A0A077Z8G6_TRITR Loading...

Toll interacting protein

AlphaFold DB , UniProt , Accession A0A077Z8G6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 267 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
1M43.4Very low66.3Low247 Ų247126.1 Ų126.1100%1.21766%0.658SS**  0107.10-71.6178-170.400108.2Q3M1-Q3 PolarHBondContact O-N 3.24Å
2S51.4Low66.6Low126 Ų126123 Ų12388%0.88165%0.648SS**  trans-83.9106.8179.8-171.30000109N4S2-N4 PolarHBondContact O-N 3.4Å
3Q59.3Low66.6Low85 Ų85123.9 Ų123.940%0.39766%0.661SS.*  trans-64.9121.4170.7-83.4179.418.600109M1M1-Q3 PolarHBondContact O-N 3.24Å
4N76.2Confident66.9Low117 Ų117124.9 Ų124.963%0.62667%0.673SS**  trans-66.9143.4-176.4-160.4-15.8000109.9S2 A6 E7 R8S2-N4 PolarHBondContact O-N 3.4Å; N4-A6 PolarHBondContact O-N 3.35Å; N4-E7 WeakPolarHBondContact O-CB 3.35Å; N4-E7 PolarHBondContact O-N 2.75Å; N4-R8 PolarHBondContact O-N 3.25Å
5A71.9Confident67.6Low60 Ų60120.8 Ų120.850%0.49667%0.672SS.*Hα-helixtrans-58.2-24.6-175.700000113.2K9A5-K9 WeakPolarHBondContact O-CG 3.1Å; A5-K9 PolarHBondContact O-N 3.17Å
6A73.4Confident68.2Low66 Ų66125.1 Ų125.155%0.54569%0.685SS.*Hα-helixtrans-65.6-39.2173.500000113.2N4 K9 S10N4-A6 PolarHBondContact O-N 3.35Å; A6-K9 PolarHBondContact O-N 2.94Å; A6-S10 PolarHBondContact O-N 3.2Å
7E76.2Confident68.8Low98 Ų98124.2 Ų124.246%0.45868%0.679SS.*Hα-helixtrans-69-34.3177.8-114.9-176.315300112.1N4 S10 R11N4-E7 WeakPolarHBondContact O-CB 3.35Å; N4-E7 PolarHBondContact O-N 2.75Å; E7-S10 PolarHBondContact O-OG 3.45Å; E7-R11 PolarHBondContact O-N 3.31Å
8R67.9Low69.4Low162 Ų162124.1 Ų124.161%0.61167%0.673SS**Hα-helixtrans-66.2-39.5172.7-76.4-178165.2130.6-8.3111.5N4 R11N4-R8 PolarHBondContact O-N 3.25Å; R8-R11 PolarHBondContact O-N 2.97Å
9K68.5Low69.9Low161 Ų161125.1 Ų125.170%0.768%0.677SS**Hα-helixtrans-68.3-33.7177.8-73.6179.4178.7-175.20112.7A5 A6 R11 V12A5-K9 WeakPolarHBondContact O-CG 3.1Å; A5-K9 PolarHBondContact O-N 3.17Å; A6-K9 PolarHBondContact O-N 2.94Å; K9-R11 PolarHBondContact O-N 3.31Å; K9-V12 WeakPolarHBondContact O-CB 3.48Å; K9-V12 PolarHBondContact O-N 3.44Å
10S73.8Confident70.3Confident94 Ų94123.5 Ų123.566%0.65767%0.668SS**Hα-helixtrans-72.6-13.8176.566.60000114A6 E7A6-S10 PolarHBondContact O-N 3.2Å; E7-S10 PolarHBondContact O-OG 3.45Å
11R67.5Low70.5Confident171 Ų171122.6 Ų122.665%0.64566%0.659SS**THydrogen-bonded Turntrans-89.4-3.5172.1-69.2-177.3-175.8-165.30.4113.5E7 R8 K9 V13E7-R11 PolarHBondContact O-N 3.31Å; R8-R11 PolarHBondContact O-N 2.97Å; K9-R11 PolarHBondContact O-N 3.31Å; R11-V13 PolarHBondContact O-N 3.46Å
12V69.4Low72Confident89 Ų89118.4 Ų118.454%0.53964%0.64SS.*SBendtrans-72.5113.1173.1-179.10000107.2K9 V14K9-V12 WeakPolarHBondContact O-CB 3.48Å; K9-V12 PolarHBondContact O-N 3.44Å; V12-V14 VanDerWaalsContact C-N 3.34Å; V12-V14 HydrophobicContact CG1-CG2 4.4Å; V12-V14 WeakPolarHBondContact O-CG2 3.29Å; V12-V14 PolarHBondContact O-N 3.22Å
13V67.2Low73.4Confident135 Ų135121.4 Ų121.482%0.81863%0.632SS**  trans-70.495.5171.7178.90000107.2R11R11-V13 PolarHBondContact O-N 3.46Å
14V71Confident73.9Confident138 Ų138124.9 Ų124.984%0.83665%0.653SS**  trans-91108.4169.7-130.50000106.7V12V12-V14 VanDerWaalsContact C-N 3.34Å; V12-V14 HydrophobicContact CG1-CG2 4.4Å; V12-V14 WeakPolarHBondContact O-CG2 3.29Å; V12-V14 PolarHBondContact O-N 3.22Å
15G77.6Confident73.4Confident63 Ų63124.5 Ų124.565%0.64966%0.657SS**SBendtrans173.5-178.6-174.500000111.5L17G15-L17 PolarHBondContact O-N 2.9Å
16Q77.2Confident72.7Confident190 Ų190129.6 Ų129.689%0.88868%0.676SS**SBendtrans-64.8128.6172-160.2164.67.200108.7Q18Q16-Q18 PolarHBondContact O-N 3.33Å
17L78.5Confident71.8Confident110 Ų110131.9 Ų131.958%0.57668%0.683SS**PPolyproline II helixtrans-60.3135.2178.8-164.369.4000109.1G15 F21G15-L17 PolarHBondContact O-N 2.9Å; L17-F21 HydrophobicContact CD1-CB 3.92Å; L17-F21 HydrophobicContact CD1-CD1 3.61Å; L17-F21 HydrophobicContact CD1-CD2 3.65Å; L17-F21 HydrophobicContact CD1-CE1 3.92Å; L17-F21 HydrophobicContact CD1-CE2 3.97Å; L17-F21 HydrophobicContact CD1-CG 3.45Å; L17-F21 VanDerWaalsContact CD1-CG 3.45Å; L17-F21 HydrophobicContact CD1-CZ 4.08Å; L17-F21 HydrophobicContact CD2-CB 3.77Å; L17-F21 HydrophobicContact CD2-CD1 3.57Å; L17-F21 HydrophobicContact CD2-CE1 4.35Å; L17-F21 HydrophobicContact CD2-CG 3.85Å; L17-F21 HydrophobicContact CG-CB 3.52Å; L17-F21 HydrophobicContact CG-CD1 3.86Å; L17-F21 HydrophobicContact CG-CD2 4.25Å; L17-F21 HydrophobicContact CG-CG 3.63Å
18Q79.6Confident70.4Confident121 Ų121133.9 Ų133.957%0.56570%0.697SS**PPolyproline II helixtrans-57.7140.7174.759.1-177.63600110.5Q16 D20 F21Q16-Q18 PolarHBondContact O-N 3.33Å; Q18-D20 VanDerWaalsContact CB-OD1 3.29Å; Q18-D20 WeakPolarHBondContact CB-OD1 3.3Å; Q18-D20 VanDerWaalsContact CD-OD1 3.23Å; Q18-D20 WeakPolarHBondContact CG-OD1 3.47Å; Q18-D20 PolarHBondContact NE2-OD1 3.21Å; Q18-D20 PolarHBondContact O-N 2.98Å; Q18-F21 HydrophobicContact CG-CB 3.8Å; Q18-F21 HydrophobicContact CG-CD2 4.21Å; Q18-F21 VanDerWaalsContact O-CB 3.3Å; Q18-F21 WeakPolarHBondContact O-CB 3.44Å; Q18-F21 PolarHBondContact O-N 2.85Å
19D78.3Confident69Low143 Ų143134.1 Ų134.177%0.76571%0.71SS**THydrogen-bonded Turntrans-61.2-20.9-171.7-68.5-35.3000113.6R23D19-R23 PolarHBondContact O-NE 2.94Å; D19-R23 PolarHBondContact O-NH2 3.5Å
20D78.5Confident67.9Low93 Ų93132 Ų13250%0.49772%0.716SS.*THydrogen-bonded Turntrans-99.87.2179.966.6-20.8000113.9Q18 L22 R23Q18-D20 VanDerWaalsContact CB-OD1 3.29Å; Q18-D20 WeakPolarHBondContact CB-OD1 3.3Å; Q18-D20 VanDerWaalsContact CD-OD1 3.23Å; Q18-D20 WeakPolarHBondContact CG-OD1 3.47Å; Q18-D20 PolarHBondContact NE2-OD1 3.21Å; Q18-D20 PolarHBondContact O-N 2.98Å; D20-L22 PolarHBondContact O-N 3.05Å; D20-R23 WeakPolarHBondContact O-CB 3.28Å; D20-R23 PolarHBondContact O-N 3.45Å
21F73.7Confident66.4Low105 Ų105131.8 Ų131.846%0.46171%0.714SS.*THydrogen-bonded Turntrans-61.2124.2178-167.3-97.7000110.7L17 Q18 R23L17-F21 HydrophobicContact CD1-CB 3.92Å; L17-F21 HydrophobicContact CD1-CD1 3.61Å; L17-F21 HydrophobicContact CD1-CD2 3.65Å; L17-F21 HydrophobicContact CD1-CE1 3.92Å; L17-F21 HydrophobicContact CD1-CE2 3.97Å; L17-F21 HydrophobicContact CD1-CG 3.45Å; L17-F21 VanDerWaalsContact CD1-CG 3.45Å; L17-F21 HydrophobicContact CD1-CZ 4.08Å; L17-F21 HydrophobicContact CD2-CB 3.77Å; L17-F21 HydrophobicContact CD2-CD1 3.57Å; L17-F21 HydrophobicContact CD2-CE1 4.35Å; L17-F21 HydrophobicContact CD2-CG 3.85Å; L17-F21 HydrophobicContact CG-CB 3.52Å; L17-F21 HydrophobicContact CG-CD1 3.86Å; L17-F21 HydrophobicContact CG-CD2 4.25Å; L17-F21 HydrophobicContact CG-CG 3.63Å; Q18-F21 HydrophobicContact CG-CB 3.8Å; Q18-F21 HydrophobicContact CG-CD2 4.21Å; Q18-F21 VanDerWaalsContact O-CB 3.3Å; Q18-F21 WeakPolarHBondContact O-CB 3.44Å; Q18-F21 PolarHBondContact O-N 2.85Å; F21-R23 PolarHBondContact O-N 3.16Å
22L75.7Confident65Low160 Ų160131.3 Ų131.384%0.83872%0.724SS**THydrogen-bonded Turntrans64.68.3-172-56.9172.3000115.9D20D20-L22 PolarHBondContact O-N 3.05Å
23R79.3Confident63.7Low189 Ų189133.6 Ų133.671%0.71374%0.738SS**PPolyproline II helixtrans-81.4131.4168.7-59.6-167-168.1-147.60.5109.2D19 D20 F21D19-R23 PolarHBondContact O-NE 2.94Å; D19-R23 PolarHBondContact O-NH2 3.5Å; D20-R23 WeakPolarHBondContact O-CB 3.28Å; D20-R23 PolarHBondContact O-N 3.45Å; F21-R23 PolarHBondContact O-N 3.16Å
24L71.2Confident62.5Low158 Ų158131 Ų13183%0.82773%0.731SS**PPolyproline II helixtrans-74141.7168.1-64.5168.3000107.9D26L24-D26 PolarHBondContact O-N 3.25Å
25P66Low60.9Low108 Ų108130 Ų13070%0.70173%0.729SS**PPolyproline II helixtrans-59129.5174.423.8-31.5000109.2V27P25-V27 PolarHBondContact O-N 3.16Å
26D57.1Low59.3Low168 Ų168133.2 Ų133.290%0.89874%0.736SS**  trans-57.4107.6168.5-87.7-39.2000107.5L24 D28L24-D26 PolarHBondContact O-N 3.25Å; D26-D28 PolarHBondContact O-N 3.3Å
27V54.3Low57.5Low114 Ų114127 Ų12769%0.69172%0.723SS**  trans-74.9116.9171.4-179.90000106.3P25 N29P25-V27 PolarHBondContact O-N 3.16Å; V27-N29 PolarHBondContact O-N 2.99Å
28D46.2Very low55.3Low140 Ų140126.8 Ų126.875%0.74974%0.738SS**  trans-41.7126.2176-91.1-39.4000110.9D26 S30D26-D28 PolarHBondContact O-N 3.3Å; D28-S30 PolarHBondContact O-N 2.99Å
29N39Very low53.6Low167 Ų167127.6 Ų127.689%0.89374%0.744SS**THydrogen-bonded Turntrans-73.938-165.5-141.78.7000113.6V27V27-N29 PolarHBondContact O-N 2.99Å
30S44Very low51.6Low117 Ų117128.8 Ų128.882%0.81875%0.751SS**THydrogen-bonded Turntrans-105.4-0.4-177.2-48.60000113.6D28D28-S30 PolarHBondContact O-N 2.99Å
31S43.4Very low50.1Low88 Ų88129.5 Ų129.562%0.61576%0.758SS**SBendtrans-135.1109.6176.346.30000109.1V33S31-V33 PolarHBondContact O-N 3.24Å
32N37.4Very low48.5Very low162 Ų162131.2 Ų131.287%0.86678%0.777SS**  trans-39.9123.1176.4-62.5-64.8000112.4
33V42.2Very low47.4Very low136 Ų136128.2 Ų128.282%0.82477%0.766SS**  151.7112.2119.4172.80000111.1S31S31-V33 PolarHBondContact O-N 3.24Å
34A41.6Very low45.7Very low82 Ų82124 Ų12468%0.67876%0.763SS**  trans71.175.9147.600000119.7
35S38.3Very low44.5Very low115 Ų115126.5 Ų126.580%0.80477%0.77SS**  trans-59.2118.4136.653.70000110.9
36V44.3Very low43.8Very low131 Ų131125.2 Ų125.279%0.79478%0.777SS**  trans-138.781.4155.9-171.60000109.1
37G39.2Very low43.3Very low60 Ų60121.9 Ų121.962%0.61976%0.762SS**SBendtrans-74.6148.7142.700000108.7I39G37-I39 PolarHBondContact O-N 3.32Å
38A32.6Very low42.7Very low106 Ų106125.1 Ų125.188%0.87677%0.77SS**  trans-45.3124.1-173.800000114.4
39I42.5Very low42.4Very low137 Ų137125 Ų12570%0.70377%0.768SS**  trans-126.5110.8166.6-55.6178.1000107.7G37 V41G37-I39 PolarHBondContact O-N 3.32Å; I39-V41 HydrophobicContact CB-CG2 4.46Å; I39-V41 HydrophobicContact CG2-CG2 3.72Å; I39-V41 PolarHBondContact O-N 3.22Å
40N38Very low42.4Very low168 Ų168123.2 Ų123.290%0.89876%0.763SS**  trans-64.7110.7164.4-83.5-13.8000108.4
41V46.2Very low42.1Very low109 Ų109122.3 Ų122.366%0.66176%0.756SS**  trans-110.8111.8171.6-176.70000108.8I39 V43I39-V41 HydrophobicContact CB-CG2 4.46Å; I39-V41 HydrophobicContact CG2-CG2 3.72Å; I39-V41 PolarHBondContact O-N 3.22Å; V41-V43 PolarHBondContact O-N 3.48Å
42T39.5Very low41.7Very low140 Ų140122.9 Ų122.986%0.85977%0.766SS**PPolyproline II helixtrans-71.5118.6167.3-51.50000108.6
43V53.2Low41.6Very low97 Ų97118.6 Ų118.659%0.58875%0.753SS**PPolyproline II helixtrans-95.5129.4179.3-162.80000109.4V41 V47V41-V43 PolarHBondContact O-N 3.48Å; V43-V47 HydrophobicContact CG1-CB 4.4Å
44P44.6Very low41.3Very low102 Ų102116.7 Ų116.766%0.66274%0.743SS**PPolyproline II helixtrans-66.2147.6175.9-15.928.9000112.5G46P44-G46 PolarHBondContact O-N 3.36Å
45E45.2Very low41Very low210 Ų210120.9 Ų120.998%0.98175%0.747SS**THydrogen-bonded Turntrans-53.9126.4175.1-80.6178.9143.400111.6
46G50.8Low41Very low81 Ų81123.8 Ų123.884%0.83575%0.745SS**THydrogen-bonded Turntrans119-6.4171.500000116.1P44P44-G46 PolarHBondContact O-N 3.36Å
47V46.7Very low41.2Very low98 Ų98122.2 Ų122.259%0.59473%0.732SS**  trans-96.2101.4175.4-171.90000109.8V43 L49V43-V47 HydrophobicContact CG1-CB 4.4Å; V47-L49 PolarHBondContact O-N 3.49Å
48Q41.6Very low41.9Very low181 Ų181124.7 Ų124.785%0.84674%0.737SS**  trans-76.390.9171.6-158.1162.431.800108.5V50Q48-V50 PolarHBondContact O-N 3.32Å
49L41.2Very low43.6Very low138 Ų138127.6 Ų127.672%0.72373%0.731SS**  trans-70.899.9174.9-154.585.1000108V47 C51V47-L49 PolarHBondContact O-N 3.49Å; L49-C51 PolarHBondContact O-N 2.93Å
50V38.9Very low45.5Very low129 Ų129124.4 Ų124.478%0.78271%0.714SS**  trans-73.784170.9-175.10000107.5Q48 A52Q48-V50 PolarHBondContact O-N 3.32Å; V50-A52 VanDerWaalsContact C-N 3.33Å; V50-A52 PolarHBondContact O-N 3.04Å; V50-A52 VanDerWaalsContact O-N 3.09Å
51C37.7Very low47.6Very low99 Ų99119.1 Ų119.167%0.66969%0.689SS**  trans-7785.4170.349.20000109.3L49 A53L49-C51 PolarHBondContact O-N 2.93Å; C51-A53 PolarHBondContact O-N 2.79Å
52A33.9Very low49.3Very low99 Ų99119.7 Ų119.782%0.81870%0.695SS**  trans-7573.7158.700000108.5V50V50-A52 VanDerWaalsContact C-N 3.33Å; V50-A52 PolarHBondContact O-N 3.04Å; V50-A52 VanDerWaalsContact O-N 3.09Å
53A36.4Very low51.6Low73 Ų73122.5 Ų122.560%0.60369%0.69SS**  trans-146.9107172.900000110.1C51C51-A53 PolarHBondContact O-N 2.79Å
54P34.5Very low53.3Low95 Ų95119.2 Ų119.262%0.61767%0.67SS**  trans-103.6141.8142.234.2-23.7000108.1
55F36.6Very low55.6Low170 Ų170120.5 Ų120.575%0.74666%0.662SS**  trans85.844.8168.4-34.2-66.9000118.9N57F55-N57 VanDerWaalsContact C-N 3.29Å; F55-N57 PolarHBondContact O-N 3.27Å
56F38.5Very low57.9Low176 Ų176110.5 Ų110.577%0.77262%0.615SS**  -67.8104.9127.8-97.2-89.2000104.9P58 I193F56-P58 WeakPolarHBondContact O-CD 3.5Å; F56-I193 HydrophobicContact CE2-CD1 4.37Å; F56-I193 HydrophobicContact CZ-CD1 4.1Å
57N47Very low60Low99 Ų99112.1 Ų112.153%0.52960%0.596SS.*  trans-86.2100.4169.3-147.311.4000105.4F55 F59F55-N57 VanDerWaalsContact C-N 3.29Å; F55-N57 PolarHBondContact O-N 3.27Å; N57-F59 PolarHBondContact O-N 2.76Å
58P54.9Low62.4Low111 Ų111107.5 Ų107.572%0.72157%0.568SS**THydrogen-bonded Turntrans-71.412.5-169.428.3-28.5000113.2F56F56-P58 WeakPolarHBondContact O-CD 3.5Å
59F68.7Low65Low168 Ų16899.6 Ų99.674%0.73753%0.532SS*.THydrogen-bonded Turntrans-130.522.4-169.5-88.9-84.3000113.4N57 P61N57-F59 PolarHBondContact O-N 2.76Å; F59-P61 WeakPolarHBondContact O-CD 3.5Å
60L80.9Confident67.8Low69 Ų6993 Ų9336%0.36150%0.497SS..  trans-77.7113.9165.1-175.668000109T64 Y120 I188L60-T64 HydrophobicContact CD1-CG2 4.13Å; L60-Y120 HydrophobicContact CD1-CD1 3.74Å; L60-Y120 HydrophobicContact CD1-CE1 3.58Å; L60-Y120 HydrophobicContact CD1-CG 4.3Å; L60-I188 HydrophobicContact CD1-CD1 3.78Å; L60-I188 HydrophobicContact CD1-CG1 4.36Å; L60-I188 HydrophobicContact CD1-CG2 4.21Å; L60-I188 HydrophobicContact CD2-CG2 3.81Å
61P82.6Confident70.6Confident57 Ų5788 Ų8837%0.3747%0.467SS..  trans-60.6143.8178.1-22.235.2000110.8F59 T64 Y120F59-P61 WeakPolarHBondContact O-CD 3.5Å; P61-T64 PolarHBondContact O-N 2.78Å; P61-T64 PolarHBondContact O-OG1 3.38Å; P61-Y120 HydrophobicContact CG-CD2 4.08Å; P61-Y120 HydrophobicContact CG-CG 4.42Å
62P81.9Confident73.5Confident122 Ų12283.3 Ų83.379%0.79244%0.435SS*.THydrogen-bonded Turntrans-54.7146.9173-24.333.5000111.3T64P62-T64 VanDerWaalsContact C-N 3.3Å; P62-T64 PolarHBondContact O-N 2.63Å
63R87.5Confident76.6Confident198 Ų19878.8 Ų78.875%0.74740%0.398SS*.THydrogen-bonded Turntrans56.739.2179.8-52.9-174.4-177.1153.50.9113.6P122 E123R63-P122 CarbonylContact O-C 3.46Å; R63-E123 HydrophobicContact CB-CB 3.93Å; R63-E123 WeakPolarHBondContact O-CB 3.46Å; R63-E123 PolarHBondContact O-N 3.08Å
64T90.3Very high79.6Confident28 Ų2878 Ų7817%0.17238%0.382CS..EExtended strand (participates in β ladder)trans-81.5128.6172.5-56.50000110.7L60 P61 P62 G66 Y120 L121 I188L60-T64 HydrophobicContact CD1-CG2 4.13Å; P61-T64 PolarHBondContact O-N 2.78Å; P61-T64 PolarHBondContact O-OG1 3.38Å; P62-T64 VanDerWaalsContact C-N 3.3Å; P62-T64 PolarHBondContact O-N 2.63Å; T64-G66 WeakPolarHBondContact CG2-O 3.42Å; T64-Y120 HydrophobicContact CG2-CD1 3.86Å; T64-Y120 HydrophobicContact CG2-CG 4.09Å; T64-L121 WeakPolarHBondContact CG2-O 3.49Å; T64-I188 HydrophobicContact CG2-CD1 3.23Å
65R90.9Very high82.6Confident129 Ų12973.5 Ų73.549%0.48735%0.353SS..EExtended strand (participates in β ladder)trans-85.1-29-178.6-160.4172.7178.9-169.60.1113.4L121 F156R65-L121 PolarHBondContact N-O 2.8Å; R65-F156 HydrophobicContact CG-CE1 4.49Å; R65-F156 VanDerWaalsContact CZ-CD1 3.46Å; R65-F156 VanDerWaalsContact CZ-CE1 3.42Å; R65-F156 VanDerWaalsContact NH1-CE1 3.29Å
66G93.5Very high85.6Confident0 Ų068.7 Ų68.70%033%0.334CS..EExtended strand (participates in β ladder)trans176.1178.9179.500000111.8T64 L121 D186T64-G66 WeakPolarHBondContact CG2-O 3.42Å; G66-L121 PolarHBondContact O-N 3.46Å; G66-D186 WeakPolarHBondContact CA-O 3.49Å
67R94.9Very high88.4Confident116 Ų11660.8 Ų60.844%0.43830%0.3SS..EExtended strand (participates in β ladder)trans-94.3105.9167.5-177.7179.769.5-174.52.4108.8S119 L185 D186R67-S119 CarbonylContact C-O 3.59Å; R67-S119 WeakPolarHBondContact CA-O 3.4Å; R67-L185 WeakPolarHBondContact O-CA 3.36Å; R67-D186 HydrophobicContact CB-CB 4.32Å; R67-D186 IonicContact CZ-OD2 3.03Å; R67-D186 VanDerWaalsContact CZ-OD2 3.31Å; R67-D186 PolarHBondContact N-O 3.07Å; R67-D186 IonicContact NE-OD2 2.65Å; R67-D186 PolarHBondContact NE-OD2 2.88Å; R67-D186 VanDerWaalsContact NE-OD2 3.08Å; R67-D186 IonicContact NH2-OD2 3.28Å; R67-D186 PolarHBondContact NH2-OD2 3.32Å; R67-D186 PolarHBondContact O-N 3.47Å
68L97.2Very high90.8Very high0 Ų059.5 Ų59.50%030%0.296CS..EExtended strand (participates in β ladder)trans-77.2124.3175.4-178.871.1000109.2V70 V94 S119 L121 V128 L151 I155 F183 L185L68-V70 HydrophobicContact CD1-CG2 4.31Å; L68-V70 HydrophobicContact CD2-CG2 3.73Å; L68-V70 HydrophobicContact CG-CG2 3.69Å; L68-V94 HydrophobicContact CD2-CG1 3.92Å; L68-V94 HydrophobicContact CD2-CG2 4.25Å; L68-S119 PolarHBondContact N-O 3Å; L68-S119 PolarHBondContact O-N 3.45Å; L68-L121 HydrophobicContact CB-CB 4.14Å; L68-L121 HydrophobicContact CD2-CD1 4.45Å; L68-V128 HydrophobicContact CD2-CG1 4.25Å; L68-L151 HydrophobicContact CD1-CD2 4.07Å; L68-L151 HydrophobicContact CD2-CD2 4.07Å; L68-I155 HydrophobicContact CD1-CD1 3.79Å; L68-F183 HydrophobicContact CD1-CD1 4.28Å; L68-L185 HydrophobicContact CB-CD1 4Å; L68-L185 HydrophobicContact CD1-CD1 4.35Å
69N97.8Very high92.6Very high15 Ų1559.1 Ų59.18%0.0828%0.283CS..EExtended strand (participates in β ladder)trans-104.2128.6169.4-49-62.6000107.9T116 I117 H118 F183 S184 D186N69-T116 HydrophobicContact CB-CG2 4.41Å; N69-I117 WeakPolarHBondContact CA-O 3.35Å; N69-H118 PolarHBondContact OD1-ND1 3.31Å; N69-F183 WeakPolarHBondContact O-CA 3.3Å; N69-S184 WeakPolarHBondContact CB-OG 3.22Å; N69-S184 PolarHBondContact N-O 2.91Å; N69-S184 PolarHBondContact ND2-OG 2.78Å; N69-S184 VanDerWaalsContact ND2-OG 3.1Å; N69-S184 PolarHBondContact O-N 3.04Å; N69-D186 PolarHBondContact ND2-OD2 3Å
70V98.3Very high93.7Very high0 Ų053.7 Ų53.70%026%0.262CS..EExtended strand (participates in β ladder)trans-129.7117176.2-168.20000109.4L68 L92 T116 I117 I182 F183L68-V70 HydrophobicContact CD1-CG2 4.31Å; L68-V70 HydrophobicContact CD2-CG2 3.73Å; L68-V70 HydrophobicContact CG-CG2 3.69Å; V70-L92 HydrophobicContact CB-CD2 3.75Å; V70-L92 HydrophobicContact CG1-CD2 3.68Å; V70-L92 HydrophobicContact CG2-CD2 4Å; V70-T116 CarbonylContact O-C 3.14Å; V70-T116 WeakPolarHBondContact O-CA 3.48Å; V70-I117 HydrophobicContact CB-CD1 3.97Å; V70-I117 HydrophobicContact CB-CG1 3.99Å; V70-I117 HydrophobicContact CG2-CD1 3.98Å; V70-I117 PolarHBondContact N-O 3.26Å; V70-I117 PolarHBondContact O-N 3.06Å; V70-I182 CarbonylContact C-O 3.55Å; V70-I182 WeakPolarHBondContact CA-O 3.32Å; V70-F183 HydrophobicContact CB-CD1 4.29Å; V70-F183 HydrophobicContact CB-CE1 4.22Å; V70-F183 HydrophobicContact CG1-CD1 3.89Å; V70-F183 HydrophobicContact CG1-CE1 3.53Å; V70-F183 HydrophobicContact CG1-CZ 3.99Å; V70-F183 HydrophobicContact CG2-CD1 3.67Å; V70-F183 HydrophobicContact CG2-CE1 3.66Å
71T98.7Very high94Very high25 Ų2551.6 Ų51.615%0.15325%0.249CC..EExtended strand (participates in β ladder)trans-93.7119.3170.4-50.80000109.5A73 R115 T116 L181 I182T71-A73 PolarHBondContact O-N 3.32Å; T71-R115 WeakPolarHBondContact CA-O 3.43Å; T71-T116 PolarHBondContact OG1-OG1 3.5Å; T71-L181 WeakPolarHBondContact O-CA 3.18Å; T71-I182 HydrophobicContact CG2-CD1 4.25Å; T71-I182 PolarHBondContact N-O 2.81Å; T71-I182 PolarHBondContact O-N 2.85Å
72M98.6Very high94Very high0 Ų051.8 Ų51.80%026%0.261CS..EExtended strand (participates in β ladder)trans-88.597.2166-67.2161.1-7500107.3C90 L92 T101 N114 R115 I117 L130 L181M72-C90 HydrophobicContact CG-CB 4.45Å; M72-C90 HydrophobicContact SD-CB 3.62Å; M72-L92 HydrophobicContact CE-CB 4.4Å; M72-L92 HydrophobicContact SD-CB 3.83Å; M72-L92 HydrophobicContact SD-CD2 4.45Å; M72-T101 HydrophobicContact CB-CG2 3.98Å; M72-T101 HydrophobicContact CE-CG2 3.48Å; M72-T101 VanDerWaalsContact CE-CG2 3.48Å; M72-T101 HydrophobicContact CG-CG2 4.45Å; M72-T101 HydrophobicContact SD-CG2 3.62Å; M72-N114 PolarHBondContact O-N 2.97Å; M72-N114 VanDerWaalsContact O-N 3.11Å; M72-R115 PolarHBondContact N-O 3.35Å; M72-R115 PolarHBondContact O-N 3.2Å; M72-R115 VanDerWaalsContact O-N 3.11Å; M72-I117 HydrophobicContact CE-CG1 4.29Å; M72-I117 HydrophobicContact CE-CG2 3.52Å; M72-L130 HydrophobicContact CG-CD1 4.21Å; M72-L181 HydrophobicContact CB-CD2 4.22Å; M72-L181 HydrophobicContact CG-CD2 3.76Å
73A98.6Very high94.1Very high4 Ų456.6 Ų56.63%0.03327%0.27CS..EExtended strand (participates in β ladder)trans-81.9-68.5-170.800000111.3T71 W113 N114 N180T71-A73 PolarHBondContact O-N 3.32Å; A73-W113 PolarHBondContact O-N 3.21Å; A73-N114 PolarHBondContact O-N 3.29Å; A73-N114 VanDerWaalsContact O-N 3.07Å; A73-N180 HydrophobicContact CB-CB 4.36Å; A73-N180 WeakPolarHBondContact CB-OD1 3.29Å; A73-N180 PolarHBondContact N-O 2.9Å
74Q98.7Very high94.2Very high57 Ų5752.7 Ų52.727%0.26627%0.268SS..EExtended strand (participates in β ladder)trans-155.4168.1-17357.2179.8-40.800111.3P111 H112 W164 N180Q74-P111 CarbonylContact C-O 3.59Å; Q74-P111 WeakPolarHBondContact CA-O 3.35Å; Q74-P111 VanDerWaalsContact CB-O 3.31Å; Q74-P111 WeakPolarHBondContact CB-O 3.44Å; Q74-H112 PolarHBondContact OE1-NE2 3.35Å; Q74-W164 HydrophobicContact CG-CH2 3.71Å; Q74-W164 HydrophobicContact CG-CZ2 4.11Å; Q74-N180 HydrophobicContact CG-CB 3.88Å; Q74-N180 PolarHBondContact O-N 3.33Å
75A98.7Very high94.3Very high0 Ų058 Ų580%029%0.285CS..EExtended strand (participates in β ladder)trans-135.6157.6171.100000112.2L77 T110 P111 W113 I132 M178 V179A75-L77 HydrophobicContact CB-CD2 4.44Å; A75-T110 VanDerWaalsContact O-CA 3.29Å; A75-T110 WeakPolarHBondContact O-CA 3.49Å; A75-P111 HydrophobicContact CB-CG 3.99Å; A75-P111 PolarHBondContact N-O 2.96Å; A75-P111 WeakPolarHBondContact O-CD 3.42Å; A75-W113 HydrophobicContact CB-CH2 3.87Å; A75-W113 HydrophobicContact CB-CZ3 3.95Å; A75-I132 HydrophobicContact CB-CD1 4.11Å; A75-M178 CarbonylContact C-O 3.49Å; A75-M178 WeakPolarHBondContact CA-O 3.32Å; A75-V179 HydrophobicContact CB-CB 4.39Å; A75-V179 HydrophobicContact CB-CG2 4.4Å
76N98.4Very high94.6Very high68 Ų6851.9 Ų51.936%0.36426%0.262SS..EExtended strand (participates in β ladder)trans-122.996.5170.1-79.5-36.4000108.5K109 T110 W164 G177 M178N76-K109 CarbonylContact C-O 3.6Å; N76-T110 WeakPolarHBondContact OD1-CG2 3.46Å; N76-W164 HydrophobicContact CB-CZ3 4.27Å; N76-W164 WeakPolarHBondContact ND2-CH2 3.47Å; N76-G177 CarbonylContact O-C 3.56Å; N76-G177 WeakPolarHBondContact O-CA 3.49Å; N76-M178 PolarHBondContact N-O 3.37Å; N76-M178 PolarHBondContact O-N 2.87Å
77L98.2Very high94.7Very high11 Ų1154.2 Ų54.26%0.05828%0.275CS..EExtended strand (participates in β ladder)trans-88.4149.5180-54.3175.1000111.4A75 M86 K109 I132 I144 A145 L167 E176A75-L77 HydrophobicContact CB-CD2 4.44Å; L77-M86 HydrophobicContact CD1-CE 3.6Å; L77-K109 HydrophobicContact CB-CB 4.46Å; L77-K109 PolarHBondContact N-O 3.39Å; L77-K109 WeakPolarHBondContact O-CB 3.25Å; L77-I132 HydrophobicContact CD2-CD1 4.21Å; L77-I144 HydrophobicContact CD1-CD1 3.67Å; L77-A145 HydrophobicContact CD2-CB 4.19Å; L77-L167 HydrophobicContact CD2-CD1 3.63Å; L77-E176 WeakPolarHBondContact CA-O 3.31Å
78T96.7Very high94.9Very high71 Ų7148.7 Ų48.744%0.43625%0.254SS..SBendtrans-78.9-26.2-178.359.50000113.2K175 E176T78-K175 WeakPolarHBondContact CG2-O 3.49Å; T78-K175 PolarHBondContact OG1-O 3.14Å; T78-E176 PolarHBondContact N-O 2.97Å; T78-E176 PolarHBondContact OG1-O 3.41Å
79K93.5Very high95Very high104 Ų10449.1 Ų49.145%0.45226%0.256SS..  trans-146.3150.8-169.7-170.7171.6179.4-178.20112.7M86K79-M86 WeakPolarHBondContact O-CE 3.48Å
80N91.2Very high95Very high54 Ų5448.4 Ų48.429%0.28925%0.252SS..  trans-91.1136.5162.9-68.2-61.2000109.6M86 G108 K109N80-M86 HydrophobicContact CB-CG 4.4Å; N80-G108 WeakPolarHBondContact OD1-CA 3.23Å; N80-K109 PolarHBondContact OD1-N 2.83Å
81Y87.2Confident95Very high24 Ų2451.3 Ų51.39%0.09426%0.263CS..  trans-94.9119.8173.6-67.9-81.2000109.1M86 I144 N170 E176Y81-M86 HydrophobicContact CD2-SD 3.66Å; Y81-M86 HydrophobicContact CG-SD 4.26Å; Y81-M86 PolarHBondContact N-SD 2.94Å; Y81-I144 HydrophobicContact CD2-CB 3.68Å; Y81-I144 HydrophobicContact CD2-CG2 3.45Å; Y81-I144 VanDerWaalsContact CD2-CG2 3.45Å; Y81-I144 HydrophobicContact CE2-CB 3.86Å; Y81-I144 HydrophobicContact CE2-CG2 4.13Å; Y81-I144 HydrophobicContact CG-CG2 4.01Å; Y81-N170 HydrophobicContact CE1-CB 4.09Å; Y81-E176 VanDerWaalsContact CE2-OE1 3.32Å; Y81-E176 WeakPolarHBondContact CE2-OE1 3.41Å; Y81-E176 VanDerWaalsContact CZ-OE1 3.3Å; Y81-E176 PolarHBondContact OH-OE1 3.41Å; Y81-E176 PolarHBondContact OH-OE2 2.87Å; Y81-E176 VanDerWaalsContact OH-OE2 3.12Å
82G83.9Confident95Very high61 Ų6150.1 Ų50.163%0.62926%0.255SS*.SBendtrans102.8-170-178.600000114.9
83F83.9Confident95Very high223 Ų22355.6 Ų55.698%0.97828%0.276SS*.SBendtrans-93-19.9-178.6-63.8-76.4000113.6
84V88.4Confident94.9Very high116 Ų11655.5 Ų55.570%0.70328%0.275SS*.SBendtrans-104.7167.4177.3-65.80000110
85R93.9Very high94.6Very high139 Ų13954 Ų5453%0.52528%0.275SS..  trans-64.5142.7168.1-63-174.277.8-179.8-0.7108.1S106 G107R85-S106 PolarHBondContact NE-O 3.44Å; R85-S106 PolarHBondContact NH2-O 3.19Å; R85-G107 PolarHBondContact NH2-O 2.64Å
86M95.8Very high94.2Very high1 Ų159 Ų591%0.00532%0.317CS..  trans-70.9154.3176.8-60.9179.6-54.300110.7L77 K79 N80 Y81 P88 S106 G107 G108 D134 I144L77-M86 HydrophobicContact CD1-CE 3.6Å; K79-M86 WeakPolarHBondContact O-CE 3.48Å; N80-M86 HydrophobicContact CB-CG 4.4Å; Y81-M86 HydrophobicContact CD2-SD 3.66Å; Y81-M86 HydrophobicContact CG-SD 4.26Å; Y81-M86 PolarHBondContact N-SD 2.94Å; M86-P88 WeakPolarHBondContact O-CD 3.2Å; M86-S106 CarbonylContact O-C 3.56Å; M86-S106 WeakPolarHBondContact O-CA 3.41Å; M86-G107 PolarHBondContact O-N 3.19Å; M86-G108 WeakPolarHBondContact CE-O 3.49Å; M86-G108 PolarHBondContact O-N 2.93Å; M86-D134 WeakPolarHBondContact CA-OD1 3.39Å; M86-D134 HydrophobicContact CB-CB 4.37Å; M86-D134 VanDerWaalsContact CB-OD1 3.22Å; M86-D134 WeakPolarHBondContact CB-OD1 3.47Å; M86-D134 HydrophobicContact CG-CB 4.44Å; M86-I144 HydrophobicContact CE-CD1 3.79Å; M86-I144 HydrophobicContact SD-CD1 3.68Å; M86-I144 HydrophobicContact SD-CG2 4.09Å
87D97.2Very high94Very high50 Ų5059.3 Ų59.327%0.26732%0.32SS..  trans-112.677.7173.9-61.1-30.6000108.5T103 S106 D134 E135D87-T103 VanDerWaalsContact C-CG2 3.48Å; D87-T103 HydrophobicContact CB-CG2 3.72Å; D87-T103 WeakPolarHBondContact O-CG2 3.26Å; D87-S106 WeakPolarHBondContact OD1-CA 3.34Å; D87-S106 PolarHBondContact OD1-N 3.02Å; D87-D134 PolarHBondContact N-OD1 3.44Å; D87-E135 HydrophobicContact CB-CB 4.27Å; D87-E135 WeakPolarHBondContact O-CB 3.43Å; D87-E135 PolarHBondContact O-N 2.95Å
88P98.4Very high93.9Very high0 Ų063.2 Ų63.20%034%0.341CS..EExtended strand (participates in β ladder)trans-85146.8-166.233.7-40.2000115M86 D104 P111 W113 I132 F133 I144M86-P88 WeakPolarHBondContact O-CD 3.2Å; P88-D104 VanDerWaalsContact CD-O 3.31Å; P88-D104 WeakPolarHBondContact CD-O 3.46Å; P88-D104 PolarHBondContact O-N 3.25Å; P88-P111 HydrophobicContact CB-CB 4.27Å; P88-P111 HydrophobicContact CB-CG 4.25Å; P88-P111 HydrophobicContact CG-CB 3.24Å; P88-P111 HydrophobicContact CG-CG 3.6Å; P88-W113 HydrophobicContact CB-CZ2 4.14Å; P88-W113 HydrophobicContact CG-CZ2 4.37Å; P88-W113 PolarHBondContact O-NE1 3.16Å; P88-I132 HydrophobicContact CB-CG2 4.06Å; P88-F133 CarbonylContact C-O 3.41Å; P88-F133 WeakPolarHBondContact CA-O 3.43Å; P88-I144 HydrophobicContact CB-CD1 4.19Å
89Y98.7Very high94Very high9 Ų962 Ų624%0.03533%0.33CS..EExtended strand (participates in β ladder)trans-137.5157.616970.7-87.2000111.5R91 I132 F133 E135 D141Y89-R91 HydrophobicContact CD2-CG 4.29Å; Y89-R91 HydrophobicContact CE2-CG 3.77Å; Y89-R91 PolarHBondContact OH-NH1 2.8Å; Y89-R91 PolarHBondContact OH-NH2 2.88Å; Y89-I132 CarbonylContact O-C 3.26Å; Y89-I132 WeakPolarHBondContact O-CA 3.17Å; Y89-F133 HydrophobicContact CD1-CB 3.91Å; Y89-F133 HydrophobicContact CD2-CB 4.44Å; Y89-F133 HydrophobicContact CE1-CB 3.39Å; Y89-F133 HydrophobicContact CE1-CG 4.32Å; Y89-F133 HydrophobicContact CE2-CB 3.97Å; Y89-F133 HydrophobicContact CE2-CD2 4.26Å; Y89-F133 HydrophobicContact CE2-CG 4.28Å; Y89-F133 HydrophobicContact CG-CB 4.41Å; Y89-F133 VanDerWaalsContact CZ-CB 3.43Å; Y89-F133 AromaticContact CZ-CG 3.88Å; Y89-F133 PolarHBondContact N-O 3.1Å; Y89-F133 PolarHBondContact O-N 3.2Å; Y89-E135 HydrophobicContact CD1-CB 4.18Å; Y89-E135 HydrophobicContact CE1-CB 4.18Å; Y89-D141 HydrophobicContact CE1-CB 4.37Å; Y89-D141 WeakPolarHBondContact CE1-OD2 3.44Å; Y89-D141 PolarHBondContact OH-OD2 3.09Å
90C98.7Very high94.2Very high0 Ų061.6 Ų61.60%033%0.33CS..EExtended strand (participates in β ladder)trans-100.9143.8176.9-71.30000111.9M72 E100 T101 W113 E131M72-C90 HydrophobicContact CG-CB 4.45Å; M72-C90 HydrophobicContact SD-CB 3.62Å; C90-E100 CarbonylContact O-C 3.46Å; C90-E100 VanDerWaalsContact O-CA 3.27Å; C90-E100 WeakPolarHBondContact O-CA 3.21Å; C90-T101 HydrophobicContact CB-CG2 3.82Å; C90-T101 PolarHBondContact N-OG1 3.27Å; C90-T101 PolarHBondContact O-N 3.1Å; C90-W113 WeakPolarHBondContact SG-CH2 3.48Å; C90-W113 WeakPolarHBondContact SG-CZ3 3.33Å; C90-E131 CarbonylContact C-O 3.5Å; C90-E131 VanDerWaalsContact CA-O 3.31Å; C90-E131 WeakPolarHBondContact CA-O 3.34Å
91R98.5Very high94.6Very high60 Ų6059.5 Ų59.523%0.22632%0.318CS..EExtended strand (participates in β ladder)trans-113.6125.1161.6-61.6-168.6157.6125.85.6109.4Y89 L98 F99 E100 L130 E131 F133Y89-R91 HydrophobicContact CD2-CG 4.29Å; Y89-R91 HydrophobicContact CE2-CG 3.77Å; Y89-R91 PolarHBondContact OH-NH1 2.8Å; Y89-R91 PolarHBondContact OH-NH2 2.88Å; R91-L98 HydrophobicContact CB-CD1 4.19Å; R91-F99 CarbonylContact C-O 3.55Å; R91-F99 VanDerWaalsContact CA-O 3.29Å; R91-F99 WeakPolarHBondContact CA-O 3.3Å; R91-E100 HydrophobicContact CG-CG 4.08Å; R91-E100 IonicContact CZ-OE1 2.82Å; R91-E100 VanDerWaalsContact CZ-OE1 3.28Å; R91-E100 IonicContact NE-OE1 3.13Å; R91-E100 PolarHBondContact NE-OE1 3.01Å; R91-E100 IonicContact NH2-OE1 3.66Å; R91-E100 PolarHBondContact NH2-OE1 3.36Å; R91-L130 CarbonylContact O-C 3.48Å; R91-L130 WeakPolarHBondContact O-CA 3.4Å; R91-E131 HydrophobicContact CB-CB 4.38Å; R91-E131 PolarHBondContact N-O 2.86Å; R91-E131 PolarHBondContact O-N 3.3Å; R91-F133 HydrophobicContact CB-CE2 4.44Å; R91-F133 HydrophobicContact CG-CD2 3.94Å; R91-F133 HydrophobicContact CG-CE2 3.94Å; R91-F133 VanDerWaalsContact NH1-CZ 3.33Å
92L98.6Very high95.1Very high0 Ų062.5 Ų62.50%034%0.341CS..EExtended strand (participates in β ladder)trans-117.5120.6178.3-174.771.9000110.5V70 M72 V94 F99 I117 V128 L130V70-L92 HydrophobicContact CB-CD2 3.75Å; V70-L92 HydrophobicContact CG1-CD2 3.68Å; V70-L92 HydrophobicContact CG2-CD2 4Å; M72-L92 HydrophobicContact CE-CB 4.4Å; M72-L92 HydrophobicContact SD-CB 3.83Å; M72-L92 HydrophobicContact SD-CD2 4.45Å; L92-V94 HydrophobicContact CD2-CG2 4.24Å; L92-V94 HydrophobicContact CG-CG2 4.32Å; L92-F99 PolarHBondContact N-O 2.92Å; L92-F99 PolarHBondContact O-N 2.88Å; L92-I117 HydrophobicContact CD2-CD1 4.03Å; L92-I117 HydrophobicContact CD2-CG1 3.87Å; L92-V128 HydrophobicContact CD1-CB 3.97Å; L92-V128 HydrophobicContact CD1-CG2 3.9Å; L92-L130 HydrophobicContact CD1-CB 3.95Å; L92-L130 HydrophobicContact CD1-CD1 4.3Å
93R98.2Very high95.8Very high115 Ų11561.3 Ų61.343%0.43432%0.321SS..EExtended strand (participates in β ladder)trans-99.6123173.8-169.5176.469-131.1-2110.8G95 V97 L98 V128 Y129R93-G95 WeakPolarHBondContact CG-O 3.39Å; R93-V97 WeakPolarHBondContact CA-O 3.42Å; R93-L98 HydrophobicContact CB-CD1 3.96Å; R93-V128 WeakPolarHBondContact O-CA 3.39Å; R93-Y129 PolarHBondContact N-O 3.06Å; R93-Y129 PolarHBondContact O-N 2.95Å
94V95.9Very high96.4Very high2 Ų252.3 Ų52.31%0.01228%0.284CS..EExtended strand (participates in β ladder)trans-117.3107172.1-174.30000107.8L68 L92 A96 V97 F99 L121 V128L68-V94 HydrophobicContact CD2-CG1 3.92Å; L68-V94 HydrophobicContact CD2-CG2 4.25Å; L92-V94 HydrophobicContact CD2-CG2 4.24Å; L92-V94 HydrophobicContact CG-CG2 4.32Å; V94-A96 PolarHBondContact O-N 2.73Å; V94-A96 VanDerWaalsContact O-N 3.1Å; V94-V97 PolarHBondContact N-O 2.86Å; V94-V97 PolarHBondContact O-N 2.88Å; V94-F99 HydrophobicContact CB-CE2 4.44Å; V94-F99 HydrophobicContact CG2-CD2 4.46Å; V94-F99 HydrophobicContact CG2-CE2 4.29Å; V94-L121 HydrophobicContact CG1-CD1 4.25Å; V94-V128 HydrophobicContact CG1-CG1 4.47Å; V94-V128 HydrophobicContact CG2-CG1 3.9Å
95G92.1Very high96.8Very high26 Ų2651.4 Ų51.427%0.26828%0.28SS..THydrogen-bonded Turntrans57.3-115.2-17200000112R93R93-G95 WeakPolarHBondContact CG-O 3.39Å
96A91.1Very high96.9Very high106 Ų10647.8 Ų47.888%0.87628%0.276SS*.THydrogen-bonded Turntrans-94.4-7.2178.600000114.3V94V94-A96 PolarHBondContact O-N 2.73Å; V94-A96 VanDerWaalsContact O-N 3.1Å
97V93.9Very high97Very high73 Ų7348 Ų4844%0.44228%0.279SS..EExtended strand (participates in β ladder)trans-98.3137.6-175.2-172.40000109.9R93 V94 F99R93-V97 WeakPolarHBondContact CA-O 3.42Å; V94-V97 PolarHBondContact N-O 2.86Å; V94-V97 PolarHBondContact O-N 2.88Å; V97-F99 HydrophobicContact CB-CE2 4.01Å; V97-F99 HydrophobicContact CB-CZ 4.31Å; V97-F99 HydrophobicContact CG1-CD2 4.23Å; V97-F99 HydrophobicContact CG1-CE1 4.15Å; V97-F99 HydrophobicContact CG1-CE2 3.54Å; V97-F99 HydrophobicContact CG1-CZ 3.5Å; V97-F99 VanDerWaalsContact CG1-CZ 3.5Å
98L97.1Very high97Very high93 Ų9345.7 Ų45.749%0.48727%0.266SS..EExtended strand (participates in β ladder)trans-113133.9176.1-171.170.2000109.5R91 R93R91-L98 HydrophobicContact CB-CD1 4.19Å; R93-L98 HydrophobicContact CB-CD1 3.96Å
99F98.1Very high96.9Very high46 Ų4650.1 Ų50.120%0.20229%0.286CS..EExtended strand (participates in β ladder)trans-120.4153.2174.5-58.2-89.3000110R91 L92 V94 V97 I117R91-F99 CarbonylContact C-O 3.55Å; R91-F99 VanDerWaalsContact CA-O 3.29Å; R91-F99 WeakPolarHBondContact CA-O 3.3Å; L92-F99 PolarHBondContact N-O 2.92Å; L92-F99 PolarHBondContact O-N 2.88Å; V94-F99 HydrophobicContact CB-CE2 4.44Å; V94-F99 HydrophobicContact CG2-CD2 4.46Å; V94-F99 HydrophobicContact CG2-CE2 4.29Å; V97-F99 HydrophobicContact CB-CE2 4.01Å; V97-F99 HydrophobicContact CB-CZ 4.31Å; V97-F99 HydrophobicContact CG1-CD2 4.23Å; V97-F99 HydrophobicContact CG1-CE1 4.15Å; V97-F99 HydrophobicContact CG1-CE2 3.54Å; V97-F99 HydrophobicContact CG1-CZ 3.5Å; V97-F99 VanDerWaalsContact CG1-CZ 3.5Å; F99-I117 HydrophobicContact CB-CB 4.27Å; F99-I117 HydrophobicContact CB-CG1 4.4Å; F99-I117 HydrophobicContact CB-CG2 3.87Å; F99-I117 HydrophobicContact CD1-CB 4.02Å; F99-I117 HydrophobicContact CD1-CG2 4.26Å; F99-I117 HydrophobicContact CD2-CD1 3.96Å; F99-I117 HydrophobicContact CD2-CG1 4.31Å; F99-I117 HydrophobicContact CE2-CD1 4.05Å; F99-I117 HydrophobicContact CG-CB 4.05Å; F99-I117 HydrophobicContact CG-CD1 4.29Å; F99-I117 HydrophobicContact CG-CG1 4.19Å; F99-I117 HydrophobicContact CG-CG2 4.19Å; F99-I117 HydrophobicContact CZ-CD1 4.43Å
100E98Very high96.9Very high96 Ų9652.7 Ų52.745%0.44930%0.303SS..EExtended strand (participates in β ladder)trans-130.5148.9177.1-54-169.6154.300110.9C90 R91C90-E100 CarbonylContact O-C 3.46Å; C90-E100 VanDerWaalsContact O-CA 3.27Å; C90-E100 WeakPolarHBondContact O-CA 3.21Å; R91-E100 HydrophobicContact CG-CG 4.08Å; R91-E100 IonicContact CZ-OE1 2.82Å; R91-E100 VanDerWaalsContact CZ-OE1 3.28Å; R91-E100 IonicContact NE-OE1 3.13Å; R91-E100 PolarHBondContact NE-OE1 3.01Å; R91-E100 IonicContact NH2-OE1 3.66Å; R91-E100 PolarHBondContact NH2-OE1 3.36Å
101T98.6Very high96.9Very high9 Ų952.7 Ų52.76%0.05530%0.303CS..PPolyproline II helixtrans-88.9158.6167.1670000110.1M72 C90 W113 R115M72-T101 HydrophobicContact CB-CG2 3.98Å; M72-T101 HydrophobicContact CE-CG2 3.48Å; M72-T101 VanDerWaalsContact CE-CG2 3.48Å; M72-T101 HydrophobicContact CG-CG2 4.45Å; M72-T101 HydrophobicContact SD-CG2 3.62Å; C90-T101 HydrophobicContact CB-CG2 3.82Å; C90-T101 PolarHBondContact N-OG1 3.27Å; C90-T101 PolarHBondContact O-N 3.1Å; T101-W113 HydrophobicContact CG2-CB 4.14Å; T101-W113 HydrophobicContact CG2-CG 4.24Å; T101-R115 HydrophobicContact CG2-CB 3.83Å; T101-R115 HydrophobicContact CG2-CG 4.13Å
102P98.1Very high96.9Very high87 Ų8754.3 Ų54.357%0.56531%0.312SS*.PPolyproline II helixtrans-54.9153.5157.1-20.333.2000110.5
103T98.2Very high96.9Very high36 Ų3655.6 Ų55.622%0.22132%0.317CS..PPolyproline II helixtrans-69.3141.7169.5-57.10000110.7D87 P105 E135D87-T103 VanDerWaalsContact C-CG2 3.48Å; D87-T103 HydrophobicContact CB-CG2 3.72Å; D87-T103 WeakPolarHBondContact O-CG2 3.26Å; T103-P105 VanDerWaalsContact O-CD 3.29Å; T103-P105 WeakPolarHBondContact O-CD 3.36Å; T103-E135 WeakPolarHBondContact CB-OE2 3.4Å; T103-E135 HydrophobicContact CG2-CB 4.07Å; T103-E135 VanDerWaalsContact CG2-OE2 3.3Å; T103-E135 WeakPolarHBondContact CG2-OE2 3.42Å; T103-E135 PolarHBondContact OG1-OE2 2.82Å
104D98.2Very high96.8Very high34 Ų3455.6 Ų55.618%0.18233%0.326CS..  trans-94.597.9167.2-178.516000109.3P88 S106 G107 P111 H112P88-D104 VanDerWaalsContact CD-O 3.31Å; P88-D104 WeakPolarHBondContact CD-O 3.46Å; P88-D104 PolarHBondContact O-N 3.25Å; D104-S106 PolarHBondContact O-N 2.93Å; D104-G107 PolarHBondContact O-N 2.78Å; D104-G107 VanDerWaalsContact O-N 3.13Å; D104-G107 WeakPolarHBondContact OD2-CA 3.24Å; D104-P111 HydrophobicContact CB-CB 4.13Å; D104-P111 WeakPolarHBondContact OD2-CA 3.21Å; D104-P111 WeakPolarHBondContact OD2-CB 3.21Å; D104-H112 PolarHBondContact OD2-N 3.09Å
105P96.6Very high96.9Very high98 Ų9861.6 Ų61.664%0.63635%0.348SS*.THydrogen-bonded Turntrans-64.9125.4-173-18.533.6000110.7T103 G107T103-P105 VanDerWaalsContact O-CD 3.29Å; T103-P105 WeakPolarHBondContact O-CD 3.36Å; P105-G107 PolarHBondContact O-N 3.37Å
106S95.5Very high97.2Very high62 Ų6262.4 Ų62.443%0.43435%0.348SS..THydrogen-bonded Turntrans58.823.4-177.2-65.50000114.4R85 M86 D87 D104 G108R85-S106 PolarHBondContact NE-O 3.44Å; R85-S106 PolarHBondContact NH2-O 3.19Å; M86-S106 CarbonylContact O-C 3.56Å; M86-S106 WeakPolarHBondContact O-CA 3.41Å; D87-S106 WeakPolarHBondContact OD1-CA 3.34Å; D87-S106 PolarHBondContact OD1-N 3.02Å; D104-S106 PolarHBondContact O-N 2.93Å; S106-G108 PolarHBondContact O-N 3.22Å
107G97Very high97.4Very high7 Ų757.6 Ų57.67%0.07231%0.308CS..  trans-56.7-32.2175.400000112.5R85 M86 D104 P105 K109 T110R85-G107 PolarHBondContact NH2-O 2.64Å; M86-G107 PolarHBondContact O-N 3.19Å; D104-G107 PolarHBondContact O-N 2.78Å; D104-G107 VanDerWaalsContact O-N 3.13Å; D104-G107 WeakPolarHBondContact OD2-CA 3.24Å; P105-G107 PolarHBondContact O-N 3.37Å; G107-K109 PolarHBondContact O-N 3.47Å; G107-T110 PolarHBondContact O-N 3.34Å
108G97Very high97.5Very high0 Ų059.4 Ų59.40%031%0.311CS..THydrogen-bonded Turntrans59.4-122177.200000111.7N80 M86 S106N80-G108 WeakPolarHBondContact OD1-CA 3.23Å; M86-G108 WeakPolarHBondContact CE-O 3.49Å; M86-G108 PolarHBondContact O-N 2.93Å; S106-G108 PolarHBondContact O-N 3.22Å
109K97.8Very high97.3Very high94 Ų9455.3 Ų55.341%0.40929%0.29SS..THydrogen-bonded Turntrans-81.4-15.2-177.6-66.3-168.1-59171.60114.7N76 L77 N80 G107 P111N76-K109 CarbonylContact C-O 3.6Å; L77-K109 HydrophobicContact CB-CB 4.46Å; L77-K109 PolarHBondContact N-O 3.39Å; L77-K109 WeakPolarHBondContact O-CB 3.25Å; N80-K109 PolarHBondContact OD1-N 2.83Å; G107-K109 PolarHBondContact O-N 3.47Å; K109-P111 VanDerWaalsContact C-CD 3.42Å
110T98.1Very high97.1Very high63 Ų6357 Ų5739%0.38730%0.296SS..SBendtrans-130.762.6-172.256.70000110.6A75 N76 G107 H112A75-T110 VanDerWaalsContact O-CA 3.29Å; A75-T110 WeakPolarHBondContact O-CA 3.49Å; N76-T110 WeakPolarHBondContact OD1-CG2 3.46Å; G107-T110 PolarHBondContact O-N 3.34Å; T110-H112 PolarHBondContact O-CE1 3.28Å; T110-H112 PolarHBondContact O-ND1 2.92Å
111P98.4Very high97Very high0 Ų052.4 Ų52.40%028%0.275CS..  trans-77.2153.7-176.433-38.2000114Q74 A75 P88 D104 K109 W113Q74-P111 CarbonylContact C-O 3.59Å; Q74-P111 WeakPolarHBondContact CA-O 3.35Å; Q74-P111 VanDerWaalsContact CB-O 3.31Å; Q74-P111 WeakPolarHBondContact CB-O 3.44Å; A75-P111 HydrophobicContact CB-CG 3.99Å; A75-P111 PolarHBondContact N-O 2.96Å; A75-P111 WeakPolarHBondContact O-CD 3.42Å; P88-P111 HydrophobicContact CB-CB 4.27Å; P88-P111 HydrophobicContact CB-CG 4.25Å; P88-P111 HydrophobicContact CG-CB 3.24Å; P88-P111 HydrophobicContact CG-CG 3.6Å; D104-P111 HydrophobicContact CB-CB 4.13Å; D104-P111 WeakPolarHBondContact OD2-CA 3.21Å; D104-P111 WeakPolarHBondContact OD2-CB 3.21Å; K109-P111 VanDerWaalsContact C-CD 3.42Å; P111-W113 HydrophobicContact CB-CH2 4.09Å; P111-W113 HydrophobicContact CB-CZ2 3.72Å; P111-W113 HydrophobicContact CG-CH2 3.49Å; P111-W113 VanDerWaalsContact CG-CH2 3.49Å; P111-W113 HydrophobicContact CG-CZ2 3.56Å; P111-W113 HydrophobicContact CG-CZ3 4.28Å
112H98.4Very high96.7Very high93 Ų9354.1 Ų54.143%0.43129%0.286SS..EExtended strand (participates in β ladder)trans-131.7126.3179.7-57.376000110.4Q74 D104 T110Q74-H112 PolarHBondContact OE1-NE2 3.35Å; D104-H112 PolarHBondContact OD2-N 3.09Å; T110-H112 PolarHBondContact O-CE1 3.28Å; T110-H112 PolarHBondContact O-ND1 2.92Å
113W98.5Very high96.4Very high28 Ų2856.4 Ų56.411%0.10629%0.289CS..EExtended strand (participates in β ladder)trans-118.7-39179.7-53.9-71.1000112.8A73 A75 P88 C90 T101 P111 R115 I132A73-W113 PolarHBondContact O-N 3.21Å; A75-W113 HydrophobicContact CB-CH2 3.87Å; A75-W113 HydrophobicContact CB-CZ3 3.95Å; P88-W113 HydrophobicContact CB-CZ2 4.14Å; P88-W113 HydrophobicContact CG-CZ2 4.37Å; P88-W113 PolarHBondContact O-NE1 3.16Å; C90-W113 WeakPolarHBondContact SG-CH2 3.48Å; C90-W113 WeakPolarHBondContact SG-CZ3 3.33Å; T101-W113 HydrophobicContact CG2-CB 4.14Å; T101-W113 HydrophobicContact CG2-CG 4.24Å; P111-W113 HydrophobicContact CB-CH2 4.09Å; P111-W113 HydrophobicContact CB-CZ2 3.72Å; P111-W113 HydrophobicContact CG-CH2 3.49Å; P111-W113 VanDerWaalsContact CG-CH2 3.49Å; P111-W113 HydrophobicContact CG-CZ2 3.56Å; P111-W113 HydrophobicContact CG-CZ3 4.28Å; W113-R115 HydrophobicContact CB-CB 4.45Å; W113-R115 PolarHBondContact O-N 3.09Å; W113-R115 VanDerWaalsContact O-N 3.11Å; W113-I132 HydrophobicContact CH2-CD1 4.16Å; W113-I132 HydrophobicContact CH2-CG2 4.21Å; W113-I132 HydrophobicContact CZ2-CG2 4.19Å
114N97.3Very high96.1Very high115 Ų11557.9 Ų57.962%0.61531%0.311SS*.EExtended strand (participates in β ladder)trans46.440.7-175.8-65.3-41.6000113.2M72 A73M72-N114 PolarHBondContact O-N 2.97Å; M72-N114 VanDerWaalsContact O-N 3.11Å; A73-N114 PolarHBondContact O-N 3.29Å; A73-N114 VanDerWaalsContact O-N 3.07Å
115R97.9Very high96Very high127 Ų12758.4 Ų58.448%0.47931%0.314SS..EExtended strand (participates in β ladder)trans-102115.9-176.5179.761.1178.7148.90.6110.5T71 M72 T101 W113 I117T71-R115 WeakPolarHBondContact CA-O 3.43Å; M72-R115 PolarHBondContact N-O 3.35Å; M72-R115 PolarHBondContact O-N 3.2Å; M72-R115 VanDerWaalsContact O-N 3.11Å; T101-R115 HydrophobicContact CG2-CB 3.83Å; T101-R115 HydrophobicContact CG2-CG 4.13Å; W113-R115 HydrophobicContact CB-CB 4.45Å; W113-R115 PolarHBondContact O-N 3.09Å; W113-R115 VanDerWaalsContact O-N 3.11Å; R115-I117 HydrophobicContact CG-CG2 4.43Å
116T97.7Very high96Very high43 Ų4358.5 Ų58.526%0.26431%0.309SS..EExtended strand (participates in β ladder)trans-88128.9169.2-53.60000110.6N69 V70 T71N69-T116 HydrophobicContact CB-CG2 4.41Å; V70-T116 CarbonylContact O-C 3.14Å; V70-T116 WeakPolarHBondContact O-CA 3.48Å; T71-T116 PolarHBondContact OG1-OG1 3.5Å
117I96Very high96.1Very high6 Ų656.7 Ų56.73%0.03130%0.296CS..EExtended strand (participates in β ladder)trans-106.4152.4168.768.781.3000109.4N69 V70 M72 L92 F99 R115N69-I117 WeakPolarHBondContact CA-O 3.35Å; V70-I117 HydrophobicContact CB-CD1 3.97Å; V70-I117 HydrophobicContact CB-CG1 3.99Å; V70-I117 HydrophobicContact CG2-CD1 3.98Å; V70-I117 PolarHBondContact N-O 3.26Å; V70-I117 PolarHBondContact O-N 3.06Å; M72-I117 HydrophobicContact CE-CG1 4.29Å; M72-I117 HydrophobicContact CE-CG2 3.52Å; L92-I117 HydrophobicContact CD2-CD1 4.03Å; L92-I117 HydrophobicContact CD2-CG1 3.87Å; F99-I117 HydrophobicContact CB-CB 4.27Å; F99-I117 HydrophobicContact CB-CG1 4.4Å; F99-I117 HydrophobicContact CB-CG2 3.87Å; F99-I117 HydrophobicContact CD1-CB 4.02Å; F99-I117 HydrophobicContact CD1-CG2 4.26Å; F99-I117 HydrophobicContact CD2-CD1 3.96Å; F99-I117 HydrophobicContact CD2-CG1 4.31Å; F99-I117 HydrophobicContact CE2-CD1 4.05Å; F99-I117 HydrophobicContact CG-CB 4.05Å; F99-I117 HydrophobicContact CG-CD1 4.29Å; F99-I117 HydrophobicContact CG-CG1 4.19Å; F99-I117 HydrophobicContact CG-CG2 4.19Å; F99-I117 HydrophobicContact CZ-CD1 4.43Å; R115-I117 HydrophobicContact CG-CG2 4.43Å
118H94.6Very high96.1Very high110 Ų11056.4 Ų56.451%0.50929%0.293SS..EExtended strand (participates in β ladder)trans-123124.5177.7-54.3-77.1000108.1N69N69-H118 PolarHBondContact OD1-ND1 3.31Å
119S93.6Very high96.2Very high7 Ų758.2 Ų58.25%0.04930%0.3CS..EExtended strand (participates in β ladder)trans-136.4141.8-177.5-169.10000110.8R67 L68 L121R67-S119 CarbonylContact C-O 3.59Å; R67-S119 WeakPolarHBondContact CA-O 3.4Å; L68-S119 PolarHBondContact N-O 3Å; L68-S119 PolarHBondContact O-N 3.45Å; S119-L121 PolarHBondContact O-N 3.16Å
120Y93.8Very high96.3Very high82 Ų8253.8 Ų53.832%0.32228%0.281SS..EExtended strand (participates in β ladder)trans-74.1120.8165.5-72.5-55.6000108.7L60 P61 T64 P122 I188L60-Y120 HydrophobicContact CD1-CD1 3.74Å; L60-Y120 HydrophobicContact CD1-CE1 3.58Å; L60-Y120 HydrophobicContact CD1-CG 4.3Å; P61-Y120 HydrophobicContact CG-CD2 4.08Å; P61-Y120 HydrophobicContact CG-CG 4.42Å; T64-Y120 HydrophobicContact CG2-CD1 3.86Å; T64-Y120 HydrophobicContact CG2-CG 4.09Å; Y120-P122 WeakPolarHBondContact O-CD 3.4Å; Y120-I188 HydrophobicContact CD1-CD1 4.41Å
121L95.4Very high96.3Very high0 Ų052.3 Ų52.30%027%0.27CS..EExtended strand (participates in β ladder)trans-84.3110.2-179.7-179.361.2000109.9T64 R65 G66 L68 V94 S119 I125 L151 F156 L185T64-L121 WeakPolarHBondContact CG2-O 3.49Å; R65-L121 PolarHBondContact N-O 2.8Å; G66-L121 PolarHBondContact O-N 3.46Å; L68-L121 HydrophobicContact CB-CB 4.14Å; L68-L121 HydrophobicContact CD2-CD1 4.45Å; V94-L121 HydrophobicContact CG1-CD1 4.25Å; S119-L121 PolarHBondContact O-N 3.16Å; L121-I125 HydrophobicContact CD1-CB 3.86Å; L121-I125 HydrophobicContact CD1-CG2 3.78Å; L121-L151 HydrophobicContact CD1-CD1 3.77Å; L121-L151 HydrophobicContact CD2-CD1 3.78Å; L121-L151 HydrophobicContact CG-CD1 4.46Å; L121-F156 HydrophobicContact CD2-CE1 3.65Å; L121-F156 HydrophobicContact CD2-CZ 3.99Å; L121-L185 HydrophobicContact CB-CD1 4.14Å; L121-L185 HydrophobicContact CD2-CD1 3.85Å
122P92.5Very high96.3Very high45 Ų4552.3 Ų52.329%0.29227%0.27SS..EExtended strand (participates in β ladder)trans-69.3149.6176.7-14.931.7000111.1R63 Y120 I125R63-P122 CarbonylContact O-C 3.46Å; Y120-P122 WeakPolarHBondContact O-CD 3.4Å; P122-I125 HydrophobicContact CB-CG1 4.06Å; P122-I125 HydrophobicContact CG-CG1 4.13Å; P122-I125 WeakPolarHBondContact O-CB 3.49Å; P122-I125 PolarHBondContact O-N 2.81Å
123E91.3Very high96.3Very high134 Ų13449 Ų4963%0.62625%0.254SS*.THydrogen-bonded Turntrans-58.4140.6170.9-169.2179.3-172.400110.7R63 I125R63-E123 HydrophobicContact CB-CB 3.93Å; R63-E123 WeakPolarHBondContact O-CB 3.46Å; R63-E123 PolarHBondContact O-N 3.08Å; E123-I125 VanDerWaalsContact C-N 3.28Å; E123-I125 PolarHBondContact O-N 2.84Å
124G93.1Very high96.2Very high67 Ų6748 Ų4869%0.69125%0.251SS*.THydrogen-bonded Turntrans83.7-8.6-176.700000115
125I95.3Very high96.2Very high46 Ų4646.9 Ų46.924%0.23624%0.242CC..  trans-86.1118.3169.2-56.2-56.8000109.1L121 P122 E123 S127L121-I125 HydrophobicContact CD1-CB 3.86Å; L121-I125 HydrophobicContact CD1-CG2 3.78Å; P122-I125 HydrophobicContact CB-CG1 4.06Å; P122-I125 HydrophobicContact CG-CG1 4.13Å; P122-I125 WeakPolarHBondContact O-CB 3.49Å; P122-I125 PolarHBondContact O-N 2.81Å; E123-I125 VanDerWaalsContact C-N 3.28Å; E123-I125 PolarHBondContact O-N 2.84Å; I125-S127 WeakPolarHBondContact CG2-O 3.38Å
126D96.3Very high96Very high100 Ų10044.2 Ų44.254%0.53523%0.232SC..  trans-119.62.2-176.565.1-0.7000113.2L151D126-L151 PolarHBondContact O-N 2.81Å
127S97.9Very high95.4Very high24 Ų2446.5 Ų46.517%0.16826%0.255CS..EExtended strand (participates in β ladder)trans-152.6156-173.147.80000111.4I125 H148 I149I125-S127 WeakPolarHBondContact CG2-O 3.38Å; S127-H148 PolarHBondContact OG-CE1 3.01Å; S127-H148 PolarHBondContact OG-NE2 3.44Å; S127-I149 CarbonylContact C-O 3.59Å; S127-I149 VanDerWaalsContact CA-O 3.25Å; S127-I149 WeakPolarHBondContact CA-O 3.03Å; S127-I149 WeakPolarHBondContact CB-O 3.35Å
128V98.2Very high95Very high1 Ų155.9 Ų55.91%0.00630%0.296CS..EExtended strand (participates in β ladder)trans-119.2154.3171.1-58.50000109.7L68 L92 R93 V94 I149 L151 F183L68-V128 HydrophobicContact CD2-CG1 4.25Å; L92-V128 HydrophobicContact CD1-CB 3.97Å; L92-V128 HydrophobicContact CD1-CG2 3.9Å; R93-V128 WeakPolarHBondContact O-CA 3.39Å; V94-V128 HydrophobicContact CG1-CG1 4.47Å; V94-V128 HydrophobicContact CG2-CG1 3.9Å; V128-I149 HydrophobicContact CG2-CB 3.95Å; V128-I149 HydrophobicContact CG2-CG2 4.42Å; V128-I149 PolarHBondContact N-O 2.74Å; V128-I149 PolarHBondContact O-N 2.87Å; V128-L151 HydrophobicContact CG1-CD2 3.87Å; V128-L151 HydrophobicContact CG1-CG 4.5Å; V128-F183 HydrophobicContact CG2-CE1 3.94Å; V128-F183 HydrophobicContact CG2-CZ 3.84Å
129Y98.5Very high94.8Very high38 Ų3854.7 Ų54.715%0.14930%0.297CS..EExtended strand (participates in β ladder)trans-118.9119.5176.6-174.5-103.3000109.5R93 E131 W146 A147 H148R93-Y129 PolarHBondContact N-O 3.06Å; R93-Y129 PolarHBondContact O-N 2.95Å; Y129-E131 HydrophobicContact CD1-CG 3.99Å; Y129-E131 VanDerWaalsContact CE1-CD 3.49Å; Y129-E131 HydrophobicContact CE1-CG 3.35Å; Y129-W146 HydrophobicContact CE2-CD2 4.46Å; Y129-W146 AromaticContact CE2-CE3 3.75Å; Y129-W146 HydrophobicContact CE2-CE3 3.75Å; Y129-W146 HydrophobicContact CE2-CZ3 4.39Å; Y129-A147 WeakPolarHBondContact CD2-O 3.39Å; Y129-H148 HydrophobicContact CD2-CB 4.12Å
130L98.7Very high94.8Very high0 Ų063.7 Ų63.70%034%0.335CS..EExtended strand (participates in β ladder)trans-108.4136.9-179.4-179.5145.1000109.9M72 R91 L92 I132 W146 A147 I149 L167 V179 L181M72-L130 HydrophobicContact CG-CD1 4.21Å; R91-L130 CarbonylContact O-C 3.48Å; R91-L130 WeakPolarHBondContact O-CA 3.4Å; L92-L130 HydrophobicContact CD1-CB 3.95Å; L92-L130 HydrophobicContact CD1-CD1 4.3Å; L130-I132 HydrophobicContact CD2-CD1 4.19Å; L130-I132 HydrophobicContact CD2-CG1 3.66Å; L130-W146 CarbonylContact O-C 3.58Å; L130-W146 WeakPolarHBondContact O-CA 3.45Å; L130-W146 WeakPolarHBondContact O-CB 3.34Å; L130-A147 PolarHBondContact N-O 3.43Å; L130-A147 PolarHBondContact O-N 2.89Å; L130-I149 HydrophobicContact CB-CD1 4.44Å; L130-L167 HydrophobicContact CD2-CD2 4.04Å; L130-V179 HydrophobicContact CD1-CG2 4.3Å; L130-V179 HydrophobicContact CD2-CG1 4.36Å; L130-L181 HydrophobicContact CD1-CD1 4.11Å; L130-L181 HydrophobicContact CD1-CD2 3.81Å
131E98.6Very high94.9Very high33 Ų3362.4 Ų62.415%0.15433%0.334CS..EExtended strand (participates in β ladder)trans-125.1144.9169.7-60.3-175.312000109.1C90 R91 Y129 F133 R143 W146C90-E131 CarbonylContact C-O 3.5Å; C90-E131 VanDerWaalsContact CA-O 3.31Å; C90-E131 WeakPolarHBondContact CA-O 3.34Å; R91-E131 HydrophobicContact CB-CB 4.38Å; R91-E131 PolarHBondContact N-O 2.86Å; R91-E131 PolarHBondContact O-N 3.3Å; Y129-E131 HydrophobicContact CD1-CG 3.99Å; Y129-E131 VanDerWaalsContact CE1-CD 3.49Å; Y129-E131 HydrophobicContact CE1-CG 3.35Å; E131-F133 HydrophobicContact CB-CD2 4.13Å; E131-F133 HydrophobicContact CB-CE2 3.56Å; E131-F133 HydrophobicContact CG-CE2 4.43Å; E131-R143 HydrophobicContact CB-CG 4.33Å; E131-R143 WeakPolarHBondContact OE1-CD 3.45Å; E131-R143 IonicContact OE1-CZ 3.08Å; E131-R143 IonicContact OE1-NE 3.31Å; E131-R143 IonicContact OE1-NH1 2.71Å; E131-R143 PolarHBondContact OE1-NH1 2.71Å; E131-W146 HydrophobicContact CG-CB 4.16Å
132I98.6Very high94.9Very high0 Ų065.3 Ų65.30%035%0.348CS..EExtended strand (participates in β ladder)trans-115.3127.5171.6-49.5-178.4000107A75 L77 P88 Y89 W113 L130 I144 A145 L167A75-I132 HydrophobicContact CB-CD1 4.11Å; L77-I132 HydrophobicContact CD2-CD1 4.21Å; P88-I132 HydrophobicContact CB-CG2 4.06Å; Y89-I132 CarbonylContact O-C 3.26Å; Y89-I132 WeakPolarHBondContact O-CA 3.17Å; W113-I132 HydrophobicContact CH2-CD1 4.16Å; W113-I132 HydrophobicContact CH2-CG2 4.21Å; W113-I132 HydrophobicContact CZ2-CG2 4.19Å; L130-I132 HydrophobicContact CD2-CD1 4.19Å; L130-I132 HydrophobicContact CD2-CG1 3.66Å; I132-I144 HydrophobicContact CB-CG1 4.16Å; I132-I144 HydrophobicContact CG2-CD1 3.93Å; I132-I144 HydrophobicContact CG2-CG1 3.94Å; I132-I144 VanDerWaalsContact O-CG1 3.3Å; I132-I144 WeakPolarHBondContact O-CG1 3.38Å; I132-I144 PolarHBondContact O-N 3.08Å; I132-A145 HydrophobicContact CB-CB 4.1Å; I132-A145 HydrophobicContact CD1-CB 4.21Å; I132-A145 HydrophobicContact CG1-CB 4.29Å; I132-A145 PolarHBondContact N-O 2.82Å; I132-A145 PolarHBondContact O-N 2.8Å; I132-L167 HydrophobicContact CD1-CD1 3.63Å; I132-L167 HydrophobicContact CD1-CD2 3.97Å; I132-L167 HydrophobicContact CD1-CG 4.48Å
133F98.2Very high95.1Very high22 Ų2268.3 Ų68.310%0.09635%0.353CS..EExtended strand (participates in β ladder)trans-111.5153.6177.9-75.6-99.8000110.2P88 Y89 R91 E131 D141 E142 R143P88-F133 CarbonylContact C-O 3.41Å; P88-F133 WeakPolarHBondContact CA-O 3.43Å; Y89-F133 HydrophobicContact CD1-CB 3.91Å; Y89-F133 HydrophobicContact CD2-CB 4.44Å; Y89-F133 HydrophobicContact CE1-CB 3.39Å; Y89-F133 HydrophobicContact CE1-CG 4.32Å; Y89-F133 HydrophobicContact CE2-CB 3.97Å; Y89-F133 HydrophobicContact CE2-CD2 4.26Å; Y89-F133 HydrophobicContact CE2-CG 4.28Å; Y89-F133 HydrophobicContact CG-CB 4.41Å; Y89-F133 VanDerWaalsContact CZ-CB 3.43Å; Y89-F133 AromaticContact CZ-CG 3.88Å; Y89-F133 PolarHBondContact N-O 3.1Å; Y89-F133 PolarHBondContact O-N 3.2Å; R91-F133 HydrophobicContact CB-CE2 4.44Å; R91-F133 HydrophobicContact CG-CD2 3.94Å; R91-F133 HydrophobicContact CG-CE2 3.94Å; R91-F133 VanDerWaalsContact NH1-CZ 3.33Å; E131-F133 HydrophobicContact CB-CD2 4.13Å; E131-F133 HydrophobicContact CB-CE2 3.56Å; E131-F133 HydrophobicContact CG-CE2 4.43Å; F133-D141 HydrophobicContact CB-CB 4.45Å; F133-D141 HydrophobicContact CD1-CB 3.99Å; F133-E142 CarbonylContact C-O 3.46Å; F133-E142 VanDerWaalsContact CA-O 3.22Å; F133-E142 WeakPolarHBondContact CA-O 3.35Å; F133-R143 HydrophobicContact CD1-CB 4.02Å; F133-R143 HydrophobicContact CE1-CB 3.65Å; F133-R143 HydrophobicContact CE1-CG 4.39Å; F133-R143 HydrophobicContact CE2-CB 4.36Å; F133-R143 HydrophobicContact CE2-CG 4.23Å; F133-R143 HydrophobicContact CZ-CB 3.83Å; F133-R143 HydrophobicContact CZ-CG 4.12Å
134D97.3Very high95.4Very high9 Ų962 Ų625%0.04832%0.324CS..EExtended strand (participates in β ladder)trans-100112.5164.5172.745000107.7M86 D87 R136 D141 E142 I144M86-D134 WeakPolarHBondContact CA-OD1 3.39Å; M86-D134 HydrophobicContact CB-CB 4.37Å; M86-D134 VanDerWaalsContact CB-OD1 3.22Å; M86-D134 WeakPolarHBondContact CB-OD1 3.47Å; M86-D134 HydrophobicContact CG-CB 4.44Å; D87-D134 PolarHBondContact N-OD1 3.44Å; D134-R136 IonicContact OD2-CZ 3.52Å; D134-R136 IonicContact OD2-NE 2.98Å; D134-R136 PolarHBondContact OD2-NE 3.44Å; D134-R136 IonicContact OD2-NH2 3.74Å; D134-R136 PolarHBondContact OD2-NH2 2.87Å; D134-R136 VanDerWaalsContact OD2-NH2 3.13Å; D134-D141 WeakPolarHBondContact O-CA 3.36Å; D134-E142 PolarHBondContact N-O 3.05Å; D134-E142 PolarHBondContact O-N 2.84Å; D134-E142 VanDerWaalsContact O-N 3.15Å; D134-I144 HydrophobicContact CB-CD1 4.37Å; D134-I144 HydrophobicContact CB-CG2 3.67Å
135E96.8Very high95.7Very high91 Ų9158.8 Ų58.843%0.42529%0.291SS..  trans-68.1135.2176.5-174.9176.5-176.800109.9D87 Y89 T103 D141D87-E135 HydrophobicContact CB-CB 4.27Å; D87-E135 WeakPolarHBondContact O-CB 3.43Å; D87-E135 PolarHBondContact O-N 2.95Å; Y89-E135 HydrophobicContact CD1-CB 4.18Å; Y89-E135 HydrophobicContact CE1-CB 4.18Å; T103-E135 WeakPolarHBondContact CB-OE2 3.4Å; T103-E135 HydrophobicContact CG2-CB 4.07Å; T103-E135 VanDerWaalsContact CG2-OE2 3.3Å; T103-E135 WeakPolarHBondContact CG2-OE2 3.42Å; T103-E135 PolarHBondContact OG1-OE2 2.82Å; E135-D141 WeakPolarHBondContact CA-OD1 3.35Å
136R92.4Very high95.8Very high70 Ų7060.2 Ų60.226%0.26429%0.293SS..  trans-127.4128.8-177.7-66.1-172173.7169.30.7112.1D134 F138 T139 D141 E142D134-R136 IonicContact OD2-CZ 3.52Å; D134-R136 IonicContact OD2-NE 2.98Å; D134-R136 PolarHBondContact OD2-NE 3.44Å; D134-R136 IonicContact OD2-NH2 3.74Å; D134-R136 PolarHBondContact OD2-NH2 2.87Å; D134-R136 VanDerWaalsContact OD2-NH2 3.13Å; R136-F138 VanDerWaalsContact C-N 3.3Å; R136-F138 PolarHBondContact O-N 2.84Å; R136-T139 WeakPolarHBondContact CB-O 3.41Å; R136-T139 WeakPolarHBondContact CB-OG1 3.27Å; R136-T139 WeakPolarHBondContact CD-OG1 3.48Å; R136-D141 PolarHBondContact N-OD1 3.1Å; R136-E142 IonicContact CZ-OE2 3.04Å; R136-E142 IonicContact NH1-OE2 2.8Å; R136-E142 PolarHBondContact NH1-OE2 2.84Å; R136-E142 IonicContact NH2-OE2 3.83Å; R136-E142 PolarHBondContact NH2-OE2 2.84Å
137A87.1Confident96Very high92 Ų9255.6 Ų55.676%0.7627%0.269SS*.SBendtrans-63.7-29.9-17800000114.6
138F87.2Confident96Very high202 Ų20259.7 Ų59.789%0.88629%0.286SS*.SBendtrans-127.6-2.2-170.2-57-67.6000114.7R136R136-F138 VanDerWaalsContact C-N 3.3Å; R136-F138 PolarHBondContact O-N 2.84Å
139T89.8Confident96Very high86 Ų8659.8 Ų59.853%0.52829%0.286SS..SBendtrans-136.2171.317962.80000109.3R136R136-T139 WeakPolarHBondContact CB-O 3.41Å; R136-T139 WeakPolarHBondContact CB-OG1 3.27Å; R136-T139 WeakPolarHBondContact CD-OG1 3.48Å
140F94.2Very high96Very high195 Ų19562.1 Ų62.186%0.85531%0.306SS*.PPolyproline II helixtrans-60.6145.1169.7-59.3-70.2000111.2
141D95.7Very high95.9Very high56 Ų5662.2 Ų62.230%0.29931%0.306SS..PPolyproline II helixtrans-57.4137.9172-59.4-10.5000110.4Y89 F133 D134 E135 R136Y89-D141 HydrophobicContact CE1-CB 4.37Å; Y89-D141 WeakPolarHBondContact CE1-OD2 3.44Å; Y89-D141 PolarHBondContact OH-OD2 3.09Å; F133-D141 HydrophobicContact CB-CB 4.45Å; F133-D141 HydrophobicContact CD1-CB 3.99Å; D134-D141 WeakPolarHBondContact O-CA 3.36Å; E135-D141 WeakPolarHBondContact CA-OD1 3.35Å; R136-D141 PolarHBondContact N-OD1 3.1Å
142E95.3Very high95.9Very high61 Ų6161.7 Ų61.729%0.28531%0.306SS..EExtended strand (participates in β ladder)trans-101129179.9-175.4173.6165.400109.8F133 D134 R136 I144F133-E142 CarbonylContact C-O 3.46Å; F133-E142 VanDerWaalsContact CA-O 3.22Å; F133-E142 WeakPolarHBondContact CA-O 3.35Å; D134-E142 PolarHBondContact N-O 3.05Å; D134-E142 PolarHBondContact O-N 2.84Å; D134-E142 VanDerWaalsContact O-N 3.15Å; R136-E142 IonicContact CZ-OE2 3.04Å; R136-E142 IonicContact NH1-OE2 2.8Å; R136-E142 PolarHBondContact NH1-OE2 2.84Å; R136-E142 IonicContact NH2-OE2 3.83Å; R136-E142 PolarHBondContact NH2-OE2 2.84Å; E142-I144 PolarHBondContact O-N 3.26Å
143R97.5Very high95.8Very high107 Ų10767.9 Ų67.940%0.40434%0.335SS..EExtended strand (participates in β ladder)trans-72.8111169.7-172.9-176.767.2-172.21.7109.4E131 F133E131-R143 HydrophobicContact CB-CG 4.33Å; E131-R143 WeakPolarHBondContact OE1-CD 3.45Å; E131-R143 IonicContact OE1-CZ 3.08Å; E131-R143 IonicContact OE1-NE 3.31Å; E131-R143 IonicContact OE1-NH1 2.71Å; E131-R143 PolarHBondContact OE1-NH1 2.71Å; F133-R143 HydrophobicContact CD1-CB 4.02Å; F133-R143 HydrophobicContact CE1-CB 3.65Å; F133-R143 HydrophobicContact CE1-CG 4.39Å; F133-R143 HydrophobicContact CE2-CB 4.36Å; F133-R143 HydrophobicContact CE2-CG 4.23Å; F133-R143 HydrophobicContact CZ-CB 3.83Å; F133-R143 HydrophobicContact CZ-CG 4.12Å
144I97.4Very high95.8Very high1 Ų168 Ų681%0.00534%0.34CS..EExtended strand (participates in β ladder)trans-93.5-28.3-176.858.5174000112.9L77 Y81 M86 P88 I132 D134 E142 E176L77-I144 HydrophobicContact CD1-CD1 3.67Å; Y81-I144 HydrophobicContact CD2-CB 3.68Å; Y81-I144 HydrophobicContact CD2-CG2 3.45Å; Y81-I144 VanDerWaalsContact CD2-CG2 3.45Å; Y81-I144 HydrophobicContact CE2-CB 3.86Å; Y81-I144 HydrophobicContact CE2-CG2 4.13Å; Y81-I144 HydrophobicContact CG-CG2 4.01Å; M86-I144 HydrophobicContact CE-CD1 3.79Å; M86-I144 HydrophobicContact SD-CD1 3.68Å; M86-I144 HydrophobicContact SD-CG2 4.09Å; P88-I144 HydrophobicContact CB-CD1 4.19Å; I132-I144 HydrophobicContact CB-CG1 4.16Å; I132-I144 HydrophobicContact CG2-CD1 3.93Å; I132-I144 HydrophobicContact CG2-CG1 3.94Å; I132-I144 VanDerWaalsContact O-CG1 3.3Å; I132-I144 WeakPolarHBondContact O-CG1 3.38Å; I132-I144 PolarHBondContact O-N 3.08Å; D134-I144 HydrophobicContact CB-CD1 4.37Å; D134-I144 HydrophobicContact CB-CG2 3.67Å; E142-I144 PolarHBondContact O-N 3.26Å; I144-E176 VanDerWaalsContact O-CG 3.29Å; I144-E176 WeakPolarHBondContact O-CG 3.31Å
145A98.5Very high95.8Very high0 Ų067.6 Ų67.60%034%0.337CS..EExtended strand (participates in β ladder)trans-152.6163.4178.600000112.3L77 I132 L167 S168 E176L77-A145 HydrophobicContact CD2-CB 4.19Å; I132-A145 HydrophobicContact CB-CB 4.1Å; I132-A145 HydrophobicContact CD1-CB 4.21Å; I132-A145 HydrophobicContact CG1-CB 4.29Å; I132-A145 PolarHBondContact N-O 2.82Å; I132-A145 PolarHBondContact O-N 2.8Å; A145-L167 HydrophobicContact CB-CB 4.17Å; A145-L167 HydrophobicContact CB-CD1 4.14Å; A145-L167 HydrophobicContact CB-CD2 4.27Å; A145-L167 HydrophobicContact CB-CG 4.45Å; A145-S168 CarbonylContact C-O 3.44Å; A145-S168 VanDerWaalsContact CA-O 3.31Å; A145-S168 WeakPolarHBondContact CA-O 3.39Å; A145-E176 HydrophobicContact CB-CB 4.23Å; A145-E176 HydrophobicContact CB-CG 3.57Å
146W98.7Very high95.7Very high76 Ų7665.2 Ų65.229%0.28833%0.326SS..EExtended strand (participates in β ladder)trans-157.7160174.261-87.6000112.1Y129 L130 E131 S168Y129-W146 HydrophobicContact CE2-CD2 4.46Å; Y129-W146 AromaticContact CE2-CE3 3.75Å; Y129-W146 HydrophobicContact CE2-CE3 3.75Å; Y129-W146 HydrophobicContact CE2-CZ3 4.39Å; L130-W146 CarbonylContact O-C 3.58Å; L130-W146 WeakPolarHBondContact O-CA 3.45Å; L130-W146 WeakPolarHBondContact O-CB 3.34Å; E131-W146 HydrophobicContact CG-CB 4.16Å; W146-S168 VanDerWaalsContact CE2-CB 3.5Å; W146-S168 VanDerWaalsContact CZ2-CB 3.44Å; W146-S168 PolarHBondContact N-O 3.14Å; W146-S168 PolarHBondContact O-N 3.03Å
147A98.7Very high95.8Very high4 Ų468.1 Ų68.13%0.03335%0.347CS..EExtended strand (participates in β ladder)trans-148.1144.9172.100000111.6Y129 L130 I149 L167Y129-A147 WeakPolarHBondContact CD2-O 3.39Å; L130-A147 PolarHBondContact N-O 3.43Å; L130-A147 PolarHBondContact O-N 2.89Å; A147-I149 HydrophobicContact CB-CD1 3.94Å; A147-I149 HydrophobicContact CB-CG1 3.83Å; A147-L167 HydrophobicContact CB-CD2 4.06Å
148H98.2Very high96.2Very high110 Ų11066.4 Ų66.451%0.50934%0.338SS..EExtended strand (participates in β ladder)trans-105.1115166.8-176.8-96.3000108.3S127 Y129S127-H148 PolarHBondContact OG-CE1 3.01Å; S127-H148 PolarHBondContact OG-NE2 3.44Å; Y129-H148 HydrophobicContact CD2-CB 4.12Å
149I98.4Very high96.7Very high2 Ų261.7 Ų61.71%0.0132%0.318CS..EExtended strand (participates in β ladder)trans-119.6109.4-164.4-59.7171.4000108.8S127 V128 L130 A147 Y165 L181 F183S127-I149 CarbonylContact C-O 3.59Å; S127-I149 VanDerWaalsContact CA-O 3.25Å; S127-I149 WeakPolarHBondContact CA-O 3.03Å; S127-I149 WeakPolarHBondContact CB-O 3.35Å; V128-I149 HydrophobicContact CG2-CB 3.95Å; V128-I149 HydrophobicContact CG2-CG2 4.42Å; V128-I149 PolarHBondContact N-O 2.74Å; V128-I149 PolarHBondContact O-N 2.87Å; L130-I149 HydrophobicContact CB-CD1 4.44Å; A147-I149 HydrophobicContact CB-CD1 3.94Å; A147-I149 HydrophobicContact CB-CG1 3.83Å; I149-Y165 HydrophobicContact CB-CD1 4.38Å; I149-Y165 HydrophobicContact CD1-CD1 4.28Å; I149-Y165 HydrophobicContact CD1-CD2 4.33Å; I149-Y165 HydrophobicContact CD1-CG 3.9Å; I149-Y165 HydrophobicContact CG1-CD1 4.11Å; I149-Y165 HydrophobicContact CG1-CG 4.21Å; I149-Y165 HydrophobicContact CG2-CD1 3.49Å; I149-Y165 VanDerWaalsContact CG2-CD1 3.49Å; I149-Y165 HydrophobicContact CG2-CE1 3.35Å; I149-Y165 HydrophobicContact CG2-CE2 4.46Å; I149-Y165 HydrophobicContact CG2-CG 4.09Å; I149-L181 HydrophobicContact CD1-CD1 3.33Å; I149-F183 HydrophobicContact CG2-CE2 4.2Å; I149-F183 HydrophobicContact CG2-CZ 4.11Å
150P98.2Very high97.1Very high87 Ų8762.1 Ų62.157%0.56532%0.321SS*.EExtended strand (participates in β ladder)trans-58.7138168.3-21.233.5000110.4P152P150-P152 WeakPolarHBondContact O-CD 3.4Å
151L98.1Very high97.3Very high3 Ų354.4 Ų54.42%0.01629%0.288CS..PPolyproline II helixtrans-66.1126.3175.4-71174.2000109.5L68 L121 D126 V128 Q153 I155 F156 F183L68-L151 HydrophobicContact CD1-CD2 4.07Å; L68-L151 HydrophobicContact CD2-CD2 4.07Å; L121-L151 HydrophobicContact CD1-CD1 3.77Å; L121-L151 HydrophobicContact CD2-CD1 3.78Å; L121-L151 HydrophobicContact CG-CD1 4.46Å; D126-L151 PolarHBondContact O-N 2.81Å; V128-L151 HydrophobicContact CG1-CD2 3.87Å; V128-L151 HydrophobicContact CG1-CG 4.5Å; L151-Q153 PolarHBondContact O-N 2.9Å; L151-Q153 PolarHBondContact O-NE2 3.07Å; L151-I155 HydrophobicContact CB-CD1 4.09Å; L151-I155 HydrophobicContact CD2-CD1 4.08Å; L151-F156 HydrophobicContact CB-CE2 4.23Å; L151-F156 HydrophobicContact CB-CZ 4.3Å; L151-F156 HydrophobicContact CD1-CZ 4.13Å; L151-F183 HydrophobicContact CD2-CD1 3.99Å; L151-F183 HydrophobicContact CD2-CE1 3.92Å
152P97.9Very high97.4Very high22 Ų2256.6 Ų56.614%0.14330%0.3CS..PPolyproline II helixtrans-58.7129.1177.6-23.733.1000110.6P150 A154 I155 I161 Y165 F183P150-P152 WeakPolarHBondContact O-CD 3.4Å; P152-A154 PolarHBondContact O-N 2.9Å; P152-A154 VanDerWaalsContact O-N 3.16Å; P152-I155 HydrophobicContact CB-CG2 4.25Å; P152-I155 VanDerWaalsContact O-CG1 3.28Å; P152-I155 WeakPolarHBondContact O-CG1 3.34Å; P152-I155 PolarHBondContact O-N 3.35Å; P152-I161 HydrophobicContact CB-CB 4.27Å; P152-I161 HydrophobicContact CB-CG1 3.98Å; P152-I161 HydrophobicContact CB-CG2 4.1Å; P152-I161 HydrophobicContact CG-CB 4.26Å; P152-I161 HydrophobicContact CG-CG2 3.95Å; P152-Y165 WeakPolarHBondContact CG-OH 3.42Å; P152-F183 HydrophobicContact CG-CD2 4.26Å
153Q96.8Very high97.6Very high130 Ų13058.4 Ų58.461%0.60731%0.309SS*.G310 helixtrans-62.4-28.8-174.3-66.4-58-60.400113.1L151 I155 F156L151-Q153 PolarHBondContact O-N 2.9Å; L151-Q153 PolarHBondContact O-NE2 3.07Å; Q153-I155 PolarHBondContact O-N 2.97Å; Q153-F156 WeakPolarHBondContact O-CD2 3.42Å; Q153-F156 PolarHBondContact O-N 2.82Å; Q153-F156 VanDerWaalsContact O-N 3.16Å
154A97.4Very high97.6Very high24 Ų2457.6 Ų57.620%0.19831%0.306CS..G310 helixtrans-58.8-30.1178.800000113.8P152 F156 N157 E159 I161P152-A154 PolarHBondContact O-N 2.9Å; P152-A154 VanDerWaalsContact O-N 3.16Å; A154-F156 PolarHBondContact O-N 3.06Å; A154-N157 WeakPolarHBondContact O-CB 3.29Å; A154-N157 PolarHBondContact O-N 3.47Å; A154-E159 HydrophobicContact CB-CB 4.09Å; A154-E159 HydrophobicContact CB-CG 4.42Å; A154-E159 WeakPolarHBondContact CB-OE2 3.17Å; A154-E159 WeakPolarHBondContact O-CB 3.29Å; A154-E159 PolarHBondContact O-N 3.05Å; A154-I161 HydrophobicContact CB-CD1 3.72Å; A154-I161 HydrophobicContact CB-CG1 4.05Å
155I97.5Very high97.7Very high0 Ų059.2 Ų59.20%031%0.312CS..G310 helixtrans-64.2-28.9179.578.2-171.9000112L68 L151 P152 Q153 N157 G158 E159 I161 F183 L185L68-I155 HydrophobicContact CD1-CD1 3.79Å; L151-I155 HydrophobicContact CB-CD1 4.09Å; L151-I155 HydrophobicContact CD2-CD1 4.08Å; P152-I155 HydrophobicContact CB-CG2 4.25Å; P152-I155 VanDerWaalsContact O-CG1 3.28Å; P152-I155 WeakPolarHBondContact O-CG1 3.34Å; P152-I155 PolarHBondContact O-N 3.35Å; Q153-I155 PolarHBondContact O-N 2.97Å; I155-N157 PolarHBondContact O-N 3.18Å; I155-G158 PolarHBondContact O-N 3.31Å; I155-E159 WeakPolarHBondContact CA-O 3.31Å; I155-I161 HydrophobicContact CG2-CB 4.35Å; I155-I161 HydrophobicContact CG2-CG1 3.83Å; I155-F183 HydrophobicContact CG2-CB 3.87Å; I155-L185 HydrophobicContact CB-CB 4.21Å; I155-L185 HydrophobicContact CG1-CB 4.07Å; I155-L185 WeakPolarHBondContact O-CB 3.27Å
156F95.4Very high97.7Very high42 Ų4262.7 Ų62.718%0.18434%0.336CS..G310 helixtrans-70.4-13.4177.7-62-76.3000112.9R65 L121 L151 Q153 A154 L185R65-F156 HydrophobicContact CG-CE1 4.49Å; R65-F156 VanDerWaalsContact CZ-CD1 3.46Å; R65-F156 VanDerWaalsContact CZ-CE1 3.42Å; R65-F156 VanDerWaalsContact NH1-CE1 3.29Å; L121-F156 HydrophobicContact CD2-CE1 3.65Å; L121-F156 HydrophobicContact CD2-CZ 3.99Å; L151-F156 HydrophobicContact CB-CE2 4.23Å; L151-F156 HydrophobicContact CB-CZ 4.3Å; L151-F156 HydrophobicContact CD1-CZ 4.13Å; Q153-F156 WeakPolarHBondContact O-CD2 3.42Å; Q153-F156 PolarHBondContact O-N 2.82Å; Q153-F156 VanDerWaalsContact O-N 3.16Å; A154-F156 PolarHBondContact O-N 3.06Å; F156-L185 HydrophobicContact CD1-CD2 3.44Å; F156-L185 VanDerWaalsContact CD1-CD2 3.44Å; F156-L185 HydrophobicContact CE1-CD2 3.81Å; F156-L185 HydrophobicContact CG-CD2 4.32Å
157N94.8Very high97.7Very high131 Ų13159.1 Ų59.170%0.70132%0.323SS*.G310 helixtrans-96.86.3172-57.1-31.6000112.4A154 I155A154-N157 WeakPolarHBondContact O-CB 3.29Å; A154-N157 PolarHBondContact O-N 3.47Å; I155-N157 PolarHBondContact O-N 3.18Å
158G94.1Very high97.7Very high56 Ų5659.4 Ų59.458%0.57733%0.325SS*.THydrogen-bonded Turntrans88.79.9-179.300000114.8I155I155-G158 PolarHBondContact O-N 3.31Å
159E97.6Very high97.7Very high102 Ų10255.1 Ų55.148%0.47731%0.31SS..  trans-79.2152.4176.9-61.6-179.8-147.700112.3A154 I155 I161A154-E159 HydrophobicContact CB-CB 4.09Å; A154-E159 HydrophobicContact CB-CG 4.42Å; A154-E159 WeakPolarHBondContact CB-OE2 3.17Å; A154-E159 WeakPolarHBondContact O-CB 3.29Å; A154-E159 PolarHBondContact O-N 3.05Å; I155-E159 WeakPolarHBondContact CA-O 3.31Å; E159-I161 HydrophobicContact CB-CD1 4.34Å
160T98.3Very high97.6Very high95 Ų9560 Ų6058%0.58334%0.337SS*.  trans-102.6124.6170.2-61.60000109.1I182 F183T160-I182 HydrophobicContact CG2-CG2 3.54Å; T160-F183 CarbonylContact C-O 3.55Å; T160-F183 WeakPolarHBondContact CA-O 3.29Å
161I98.6Very high97.4Very high33 Ų3360 Ų6017%0.16933%0.329CS..EExtended strand (participates in β ladder)trans-114.4117.4-175.6-57.3-59.1000109.7P152 A154 I155 E159 E163 I182 F183P152-I161 HydrophobicContact CB-CB 4.27Å; P152-I161 HydrophobicContact CB-CG1 3.98Å; P152-I161 HydrophobicContact CB-CG2 4.1Å; P152-I161 HydrophobicContact CG-CB 4.26Å; P152-I161 HydrophobicContact CG-CG2 3.95Å; A154-I161 HydrophobicContact CB-CD1 3.72Å; A154-I161 HydrophobicContact CB-CG1 4.05Å; I155-I161 HydrophobicContact CG2-CB 4.35Å; I155-I161 HydrophobicContact CG2-CG1 3.83Å; E159-I161 HydrophobicContact CB-CD1 4.34Å; I161-E163 HydrophobicContact CG2-CB 4.37Å; I161-I182 CarbonylContact O-C 3.5Å; I161-I182 VanDerWaalsContact O-CA 3.23Å; I161-I182 WeakPolarHBondContact O-CA 3.37Å; I161-F183 PolarHBondContact N-O 3.18Å; I161-F183 PolarHBondContact O-N 3.43Å
162D98.5Very high97.4Very high103 Ų10361.2 Ų61.255%0.55134%0.342SS*.EExtended strand (participates in β ladder)trans-108.2111.4174.2-178.80.2000109.4N180 I182D162-N180 PolarHBondContact OD1-ND2 2.9Å; D162-I182 HydrophobicContact CB-CG1 4.04Å; D162-I182 HydrophobicContact CB-CG2 4.44Å
163E98.4Very high97.4Very high99 Ų9968.3 Ų68.346%0.46337%0.373SS..EExtended strand (participates in β ladder)trans-146.3158.2-173.4-167.5168.4-174.800112.9I161 Y165 N180 L181I161-E163 HydrophobicContact CG2-CB 4.37Å; E163-Y165 HydrophobicContact CB-CE2 3.88Å; E163-Y165 HydrophobicContact CG-CE2 4.47Å; E163-N180 WeakPolarHBondContact O-CA 3.38Å; E163-N180 PolarHBondContact O-ND2 3.45Å; E163-N180 VanDerWaalsContact O-ND2 3.14Å; E163-L181 PolarHBondContact N-O 2.93Å; E163-L181 VanDerWaalsContact N-O 3.08Å; E163-L181 PolarHBondContact O-N 3.39Å
164W98.6Very high97.4Very high90 Ų9063.9 Ų63.934%0.34136%0.363SS..EExtended strand (participates in β ladder)trans-97.6126.3172.7-73.888.1000111.2Q74 N76 M178 V179 N180Q74-W164 HydrophobicContact CG-CH2 3.71Å; Q74-W164 HydrophobicContact CG-CZ2 4.11Å; N76-W164 HydrophobicContact CB-CZ3 4.27Å; N76-W164 WeakPolarHBondContact ND2-CH2 3.47Å; W164-M178 HydrophobicContact CB-CB 4.46Å; W164-M178 HydrophobicContact CB-SD 4.35Å; W164-M178 HydrophobicContact CE3-CB 3.63Å; W164-M178 HydrophobicContact CZ3-CB 4.31Å; W164-V179 CarbonylContact C-O 3.52Å; W164-V179 WeakPolarHBondContact CA-O 3.07Å; W164-N180 HydrophobicContact CD2-CB 3.76Å; W164-N180 HydrophobicContact CE3-CB 3.82Å; W164-N180 HydrophobicContact CG-CB 4.44Å; W164-N180 HydrophobicContact CH2-CB 3.87Å; W164-N180 HydrophobicContact CZ2-CB 3.76Å; W164-N180 HydrophobicContact CZ3-CB 3.88Å
165Y98.7Very high97.5Very high34 Ų3469.3 Ų69.313%0.13338%0.382CS..EExtended strand (participates in β ladder)trans-110.2134.5180-61.9-90.5000110.7I149 P152 E163 M178 V179 L181 F183I149-Y165 HydrophobicContact CB-CD1 4.38Å; I149-Y165 HydrophobicContact CD1-CD1 4.28Å; I149-Y165 HydrophobicContact CD1-CD2 4.33Å; I149-Y165 HydrophobicContact CD1-CG 3.9Å; I149-Y165 HydrophobicContact CG1-CD1 4.11Å; I149-Y165 HydrophobicContact CG1-CG 4.21Å; I149-Y165 HydrophobicContact CG2-CD1 3.49Å; I149-Y165 VanDerWaalsContact CG2-CD1 3.49Å; I149-Y165 HydrophobicContact CG2-CE1 3.35Å; I149-Y165 HydrophobicContact CG2-CE2 4.46Å; I149-Y165 HydrophobicContact CG2-CG 4.09Å; P152-Y165 WeakPolarHBondContact CG-OH 3.42Å; E163-Y165 HydrophobicContact CB-CE2 3.88Å; E163-Y165 HydrophobicContact CG-CE2 4.47Å; Y165-M178 CarbonylContact O-C 3.55Å; Y165-M178 WeakPolarHBondContact O-CA 3.31Å; Y165-V179 PolarHBondContact N-O 2.93Å; Y165-V179 PolarHBondContact O-N 3.4Å; Y165-L181 HydrophobicContact CD2-CB 4.02Å; Y165-L181 HydrophobicContact CD2-CD1 4.09Å; Y165-L181 HydrophobicContact CD2-CG 4.12Å; Y165-L181 HydrophobicContact CE2-CB 3.9Å; Y165-L181 HydrophobicContact CE2-CD1 4.42Å; Y165-L181 HydrophobicContact CE2-CG 4.46Å; Y165-F183 HydrophobicContact CE2-CD2 4.36Å; Y165-F183 AromaticContact CE2-CE2 3.8Å; Y165-F183 HydrophobicContact CE2-CE2 3.8Å; Y165-F183 AromaticContact CZ-CE2 3.86Å
166S98.6Very high97.5Very high74 Ų7469.4 Ų69.452%0.51738%0.382SS..EExtended strand (participates in β ladder)trans-69136.8179.1-66.30000111.8
167L98.9Very high97.6Very high0 Ų067.9 Ų67.90%038%0.379CS..EExtended strand (participates in β ladder)trans-101.3142179.9-67.8166.7000111.1L77 L130 I132 A145 A147 G174 K175 E176 G177 V179L77-L167 HydrophobicContact CD2-CD1 3.63Å; L130-L167 HydrophobicContact CD2-CD2 4.04Å; I132-L167 HydrophobicContact CD1-CD1 3.63Å; I132-L167 HydrophobicContact CD1-CD2 3.97Å; I132-L167 HydrophobicContact CD1-CG 4.48Å; A145-L167 HydrophobicContact CB-CB 4.17Å; A145-L167 HydrophobicContact CB-CD1 4.14Å; A145-L167 HydrophobicContact CB-CD2 4.27Å; A145-L167 HydrophobicContact CB-CG 4.45Å; A147-L167 HydrophobicContact CB-CD2 4.06Å; L167-G174 CarbonylContact O-C 3.5Å; L167-G174 WeakPolarHBondContact O-CA 3.42Å; L167-K175 PolarHBondContact O-N 3.04Å; L167-K175 VanDerWaalsContact O-N 3.1Å; L167-E176 HydrophobicContact CB-CB 3.98Å; L167-E176 WeakPolarHBondContact O-CB 3.29Å; L167-E176 PolarHBondContact O-N 2.71Å; L167-G177 PolarHBondContact N-O 3.17Å; L167-V179 HydrophobicContact CD1-CB 4.12Å; L167-V179 HydrophobicContact CD2-CB 4.09Å; L167-V179 HydrophobicContact CD2-CG1 3.78Å; L167-V179 HydrophobicContact CG-CB 4.21Å; L167-V179 HydrophobicContact CG-CG1 4.16Å
168S98.7Very high97.8Very high10 Ų1065.6 Ų65.67%0.0737%0.365CS..EExtended strand (participates in β ladder)trans-107.4155.9171.9-610000110.4A145 W146 G172 E173 G174A145-S168 CarbonylContact C-O 3.44Å; A145-S168 VanDerWaalsContact CA-O 3.31Å; A145-S168 WeakPolarHBondContact CA-O 3.39Å; W146-S168 VanDerWaalsContact CE2-CB 3.5Å; W146-S168 VanDerWaalsContact CZ2-CB 3.44Å; W146-S168 PolarHBondContact N-O 3.14Å; W146-S168 PolarHBondContact O-N 3.03Å; S168-G172 WeakPolarHBondContact CA-O 3.49Å; S168-E173 WeakPolarHBondContact OG-CA 3.29Å; S168-G174 PolarHBondContact OG-N 3.06Å
169G97.7Very high98Very high20 Ų2062.9 Ų62.921%0.20634%0.337CS..EExtended strand (participates in β ladder)trans-179.6-150.1-17700000112.2Q171 G172 E176G169-Q171 PolarHBondContact O-N 3.43Å; G169-G172 PolarHBondContact N-O 3.42Å; G169-G172 PolarHBondContact O-N 3.19Å; G169-G172 VanDerWaalsContact O-N 3.07Å; G169-E176 VanDerWaalsContact C-OE2 3.28Å; G169-E176 VanDerWaalsContact CA-OE2 3.29Å; G169-E176 WeakPolarHBondContact CA-OE2 3.42Å
170N96.2Very high98.1Very high106 Ų10658.5 Ų58.557%0.56732%0.317SS*.THydrogen-bonded Turntrans-68.4-20.3-179.9-67.5-26.2000112.5Y81 G172 E176Y81-N170 HydrophobicContact CE1-CB 4.09Å; N170-G172 VanDerWaalsContact C-N 3.27Å; N170-E176 PolarHBondContact N-OE2 3.33Å
171Q95.6Very high98.1Very high85 Ų8554 Ų5440%0.39729%0.289SS..THydrogen-bonded Turntrans-77-11.6172.3-59.4-48.4-70.700113.5G169 K175 E176G169-Q171 PolarHBondContact O-N 3.43Å; Q171-K175 HydrophobicContact CB-CB 4.01Å; Q171-E176 WeakPolarHBondContact CB-OE2 3.5Å; Q171-E176 WeakPolarHBondContact CG-OE2 3.39Å; Q171-E176 PolarHBondContact N-OE2 3.32Å
172G96.9Very high98.1Very high29 Ų2954.5 Ų54.530%0.29929%0.292SS..EExtended strand (participates in β ladder)trans112.6-177.9-177.100000113.5S168 G169 N170 G174 K175S168-G172 WeakPolarHBondContact CA-O 3.49Å; G169-G172 PolarHBondContact N-O 3.42Å; G169-G172 PolarHBondContact O-N 3.19Å; G169-G172 VanDerWaalsContact O-N 3.07Å; N170-G172 VanDerWaalsContact C-N 3.27Å; G172-G174 PolarHBondContact O-N 3.23Å; G172-K175 PolarHBondContact O-N 3.49Å
173E97.8Very high98.1Very high171 Ų17149.6 Ų49.680%0.79927%0.266SS*.EExtended strand (participates in β ladder)trans-67.7124.7-177.9-172.2173.6-167.800111.5S168 K175S168-E173 WeakPolarHBondContact OG-CA 3.29Å; E173-K175 WeakPolarHBondContact O-CG 3.38Å; E173-K175 PolarHBondContact O-N 2.92Å
174G98Very high98.1Very high37 Ų3746 Ų4638%0.38125%0.251SS..EExtended strand (participates in β ladder)trans65.513.4-179.500000115.4L167 S168 G172L167-G174 CarbonylContact O-C 3.5Å; L167-G174 WeakPolarHBondContact O-CA 3.42Å; S168-G174 PolarHBondContact OG-N 3.06Å; G172-G174 PolarHBondContact O-N 3.23Å
175K98.2Very high98Very high139 Ų13942.4 Ų42.460%0.60424%0.239SC*.EExtended strand (participates in β ladder)trans-111.8-0.4-173.3-69.7177.5-175.5-177.90114.2T78 L167 Q171 G172 E173 G177T78-K175 WeakPolarHBondContact CG2-O 3.49Å; T78-K175 PolarHBondContact OG1-O 3.14Å; L167-K175 PolarHBondContact O-N 3.04Å; L167-K175 VanDerWaalsContact O-N 3.1Å; Q171-K175 HydrophobicContact CB-CB 4.01Å; G172-K175 PolarHBondContact O-N 3.49Å; E173-K175 WeakPolarHBondContact O-CG 3.38Å; E173-K175 PolarHBondContact O-N 2.92Å; K175-G177 VanDerWaalsContact C-N 3.34Å
176E98.2Very high97.8Very high1 Ų143.3 Ų43.31%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-85.4-14-175.7-157.359.1-126.400112.5L77 T78 Y81 I144 A145 L167 G169 N170 Q171L77-E176 WeakPolarHBondContact CA-O 3.31Å; T78-E176 PolarHBondContact N-O 2.97Å; T78-E176 PolarHBondContact OG1-O 3.41Å; Y81-E176 VanDerWaalsContact CE2-OE1 3.32Å; Y81-E176 WeakPolarHBondContact CE2-OE1 3.41Å; Y81-E176 VanDerWaalsContact CZ-OE1 3.3Å; Y81-E176 PolarHBondContact OH-OE1 3.41Å; Y81-E176 PolarHBondContact OH-OE2 2.87Å; Y81-E176 VanDerWaalsContact OH-OE2 3.12Å; I144-E176 VanDerWaalsContact O-CG 3.29Å; I144-E176 WeakPolarHBondContact O-CG 3.31Å; A145-E176 HydrophobicContact CB-CB 4.23Å; A145-E176 HydrophobicContact CB-CG 3.57Å; L167-E176 HydrophobicContact CB-CB 3.98Å; L167-E176 WeakPolarHBondContact O-CB 3.29Å; L167-E176 PolarHBondContact O-N 2.71Å; G169-E176 VanDerWaalsContact C-OE2 3.28Å; G169-E176 VanDerWaalsContact CA-OE2 3.29Å; G169-E176 WeakPolarHBondContact CA-OE2 3.42Å; N170-E176 PolarHBondContact N-OE2 3.33Å; Q171-E176 WeakPolarHBondContact CB-OE2 3.5Å; Q171-E176 WeakPolarHBondContact CG-OE2 3.39Å; Q171-E176 PolarHBondContact N-OE2 3.32Å
177G98.3Very high97.3Very high11 Ų1145.4 Ų45.411%0.11326%0.257CS..EExtended strand (participates in β ladder)trans136-157.2-17800000111.7N76 L167 K175N76-G177 CarbonylContact O-C 3.56Å; N76-G177 WeakPolarHBondContact O-CA 3.49Å; L167-G177 PolarHBondContact N-O 3.17Å; K175-G177 VanDerWaalsContact C-N 3.34Å
178M98.6Very high96.4Very high82 Ų8247.7 Ų47.740%0.40427%0.269SS..EExtended strand (participates in β ladder)trans-134.5150.8172.5-56.2-169.8-63.700111A75 N76 W164 Y165A75-M178 CarbonylContact C-O 3.49Å; A75-M178 WeakPolarHBondContact CA-O 3.32Å; N76-M178 PolarHBondContact N-O 3.37Å; N76-M178 PolarHBondContact O-N 2.87Å; W164-M178 HydrophobicContact CB-CB 4.46Å; W164-M178 HydrophobicContact CB-SD 4.35Å; W164-M178 HydrophobicContact CE3-CB 3.63Å; W164-M178 HydrophobicContact CZ3-CB 4.31Å; Y165-M178 CarbonylContact O-C 3.55Å; Y165-M178 WeakPolarHBondContact O-CA 3.31Å
179V98.8Very high95Very high0 Ų050.6 Ų50.60%029%0.294CS..EExtended strand (participates in β ladder)trans-118.2137.8172.861.60000109.7A75 L130 W164 Y165 L167 L181A75-V179 HydrophobicContact CB-CB 4.39Å; A75-V179 HydrophobicContact CB-CG2 4.4Å; L130-V179 HydrophobicContact CD1-CG2 4.3Å; L130-V179 HydrophobicContact CD2-CG1 4.36Å; W164-V179 CarbonylContact C-O 3.52Å; W164-V179 WeakPolarHBondContact CA-O 3.07Å; Y165-V179 PolarHBondContact N-O 2.93Å; Y165-V179 PolarHBondContact O-N 3.4Å; L167-V179 HydrophobicContact CD1-CB 4.12Å; L167-V179 HydrophobicContact CD2-CB 4.09Å; L167-V179 HydrophobicContact CD2-CG1 3.78Å; L167-V179 HydrophobicContact CG-CB 4.21Å; L167-V179 HydrophobicContact CG-CG1 4.16Å; V179-L181 HydrophobicContact CG1-CG 4.32Å; V179-L181 HydrophobicContact CG2-CD2 3.95Å; V179-L181 HydrophobicContact CG2-CG 4.3Å
180N98.8Very high93.3Very high10 Ų1055.6 Ų55.65%0.05331%0.314CS..EExtended strand (participates in β ladder)trans-94.4121.5175.4179.1-131.4000110.1A73 Q74 D162 E163 W164A73-N180 HydrophobicContact CB-CB 4.36Å; A73-N180 WeakPolarHBondContact CB-OD1 3.29Å; A73-N180 PolarHBondContact N-O 2.9Å; Q74-N180 HydrophobicContact CG-CB 3.88Å; Q74-N180 PolarHBondContact O-N 3.33Å; D162-N180 PolarHBondContact OD1-ND2 2.9Å; E163-N180 WeakPolarHBondContact O-CA 3.38Å; E163-N180 PolarHBondContact O-ND2 3.45Å; E163-N180 VanDerWaalsContact O-ND2 3.14Å; W164-N180 HydrophobicContact CD2-CB 3.76Å; W164-N180 HydrophobicContact CE3-CB 3.82Å; W164-N180 HydrophobicContact CG-CB 4.44Å; W164-N180 HydrophobicContact CH2-CB 3.87Å; W164-N180 HydrophobicContact CZ2-CB 3.76Å; W164-N180 HydrophobicContact CZ3-CB 3.88Å
181L98.7Very high91.4Very high0 Ų055 Ų550%032%0.316CS..EExtended strand (participates in β ladder)trans-126.2140.8179.1-58.8-178.9000110.8T71 M72 L130 I149 E163 Y165 V179 F183T71-L181 WeakPolarHBondContact O-CA 3.18Å; M72-L181 HydrophobicContact CB-CD2 4.22Å; M72-L181 HydrophobicContact CG-CD2 3.76Å; L130-L181 HydrophobicContact CD1-CD1 4.11Å; L130-L181 HydrophobicContact CD1-CD2 3.81Å; I149-L181 HydrophobicContact CD1-CD1 3.33Å; E163-L181 PolarHBondContact N-O 2.93Å; E163-L181 VanDerWaalsContact N-O 3.08Å; E163-L181 PolarHBondContact O-N 3.39Å; Y165-L181 HydrophobicContact CD2-CB 4.02Å; Y165-L181 HydrophobicContact CD2-CD1 4.09Å; Y165-L181 HydrophobicContact CD2-CG 4.12Å; Y165-L181 HydrophobicContact CE2-CB 3.9Å; Y165-L181 HydrophobicContact CE2-CD1 4.42Å; Y165-L181 HydrophobicContact CE2-CG 4.46Å; V179-L181 HydrophobicContact CG1-CG 4.32Å; V179-L181 HydrophobicContact CG2-CD2 3.95Å; V179-L181 HydrophobicContact CG2-CG 4.3Å; L181-F183 HydrophobicContact CB-CD2 4.19Å; L181-F183 HydrophobicContact CB-CE2 3.6Å; L181-F183 HydrophobicContact CB-CZ 4.17Å; L181-F183 HydrophobicContact CD1-CE2 3.79Å; L181-F183 HydrophobicContact CD1-CZ 3.68Å; L181-F183 HydrophobicContact CG-CE2 4.38Å
182I98.7Very high89.4Confident44 Ų4459.5 Ų59.523%0.22634%0.338CS..EExtended strand (participates in β ladder)trans-113.1121.9173.6-49.9163.2000108.2V70 T71 T160 I161 D162V70-I182 CarbonylContact C-O 3.55Å; V70-I182 WeakPolarHBondContact CA-O 3.32Å; T71-I182 HydrophobicContact CG2-CD1 4.25Å; T71-I182 PolarHBondContact N-O 2.81Å; T71-I182 PolarHBondContact O-N 2.85Å; T160-I182 HydrophobicContact CG2-CG2 3.54Å; I161-I182 CarbonylContact O-C 3.5Å; I161-I182 VanDerWaalsContact O-CA 3.23Å; I161-I182 WeakPolarHBondContact O-CA 3.37Å; D162-I182 HydrophobicContact CB-CG1 4.04Å; D162-I182 HydrophobicContact CB-CG2 4.44Å
183F98.6Very high87.3Confident0 Ų064.7 Ų64.70%036%0.357CS..EExtended strand (participates in β ladder)trans-113.4137.4179.4-68.4-85000111L68 N69 V70 V128 I149 L151 P152 I155 T160 I161 Y165 L181L68-F183 HydrophobicContact CD1-CD1 4.28Å; N69-F183 WeakPolarHBondContact O-CA 3.3Å; V70-F183 HydrophobicContact CB-CD1 4.29Å; V70-F183 HydrophobicContact CB-CE1 4.22Å; V70-F183 HydrophobicContact CG1-CD1 3.89Å; V70-F183 HydrophobicContact CG1-CE1 3.53Å; V70-F183 HydrophobicContact CG1-CZ 3.99Å; V70-F183 HydrophobicContact CG2-CD1 3.67Å; V70-F183 HydrophobicContact CG2-CE1 3.66Å; V128-F183 HydrophobicContact CG2-CE1 3.94Å; V128-F183 HydrophobicContact CG2-CZ 3.84Å; I149-F183 HydrophobicContact CG2-CE2 4.2Å; I149-F183 HydrophobicContact CG2-CZ 4.11Å; L151-F183 HydrophobicContact CD2-CD1 3.99Å; L151-F183 HydrophobicContact CD2-CE1 3.92Å; P152-F183 HydrophobicContact CG-CD2 4.26Å; I155-F183 HydrophobicContact CG2-CB 3.87Å; T160-F183 CarbonylContact C-O 3.55Å; T160-F183 WeakPolarHBondContact CA-O 3.29Å; I161-F183 PolarHBondContact N-O 3.18Å; I161-F183 PolarHBondContact O-N 3.43Å; Y165-F183 HydrophobicContact CE2-CD2 4.36Å; Y165-F183 AromaticContact CE2-CE2 3.8Å; Y165-F183 HydrophobicContact CE2-CE2 3.8Å; Y165-F183 AromaticContact CZ-CE2 3.86Å; L181-F183 HydrophobicContact CB-CD2 4.19Å; L181-F183 HydrophobicContact CB-CE2 3.6Å; L181-F183 HydrophobicContact CB-CZ 4.17Å; L181-F183 HydrophobicContact CD1-CE2 3.79Å; L181-F183 HydrophobicContact CD1-CZ 3.68Å; L181-F183 HydrophobicContact CG-CE2 4.38Å
184S98.1Very high84.9Confident22 Ų2259 Ų5915%0.15435%0.345CS..EExtended strand (participates in β ladder)trans-146.2158.3163.270.10000110.7N69N69-S184 WeakPolarHBondContact CB-OG 3.22Å; N69-S184 PolarHBondContact N-O 2.91Å; N69-S184 PolarHBondContact ND2-OG 2.78Å; N69-S184 VanDerWaalsContact ND2-OG 3.1Å; N69-S184 PolarHBondContact O-N 3.04Å
185L97.2Very high82.6Confident16 Ų1665.3 Ų65.38%0.08436%0.364CS..EExtended strand (participates in β ladder)trans-129.2113.9178.3-172.377.8000109.9R67 L68 L121 I155 F156R67-L185 WeakPolarHBondContact O-CA 3.36Å; L68-L185 HydrophobicContact CB-CD1 4Å; L68-L185 HydrophobicContact CD1-CD1 4.35Å; L121-L185 HydrophobicContact CB-CD1 4.14Å; L121-L185 HydrophobicContact CD2-CD1 3.85Å; I155-L185 HydrophobicContact CB-CB 4.21Å; I155-L185 HydrophobicContact CG1-CB 4.07Å; I155-L185 WeakPolarHBondContact O-CB 3.27Å; F156-L185 HydrophobicContact CD1-CD2 3.44Å; F156-L185 VanDerWaalsContact CD1-CD2 3.44Å; F156-L185 HydrophobicContact CE1-CD2 3.81Å; F156-L185 HydrophobicContact CG-CD2 4.32Å
186D94.1Very high80.2Confident53 Ų5367.2 Ų67.228%0.28338%0.38SS..EExtended strand (participates in β ladder)trans-84.8136.2174.1-55.3-45.7000110.1G66 R67 N69G66-D186 WeakPolarHBondContact CA-O 3.49Å; R67-D186 HydrophobicContact CB-CB 4.32Å; R67-D186 IonicContact CZ-OD2 3.03Å; R67-D186 VanDerWaalsContact CZ-OD2 3.31Å; R67-D186 PolarHBondContact N-O 3.07Å; R67-D186 IonicContact NE-OD2 2.65Å; R67-D186 PolarHBondContact NE-OD2 2.88Å; R67-D186 VanDerWaalsContact NE-OD2 3.08Å; R67-D186 IonicContact NH2-OD2 3.28Å; R67-D186 PolarHBondContact NH2-OD2 3.32Å; R67-D186 PolarHBondContact O-N 3.47Å; N69-D186 PolarHBondContact ND2-OD2 3Å
187P87.4Confident77.9Confident117 Ų11772.1 Ų72.176%0.7641%0.41SS*.  trans-65.5143.1174.327.8-33.9000110.7A189P187-A189 PolarHBondContact O-N 3.12Å
188I80.8Confident75.2Confident49 Ų4976.8 Ų76.825%0.25144%0.441SS..  trans-84.3108171.5-65.7153.1000108L60 T64 Y120 I190L60-I188 HydrophobicContact CD1-CD1 3.78Å; L60-I188 HydrophobicContact CD1-CG1 4.36Å; L60-I188 HydrophobicContact CD1-CG2 4.21Å; L60-I188 HydrophobicContact CD2-CG2 3.81Å; T64-I188 HydrophobicContact CG2-CD1 3.23Å; Y120-I188 HydrophobicContact CD1-CD1 4.41Å; I188-I190 HydrophobicContact CG2-CG1 4.3Å; I188-I190 PolarHBondContact O-N 2.81Å
189A68.4Low72.8Confident70 Ų7078.5 Ų78.558%0.57946%0.461SS*.  trans-69.9100.2167.100000108.5P187 P191P187-A189 PolarHBondContact O-N 3.12Å; A189-P191 VanDerWaalsContact O-CD 3.26Å; A189-P191 WeakPolarHBondContact O-CD 3.47Å
190I62.3Low70.4Confident125 Ų12587 Ų8764%0.64151%0.505SS*.  trans-73.8114.6163.3-56173.1000105.4I188 Q192I188-I190 HydrophobicContact CG2-CG1 4.3Å; I188-I190 PolarHBondContact O-N 2.81Å; I190-Q192 PolarHBondContact O-N 2.85Å
191P55.9Low68.1Low94 Ų9495 Ų9561%0.6154%0.542SS*.  trans-59.8111.8171.123.6-29.7000107.2A189 I193A189-P191 VanDerWaalsContact O-CD 3.26Å; A189-P191 WeakPolarHBondContact O-CD 3.47Å; P191-I193 PolarHBondContact O-N 3.19Å
192Q53.2Low65.7Low180 Ų180104 Ų10484%0.84158%0.584SS**  trans-64108.3172.9-61.5-110.3-39.900105.8I190 G194I190-Q192 PolarHBondContact O-N 2.85Å; Q192-G194 PolarHBondContact O-N 2.8Å
193I53Low63.1Low137 Ų137110.2 Ų110.270%0.70361%0.612SS**  trans-67.788.1167.1-60.7175.7000105.1F56 P191 H195F56-I193 HydrophobicContact CE2-CD1 4.37Å; F56-I193 HydrophobicContact CZ-CD1 4.1Å; P191-I193 PolarHBondContact O-N 3.19Å; I193-H195 PolarHBondContact O-N 2.78Å
194G47.8Very low60.5Low53 Ų53116.6 Ų116.655%0.54665%0.651SS.*  trans-55123.8172.600000108.3Q192 L196Q192-G194 PolarHBondContact O-N 2.8Å; G194-L196 PolarHBondContact O-N 2.84Å
195H49.3Very low58Low168 Ų168125 Ų12578%0.77869%0.686SS**  trans-44.1101.5175.2-65.5-81.6000111.5I193 T197I193-H195 PolarHBondContact O-N 2.78Å; H195-T197 HydrophobicContact CB-CG2 4.07Å; H195-T197 PolarHBondContact O-N 2.81Å
196L48.3Very low55.8Low180 Ų180128.5 Ų128.594%0.94272%0.717SS**  trans-75.466.2160.1-70.2174000108.1G194G194-L196 PolarHBondContact O-N 2.84Å
197T49.9Very low53.2Low103 Ų103132.3 Ų132.363%0.63275%0.745SS**  trans-95.195.3170.759.40000109H195H195-T197 HydrophobicContact CB-CG2 4.07Å; H195-T197 PolarHBondContact O-N 2.81Å
198S42.2Very low51.4Low110 Ų110131.8 Ų131.877%0.76974%0.744SS**  trans53.399.9138.454.50000118.8
199S47.3Very low49.5Very low117 Ų117136.8 Ų136.882%0.81878%0.777SS**  trans-12466.3145.366.80000110.3Q201S199-Q201 PolarHBondContact O-N 2.83Å
200L49.1Very low48.2Very low179 Ų179136.9 Ų136.994%0.93779%0.785SS**  trans-82.176155.2-85.8165.2000107.1Q202L200-Q202 PolarHBondContact O-N 3.39Å
201Q50.1Low47.1Very low177 Ų177138.2 Ų138.283%0.82779%0.793SS**  trans-68.8122.2166-91-179.3-4.500108.6S199 Q203S199-Q201 PolarHBondContact O-N 2.83Å; Q201-Q203 PolarHBondContact O-N 2.96Å; Q201-Q203 VanDerWaalsContact O-N 3.17Å
202Q48.1Very low46.4Very low189 Ų189141.7 Ų141.788%0.88381%0.807SS**  trans-43.4114.2167.4-102.5162.5-7.400111L200 T204L200-Q202 PolarHBondContact O-N 3.39Å; Q202-T204 PolarHBondContact O-N 3.42Å
203Q43.8Very low46Very low175 Ų175139.5 Ų139.582%0.81881%0.805SS**  trans-77.3100.7169.2-73.7-179.2-700109.2Q201Q201-Q203 PolarHBondContact O-N 2.96Å; Q201-Q203 VanDerWaalsContact O-N 3.17Å
204T45.2Very low45.2Very low134 Ų134140.2 Ų140.282%0.82281%0.811SS**  trans-91.5118.4158.945.40000108.9Q202 A206Q202-T204 PolarHBondContact O-N 3.42Å; T204-A206 PolarHBondContact O-N 2.97Å
205F44.5Very low45Very low199 Ų199147.2 Ų147.287%0.87383%0.829SS**  trans-63.3121.6-178.9-77.3-102.7000112.2
206A52.2Low44.6Very low90 Ų90143.5 Ų143.574%0.74483%0.828SS**  trans-148131.8156.700000109.3T204T204-A206 PolarHBondContact O-N 2.97Å
207P39.4Very low44.1Very low133 Ų133140 Ų14086%0.86483%0.825SS**  trans-94.8123-179.534.1-26.6000110.1
208S48.8Very low43.7Very low106 Ų106141 Ų14174%0.74183%0.83SS**  trans-156.9100.5157.960.50000111
209T41.1Very low43.8Very low153 Ų153139.3 Ų139.394%0.93983%0.831SS**  23.1113.6130-18.90000117.2
210G40.1Very low43.8Very low73 Ų73143.1 Ų143.175%0.75384%0.836SS**  trans158.810016300000113.3N212G210-N212 PolarHBondContact O-N 3.23Å
211N39.4Very low44.1Very low153 Ų153139 Ų13982%0.81881%0.814SS**  trans-35.9129.7169.1-67.2-17.2000112.9
212N42.6Very low44.7Very low167 Ų167135 Ų13589%0.89380%0.804SS**  trans-156.2143.1134.5-100-56.5000111.5G210G210-N212 PolarHBondContact O-N 3.23Å
213V43.1Very low45.9Very low134 Ų134127.4 Ų127.481%0.81277%0.768SS**  trans-82.6140.5-159.1177.10000110.4
214N37.5Very low47.6Very low152 Ų152122.8 Ų122.881%0.81375%0.752SS**  trans-39.8131.7169.2-68.7-32.1000113.6
215Q43.7Very low49.4Very low199 Ų199121.8 Ų121.893%0.9374%0.738SS**  trans-136.197.2146.9-106.8174.256.300108A217Q215-A217 PolarHBondContact O-N 3.48Å
216A39.8Very low51.2Low91 Ų91115.3 Ų115.375%0.75272%0.721SS**  trans-73.1117.8168.500000107.8T218A216-T218 PolarHBondContact O-N 2.91Å; A216-T218 VanDerWaalsContact O-N 3.09Å
217A38.3Very low52.7Low107 Ų107111.7 Ų111.788%0.88469%0.689SS**  trans-70.499.7172.300000108.8Q215Q215-A217 PolarHBondContact O-N 3.48Å
218T41.3Very low55Low122 Ų122105.4 Ų105.475%0.74865%0.648SS**PPolyproline II helixtrans-71.2129.216841.30000108.8A216 Q220A216-T218 PolarHBondContact O-N 2.91Å; A216-T218 VanDerWaalsContact O-N 3.09Å; T218-Q220 PolarHBondContact O-N 2.98Å; T218-Q220 VanDerWaalsContact O-N 3.16Å
219G44.3Very low56.8Low76 Ų76103.6 Ų103.678%0.78463%0.63SS**PPolyproline II helixtrans-55.5119.7173.800000110L221G219-L221 PolarHBondContact O-N 3.35Å
220Q47.6Very low59Low196 Ų196101.1 Ų101.192%0.91661%0.608SS**PPolyproline II helixtrans-69.8116.1-178.3-73.4179.8-66.800109.8T218T218-Q220 PolarHBondContact O-N 2.98Å; T218-Q220 VanDerWaalsContact O-N 3.16Å
221L55.4Low61.2Low92 Ų9298 Ų9848%0.48257%0.574SS.*PPolyproline II helixtrans-55.2140.3162.2-75.9143.9000108.9G219 F223 E248G219-L221 PolarHBondContact O-N 3.35Å; L221-F223 HydrophobicContact CB-CD1 4.22Å; L221-F223 HydrophobicContact CB-CE1 4.05Å; L221-F223 HydrophobicContact CB-CZ 4.45Å; L221-F223 HydrophobicContact CD2-CE1 3.66Å; L221-F223 HydrophobicContact CD2-CZ 4.02Å; L221-F223 HydrophobicContact CG-CE1 4.38Å; L221-F223 PolarHBondContact O-N 3.06Å; L221-E248 HydrophobicContact CD2-CG 4.29Å
222P63.5Low63.6Low94 Ų9493.4 Ų93.461%0.6155%0.547SS*.SBendtrans-7216.7-177.929.3-34.7000114.4
223F71.4Confident65.7Low29 Ų2993.3 Ų93.313%0.12754%0.542CS..SBendtrans-141.5152.4176.962.8-88.6000110.4L221 D227 V228 A244 L247 E248L221-F223 HydrophobicContact CB-CD1 4.22Å; L221-F223 HydrophobicContact CB-CE1 4.05Å; L221-F223 HydrophobicContact CB-CZ 4.45Å; L221-F223 HydrophobicContact CD2-CE1 3.66Å; L221-F223 HydrophobicContact CD2-CZ 4.02Å; L221-F223 HydrophobicContact CG-CE1 4.38Å; L221-F223 PolarHBondContact O-N 3.06Å; F223-D227 VanDerWaalsContact CA-OD2 3.3Å; F223-D227 WeakPolarHBondContact CA-OD2 3.47Å; F223-D227 HydrophobicContact CB-CB 4.4Å; F223-D227 WeakPolarHBondContact CB-OD2 3.39Å; F223-V228 HydrophobicContact CD2-CG2 3.99Å; F223-V228 HydrophobicContact CE2-CG2 3.92Å; F223-A244 HydrophobicContact CE2-CB 4.45Å; F223-L247 HydrophobicContact CB-CD2 3.69Å; F223-L247 HydrophobicContact CD1-CB 4.19Å; F223-L247 HydrophobicContact CD1-CD2 4.17Å; F223-L247 HydrophobicContact CD2-CB 4.33Å; F223-L247 HydrophobicContact CD2-CD1 4.28Å; F223-L247 HydrophobicContact CD2-CD2 4.36Å; F223-L247 HydrophobicContact CE1-CB 4.17Å; F223-L247 HydrophobicContact CE2-CB 4.31Å; F223-L247 HydrophobicContact CG-CB 4.27Å; F223-L247 HydrophobicContact CG-CD2 3.84Å; F223-L247 HydrophobicContact CG-CG 4.47Å; F223-L247 HydrophobicContact CZ-CB 4.22Å; F223-E248 HydrophobicContact CE1-CB 4.13Å; F223-E248 HydrophobicContact CZ-CB 4.4Å
224T80.6Confident67.7Low78 Ų7892 Ų9248%0.47953%0.528SS..  trans-100.4160.2179.8750000111.1A226 D227 V228T224-A226 PolarHBondContact O-N 2.92Å; T224-A226 WeakPolarHBondContact OG1-CB 3.34Å; T224-A226 PolarHBondContact OG1-N 3.43Å; T224-D227 PolarHBondContact N-OD2 3.17Å; T224-D227 VanDerWaalsContact O-CB 3.27Å; T224-D227 WeakPolarHBondContact O-CB 3.47Å; T224-D227 PolarHBondContact O-N 2.87Å; T224-D227 PolarHBondContact OG1-N 3.11Å; T224-D227 PolarHBondContact OG1-OD1 3.48Å; T224-V228 PolarHBondContact O-N 3.33Å
225Q82.6Confident70Confident113 Ų11385.7 Ų85.753%0.52849%0.494SS..Hα-helixtrans-58.2-26.9171-173.662.843.800111.8D227 V228 N229Q225-D227 PolarHBondContact O-N 3.34Å; Q225-V228 PolarHBondContact O-N 2.88Å; Q225-N229 PolarHBondContact NE2-OD1 2.94Å; Q225-N229 PolarHBondContact O-N 3.15Å; Q225-N229 PolarHBondContact O-OD1 3.38Å
226A83.4Confident72.1Confident63 Ų6381 Ų8152%0.52148%0.48SS..Hα-helixtrans-63.5-33.317400000111.9T224 N229 E230T224-A226 PolarHBondContact O-N 2.92Å; T224-A226 WeakPolarHBondContact OG1-CB 3.34Å; T224-A226 PolarHBondContact OG1-N 3.43Å; A226-N229 PolarHBondContact O-N 3.32Å; A226-E230 WeakPolarHBondContact O-CB 3.4Å; A226-E230 PolarHBondContact O-N 3.24Å
227D83.6Confident74.2Confident15 Ų1581.7 Ų81.78%0.0848%0.475CS..Hα-helixtrans-69.4-38.4178.4-50.1-7.9000111F223 T224 Q225 L231 R254F223-D227 VanDerWaalsContact CA-OD2 3.3Å; F223-D227 WeakPolarHBondContact CA-OD2 3.47Å; F223-D227 HydrophobicContact CB-CB 4.4Å; F223-D227 WeakPolarHBondContact CB-OD2 3.39Å; T224-D227 PolarHBondContact N-OD2 3.17Å; T224-D227 VanDerWaalsContact O-CB 3.27Å; T224-D227 WeakPolarHBondContact O-CB 3.47Å; T224-D227 PolarHBondContact O-N 2.87Å; T224-D227 PolarHBondContact OG1-N 3.11Å; T224-D227 PolarHBondContact OG1-OD1 3.48Å; Q225-D227 PolarHBondContact O-N 3.34Å; D227-L231 WeakPolarHBondContact O-CG 3.39Å; D227-L231 PolarHBondContact O-N 2.88Å; D227-R254 IonicContact OD1-CZ 3.57Å; D227-R254 IonicContact OD1-NH2 2.64Å; D227-R254 PolarHBondContact OD1-NH2 2.92Å; D227-R254 IonicContact OD2-NE 3.98Å; D227-R254 IonicContact OD2-NH2 3.62Å
228V87.1Confident76.4Confident1 Ų177.5 Ų77.51%0.00644%0.438CS..Hα-helixtrans-65-45.1174.8179.10000110F223 T224 Q225 L231 H232 E240 I243 A244 L247F223-V228 HydrophobicContact CD2-CG2 3.99Å; F223-V228 HydrophobicContact CE2-CG2 3.92Å; T224-V228 PolarHBondContact O-N 3.33Å; Q225-V228 PolarHBondContact O-N 2.88Å; V228-L231 PolarHBondContact O-N 3.02Å; V228-H232 WeakPolarHBondContact O-CB 3.18Å; V228-H232 PolarHBondContact O-N 3.01Å; V228-E240 HydrophobicContact CG1-CB 4.01Å; V228-E240 HydrophobicContact CG1-CG 4.39Å; V228-I243 HydrophobicContact CG1-CB 4.32Å; V228-I243 HydrophobicContact CG1-CG2 4.03Å; V228-A244 HydrophobicContact CG2-CB 4.25Å; V228-L247 HydrophobicContact CG2-CD1 4.09Å
229N87Confident78.6Confident68 Ų6877.2 Ų77.236%0.36443%0.432SS..Hα-helixtrans-64.4-41.3179.3-65.53.9000112.1Q225 A226 L231 H232 E233Q225-N229 PolarHBondContact NE2-OD1 2.94Å; Q225-N229 PolarHBondContact O-N 3.15Å; Q225-N229 PolarHBondContact O-OD1 3.38Å; A226-N229 PolarHBondContact O-N 3.32Å; N229-L231 VanDerWaalsContact C-N 3.35Å; N229-L231 PolarHBondContact O-N 3.45Å; N229-H232 PolarHBondContact O-N 3.48Å; N229-E233 PolarHBondContact O-N 3.43Å
230E86.7Confident80.7Confident100 Ų10077.7 Ų77.747%0.46741%0.413SS..Hα-helixtrans-61.9-41.6177.2-172.2178.9-175.100111.6A226 E233 M234 R254A226-E230 WeakPolarHBondContact O-CB 3.4Å; A226-E230 PolarHBondContact O-N 3.24Å; E230-E233 PolarHBondContact O-N 2.98Å; E230-M234 PolarHBondContact O-N 3.48Å; E230-R254 IonicContact OE2-CZ 2.64Å; E230-R254 IonicContact OE2-NH1 2.78Å; E230-R254 PolarHBondContact OE2-NH1 2.88Å
231L86.6Confident82.6Confident7 Ų775 Ų754%0.03741%0.405CS..Hα-helixtrans-70.9-32.9175.4-71.3169.9000112.6D227 V228 N229 E233 M234 F235 I243 L247 T257 V258D227-L231 WeakPolarHBondContact O-CG 3.39Å; D227-L231 PolarHBondContact O-N 2.88Å; V228-L231 PolarHBondContact O-N 3.02Å; N229-L231 VanDerWaalsContact C-N 3.35Å; N229-L231 PolarHBondContact O-N 3.45Å; L231-E233 VanDerWaalsContact C-N 3.34Å; L231-M234 HydrophobicContact CD2-SD 4.28Å; L231-M234 WeakPolarHBondContact O-CB 3.38Å; L231-M234 PolarHBondContact O-N 3.07Å; L231-F235 WeakPolarHBondContact O-CD2 3.05Å; L231-F235 PolarHBondContact O-N 2.75Å; L231-I243 HydrophobicContact CB-CD1 4.38Å; L231-I243 HydrophobicContact CB-CG2 3.65Å; L231-I243 HydrophobicContact CD1-CG2 3.78Å; L231-I243 HydrophobicContact CG-CG2 4.41Å; L231-L247 HydrophobicContact CD1-CD1 3.38Å; L231-L247 HydrophobicContact CD1-CG 4.06Å; L231-T257 HydrophobicContact CD1-CG2 3.73Å; L231-V258 HydrophobicContact CD2-CG2 3.59Å
232H88.5Confident84.1Confident57 Ų5773.5 Ų73.526%0.26440%0.4SS..Hα-helixtrans-67.8-33.8175-174.6-95.1000111.8V228 N229 M234 F235 P236 I238 E240 I243V228-H232 WeakPolarHBondContact O-CB 3.18Å; V228-H232 PolarHBondContact O-N 3.01Å; N229-H232 PolarHBondContact O-N 3.48Å; H232-M234 VanDerWaalsContact C-N 3.26Å; H232-M234 PolarHBondContact O-N 3.11Å; H232-F235 CarbonylContact O-C 3.52Å; H232-F235 VanDerWaalsContact O-C 3.26Å; H232-F235 PolarHBondContact O-N 3.11Å; H232-P236 WeakPolarHBondContact O-CA 3.43Å; H232-I238 PolarHBondContact CD2-O 2.82Å; H232-E240 HydrophobicContact CB-CG 4.29Å; H232-I243 HydrophobicContact CB-CD1 3.78Å
233E88.4Confident85.2Confident165 Ų16569 Ų6977%0.77137%0.371SS*.Hα-helixtrans-62.9-32.6170.5-73.6-174.2176.200112.4N229 E230 L231N229-E233 PolarHBondContact O-N 3.43Å; E230-E233 PolarHBondContact O-N 2.98Å; L231-E233 VanDerWaalsContact C-N 3.34Å
234M84.5Confident86Confident108 Ų10869 Ų6953%0.53238%0.376SS..Hα-helixtrans-77.3-33.4175.9-63.9175.963.800112.9E230 L231 H232 P236 V258E230-M234 PolarHBondContact O-N 3.48Å; L231-M234 HydrophobicContact CD2-SD 4.28Å; L231-M234 WeakPolarHBondContact O-CB 3.38Å; L231-M234 PolarHBondContact O-N 3.07Å; H232-M234 VanDerWaalsContact C-N 3.26Å; H232-M234 PolarHBondContact O-N 3.11Å; M234-P236 VanDerWaalsContact C-CD 3.49Å; M234-P236 WeakPolarHBondContact O-CD 3.22Å; M234-V258 HydrophobicContact CE-CG1 4.36Å; M234-V258 HydrophobicContact CE-CG2 4.14Å
235F86.3Confident86.2Confident19 Ų1968.5 Ų68.58%0.08338%0.376CS..  trans-127.669-176.2-60.6-78.9000111.8L231 H232 T237 I238 V258 L261 L262L231-F235 WeakPolarHBondContact O-CD2 3.05Å; L231-F235 PolarHBondContact O-N 2.75Å; H232-F235 CarbonylContact O-C 3.52Å; H232-F235 VanDerWaalsContact O-C 3.26Å; H232-F235 PolarHBondContact O-N 3.11Å; F235-T237 PolarHBondContact O-N 3.11Å; F235-I238 HydrophobicContact CB-CB 4.27Å; F235-I238 HydrophobicContact CB-CD1 3.99Å; F235-I238 HydrophobicContact CB-CG1 4.15Å; F235-I238 HydrophobicContact CD1-CD1 4.37Å; F235-I238 HydrophobicContact CG-CD1 4.28Å; F235-I238 PolarHBondContact O-N 2.52Å; F235-V258 HydrophobicContact CE2-CG1 4.38Å; F235-V258 HydrophobicContact CZ-CG1 4.26Å; F235-L261 HydrophobicContact CD2-CB 4.09Å; F235-L261 HydrophobicContact CD2-CD1 3.74Å; F235-L261 HydrophobicContact CE1-CB 4.37Å; F235-L261 HydrophobicContact CE2-CB 3.94Å; F235-L261 HydrophobicContact CE2-CD1 3.99Å; F235-L261 HydrophobicContact CG-CB 4.38Å; F235-L261 HydrophobicContact CG-CD1 4.48Å; F235-L261 HydrophobicContact CZ-CB 4.08Å; F235-L262 HydrophobicContact CE1-CD2 3.82Å; F235-L262 HydrophobicContact CE1-CG 4.12Å; F235-L262 HydrophobicContact CZ-CD2 3.99Å; F235-L262 HydrophobicContact CZ-CG 3.91Å
236P86.2Confident86.4Confident99 Ų9963.7 Ų63.764%0.64335%0.354SS*.THydrogen-bonded Turntrans-66.5-6.5-175.925.6-34.2000114.3H232 M234H232-P236 WeakPolarHBondContact O-CA 3.43Å; M234-P236 VanDerWaalsContact C-CD 3.49Å; M234-P236 WeakPolarHBondContact O-CD 3.22Å
237T84.1Confident86.6Confident107 Ų10760.7 Ų60.766%0.65633%0.329SS*.THydrogen-bonded Turntrans-87.8-11.2173.851.70000113.6F235 N265F235-T237 PolarHBondContact O-N 3.11Å; T237-N265 PolarHBondContact OG1-ND2 2.91Å; T237-N265 VanDerWaalsContact OG1-ND2 3.15Å; T237-N265 PolarHBondContact OG1-OD1 3.2Å; T237-N265 VanDerWaalsContact OG1-OD1 3.07Å
238I84.3Confident86.6Confident18 Ų1865.9 Ų65.99%0.09235%0.353CS..SBendtrans-109129.8-176-58-178.5000109.3H232 F235 V242 I243 L261 N265H232-I238 PolarHBondContact CD2-O 2.82Å; F235-I238 HydrophobicContact CB-CB 4.27Å; F235-I238 HydrophobicContact CB-CD1 3.99Å; F235-I238 HydrophobicContact CB-CG1 4.15Å; F235-I238 HydrophobicContact CD1-CD1 4.37Å; F235-I238 HydrophobicContact CG-CD1 4.28Å; F235-I238 PolarHBondContact O-N 2.52Å; I238-V242 HydrophobicContact CG2-CB 3.79Å; I238-V242 HydrophobicContact CG2-CG1 3.82Å; I238-I243 HydrophobicContact CB-CG1 4.48Å; I238-I243 HydrophobicContact CG2-CD1 4.47Å; I238-I243 HydrophobicContact CG2-CG1 3.9Å; I238-L261 HydrophobicContact CD1-CB 4.07Å; I238-L261 HydrophobicContact CD1-CD2 3.75Å; I238-L261 HydrophobicContact CD1-CG 4.43Å; I238-L261 HydrophobicContact CG2-CD2 4.16Å; I238-N265 WeakPolarHBondContact CD1-ND2 3.31Å
239D89.2Confident86.5Confident117 Ų11772 Ų7263%0.62638%0.382SS*.  trans-63.5145.1178.8-65.1-50.2000112.8D241 V242 I243D239-D241 PolarHBondContact O-N 2.88Å; D239-V242 HydrophobicContact CB-CG2 4.32Å; D239-V242 WeakPolarHBondContact O-CB 3.16Å; D239-V242 PolarHBondContact O-N 2.86Å; D239-I243 PolarHBondContact O-N 2.99Å; D239-I243 VanDerWaalsContact O-N 3.17Å
240E88.2Confident86.4Confident85 Ų8572.2 Ų72.240%0.39738%0.379SS..Hα-helixtrans-55-34.9178.6-67.3-176.5-173.100113V228 H232 V242 I243 A244V228-E240 HydrophobicContact CG1-CB 4.01Å; V228-E240 HydrophobicContact CG1-CG 4.39Å; H232-E240 HydrophobicContact CB-CG 4.29Å; E240-V242 VanDerWaalsContact C-N 3.35Å; E240-V242 PolarHBondContact O-N 2.82Å; E240-I243 PolarHBondContact O-N 3.03Å; E240-A244 WeakPolarHBondContact O-CB 3.08Å; E240-A244 PolarHBondContact O-N 3.41Å
241D86.7Confident86.1Confident140 Ų14076.6 Ų76.675%0.74939%0.392SS*.Hα-helixtrans-65.2-37.2178.1-69.6-28.7000112.3D239 S245D239-D241 PolarHBondContact O-N 2.88Å; D241-S245 WeakPolarHBondContact O-CB 3.46Å; D241-S245 PolarHBondContact O-N 2.97Å
242V87.6Confident85.6Confident60 Ų6077.1 Ų77.136%0.36440%0.398SS..Hα-helixtrans-69.4-43.9176.8178.30000109.3I238 D239 E240 A244 S245 V246I238-V242 HydrophobicContact CG2-CB 3.79Å; I238-V242 HydrophobicContact CG2-CG1 3.82Å; D239-V242 HydrophobicContact CB-CG2 4.32Å; D239-V242 WeakPolarHBondContact O-CB 3.16Å; D239-V242 PolarHBondContact O-N 2.86Å; E240-V242 VanDerWaalsContact C-N 3.35Å; E240-V242 PolarHBondContact O-N 2.82Å; V242-A244 VanDerWaalsContact C-N 3.34Å; V242-A244 PolarHBondContact O-N 3.17Å; V242-S245 PolarHBondContact O-N 2.97Å; V242-V246 HydrophobicContact CG1-CG2 4.43Å; V242-V246 VanDerWaalsContact O-CG2 3.31Å; V242-V246 WeakPolarHBondContact O-CG2 3.15Å; V242-V246 PolarHBondContact O-N 3.33Å
243I87.1Confident85.4Confident0 Ų078 Ų780%041%0.405CS..Hα-helixtrans-58.5-47.1176.2-65.4173.8000110.4V228 L231 H232 I238 D239 E240 S245 V246 L247 L261V228-I243 HydrophobicContact CG1-CB 4.32Å; V228-I243 HydrophobicContact CG1-CG2 4.03Å; L231-I243 HydrophobicContact CB-CD1 4.38Å; L231-I243 HydrophobicContact CB-CG2 3.65Å; L231-I243 HydrophobicContact CD1-CG2 3.78Å; L231-I243 HydrophobicContact CG-CG2 4.41Å; H232-I243 HydrophobicContact CB-CD1 3.78Å; I238-I243 HydrophobicContact CB-CG1 4.48Å; I238-I243 HydrophobicContact CG2-CD1 4.47Å; I238-I243 HydrophobicContact CG2-CG1 3.9Å; D239-I243 PolarHBondContact O-N 2.99Å; D239-I243 VanDerWaalsContact O-N 3.17Å; E240-I243 PolarHBondContact O-N 3.03Å; I243-S245 PolarHBondContact O-N 3.41Å; I243-V246 PolarHBondContact O-N 2.6Å; I243-L247 HydrophobicContact CG2-CD1 4.07Å; I243-L247 WeakPolarHBondContact O-CB 3.35Å; I243-L247 PolarHBondContact O-N 2.65Å; I243-L261 HydrophobicContact CG1-CD1 4.18Å; I243-L261 HydrophobicContact CG1-CD2 4.27Å
244A86.7Confident85.2Confident28 Ų2874.7 Ų74.723%0.23139%0.386CS..Hα-helixtrans-61.6-41.7177.700000112.2F223 V228 E240 V242 L247 E248F223-A244 HydrophobicContact CE2-CB 4.45Å; V228-A244 HydrophobicContact CG2-CB 4.25Å; E240-A244 WeakPolarHBondContact O-CB 3.08Å; E240-A244 PolarHBondContact O-N 3.41Å; V242-A244 VanDerWaalsContact C-N 3.34Å; V242-A244 PolarHBondContact O-N 3.17Å; A244-L247 PolarHBondContact O-N 3.32Å; A244-E248 WeakPolarHBondContact O-CB 3.03Å; A244-E248 PolarHBondContact O-N 3.16Å
245S85.4Confident85.2Confident69 Ų6976 Ų7648%0.48339%0.391SS..Hα-helixtrans-63.9-43.3176.8-175.10000112.3D241 V242 I243 E248 E249D241-S245 WeakPolarHBondContact O-CB 3.46Å; D241-S245 PolarHBondContact O-N 2.97Å; V242-S245 PolarHBondContact O-N 2.97Å; I243-S245 PolarHBondContact O-N 3.41Å; S245-E248 PolarHBondContact O-N 3.36Å; S245-E249 WeakPolarHBondContact O-CB 3.21Å; S245-E249 PolarHBondContact O-N 2.98Å
246V86.9Confident85.2Confident12 Ų1276.6 Ų76.67%0.07340%0.399CS..Hα-helixtrans-68.2-38.9177179.50000110.7V242 I243 E248 E249 K250 T257 A260 L261 L264V242-V246 HydrophobicContact CG1-CG2 4.43Å; V242-V246 VanDerWaalsContact O-CG2 3.31Å; V242-V246 WeakPolarHBondContact O-CG2 3.15Å; V242-V246 PolarHBondContact O-N 3.33Å; I243-V246 PolarHBondContact O-N 2.6Å; V246-E248 VanDerWaalsContact C-N 3.34Å; V246-E249 PolarHBondContact O-N 3.19Å; V246-K250 HydrophobicContact CG1-CG 4.35Å; V246-K250 WeakPolarHBondContact O-CB 3.33Å; V246-K250 WeakPolarHBondContact O-CG 3.49Å; V246-K250 PolarHBondContact O-N 2.83Å; V246-T257 HydrophobicContact CB-CG2 4.25Å; V246-T257 HydrophobicContact CG1-CG2 3.8Å; V246-A260 HydrophobicContact CG1-CB 3.76Å; V246-L261 HydrophobicContact CG2-CD2 4.33Å; V246-L264 HydrophobicContact CG2-CD1 4.47Å
247L86.7Confident85.2Confident0 Ų071.9 Ų71.90%037%0.368CS..Hα-helixtrans-60.9-42173-108.3152.8000112.3F223 V228 L231 I243 A244 K250 R251 G252 T257F223-L247 HydrophobicContact CB-CD2 3.69Å; F223-L247 HydrophobicContact CD1-CB 4.19Å; F223-L247 HydrophobicContact CD1-CD2 4.17Å; F223-L247 HydrophobicContact CD2-CB 4.33Å; F223-L247 HydrophobicContact CD2-CD1 4.28Å; F223-L247 HydrophobicContact CD2-CD2 4.36Å; F223-L247 HydrophobicContact CE1-CB 4.17Å; F223-L247 HydrophobicContact CE2-CB 4.31Å; F223-L247 HydrophobicContact CG-CB 4.27Å; F223-L247 HydrophobicContact CG-CD2 3.84Å; F223-L247 HydrophobicContact CG-CG 4.47Å; F223-L247 HydrophobicContact CZ-CB 4.22Å; V228-L247 HydrophobicContact CG2-CD1 4.09Å; L231-L247 HydrophobicContact CD1-CD1 3.38Å; L231-L247 HydrophobicContact CD1-CG 4.06Å; I243-L247 HydrophobicContact CG2-CD1 4.07Å; I243-L247 WeakPolarHBondContact O-CB 3.35Å; I243-L247 PolarHBondContact O-N 2.65Å; A244-L247 PolarHBondContact O-N 3.32Å; L247-K250 CarbonylContact O-C 3.56Å; L247-K250 PolarHBondContact O-N 3.17Å; L247-R251 PolarHBondContact O-N 3.02Å; L247-G252 PolarHBondContact O-N 3.18Å; L247-T257 HydrophobicContact CG-CG2 4.18Å
248E84.6Confident85.4Confident123 Ų12368.3 Ų68.358%0.57535%0.346SS*.Hα-helixtrans-64.3-44.8175-173.2174.2-159.300111L221 F223 A244 S245 V246 K250 R251L221-E248 HydrophobicContact CD2-CG 4.29Å; F223-E248 HydrophobicContact CE1-CB 4.13Å; F223-E248 HydrophobicContact CZ-CB 4.4Å; A244-E248 WeakPolarHBondContact O-CB 3.03Å; A244-E248 PolarHBondContact O-N 3.16Å; S245-E248 PolarHBondContact O-N 3.36Å; V246-E248 VanDerWaalsContact C-N 3.34Å; E248-K250 VanDerWaalsContact C-N 3.32Å; E248-K250 PolarHBondContact O-N 3.21Å; E248-R251 PolarHBondContact O-N 3.12Å
249E84.4Confident85.5Confident130 Ų13072.3 Ų72.361%0.60737%0.368SS*.Hα-helixtrans-59.7-42.5175.8-165.1-155.8131.100111.7S245 V246 R251S245-E249 WeakPolarHBondContact O-CB 3.21Å; S245-E249 PolarHBondContact O-N 2.98Å; V246-E249 PolarHBondContact O-N 3.19Å; E249-R251 VanDerWaalsContact C-N 3.26Å; E249-R251 PolarHBondContact O-N 2.99Å
250K84.8Confident85.3Confident72 Ų7267.9 Ų67.931%0.31335%0.347SS..THydrogen-bonded Turntrans-86.49.7177.5-57.4-46.8-177.9-153.60113.5V246 L247 E248 G252 N253 A256V246-K250 HydrophobicContact CG1-CG 4.35Å; V246-K250 WeakPolarHBondContact O-CB 3.33Å; V246-K250 WeakPolarHBondContact O-CG 3.49Å; V246-K250 PolarHBondContact O-N 2.83Å; L247-K250 CarbonylContact O-C 3.56Å; L247-K250 PolarHBondContact O-N 3.17Å; E248-K250 VanDerWaalsContact C-N 3.32Å; E248-K250 PolarHBondContact O-N 3.21Å; K250-G252 VanDerWaalsContact C-N 3.3Å; K250-G252 PolarHBondContact O-N 3.17Å; K250-N253 HydrophobicContact CB-CB 4.36Å; K250-N253 VanDerWaalsContact O-CB 3.24Å; K250-N253 WeakPolarHBondContact O-CB 3.21Å; K250-N253 PolarHBondContact O-N 3.26Å; K250-N253 VanDerWaalsContact O-N 3.09Å; K250-A256 HydrophobicContact CB-CB 4.14Å; K250-A256 HydrophobicContact CD-CB 4.23Å; K250-A256 HydrophobicContact CG-CB 3.99Å
251R81Confident85.3Confident193 Ų19363.9 Ų63.973%0.72833%0.328SS*.THydrogen-bonded Turntrans5438.4176-57-175.2174.5-148.3-1.9114.4L247 E248 E249L247-R251 PolarHBondContact O-N 3.02Å; E248-R251 PolarHBondContact O-N 3.12Å; E249-R251 VanDerWaalsContact C-N 3.26Å; E249-R251 PolarHBondContact O-N 2.99Å
252G77Confident85.3Confident17 Ų1761.6 Ų61.618%0.17532%0.316CS..THydrogen-bonded Turntrans870.6-179.300000114.9L247 K250 R254L247-G252 PolarHBondContact O-N 3.18Å; K250-G252 VanDerWaalsContact C-N 3.3Å; K250-G252 PolarHBondContact O-N 3.17Å; G252-R254 PolarHBondContact O-N 3.28Å; G252-R254 VanDerWaalsContact O-N 3.16Å
253N83.1Confident85Confident77 Ų7762.7 Ų62.741%0.41233%0.326SS..  trans-76.4101.7178.9-174.2-41.8000111.1K250 E255 A256 T257K250-N253 HydrophobicContact CB-CB 4.36Å; K250-N253 VanDerWaalsContact O-CB 3.24Å; K250-N253 WeakPolarHBondContact O-CB 3.21Å; K250-N253 PolarHBondContact O-N 3.26Å; K250-N253 VanDerWaalsContact O-N 3.09Å; N253-E255 PolarHBondContact O-N 2.64Å; N253-E255 PolarHBondContact OD1-N 3.42Å; N253-E255 PolarHBondContact OD1-OE2 2.88Å; N253-A256 HydrophobicContact CB-CB 4.04Å; N253-A256 PolarHBondContact O-N 2.97Å; N253-A256 WeakPolarHBondContact OD1-CB 3.35Å; N253-A256 PolarHBondContact OD1-N 2.83Å; N253-T257 PolarHBondContact O-N 2.54Å; N253-T257 PolarHBondContact O-OG1 3.2Å; N253-T257 VanDerWaalsContact O-OG1 3.06Å
254R84.1Confident84.4Confident95 Ų9567.5 Ų67.536%0.35835%0.351SS..Hα-helixtrans-62.8-42.3-175.5-61.6-176.4-177.2-166.6-0.1112.5D227 E230 G252 T257 V258D227-R254 IonicContact OD1-CZ 3.57Å; D227-R254 IonicContact OD1-NH2 2.64Å; D227-R254 PolarHBondContact OD1-NH2 2.92Å; D227-R254 IonicContact OD2-NE 3.98Å; D227-R254 IonicContact OD2-NH2 3.62Å; E230-R254 IonicContact OE2-CZ 2.64Å; E230-R254 IonicContact OE2-NH1 2.78Å; E230-R254 PolarHBondContact OE2-NH1 2.88Å; G252-R254 PolarHBondContact O-N 3.28Å; G252-R254 VanDerWaalsContact O-N 3.16Å; R254-T257 WeakPolarHBondContact O-CB 3.17Å; R254-T257 PolarHBondContact O-N 2.8Å; R254-V258 WeakPolarHBondContact O-CG2 3.29Å; R254-V258 PolarHBondContact O-N 3.22Å
255E84.6Confident83.6Confident136 Ų13669.5 Ų69.564%0.63636%0.358SS*.Hα-helixtrans-65.5-41.6-179.3-65.279.8-175.300111.9N253 T257 V258 N259N253-E255 PolarHBondContact O-N 2.64Å; N253-E255 PolarHBondContact OD1-N 3.42Å; N253-E255 PolarHBondContact OD1-OE2 2.88Å; E255-T257 VanDerWaalsContact C-N 3.32Å; E255-V258 PolarHBondContact O-N 3.13Å; E255-N259 PolarHBondContact O-N 2.98Å; E255-N259 PolarHBondContact O-ND2 2.95Å
256A86Confident82.4Confident31 Ų3170.2 Ų70.226%0.25637%0.368SS..Hα-helixtrans-65.8-3717500000111.7K250 N253 A260K250-A256 HydrophobicContact CB-CB 4.14Å; K250-A256 HydrophobicContact CD-CB 4.23Å; K250-A256 HydrophobicContact CG-CB 3.99Å; N253-A256 HydrophobicContact CB-CB 4.04Å; N253-A256 PolarHBondContact O-N 2.97Å; N253-A256 WeakPolarHBondContact OD1-CB 3.35Å; N253-A256 PolarHBondContact OD1-N 2.83Å; A256-A260 PolarHBondContact O-N 3.47Å; A256-A260 VanDerWaalsContact O-N 3.11Å
257T87.2Confident80.5Confident0 Ų080.9 Ų80.90%042%0.418CS..Hα-helixtrans-64.3-45.5174.6-63.30000111.5L231 V246 L247 N253 R254 E255 N259 A260 L261L231-T257 HydrophobicContact CD1-CG2 3.73Å; V246-T257 HydrophobicContact CB-CG2 4.25Å; V246-T257 HydrophobicContact CG1-CG2 3.8Å; L247-T257 HydrophobicContact CG-CG2 4.18Å; N253-T257 PolarHBondContact O-N 2.54Å; N253-T257 PolarHBondContact O-OG1 3.2Å; N253-T257 VanDerWaalsContact O-OG1 3.06Å; R254-T257 WeakPolarHBondContact O-CB 3.17Å; R254-T257 PolarHBondContact O-N 2.8Å; E255-T257 VanDerWaalsContact C-N 3.32Å; T257-N259 VanDerWaalsContact C-N 3.34Å; T257-N259 PolarHBondContact O-N 3.41Å; T257-A260 PolarHBondContact O-N 3.21Å; T257-A260 VanDerWaalsContact O-N 3.15Å; T257-L261 HydrophobicContact CG2-CD1 3.77Å; T257-L261 HydrophobicContact CG2-CG 4.1Å; T257-L261 VanDerWaalsContact O-CG 3.29Å; T257-L261 WeakPolarHBondContact O-CG 3.3Å; T257-L261 PolarHBondContact O-N 3.15Å
258V87.1Confident80.1Confident31 Ų3185 Ų8519%0.18844%0.438CS..Hα-helixtrans-58.2-44.9177171.50000111.7L231 M234 F235 R254 E255 A260 L261 L262L231-V258 HydrophobicContact CD2-CG2 3.59Å; M234-V258 HydrophobicContact CE-CG1 4.36Å; M234-V258 HydrophobicContact CE-CG2 4.14Å; F235-V258 HydrophobicContact CE2-CG1 4.38Å; F235-V258 HydrophobicContact CZ-CG1 4.26Å; R254-V258 WeakPolarHBondContact O-CG2 3.29Å; R254-V258 PolarHBondContact O-N 3.22Å; E255-V258 PolarHBondContact O-N 3.13Å; V258-A260 VanDerWaalsContact C-N 3.32Å; V258-A260 PolarHBondContact O-N 3.21Å; V258-L261 PolarHBondContact O-N 3.07Å; V258-L262 HydrophobicContact CG1-CD1 4.03Å; V258-L262 HydrophobicContact CG1-CG 4.46Å; V258-L262 WeakPolarHBondContact O-CB 3.33Å; V258-L262 WeakPolarHBondContact O-CG 3.5Å; V258-L262 PolarHBondContact O-N 3.15Å
259N86.3Confident79.9Confident103 Ų10382.9 Ų82.955%0.55143%0.431SS*.Hα-helixtrans-64.2-36.1177.5-74.4-35.9000112.9E255 T257 S263E255-N259 PolarHBondContact O-N 2.98Å; E255-N259 PolarHBondContact O-ND2 2.95Å; T257-N259 VanDerWaalsContact C-N 3.34Å; T257-N259 PolarHBondContact O-N 3.41Å; N259-S263 PolarHBondContact O-N 3.24Å; N259-S263 PolarHBondContact O-OG 3.41Å
260A86.3Confident79.7Confident24 Ų2480.3 Ų80.320%0.19842%0.421CS..Hα-helixtrans-69.1-43.4174.900000111.7V246 A256 T257 V258 S263 L264V246-A260 HydrophobicContact CG1-CB 3.76Å; A256-A260 PolarHBondContact O-N 3.47Å; A256-A260 VanDerWaalsContact O-N 3.11Å; T257-A260 PolarHBondContact O-N 3.21Å; T257-A260 VanDerWaalsContact O-N 3.15Å; V258-A260 VanDerWaalsContact C-N 3.32Å; V258-A260 PolarHBondContact O-N 3.21Å; A260-S263 WeakPolarHBondContact O-CB 3.33Å; A260-S263 PolarHBondContact O-N 3.13Å; A260-S263 VanDerWaalsContact O-N 3.16Å; A260-L264 PolarHBondContact O-N 2.64Å
261L87.7Confident79.4Confident0 Ų080.8 Ų80.80%043%0.428CS..Hα-helixtrans-66-37.9178.1-67175.2000112.6F235 I238 I243 V246 T257 V258 S263 L264 N265F235-L261 HydrophobicContact CD2-CB 4.09Å; F235-L261 HydrophobicContact CD2-CD1 3.74Å; F235-L261 HydrophobicContact CE1-CB 4.37Å; F235-L261 HydrophobicContact CE2-CB 3.94Å; F235-L261 HydrophobicContact CE2-CD1 3.99Å; F235-L261 HydrophobicContact CG-CB 4.38Å; F235-L261 HydrophobicContact CG-CD1 4.48Å; F235-L261 HydrophobicContact CZ-CB 4.08Å; I238-L261 HydrophobicContact CD1-CB 4.07Å; I238-L261 HydrophobicContact CD1-CD2 3.75Å; I238-L261 HydrophobicContact CD1-CG 4.43Å; I238-L261 HydrophobicContact CG2-CD2 4.16Å; I243-L261 HydrophobicContact CG1-CD1 4.18Å; I243-L261 HydrophobicContact CG1-CD2 4.27Å; V246-L261 HydrophobicContact CG2-CD2 4.33Å; T257-L261 HydrophobicContact CG2-CD1 3.77Å; T257-L261 HydrophobicContact CG2-CG 4.1Å; T257-L261 VanDerWaalsContact O-CG 3.29Å; T257-L261 WeakPolarHBondContact O-CG 3.3Å; T257-L261 PolarHBondContact O-N 3.15Å; V258-L261 PolarHBondContact O-N 3.07Å; L261-S263 PolarHBondContact O-N 3.25Å; L261-L264 HydrophobicContact CD2-CD1 4.46Å; L261-L264 PolarHBondContact O-N 2.99Å; L261-N265 PolarHBondContact O-N 3.29Å
262L86.1Confident79.3Confident92 Ų9273.8 Ų73.848%0.48241%0.409SS..Hα-helixtrans-60.2-35.6172.3-77168.3000112.1F235 V258 L264 A266F235-L262 HydrophobicContact CE1-CD2 3.82Å; F235-L262 HydrophobicContact CE1-CG 4.12Å; F235-L262 HydrophobicContact CZ-CD2 3.99Å; F235-L262 HydrophobicContact CZ-CG 3.91Å; V258-L262 HydrophobicContact CG1-CD1 4.03Å; V258-L262 HydrophobicContact CG1-CG 4.46Å; V258-L262 WeakPolarHBondContact O-CB 3.33Å; V258-L262 WeakPolarHBondContact O-CG 3.5Å; V258-L262 PolarHBondContact O-N 3.15Å; L262-L264 VanDerWaalsContact C-N 3.35Å; L262-A266 PolarHBondContact O-N 3.26Å
263S81.4Confident79.4Confident83 Ų8377.6 Ų77.658%0.5843%0.425SS*.Hα-helixtrans-72.5-30.2179.3-53.80000112N259 A260 L261N259-S263 PolarHBondContact O-N 3.24Å; N259-S263 PolarHBondContact O-OG 3.41Å; A260-S263 WeakPolarHBondContact O-CB 3.33Å; A260-S263 PolarHBondContact O-N 3.13Å; A260-S263 VanDerWaalsContact O-N 3.16Å; L261-S263 PolarHBondContact O-N 3.25Å
264L75.1Confident79.1Confident101 Ų10177.6 Ų77.653%0.52943%0.426SS..Hα-helixtrans-78.8-25.6177.8-70169.8000113.6V246 A260 L261 L262V246-L264 HydrophobicContact CG2-CD1 4.47Å; A260-L264 PolarHBondContact O-N 2.64Å; L261-L264 HydrophobicContact CD2-CD1 4.46Å; L261-L264 PolarHBondContact O-N 2.99Å; L262-L264 VanDerWaalsContact C-N 3.35Å
265N69.1Low78.8Confident70 Ų7076.3 Ų76.337%0.37443%0.431SS..SBendtrans-91.6-1.7176.9-104.2-33.9000113.4T237 I238 L261T237-N265 PolarHBondContact OG1-ND2 2.91Å; T237-N265 VanDerWaalsContact OG1-ND2 3.15Å; T237-N265 PolarHBondContact OG1-OD1 3.2Å; T237-N265 VanDerWaalsContact OG1-OD1 3.07Å; I238-N265 WeakPolarHBondContact CD1-ND2 3.31Å; L261-N265 PolarHBondContact O-N 3.29Å
266A61.5Low78.3Confident85 Ų8571.3 Ų71.370%0.70241%0.414SS*.  trans-902179.700000113.7L262L262-A266 PolarHBondContact O-N 3.26Å
267E45.6Very low77.6Confident236 Ų23675 Ų75100%1.10343%0.428SS*.  trans-1060169.3-70.6-171.6151.700111.2

Retrieved 267 of 267 residues in 64.9 ms (Link to these results)