772.5 Ų72.59%0.08938%0.376CS..EExtended strand (participates in β ladder)trans-119.6129.9178.9-60.4124.4000110.4I156 Y184 C185 R187L139-I156 CarbonylContact C-O 3.56Å; L139-I156 WeakPolarHBondContact CA-O 3.47Å; L139-Y184 CarbonylContact O-C 3.6Å; L139-Y184 VanDerWaalsContact O-CA 3.31Å; L139-Y184 WeakPolarHBondContact O-CA 3.48Å; L139-C185 HydrophobicContact CB-CB 4.43Å; L139-C185 PolarHBondContact N-O 3.49Å; L139-C185 PolarHBondContact O-N 3.5Å; L139-R187 HydrophobicContact CD1-CB 3.76Å
140A89.9Confident69.2Low0 Ų073.9 Ų73.90%038%0.375CS..EExtended strand (participates in β ladder)trans-93.7125.2170.500000109.4G155 I156 V158 Y181 Y184A140-G155 CarbonylContact O-C 3.5Å; A140-G155 VanDerWaalsContact O-CA 3.28Å; A140-G155 WeakPolarHBondContact O-CA 3.49Å; A140-I156 PolarHBondContact N-O 3Å; A140-I156 PolarHBondContact O-N 2.83Å; A140-V158 HydrophobicContact CB-CG2 3.4Å; A140-V158 VanDerWaalsContact CB-CG2 3.4Å; A140-V158 VanDerWaalsContact N-CG2 3.26Å; A140-Y181 HydrophobicContact CB-CD1 3.78Å; A140-Y181 HydrophobicContact CB-CD2 3.82Å; A140-Y181 HydrophobicContact CB-CE1 4.09Å; A140-Y181 HydrophobicContact CB-CE2 4.1Å; A140-Y181 HydrophobicContact CB-CG 3.63Å; A140-Y184 HydrophobicContact CB-CD1 4.07Å; A140-Y184 HydrophobicContact CB-CE1 3.67Å
141I85.4Confident68.7Low13 Ų1372.7 Ų72.77%0.06737%0.373CS..EExtended strand (participates in β ladder)trans-85.1119.7-179.2-55.2-53.1000109.3R153 P182 E183I141-R153 HydrophobicContact CD1-CB 4.42Å; I141-R153 HydrophobicContact CG2-CB 4.21Å; I141-R153 HydrophobicContact CG2-CG 4.43Å; I141-P182 VanDerWaalsContact O-CD 3.3Å; I141-P182 WeakPolarHBondContact O-CD 3.38Å; I141-E183 HydrophobicContact CB-CB 4.24Å; I141-E183 HydrophobicContact CG1-CB 4.2Å; I141-E183 PolarHBondContact N-O 3.48Å
142Q73.2Confident68.1Low109 Ų10976.6 Ų76.651%0.50938%0.383SS..  trans-110.371.4-179.6-166.2-178.628.600108.4R154 I156 Y181Q142-R154 PolarHBondContact N-O 2.8Å; Q142-I156 HydrophobicContact CB-CD1 4Å; Q142-I156 HydrophobicContact CB-CG1 4.15Å; Q142-I156 HydrophobicContact CG-CD1 4.3Å; Q142-Y181 HydrophobicContact CB-CD1 4.24Å; Q142-Y181 HydrophobicContact CB-CE1 4.07Å; Q142-Y181 HydrophobicContact CG-CE1 4.11Å
143D66.3Low67.7Low107 Ų10782.5 Ų82.557%0.57240%0.401SS*.  trans174.3133.9152.8-98.8-37.4000112.2
144R56Low66.9Low105 Ų10585.6 Ų85.640%0.39641%0.406SS..  trans-103.8-7.6158.7-78.8-170.3173.9174.7-2.4112.5Y146 P182 E208R144-Y146 PolarHBondContact O-N 3.24Å; R144-P182 HydrophobicContact CG-CB 4.3Å; R144-P182 HydrophobicContact CG-CG 4.15Å; R144-E208 IonicContact CZ-OE1 3.79Å; R144-E208 IonicContact CZ-OE2 3.08Å; R144-E208 VanDerWaalsContact NH1-CD 3.26Å; R144-E208 IonicContact NH1-OE1 3.98Å; R144-E208 PolarHBondContact NH1-OE1 3Å; R144-E208 IonicContact NH1-OE2 3.28Å; R144-E208 PolarHBondContact NH1-OE2 2.84Å; R144-E208 VanDerWaalsContact NH1-OE2 3.16Å; R144-E208 IonicContact NH2-OE1 2.74Å; R144-E208 PolarHBondContact NH2-OE1 2.99Å; R144-E208 IonicContact NH2-OE2 2.75Å; R144-E208 PolarHBondContact NH2-OE2 2.95Å
145L46.6Very low66.3Low132 Ų13286.7 Ų86.769%0.69142%0.42SS*.SBendtrans-85.697.5-179.2-79.1153.2000108.6S147L145-S147 PolarHBondContact O-N 3.27Å
146Y43.3Very low66.2Low177 Ų17788.8 Ų88.869%0.69443%0.431SS*.  trans-52.8102.3173.2-159.3-90.3000109.7R144R144-Y146 PolarHBondContact O-N 3.24Å
147S38.3Very low66Low57 Ų5794 Ų9440%0.39945%0.451SS..  trans-77.3122.9158.21760000107.2L145 I149 E150L145-S147 PolarHBondContact O-N 3.27Å; S147-I149 PolarHBondContact O-N 2.79Å; S147-I149 PolarHBondContact OG-N 2.87Å; S147-E150 PolarHBondContact O-N 2.82Å
148P41.6Very low65.9Low109 Ų10993.1 Ų93.171%0.70845%0.453SS*.THydrogen-bonded Turntrans-60.3-13.3176.3-16.928.2000113.4
149I48.2Very low65.8Low153 Ų15393.5 Ų93.579%0.78546%0.456SS*.THydrogen-bonded Turntrans-100.9-23.8-167.6-57173000111.5S147S147-I149 PolarHBondContact O-N 2.79Å; S147-I149 PolarHBondContact OG-N 2.87Å
150E42Very low65.9Low102 Ų10296.1 Ų96.148%0.47747%0.468SS..  trans-126.696.4179.1-82.1-175.2165.300111.2S147 K152 R154S147-E150 PolarHBondContact O-N 2.82Å; E150-K152 PolarHBondContact O-N 2.76Å; E150-K152 VanDerWaalsContact O-N 3.1Å; E150-R154 VanDerWaalsContact CD-NH2 3.26Å; E150-R154 IonicContact OE1-NH2 3.03Å; E150-R154 PolarHBondContact OE1-NH2 2.9Å; E150-R154 IonicContact OE2-CZ 3.18Å; E150-R154 IonicContact OE2-NE 3.02Å; E150-R154 PolarHBondContact OE2-NE 2.8Å; E150-R154 IonicContact OE2-NH2 2.7Å; E150-R154 PolarHBondContact OE2-NH2 2.84Å
151T47.6Very low66Low136 Ų136100.3 Ų100.383%0.83449%0.488SS*.  trans-725.3176.745.70000114.1
152K53.6Low66.3Low177 Ų177108.4 Ų108.477%0.7752%0.518SS*.SBendtrans-103.8107.5-174.5-141.2175.8-173.3179.20109.5E150 R154E150-K152 PolarHBondContact O-N 2.76Å; E150-K152 VanDerWaalsContact O-N 3.1Å; K152-R154 PolarHBondContact O-N 2.89Å
153R58.8Low67Low157 Ų157103.9 Ų103.959%0.59250%0.497SS*.  trans-49.2109.8172.5-70.9-176.3-175.2-1780.1109.1I141 G155 E183I141-R153 HydrophobicContact CD1-CB 4.42Å; I141-R153 HydrophobicContact CG2-CB 4.21Å; I141-R153 HydrophobicContact CG2-CG 4.43Å; R153-G155 PolarHBondContact O-N 2.92Å; R153-G155 VanDerWaalsContact O-N 3.12Å; R153-E183 IonicContact CZ-OE2 3.16Å; R153-E183 IonicContact NH1-OE1 2.71Å; R153-E183 PolarHBondContact NH1-OE1 3.41Å; R153-E183 IonicContact NH1-OE2 3.38Å; R153-E183 PolarHBondContact NH1-OE2 3.17Å
154R63.8Low67.7Low160 Ų160105.9 Ų105.960%0.60450%0.503SS*.  trans-72.2104.5172.8-71.7-176.6-175.3-163.8-2.1107.3Q142 E150 K152Q142-R154 PolarHBondContact N-O 2.8Å; E150-R154 VanDerWaalsContact CD-NH2 3.26Å; E150-R154 IonicContact OE1-NH2 3.03Å; E150-R154 PolarHBondContact OE1-NH2 2.9Å; E150-R154 IonicContact OE2-CZ 3.18Å; E150-R154 IonicContact OE2-NE 3.02Å; E150-R154 PolarHBondContact OE2-NE 2.8Å; E150-R154 IonicContact OE2-NH2 2.7Å; E150-R154 PolarHBondContact OE2-NH2 2.84Å; K152-R154 PolarHBondContact O-N 2.89Å
155G75.6Confident68.6Low30 Ų30104.6 Ų104.631%0.30951%0.508SS..EExtended strand (participates in β ladder)trans-98.9126.2173.900000109.7A140 R153A140-G155 CarbonylContact O-C 3.5Å; A140-G155 VanDerWaalsContact O-CA 3.28Å; A140-G155 WeakPolarHBondContact O-CA 3.49Å; R153-G155 PolarHBondContact O-N 2.92Å; R153-G155 VanDerWaalsContact O-N 3.12Å
156I87.7Confident70.1Confident61 Ų6198.4 Ų98.431%0.31348%0.476SS..EExtended strand (participates in β ladder)trans-77133.1170.1-49.4175.3000107.8L139 A140 Q142 V158 Y181L139-I156 CarbonylContact C-O 3.56Å; L139-I156 WeakPolarHBondContact CA-O 3.47Å; A140-I156 PolarHBondContact N-O 3Å; A140-I156 PolarHBondContact O-N 2.83Å; Q142-I156 HydrophobicContact CB-CD1 4Å; Q142-I156 HydrophobicContact CB-CG1 4.15Å; Q142-I156 HydrophobicContact CG-CD1 4.3Å; I156-V158 WeakPolarHBondContact O-CG2 3.39Å; I156-V158 PolarHBondContact O-N 3.26Å; I156-Y181 HydrophobicContact CD1-CE1 3.68Å
157Y89.7Confident72Confident109 Ų10994.4 Ų94.443%0.42747%0.47SS..EExtended strand (participates in β ladder)trans-73.1124.6171.8179-82.3000109.7R137 E160R137-Y157 HydrophobicContact CB-CD2 4.47Å; R137-Y157 HydrophobicContact CB-CE2 4.05Å; R137-Y157 HydrophobicContact CG-CE2 3.9Å; Y157-E160 HydrophobicContact CE2-CB 4.42Å; Y157-E160 WeakPolarHBondContact OH-CB 3.33Å; Y157-E160 WeakPolarHBondContact OH-CG 3.44Å; Y157-E160 PolarHBondContact OH-OE2 3.11Å
158V91.6Very high74.3Confident44 Ų4492.3 Ų92.327%0.26746%0.455SS..EExtended strand (participates in β ladder)trans-109.9-30.6-173.6-1570000111.8L138 A140 I156 Y176 Y184L138-V158 HydrophobicContact CD2-CB 4.35Å; L138-V158 HydrophobicContact CG-CB 4.28Å; L138-V158 PolarHBondContact O-N 3.41Å; A140-V158 HydrophobicContact CB-CG2 3.4Å; A140-V158 VanDerWaalsContact CB-CG2 3.4Å; A140-V158 VanDerWaalsContact N-CG2 3.26Å; I156-V158 WeakPolarHBondContact O-CG2 3.39Å; I156-V158 PolarHBondContact O-N 3.26Å; V158-Y176 HydrophobicContact CG1-CD1 4.11Å; V158-Y176 WeakPolarHBondContact O-CD1 3.46Å; V158-Y176 WeakPolarHBondContact O-CE1 3.33Å; V158-Y184 HydrophobicContact CG2-CE1 4.18Å
159G91.7Very high76.7Confident8 Ų891.6 Ų91.68%0.08245%0.448CS..EExtended strand (participates in β ladder)trans178.5176.2178.800000112.4L138L138-G159 PolarHBondContact N-O 3.02Å
160E92.8Very high78.7Confident72 Ų7285 Ų8534%0.33642%0.415SS..EExtended strand (participates in β ladder)trans-144.9158.4173.663.7-172.3-159.900111.7L136 R137 Y157L136-E160 CarbonylContact O-C 3.58Å; L136-E160 VanDerWaalsContact O-CA 3.26Å; L136-E160 WeakPolarHBondContact O-CA 3.35Å; R137-E160 HydrophobicContact CG-CB 4.34Å; Y157-E160 HydrophobicContact CE2-CB 4.42Å; Y157-E160 WeakPolarHBondContact OH-CB 3.33Å; Y157-E160 WeakPolarHBondContact OH-CG 3.44Å; Y157-E160 PolarHBondContact OH-OE2 3.11Å
161Q93Very high81Confident89 Ų8984 Ų8442%0.41641%0.414SS..EExtended strand (participates in β ladder)trans-129.9144.8161.2-84.1-6014.500113.6Q135 L136 V170 F172Q135-Q161 CarbonylContact C-O 3.55Å; Q135-Q161 WeakPolarHBondContact CA-O 2.9Å; L136-Q161 PolarHBondContact N-O 2.97Å; L136-Q161 PolarHBondContact O-N 3.16Å; Q161-V170 HydrophobicContact CB-CB 4.04Å; Q161-V170 HydrophobicContact CB-CG1 3.98Å; Q161-V170 HydrophobicContact CB-CG2 4.41Å; Q161-V170 HydrophobicContact CG-CB 4.38Å; Q161-F172 HydrophobicContact CB-CZ 4.24Å; Q161-F172 HydrophobicContact CG-CE1 4.31Å; Q161-F172 HydrophobicContact CG-CZ 4.33Å
162R90.4Very high83.1Confident182 Ų18277.8 Ų77.869%0.68738%0.375SS*.EExtended strand (participates in β ladder)trans-75.8141.6172.4-65.2-178.5-176.9162.80109.7
163L88.6Confident84.9Confident14 Ų1473.7 Ų73.77%0.07336%0.358CS..EExtended strand (participates in β ladder)trans-110.6140.8179.3-56.9178.9000109.6T122 T124 H134 L136 V170 M188T122-L163 HydrophobicContact CG2-CD1 4.13Å; T122-L163 HydrophobicContact CG2-CD2 4.14Å; T122-L163 WeakPolarHBondContact OG1-CD2 3.25Å; T124-L163 HydrophobicContact CG2-CD1 4.12Å; H134-L163 HydrophobicContact CB-CB 3.87Å; H134-L163 HydrophobicContact CB-CD1 4.36Å; H134-L163 PolarHBondContact O-N 3.22Å; L136-L163 HydrophobicContact CB-CD1 4.15Å; L136-L163 HydrophobicContact CB-CD2 4.05Å; L136-L163 HydrophobicContact CB-CG 4.23Å; L163-V170 HydrophobicContact CD2-CG1 3.6Å; L163-V170 HydrophobicContact CD2-CG2 4.05Å; L163-M188 HydrophobicContact CD1-CE 3.79Å; L163-M188 HydrophobicContact CD1-CG 4.21Å
164Q81.8Confident86.3Confident150 Ų15067.4 Ų67.470%0.70134%0.338SS*.  trans-82.3153.6165.4-63.2-162-5.800110.4T124 S168T124-Q164 PolarHBondContact OG1-O 3.04Å; Q164-S168 WeakPolarHBondContact CA-OG 3.36Å; Q164-S168 WeakPolarHBondContact CB-OG 3.42Å; Q164-S168 PolarHBondContact N-OG 3.29Å; Q164-S168 PolarHBondContact O-OG 2.62Å
165P74.7Confident87.5Confident78 Ų7866.3 Ų66.351%0.50634%0.344SS..SBendtrans-56.1139.9172.8-2232.5000111.6T124T124-P165 WeakPolarHBondContact OG1-CA 3.49Å
166G78.1Confident88.2Confident2 Ų270 Ų702%0.02135%0.349CS..SBendtrans89.2-137.9-177.400000114.2R123 T124 N126 S168R123-G166 WeakPolarHBondContact CA-O 3.13Å; T124-G166 PolarHBondContact N-O 2.92Å; T124-G166 VanDerWaalsContact O-CA 3.25Å; T124-G166 WeakPolarHBondContact O-CA 3.43Å; T124-G166 PolarHBondContact O-N 3.3Å; T124-G166 PolarHBondContact OG1-N 2.94Å; T124-G166 PolarHBondContact OG1-O 3.1Å; T124-G166 VanDerWaalsContact OG1-O 3.13Å; N126-G166 WeakPolarHBondContact OD1-CA 3.41Å; G166-S168 PolarHBondContact O-N 2.77Å
167V83.1Confident88.2Confident93 Ų9367.7 Ų67.756%0.56434%0.337SS*.EExtended strand (participates in β ladder)trans-89.5109.9-178.4-1790000109T122 R123T122-V167 CarbonylContact O-C 3.58Å; T122-V167 WeakPolarHBondContact O-CA 3.06Å; R123-V167 HydrophobicContact CG-CG2 4.25Å
168S86.9Confident88Confident12 Ų1266.2 Ų66.28%0.08434%0.337CS..EExtended strand (participates in β ladder)trans-113129.2177.2-78.20000110.5T122 Q164 G166T122-S168 PolarHBondContact N-O 3.19Å; T122-S168 PolarHBondContact O-N 2.83Å; T122-S168 WeakPolarHBondContact OG1-CB 3.42Å; T122-S168 PolarHBondContact OG1-O 3.44Å; Q164-S168 WeakPolarHBondContact CA-OG 3.36Å; Q164-S168 WeakPolarHBondContact CB-OG 3.42Å; Q164-S168 PolarHBondContact N-OG 3.29Å; Q164-S168 PolarHBondContact O-OG 2.62Å; G166-S168 PolarHBondContact O-N 2.77Å
169V90.3Very high87.5Confident94 Ų9469.6 Ų69.657%0.5735%0.353SS*.EExtended strand (participates in β ladder)trans-105.3120.4170.4-1770000108.1V120V120-V169 WeakPolarHBondContact O-CA 3.45Å
170V91.3Very high87Confident15 Ų1574.7 Ų74.79%0.09138%0.377CS..EExtended strand (participates in β ladder)trans-119143.6178.6-68.90000110.6S119 V120 L136 Q161 L163 F172S119-V170 WeakPolarHBondContact CA-O 3.42Å; V120-V170 HydrophobicContact CB-CG2 4.29Å; V120-V170 PolarHBondContact N-O 3.34Å; V120-V170 PolarHBondContact O-N 3.2Å; L136-V170 HydrophobicContact CD2-CG2 3.62Å; Q161-V170 HydrophobicContact CB-CB 4.04Å; Q161-V170 HydrophobicContact CB-CG1 3.98Å; Q161-V170 HydrophobicContact CB-CG2 4.41Å; Q161-V170 HydrophobicContact CG-CB 4.38Å; L163-V170 HydrophobicContact CD2-CG1 3.6Å; L163-V170 HydrophobicContact CD2-CG2 4.05Å; V170-F172 HydrophobicContact CG2-CE2 4.22Å
171N90.7Very high86.5Confident82 Ų8273.5 Ų73.544%0.43937%0.37SS..EExtended strand (participates in β ladder)trans-113.2129-177.8-65.7-25.3000110.1I118 S119I118-N171 WeakPolarHBondContact O-CA 3.16Å; S119-N171 VanDerWaalsContact CA-OD1 3.31Å; S119-N171 WeakPolarHBondContact CA-OD1 3.29Å; S119-N171 WeakPolarHBondContact CB-OD1 3.36Å; S119-N171 PolarHBondContact OG-OD1 2.83Å
172F91.2Very high85.9Confident4 Ų470.4 Ų70.42%0.01836%0.357CS..EExtended strand (participates in β ladder)trans-104.7125.9170-70.7-85.8000109.5G117 I118 V120 L136 L138 Q161 V170 F177 F186G117-F172 CarbonylContact C-O 3.58Å; G117-F172 WeakPolarHBondContact CA-O 3.17Å; I118-F172 PolarHBondContact N-O 2.9Å; I118-F172 PolarHBondContact O-N 3.25Å; V120-F172 HydrophobicContact CG2-CD2 4.39Å; L136-F172 HydrophobicContact CD2-CE2 3.89Å; L136-F172 HydrophobicContact CD2-CZ 4.39Å; L138-F172 HydrophobicContact CB-CD1 4.43Å; L138-F172 HydrophobicContact CB-CE1 3.96Å; L138-F172 HydrophobicContact CB-CZ 4.26Å; L138-F172 HydrophobicContact CD2-CD1 3.92Å; L138-F172 HydrophobicContact CD2-CE1 4.3Å; L138-F172 HydrophobicContact CD2-CG 4.31Å; Q161-F172 HydrophobicContact CB-CZ 4.24Å; Q161-F172 HydrophobicContact CG-CE1 4.31Å; Q161-F172 HydrophobicContact CG-CZ 4.33Å; V170-F172 HydrophobicContact CG2-CE2 4.22Å; F172-F177 HydrophobicContact CB-CE2 3.82Å; F172-F177 HydrophobicContact CB-CZ 3.63Å; F172-F177 HydrophobicContact CG-CZ 4.38Å; F172-F186 HydrophobicContact CD2-CD1 4.39Å; F172-F186 AromaticContact CD2-CE1 3.8Å; F172-F186 HydrophobicContact CD2-CE1 3.8Å; F172-F186 HydrophobicContact CE2-CD1 4.01Å; F172-F186 AromaticContact CE2-CE1 3.89Å; F172-F186 HydrophobicContact CE2-CE1 3.89Å
173H90.6Very high85.6Confident91 Ų9163.6 Ų63.642%0.42133%0.333SS..  trans-62.7151.8179.6-156.3-93000111.6N175 Y176H173-N175 PolarHBondContact CE1-OD1 3.02Å; H173-N175 VanDerWaalsContact ND1-CG 3.28Å; H173-N175 PolarHBondContact ND1-OD1 3.41Å; H173-N175 PolarHBondContact O-N 2.04Å; H173-Y176 HydrophobicContact CB-CD2 4.04Å; H173-Y176 HydrophobicContact CB-CE2 4.19Å; H173-Y176 WeakPolarHBondContact O-CD2 3.3Å; H173-Y176 PolarHBondContact O-N 2.95Å; H173-Y176 VanDerWaalsContact O-N 3.14Å
174C89.1Confident85.6Confident25 Ų2563 Ų6317%0.16933%0.33CS..G310 helixtrans-59.1-24.6-178.9-660000113.6C113 Y176 F177C113-C174 HydrophobicContact CB-CB 3.82Å; C113-C174 WeakPolarHBondContact CB-SG 3.21Å; C113-C174 PolarHBondContact O-SG 2.92Å; C113-C174 VanDerWaalsContact O-SG 3.39Å; C113-C174 WeakPolarHBondContact SG-CA 3.22Å; C113-C174 WeakPolarHBondContact SG-CB 3.44Å; C113-C174 CovalentContact SG-SG 2.04Å; C113-C174 PolarHBondContact SG-SG 3.19Å; C174-Y176 PolarHBondContact O-N 2.88Å; C174-F177 PolarHBondContact O-N 2.81Å
175N89.6Confident86Confident138 Ų13855.9 Ų55.974%0.73830%0.297SS*.G310 helixtrans-66.9-17.4-178.6-55.811.5000113.3H173H173-N175 PolarHBondContact CE1-OD1 3.02Å; H173-N175 VanDerWaalsContact ND1-CG 3.28Å; H173-N175 PolarHBondContact ND1-OD1 3.41Å; H173-N175 PolarHBondContact O-N 2.04Å
176Y89.6Confident86.8Confident106 Ų10652.2 Ų52.242%0.41627%0.273SS..G310 helixtrans-75.4-15.2173.2-72-82.1000112.5V158 H173 C174 Y184V158-Y176 HydrophobicContact CG1-CD1 4.11Å; V158-Y176 WeakPolarHBondContact O-CD1 3.46Å; V158-Y176 WeakPolarHBondContact O-CE1 3.33Å; H173-Y176 HydrophobicContact CB-CD2 4.04Å; H173-Y176 HydrophobicContact CB-CE2 4.19Å; H173-Y176 WeakPolarHBondContact O-CD2 3.3Å; H173-Y176 PolarHBondContact O-N 2.95Å; H173-Y176 VanDerWaalsContact O-N 3.14Å; C174-Y176 PolarHBondContact O-N 2.88Å; Y176-Y184 WeakPolarHBondContact O-CE1 3.28Å; Y176-Y184 PolarHBondContact O-OH 3.12Å
177F88.4Confident87.5Confident13 Ų1355.8 Ų55.86%0.05729%0.286CS..  trans-111128.6-172-51.7-66.3000110.9L110 F111 I118 L138 F172 C174 Y184 F186L110-F177 HydrophobicContact CD2-CB 4.24Å; L110-F177 HydrophobicContact CD2-CD1 3.04Å; L110-F177 HydrophobicContact CD2-CD2 4.22Å; L110-F177 HydrophobicContact CD2-CE1 3.21Å; L110-F177 HydrophobicContact CD2-CE2 4.39Å; L110-F177 HydrophobicContact CD2-CG 3.57Å; L110-F177 HydrophobicContact CD2-CZ 3.92Å; F111-F177 HydrophobicContact CE2-CB 4.31Å; F111-F177 HydrophobicContact CZ-CB 3.86Å; I118-F177 HydrophobicContact CB-CE2 3.96Å; I118-F177 HydrophobicContact CB-CZ 4.18Å; I118-F177 HydrophobicContact CD1-CD2 3.76Å; I118-F177 HydrophobicContact CD1-CE1 4.28Å; I118-F177 HydrophobicContact CD1-CE2 3.48Å; I118-F177 VanDerWaalsContact CD1-CE2 3.48Å; I118-F177 HydrophobicContact CD1-CG 4.29Å; I118-F177 HydrophobicContact CD1-CZ 3.75Å; I118-F177 HydrophobicContact CG1-CD2 4.19Å; I118-F177 HydrophobicContact CG1-CE2 3.68Å; I118-F177 HydrophobicContact CG1-CZ 4.21Å; L138-F177 HydrophobicContact CD1-CE1 3.98Å; L138-F177 HydrophobicContact CD2-CD1 4.32Å; L138-F177 HydrophobicContact CD2-CE1 3.52Å; L138-F177 HydrophobicContact CD2-CZ 3.91Å; L138-F177 HydrophobicContact CG-CE1 4.36Å; F172-F177 HydrophobicContact CB-CE2 3.82Å; F172-F177 HydrophobicContact CB-CZ 3.63Å; F172-F177 HydrophobicContact CG-CZ 4.38Å; C174-F177 PolarHBondContact O-N 2.81Å; F177-Y184 WeakPolarHBondContact CA-OH 3.39Å; F177-Y184 AromaticContact CD1-CD1 3.78Å; F177-Y184 HydrophobicContact CD1-CD1 3.78Å; F177-Y184 HydrophobicContact CD1-CD2 4.2Å; F177-Y184 AromaticContact CD1-CE1 3.72Å; F177-Y184 HydrophobicContact CD1-CE1 3.72Å; F177-Y184 HydrophobicContact CD1-CE2 4.19Å; F177-Y184 HydrophobicContact CD1-CG 4.01Å; F177-Y184 AromaticContact CD1-CZ 3.96Å; F177-Y184 HydrophobicContact CE1-CD1 4.06Å; F177-Y184 HydrophobicContact CE1-CE1 4.36Å; F177-Y184 HydrophobicContact CE1-CG 4.34Å; F177-F186 HydrophobicContact CE1-CZ 4.29Å; F177-F186 HydrophobicContact CZ-CZ 4.31Å
178D84.9Confident87.7Confident78 Ų7851.3 Ų51.342%0.41726%0.259SS..  trans-134.8139.8179.2-163.8-23.8000109I180 Y181 Y184D178-I180 HydrophobicContact CB-CD1 4.33Å; D178-I180 HydrophobicContact CB-CG1 3.91Å; D178-I180 PolarHBondContact O-N 2.7Å; D178-I180 PolarHBondContact OD1-N 3.2Å; D178-Y181 HydrophobicContact CB-CD2 4.29Å; D178-Y181 PolarHBondContact O-N 3.03Å; D178-Y184 PolarHBondContact N-OH 3.4Å; D178-Y184 PolarHBondContact O-OH 3.04Å
179L80.8Confident87.8Confident115 Ų11550.8 Ų50.860%0.60226%0.255SS*.THydrogen-bonded Turntrans-66.6-16.5-179.5-72.2163.9000112.2F111 Y181F111-L179 HydrophobicContact CB-CD2 4.36Å; F111-L179 HydrophobicContact CD1-CD2 4.23Å; F111-L179 HydrophobicContact CD1-CG 4.42Å; F111-L179 HydrophobicContact CD2-CD2 3.5Å; F111-L179 HydrophobicContact CD2-CG 4.21Å; F111-L179 HydrophobicContact CE1-CD2 4.43Å; F111-L179 HydrophobicContact CE1-CG 4.2Å; F111-L179 HydrophobicContact CE2-CD2 3.73Å; F111-L179 HydrophobicContact CE2-CG 3.97Å; F111-L179 HydrophobicContact CG-CD2 3.78Å; F111-L179 HydrophobicContact CG-CG 4.42Å; F111-L179 HydrophobicContact CZ-CD2 4.19Å; F111-L179 HydrophobicContact CZ-CG 3.96Å; L179-Y181 PolarHBondContact O-N 3.28Å
180I80.6Confident87.3Confident116 Ų11646.5 Ų46.560%0.59523%0.229SC*.THydrogen-bonded Turntrans-60.9-28.3174.567.7-179.2000112.5D178D178-I180 HydrophobicContact CB-CD1 4.33Å; D178-I180 HydrophobicContact CB-CG1 3.91Å; D178-I180 PolarHBondContact O-N 2.7Å; D178-I180 PolarHBondContact OD1-N 3.2Å
181Y83.8Confident86.8Confident47 Ų4746.9 Ų46.918%0.18423%0.232CC..SBendtrans-94.3124178.3-59.8-71.7000110A140 Q142 I156 D178 L179 E183 Y184 T207A140-Y181 HydrophobicContact CB-CD1 3.78Å; A140-Y181 HydrophobicContact CB-CD2 3.82Å; A140-Y181 HydrophobicContact CB-CE1 4.09Å; A140-Y181 HydrophobicContact CB-CE2 4.1Å; A140-Y181 HydrophobicContact CB-CG 3.63Å; Q142-Y181 HydrophobicContact CB-CD1 4.24Å; Q142-Y181 HydrophobicContact CB-CE1 4.07Å; Q142-Y181 HydrophobicContact CG-CE1 4.11Å; I156-Y181 HydrophobicContact CD1-CE1 3.68Å; D178-Y181 HydrophobicContact CB-CD2 4.29Å; D178-Y181 PolarHBondContact O-N 3.03Å; L179-Y181 PolarHBondContact O-N 3.28Å; Y181-E183 VanDerWaalsContact C-N 3.29Å; Y181-E183 PolarHBondContact O-N 3.44Å; Y181-Y184 AromaticContact CD2-CZ 3.96Å; Y181-Y184 WeakPolarHBondContact CD2-OH 3.33Å; Y181-T207 WeakPolarHBondContact O-CB 3.24Å; Y181-T207 WeakPolarHBondContact O-CG2 3.36Å; Y181-T207 PolarHBondContact O-OG1 2.71Å
182P78.5Confident85.9Confident24 Ų2446 Ų4616%0.15623%0.226CC..SBendtrans-70.1-20.9-177.227.3-38.2000114.6I141 R144 S206 T207I141-P182 VanDerWaalsContact O-CD 3.3Å; I141-P182 WeakPolarHBondContact O-CD 3.38Å; R144-P182 HydrophobicContact CG-CB 4.3Å; R144-P182 HydrophobicContact CG-CG 4.15Å; P182-S206 WeakPolarHBondContact O-CA 3.45Å; P182-S206 PolarHBondContact O-OG 3.4Å; P182-T207 VanDerWaalsContact C-OG1 3.25Å; P182-T207 WeakPolarHBondContact CA-OG1 3.33Å; P182-T207 PolarHBondContact O-N 3.16Å; P182-T207 VanDerWaalsContact O-N 3.1Å; P182-T207 PolarHBondContact O-OG1 3.19Å
183E85.3Confident84.5Confident38 Ų3849.1 Ų49.118%0.17826%0.26CS..EExtended strand (participates in β ladder)trans-154.2141.2-173.9-166.9-172.7-113.400110.9I141 R153 Y181 C204 V205I141-E183 HydrophobicContact CB-CB 4.24Å; I141-E183 HydrophobicContact CG1-CB 4.2Å; I141-E183 PolarHBondContact N-O 3.48Å; R153-E183 IonicContact CZ-OE2 3.16Å; R153-E183 IonicContact NH1-OE1 2.71Å; R153-E183 PolarHBondContact NH1-OE1 3.41Å; R153-E183 IonicContact NH1-OE2 3.38Å; R153-E183 PolarHBondContact NH1-OE2 3.17Å; Y181-E183 VanDerWaalsContact C-N 3.29Å; Y181-E183 PolarHBondContact O-N 3.44Å; E183-C204 HydrophobicContact CG-CB 3.93Å; E183-V205 WeakPolarHBondContact CA-O 3.47Å; E183-V205 WeakPolarHBondContact CG-O 3.06Å
184Y89.3Confident83.4Confident1 Ų151 Ų510%0.00427%0.273CS..EExtended strand (participates in β ladder)trans-116.2137.9169.4-76.5-97.6000110L110 L138 L139 A140 V158 Y176 F177 D178 Y181 C204 V205 T207L110-Y184 HydrophobicContact CD1-CD2 4.16Å; L110-Y184 HydrophobicContact CD1-CG 4.45Å; L110-Y184 HydrophobicContact CD2-CD2 4.01Å; L110-Y184 HydrophobicContact CD2-CG 4.1Å; L138-Y184 HydrophobicContact CD1-CD1 3.87Å; L138-Y184 HydrophobicContact CD1-CG 4.49Å; L138-Y184 HydrophobicContact CD2-CD1 4.41Å; L138-Y184 HydrophobicContact CG-CD1 4.15Å; L139-Y184 CarbonylContact O-C 3.6Å; L139-Y184 VanDerWaalsContact O-CA 3.31Å; L139-Y184 WeakPolarHBondContact O-CA 3.48Å; A140-Y184 HydrophobicContact CB-CD1 4.07Å; A140-Y184 HydrophobicContact CB-CE1 3.67Å; V158-Y184 HydrophobicContact CG2-CE1 4.18Å; Y176-Y184 WeakPolarHBondContact O-CE1 3.28Å; Y176-Y184 PolarHBondContact O-OH 3.12Å; F177-Y184 WeakPolarHBondContact CA-OH 3.39Å; F177-Y184 AromaticContact CD1-CD1 3.78Å; F177-Y184 HydrophobicContact CD1-CD1 3.78Å; F177-Y184 HydrophobicContact CD1-CD2 4.2Å; F177-Y184 AromaticContact CD1-CE1 3.72Å; F177-Y184 HydrophobicContact CD1-CE1 3.72Å; F177-Y184 HydrophobicContact CD1-CE2 4.19Å; F177-Y184 HydrophobicContact CD1-CG 4.01Å; F177-Y184 AromaticContact CD1-CZ 3.96Å; F177-Y184 HydrophobicContact CE1-CD1 4.06Å; F177-Y184 HydrophobicContact CE1-CE1 4.36Å; F177-Y184 HydrophobicContact CE1-CG 4.34Å; D178-Y184 PolarHBondContact N-OH 3.4Å; D178-Y184 PolarHBondContact O-OH 3.04Å; Y181-Y184 AromaticContact CD2-CZ 3.96Å; Y181-Y184 WeakPolarHBondContact CD2-OH 3.33Å; Y184-C204 CarbonylContact O-C 3.58Å; Y184-C204 VanDerWaalsContact O-CA 3.24Å; Y184-C204 WeakPolarHBondContact O-CA 3.37Å; Y184-V205 PolarHBondContact N-O 2.88Å; Y184-V205 PolarHBondContact O-N 3.45Å; Y184-T207 HydrophobicContact CD2-CG2 3.51Å; Y184-T207 HydrophobicContact CE2-CG2 3.58Å
185C90Very high82.5Confident2 Ų252 Ų521%0.01429%0.289CS..EExtended strand (participates in β ladder)trans-117.5123.9177.7-65.90000110.9L139 Q202 C204L139-C185 HydrophobicContact CB-CB 4.43Å; L139-C185 PolarHBondContact N-O 3.49Å; L139-C185 PolarHBondContact O-N 3.5Å; C185-Q202 HydrophobicContact CB-CG 4.24Å; C185-C204 HydrophobicContact CB-CB 4.09Å; C185-C204 WeakPolarHBondContact CB-SG 3.11Å; C185-C204 WeakPolarHBondContact SG-CB 3.44Å; C185-C204 CovalentContact SG-SG 2.04Å; C185-C204 PolarHBondContact SG-SG 3.09Å
186F91.9Very high81.4Confident1 Ų151.2 Ų51.20%0.00428%0.278CS..EExtended strand (participates in β ladder)trans-90.4120.3169.7-58.6-91.7000108.4I103 M105 V120 L136 R137 L138 F172 F177 Q202 R203 V205I103-F186 HydrophobicContact CD1-CB 4.41Å; I103-F186 WeakPolarHBondContact CD1-O 3.33Å; I103-F186 HydrophobicContact CG2-CB 4.33Å; M105-F186 HydrophobicContact CE-CD2 3.61Å; M105-F186 HydrophobicContact CE-CE2 4.1Å; M105-F186 HydrophobicContact CE-CG 4.47Å; M105-F186 HydrophobicContact SD-CD2 3.64Å; M105-F186 HydrophobicContact SD-CE2 3.57Å; M105-F186 VanDerWaalsContact SD-CE2 3.57Å; M105-F186 HydrophobicContact SD-CZ 4.41Å; V120-F186 HydrophobicContact CG2-CD1 3.84Å; V120-F186 HydrophobicContact CG2-CE1 3.54Å; V120-F186 HydrophobicContact CG2-CG 4.46Å; V120-F186 HydrophobicContact CG2-CZ 3.96Å; L136-F186 HydrophobicContact CD1-CB 4.2Å; L136-F186 HydrophobicContact CD2-CD1 4.22Å; L136-F186 HydrophobicContact CG-CB 4.49Å; R137-F186 CarbonylContact O-C 3.51Å; R137-F186 WeakPolarHBondContact O-CA 3.28Å; L138-F186 HydrophobicContact CD1-CD1 3.83Å; L138-F186 HydrophobicContact CD1-CE1 3.56Å; L138-F186 HydrophobicContact CD1-CE2 4.37Å; L138-F186 HydrophobicContact CD1-CG 4.35Å; L138-F186 HydrophobicContact CD1-CZ 3.86Å; F172-F186 HydrophobicContact CD2-CD1 4.39Å; F172-F186 AromaticContact CD2-CE1 3.8Å; F172-F186 HydrophobicContact CD2-CE1 3.8Å; F172-F186 HydrophobicContact CE2-CD1 4.01Å; F172-F186 AromaticContact CE2-CE1 3.89Å; F172-F186 HydrophobicContact CE2-CE1 3.89Å; F177-F186 HydrophobicContact CE1-CZ 4.29Å; F177-F186 HydrophobicContact CZ-CZ 4.31Å; F186-Q202 CarbonylContact O-C 3.46Å; F186-Q202 VanDerWaalsContact O-CA 3.3Å; F186-Q202 WeakPolarHBondContact O-CA 3.3Å; F186-R203 PolarHBondContact N-O 3.09Å; F186-R203 PolarHBondContact O-N 3.28Å; F186-V205 HydrophobicContact CE2-CG2 4.42Å
187R90.9Very high80.8Confident76 Ų7649 Ų4929%0.28728%0.276SS..EExtended strand (participates in β ladder)trans-119.6118.2-177.2-176-178.1-69.1167.13.4109.9R137 L139 V189 Q199 A201 Q202R137-R187 HydrophobicContact CB-CB 4.5Å; R137-R187 PolarHBondContact N-O 3.29Å; R137-R187 PolarHBondContact O-N 2.73Å; L139-R187 HydrophobicContact CD1-CB 3.76Å; R187-V189 HydrophobicContact CG-CG1 4Å; R187-Q199 VanDerWaalsContact CD-OE1 3.23Å; R187-Q199 HydrophobicContact CG-CG 3.84Å; R187-Q199 VanDerWaalsContact NE-OE1 3.14Å; R187-A201 WeakPolarHBondContact CA-O 3.31Å; R187-Q202 HydrophobicContact CB-CG 4.49Å; R187-Q202 VanDerWaalsContact CZ-OE1 3.29Å
188M88.7Confident80.1Confident0 Ų050.5 Ų50.50%028%0.283CS..EExtended strand (participates in β ladder)trans-88.5126.6176-175179.8-79.300109.8Y101 I103 T122 T124 Q135 L136 L163 H200 A201Y101-M188 HydrophobicContact CD1-CG 4.43Å; Y101-M188 HydrophobicContact CD1-SD 3.48Å; Y101-M188 WeakPolarHBondContact CD1-SD 3.34Å; Y101-M188 HydrophobicContact CE1-SD 4.49Å; Y101-M188 HydrophobicContact CG-SD 4.07Å; I103-M188 HydrophobicContact CD1-CB 3.99Å; I103-M188 HydrophobicContact CG1-CB 4.28Å; I103-M188 HydrophobicContact CG1-CE 4.03Å; T122-M188 HydrophobicContact CG2-CE 3.47Å; T122-M188 VanDerWaalsContact CG2-CE 3.47Å; T124-M188 HydrophobicContact CG2-CE 4.16Å; T124-M188 HydrophobicContact CG2-SD 4.02Å; Q135-M188 WeakPolarHBondContact O-CA 3.31Å; L136-M188 HydrophobicContact CD1-CB 4.12Å; L163-M188 HydrophobicContact CD1-CE 3.79Å; L163-M188 HydrophobicContact CD1-CG 4.21Å; M188-H200 PolarHBondContact O-N 2.74Å; M188-A201 HydrophobicContact CB-CB 4.28Å; M188-A201 PolarHBondContact N-O 3.1Å
189V87.5Confident79.8Confident1 Ų151.5 Ų51.51%0.00629%0.285CS..EExtended strand (participates in β ladder)trans-131.2152.9179.6-57.60000111Q135 R137 R187 V197 Q198 Q199Q135-V189 HydrophobicContact CB-CG2 3.98Å; Q135-V189 PolarHBondContact N-O 3.26Å; Q135-V189 PolarHBondContact O-N 3.1Å; R137-V189 HydrophobicContact CG-CG2 4.21Å; R187-V189 HydrophobicContact CG-CG1 4Å; V189-V197 HydrophobicContact CB-CG1 3.64Å; V189-V197 HydrophobicContact CG1-CG1 3.85Å; V189-V197 HydrophobicContact CG2-CG1 3.98Å; V189-Q198 CarbonylContact C-O 3.48Å; V189-Q198 WeakPolarHBondContact CA-O 3.3Å; V189-Q198 WeakPolarHBondContact CB-O 3.42Å; V189-Q199 HydrophobicContact CG1-CB 4.45Å
190S81.4Confident79.8Confident3 Ų348.4 Ų48.42%0.02127%0.268CS..EExtended strand (participates in β ladder)trans-10813516259.60000109.5L133 V197 Q198 H200L133-S190 CarbonylContact O-C 3.53Å; L133-S190 WeakPolarHBondContact O-CA 3.19Å; S190-V197 WeakPolarHBondContact O-CA 3.1Å; S190-Q198 PolarHBondContact N-O 3.46Å; S190-Q198 PolarHBondContact O-N 2.85Å; S190-H200 WeakPolarHBondContact CB-NE2 3.24Å; S190-H200 PolarHBondContact OG-NE2 3.02Å
191V80.2Confident79.9Confident23 Ų2343.8 Ų43.814%0.13925%0.247CC..EExtended strand (participates in β ladder)trans-106.7118.8172.9-170.90000107.1L133 F196 V197L133-V191 HydrophobicContact CB-CB 4.48Å; L133-V191 PolarHBondContact N-O 2.62Å; L133-V191 PolarHBondContact O-N 2.96Å; V191-F196 WeakPolarHBondContact CA-O 3.38Å; V191-V197 HydrophobicContact CG2-CG2 4.32Å
192L72.3Confident80.1Confident63 Ų6345.5 Ų45.533%0.3326%0.257SS..  trans-86.1159.2170.7-75.782.4000109.1V132 D194 G195 F196V132-L192 HydrophobicContact CG2-CG 4.34Å; L192-D194 PolarHBondContact O-N 3Å; L192-G195 PolarHBondContact O-N 3.1Å; L192-F196 HydrophobicContact CB-CB 4.43Å; L192-F196 HydrophobicContact CD1-CD1 4.35Å; L192-F196 PolarHBondContact N-O 3.26Å
193G60.3Low80.5Confident70 Ų7050.4 Ų50.472%0.72227%0.272SS*.THydrogen-bonded Turntrans-56.4-16.5-169.200000116.5G195G193-G195 VanDerWaalsContact C-N 3.32Å
194D68.7Low80.6Confident130 Ų13049.8 Ų49.870%0.69527%0.271SS*.THydrogen-bonded Turntrans-87.76.1173.560.8-14.9000113.8L192 F196L192-D194 PolarHBondContact O-N 3Å; D194-F196 PolarHBondContact O-N 3.41Å; D194-F196 WeakPolarHBondContact OD1-CB 3.32Å; D194-F196 PolarHBondContact OD1-N 3.41Å; D194-F196 VanDerWaalsContact OD1-N 3.13Å
195G69.1Low80.4Confident48 Ų4850.1 Ų50.150%0.49527%0.274SS..  trans78.26.8-174.300000113.3L192 G193 V197L192-G195 PolarHBondContact O-N 3.1Å; G193-G195 VanDerWaalsContact C-N 3.32Å; G195-V197 WeakPolarHBondContact O-CG2 3.28Å; G195-V197 PolarHBondContact O-N 3.46Å
196F67.4Low80Confident120 Ų12052 Ų5253%0.52629%0.286SS..  trans-65120.6174.7-174.1-93.3000110.1V191 L192 D194 Q198V191-F196 WeakPolarHBondContact CA-O 3.38Å; L192-F196 HydrophobicContact CB-CB 4.43Å; L192-F196 HydrophobicContact CD1-CD1 4.35Å; L192-F196 PolarHBondContact N-O 3.26Å; D194-F196 PolarHBondContact O-N 3.41Å; D194-F196 WeakPolarHBondContact OD1-CB 3.32Å; D194-F196 PolarHBondContact OD1-N 3.41Å; D194-F196 VanDerWaalsContact OD1-N 3.13Å; F196-Q198 HydrophobicContact CE1-CB 4.2Å
197V76.8Confident79.3Confident59 Ų5952.2 Ų52.236%0.35829%0.288SS..EExtended strand (participates in β ladder)trans-103.9118.6-178.5-173.20000109.9V189 S190 V191 G195V189-V197 HydrophobicContact CB-CG1 3.64Å; V189-V197 HydrophobicContact CG1-CG1 3.85Å; V189-V197 HydrophobicContact CG2-CG1 3.98Å; S190-V197 WeakPolarHBondContact O-CA 3.1Å; V191-V197 HydrophobicContact CG2-CG2 4.32Å; G195-V197 WeakPolarHBondContact O-CG2 3.28Å; G195-V197 PolarHBondContact O-N 3.46Å
198Q74.2Confident78.2Confident45 Ų4550.6 Ų50.621%0.2128%0.284CS..EExtended strand (participates in β ladder)trans-106.3128.2172.1-166.8-173.1-26.400110.7V189 S190 F196 H200V189-Q198 CarbonylContact C-O 3.48Å; V189-Q198 WeakPolarHBondContact CA-O 3.3Å; V189-Q198 WeakPolarHBondContact CB-O 3.42Å; S190-Q198 PolarHBondContact N-O 3.46Å; S190-Q198 PolarHBondContact O-N 2.85Å; F196-Q198 HydrophobicContact CE1-CB 4.2Å; Q198-H200 VanDerWaalsContact CD-CE1 3.41Å; Q198-H200 PolarHBondContact NE2-CE1 3.46Å; Q198-H200 VanDerWaalsContact NE2-CE1 3.26Å
199Q78.9Confident76.9Confident100 Ų10056.1 Ų56.147%0.46731%0.313SS..EExtended strand (participates in β ladder)trans-88.4128.7174.8-178.3179.4-40.800110.8R187 V189R187-Q199 VanDerWaalsContact CD-OE1 3.23Å; R187-Q199 HydrophobicContact CG-CG 3.84Å; R187-Q199 VanDerWaalsContact NE-OE1 3.14Å; V189-Q199 HydrophobicContact CG1-CB 4.45Å
200H81.1Confident75.4Confident50 Ų5061.5 Ų61.523%0.23134%0.336CS..EExtended strand (participates in β ladder)trans-110-44.8-177.9-61.6-66.7000113.2Y101 M188 S190 Q198Y101-H200 HydrophobicContact CD1-CB 3.96Å; Y101-H200 HydrophobicContact CD2-CB 3.55Å; Y101-H200 AromaticContact CD2-CG 3.58Å; Y101-H200 AromaticContact CD2-ND1 3.65Å; Y101-H200 HydrophobicContact CE1-CB 4.45Å; Y101-H200 AromaticContact CE1-CD2 3.86Å; Y101-H200 HydrophobicContact CE2-CB 4.13Å; Y101-H200 AromaticContact CE2-CE1 3.72Å; Y101-H200 AromaticContact CE2-CG 3.62Å; Y101-H200 AromaticContact CE2-ND1 3.39Å; Y101-H200 WeakPolarHBondContact CE2-ND1 3.39Å; Y101-H200 HydrophobicContact CG-CB 3.43Å; Y101-H200 VanDerWaalsContact CG-CB 3.43Å; Y101-H200 AromaticContact CG-CG 3.78Å; Y101-H200 AromaticContact CZ-CD2 3.83Å; Y101-H200 AromaticContact CZ-CE1 3.8Å; Y101-H200 AromaticContact CZ-CG 3.83Å; Y101-H200 AromaticContact CZ-ND1 3.84Å; Y101-H200 AromaticContact CZ-NE2 3.81Å; M188-H200 PolarHBondContact O-N 2.74Å; S190-H200 WeakPolarHBondContact CB-NE2 3.24Å; S190-H200 PolarHBondContact OG-NE2 3.02Å; Q198-H200 VanDerWaalsContact CD-CE1 3.41Å; Q198-H200 PolarHBondContact NE2-CE1 3.46Å; Q198-H200 VanDerWaalsContact NE2-CE1 3.26Å
201A82.8Confident74.1Confident19 Ų1965.1 Ų65.116%0.15736%0.358CS..EExtended strand (participates in β ladder)trans-144.7148.2-177.300000111I103 R187 M188I103-A201 HydrophobicContact CD1-CB 4.04Å; I103-A201 HydrophobicContact CG1-CB 4.18Å; R187-A201 WeakPolarHBondContact CA-O 3.31Å; M188-A201 HydrophobicContact CB-CB 4.28Å; M188-A201 PolarHBondContact N-O 3.1Å
202Q87.6Confident73.2Confident83 Ų8375.5 Ų75.539%0.38840%0.395SS..EExtended strand (participates in β ladder)trans-138.8134.4170.6-176.5177.6-66.400109.3C185 F186 R187 C204C185-Q202 HydrophobicContact CB-CG 4.24Å; F186-Q202 CarbonylContact O-C 3.46Å; F186-Q202 VanDerWaalsContact O-CA 3.3Å; F186-Q202 WeakPolarHBondContact O-CA 3.3Å; R187-Q202 HydrophobicContact CB-CG 4.49Å; R187-Q202 VanDerWaalsContact CZ-OE1 3.29Å; Q202-C204 PolarHBondContact NE2-SG 2.64Å; Q202-C204 VanDerWaalsContact NE2-SG 3.41Å
203R87Confident73.2Confident126 Ų12677.5 Ų77.548%0.47541%0.409SS..EExtended strand (participates in β ladder)trans-133.5125.2173.4-175.672178123.54108.9I103 M105 F186I103-R203 HydrophobicContact CB-CB 4.17Å; I103-R203 HydrophobicContact CD1-CB 4.44Å; I103-R203 HydrophobicContact CG2-CB 4.15Å; M105-R203 HydrophobicContact CE-CB 3.57Å; M105-R203 HydrophobicContact CE-CG 3.03Å; F186-R203 PolarHBondContact N-O 3.09Å; F186-R203 PolarHBondContact O-N 3.28Å
204C86.5Confident73.9Confident25 Ų2576.8 Ų76.817%0.16939%0.392CS..EExtended strand (participates in β ladder)trans-107.9146.4179.7-52.90000111.1E183 Y184 C185 Q202E183-C204 HydrophobicContact CG-CB 3.93Å; Y184-C204 CarbonylContact O-C 3.58Å; Y184-C204 VanDerWaalsContact O-CA 3.24Å; Y184-C204 WeakPolarHBondContact O-CA 3.37Å; C185-C204 HydrophobicContact CB-CB 4.09Å; C185-C204 WeakPolarHBondContact CB-SG 3.11Å; C185-C204 WeakPolarHBondContact SG-CB 3.44Å; C185-C204 CovalentContact SG-SG 2.04Å; C185-C204 PolarHBondContact SG-SG 3.09Å; Q202-C204 PolarHBondContact NE2-SG 2.64Å; Q202-C204 VanDerWaalsContact NE2-SG 3.41Å
205V85.5Confident74.5Confident9 Ų973.4 Ų73.46%0.05537%0.373CS..EExtended strand (participates in β ladder)trans-133.7134.9179.9-171.70000108.4M105 D108 L110 E183 Y184 F186M105-V205 HydrophobicContact CE-CG2 3.31Å; M105-V205 HydrophobicContact SD-CG2 3.44Å; M105-V205 WeakPolarHBondContact SD-CG2 3.2Å; D108-V205 VanDerWaalsContact C-CG1 3.49Å; D108-V205 WeakPolarHBondContact O-CG1 3.41Å; L110-V205 HydrophobicContact CD1-CB 3.6Å; L110-V205 HydrophobicContact CD1-CG1 3.66Å; L110-V205 HydrophobicContact CG-CG1 4.43Å; E183-V205 WeakPolarHBondContact CA-O 3.47Å; E183-V205 WeakPolarHBondContact CG-O 3.06Å; Y184-V205 PolarHBondContact N-O 2.88Å; Y184-V205 PolarHBondContact O-N 3.45Å; F186-V205 HydrophobicContact CE2-CG2 4.42Å
206S80.6Confident75.2Confident40 Ų4075.1 Ų75.128%0.2837%0.368SS..EExtended strand (participates in β ladder)trans-83.1145.2178-1690000111P182P182-S206 WeakPolarHBondContact O-CA 3.45Å; P182-S206 PolarHBondContact O-OG 3.4Å
207T78.4Confident76.1Confident6 Ų669.9 Ų69.94%0.03735%0.348CS..SBendtrans-80.6-24.4174.451.20000112.6L110 F111 Y181 P182 Y184 L209L110-T207 HydrophobicContact CD1-CG2 4.3Å; F111-T207 HydrophobicContact CD2-CG2 4.06Å; F111-T207 HydrophobicContact CE2-CG2 3.77Å; Y181-T207 WeakPolarHBondContact O-CB 3.24Å; Y181-T207 WeakPolarHBondContact O-CG2 3.36Å; Y181-T207 PolarHBondContact O-OG1 2.71Å; P182-T207 VanDerWaalsContact C-OG1 3.25Å; P182-T207 WeakPolarHBondContact CA-OG1 3.33Å; P182-T207 PolarHBondContact O-N 3.16Å; P182-T207 VanDerWaalsContact O-N 3.1Å; P182-T207 PolarHBondContact O-OG1 3.19Å; Y184-T207 HydrophobicContact CD2-CG2 3.51Å; Y184-T207 HydrophobicContact CE2-CG2 3.58Å; T207-L209 PolarHBondContact O-N 3.45Å
208E67.1Low76.8Confident42 Ų4275.4 Ų75.420%0.19636%0.363CS..SBendtrans-73.7132.3-179-59.1-172.3152.400111R144 K210 R248 F249R144-E208 IonicContact CZ-OE1 3.79Å; R144-E208 IonicContact CZ-OE2 3.08Å; R144-E208 VanDerWaalsContact NH1-CD 3.26Å; R144-E208 IonicContact NH1-OE1 3.98Å; R144-E208 PolarHBondContact NH1-OE1 3Å; R144-E208 IonicContact NH1-OE2 3.28Å; R144-E208 PolarHBondContact NH1-OE2 2.84Å; R144-E208 VanDerWaalsContact NH1-OE2 3.16Å; R144-E208 IonicContact NH2-OE1 2.74Å; R144-E208 PolarHBondContact NH2-OE1 2.99Å; R144-E208 IonicContact NH2-OE2 2.75Å; R144-E208 PolarHBondContact NH2-OE2 2.95Å; E208-K210 PolarHBondContact O-N 3.33Å; E208-R248 IonicContact OE1-CZ 3.7Å; E208-R248 IonicContact OE1-NE 3Å; E208-R248 IonicContact OE1-NH1 2.62Å; E208-R248 PolarHBondContact OE1-NH1 3.22Å; E208-R248 WeakPolarHBondContact OE2-CD 3.47Å; E208-R248 IonicContact OE2-NH1 3.35Å; E208-F249 HydrophobicContact CB-CD1 4.29Å; E208-F249 HydrophobicContact CB-CE1 3.55Å; E208-F249 HydrophobicContact CB-CZ 4.4Å
209L61.3Low77.6Confident116 Ų11676.4 Ų76.461%0.60737%0.365SS*.  trans-50.6104.7172.2-97.4150.7000109.3T207 T211 F249T207-L209 PolarHBondContact O-N 3.45Å; L209-T211 PolarHBondContact O-N 2.98Å; L209-F249 WeakPolarHBondContact O-CD1 3.27Å; L209-F249 WeakPolarHBondContact O-CE1 3.09Å; L209-F249 VanDerWaalsContact O-CZ 3.27Å; L209-F249 WeakPolarHBondContact O-CZ 3.46Å
210K56.6Low78.2Confident115 Ų11572.4 Ų72.450%0.535%0.348SS..  trans-5982.5169.7-155.4179.9-171.8-176.90108.2R109 E208 R212 F249R109-K210 PolarHBondContact NH1-O 3.22Å; R109-K210 VanDerWaalsContact NH1-O 3.09Å; E208-K210 PolarHBondContact O-N 3.33Å; K210-R212 PolarHBondContact O-N 3.27Å; K210-F249 HydrophobicContact CG-CB 4.35Å
211T54.6Low78.9Confident79 Ų7974 Ų7449%0.48537%0.37SS..  trans-55.9130.1154.949.50000103.9L209 V213 F249L209-T211 PolarHBondContact O-N 2.98Å; T211-V213 PolarHBondContact O-N 2.64Å; T211-F249 WeakPolarHBondContact OG1-CD2 2.82Å; T211-F249 WeakPolarHBondContact OG1-CE2 3.49Å
212R59.7Low79.3Confident241 Ų24176.7 Ų76.791%0.90938%0.376SS*.SBendtrans-56.8-8.4-167.4-67.4-177.8-151.1-132.22.2114.3K210K210-R212 PolarHBondContact O-N 3.27Å
213V73.1Confident79.6Confident105 Ų10578.8 Ų78.864%0.63638%0.383SS*.SBendtrans-98.2114.4179.9-168.30000110.1T211 I215T211-V213 PolarHBondContact O-N 2.64Å; V213-I215 PolarHBondContact O-N 3.47Å
214P74.4Confident79.9Confident54 Ų5475.9 Ų75.935%0.35139%0.393SS..  trans-59.3128.816822.5-29.3000110
215I81.4Confident80.1Confident60 Ų6079.4 Ų79.431%0.30840%0.403SS..BIsolated β-bridgetrans-91.3108.8173.9-63.2174.3000107.1V213 P245 P247 R248 F249 G251V213-I215 PolarHBondContact O-N 3.47Å; I215-P245 HydrophobicContact CG2-CB 4.14Å; I215-P245 HydrophobicContact CG2-CG 3.78Å; I215-P247 CarbonylContact O-C 3.59Å; I215-P247 WeakPolarHBondContact O-CA 3.28Å; I215-R248 HydrophobicContact CB-CB 4.12Å; I215-R248 HydrophobicContact CD1-CB 4.39Å; I215-R248 PolarHBondContact N-O 3.37Å; I215-R248 PolarHBondContact O-N 3.34Å; I215-F249 HydrophobicContact CD1-CD2 3.91Å; I215-F249 HydrophobicContact CD1-CE2 3.58Å; I215-F249 HydrophobicContact CG1-CD2 3.93Å; I215-F249 HydrophobicContact CG1-CE2 4.14Å; I215-G251 WeakPolarHBondContact O-CA 3.49Å
216H83.8Confident80.4Confident83 Ų8380.8 Ų80.838%0.38442%0.419SS..  trans-69.5137.1175.4-62.2-51.8000110.8R252H216-R252 PolarHBondContact ND1-N 3.41Å; H216-R252 VanDerWaalsContact ND1-N 3.13Å
217G87.2Confident80.8Confident11 Ų1184.5 Ų84.511%0.11345%0.445CS..  trans-65.7139.1176.200000110.9P245 R252G217-P245 CarbonylContact C-O 3.58Å; G217-P245 WeakPolarHBondContact CA-O 3.43Å; G217-R252 PolarHBondContact N-O 3.11Å
218R91Very high81.3Confident174 Ų17487.2 Ų87.266%0.65746%0.463SS*.  trans-125148.4170.2-60.917468.4-176.51.6110.6D243 N244 P245 C254R218-D243 PolarHBondContact O-N 3.29Å; R218-N244 VanDerWaalsContact CB-O 3.3Å; R218-N244 WeakPolarHBondContact CB-O 3.39Å; R218-N244 PolarHBondContact O-N 3.27Å; R218-N244 VanDerWaalsContact O-N 3.15Å; R218-P245 PolarHBondContact N-O 3.42Å; R218-C254 VanDerWaalsContact CA-SG 3.59Å; R218-C254 PolarHBondContact N-SG 2.72Å
219W90.9Very high82.2Confident66 Ų6687.8 Ų87.825%0.2547%0.472CS..PPolyproline II helixtrans-64.8137178.6-72.2114.6000111.7R240 C242 C254 E255 G256W219-R240 HydrophobicContact CD2-CG 4.08Å; W219-R240 HydrophobicContact CE3-CB 4.18Å; W219-R240 HydrophobicContact CE3-CG 3.48Å; W219-R240 VanDerWaalsContact CE3-CG 3.48Å; W219-R240 HydrophobicContact CZ3-CG 3.82Å; W219-R240 WeakPolarHBondContact CZ3-O 3.41Å; W219-C242 HydrophobicContact CZ3-CB 4.39Å; W219-C254 HydrophobicContact CD2-CB 3.79Å; W219-C254 HydrophobicContact CE3-CB 4.31Å; W219-C254 HydrophobicContact CG-CB 4.25Å; W219-C254 HydrophobicContact CH2-CB 4.15Å; W219-C254 HydrophobicContact CZ2-CB 3.6Å; W219-C254 HydrophobicContact CZ3-CB 4.48Å; W219-E255 PolarHBondContact NE1-O 3.07Å; W219-G256 WeakPolarHBondContact CZ2-O 3.4Å
220S92.3Very high83.1Confident17 Ų1789.1 Ų89.112%0.11949%0.485CS..PPolyproline II helixtrans-60.8162.2161.9820000110.5F241 D243S220-F241 WeakPolarHBondContact CB-O 3.4Å; S220-F241 PolarHBondContact N-O 3.44Å; S220-F241 PolarHBondContact OG-N 3.32Å; S220-D243 WeakPolarHBondContact CB-OD1 3.47Å
221A94.6Very high84Confident83 Ų8386.1 Ų86.169%0.68649%0.486SS*.PPolyproline II helixtrans-56.9147.8161.200000109.7K223A221-K223 PolarHBondContact O-N 3.29Å
222W92.6Very high84.8Confident76 Ų7686.3 Ų86.329%0.28849%0.49SS..PPolyproline II helixtrans-59.7134.7173.7-74.2105.6000110.3R238 R240 E260W222-R238 HydrophobicContact CD2-CG 4.3Å; W222-R238 HydrophobicContact CE3-CB 4.31Å; W222-R238 HydrophobicContact CE3-CG 3.61Å; W222-R238 HydrophobicContact CZ3-CG 3.89Å; W222-R240 HydrophobicContact CD2-CB 4.06Å; W222-R240 HydrophobicContact CD2-CG 4.08Å; W222-R240 HydrophobicContact CE3-CB 3.78Å; W222-R240 HydrophobicContact CE3-CG 3.77Å; W222-R240 HydrophobicContact CH2-CG 3.75Å; W222-R240 HydrophobicContact CZ2-CG 4.06Å; W222-R240 HydrophobicContact CZ3-CB 4.1Å; W222-R240 HydrophobicContact CZ3-CG 3.6Å; W222-E260 HydrophobicContact CH2-CB 3.72Å; W222-E260 HydrophobicContact CZ2-CB 4.44Å; W222-E260 WeakPolarHBondContact CZ2-OE2 2.85Å; W222-E260 HydrophobicContact CZ3-CB 3.93Å
223K92.7Very high85.7Confident126 Ų12680.7 Ų80.755%0.54848%0.478SS..PPolyproline II helixtrans-65.9159.7164.9-63.1-65.2-176178.70109.4A221 F239 F241A221-K223 PolarHBondContact O-N 3.29Å; K223-F239 WeakPolarHBondContact CB-O 3.41Å; K223-F239 WeakPolarHBondContact CG-O 3.36Å; K223-F239 PolarHBondContact N-O 3.33Å; K223-F241 HydrophobicContact CG-CE2 4.49Å
224G93Very high86.3Confident66 Ų6676 Ų7668%0.6845%0.451SS*.PPolyproline II helixtrans-56.6156.6172.600000111.5G226G224-G226 PolarHBondContact O-N 3.39Å
225W92.3Very high87.1Confident99 Ų9975.4 Ų75.438%0.37545%0.446SS..PPolyproline II helixtrans-62.5134.7173.8-69.1104.7000110.5Q236 R238 E260 A262W225-Q236 VanDerWaalsContact CB-OE1 3.24Å; W225-Q236 HydrophobicContact CD2-CG 4.12Å; W225-Q236 HydrophobicContact CE3-CB 4.13Å; W225-Q236 HydrophobicContact CE3-CG 3.57Å; W225-Q236 HydrophobicContact CZ3-CG 4.1Å; W225-R238 HydrophobicContact CD2-CB 4.09Å; W225-R238 HydrophobicContact CD2-CG 4.21Å; W225-R238 HydrophobicContact CE3-CB 3.76Å; W225-R238 HydrophobicContact CE3-CG 3.85Å; W225-R238 HydrophobicContact CH2-CG 3.77Å; W225-R238 HydrophobicContact CZ2-CG 4.15Å; W225-R238 HydrophobicContact CZ3-CB 4.03Å; W225-R238 HydrophobicContact CZ3-CG 3.62Å; W225-E260 HydrophobicContact CH2-CG 4.13Å; W225-A262 HydrophobicContact CE3-CB 4.33Å; W225-A262 HydrophobicContact CH2-CB 3.33Å; W225-A262 HydrophobicContact CZ2-CB 3.97Å; W225-A262 HydrophobicContact CZ3-CB 3.54Å
226G91.2Very high87.6Confident37 Ų3774.5 Ų74.538%0.38144%0.44SS..PPolyproline II helixtrans-69.2171.6170.300000111.9G224 Q236 H237G224-G226 PolarHBondContact O-N 3.39Å; G226-Q236 WeakPolarHBondContact O-CB 3.3Å; G226-H237 PolarHBondContact N-O 2.74Å
227S89.4Confident88.1Confident118 Ų11873.9 Ų73.983%0.82544%0.437SS*.PPolyproline II helixtrans-60.1144.6174.9-55.40000111.4
228C89.4Confident88.5Confident64 Ų6476 Ų7643%0.43244%0.442SS..PPolyproline II helixtrans-66.3136.2174-66.60000111.1A234 C264C228-A234 HydrophobicContact CB-CB 4.38Å; C228-C264 VanDerWaalsContact CA-SG 3.53Å; C228-C264 HydrophobicContact CB-CB 3.54Å; C228-C264 WeakPolarHBondContact CB-SG 3.41Å; C228-C264 WeakPolarHBondContact SG-CB 3.35Å; C228-C264 CovalentContact SG-SG 2.02Å; C228-C264 PolarHBondContact SG-SG 3.31Å
229S85.5Confident88.6Confident53 Ų5372.3 Ų72.337%0.37143%0.431SS..PPolyproline II helixtrans-62.1149.8170.969.50000110.8A234 V235S229-A234 WeakPolarHBondContact O-CB 3.29Å; S229-A234 WeakPolarHBondContact OG-CA 3.16Å; S229-V235 PolarHBondContact N-O 3.38Å; S229-V235 PolarHBondContact OG-N 3.01Å; S229-V235 PolarHBondContact OG-O 3.15Å
230T80.5Confident88.7Confident145 Ų14571.5 Ų71.589%0.8943%0.428SS*.SBendtrans-79.8130.2178.450.40000111.2
231G73.7Confident88.6Confident51 Ų5175.1 Ų75.153%0.52644%0.442SS..SBendtrans137171.9173.100000114.4N233 A234 S266G231-N233 PolarHBondContact O-N 2.92Å; G231-A234 PolarHBondContact O-N 3.2Å; G231-S266 WeakPolarHBondContact O-CB 3.49Å
232C71.7Confident88.3Confident84 Ų8472.9 Ų72.957%0.56842%0.421SS*.THydrogen-bonded Turntrans-68.9126.6167.7-61.50000108.9C268C232-C268 WeakPolarHBondContact CA-SG 3.49Å; C232-C268 HydrophobicContact CB-CB 4.15Å; C232-C268 WeakPolarHBondContact CB-SG 3.27Å; C232-C268 WeakPolarHBondContact SG-CB 3.46Å; C232-C268 CovalentContact SG-SG 2.02Å; C232-C268 PolarHBondContact SG-SG 3.41Å
233N80.1Confident88.1Confident122 Ų12273.1 Ų73.165%0.65243%0.427SS*.THydrogen-bonded Turntrans7542.8-167.7-48.3-55000114.1G231 S266G231-N233 PolarHBondContact O-N 2.92Å; N233-S266 WeakPolarHBondContact CA-OG 3.36Å; N233-S266 PolarHBondContact N-OG 2.95Å
234A85.5Confident87.8Confident7 Ų772.3 Ų72.36%0.05843%0.429CS..  trans-50.9141.4171.700000112.1C228 S229 G231 R263 C264 S266C228-A234 HydrophobicContact CB-CB 4.38Å; S229-A234 WeakPolarHBondContact O-CB 3.29Å; S229-A234 WeakPolarHBondContact OG-CA 3.16Å; G231-A234 PolarHBondContact O-N 3.2Å; A234-R263 WeakPolarHBondContact O-CA 3.33Å; A234-C264 HydrophobicContact CB-CB 3.72Å; A234-C264 PolarHBondContact O-N 2.78Å; A234-S266 PolarHBondContact N-OG 2.87Å
235V90.5Very high87.5Confident42 Ų4271.6 Ų71.626%0.25541%0.412SS..EExtended strand (participates in β ladder)trans-126.9150.2175.8-65.80000110.9S229 T261 A262 R263S229-V235 PolarHBondContact N-O 3.38Å; S229-V235 PolarHBondContact OG-N 3.01Å; S229-V235 PolarHBondContact OG-O 3.15Å; V235-T261 HydrophobicContact CB-CG2 3.83Å; V235-T261 HydrophobicContact CG1-CG2 4.14Å; V235-T261 HydrophobicContact CG2-CG2 4.3Å; V235-A262 CarbonylContact C-O 3.52Å; V235-A262 VanDerWaalsContact CA-O 3.27Å; V235-A262 WeakPolarHBondContact CA-O 3.32Å; V235-R263 HydrophobicContact CG1-CG 4.43Å
236Q92.6Very high87Confident41 Ų4168.6 Ų68.619%0.19241%0.406CS..EExtended strand (participates in β ladder)trans-121.7147.9172.351.5-173.3-18.400109.4W225 G226 T261 A262 C264W225-Q236 VanDerWaalsContact CB-OE1 3.24Å; W225-Q236 HydrophobicContact CD2-CG 4.12Å; W225-Q236 HydrophobicContact CE3-CB 4.13Å; W225-Q236 HydrophobicContact CE3-CG 3.57Å; W225-Q236 HydrophobicContact CZ3-CG 4.1Å; G226-Q236 WeakPolarHBondContact O-CB 3.3Å; Q236-T261 CarbonylContact O-C 3.6Å; Q236-T261 WeakPolarHBondContact O-CA 3.45Å; Q236-A262 HydrophobicContact CG-CB 4.12Å; Q236-A262 WeakPolarHBondContact CG-O 3.06Å; Q236-A262 PolarHBondContact N-O 3.24Å; Q236-A262 PolarHBondContact O-N 3.39Å; Q236-C264 WeakPolarHBondContact CB-SG 3.44Å; Q236-C264 VanDerWaalsContact CD-SG 3.59Å; Q236-C264 WeakPolarHBondContact CG-SG 2.97Å
237H93.7Very high86.5Confident69 Ų6968 Ų6832%0.31940%0.395SS..EExtended strand (participates in β ladder)trans-114.2144.4178.4-56.2-71.9000110.4G226 F239 E260 T261G226-H237 PolarHBondContact N-O 2.74Å; H237-F239 HydrophobicContact CB-CE2 4.08Å; H237-F239 HydrophobicContact CB-CZ 4.02Å; H237-E260 CarbonylContact C-O 3.55Å; H237-E260 VanDerWaalsContact CA-O 3.28Å; H237-E260 WeakPolarHBondContact CA-O 3.02Å; H237-T261 VanDerWaalsContact CE1-CG2 3.49Å; H237-T261 WeakPolarHBondContact CE1-CG2 3.28Å; H237-T261 PolarHBondContact CE1-OG1 2.94Å; H237-T261 PolarHBondContact ND1-OG1 3.43Å
238R95.1Very high85.7Confident57 Ų5767 Ų6722%0.21537%0.373CS..EExtended strand (participates in β ladder)trans-127.1151.4164.866.5174.4-176.5-169.7-4.3110.2W222 W225 M259 E260W222-R238 HydrophobicContact CD2-CG 4.3Å; W222-R238 HydrophobicContact CE3-CB 4.31Å; W222-R238 HydrophobicContact CE3-CG 3.61Å; W222-R238 HydrophobicContact CZ3-CG 3.89Å; W225-R238 HydrophobicContact CD2-CB 4.09Å; W225-R238 HydrophobicContact CD2-CG 4.21Å; W225-R238 HydrophobicContact CE3-CB 3.76Å; W225-R238 HydrophobicContact CE3-CG 3.85Å; W225-R238 HydrophobicContact CH2-CG 3.77Å; W225-R238 HydrophobicContact CZ2-CG 4.15Å; W225-R238 HydrophobicContact CZ3-CB 4.03Å; W225-R238 HydrophobicContact CZ3-CG 3.62Å; R238-M259 WeakPolarHBondContact O-CA 3.3Å; R238-E260 HydrophobicContact CG-CB 3.87Å; R238-E260 IonicContact CZ-OE1 3.46Å; R238-E260 IonicContact CZ-OE2 2.64Å; R238-E260 PolarHBondContact N-O 2.91Å; R238-E260 IonicContact NE-OE1 2.73Å; R238-E260 IonicContact NE-OE2 3.84Å; R238-E260 PolarHBondContact NE-OE2 3.17Å; R238-E260 IonicContact NH2-OE1 3.13Å; R238-E260 PolarHBondContact NH2-OE1 3.48Å; R238-E260 VanDerWaalsContact NH2-OE1 3.13Å; R238-E260 IonicContact NH2-OE2 3.91Å; R238-E260 PolarHBondContact NH2-OE2 3.42Å; R238-E260 PolarHBondContact O-N 3.13Å
239F93.5Very high84.8Confident96 Ų9665.8 Ų65.842%0.42136%0.361SS..EExtended strand (participates in β ladder)trans-124.5150.2-175.3-56.1-87.1000110.9K223 H237 G258 M259K223-F239 WeakPolarHBondContact CB-O 3.41Å; K223-F239 WeakPolarHBondContact CG-O 3.36Å; K223-F239 PolarHBondContact N-O 3.33Å; H237-F239 HydrophobicContact CB-CE2 4.08Å; H237-F239 HydrophobicContact CB-CZ 4.02Å; F239-G258 WeakPolarHBondContact CA-O 3.45Å; F239-M259 HydrophobicContact CD1-CB 4Å; F239-M259 HydrophobicContact CD1-CG 3.87Å; F239-M259 HydrophobicContact CD1-SD 4.44Å; F239-M259 HydrophobicContact CE1-CB 4.07Å; F239-M259 HydrophobicContact CE1-CG 3.53Å; F239-M259 HydrophobicContact CE1-SD 3.58Å; F239-M259 VanDerWaalsContact CE1-SD 3.58Å; F239-M259 HydrophobicContact CZ-CG 4.25Å; F239-M259 HydrophobicContact CZ-SD 4.13Å
240R93.6Very high84Confident49 Ų4967 Ų6719%0.18538%0.382CS..  trans-135.7150.3166.358.9175.1-178179.21.5109.1W219 W222 V257 G258W219-R240 HydrophobicContact CD2-CG 4.08Å; W219-R240 HydrophobicContact CE3-CB 4.18Å; W219-R240 HydrophobicContact CE3-CG 3.48Å; W219-R240 VanDerWaalsContact CE3-CG 3.48Å; W219-R240 HydrophobicContact CZ3-CG 3.82Å; W219-R240 WeakPolarHBondContact CZ3-O 3.41Å; W222-R240 HydrophobicContact CD2-CB 4.06Å; W222-R240 HydrophobicContact CD2-CG 4.08Å; W222-R240 HydrophobicContact CE3-CB 3.78Å; W222-R240 HydrophobicContact CE3-CG 3.77Å; W222-R240 HydrophobicContact CH2-CG 3.75Å; W222-R240 HydrophobicContact CZ2-CG 4.06Å; W222-R240 HydrophobicContact CZ3-CB 4.1Å; W222-R240 HydrophobicContact CZ3-CG 3.6Å; R240-V257 PolarHBondContact NE-O 2.03Å; R240-V257 PolarHBondContact NH2-O 3.38Å; R240-G258 PolarHBondContact N-O 2.98Å
241F90.5Very high83.8Confident93 Ų9360.5 Ų60.541%0.40834%0.344SS..  trans-113.1155.7-177.3-61.3-77.5000110.7S220 K223 D243S220-F241 WeakPolarHBondContact CB-O 3.4Å; S220-F241 PolarHBondContact N-O 3.44Å; S220-F241 PolarHBondContact OG-N 3.32Å; K223-F241 HydrophobicContact CG-CE2 4.49Å; F241-D243 VanDerWaalsContact C-N 3.3Å; F241-D243 HydrophobicContact CB-CB 4.45Å; F241-D243 PolarHBondContact O-N 2.93Å
242C88.4Confident84.1Confident36 Ų3666.1 Ų66.124%0.24335%0.349CS..SBendtrans-91.463.9177.6-171.20000110W219 P246 P247 C254W219-C242 HydrophobicContact CZ3-CB 4.39Å; C242-P246 WeakPolarHBondContact O-CA 3.45Å; C242-P247 WeakPolarHBondContact O-CD 3.01Å; C242-C254 VanDerWaalsContact CA-SG 3.5Å; C242-C254 HydrophobicContact CB-CB 3.81Å; C242-C254 WeakPolarHBondContact CB-SG 3.44Å; C242-C254 WeakPolarHBondContact SG-CB 3.36Å; C242-C254 PolarHBondContact SG-N 3.43Å; C242-C254 CovalentContact SG-SG 2.03Å; C242-C254 PolarHBondContact SG-SG 3.46Å
243D87.2Confident84.7Confident81 Ų8168.6 Ų68.643%0.43335%0.351SS..  trans-131.58.1-168.367.2-3000114.9R218 S220 F241 P245 P246R218-D243 PolarHBondContact O-N 3.29Å; S220-D243 WeakPolarHBondContact CB-OD1 3.47Å; F241-D243 VanDerWaalsContact C-N 3.3Å; F241-D243 HydrophobicContact CB-CB 4.45Å; F241-D243 PolarHBondContact O-N 2.93Å; D243-P245 VanDerWaalsContact C-C 3.41Å; D243-P246 VanDerWaalsContact O-CD 3.29Å; D243-P246 WeakPolarHBondContact O-CD 3.48Å
244N85.9Confident85.1Confident109 Ų10963.9 Ų63.958%0.58333%0.327SS*.SBendtrans-132.368-176.1-166.826.4000115.2R218R218-N244 VanDerWaalsContact CB-O 3.3Å; R218-N244 WeakPolarHBondContact CB-O 3.39Å; R218-N244 PolarHBondContact O-N 3.27Å; R218-N244 VanDerWaalsContact O-N 3.15Å
245P87.4Confident85.3Confident50 Ų5071 Ų7133%0.32536%0.359SS..SBendcis-88160.82.333.9-33.7000112.4I215 G217 R218 D243I215-P245 HydrophobicContact CG2-CB 4.14Å; I215-P245 HydrophobicContact CG2-CG 3.78Å; G217-P245 CarbonylContact C-O 3.58Å; G217-P245 WeakPolarHBondContact CA-O 3.43Å; R218-P245 PolarHBondContact N-O 3.42Å; D243-P245 VanDerWaalsContact C-C 3.41Å
246P82.1Confident85.3Confident37 Ų3772 Ų7224%0.2438%0.377CS..PPolyproline II helixtrans-70.3148.4171.929.8-31.9000110.3C242 D243 R248C242-P246 WeakPolarHBondContact O-CA 3.45Å; D243-P246 VanDerWaalsContact O-CD 3.29Å; D243-P246 WeakPolarHBondContact O-CD 3.48Å; P246-R248 PolarHBondContact O-N 3.45Å
247P81.2Confident85.1Confident25 Ų2574.6 Ų74.616%0.16240%0.396CS..PPolyproline II helixtrans-62.8126.9177.723.6-30.3000110.7I215 C242 F253I215-P247 CarbonylContact O-C 3.59Å; I215-P247 WeakPolarHBondContact O-CA 3.28Å; C242-P247 WeakPolarHBondContact O-CD 3.01Å; P247-F253 HydrophobicContact CG-CD1 3.81Å; P247-F253 HydrophobicContact CG-CE1 4.01Å
248R72.2Confident85Confident96 Ų9672.6 Ų72.636%0.36239%0.394SS..BIsolated β-bridgetrans-133.2161.2177.7-55.7-169.1-178.4-153.510.8111.6E208 I215 P246 G250 G251E208-R248 IonicContact OE1-CZ 3.7Å; E208-R248 IonicContact OE1-NE 3Å; E208-R248 IonicContact OE1-NH1 2.62Å; E208-R248 PolarHBondContact OE1-NH1 3.22Å; E208-R248 WeakPolarHBondContact OE2-CD 3.47Å; E208-R248 IonicContact OE2-NH1 3.35Å; I215-R248 HydrophobicContact CB-CB 4.12Å; I215-R248 HydrophobicContact CD1-CB 4.39Å; I215-R248 PolarHBondContact N-O 3.37Å; I215-R248 PolarHBondContact O-N 3.34Å; P246-R248 PolarHBondContact O-N 3.45Å; R248-G250 VanDerWaalsContact C-N 3.27Å; R248-G250 PolarHBondContact O-N 3.12Å; R248-G251 PolarHBondContact O-N 2.86Å
249F70.4Confident84.9Confident38 Ų3874.4 Ų74.417%0.16741%0.406CS..THydrogen-bonded Turntrans56.832.4174.1-44.2-55.3000115.4E208 L209 K210 T211 I215 G251E208-F249 HydrophobicContact CB-CD1 4.29Å; E208-F249 HydrophobicContact CB-CE1 3.55Å; E208-F249 HydrophobicContact CB-CZ 4.4Å; L209-F249 WeakPolarHBondContact O-CD1 3.27Å; L209-F249 WeakPolarHBondContact O-CE1 3.09Å; L209-F249 VanDerWaalsContact O-CZ 3.27Å; L209-F249 WeakPolarHBondContact O-CZ 3.46Å; K210-F249 HydrophobicContact CG-CB 4.35Å; T211-F249 WeakPolarHBondContact OG1-CD2 2.82Å; T211-F249 WeakPolarHBondContact OG1-CE2 3.49Å; I215-F249 HydrophobicContact CD1-CD2 3.91Å; I215-F249 HydrophobicContact CD1-CE2 3.58Å; I215-F249 HydrophobicContact CG1-CD2 3.93Å; I215-F249 HydrophobicContact CG1-CE2 4.14Å; F249-G251 VanDerWaalsContact C-N 3.34Å
250G69.7Low84.9Confident80 Ų8073 Ų7383%0.82540%0.401SS*.THydrogen-bonded Turntrans80.115.4-175.900000113.9R248R248-G250 VanDerWaalsContact C-N 3.27Å; R248-G250 PolarHBondContact O-N 3.12Å
251G74.8Confident84.8Confident8 Ų874.1 Ų74.18%0.08241%0.413CS..PPolyproline II helixtrans-63.3142.4170.400000112.5I215 R248 F249I215-G251 WeakPolarHBondContact O-CA 3.49Å; R248-G251 PolarHBondContact O-N 2.86Å; F249-G251 VanDerWaalsContact C-N 3.34Å
252R79.6Confident84.9Confident168 Ų16871 Ų7163%0.63440%0.404SS*.PPolyproline II helixtrans-51.3141.3172.5-61.5-178.1-119.3-168.9-2112.3H216 G217H216-R252 PolarHBondContact ND1-N 3.41Å; H216-R252 VanDerWaalsContact ND1-N 3.13Å; G217-R252 PolarHBondContact N-O 3.11Å
253F84.1Confident84.9Confident137 Ų13779 Ų7960%0.60143%0.43SS*.PPolyproline II helixtrans-68.5160.7169-70.2-83.1000110.9P247 E255P247-F253 HydrophobicContact CG-CD1 3.81Å; P247-F253 HydrophobicContact CG-CE1 4.01Å; F253-E255 PolarHBondContact O-N 3.3Å
254C89.5Confident84.8Confident23 Ų2375.8 Ų75.816%0.15541%0.413CS..PPolyproline II helixtrans-63.8129.4177.8-61.30000111.1R218 W219 C242R218-C254 VanDerWaalsContact CA-SG 3.59Å; R218-C254 PolarHBondContact N-SG 2.72Å; W219-C254 HydrophobicContact CD2-CB 3.79Å; W219-C254 HydrophobicContact CE3-CB 4.31Å; W219-C254 HydrophobicContact CG-CB 4.25Å; W219-C254 HydrophobicContact CH2-CB 4.15Å; W219-C254 HydrophobicContact CZ2-CB 3.6Å; W219-C254 HydrophobicContact CZ3-CB 4.48Å; C242-C254 VanDerWaalsContact CA-SG 3.5Å; C242-C254 HydrophobicContact CB-CB 3.81Å; C242-C254 WeakPolarHBondContact CB-SG 3.44Å; C242-C254 WeakPolarHBondContact SG-CB 3.36Å; C242-C254 PolarHBondContact SG-N 3.43Å; C242-C254 CovalentContact SG-SG 2.03Å; C242-C254 PolarHBondContact SG-SG 3.46Å
255E89.2Confident84Confident157 Ų15778 Ų7873%0.73442%0.424SS*.PPolyproline II helixtrans-86136.2174.8-68.4176.3-173.500110.3W219 F253W219-E255 PolarHBondContact NE1-O 3.07Å; F253-E255 PolarHBondContact O-N 3.3Å
256G90.6Very high82.7Confident62 Ų6277.3 Ų77.364%0.63942%0.421SS*.SBendtrans112.9-175.4179.300000114.6W219W219-G256 WeakPolarHBondContact CZ2-O 3.4Å
257V89.5Confident81.5Confident95 Ų9579.3 Ų79.358%0.57644%0.436SS*.  trans-83.3136.3-177.2-67.40000112.3R240R240-V257 PolarHBondContact NE-O 2.03Å; R240-V257 PolarHBondContact NH2-O 3.38Å
258G90.3Very high80.5Confident27 Ų2781 Ų8128%0.27845%0.448SS..SBendtrans-90-13.7174.500000114.3F239 R240F239-G258 WeakPolarHBondContact CA-O 3.45Å; R240-G258 PolarHBondContact N-O 2.98Å
259M93.9Very high79.7Confident95 Ų9585.5 Ų85.547%0.46847%0.472SS..EExtended strand (participates in β ladder)trans-127.9137.3179-176.9-177.979.200109R238 F239R238-M259 WeakPolarHBondContact O-CA 3.3Å; F239-M259 HydrophobicContact CD1-CB 4Å; F239-M259 HydrophobicContact CD1-CG 3.87Å; F239-M259 HydrophobicContact CD1-SD 4.44Å; F239-M259 HydrophobicContact CE1-CB 4.07Å; F239-M259 HydrophobicContact CE1-CG 3.53Å; F239-M259 HydrophobicContact CE1-SD 3.58Å; F239-M259 VanDerWaalsContact CE1-SD 3.58Å; F239-M259 HydrophobicContact CZ-CG 4.25Å; F239-M259 HydrophobicContact CZ-SD 4.13Å
260E92.9Very high78.8Confident67 Ų6786.2 Ų86.231%0.31349%0.491SS..EExtended strand (participates in β ladder)trans-125.9143173.5-174.6177.4168.500109.7W222 W225 H237 R238W222-E260 HydrophobicContact CH2-CB 3.72Å; W222-E260 HydrophobicContact CZ2-CB 4.44Å; W222-E260 WeakPolarHBondContact CZ2-OE2 2.85Å; W222-E260 HydrophobicContact CZ3-CB 3.93Å; W225-E260 HydrophobicContact CH2-CG 4.13Å; H237-E260 CarbonylContact C-O 3.55Å; H237-E260 VanDerWaalsContact CA-O 3.28Å; H237-E260 WeakPolarHBondContact CA-O 3.02Å; R238-E260 HydrophobicContact CG-CB 3.87Å; R238-E260 IonicContact CZ-OE1 3.46Å; R238-E260 IonicContact CZ-OE2 2.64Å; R238-E260 PolarHBondContact N-O 2.91Å; R238-E260 IonicContact NE-OE1 2.73Å; R238-E260 IonicContact NE-OE2 3.84Å; R238-E260 PolarHBondContact NE-OE2 3.17Å; R238-E260 IonicContact NH2-OE1 3.13Å; R238-E260 PolarHBondContact NH2-OE1 3.48Å; R238-E260 VanDerWaalsContact NH2-OE1 3.13Å; R238-E260 IonicContact NH2-OE2 3.91Å; R238-E260 PolarHBondContact NH2-OE2 3.42Å; R238-E260 PolarHBondContact O-N 3.13Å
261T92.4Very high77.6Confident72 Ų7293.1 Ų93.144%0.44249%0.492SS..EExtended strand (participates in β ladder)trans-120.8126.1-178.1-54.10000108.4V235 Q236 H237V235-T261 HydrophobicContact CB-CG2 3.83Å; V235-T261 HydrophobicContact CG1-CG2 4.14Å; V235-T261 HydrophobicContact CG2-CG2 4.3Å; Q236-T261 CarbonylContact O-C 3.6Å; Q236-T261 WeakPolarHBondContact O-CA 3.45Å; H237-T261 VanDerWaalsContact CE1-CG2 3.49Å; H237-T261 WeakPolarHBondContact CE1-CG2 3.28Å; H237-T261 PolarHBondContact CE1-OG1 2.94Å; H237-T261 PolarHBondContact ND1-OG1 3.43Å
262A91.2Very high76.2Confident27 Ų2798.6 Ų98.622%0.22352%0.518CS..EExtended strand (participates in β ladder)trans-120.2151.4173.100000110.2W225 V235 Q236W225-A262 HydrophobicContact CE3-CB 4.33Å; W225-A262 HydrophobicContact CH2-CB 3.33Å; W225-A262 HydrophobicContact CZ2-CB 3.97Å; W225-A262 HydrophobicContact CZ3-CB 3.54Å; V235-A262 CarbonylContact C-O 3.52Å; V235-A262 VanDerWaalsContact CA-O 3.27Å; V235-A262 WeakPolarHBondContact CA-O 3.32Å; Q236-A262 HydrophobicContact CG-CB 4.12Å; Q236-A262 WeakPolarHBondContact CG-O 3.06Å; Q236-A262 PolarHBondContact N-O 3.24Å; Q236-A262 PolarHBondContact O-N 3.39Å
263R88.1Confident74.3Confident206 Ų20693.4 Ų93.478%0.77750%0.504SS*.EExtended strand (participates in β ladder)trans-72.3141.1170.2-70.2-177.4-177.5152.50.3109.8A234 V235A234-R263 WeakPolarHBondContact O-CA 3.33Å; V235-R263 HydrophobicContact CG1-CG 4.43Å
264C85.4Confident72.5Confident12 Ų1293.7 Ų93.78%0.08151%0.51CS..  trans-96.3152.5168.7-65.90000109.7C228 A234 Q236 S266C228-C264 VanDerWaalsContact CA-SG 3.53Å; C228-C264 HydrophobicContact CB-CB 3.54Å; C228-C264 WeakPolarHBondContact CB-SG 3.41Å; C228-C264 WeakPolarHBondContact SG-CB 3.35Å; C228-C264 CovalentContact SG-SG 2.02Å; C228-C264 PolarHBondContact SG-SG 3.31Å; A234-C264 HydrophobicContact CB-CB 3.72Å; A234-C264 PolarHBondContact O-N 2.78Å; Q236-C264 WeakPolarHBondContact CB-SG 3.44Å; Q236-C264 VanDerWaalsContact CD-SG 3.59Å; Q236-C264 WeakPolarHBondContact CG-SG 2.97Å; C264-S266 VanDerWaalsContact C-N 3.31Å; C264-S266 PolarHBondContact O-N 3.46Å
265N70.1Confident70.5Confident155 Ų15595.6 Ų95.683%0.82952%0.524SS*.  trans-7189.2178.1-157.716.3000110
266S60Low68.4Low37 Ų3794.3 Ų94.326%0.25952%0.518SS..  trans-93.884.7163.459.30000106.9G231 N233 A234 C264 C268G231-S266 WeakPolarHBondContact O-CB 3.49Å; N233-S266 WeakPolarHBondContact CA-OG 3.36Å; N233-S266 PolarHBondContact N-OG 2.95Å; A234-S266 PolarHBondContact N-OG 2.87Å; C264-S266 VanDerWaalsContact C-N 3.31Å; C264-S266 PolarHBondContact O-N 3.46Å; S266-C268 PolarHBondContact O-N 2.93Å
267S57.5Low65.9Low78 Ų7898.4 Ų98.455%0.54552%0.519SS..  trans-61.978.9157.5-45.70000106.9H269S267-H269 PolarHBondContact O-N 3.44Å
268C59.2Low63.2Low62 Ų62100.8 Ų100.842%0.41952%0.521SS..  trans-63.3103.2155.9-71.30000103.6C232 S266 G270C232-C268 WeakPolarHBondContact CA-SG 3.49Å; C232-C268 HydrophobicContact CB-CB 4.15Å; C232-C268 WeakPolarHBondContact CB-SG 3.27Å; C232-C268 WeakPolarHBondContact SG-CB 3.46Å; C232-C268 CovalentContact SG-SG 2.02Å; C232-C268 PolarHBondContact SG-SG 3.41Å; S266-C268 PolarHBondContact O-N 2.93Å; C268-G270 PolarHBondContact O-N 2.85Å
269H55.8Low60.4Low189 Ų189105.6 Ų105.688%0.87554%0.54SS*.  trans-65.160.9163.3-93.5-82.5000107.9S267 R271S267-H269 PolarHBondContact O-N 3.44Å; H269-R271 VanDerWaalsContact C-N 3.35Å
270G51.2Low57.4Low53 Ų53105.7 Ų105.755%0.54655%0.55SS.*  trans-10166.4164.500000106.4C268 L272C268-G270 PolarHBondContact O-N 2.85Å; G270-L272 PolarHBondContact O-N 3.47Å
271R44.7Very low54.5Low225 Ų225106.7 Ų106.785%0.84957%0.565SS**  trans-65.575.6138-125.6-173.4-170.5161.61.3104.4H269 N273H269-R271 VanDerWaalsContact C-N 3.35Å; R271-N273 PolarHBondContact O-N 2.93Å
272L45.1Very low51.6Low123 Ų123110.6 Ų110.664%0.64458%0.578SS**  trans-70.290.6151-68.5176.7000102.3G270 L274 F277G270-L272 PolarHBondContact O-N 3.47Å; L272-L274 PolarHBondContact O-N 2.9Å; L272-F277 HydrophobicContact CD2-CD2 4.12Å; L272-F277 HydrophobicContact CD2-CE2 3.97Å
273N39.2Very low48.8Very low60 Ų60118.3 Ų118.332%0.32161%0.609SS.*  trans-53.9102.6158.1-115.4-22.3000104.3R271 S275 E276 F277R271-N273 PolarHBondContact O-N 2.93Å; N273-S275 VanDerWaalsContact CG-OG 3.28Å; N273-S275 PolarHBondContact O-N 2.84Å; N273-S275 PolarHBondContact OD1-OG 3.43Å; N273-S275 VanDerWaalsContact OD1-OG 3.13Å; N273-E276 HydrophobicContact CB-CB 3.76Å; N273-E276 HydrophobicContact CB-CG 3.92Å; N273-E276 WeakPolarHBondContact CB-OE2 3.48Å; N273-E276 PolarHBondContact ND2-OE2 2.95Å; N273-E276 PolarHBondContact O-N 2.91Å; N273-F277 PolarHBondContact O-N 2.8Å
274L47Very low45.9Very low142 Ų142113.6 Ų113.674%0.74361%0.608SS**THydrogen-bonded Turntrans-60.8-2.5168.2-100.9151.2000111.2L272 F278L272-L274 PolarHBondContact O-N 2.9Å; L274-F278 HydrophobicContact CD2-CE2 4.32Å; L274-F278 WeakPolarHBondContact O-CD2 3.39Å
275S47.6Very low43.1Very low63 Ų63121.8 Ų121.844%0.44165%0.647SS.*THydrogen-bonded Turntrans-93-25.2166.449.60000114.8N273 L279N273-S275 VanDerWaalsContact CG-OG 3.28Å; N273-S275 PolarHBondContact O-N 2.84Å; N273-S275 PolarHBondContact OD1-OG 3.43Å; N273-S275 VanDerWaalsContact OD1-OG 3.13Å; S275-L279 WeakPolarHBondContact O-CD1 3.48Å
276E45.9Very low41.1Very low130 Ų130120.3 Ų120.361%0.60764%0.644SS**THydrogen-bonded Turntrans-94.2-20.7-176.9-79.3174.4150.600113.4N273N273-E276 HydrophobicContact CB-CB 3.76Å; N273-E276 HydrophobicContact CB-CG 3.92Å; N273-E276 WeakPolarHBondContact CB-OE2 3.48Å; N273-E276 PolarHBondContact ND2-OE2 2.95Å; N273-E276 PolarHBondContact O-N 2.91Å
277F37.2Very low39.7Very low149 Ų149124.8 Ų124.865%0.65467%0.669SS**SBendtrans-77.8-20.9170.9-114.3-87.6000113.2L272 N273L272-F277 HydrophobicContact CD2-CD2 4.12Å; L272-F277 HydrophobicContact CD2-CE2 3.97Å; N273-F277 PolarHBondContact O-N 2.8Å
278F32.5Very low38.3Very low144 Ų144126.1 Ų126.163%0.63268%0.679SS**SBendtrans-85.5-17174.8-87.3-85.1000113.4L274L274-F278 HydrophobicContact CD2-CE2 4.32Å; L274-F278 WeakPolarHBondContact O-CD2 3.39Å
279L31.3Very low37.1Very low128 Ų128131.9 Ų131.967%0.6770%0.699SS**THydrogen-bonded Turntrans-95.9-0.7-178.3-83.3162.2000114.4S275S275-L279 WeakPolarHBondContact O-CD1 3.48Å
280S31Very low35.8Very low98 Ų98132.1 Ų132.169%0.68570%0.701SS**THydrogen-bonded Turntrans-104.49.8172.665.80000114.2
281S33.2Very low35.2Very low88 Ų88132.1 Ų132.162%0.61570%0.696SS**SBendtrans-119.56.2175.651.10000114.8
282E29.7Very low35.3Very low154 Ų154127.7 Ų127.772%0.7270%0.696SS**SBendtrans-90.85.7178.3-77.4-168.8162.600115.2
283H33.6Very low35.4Very low189 Ų189124.5 Ų124.588%0.87569%0.687SS**SBendtrans-119.877174-98.6-139.1000111.2
284S27.8Very low35.7Very low107 Ų107130.5 Ų130.575%0.74871%0.707SS**SBendtrans161.565.8130.172.40000112.7
285M25.4Very low35.5Very low184 Ų184127.9 Ų127.991%0.90670%0.699SS**  trans-141.967.1156-75.2-165.880.400110.4
286T28.3Very low35.5Very low124 Ų124130.4 Ų130.476%0.76171%0.707SS**  trans-82.6128.6147.251.60000107.7
287T29.6Very low36Very low130 Ų130129 Ų12980%0.79870%0.703SS**SBendtrans6599.1161.869.80000116.5
288S29.8Very low36.6Very low107 Ų107129.1 Ų129.175%0.74870%0.704SS**  173.4139.7104.556.10000110.2
289H33Very low37.4Very low182 Ų182128 Ų12884%0.84370%0.698SS**  trans-42.4135.8166-84.8-112.6000112.7
290E29.7Very low38.6Very low194 Ų194125.9 Ų125.991%0.90769%0.687SS**  trans134.1119152.1-77.4174173.300112.3
291A37.2Very low39.6Very low54 Ų54128.7 Ų128.745%0.44669%0.687SS.*  trans140.194.2136.100000114A293 Y294A291-A293 PolarHBondContact O-N 3.36Å; A291-Y294 HydrophobicContact CB-CD2 4.12Å; A291-Y294 HydrophobicContact CB-CE2 4.23Å
292P47Very low40.5Very low131 Ų131129.4 Ų129.485%0.85168%0.683SS**THydrogen-bonded Turntrans-7020.3162.630.1-33.8000114
293A47Very low41.5Very low56 Ų56128.1 Ų128.146%0.46368%0.675SS.*THydrogen-bonded Turntrans-98.5-19.8-173.200000114.5A291A291-A293 PolarHBondContact O-N 3.36Å
294Y45.1Very low42.3Very low186 Ų186126 Ų12673%0.72966%0.664SS**Hα-helixtrans-80.3-23.1-175.5-76.6-78.9000114.2A291A291-Y294 HydrophobicContact CB-CD2 4.12Å; A291-Y294 HydrophobicContact CB-CE2 4.23Å
295C44.6Very low43.5Very low87 Ų87124 Ų12459%0.58865%0.65SS**Hα-helixtrans-70-38.6177.9-149.70000111.5I297 F298 F299C295-I297 PolarHBondContact O-N 3.25Å; C295-F298 PolarHBondContact O-N 3.48Å; C295-F299 WeakPolarHBondContact O-CD2 3.31Å; C295-F299 PolarHBondContact O-N 3.11Å
296L47.5Very low44.5Very low116 Ų116118.1 Ų118.161%0.60763%0.627SS**Hα-helixtrans-63.8-35.9179.4-101.9150.6000113.4I300L296-I300 VanDerWaalsContact O-CG1 3.28Å; L296-I300 WeakPolarHBondContact O-CG1 3Å; L296-I300 PolarHBondContact O-N 3.42Å
297I54.9Low45.6Very low100 Ų100116.1 Ų116.151%0.51361%0.611SS.*Hα-helixtrans-72.7-33.5-177.1-62.9172.6000111.6C295 K301C295-I297 PolarHBondContact O-N 3.25Å; I297-K301 PolarHBondContact O-N 3.27Å
298F49.8Very low46.4Very low153 Ų153114 Ų11467%0.67160%0.602SS**Hα-helixtrans-72.4-36.7177.7-143-92.5000111.9C295 L302C295-F298 PolarHBondContact O-N 3.48Å; F298-L302 HydrophobicContact CD1-CD1 4.29Å; F298-L302 PolarHBondContact O-N 3.09Å
299F50.8Low47.1Very low119 Ų119115.6 Ų115.652%0.52260%0.6SS.*Hα-helixtrans-67.1-39.1175.1-91.1-84.9000113.1C295 K301 L302 F303C295-F299 WeakPolarHBondContact O-CD2 3.31Å; C295-F299 PolarHBondContact O-N 3.11Å; F299-K301 PolarHBondContact O-N 3.36Å; F299-L302 PolarHBondContact O-N 3.17Å; F299-F303 PolarHBondContact O-N 3.35Å
300I54.9Low47.3Very low85 Ų85110.7 Ų110.744%0.43659%0.586SS.*Hα-helixtrans-66-38.3179-67.8167.5000111.3L296 L302 F303 F304L296-I300 VanDerWaalsContact O-CG1 3.28Å; L296-I300 WeakPolarHBondContact O-CG1 3Å; L296-I300 PolarHBondContact O-N 3.42Å; I300-L302 PolarHBondContact O-N 3.4Å; I300-F303 PolarHBondContact O-N 3.01Å; I300-F304 HydrophobicContact CG2-CD2 3.69Å; I300-F304 HydrophobicContact CG2-CE2 3.59Å; I300-F304 VanDerWaalsContact O-CD2 3.3Å; I300-F304 WeakPolarHBondContact O-CD2 3.1Å; I300-F304 PolarHBondContact O-N 2.8Å; I300-F304 VanDerWaalsContact O-N 3.11Å
301K52.3Low47.8Very low157 Ų157106.8 Ų106.868%0.68358%0.575SS**Hα-helixtrans-64.6-36.5176.8-87.3-178.3173.4178.40113.1I297 F299 S305I297-K301 PolarHBondContact O-N 3.27Å; F299-K301 PolarHBondContact O-N 3.36Å; K301-S305 PolarHBondContact O-N 3.08Å
302L51.6Low48Very low102 Ų102114.8 Ų114.853%0.53460%0.595SS.*Hα-helixtrans-72.9-34.4175.9-73.7166.8000112.2F298 F299 I300 S305 S306F298-L302 HydrophobicContact CD1-CD1 4.29Å; F298-L302 PolarHBondContact O-N 3.09Å; F299-L302 PolarHBondContact O-N 3.17Å; I300-L302 PolarHBondContact O-N 3.4Å; L302-S305 PolarHBondContact O-N 2.85Å; L302-S305 PolarHBondContact O-OG 2.75Å; L302-S306 PolarHBondContact O-N 2.64Å; L302-S306 PolarHBondContact O-OG 2.9Å
303F50.5Low47.4Very low127 Ų127114.5 Ų114.556%0.55759%0.587SS**Hα-helixtrans-64-42175.5-156.5-101.6000112.6F299 I300 S306 I307F299-F303 PolarHBondContact O-N 3.35Å; I300-F303 PolarHBondContact O-N 3.01Å; F303-S306 PolarHBondContact O-N 2.02Å; F303-S306 PolarHBondContact O-OG 2.78Å; F303-S306 VanDerWaalsContact O-OG 3.12Å; F303-I307 HydrophobicContact CD1-CD1 3.55Å; F303-I307 HydrophobicContact CE1-CD1 3.55Å; F303-I307 HydrophobicContact CZ-CD1 4.49Å; F303-I307 WeakPolarHBondContact O-CG1 3.43Å; F303-I307 PolarHBondContact O-N 2.82Å
304F51.4Low46.9Very low144 Ų144120 Ų12063%0.63261%0.608SS**Hα-helixtrans-71.8-29.3177.6-81.4-73.3000113.7I300I300-F304 HydrophobicContact CG2-CD2 3.69Å; I300-F304 HydrophobicContact CG2-CE2 3.59Å; I300-F304 VanDerWaalsContact O-CD2 3.3Å; I300-F304 WeakPolarHBondContact O-CD2 3.1Å; I300-F304 PolarHBondContact O-N 2.8Å; I300-F304 VanDerWaalsContact O-N 3.11Å
305S52.1Low46.6Very low66 Ų66114.9 Ų114.946%0.46260%0.6SS.*Hα-helixtrans-71.6-30.3176.577.50000113.2K301 L302K301-S305 PolarHBondContact O-N 3.08Å; L302-S305 PolarHBondContact O-N 2.85Å; L302-S305 PolarHBondContact O-OG 2.75Å
306S48.2Very low46.3Very low61 Ų61121.3 Ų121.343%0.42761%0.612SS.*Hα-helixtrans-85.8-27.6-17841.90000113L302 F303 S308 I309L302-S306 PolarHBondContact O-N 2.64Å; L302-S306 PolarHBondContact O-OG 2.9Å; F303-S306 PolarHBondContact O-N 2.02Å; F303-S306 PolarHBondContact O-OG 2.78Å; F303-S306 VanDerWaalsContact O-OG 3.12Å; S306-S308 VanDerWaalsContact C-N 3.28Å; S306-S308 PolarHBondContact O-N 3.44Å; S306-I309 PolarHBondContact O-N 3.32Å
307I51.2Low45.9Very low82 Ų82120.8 Ų120.842%0.42161%0.613SS.*Hα-helixtrans-65.2-32.2171.7-69.7166.7000111.7F303 I309 C310F303-I307 HydrophobicContact CD1-CD1 3.55Å; F303-I307 HydrophobicContact CE1-CD1 3.55Å; F303-I307 HydrophobicContact CZ-CD1 4.49Å; F303-I307 WeakPolarHBondContact O-CG1 3.43Å; F303-I307 PolarHBondContact O-N 2.82Å; I307-I309 VanDerWaalsContact C-N 3.26Å; I307-I309 PolarHBondContact O-N 3.46Å; I307-C310 PolarHBondContact O-N 2.02Å
308S44.9Very low45.4Very low86 Ų86122.1 Ų122.160%0.60163%0.626SS**THydrogen-bonded Turntrans-68.6-22.3-179.6-136.70000113.7S306 T311S306-S308 VanDerWaalsContact C-N 3.28Å; S306-S308 PolarHBondContact O-N 3.44Å; S308-T311 PolarHBondContact O-OG1 2.87Å
309I44.9Very low45.2Very low139 Ų139118.7 Ų118.771%0.71362%0.621SS**THydrogen-bonded Turntrans-82.1-24.3178.9-62.1169.7000111.3S306 I307S306-I309 PolarHBondContact O-N 3.32Å; I307-I309 VanDerWaalsContact C-N 3.26Å; I307-I309 PolarHBondContact O-N 3.46Å
310C37.4Very low44.7Very low80 Ų80115.7 Ų115.754%0.54162%0.618SS.*THydrogen-bonded Turntrans-84.5-8.9-176.5-69.10000114.5I307I307-C310 PolarHBondContact O-N 2.02Å
311T40Very low44.6Very low111 Ų111116.8 Ų116.868%0.68162%0.623SS**THydrogen-bonded Turntrans-101.60.7-173.452.80000114.9S308S308-T311 PolarHBondContact O-OG1 2.87Å
312Y42Very low44.4Very low222 Ų222112.1 Ų112.187%0.87161%0.61SS**SBendtrans-97.8-6.7-176.6-153.6-97.7000115.4
313D34.5Very low44Very low125 Ų125115.9 Ų115.967%0.66862%0.619SS**  trans-125.896.7179.4-150.9-19.5000111.3S315D313-S315 PolarHBondContact O-N 3.35Å; D313-S315 PolarHBondContact OD1-OG 3.45Å
314N36.9Very low43.8Very low172 Ų172113.2 Ų113.292%0.9262%0.615SS**  trans-80.632.5-174.2-136.8-2.3000112.5
315S37.9Very low43.8Very low78 Ų78111.7 Ų111.755%0.54561%0.613SS.*SBendtrans-142.5110.9179.8740000112.2D313D313-S315 PolarHBondContact O-N 3.35Å; D313-S315 PolarHBondContact OD1-OG 3.45Å
316R37.7Very low43.7Very low223 Ų223115.2 Ų115.284%0.84262%0.62SS**  trans9178.1175.7-53.3-179.5178.9-165.6-0.1116.3V318R316-V318 PolarHBondContact O-N 3.29Å
317T40.1Very low43.7Very low105 Ų105119.5 Ų119.564%0.64463%0.632SS**THydrogen-bonded Turntrans-85.710.2-173.443.40000117.3I321T317-I321 WeakPolarHBondContact O-CD1 3.48Å
318V44Very low43.2Very low128 Ų128122.8 Ų122.878%0.77664%0.64SS**THydrogen-bonded Turntrans-110.3-23.8-177-1740000113.8R316R316-V318 PolarHBondContact O-N 3.29Å
319S44.9Very low43.2Very low81 Ų81123 Ų12357%0.56664%0.637SS**Hα-helixtrans-90.2-26.2-179.151.20000114.6
320A42.1Very low43.2Very low55 Ų55124.1 Ų124.146%0.45564%0.637SS.*Hα-helixtrans-72.8-35.2-178.800000112.8S322 Y323 C324A320-S322 VanDerWaalsContact C-N 3.3Å; A320-S322 PolarHBondContact O-N 3.33Å; A320-Y323 PolarHBondContact O-N 2.9Å; A320-C324 PolarHBondContact O-N 3.38Å
321I50.8Low43.6Very low108 Ų108124.4 Ų124.455%0.55463%0.633SS**Hα-helixtrans-64.9-34.2-179.7-62.3172.6000111.4T317 C324 L325T317-I321 WeakPolarHBondContact O-CD1 3.48Å; I321-C324 PolarHBondContact O-N 3.34Å; I321-L325 HydrophobicContact CG2-CD1 3.91Å; I321-L325 PolarHBondContact O-N 2.91Å; I321-L325 VanDerWaalsContact O-N 3.09Å
322S48.3Very low43.9Very low59 Ų59123.6 Ų123.641%0.41363%0.628SS.*Hα-helixtrans-68.9-35.5178-174.60000113A320 K326A320-S322 VanDerWaalsContact C-N 3.3Å; A320-S322 PolarHBondContact O-N 3.33Å; S322-K326 WeakPolarHBondContact O-CG 3.43Å; S322-K326 PolarHBondContact O-N 3.27Å; S322-K326 VanDerWaalsContact O-N 3.08Å
323Y44.9Very low44.1Very low181 Ų181119 Ų11971%0.7162%0.622SS**Hα-helixtrans-70.6-39.3176.5-92.8-86.1000111.8A320 K326 F327A320-Y323 PolarHBondContact O-N 2.9Å; Y323-K326 PolarHBondContact O-N 3.16Å; Y323-F327 PolarHBondContact O-N 3.35Å; Y323-F327 VanDerWaalsContact O-N 3.11Å
324C45.2Very low44.4Very low72 Ų72117.4 Ų117.449%0.48662%0.621SS.*Hα-helixtrans-64.1-41.7174.7-70.50000112.4A320 I321 F327 Y328A320-C324 PolarHBondContact O-N 3.38Å; I321-C324 PolarHBondContact O-N 3.34Å; C324-F327 PolarHBondContact O-N 3.13Å; C324-Y328 PolarHBondContact O-N 2.83Å
325L51.6Low44.5Very low112 Ų112117.7 Ų117.759%0.58663%0.634SS**Hα-helixtrans-66.2-38.3176.6-85.9155.3000112.8I321 Y328 T329I321-L325 HydrophobicContact CG2-CD1 3.91Å; I321-L325 PolarHBondContact O-N 2.91Å; I321-L325 VanDerWaalsContact O-N 3.09Å; L325-Y328 PolarHBondContact O-N 2.92Å; L325-T329 PolarHBondContact O-N 2.75Å; L325-T329 VanDerWaalsContact O-N 3.16Å; L325-T329 PolarHBondContact O-OG1 2.7Å
326K49.4Very low44.8Very low139 Ų139119.7 Ų119.760%0.60464%0.639SS**Hα-helixtrans-66.5-35.4176-80.5179.1177.4179.90113S322 Y323 Y328 T329 F330S322-K326 WeakPolarHBondContact O-CG 3.43Å; S322-K326 PolarHBondContact O-N 3.27Å; S322-K326 VanDerWaalsContact O-N 3.08Å; Y323-K326 PolarHBondContact O-N 3.16Å; K326-Y328 VanDerWaalsContact C-N 3.34Å; K326-T329 WeakPolarHBondContact CA-OG1 3.35Å; K326-T329 PolarHBondContact O-OG1 2.88Å; K326-F330 PolarHBondContact O-N 3.39Å
327F48.3Very low45.2Very low152 Ų152114.2 Ų114.267%0.66763%0.628SS**Hα-helixtrans-65.7-38.6174.2-122.6-89.1000111.8Y323 C324 F330 I331Y323-F327 PolarHBondContact O-N 3.35Å; Y323-F327 VanDerWaalsContact O-N 3.11Å; C324-F327 PolarHBondContact O-N 3.13Å; F327-F330 PolarHBondContact O-N 3.21Å; F327-I331 HydrophobicContact CD1-CD1 4.28Å; F327-I331 PolarHBondContact O-N 3.28Å
328Y40.4Very low45.4Very low151 Ų151114.7 Ų114.759%0.59263%0.627SS**Hα-helixtrans-65-42.7177.4-163.2-98.1000112.2C324 L325 K326 F330 I331 V332C324-Y328 PolarHBondContact O-N 2.83Å; L325-Y328 PolarHBondContact O-N 2.92Å; K326-Y328 VanDerWaalsContact C-N 3.34Å; Y328-F330 VanDerWaalsContact C-N 3.29Å; Y328-F330 PolarHBondContact O-N 2.99Å; Y328-I331 PolarHBondContact O-N 2.86Å; Y328-V332 HydrophobicContact CD1-CG2 4.33Å; Y328-V332 HydrophobicContact CE1-CG2 4.1Å; Y328-V332 WeakPolarHBondContact O-CG2 3.42Å; Y328-V332 PolarHBondContact O-N 2.88Å
329T46.3Very low45.5Very low90 Ų90113.9 Ų113.955%0.55262%0.618SS**Hα-helixtrans-65.9-27176.941.10000114.1L325 K326 V333L325-T329 PolarHBondContact O-N 2.75Å; L325-T329 VanDerWaalsContact O-N 3.16Å; L325-T329 PolarHBondContact O-OG1 2.7Å; K326-T329 WeakPolarHBondContact CA-OG1 3.35Å; K326-T329 PolarHBondContact O-OG1 2.88Å; T329-V333 WeakPolarHBondContact O-CG2 3.34Å
330F44.9Very low45.6Very low162 Ų162116 Ų11671%0.71162%0.621SS**Hα-helixtrans-75.8-31.7180-149.4-92.7000112.3K326 F327 Y328 S334K326-F330 PolarHBondContact O-N 3.39Å; F327-F330 PolarHBondContact O-N 3.21Å; Y328-F330 VanDerWaalsContact C-N 3.29Å; Y328-F330 PolarHBondContact O-N 2.99Å; F330-S334 PolarHBondContact O-OG 3.13Å
331I44.5Very low45.8Very low87 Ų87120.1 Ų120.145%0.44663%0.633SS.*Hα-helixtrans-79.7-35.2-177.9-63.9171.4000111.4F327 Y328 V333 S334F327-I331 HydrophobicContact CD1-CD1 4.28Å; F327-I331 PolarHBondContact O-N 3.28Å; Y328-I331 PolarHBondContact O-N 2.86Å; I331-V333 PolarHBondContact O-N 2.99Å; I331-S334 PolarHBondContact O-N 3.35Å
332V47.6Very low45.4Very low94 Ų94120.9 Ų120.957%0.5764%0.638SS**Hα-helixtrans-67.3-21.5178.4175.50000113.1Y328 S334Y328-V332 HydrophobicContact CD1-CG2 4.33Å; Y328-V332 HydrophobicContact CE1-CG2 4.1Å; Y328-V332 WeakPolarHBondContact O-CG2 3.42Å; Y328-V332 PolarHBondContact O-N 2.88Å; V332-S334 VanDerWaalsContact C-N 3.34Å
333V46.7Very low45.2Very low124 Ų124125.7 Ų125.775%0.75266%0.656SS**THydrogen-bonded Turntrans-86.3-6.3178.9178.80000112.5T329 I331T329-V333 WeakPolarHBondContact O-CG2 3.34Å; I331-V333 PolarHBondContact O-N 2.99Å
334S39.8Very low45.3Very low92 Ų92121.1 Ų121.164%0.64365%0.651SS**THydrogen-bonded Turntrans-111.223.4-175.4-54.30000113.8F330 I331 V332F330-S334 PolarHBondContact O-OG 3.13Å; I331-S334 PolarHBondContact O-N 3.35Å; V332-S334 VanDerWaalsContact C-N 3.34Å
335C38.3Very low45.3Very low178 Ų178125.5 Ų125.5100%1.20367%0.666SS**  trans-121.80169.5-85.80000110.9

Retrieved 335 of 335 residues in 108.3 ms (Link to these results)