A0A077ZB87_TRITR Loading...

DNA-directed RNA polymerase I subunit H

Core component of RNA polymerase I (Pol I), a DNA-dependent RNA polymerase which synthesizes ribosomal RNA precursors using the four ribonucleoside triphosphates as substrates. Can mediate Pol I proofreading of the nascent RNA transcript. Anchors into the Pol I active site to monitor transcription fidelity and cleave mis-incorporated 5'-ribonucleotides.

AlphaFold DB , UniProt , Accession A0A077ZB87, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 362 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
1M35.8Very low29.2Very low236 Ų236176.1 Ų176.1100%1.16384%0.842SS**  0118.70-98.9177.7-17400108.5
2R28.6Very low29.3Very low207 Ų207168.2 Ų168.278%0.78184%0.841SS**  trans43.9126144.1-67.5-176.2179.5-169.12.4118
3R29.8Very low29.5Very low185 Ų185162.9 Ų162.970%0.69884%0.84SS**  cis-167.2140.820.7-101.1156.6-176-173.10.6109.7
4N27.3Very low29.4Very low160 Ų160162.5 Ų162.586%0.85684%0.838SS**  trans-81.1147.8159.5-96.9-12.1000110.6
5F31.1Very low29.8Very low193 Ų193159.3 Ų159.385%0.84684%0.836SS**  trans-152.7129.6150.7-76.5-82.2000104.3
6G30.1Very low29.8Very low69 Ų69158.3 Ų158.371%0.71183%0.831SS**  cis150.6123.113.600000105.8
7N27.2Very low30Very low142 Ų142158.4 Ų158.476%0.75983%0.833SS**  trans-61.4151.1-177.5-78.4-14.6000114.2
8W27.3Very low29.9Very low258 Ų258159.9 Ų159.998%0.97784%0.835SS**  trans-143.2118.8143.8-7597.9000110.4
9H26.8Very low30Very low156 Ų156161.5 Ų161.572%0.72284%0.837SS**  trans-91.6147.3168.3-95.9-93.4000109.6
10V31.8Very low30.1Very low145 Ų145158.7 Ų158.788%0.87984%0.839SS**  trans-139.9118.4151.1-178.60000108
11E25.8Very low30Very low186 Ų186158.9 Ų158.987%0.86984%0.84SS**  trans-82.9144.1166.3-74.1176.7147.500110
12G30.4Very low29.6Very low81 Ų81153.1 Ų153.184%0.83582%0.822SS**  trans-158.2130.5172.500000110.3
13A31.8Very low29.7Very low100 Ų100148.9 Ų148.983%0.82682%0.82SS**  trans-75.2143.7-158.200000117.7
14I28.4Very low29.8Very low157 Ų157143.9 Ų143.981%0.80582%0.818SS**  trans-1.9129.1145.5-47.8167.6000118.4
15S35Very low30.1Very low115 Ų115142 Ų14280%0.80481%0.807SS**  -154.7137.8124.869.80000110.9
16D29.5Very low30.1Very low143 Ų143139.1 Ų139.177%0.76581%0.805SS**  trans-54.8137.7-173-59.6-58.7000114.6
17D33.3Very low30.5Very low160 Ų160139.8 Ų139.886%0.85680%0.795SS**  trans-160.1144135.3-104.3-27.2000112.5
18Q29Very low30.8Very low186 Ų186136.9 Ų136.987%0.86978%0.784SS**  trans-59.1124.3-165.3-58.9177.3-3900113.8
19Q31.2Very low31Very low190 Ų190131.8 Ų131.889%0.88877%0.766SS**  trans-143.3122.6159.8-110.8171.213.200111.7L21Q19-L21 PolarHBondContact O-N 3.38Å
20A31.6Very low31.3Very low105 Ų105128.6 Ų128.687%0.86876%0.761SS**  trans-55.5120.717900000111.4S22A20-S22 PolarHBondContact O-N 3.32Å
21L27.4Very low31.6Very low163 Ų163123.9 Ų123.985%0.85374%0.737SS**  trans-67.898.2174.1-82.7152.6000110.3Q19 T23Q19-L21 PolarHBondContact O-N 3.38Å; L21-T23 PolarHBondContact O-N 2.91Å
22S28.9Very low32.3Very low114 Ų114117.7 Ų117.780%0.79771%0.712SS**  trans-76.195.9153.9169.10000107.8A20 A24A20-S22 PolarHBondContact O-N 3.32Å; S22-A24 PolarHBondContact O-N 2.75Å
23T30.6Very low32.7Very low119 Ų119122.7 Ų122.773%0.7371%0.706SS**  trans-73.489.4177.9-45.30000109.4L21 L25L21-T23 PolarHBondContact O-N 2.91Å; T23-L25 PolarHBondContact O-N 3.42Å
24A31.8Very low33Very low80 Ų80125.5 Ų125.566%0.66170%0.702SS**  trans-63.8113.5163.900000108.6S22 V26S22-A24 PolarHBondContact O-N 2.75Å; A24-V26 PolarHBondContact O-N 2.65Å
25L32.8Very low33.8Very low119 Ų119121.1 Ų121.162%0.62368%0.68SS**  trans-58.2100.4174.5-95.9141000110.2T23 V27 H236T23-L25 PolarHBondContact O-N 3.42Å; L25-V27 PolarHBondContact O-N 3.28Å; L25-H236 VanDerWaalsContact CD1-CD2 3.49Å; L25-H236 WeakPolarHBondContact CD1-CD2 3.3Å
26V32.3Very low34.2Very low134 Ų134121.8 Ų121.881%0.81267%0.67SS**  trans-78.593.7168.3179.80000107.7A24A24-V26 PolarHBondContact O-N 2.65Å
27V38.1Very low34.9Very low82 Ų82122.8 Ų122.850%0.49767%0.67SS.*  trans-76.5122.3171.7-175.60000108.7L25L25-V27 PolarHBondContact O-N 3.28Å
28P32.9Very low36Very low82 Ų82120.5 Ų120.553%0.53266%0.662SS.*  trans-65.5139.1-173.821.5-29.6000113.3S30 A31P28-S30 PolarHBondContact O-N 2.82Å; P28-A31 PolarHBondContact O-N 3.42Å
29Y32.2Very low38Very low150 Ų150114.1 Ų114.159%0.58863%0.634SS**Hα-helixtrans-57.8-18.7-171.9-164.8-104.2000115.5R71Y29-R71 PolarHBondContact OH-NH1 3.06Å
30S33.5Very low40.5Very low89 Ų89109.2 Ų109.262%0.62262%0.617SS**Hα-helixtrans-78.9-26.3179.951.70000113.8P28P28-S30 PolarHBondContact O-N 2.82Å
31A37.1Very low43.2Very low46 Ų46104.4 Ų104.438%0.3858%0.577SS.*Hα-helixtrans-75.9-32.4-179.500000112.5P28P28-A31 PolarHBondContact O-N 3.42Å
32V40Very low46.3Very low57 Ų5798 Ų9835%0.34554%0.544SS..Hα-helixtrans-74.9-29.3-175.5-176.20000112.2Q34V32-Q34 VanDerWaalsContact C-N 3.33Å; V32-Q34 PolarHBondContact O-N 3.34Å
33R39.4Very low49.5Very low185 Ų18597.7 Ų97.770%0.69853%0.533SS*.THydrogen-bonded Turntrans-79.4-9.4-177.5-109.7-174.5-179.3-162.5-0.9114.9
34Q37.9Very low52.7Low160 Ų16092.7 Ų92.775%0.74850%0.502SS*.THydrogen-bonded Turntrans-100.5-14.9177.8-81.5-176.6-46.600113.8V32V32-Q34 VanDerWaalsContact C-N 3.33Å; V32-Q34 PolarHBondContact O-N 3.34Å
35L44.6Very low55.8Low64 Ų6491.6 Ų91.634%0.33549%0.486SS..THydrogen-bonded Turntrans-94.8-3.6-177-103.592.5000115.4H37 P230 D231L35-H37 PolarHBondContact O-N 3.49Å; L35-P230 HydrophobicContact CD2-CB 3.94Å; L35-D231 HydrophobicContact CD2-CB 3.96Å
36E44.1Very low58.9Low129 Ų12985.9 Ų85.960%0.60346%0.457SS*.THydrogen-bonded Turntrans-70.6-4.4175-73178.1163.100113
37H45.2Very low62Low164 Ų16482.5 Ų82.576%0.75943%0.434SS*.SBendtrans-105.6109.4164.5-67.4-100.5000108.1L35L35-H37 PolarHBondContact O-N 3.49Å
38T55.6Low64.8Low113 Ų11382.3 Ų82.369%0.69343%0.426SS*.  cis-153.592.55330000104.9T40T38-T40 PolarHBondContact O-N 2.86Å
39L70Confident67.8Low52 Ų5280 Ų8027%0.27241%0.411SS..  trans-66.6115.2171.3-66.9178.9000107.3G41 W67 D226 P230L39-G41 PolarHBondContact O-N 2.89Å; L39-W67 HydrophobicContact CB-CB 4.49Å; L39-W67 HydrophobicContact CD1-CB 3.39Å; L39-W67 HydrophobicContact CD1-CD2 4.43Å; L39-W67 HydrophobicContact CD1-CG 3.52Å; L39-D226 WeakPolarHBondContact CD2-O 3.32Å; L39-P230 HydrophobicContact CD1-CG 3.95Å
40T83.6Confident70.8Confident87 Ų8774 Ų7453%0.53439%0.387SS..  trans-78.2-7.9-172.258.70000113.2T38T38-T40 PolarHBondContact O-N 2.86Å
41G89Confident73.6Confident4 Ų474.8 Ų74.84%0.04138%0.377CS..  trans69.1-167.6-167.300000112.3L39 L65 R227L39-G41 PolarHBondContact O-N 2.89Å; G41-L65 CarbonylContact C-O 3.47Å; G41-L65 WeakPolarHBondContact CA-O 3.26Å; G41-R227 PolarHBondContact N-O 2.84Å
42N92.6Very high76.3Confident27 Ų2774 Ų7414%0.14437%0.372CS..EExtended strand (participates in β ladder)trans-146.5117.9177.4-173.328000110.7L65 Y182 L228N42-L65 HydrophobicContact CB-CB 4.49Å; N42-L65 PolarHBondContact N-O 2.85Å; N42-L65 PolarHBondContact O-N 2.77Å; N42-Y182 PolarHBondContact ND2-OH 3.14Å; N42-L228 HydrophobicContact CB-CD1 4.22Å; N42-L228 HydrophobicContact CB-CD2 3.84Å; N42-L228 HydrophobicContact CB-CG 4.18Å
43D96.1Very high78.9Confident108 Ų10875.6 Ų75.658%0.57838%0.379SS*.EExtended strand (participates in β ladder)trans-103.9137.3178.1-59.8-71.8000111.2F63 H64D43-F63 WeakPolarHBondContact CA-O 3.3Å; D43-H64 WeakPolarHBondContact OD1-CB 3.41Å; D43-H64 IonicContact OD1-CE1 2.74Å; D43-H64 IonicContact OD1-CG 3.26Å; D43-H64 IonicContact OD1-ND1 3.72Å; D43-H64 PolarHBondContact OD1-ND1 3.02Å; D43-H64 IonicContact OD2-ND1 2.77Å
44F97.4Very high81.6Confident15 Ų1571.4 Ų71.47%0.06638%0.376CS..EExtended strand (participates in β ladder)trans-156.9167.4172.161-90.1000112.1F63 L65 Y182 A184 F199F44-F63 HydrophobicContact CD1-CB 4.14Å; F44-F63 HydrophobicContact CD2-CB 3.88Å; F44-F63 HydrophobicContact CD2-CD2 4.1Å; F44-F63 HydrophobicContact CD2-CG 4.16Å; F44-F63 HydrophobicContact CE1-CB 3.74Å; F44-F63 HydrophobicContact CE1-CG 4.42Å; F44-F63 HydrophobicContact CE2-CB 3.4Å; F44-F63 VanDerWaalsContact CE2-CB 3.4Å; F44-F63 AromaticContact CE2-CD1 4Å; F44-F63 HydrophobicContact CE2-CD1 4Å; F44-F63 AromaticContact CE2-CD2 3.53Å; F44-F63 HydrophobicContact CE2-CD2 3.53Å; F44-F63 HydrophobicContact CE2-CE2 4.27Å; F44-F63 AromaticContact CE2-CG 3.37Å; F44-F63 HydrophobicContact CE2-CG 3.37Å; F44-F63 HydrophobicContact CG-CB 4.22Å; F44-F63 HydrophobicContact CZ-CB 3.34Å; F44-F63 AromaticContact CZ-CD1 3.85Å; F44-F63 HydrophobicContact CZ-CD1 3.85Å; F44-F63 HydrophobicContact CZ-CD2 4.19Å; F44-F63 AromaticContact CZ-CG 3.54Å; F44-F63 HydrophobicContact CZ-CG 3.54Å; F44-F63 PolarHBondContact N-O 2.79Å; F44-F63 PolarHBondContact O-N 2.83Å; F44-L65 HydrophobicContact CD1-CD1 4.37Å; F44-L65 HydrophobicContact CE1-CD1 3.42Å; F44-L65 VanDerWaalsContact CE1-CD1 3.42Å; F44-L65 HydrophobicContact CE1-CD2 4.46Å; F44-L65 HydrophobicContact CZ-CD1 3.93Å; F44-Y182 AromaticContact CD1-CE2 3.76Å; F44-Y182 HydrophobicContact CD1-CE2 3.76Å; F44-Y182 HydrophobicContact CE1-CD2 4.36Å; F44-Y182 AromaticContact CE1-CE2 3.56Å; F44-Y182 HydrophobicContact CE1-CE2 3.56Å; F44-Y182 HydrophobicContact CG-CE2 4.46Å; F44-Y182 HydrophobicContact CZ-CE2 4.14Å; F44-A184 HydrophobicContact CD2-CB 4.44Å; F44-A184 HydrophobicContact CE2-CB 3.37Å; F44-A184 HydrophobicContact CZ-CB 3.76Å; F44-F199 HydrophobicContact CB-CD2 3.9Å; F44-F199 HydrophobicContact CB-CE1 4.45Å; F44-F199 HydrophobicContact CB-CE2 3.5Å; F44-F199 VanDerWaalsContact CB-CE2 3.5Å; F44-F199 HydrophobicContact CB-CZ 3.76Å; F44-F199 HydrophobicContact CD2-CB 4.09Å; F44-F199 HydrophobicContact CD2-CD1 4.19Å; F44-F199 AromaticContact CD2-CD2 3.88Å; F44-F199 HydrophobicContact CD2-CD2 3.88Å; F44-F199 HydrophobicContact CD2-CE2 4.3Å; F44-F199 AromaticContact CD2-CG 3.79Å; F44-F199 HydrophobicContact CD2-CG 3.79Å; F44-F199 HydrophobicContact CE2-CB 4.37Å; F44-F199 HydrophobicContact CE2-CG 4.39Å; F44-F199 HydrophobicContact CG-CD1 4.46Å; F44-F199 HydrophobicContact CG-CD2 4.18Å; F44-F199 HydrophobicContact CG-CE1 4.39Å; F44-F199 HydrophobicContact CG-CE2 4.13Å; F44-F199 HydrophobicContact CG-CG 4.32Å; F44-F199 HydrophobicContact CG-CZ 4.18Å
45V97.9Very high84.3Confident56 Ų5665.1 Ų65.134%0.33935%0.348SS..EExtended strand (participates in β ladder)trans-125141.8177.9-64.30000110.6N47 F61 F199V45-N47 HydrophobicContact CG2-CB 4.27Å; V45-F61 CarbonylContact C-O 3.57Å; V45-F61 VanDerWaalsContact CA-O 3.31Å; V45-F61 WeakPolarHBondContact CA-O 3.28Å; V45-F199 WeakPolarHBondContact O-CD2 3.39Å
46V98.2Very high86.7Confident0 Ų068 Ų680%037%0.368CS..EExtended strand (participates in β ladder)trans-94103.2168.3173.40000106.8P60 F61 F63 A184 A186 E197 F199V46-P60 WeakPolarHBondContact O-CB 3.46Å; V46-F61 HydrophobicContact CB-CB 4.28Å; V46-F61 PolarHBondContact N-O 2.93Å; V46-F61 PolarHBondContact O-N 3.19Å; V46-F63 HydrophobicContact CB-CE2 4.3Å; V46-F63 HydrophobicContact CG2-CD2 4.08Å; V46-F63 HydrophobicContact CG2-CE2 3.53Å; V46-F63 HydrophobicContact CG2-CZ 4.35Å; V46-A184 HydrophobicContact CG2-CB 4.12Å; V46-A186 HydrophobicContact CG1-CB 4.14Å; V46-E197 HydrophobicContact CG1-CB 3.51Å; V46-F199 HydrophobicContact CG2-CB 4Å
47N96.9Very high89Confident62 Ų6269 Ų6933%0.33237%0.373SS..  trans-136.615.3-17269.3-9.6000113.7V45 V55 P60V45-N47 HydrophobicContact CG2-CB 4.27Å; N47-V55 PolarHBondContact O-N 2.88Å; N47-P60 HydrophobicContact CB-CB 3.8Å
48K96.8Very high91.4Very high78 Ų7863 Ų6334%0.33935%0.346SS..EExtended strand (participates in β ladder)trans-133151.8177.9-66170-167.3169.50109.3D53 E197 A198 P201K48-D53 CarbonylContact C-O 3.58Å; K48-D53 WeakPolarHBondContact CA-O 3.45Å; K48-E197 CarbonylContact O-C 3.44Å; K48-E197 WeakPolarHBondContact O-CA 3.28Å; K48-E197 WeakPolarHBondContact O-CB 3.04Å; K48-A198 PolarHBondContact O-N 3.41Å; K48-P201 HydrophobicContact CB-CG 4.46Å; K48-P201 HydrophobicContact CD-CG 4.11Å
49T95.7Very high93.3Very high35 Ų3564.8 Ų64.822%0.21535%0.346CS..EExtended strand (participates in β ladder)trans-65.3163.916570.90000109.8R51 G52 D53T49-R51 PolarHBondContact O-N 3.49Å; T49-R51 PolarHBondContact OG1-N 3.44Å; T49-G52 PolarHBondContact O-N 2.74Å; T49-G52 PolarHBondContact OG1-N 3.32Å; T49-D53 HydrophobicContact CG2-CB 4Å; T49-D53 PolarHBondContact N-O 3.31Å; T49-D53 WeakPolarHBondContact OG1-CB 3.19Å; T49-D53 PolarHBondContact OG1-N 3.31Å; T49-D53 VanDerWaalsContact OG1-N 3.09Å; T49-D53 PolarHBondContact OG1-OD2 2.64Å
50W94.4Very high94.6Very high24 Ų2464.2 Ų64.29%0.09135%0.346CS..THydrogen-bonded Turntrans-56-19.8171.669-90.7000114.1V196 P201 V202 S203 D209 P212W50-V196 HydrophobicContact CB-CG1 4.07Å; W50-V196 VanDerWaalsContact CD1-O 3.27Å; W50-V196 HydrophobicContact CG-CB 4.42Å; W50-V196 HydrophobicContact CG-CG1 4.42Å; W50-V196 PolarHBondContact N-O 3.02Å; W50-P201 WeakPolarHBondContact O-CA 3.49Å; W50-P201 WeakPolarHBondContact O-CB 2.78Å; W50-V202 HydrophobicContact CB-CG2 4.13Å; W50-V202 PolarHBondContact O-N 2.86Å; W50-S203 PolarHBondContact O-N 2.9Å; W50-D209 HydrophobicContact CH2-CB 4.48Å; W50-D209 WeakPolarHBondContact CH2-OD1 3.13Å; W50-D209 HydrophobicContact CZ3-CB 4.46Å; W50-D209 VanDerWaalsContact CZ3-CG 3.45Å; W50-D209 VanDerWaalsContact CZ3-OD1 3.23Å; W50-D209 WeakPolarHBondContact CZ3-OD1 3.47Å; W50-D209 WeakPolarHBondContact CZ3-OD2 3.26Å; W50-P212 HydrophobicContact CB-CB 4.13Å; W50-P212 HydrophobicContact CD2-CB 3.72Å; W50-P212 HydrophobicContact CE3-CB 4.16Å; W50-P212 HydrophobicContact CG-CB 3.73Å
51R93.3Very high95.3Very high105 Ų10560.2 Ų60.240%0.39632%0.321SS..THydrogen-bonded Turntrans-88.1-15.7173.4-61.9-175.6-177.6-77.71.2114.2T49 D209T49-R51 PolarHBondContact O-N 3.49Å; T49-R51 PolarHBondContact OG1-N 3.44Å; R51-D209 PolarHBondContact NH1-O 2.89Å; R51-D209 PolarHBondContact NH2-O 2.77Å
52G93.7Very high95.7Very high28 Ų2862.6 Ų62.629%0.28934%0.336SS..SBendtrans100.32.8-178.700000115.5T49T49-G52 PolarHBondContact O-N 2.74Å; T49-G52 PolarHBondContact OG1-N 3.32Å
53D94.2Very high96Very high91 Ų9161.5 Ų61.549%0.48733%0.331SS..PPolyproline II helixtrans-68139172.5-53.3-60.9000109.8K48 T49K48-D53 CarbonylContact C-O 3.58Å; K48-D53 WeakPolarHBondContact CA-O 3.45Å; T49-D53 HydrophobicContact CG2-CB 4Å; T49-D53 PolarHBondContact N-O 3.31Å; T49-D53 WeakPolarHBondContact OG1-CB 3.19Å; T49-D53 PolarHBondContact OG1-N 3.31Å; T49-D53 VanDerWaalsContact OG1-N 3.09Å; T49-D53 PolarHBondContact OG1-OD2 2.64Å
54P96.5Very high96Very high97 Ų9759 Ų5963%0.6332%0.315SS*.BIsolated β-bridgetrans-61.5138.2176.6-2233.3000112.3T56P54-T56 HydrophobicContact CB-CG2 4.41Å
55V95.8Very high96Very high28 Ų2858.2 Ų58.217%0.1731%0.312CS..PPolyproline II helixtrans-76.7126.5169.1176.50000108.5N47 H58 E197N47-V55 PolarHBondContact O-N 2.88Å; V55-H58 VanDerWaalsContact CG1-CE1 3.48Å; V55-H58 WeakPolarHBondContact CG1-CE1 3.45Å; V55-E197 HydrophobicContact CG2-CB 4.41Å; V55-E197 HydrophobicContact CG2-CG 3.66Å
56T94.6Very high95.9Very high124 Ų12458.4 Ų58.476%0.76131%0.309SS*.  trans-132-8.1-174.756.40000114.3P54P54-T56 HydrophobicContact CB-CG2 4.41Å
57E92.7Very high95.5Very high151 Ų15160.4 Ų60.471%0.70632%0.317SS*.SBendtrans-86-21.1-173.7-62.3-179.7177.600112.9H195E57-H195 IonicContact OE2-CE1 2.87Å; E57-H195 PolarHBondContact OE2-CE1 2.69Å
58H95Very high95.1Very high38 Ų3860.6 Ų60.618%0.17631%0.313CS..SBendtrans-153171.1179.457.281.1000110.7V55 P88 F90 H188 E197V55-H58 VanDerWaalsContact CG1-CE1 3.48Å; V55-H58 WeakPolarHBondContact CG1-CE1 3.45Å; H58-P88 HydrophobicContact CB-CG 4.41Å; H58-F90 HydrophobicContact CB-CE1 4.42Å; H58-F90 HydrophobicContact CB-CZ 4.35Å; H58-F90 AromaticContact CD2-CE1 3.75Å; H58-F90 AromaticContact CD2-CZ 3.51Å; H58-F90 AromaticContact CE1-CZ 3.74Å; H58-F90 AromaticContact CG-CZ 3.64Å; H58-F90 AromaticContact ND1-CZ 3.79Å; H58-F90 AromaticContact NE2-CZ 3.59Å; H58-H188 AromaticContact CE1-NE2 3.83Å; H58-H188 AromaticContact NE2-CE1 3.59Å; H58-H188 AromaticContact NE2-NE2 3.26Å; H58-H188 PolarHBondContact NE2-NE2 3.23Å; H58-E197 IonicContact CE1-OE1 2.63Å; H58-E197 PolarHBondContact CE1-OE1 2.86Å; H58-E197 IonicContact CE1-OE2 3.21Å; H58-E197 PolarHBondContact CE1-OE2 3.01Å; H58-E197 IonicContact NE2-OE1 3.9Å; H58-E197 PolarHBondContact NE2-OE1 3.42Å
59E95Very high94.4Very high151 Ų15159.7 Ų59.771%0.70631%0.309SS*.PPolyproline II helixtrans-64.5144.3172.4-67.7-61.7144.800111.2P88E59-P88 WeakPolarHBondContact O-CD 3.46Å
60P96.9Very high93.6Very high40 Ų4062 Ų6226%0.2632%0.317SS..PPolyproline II helixtrans-72.6154.7-179.230.7-35.1000112.1V46 N47V46-P60 WeakPolarHBondContact O-CB 3.46Å; N47-P60 HydrophobicContact CB-CB 3.8Å
61F98Very high92.6Very high3 Ų367.8 Ų67.81%0.01334%0.34CS..EExtended strand (participates in β ladder)trans-73.9129168.8-73.4-94.6000110.5V45 V46 F63 V85 D86 P88 F90 V112 W164 A186V45-F61 CarbonylContact C-O 3.57Å; V45-F61 VanDerWaalsContact CA-O 3.31Å; V45-F61 WeakPolarHBondContact CA-O 3.28Å; V46-F61 HydrophobicContact CB-CB 4.28Å; V46-F61 PolarHBondContact N-O 2.93Å; V46-F61 PolarHBondContact O-N 3.19Å; F61-F63 HydrophobicContact CB-CD2 4.41Å; F61-F63 HydrophobicContact CB-CE2 3.73Å; F61-V85 HydrophobicContact CD1-CG1 3.94Å; F61-D86 CarbonylContact C-O 3.59Å; F61-D86 WeakPolarHBondContact CA-O 3.49Å; F61-P88 HydrophobicContact CE2-CG 3.88Å; F61-P88 HydrophobicContact CZ-CG 3.94Å; F61-P88 VanDerWaalsContact CZ-O 3.31Å; F61-P88 WeakPolarHBondContact CZ-O 3.47Å; F61-F90 AromaticContact CE2-CE2 3.88Å; F61-F90 HydrophobicContact CE2-CE2 3.88Å; F61-F90 AromaticContact CZ-CE2 3.92Å; F61-F90 HydrophobicContact CZ-CE2 3.92Å; F61-V112 HydrophobicContact CD1-CG1 3.8Å; F61-V112 HydrophobicContact CE1-CG1 3.88Å; F61-V112 HydrophobicContact CG-CG1 4.33Å; F61-V112 HydrophobicContact CZ-CG1 4.44Å; F61-W164 AromaticContact CE1-CE3 3.9Å; F61-W164 HydrophobicContact CE1-CE3 3.9Å; F61-W164 HydrophobicContact CE1-CZ3 4.12Å; F61-W164 HydrophobicContact CZ-CE3 4.47Å; F61-A186 HydrophobicContact CD2-CB 3.42Å; F61-A186 VanDerWaalsContact CD2-CB 3.42Å; F61-A186 HydrophobicContact CE2-CB 3.62Å; F61-A186 HydrophobicContact CG-CB 4.08Å; F61-A186 HydrophobicContact CZ-CB 4.41Å
62S98.1Very high91.7Very high53 Ų5365.6 Ų65.637%0.37134%0.338SS..EExtended strand (participates in β ladder)trans-102.2133.4176-61.50000110.3V85 D86S62-V85 WeakPolarHBondContact O-CA 3.3Å; S62-D86 PolarHBondContact N-O 3.41Å; S62-D86 PolarHBondContact O-N 3.14Å
63F98.2Very high90.6Very high5 Ų576.3 Ų76.32%0.02237%0.369CS..EExtended strand (participates in β ladder)trans-121.1134.8179.6-70.8-105.6000110.4D43 F44 V46 F61 L65 V83 Y84 V85 V112 V114 A184D43-F63 WeakPolarHBondContact CA-O 3.3Å; F44-F63 HydrophobicContact CD1-CB 4.14Å; F44-F63 HydrophobicContact CD2-CB 3.88Å; F44-F63 HydrophobicContact CD2-CD2 4.1Å; F44-F63 HydrophobicContact CD2-CG 4.16Å; F44-F63 HydrophobicContact CE1-CB 3.74Å; F44-F63 HydrophobicContact CE1-CG 4.42Å; F44-F63 HydrophobicContact CE2-CB 3.4Å; F44-F63 VanDerWaalsContact CE2-CB 3.4Å; F44-F63 AromaticContact CE2-CD1 4Å; F44-F63 HydrophobicContact CE2-CD1 4Å; F44-F63 AromaticContact CE2-CD2 3.53Å; F44-F63 HydrophobicContact CE2-CD2 3.53Å; F44-F63 HydrophobicContact CE2-CE2 4.27Å; F44-F63 AromaticContact CE2-CG 3.37Å; F44-F63 HydrophobicContact CE2-CG 3.37Å; F44-F63 HydrophobicContact CG-CB 4.22Å; F44-F63 HydrophobicContact CZ-CB 3.34Å; F44-F63 AromaticContact CZ-CD1 3.85Å; F44-F63 HydrophobicContact CZ-CD1 3.85Å; F44-F63 HydrophobicContact CZ-CD2 4.19Å; F44-F63 AromaticContact CZ-CG 3.54Å; F44-F63 HydrophobicContact CZ-CG 3.54Å; F44-F63 PolarHBondContact N-O 2.79Å; F44-F63 PolarHBondContact O-N 2.83Å; V46-F63 HydrophobicContact CB-CE2 4.3Å; V46-F63 HydrophobicContact CG2-CD2 4.08Å; V46-F63 HydrophobicContact CG2-CE2 3.53Å; V46-F63 HydrophobicContact CG2-CZ 4.35Å; F61-F63 HydrophobicContact CB-CD2 4.41Å; F61-F63 HydrophobicContact CB-CE2 3.73Å; F63-L65 HydrophobicContact CB-CD1 4.09Å; F63-V83 HydrophobicContact CD1-CG1 4.1Å; F63-Y84 VanDerWaalsContact CA-O 3.32Å; F63-Y84 WeakPolarHBondContact CA-O 3.24Å; F63-V85 HydrophobicContact CD1-CG1 4.42Å; F63-V85 HydrophobicContact CD1-CG2 3.67Å; F63-V85 HydrophobicContact CE1-CB 4.4Å; F63-V85 HydrophobicContact CE1-CG1 4.03Å; F63-V85 HydrophobicContact CE1-CG2 3.53Å; F63-V85 HydrophobicContact CE2-CG1 4.24Å; F63-V85 HydrophobicContact CZ-CG1 3.93Å; F63-V85 HydrophobicContact CZ-CG2 4.28Å; F63-V112 HydrophobicContact CE1-CB 4.36Å; F63-V112 HydrophobicContact CE1-CG2 4.49Å; F63-V112 HydrophobicContact CZ-CB 3.93Å; F63-V112 HydrophobicContact CZ-CG1 4.14Å; F63-V112 HydrophobicContact CZ-CG2 4.48Å; F63-V114 HydrophobicContact CD1-CG2 4.08Å; F63-V114 HydrophobicContact CE1-CG2 3.81Å; F63-A184 HydrophobicContact CZ-CB 4.42Å
64H97.6Very high89.6Confident54 Ų5476 Ų7625%0.2539%0.387CS..EExtended strand (participates in β ladder)trans-125127167.7175.972.3000109.3D43 E66 Y84D43-H64 WeakPolarHBondContact OD1-CB 3.41Å; D43-H64 IonicContact OD1-CE1 2.74Å; D43-H64 IonicContact OD1-CG 3.26Å; D43-H64 IonicContact OD1-ND1 3.72Å; D43-H64 PolarHBondContact OD1-ND1 3.02Å; D43-H64 IonicContact OD2-ND1 2.77Å; H64-E66 IonicContact NE2-OE2 3.6Å; H64-Y84 HydrophobicContact CB-CD2 4.46Å; H64-Y84 AromaticContact CD2-CD2 3.64Å; H64-Y84 PolarHBondContact N-O 3.05Å; H64-Y84 PolarHBondContact O-N 3.31Å
65L97.3Very high88.3Confident0 Ų078.3 Ų78.30%039%0.388CS..EExtended strand (participates in β ladder)trans-116.5133.7177.2-73.967.8000109.6G41 N42 F44 F63 V81 K82 V83 F116 L228G41-L65 CarbonylContact C-O 3.47Å; G41-L65 WeakPolarHBondContact CA-O 3.26Å; N42-L65 HydrophobicContact CB-CB 4.49Å; N42-L65 PolarHBondContact N-O 2.85Å; N42-L65 PolarHBondContact O-N 2.77Å; F44-L65 HydrophobicContact CD1-CD1 4.37Å; F44-L65 HydrophobicContact CE1-CD1 3.42Å; F44-L65 VanDerWaalsContact CE1-CD1 3.42Å; F44-L65 HydrophobicContact CE1-CD2 4.46Å; F44-L65 HydrophobicContact CZ-CD1 3.93Å; F63-L65 HydrophobicContact CB-CD1 4.09Å; L65-V81 HydrophobicContact CB-CG1 4.22Å; L65-V81 HydrophobicContact CD2-CG1 4.39Å; L65-V81 HydrophobicContact CG-CG1 4.48Å; L65-K82 VanDerWaalsContact CA-O 3.32Å; L65-K82 WeakPolarHBondContact CA-O 3.15Å; L65-V83 HydrophobicContact CD1-CG1 3.91Å; L65-V83 HydrophobicContact CD2-CG2 4.47Å; L65-V83 HydrophobicContact CG-CB 4.46Å; L65-V83 HydrophobicContact CG-CG1 4.1Å; L65-V83 HydrophobicContact CG-CG2 4.06Å; L65-F116 HydrophobicContact CD2-CE1 4.21Å; L65-F116 HydrophobicContact CD2-CZ 3.66Å; L65-L228 HydrophobicContact CB-CD1 4.19Å; L65-L228 HydrophobicContact CB-CD2 3.57Å; L65-L228 HydrophobicContact CD2-CD1 3.94Å; L65-L228 VanDerWaalsContact O-CD2 3.22Å; L65-L228 WeakPolarHBondContact O-CD2 3.2Å
66E94.1Very high86.8Confident60 Ų6080.8 Ų80.828%0.2840%0.404SS..EExtended strand (participates in β ladder)trans-141.3154.9177.369.9-179.9-179.400112.6H64 V81 K82 Y84H64-E66 IonicContact NE2-OE2 3.6Å; E66-V81 CarbonylContact O-C 3.44Å; E66-V81 WeakPolarHBondContact O-CA 3.41Å; E66-K82 HydrophobicContact CG-CB 3.98Å; E66-K82 PolarHBondContact N-O 3.41Å; E66-K82 PolarHBondContact O-N 3.27Å; E66-Y84 HydrophobicContact CG-CE2 3.87Å; E66-Y84 VanDerWaalsContact OE1-CE2 3.22Å; E66-Y84 WeakPolarHBondContact OE1-CE2 3.44Å; E66-Y84 PolarHBondContact OE1-OH 3.06Å
67W89.9Confident85.9Confident42 Ų4278.2 Ų78.216%0.15938%0.383CS..EExtended strand (participates in β ladder)trans-73.8131.7169.4176.3-112000110.7L39 F69 R79 L172 L228 P230L39-W67 HydrophobicContact CB-CB 4.49Å; L39-W67 HydrophobicContact CD1-CB 3.39Å; L39-W67 HydrophobicContact CD1-CD2 4.43Å; L39-W67 HydrophobicContact CD1-CG 3.52Å; W67-F69 HydrophobicContact CZ2-CB 4.17Å; W67-R79 HydrophobicContact CH2-CB 3.78Å; W67-R79 HydrophobicContact CH2-CG 4.07Å; W67-R79 HydrophobicContact CZ2-CB 4.37Å; W67-R79 HydrophobicContact CZ2-CG 4.26Å; W67-L172 HydrophobicContact CH2-CD2 4.27Å; W67-L172 HydrophobicContact CZ3-CD1 4.41Å; W67-L228 WeakPolarHBondContact CB-O 3.49Å; W67-P230 VanDerWaalsContact CD2-CD 3.49Å; W67-P230 HydrophobicContact CD2-CG 3.96Å; W67-P230 HydrophobicContact CG-CG 4.34Å; W67-P230 HydrophobicContact CH2-CG 4.36Å; W67-P230 HydrophobicContact CZ2-CG 3.8Å
68Y88.4Confident85.3Confident66 Ų6673.2 Ų73.226%0.25936%0.359SS..EExtended strand (participates in β ladder)trans-126.9121.9170.9-177.2-98000111.3Q70 K78 V80 K82Y68-Q70 HydrophobicContact CE1-CB 3.67Å; Y68-Q70 HydrophobicContact CE1-CG 4.48Å; Y68-Q70 VanDerWaalsContact OH-CD 3.31Å; Y68-Q70 PolarHBondContact OH-NE2 2.76Å; Y68-K78 HydrophobicContact CD1-CD 4.24Å; Y68-K78 HydrophobicContact CE1-CD 3.94Å; Y68-V80 HydrophobicContact CD1-CG2 3.88Å; Y68-V80 HydrophobicContact CG-CG2 4.27Å; Y68-V80 PolarHBondContact N-O 2.86Å; Y68-V80 PolarHBondContact O-N 3.35Å; Y68-K82 HydrophobicContact CD1-CD 4.46Å; Y68-K82 HydrophobicContact CD2-CD 4.1Å; Y68-K82 HydrophobicContact CG-CD 3.88Å; Y68-K82 VanDerWaalsContact CG-CE 3.45Å; Y68-K82 HydrophobicContact CG-CG 4.27Å
69F82.3Confident84.7Confident58 Ų5876 Ų7625%0.25437%0.368SS..EExtended strand (participates in β ladder)trans-120.3126.9175176.2-114.9000110.3W67 R71 H77 K78 R79W67-F69 HydrophobicContact CZ2-CB 4.17Å; F69-R71 HydrophobicContact CE1-CB 4.35Å; F69-R71 HydrophobicContact CZ-CB 4.2Å; F69-H77 HydrophobicContact CE2-CB 3.85Å; F69-K78 WeakPolarHBondContact CA-O 2.94Å; F69-K78 WeakPolarHBondContact CD2-O 3.35Å; F69-R79 HydrophobicContact CD2-CG 3.8Å; F69-R79 HydrophobicContact CE2-CG 4.11Å
70Q78.7Confident84.5Confident83 Ų8369.1 Ų69.139%0.38834%0.337SS..EExtended strand (participates in β ladder)trans-132.2129.1175.7-163.3-175.134.800110.7Y68 V72 H77 K78Y68-Q70 HydrophobicContact CE1-CB 3.67Å; Y68-Q70 HydrophobicContact CE1-CG 4.48Å; Y68-Q70 VanDerWaalsContact OH-CD 3.31Å; Y68-Q70 PolarHBondContact OH-NE2 2.76Å; Q70-V72 HydrophobicContact CG-CG2 4.14Å; Q70-H77 WeakPolarHBondContact O-CA 3.46Å; Q70-K78 HydrophobicContact CB-CB 3.92Å; Q70-K78 PolarHBondContact N-O 3.44Å; Q70-K78 PolarHBondContact O-N 2.94Å
71R74.6Confident84.3Confident147 Ų14767.2 Ų67.256%0.55532%0.324SS*.  trans-114.4113.1174.1-178.1171.1-172.4-159.9-1109.9Y29 F69 H77Y29-R71 PolarHBondContact OH-NH1 3.06Å; F69-R71 HydrophobicContact CE1-CB 4.35Å; F69-R71 HydrophobicContact CZ-CB 4.2Å; R71-H77 PolarHBondContact NE-NE2 3.13Å
72V74.8Confident84.2Confident59 Ų5968.5 Ų68.536%0.35833%0.33SS..  trans-113.3128.2173.4-178.60000108.5Q70 G74 K75Q70-V72 HydrophobicContact CG-CG2 4.14Å; V72-G74 PolarHBondContact O-N 3.49Å; V72-K75 HydrophobicContact CB-CB 4.19Å; V72-K75 HydrophobicContact CB-CD 4.35Å; V72-K75 HydrophobicContact CB-CG 4.45Å; V72-K75 HydrophobicContact CG1-CB 4.49Å; V72-K75 HydrophobicContact CG1-CD 4.09Å; V72-K75 HydrophobicContact CG1-CG 4.24Å; V72-K75 PolarHBondContact O-N 3.07Å; V72-K75 VanDerWaalsContact O-N 3.09Å
73R68.9Low84.2Confident252 Ų25266 Ų6695%0.95131%0.312SS*.THydrogen-bonded Turntrans-58.7127.9179.3-174.6179.6179.5-177.9-0.6109.8K75R73-K75 VanDerWaalsContact C-N 3.31Å
74G74.3Confident84.1Confident84 Ų8469.4 Ų69.487%0.86633%0.326SS*.THydrogen-bonded Turntrans83.1-0.7-18000000115.2V72V72-G74 PolarHBondContact O-N 3.49Å
75K68.7Low84.1Confident146 Ų14667.1 Ų67.164%0.63532%0.315SS*.SBendtrans-116.6155.2171.8-62.1-170.9177.2-173.80110.2V72 R73V72-K75 HydrophobicContact CB-CB 4.19Å; V72-K75 HydrophobicContact CB-CD 4.35Å; V72-K75 HydrophobicContact CB-CG 4.45Å; V72-K75 HydrophobicContact CG1-CB 4.49Å; V72-K75 HydrophobicContact CG1-CD 4.09Å; V72-K75 HydrophobicContact CG1-CG 4.24Å; V72-K75 PolarHBondContact O-N 3.07Å; V72-K75 VanDerWaalsContact O-N 3.09Å; R73-K75 VanDerWaalsContact C-N 3.31Å
76P64.8Low84Confident80 Ų8070.2 Ų70.252%0.51933%0.332SS..PPolyproline II helixtrans-53.6149.8166.3-1927.8000111K78 W247P76-K78 PolarHBondContact O-N 3.44Å; P76-W247 HydrophobicContact CB-CZ2 4.41Å; P76-W247 HydrophobicContact CG-CH2 3.15Å; P76-W247 HydrophobicContact CG-CZ2 3.3Å; P76-W247 HydrophobicContact CG-CZ3 4.33Å
77H76.4Confident84.1Confident70 Ų7067.6 Ų67.632%0.32432%0.321SS..PPolyproline II helixtrans-69.1132.8172.6-58.4171.3000109.8F69 Q70 R71 R79F69-H77 HydrophobicContact CE2-CB 3.85Å; Q70-H77 WeakPolarHBondContact O-CA 3.46Å; R71-H77 PolarHBondContact NE-NE2 3.13Å; H77-R79 PolarHBondContact ND1-NH2 3.09Å
78K79Confident84.5Confident47 Ų4766.5 Ų66.520%0.20432%0.319CS..EExtended strand (participates in β ladder)trans-81.4123.1170.1-153.9178.2-151.2-170.30108.3Y68 F69 Q70 P76 V80 E154 E169Y68-K78 HydrophobicContact CD1-CD 4.24Å; Y68-K78 HydrophobicContact CE1-CD 3.94Å; F69-K78 WeakPolarHBondContact CA-O 2.94Å; F69-K78 WeakPolarHBondContact CD2-O 3.35Å; Q70-K78 HydrophobicContact CB-CB 3.92Å; Q70-K78 PolarHBondContact N-O 3.44Å; Q70-K78 PolarHBondContact O-N 2.94Å; P76-K78 PolarHBondContact O-N 3.44Å; K78-V80 HydrophobicContact CG-CG1 3.96Å; K78-E154 IonicContact NZ-OE1 3.99Å; K78-E154 PolarHBondContact NZ-OE1 3.06Å; K78-E154 IonicContact NZ-OE2 2.62Å; K78-E154 PolarHBondContact NZ-OE2 3.1Å; K78-E169 WeakPolarHBondContact CD-OE2 3.37Å; K78-E169 WeakPolarHBondContact CE-OE2 3.47Å; K78-E169 IonicContact NZ-OE1 3.17Å; K78-E169 PolarHBondContact NZ-OE1 3.08Å; K78-E169 IonicContact NZ-OE2 3.83Å; K78-E169 PolarHBondContact NZ-OE2 3.45Å
79R82.8Confident84.8Confident96 Ų9664.7 Ų64.736%0.36231%0.314SS..EExtended strand (participates in β ladder)trans-133.4101.5177.1-71.8-178-168.7109.3-6.5107.2W67 F69 H77 L172W67-R79 HydrophobicContact CH2-CB 3.78Å; W67-R79 HydrophobicContact CH2-CG 4.07Å; W67-R79 HydrophobicContact CZ2-CB 4.37Å; W67-R79 HydrophobicContact CZ2-CG 4.26Å; F69-R79 HydrophobicContact CD2-CG 3.8Å; F69-R79 HydrophobicContact CE2-CG 4.11Å; H77-R79 PolarHBondContact ND1-NH2 3.09Å; R79-L172 HydrophobicContact CB-CB 4.05Å; R79-L172 HydrophobicContact CB-CD2 4.33Å; R79-L172 WeakPolarHBondContact O-CB 3.26Å; R79-L172 PolarHBondContact O-N 3.4Å
80V90.7Very high85.4Confident7 Ų765 Ų654%0.04232%0.315CS..EExtended strand (participates in β ladder)trans-139.3156.3-173.1-56.20000110.3Y68 K78 K82 E169 I170Y68-V80 HydrophobicContact CD1-CG2 3.88Å; Y68-V80 HydrophobicContact CG-CG2 4.27Å; Y68-V80 PolarHBondContact N-O 2.86Å; Y68-V80 PolarHBondContact O-N 3.35Å; K78-V80 HydrophobicContact CG-CG1 3.96Å; V80-K82 HydrophobicContact CG2-CG 4.01Å; V80-E169 HydrophobicContact CB-CB 4.14Å; V80-E169 HydrophobicContact CG1-CB 4.18Å; V80-E169 HydrophobicContact CG2-CB 4.1Å; V80-E169 HydrophobicContact CG2-CG 4.48Å; V80-E169 WeakPolarHBondContact CG2-OE2 3.37Å; V80-I170 CarbonylContact C-O 3.3Å; V80-I170 WeakPolarHBondContact CA-O 3.35Å; V80-I170 WeakPolarHBondContact CB-O 3.49Å
81V93.7Very high86Confident0 Ų064.9 Ų64.90%032%0.317CS..EExtended strand (participates in β ladder)trans-93.8116.7157.11780000106.6L65 E66 I170 F175 I229L65-V81 HydrophobicContact CB-CG1 4.22Å; L65-V81 HydrophobicContact CD2-CG1 4.39Å; L65-V81 HydrophobicContact CG-CG1 4.48Å; E66-V81 CarbonylContact O-C 3.44Å; E66-V81 WeakPolarHBondContact O-CA 3.41Å; V81-I170 PolarHBondContact N-O 2.86Å; V81-I170 PolarHBondContact O-N 2.82Å; V81-F175 HydrophobicContact CB-CE2 4.18Å; V81-F175 HydrophobicContact CB-CZ 3.87Å; V81-F175 HydrophobicContact CG2-CE2 3.8Å; V81-F175 HydrophobicContact CG2-CZ 3.59Å; V81-I229 HydrophobicContact CG2-CD1 4.3Å; V81-I229 HydrophobicContact CG2-CG1 3.87Å
82K95.4Very high87Confident29 Ų2960.1 Ų60.113%0.12630%0.303CS..EExtended strand (participates in β ladder)trans-81133.7171.9-73.9-168.5167.5-164.70109.2L65 E66 Y68 V80 Y84 E169L65-K82 VanDerWaalsContact CA-O 3.32Å; L65-K82 WeakPolarHBondContact CA-O 3.15Å; E66-K82 HydrophobicContact CG-CB 3.98Å; E66-K82 PolarHBondContact N-O 3.41Å; E66-K82 PolarHBondContact O-N 3.27Å; Y68-K82 HydrophobicContact CD1-CD 4.46Å; Y68-K82 HydrophobicContact CD2-CD 4.1Å; Y68-K82 HydrophobicContact CG-CD 3.88Å; Y68-K82 VanDerWaalsContact CG-CE 3.45Å; Y68-K82 HydrophobicContact CG-CG 4.27Å; V80-K82 HydrophobicContact CG2-CG 4.01Å; K82-Y84 HydrophobicContact CB-CE2 3.84Å; K82-E169 VanDerWaalsContact CE-CD 3.48Å; K82-E169 WeakPolarHBondContact CE-OE1 3.31Å; K82-E169 HydrophobicContact CG-CG 4.12Å; K82-E169 IonicContact NZ-OE1 3.23Å; K82-E169 PolarHBondContact NZ-OE1 2.84Å
83V97Very high87.9Confident0 Ų058 Ų580%029%0.29CS..EExtended strand (participates in β ladder)trans-117.5121176.2-170.30000107.9F63 L65 V85 V114 V167 F168 I170F63-V83 HydrophobicContact CD1-CG1 4.1Å; L65-V83 HydrophobicContact CD1-CG1 3.91Å; L65-V83 HydrophobicContact CD2-CG2 4.47Å; L65-V83 HydrophobicContact CG-CB 4.46Å; L65-V83 HydrophobicContact CG-CG1 4.1Å; L65-V83 HydrophobicContact CG-CG2 4.06Å; V83-V85 HydrophobicContact CG1-CG2 4.15Å; V83-V114 HydrophobicContact CG1-CG2 4.41Å; V83-V167 VanDerWaalsContact O-CA 3.31Å; V83-V167 WeakPolarHBondContact O-CA 3.35Å; V83-F168 HydrophobicContact CB-CD1 4Å; V83-F168 HydrophobicContact CB-CD2 4.03Å; V83-F168 HydrophobicContact CB-CE1 3.62Å; V83-F168 HydrophobicContact CB-CE2 3.66Å; V83-F168 HydrophobicContact CB-CG 4.22Å; V83-F168 HydrophobicContact CB-CZ 3.45Å; V83-F168 VanDerWaalsContact CB-CZ 3.45Å; V83-F168 HydrophobicContact CG1-CD1 4.39Å; V83-F168 HydrophobicContact CG1-CE1 3.58Å; V83-F168 HydrophobicContact CG1-CE2 4.16Å; V83-F168 HydrophobicContact CG1-CZ 3.45Å; V83-F168 VanDerWaalsContact CG1-CZ 3.45Å; V83-F168 HydrophobicContact CG2-CD2 4.04Å; V83-F168 HydrophobicContact CG2-CE1 4.39Å; V83-F168 HydrophobicContact CG2-CE2 3.52Å; V83-F168 HydrophobicContact CG2-CZ 3.73Å; V83-F168 PolarHBondContact N-O 3.42Å; V83-F168 PolarHBondContact O-N 3.18Å; V83-I170 HydrophobicContact CG2-CD1 3.62Å; V83-I170 HydrophobicContact CG2-CG1 4.08Å
84Y97.2Very high88.8Confident78 Ų7850.6 Ų50.631%0.30628%0.275SS..EExtended strand (participates in β ladder)trans-104.3133.9172.4-56-101.5000108F63 H64 E66 K82 C166 V167F63-Y84 VanDerWaalsContact CA-O 3.32Å; F63-Y84 WeakPolarHBondContact CA-O 3.24Å; H64-Y84 HydrophobicContact CB-CD2 4.46Å; H64-Y84 AromaticContact CD2-CD2 3.64Å; H64-Y84 PolarHBondContact N-O 3.05Å; H64-Y84 PolarHBondContact O-N 3.31Å; E66-Y84 HydrophobicContact CG-CE2 3.87Å; E66-Y84 VanDerWaalsContact OE1-CE2 3.22Å; E66-Y84 WeakPolarHBondContact OE1-CE2 3.44Å; E66-Y84 PolarHBondContact OE1-OH 3.06Å; K82-Y84 HydrophobicContact CB-CE2 3.84Å; Y84-C166 CarbonylContact C-O 3.52Å; Y84-C166 WeakPolarHBondContact CA-O 3.48Å; Y84-V167 HydrophobicContact CD1-CB 4.37Å; Y84-V167 HydrophobicContact CD1-CG1 4.01Å; Y84-V167 HydrophobicContact CD1-CG2 3.48Å; Y84-V167 VanDerWaalsContact CD1-CG2 3.48Å; Y84-V167 HydrophobicContact CE1-CG1 3.89Å; Y84-V167 HydrophobicContact CE1-CG2 3.88Å; Y84-V167 HydrophobicContact CG-CG2 4.35Å
85V97.1Very high89.3Confident5 Ų551.3 Ų51.33%0.0326%0.256CS..EExtended strand (participates in β ladder)trans-127.9131.9178.3-170.10000108.2F61 S62 F63 V83 V112 R165 C166 F168F61-V85 HydrophobicContact CD1-CG1 3.94Å; S62-V85 WeakPolarHBondContact O-CA 3.3Å; F63-V85 HydrophobicContact CD1-CG1 4.42Å; F63-V85 HydrophobicContact CD1-CG2 3.67Å; F63-V85 HydrophobicContact CE1-CB 4.4Å; F63-V85 HydrophobicContact CE1-CG1 4.03Å; F63-V85 HydrophobicContact CE1-CG2 3.53Å; F63-V85 HydrophobicContact CE2-CG1 4.24Å; F63-V85 HydrophobicContact CZ-CG1 3.93Å; F63-V85 HydrophobicContact CZ-CG2 4.28Å; V83-V85 HydrophobicContact CG1-CG2 4.15Å; V85-V112 HydrophobicContact CG1-CG1 4.19Å; V85-V112 HydrophobicContact CG1-CG2 4.22Å; V85-V112 HydrophobicContact CG2-CG2 4.19Å; V85-R165 CarbonylContact O-C 3.53Å; V85-R165 VanDerWaalsContact O-CA 3.27Å; V85-R165 WeakPolarHBondContact O-CA 3.43Å; V85-C166 HydrophobicContact CB-CB 4.19Å; V85-C166 PolarHBondContact N-O 2.99Å; V85-C166 PolarHBondContact O-N 3.1Å; V85-F168 HydrophobicContact CG2-CE1 3.91Å
86D95.9Very high90Very high65 Ų6545.3 Ų45.335%0.34823%0.232SC..EExtended strand (participates in β ladder)trans-128.3128.8171.3-171.1-63.5000108.1F61 S62 R165F61-D86 CarbonylContact C-O 3.59Å; F61-D86 WeakPolarHBondContact CA-O 3.49Å; S62-D86 PolarHBondContact N-O 3.41Å; S62-D86 PolarHBondContact O-N 3.14Å; D86-R165 WeakPolarHBondContact OD2-CD 3.14Å; D86-R165 WeakPolarHBondContact OD2-CG 3.37Å; D86-R165 IonicContact OD2-CZ 2.68Å; D86-R165 IonicContact OD2-NE 3.42Å; D86-R165 PolarHBondContact OD2-NE 2.85Å
87G96.3Very high90.6Very high5 Ų552.9 Ų52.95%0.05225%0.252CS..EExtended strand (participates in β ladder)trans-173.7-177177.800000113.4T163 W164G87-T163 WeakPolarHBondContact O-CA 3.3Å; G87-W164 PolarHBondContact N-O 2.8Å; G87-W164 PolarHBondContact O-N 2.87Å
88P96.7Very high90.6Very high20 Ų2055.4 Ų55.413%0.1327%0.268CS..EExtended strand (participates in β ladder)trans-64.8144176.626.6-33.7000111.8H58 E59 F61 F90 N162H58-P88 HydrophobicContact CB-CG 4.41Å; E59-P88 WeakPolarHBondContact O-CD 3.46Å; F61-P88 HydrophobicContact CE2-CG 3.88Å; F61-P88 HydrophobicContact CZ-CG 3.94Å; F61-P88 VanDerWaalsContact CZ-O 3.31Å; F61-P88 WeakPolarHBondContact CZ-O 3.47Å; P88-F90 HydrophobicContact CB-CE1 4.32Å; P88-F90 HydrophobicContact CB-CE2 3.97Å; P88-F90 HydrophobicContact CB-CZ 3.82Å; P88-F90 HydrophobicContact CG-CD2 4.48Å; P88-F90 HydrophobicContact CG-CE1 4.34Å; P88-F90 HydrophobicContact CG-CE2 3.5Å; P88-F90 HydrophobicContact CG-CZ 3.4Å; P88-F90 VanDerWaalsContact CG-CZ 3.4Å; P88-N162 WeakPolarHBondContact CA-O 3.42Å
89L95Very high90.6Very high28 Ų2862.8 Ų62.815%0.14730%0.3CS..  trans-92.3123.9162.5179.863.8000108.7P130 F159 N162 W164L89-P130 HydrophobicContact CD1-CB 3.64Å; L89-P130 HydrophobicContact CD1-CG 3.88Å; L89-F159 HydrophobicContact CD1-CD1 4.46Å; L89-F159 HydrophobicContact CD1-CE1 3.98Å; L89-F159 HydrophobicContact CD2-CD1 3.83Å; L89-F159 HydrophobicContact CD2-CE1 4.09Å; L89-N162 PolarHBondContact N-O 3.07Å; L89-W164 HydrophobicContact CB-CB 4Å; L89-W164 HydrophobicContact CD1-CB 4.29Å
90F95.7Very high90.4Very high63 Ų6359.5 Ų59.528%0.27630%0.296SS..  trans-98.8-31.8177.9-63-80.4000113.4H58 F61 P88 D92 E110 H188H58-F90 HydrophobicContact CB-CE1 4.42Å; H58-F90 HydrophobicContact CB-CZ 4.35Å; H58-F90 AromaticContact CD2-CE1 3.75Å; H58-F90 AromaticContact CD2-CZ 3.51Å; H58-F90 AromaticContact CE1-CZ 3.74Å; H58-F90 AromaticContact CG-CZ 3.64Å; H58-F90 AromaticContact ND1-CZ 3.79Å; H58-F90 AromaticContact NE2-CZ 3.59Å; F61-F90 AromaticContact CE2-CE2 3.88Å; F61-F90 HydrophobicContact CE2-CE2 3.88Å; F61-F90 AromaticContact CZ-CE2 3.92Å; F61-F90 HydrophobicContact CZ-CE2 3.92Å; P88-F90 HydrophobicContact CB-CE1 4.32Å; P88-F90 HydrophobicContact CB-CE2 3.97Å; P88-F90 HydrophobicContact CB-CZ 3.82Å; P88-F90 HydrophobicContact CG-CD2 4.48Å; P88-F90 HydrophobicContact CG-CE1 4.34Å; P88-F90 HydrophobicContact CG-CE2 3.5Å; P88-F90 HydrophobicContact CG-CZ 3.4Å; P88-F90 VanDerWaalsContact CG-CZ 3.4Å; F90-D92 HydrophobicContact CB-CB 4.5Å; F90-D92 PolarHBondContact O-N 3.35Å; F90-E110 WeakPolarHBondContact CD2-OE1 3.25Å; F90-E110 PolarHBondContact N-OE1 2.99Å; F90-E110 PolarHBondContact N-OE2 3.09Å; F90-H188 HydrophobicContact CB-CB 4.13Å; F90-H188 AromaticContact CD1-ND1 3.9Å; F90-H188 HydrophobicContact CD2-CB 3.43Å; F90-H188 VanDerWaalsContact CD2-CB 3.43Å; F90-H188 AromaticContact CD2-CD2 3.78Å; F90-H188 AromaticContact CD2-CG 3.44Å; F90-H188 VanDerWaalsContact CD2-CG 3.44Å; F90-H188 AromaticContact CD2-ND1 3.93Å; F90-H188 AromaticContact CE1-CE1 3.74Å; F90-H188 AromaticContact CE1-ND1 3.86Å; F90-H188 HydrophobicContact CE2-CB 3.94Å; F90-H188 AromaticContact CE2-CD2 3.3Å; F90-H188 WeakPolarHBondContact CE2-CD2 3.36Å; F90-H188 AromaticContact CE2-CE1 3.9Å; F90-H188 AromaticContact CE2-CG 3.45Å; F90-H188 VanDerWaalsContact CE2-CG 3.45Å; F90-H188 AromaticContact CE2-ND1 3.87Å; F90-H188 AromaticContact CE2-NE2 3.61Å; F90-H188 HydrophobicContact CG-CB 3.83Å; F90-H188 AromaticContact CG-CG 3.87Å; F90-H188 AromaticContact CG-ND1 3.93Å; F90-H188 AromaticContact CZ-CD2 3.72Å; F90-H188 AromaticContact CZ-CE1 3.54Å; F90-H188 AromaticContact CZ-CG 3.89Å; F90-H188 AromaticContact CZ-ND1 3.84Å; F90-H188 AromaticContact CZ-NE2 3.49Å; F90-H188 WeakPolarHBondContact CZ-NE2 3.35Å
91D91.9Very high90.1Very high81 Ų8159.8 Ų59.843%0.43330%0.3SS..  trans47.434.5-167.6-72.6-38000112.1P93 E110 H131D91-P93 CarbonylContact C-O 3.52Å; D91-P93 CarbonylContact O-C 3.58Å; D91-E110 WeakPolarHBondContact CA-OE2 3.48Å; D91-E110 PolarHBondContact N-OE2 3.39Å; D91-H131 IonicContact OD1-CE1 3.71Å; D91-H131 PolarHBondContact OD1-CE1 3.14Å; D91-H131 VanDerWaalsContact OD1-CE1 3.23Å; D91-H131 IonicContact OD1-NE2 3.73Å
92D94.5Very high89.8Confident47 Ų4762.7 Ų62.725%0.25131%0.314SS..  trans-133116.2178.1-170.117.7000110.5F90 G189 S190F90-D92 HydrophobicContact CB-CB 4.5Å; F90-D92 PolarHBondContact O-N 3.35Å; D92-G189 WeakPolarHBondContact O-CA 3.3Å; D92-G189 PolarHBondContact O-N 2.86Å; D92-G189 WeakPolarHBondContact OD2-CA 3.37Å; D92-S190 VanDerWaalsContact CG-N 3.29Å; D92-S190 VanDerWaalsContact OD1-CB 3.23Å; D92-S190 WeakPolarHBondContact OD1-CB 3.26Å; D92-S190 PolarHBondContact OD1-N 2.81Å; D92-S190 VanDerWaalsContact OD1-N 3.15Å; D92-S190 PolarHBondContact OD1-OG 2.82Å; D92-S190 PolarHBondContact OD2-N 3.08Å; D92-S190 VanDerWaalsContact OD2-N 3.07Å
93P93.3Very high89.5Confident15 Ų1561.7 Ų61.710%0.09731%0.31CS..SBendcis-64.7164.4-2.531.7-40.2000113.7D91 D108 Q109 S190D91-P93 CarbonylContact C-O 3.52Å; D91-P93 CarbonylContact O-C 3.58Å; P93-D108 VanDerWaalsContact CG-O 3.29Å; P93-D108 WeakPolarHBondContact CG-O 3.23Å; P93-Q109 HydrophobicContact CG-CB 4.47Å; P93-S190 WeakPolarHBondContact CA-OG 3.5Å; P93-S190 WeakPolarHBondContact CB-OG 3.49Å
94P88.4Confident89.2Confident96 Ų9665 Ų6562%0.62333%0.331SS*.  trans-57.4158177.1-23.433.3000113.4Q109P94-Q109 PolarHBondContact O-OE1 2.98Å
95E85.9Confident89Confident99 Ų9964.9 Ų64.946%0.46334%0.339SS..  trans-42129.3177.5-177.9161.6161.600112.9H131 R294E95-H131 HydrophobicContact CG-CB 3.91Å; E95-H131 WeakPolarHBondContact CG-ND1 3.31Å; E95-H131 IonicContact OE2-CE1 3.66Å; E95-H131 IonicContact OE2-CG 3.64Å; E95-H131 IonicContact OE2-ND1 2.74Å; E95-H131 PolarHBondContact OE2-ND1 2.87Å; E95-R294 IonicContact OE2-NH2 2.88Å; E95-R294 PolarHBondContact OE2-NH2 2.88Å; E95-R294 VanDerWaalsContact OE2-NH2 3.12Å
96P83.2Confident88.8Confident21 Ų2164.7 Ų64.714%0.13634%0.338CS..  trans-57.6147.2174-24.233.5000112.1D98 Q109P96-D98 PolarHBondContact O-N 3.4Å; P96-Q109 HydrophobicContact CG-CG 3.88Å
97Y76.8Confident88.8Confident238 Ų23863.4 Ų63.493%0.93333%0.329SS*.SBendtrans-67.4-24.3178.4-68.2-78.2000113.8
98D76.5Confident88.6Confident123 Ų12368.3 Ų68.366%0.65835%0.353SS*.SBendtrans-78.3145.9179.9-66.6-45.8000111P96 H133P96-D98 PolarHBondContact O-N 3.4Å; D98-H133 PolarHBondContact O-CE1 3.21Å; D98-H133 PolarHBondContact O-NE2 3.02Å
99F78Confident88.5Confident203 Ų20369.2 Ų69.289%0.8936%0.356SS*.PPolyproline II helixtrans-55.2153.8169.8-67.9-75.3000110.9G101 H133F99-G101 PolarHBondContact O-N 3.41Å; F99-H133 PolarHBondContact O-NE2 3.14Å
100G78.9Confident88.6Confident26 Ų2668 Ų6827%0.26835%0.35SS..SBendtrans-49.1140.9172.700000111.3Q290G100-Q290 VanDerWaalsContact C-OE1 3.25Å; G100-Q290 VanDerWaalsContact CA-NE2 3.27Å; G100-Q290 PolarHBondContact O-OE1 3.32Å
101G85Confident88.7Confident13 Ų1365.1 Ų65.113%0.13434%0.337CS..SBendtrans158.4-165-173.200000113.2F99 C103 H133 W134F99-G101 PolarHBondContact O-N 3.41Å; G101-C103 PolarHBondContact O-N 3.37Å; G101-H133 CarbonylContact O-C 3.52Å; G101-H133 WeakPolarHBondContact O-CA 3.5Å; G101-W134 VanDerWaalsContact CA-CH2 3.42Å; G101-W134 VanDerWaalsContact CA-CZ3 3.43Å; G101-W134 PolarHBondContact O-N 3.42Å
102H87.3Confident89Confident61 Ų6161.2 Ų61.228%0.28232%0.316SS..BIsolated β-bridgetrans-58.5127.3167.8175.6-95.5000111.5W134 E149H102-W134 CarbonylContact C-O 3.55Å; H102-W134 WeakPolarHBondContact CA-O 3.41Å; H102-E149 PolarHBondContact NE2-O 3.42Å
103C89.6Confident89.2Confident9 Ų959 Ų596%0.06130%0.304CS..  trans-134.1101.3-178-177.70000111.3G101 T105 I106 H133 W134G101-C103 PolarHBondContact O-N 3.37Å; C103-T105 PolarHBondContact O-N 3.44Å; C103-T105 VanDerWaalsContact O-N 3.17Å; C103-I106 HydrophobicContact CB-CB 4.21Å; C103-I106 WeakPolarHBondContact O-CB 3.43Å; C103-I106 PolarHBondContact O-N 3.22Å; C103-H133 HydrophobicContact CB-CB 3.67Å; C103-W134 PolarHBondContact N-O 3.46Å
104P90.3Very high89.4Confident68 Ų6858.3 Ų58.344%0.44230%0.3SS..THydrogen-bonded Turntrans-59.8-26.7-179.5-23.131.3000114.7R137P104-R137 PolarHBondContact O-NH2 2.86Å; P104-R137 VanDerWaalsContact O-NH2 3.12Å
105T91.9Very high89.8Confident76 Ų7653.8 Ų53.847%0.46627%0.27SS..THydrogen-bonded Turntrans-101.819.9-176.356.80000112.5C103 Y107 D108C103-T105 PolarHBondContact O-N 3.44Å; C103-T105 VanDerWaalsContact O-N 3.17Å; T105-Y107 PolarHBondContact O-N 3.36Å; T105-Y107 VanDerWaalsContact O-N 3.14Å; T105-D108 WeakPolarHBondContact O-CB 3.03Å; T105-D108 PolarHBondContact O-N 2.8Å
106I93.7Very high90.4Very high1 Ų149 Ų491%0.00525%0.248CC..G310 helixtrans-58.2-29.6-176.1-165167000113.6C103 D108 Q109 C111 A127 H133 L135C103-I106 HydrophobicContact CB-CB 4.21Å; C103-I106 WeakPolarHBondContact O-CB 3.43Å; C103-I106 PolarHBondContact O-N 3.22Å; I106-D108 PolarHBondContact O-N 2.75Å; I106-Q109 WeakPolarHBondContact O-CA 3.41Å; I106-Q109 WeakPolarHBondContact O-CB 3.44Å; I106-Q109 PolarHBondContact O-N 3.23Å; I106-C111 HydrophobicContact CD1-CB 4.31Å; I106-C111 HydrophobicContact CG1-CB 3.83Å; I106-C111 PolarHBondContact O-SG 3.16Å; I106-A127 HydrophobicContact CD1-CB 4.18Å; I106-A127 HydrophobicContact CG2-CB 3.66Å; I106-H133 HydrophobicContact CD1-CB 4.2Å; I106-H133 VanDerWaalsContact CD1-O 3.3Å; I106-H133 WeakPolarHBondContact CD1-O 3.39Å; I106-L135 HydrophobicContact CB-CB 4.44Å; I106-L135 HydrophobicContact CG2-CB 3.54Å; I106-L135 HydrophobicContact CG2-CD2 3.73Å; I106-L135 HydrophobicContact CG2-CG 4.32Å
107Y95Very high90.9Very high39 Ų3948 Ų4815%0.15324%0.242CC..G310 helixtrans-71.3-7.4176.4-67.2-81.5000114T105 D125 A127 L135 L187 R194 L214T105-Y107 PolarHBondContact O-N 3.36Å; T105-Y107 VanDerWaalsContact O-N 3.14Å; Y107-D125 PolarHBondContact OH-OD1 3.44Å; Y107-D125 PolarHBondContact OH-OD2 2.91Å; Y107-A127 HydrophobicContact CE1-CB 4.18Å; Y107-A127 HydrophobicContact CE2-CB 4.25Å; Y107-L135 HydrophobicContact CD2-CD2 4.12Å; Y107-L135 HydrophobicContact CE2-CD2 3.71Å; Y107-L187 HydrophobicContact CD1-CD1 4.24Å; Y107-L187 HydrophobicContact CD1-CD2 4.01Å; Y107-R194 PolarHBondContact O-NH2 3.25Å; Y107-L214 HydrophobicContact CD1-CD1 3.95Å; Y107-L214 HydrophobicContact CE1-CD1 3.88Å
108D93.8Very high91.7Very high107 Ų10736.8 Ų36.857%0.57220%0.198SC*.G310 helixtrans-88.8-15.6167.8-59.1-41.5000111.4P93 T105 I106 R194P93-D108 VanDerWaalsContact CG-O 3.29Å; P93-D108 WeakPolarHBondContact CG-O 3.23Å; T105-D108 WeakPolarHBondContact O-CB 3.03Å; T105-D108 PolarHBondContact O-N 2.8Å; I106-D108 PolarHBondContact O-N 2.75Å; D108-R194 PolarHBondContact O-NH1 2.8Å
109Q94.6Very high92.5Very high39 Ų3936.2 Ų36.218%0.18220%0.195CC..SBendtrans-98.9171-177.6-56-60.6-43.700112P93 P94 P96 I106 C111 R194P93-Q109 HydrophobicContact CG-CB 4.47Å; P94-Q109 PolarHBondContact O-OE1 2.98Å; P96-Q109 HydrophobicContact CG-CG 3.88Å; I106-Q109 WeakPolarHBondContact O-CA 3.41Å; I106-Q109 WeakPolarHBondContact O-CB 3.44Å; I106-Q109 PolarHBondContact O-N 3.23Å; Q109-C111 PolarHBondContact O-N 3.23Å; Q109-R194 PolarHBondContact O-NH1 2.89Å; Q109-R194 PolarHBondContact O-NH2 3.28Å
110E96.7Very high93.1Very high3 Ų333.7 Ų33.71%0.01418%0.183CC..SBendtrans-62.5120.9166-176.9179-179.400109.3F90 D91 G129 P130 L187 H188F90-E110 WeakPolarHBondContact CD2-OE1 3.25Å; F90-E110 PolarHBondContact N-OE1 2.99Å; F90-E110 PolarHBondContact N-OE2 3.09Å; D91-E110 WeakPolarHBondContact CA-OE2 3.48Å; D91-E110 PolarHBondContact N-OE2 3.39Å; E110-G129 WeakPolarHBondContact O-CA 3.08Å; E110-P130 HydrophobicContact CB-CG 4.28Å; E110-P130 HydrophobicContact CG-CG 4.17Å; E110-P130 WeakPolarHBondContact O-CD 3.16Å; E110-L187 CarbonylContact C-O 3.51Å; E110-L187 VanDerWaalsContact CA-O 3.32Å; E110-L187 WeakPolarHBondContact CA-O 3.47Å; E110-H188 HydrophobicContact CG-CB 4.21Å
111C97.5Very high93.6Very high2 Ų234 Ų341%0.01418%0.182CC..EExtended strand (participates in β ladder)trans-156.6160.7178.263.10000113.1I106 Q109 V128 L187I106-C111 HydrophobicContact CD1-CB 4.31Å; I106-C111 HydrophobicContact CG1-CB 3.83Å; I106-C111 PolarHBondContact O-SG 3.16Å; Q109-C111 PolarHBondContact O-N 3.23Å; C111-V128 CarbonylContact C-O 3.55Å; C111-V128 VanDerWaalsContact CA-O 3.23Å; C111-V128 WeakPolarHBondContact CA-O 3.46Å; C111-V128 VanDerWaalsContact CB-O 3.24Å; C111-V128 WeakPolarHBondContact CB-O 3.35Å; C111-L187 PolarHBondContact N-O 3.48Å; C111-L187 PolarHBondContact O-N 3.08Å
112V98.2Very high93.9Very high0 Ų035 Ų350%018%0.183CC..EExtended strand (participates in β ladder)trans-113.2148.8163.7-64.90000109.7F61 F63 V85 A127 V128 W164 F185 A186F61-V112 HydrophobicContact CD1-CG1 3.8Å; F61-V112 HydrophobicContact CE1-CG1 3.88Å; F61-V112 HydrophobicContact CG-CG1 4.33Å; F61-V112 HydrophobicContact CZ-CG1 4.44Å; F63-V112 HydrophobicContact CE1-CB 4.36Å; F63-V112 HydrophobicContact CE1-CG2 4.49Å; F63-V112 HydrophobicContact CZ-CB 3.93Å; F63-V112 HydrophobicContact CZ-CG1 4.14Å; F63-V112 HydrophobicContact CZ-CG2 4.48Å; V85-V112 HydrophobicContact CG1-CG1 4.19Å; V85-V112 HydrophobicContact CG1-CG2 4.22Å; V85-V112 HydrophobicContact CG2-CG2 4.19Å; V112-A127 CarbonylContact O-C 3.54Å; V112-A127 VanDerWaalsContact O-CA 3.25Å; V112-A127 WeakPolarHBondContact O-CA 2.8Å; V112-V128 HydrophobicContact CG2-CG2 3.49Å; V112-V128 VanDerWaalsContact CG2-CG2 3.49Å; V112-V128 PolarHBondContact N-O 2.74Å; V112-V128 PolarHBondContact O-N 3.5Å; V112-W164 HydrophobicContact CB-CH2 4.46Å; V112-W164 HydrophobicContact CG1-CH2 4.14Å; V112-W164 HydrophobicContact CG1-CZ3 3.92Å; V112-W164 HydrophobicContact CG2-CH2 3.86Å; V112-W164 HydrophobicContact CG2-CZ2 4.48Å; V112-W164 HydrophobicContact CG2-CZ3 4.48Å; V112-F185 CarbonylContact C-O 3.59Å; V112-F185 VanDerWaalsContact CA-O 3.28Å; V112-F185 WeakPolarHBondContact CA-O 3.23Å; V112-A186 HydrophobicContact CG1-CB 4.2Å
113S98Very high94.2Very high0 Ų032.2 Ų32.20%017%0.17CC..EExtended strand (participates in β ladder)trans-133.4146.1179.7167.50000111.7D125 I126 A184 F185S113-D125 PolarHBondContact OG-OD1 3.1Å; S113-D125 VanDerWaalsContact OG-OD1 3.07Å; S113-I126 CarbonylContact C-O 3.51Å; S113-I126 WeakPolarHBondContact CA-O 3.42Å; S113-I126 VanDerWaalsContact CB-O 3.29Å; S113-I126 WeakPolarHBondContact CB-O 3.35Å; S113-I126 PolarHBondContact OG-O 3.02Å; S113-A184 CarbonylContact O-C 3.52Å; S113-A184 WeakPolarHBondContact O-CA 3.32Å; S113-A184 WeakPolarHBondContact O-CB 3.24Å; S113-F185 PolarHBondContact N-O 3.19Å; S113-F185 PolarHBondContact O-N 2.73Å
114V97.9Very high94.4Very high0 Ų031.8 Ų31.80%017%0.167CC..EExtended strand (participates in β ladder)trans-129.8131.8171-174.30000108.5F63 V83 F116 I126 F168 N183 A184F63-V114 HydrophobicContact CD1-CG2 4.08Å; F63-V114 HydrophobicContact CE1-CG2 3.81Å; V83-V114 HydrophobicContact CG1-CG2 4.41Å; V114-F116 HydrophobicContact CB-CE2 4.37Å; V114-F116 HydrophobicContact CG1-CD2 4.24Å; V114-F116 HydrophobicContact CG1-CE1 4.45Å; V114-F116 HydrophobicContact CG1-CE2 3.49Å; V114-F116 VanDerWaalsContact CG1-CE2 3.49Å; V114-F116 HydrophobicContact CG1-CZ 3.62Å; V114-I126 PolarHBondContact N-O 3.18Å; V114-I126 VanDerWaalsContact O-CD1 3.31Å; V114-I126 WeakPolarHBondContact O-CD1 3.13Å; V114-I126 PolarHBondContact O-N 3.17Å; V114-F168 HydrophobicContact CG2-CZ 4.14Å; V114-N183 WeakPolarHBondContact CA-O 3.22Å; V114-A184 HydrophobicContact CG2-CB 4.25Å
115V97.4Very high94.7Very high1 Ų128.7 Ų28.71%0.00615%0.147CC..EExtended strand (participates in β ladder)trans-123.4129.9-177.2-165.20000110.2Y123 L124 D125 Y182 N183 F185 Y220V115-Y123 HydrophobicContact CG1-CD2 3.88Å; V115-L124 CarbonylContact C-O 3.57Å; V115-L124 VanDerWaalsContact CA-O 3.24Å; V115-L124 WeakPolarHBondContact CA-O 3.35Å; V115-L124 VanDerWaalsContact CG1-O 3.31Å; V115-L124 WeakPolarHBondContact CG1-O 2.98Å; V115-D125 HydrophobicContact CG1-CB 4.32Å; V115-D125 HydrophobicContact CG2-CB 4.43Å; V115-D125 WeakPolarHBondContact CG2-OD1 3.22Å; V115-Y182 CarbonylContact O-C 3.56Å; V115-Y182 WeakPolarHBondContact O-CA 3.37Å; V115-Y182 VanDerWaalsContact O-CB 3.26Å; V115-Y182 WeakPolarHBondContact O-CB 3.38Å; V115-N183 PolarHBondContact N-O 3.14Å; V115-N183 PolarHBondContact O-N 3.33Å; V115-F185 HydrophobicContact CG2-CD2 4.38Å; V115-F185 HydrophobicContact CG2-CE2 3.99Å; V115-Y220 HydrophobicContact CB-CE2 3.66Å; V115-Y220 HydrophobicContact CG1-CE2 3.61Å
116F96.9Very high94.9Very high0 Ų025 Ų250%012%0.124CC..EExtended strand (participates in β ladder)trans-116.4128.4176.2-62.3-85.7000110.4L65 V114 Y123 L124 I126 I170 F175 V179 I223 L228L65-F116 HydrophobicContact CD2-CE1 4.21Å; L65-F116 HydrophobicContact CD2-CZ 3.66Å; V114-F116 HydrophobicContact CB-CE2 4.37Å; V114-F116 HydrophobicContact CG1-CD2 4.24Å; V114-F116 HydrophobicContact CG1-CE1 4.45Å; V114-F116 HydrophobicContact CG1-CE2 3.49Å; V114-F116 VanDerWaalsContact CG1-CE2 3.49Å; V114-F116 HydrophobicContact CG1-CZ 3.62Å; F116-Y123 CarbonylContact O-C 3.47Å; F116-Y123 WeakPolarHBondContact O-CA 3.36Å; F116-Y123 VanDerWaalsContact O-CB 3.28Å; F116-Y123 WeakPolarHBondContact O-CB 3.46Å; F116-L124 PolarHBondContact N-O 2.93Å; F116-L124 PolarHBondContact O-N 3.16Å; F116-I126 HydrophobicContact CD2-CD1 4.14Å; F116-I126 HydrophobicContact CE2-CD1 4.26Å; F116-I170 HydrophobicContact CE2-CD1 3.75Å; F116-I170 HydrophobicContact CZ-CD1 4.45Å; F116-F175 HydrophobicContact CB-CD1 4.21Å; F116-F175 HydrophobicContact CB-CE1 4.28Å; F116-F175 HydrophobicContact CD1-CD1 4.46Å; F116-F175 AromaticContact CD1-CE1 3.88Å; F116-F175 HydrophobicContact CD1-CE1 3.88Å; F116-F175 HydrophobicContact CD2-CD1 4.23Å; F116-F175 AromaticContact CD2-CE1 3.55Å; F116-F175 HydrophobicContact CD2-CE1 3.55Å; F116-F175 HydrophobicContact CD2-CZ 4.3Å; F116-F175 HydrophobicContact CE1-CE1 4.02Å; F116-F175 AromaticContact CE2-CE1 3.7Å; F116-F175 HydrophobicContact CE2-CE1 3.7Å; F116-F175 HydrophobicContact CE2-CZ 4.1Å; F116-F175 HydrophobicContact CG-CD1 4.05Å; F116-F175 AromaticContact CG-CE1 3.62Å; F116-F175 HydrophobicContact CG-CE1 3.62Å; F116-F175 AromaticContact CZ-CE1 3.93Å; F116-F175 HydrophobicContact CZ-CE1 3.93Å; F116-F175 HydrophobicContact CZ-CZ 4.35Å; F116-V179 HydrophobicContact CB-CG1 3.93Å; F116-V179 HydrophobicContact CD1-CG1 4.15Å; F116-I223 HydrophobicContact CD1-CD1 4.21Å; F116-I223 HydrophobicContact CE1-CD1 3.9Å; F116-L228 HydrophobicContact CE1-CD1 4.43Å
117A95.7Very high95.1Very high0 Ų025 Ų250%012%0.124CC..EExtended strand (participates in β ladder)trans-133.3156.7-176.600000112.7Q122 T180 R181 I217 Y220A117-Q122 WeakPolarHBondContact CA-O 3.46Å; A117-T180 PolarHBondContact O-N 2.84Å; A117-R181 HydrophobicContact CB-CG 3.69Å; A117-R181 PolarHBondContact N-O 2.7Å; A117-R181 PolarHBondContact O-N 3.43Å; A117-R181 VanDerWaalsContact O-N 3.09Å; A117-I217 HydrophobicContact CB-CB 4.34Å; A117-I217 HydrophobicContact CB-CG2 4.2Å; A117-Y220 HydrophobicContact CB-CD2 4.44Å
118N93.6Very high95.2Very high2 Ų223.1 Ų23.11%0.01112%0.117CC..EExtended strand (participates in β ladder)trans-117.9179.9173.773.614.1000112.3K120 S121 Q122 A177 A178N118-K120 PolarHBondContact O-N 3.23Å; N118-K120 WeakPolarHBondContact OD1-CA 3.39Å; N118-K120 WeakPolarHBondContact OD1-CB 3.5Å; N118-K120 PolarHBondContact OD1-N 3.45Å; N118-S121 PolarHBondContact OD1-N 3.17Å; N118-Q122 PolarHBondContact N-O 2.68Å; N118-Q122 PolarHBondContact ND2-OE1 2.97Å; N118-Q122 WeakPolarHBondContact OD1-CB 3.4Å; N118-Q122 PolarHBondContact OD1-N 2.62Å; N118-Q122 VanDerWaalsContact OD1-N 3.09Å; N118-Q122 PolarHBondContact OD1-O 3.49Å; N118-A177 WeakPolarHBondContact CB-O 3.34Å; N118-A177 PolarHBondContact ND2-O 3.26Å; N118-A178 WeakPolarHBondContact CB-O 2.91Å
119N92Very high95.2Very high111 Ų11118.2 Ų18.259%0.5949%0.091SC*.THydrogen-bonded Turntrans-77.6-2.8179.2-63.7-11.9000114T180 R181N119-T180 PolarHBondContact OD1-OG1 2.97Å; N119-R181 PolarHBondContact OD1-NH2 3.32Å
120K90.1Very high95.1Very high149 Ų14916.4 Ų16.465%0.6488%0.083SC*.THydrogen-bonded Turntrans-97.114.6179.8-60.5179.7-179.9174.10112.6N118 Q122N118-K120 PolarHBondContact O-N 3.23Å; N118-K120 WeakPolarHBondContact OD1-CA 3.39Å; N118-K120 WeakPolarHBondContact OD1-CB 3.5Å; N118-K120 PolarHBondContact OD1-N 3.45Å; K120-Q122 HydrophobicContact CB-CG 4.35Å; K120-Q122 PolarHBondContact O-N 3.04Å
121S89.3Confident94.7Very high34 Ų3417.1 Ų17.124%0.2389%0.086CC..SBendtrans57.436.8-174.3-49.10000112.2N118 G141N118-S121 PolarHBondContact OD1-N 3.17Å; S121-G141 PolarHBondContact O-N 3.33Å
122Q91.9Very high94.2Very high34 Ų3417.1 Ų17.116%0.1599%0.086CC..EExtended strand (participates in β ladder)trans-110.4133.4171.4-66.2176.7-40.600108.1A117 N118 K120 F139 P176 W239A117-Q122 WeakPolarHBondContact CA-O 3.46Å; N118-Q122 PolarHBondContact N-O 2.68Å; N118-Q122 PolarHBondContact ND2-OE1 2.97Å; N118-Q122 WeakPolarHBondContact OD1-CB 3.4Å; N118-Q122 PolarHBondContact OD1-N 2.62Å; N118-Q122 VanDerWaalsContact OD1-N 3.09Å; N118-Q122 PolarHBondContact OD1-O 3.49Å; K120-Q122 HydrophobicContact CB-CG 4.35Å; K120-Q122 PolarHBondContact O-N 3.04Å; Q122-F139 VanDerWaalsContact CA-O 3.27Å; Q122-F139 WeakPolarHBondContact CA-O 3.3Å; Q122-P176 HydrophobicContact CB-CB 3.87Å; Q122-W239 HydrophobicContact CB-CH2 3.55Å; Q122-W239 HydrophobicContact CB-CZ3 3.82Å; Q122-W239 HydrophobicContact CG-CH2 4.02Å; Q122-W239 HydrophobicContact CG-CZ3 3.74Å
123Y93.1Very high93.8Very high2 Ų217.4 Ų17.41%0.0089%0.088CC..EExtended strand (participates in β ladder)trans-149.3151.2178.461.5-81.5000112.7V115 F116 F139 R144 H215 I217V115-Y123 HydrophobicContact CG1-CD2 3.88Å; F116-Y123 CarbonylContact O-C 3.47Å; F116-Y123 WeakPolarHBondContact O-CA 3.36Å; F116-Y123 VanDerWaalsContact O-CB 3.28Å; F116-Y123 WeakPolarHBondContact O-CB 3.46Å; Y123-F139 HydrophobicContact CD1-CB 3.58Å; Y123-F139 HydrophobicContact CD1-CG 4.34Å; Y123-F139 HydrophobicContact CD2-CB 3.96Å; Y123-F139 AromaticContact CD2-CD2 3.49Å; Y123-F139 HydrophobicContact CD2-CD2 3.49Å; Y123-F139 VanDerWaalsContact CD2-CD2 3.49Å; Y123-F139 HydrophobicContact CD2-CE2 4.19Å; Y123-F139 AromaticContact CD2-CG 3.95Å; Y123-F139 HydrophobicContact CD2-CG 3.95Å; Y123-F139 HydrophobicContact CE1-CB 3.24Å; Y123-F139 HydrophobicContact CE1-CD1 4.34Å; Y123-F139 HydrophobicContact CE1-CD2 4.31Å; Y123-F139 AromaticContact CE1-CG 3.77Å; Y123-F139 HydrophobicContact CE1-CG 3.77Å; Y123-F139 HydrophobicContact CE2-CB 3.69Å; Y123-F139 HydrophobicContact CE2-CD1 4.04Å; Y123-F139 AromaticContact CE2-CD2 3.07Å; Y123-F139 HydrophobicContact CE2-CD2 3.07Å; Y123-F139 HydrophobicContact CE2-CE1 4.41Å; Y123-F139 AromaticContact CE2-CE2 3.54Å; Y123-F139 HydrophobicContact CE2-CE2 3.54Å; Y123-F139 AromaticContact CE2-CG 3.34Å; Y123-F139 HydrophobicContact CE2-CG 3.34Å; Y123-F139 HydrophobicContact CE2-CZ 4.19Å; Y123-F139 HydrophobicContact CG-CB 3.91Å; Y123-F139 HydrophobicContact CG-CD2 4.27Å; Y123-F139 HydrophobicContact CG-CG 4.41Å; Y123-F139 AromaticContact CZ-CD1 3.64Å; Y123-F139 AromaticContact CZ-CD2 3.53Å; Y123-F139 AromaticContact CZ-CG 3.21Å; Y123-F139 PolarHBondContact N-O 2.85Å; Y123-F139 PolarHBondContact O-N 2.99Å; Y123-F139 WeakPolarHBondContact OH-CD1 3.49Å; Y123-F139 WeakPolarHBondContact OH-CG 3.47Å; Y123-R144 HydrophobicContact CE1-CG 4.2Å; Y123-R144 VanDerWaalsContact OH-CB 3.23Å; Y123-R144 WeakPolarHBondContact OH-CB 3.32Å; Y123-R144 WeakPolarHBondContact OH-CD 3.48Å; Y123-R144 VanDerWaalsContact OH-CG 3.26Å; Y123-R144 WeakPolarHBondContact OH-CG 3.37Å; Y123-H215 HydrophobicContact CE2-CB 4.35Å; Y123-H215 AromaticContact CE2-CD2 3.93Å; Y123-H215 AromaticContact CE2-CG 3.94Å; Y123-I217 HydrophobicContact CD1-CG2 4.33Å; Y123-I217 HydrophobicContact CG-CG2 4.35Å
124L94.8Very high93.6Very high0 Ų017.6 Ų17.60%09%0.088CC..EExtended strand (participates in β ladder)trans-110.8124.4175.5173.869.3000107.3V115 F116 I126 V136 R137 M138 I170 F175V115-L124 CarbonylContact C-O 3.57Å; V115-L124 VanDerWaalsContact CA-O 3.24Å; V115-L124 WeakPolarHBondContact CA-O 3.35Å; V115-L124 VanDerWaalsContact CG1-O 3.31Å; V115-L124 WeakPolarHBondContact CG1-O 2.98Å; F116-L124 PolarHBondContact N-O 2.93Å; F116-L124 PolarHBondContact O-N 3.16Å; L124-I126 HydrophobicContact CD1-CD1 4.41Å; L124-I126 HydrophobicContact CD1-CG1 4.47Å; L124-I126 HydrophobicContact CD2-CD1 3.64Å; L124-I126 HydrophobicContact CD2-CG1 4.33Å; L124-I126 HydrophobicContact CG-CD1 3.55Å; L124-I126 HydrophobicContact CG-CG1 4.12Å; L124-V136 HydrophobicContact CD1-CG1 3.83Å; L124-R137 WeakPolarHBondContact CA-O 3.48Å; L124-M138 HydrophobicContact CD1-CE 4.46Å; L124-M138 HydrophobicContact CD1-CG 3.97Å; L124-I170 HydrophobicContact CD2-CG2 3.85Å; L124-F175 HydrophobicContact CD2-CD1 4.45Å; L124-F175 HydrophobicContact CD2-CG 4.44Å
125D96Very high93.4Very high2 Ų217.6 Ų17.61%0.0119%0.088CC..EExtended strand (participates in β ladder)trans-115.8120.1178.7-172.85.4000108.9Y107 S113 V115 V136 R137 F139 H215Y107-D125 PolarHBondContact OH-OD1 3.44Å; Y107-D125 PolarHBondContact OH-OD2 2.91Å; S113-D125 PolarHBondContact OG-OD1 3.1Å; S113-D125 VanDerWaalsContact OG-OD1 3.07Å; V115-D125 HydrophobicContact CG1-CB 4.32Å; V115-D125 HydrophobicContact CG2-CB 4.43Å; V115-D125 WeakPolarHBondContact CG2-OD1 3.22Å; D125-V136 CarbonylContact O-C 3.58Å; D125-V136 WeakPolarHBondContact O-CA 3.27Å; D125-R137 HydrophobicContact CB-CB 4.43Å; D125-R137 PolarHBondContact N-O 3.05Å; D125-R137 PolarHBondContact O-N 2.62Å; D125-F139 HydrophobicContact CB-CD2 4.37Å; D125-F139 HydrophobicContact CB-CE2 3.81Å; D125-H215 IonicContact OD2-CD2 3.82Å; D125-H215 IonicContact OD2-CE1 3.43Å; D125-H215 IonicContact OD2-NE2 2.84Å; D125-H215 PolarHBondContact OD2-NE2 3.32Å
126I97.7Very high93.3Very high0 Ų017.6 Ų17.60%09%0.088CC..EExtended strand (participates in β ladder)trans-119132.3178.5-52.696.7000107.7S113 V114 F116 L124 V128 L135 V136 L153 F168 I170S113-I126 CarbonylContact C-O 3.51Å; S113-I126 WeakPolarHBondContact CA-O 3.42Å; S113-I126 VanDerWaalsContact CB-O 3.29Å; S113-I126 WeakPolarHBondContact CB-O 3.35Å; S113-I126 PolarHBondContact OG-O 3.02Å; V114-I126 PolarHBondContact N-O 3.18Å; V114-I126 VanDerWaalsContact O-CD1 3.31Å; V114-I126 WeakPolarHBondContact O-CD1 3.13Å; V114-I126 PolarHBondContact O-N 3.17Å; F116-I126 HydrophobicContact CD2-CD1 4.14Å; F116-I126 HydrophobicContact CE2-CD1 4.26Å; L124-I126 HydrophobicContact CD1-CD1 4.41Å; L124-I126 HydrophobicContact CD1-CG1 4.47Å; L124-I126 HydrophobicContact CD2-CD1 3.64Å; L124-I126 HydrophobicContact CD2-CG1 4.33Å; L124-I126 HydrophobicContact CG-CD1 3.55Å; L124-I126 HydrophobicContact CG-CG1 4.12Å; I126-V128 HydrophobicContact CG2-CG1 4.47Å; I126-L135 CarbonylContact C-O 3.55Å; I126-L135 WeakPolarHBondContact CA-O 3.39Å; I126-V136 HydrophobicContact CG1-CG1 4.39Å; I126-V136 HydrophobicContact CG1-CG2 4.35Å; I126-V136 HydrophobicContact CG2-CG2 3.99Å; I126-L153 HydrophobicContact CG2-CD2 3.73Å; I126-F168 HydrophobicContact CB-CE2 4.49Å; I126-F168 HydrophobicContact CG2-CD2 4.19Å; I126-F168 HydrophobicContact CG2-CE2 3.81Å; I126-I170 HydrophobicContact CD1-CD1 3.86Å; I126-I170 HydrophobicContact CD1-CG1 4.48Å; I126-I170 HydrophobicContact CG1-CD1 4.39Å
127A97.6Very high93.1Very high0 Ų019.6 Ų19.60%010%0.096CC..EExtended strand (participates in β ladder)trans-128.2141.8168.900000110.4I106 Y107 V112 W134 L135I106-A127 HydrophobicContact CD1-CB 4.18Å; I106-A127 HydrophobicContact CG2-CB 3.66Å; Y107-A127 HydrophobicContact CE1-CB 4.18Å; Y107-A127 HydrophobicContact CE2-CB 4.25Å; V112-A127 CarbonylContact O-C 3.54Å; V112-A127 VanDerWaalsContact O-CA 3.25Å; V112-A127 WeakPolarHBondContact O-CA 2.8Å; A127-W134 CarbonylContact O-C 3.47Å; A127-W134 WeakPolarHBondContact O-CA 3.47Å; A127-W134 WeakPolarHBondContact O-CB 3.28Å; A127-L135 HydrophobicContact CB-CB 4.49Å; A127-L135 PolarHBondContact N-O 3.05Å; A127-L135 PolarHBondContact O-N 3.3Å
128V96.2Very high92.8Very high0 Ų019.6 Ų19.60%010%0.096CC..EExtended strand (participates in β ladder)trans-136.4143.6176.2-61.90000110C111 V112 I126 H133 W134 L153 V155 W164 F168C111-V128 CarbonylContact C-O 3.55Å; C111-V128 VanDerWaalsContact CA-O 3.23Å; C111-V128 WeakPolarHBondContact CA-O 3.46Å; C111-V128 VanDerWaalsContact CB-O 3.24Å; C111-V128 WeakPolarHBondContact CB-O 3.35Å; V112-V128 HydrophobicContact CG2-CG2 3.49Å; V112-V128 VanDerWaalsContact CG2-CG2 3.49Å; V112-V128 PolarHBondContact N-O 2.74Å; V112-V128 PolarHBondContact O-N 3.5Å; I126-V128 HydrophobicContact CG2-CG1 4.47Å; V128-H133 CarbonylContact C-O 3.5Å; V128-H133 WeakPolarHBondContact CA-O 3.43Å; V128-W134 HydrophobicContact CG1-CB 3.99Å; V128-L153 HydrophobicContact CG1-CD2 3.43Å; V128-L153 VanDerWaalsContact CG1-CD2 3.43Å; V128-V155 HydrophobicContact CG1-CG1 4.49Å; V128-V155 HydrophobicContact CG1-CG2 4.02Å; V128-W164 WeakPolarHBondContact O-CH2 2.9Å; V128-F168 HydrophobicContact CG1-CB 4.31Å; V128-F168 HydrophobicContact CG1-CD1 4.09Å; V128-F168 HydrophobicContact CG1-CD2 4.46Å; V128-F168 HydrophobicContact CG1-CE1 4.48Å; V128-F168 HydrophobicContact CG1-CG 4.06Å; V128-F168 HydrophobicContact CG2-CD1 3.76Å; V128-F168 HydrophobicContact CG2-CE1 3.74Å
129G95Very high92.7Very high3 Ų319.9 Ų19.93%0.03110%0.097CC..  trans-117.4164.3178.200000112.6E110 H131 G132 H133 N157 W164E110-G129 WeakPolarHBondContact O-CA 3.08Å; G129-H131 VanDerWaalsContact C-N 3.26Å; G129-H131 PolarHBondContact O-N 3.42Å; G129-G132 PolarHBondContact O-N 3.15Å; G129-H133 PolarHBondContact N-O 3.41Å; G129-N157 PolarHBondContact O-ND2 3.33Å; G129-W164 VanDerWaalsContact C-CZ2 3.44Å
130P92.3Very high92.5Very high1 Ų116.4 Ų16.41%0.0068%0.081CC..THydrogen-bonded Turntrans-65.1-30.3-179.224.8-31.1000112.2L89 E110 G132 N157 F159 W164L89-P130 HydrophobicContact CD1-CB 3.64Å; L89-P130 HydrophobicContact CD1-CG 3.88Å; E110-P130 HydrophobicContact CB-CG 4.28Å; E110-P130 HydrophobicContact CG-CG 4.17Å; E110-P130 WeakPolarHBondContact O-CD 3.16Å; P130-G132 PolarHBondContact O-N 2.98Å; P130-G132 VanDerWaalsContact O-N 3.08Å; P130-N157 PolarHBondContact O-ND2 3.47Å; P130-F159 HydrophobicContact CB-CE1 3.8Å; P130-F159 HydrophobicContact CB-CZ 3.93Å; P130-F159 WeakPolarHBondContact O-CZ 3.35Å; P130-W164 HydrophobicContact CB-CD2 3.92Å; P130-W164 HydrophobicContact CB-CE3 4.34Å; P130-W164 HydrophobicContact CB-CG 4.19Å; P130-W164 HydrophobicContact CB-CZ2 4.28Å
131H88.3Confident92.2Very high19 Ų1910.4 Ų10.49%0.0886%0.062CC..THydrogen-bonded Turntrans-80.614.4-179.9-49.6-71.4000114D91 E95 G129 H133D91-H131 IonicContact OD1-CE1 3.71Å; D91-H131 PolarHBondContact OD1-CE1 3.14Å; D91-H131 VanDerWaalsContact OD1-CE1 3.23Å; D91-H131 IonicContact OD1-NE2 3.73Å; E95-H131 HydrophobicContact CG-CB 3.91Å; E95-H131 WeakPolarHBondContact CG-ND1 3.31Å; E95-H131 IonicContact OE2-CE1 3.66Å; E95-H131 IonicContact OE2-CG 3.64Å; E95-H131 IonicContact OE2-ND1 2.74Å; E95-H131 PolarHBondContact OE2-ND1 2.87Å; G129-H131 VanDerWaalsContact C-N 3.26Å; G129-H131 PolarHBondContact O-N 3.42Å; H131-H133 VanDerWaalsContact C-N 3.28Å; H131-H133 PolarHBondContact O-N 2.57Å
132G85.3Confident91.8Very high1 Ų118.2 Ų18.21%0.019%0.092CC..SBendtrans86.9-11.1177.700000113.6G129 P130 W134 N157 Q290G129-G132 PolarHBondContact O-N 3.15Å; P130-G132 PolarHBondContact O-N 2.98Å; P130-G132 VanDerWaalsContact O-N 3.08Å; G132-W134 VanDerWaalsContact O-CE3 3.23Å; G132-N157 PolarHBondContact N-ND2 3.16Å; G132-Q290 PolarHBondContact O-NE2 3.05Å
133H90.5Very high91.3Very high7 Ų719.3 Ų19.33%0.03211%0.112CC..  trans-62144.2178-56.489.1000112.4D98 F99 G101 C103 I106 V128 G129 H131D98-H133 PolarHBondContact O-CE1 3.21Å; D98-H133 PolarHBondContact O-NE2 3.02Å; F99-H133 PolarHBondContact O-NE2 3.14Å; G101-H133 CarbonylContact O-C 3.52Å; G101-H133 WeakPolarHBondContact O-CA 3.5Å; C103-H133 HydrophobicContact CB-CB 3.67Å; I106-H133 HydrophobicContact CD1-CB 4.2Å; I106-H133 VanDerWaalsContact CD1-O 3.3Å; I106-H133 WeakPolarHBondContact CD1-O 3.39Å; V128-H133 CarbonylContact C-O 3.5Å; V128-H133 WeakPolarHBondContact CA-O 3.43Å; G129-H133 PolarHBondContact N-O 3.41Å; H131-H133 VanDerWaalsContact C-N 3.28Å; H131-H133 PolarHBondContact O-N 2.57Å
134W94.3Very high91Very high3 Ų323.5 Ų23.51%0.01113%0.128CC..EExtended strand (participates in β ladder)trans-140.6165.4171.771.486.1000111.9G101 H102 C103 A127 V128 G132 L151 L153 V155 T288 Q290G101-W134 VanDerWaalsContact CA-CH2 3.42Å; G101-W134 VanDerWaalsContact CA-CZ3 3.43Å; G101-W134 PolarHBondContact O-N 3.42Å; H102-W134 CarbonylContact C-O 3.55Å; H102-W134 WeakPolarHBondContact CA-O 3.41Å; C103-W134 PolarHBondContact N-O 3.46Å; A127-W134 CarbonylContact O-C 3.47Å; A127-W134 WeakPolarHBondContact O-CA 3.47Å; A127-W134 WeakPolarHBondContact O-CB 3.28Å; V128-W134 HydrophobicContact CG1-CB 3.99Å; G132-W134 VanDerWaalsContact O-CE3 3.23Å; W134-L151 PolarHBondContact NE1-O 3.26Å; W134-L153 HydrophobicContact CB-CB 4.48Å; W134-L153 HydrophobicContact CB-CD2 4.11Å; W134-L153 HydrophobicContact CD2-CB 4.17Å; W134-L153 HydrophobicContact CG-CB 3.89Å; W134-L153 HydrophobicContact CG-CD2 4.39Å; W134-V155 HydrophobicContact CB-CG2 4.4Å; W134-V155 HydrophobicContact CE3-CG2 4.18Å; W134-T288 VanDerWaalsContact CH2-CB 3.46Å; W134-T288 HydrophobicContact CH2-CG2 3.61Å; W134-T288 WeakPolarHBondContact CH2-OG1 3.33Å; W134-T288 HydrophobicContact CZ2-CG2 3.51Å; W134-Q290 HydrophobicContact CZ3-CG 3.79Å; W134-Q290 VanDerWaalsContact CZ3-NE2 3.29Å
135L94.1Very high90.7Very high1 Ų128.2 Ų28.21%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-145.5135.7170.3178.963.8000108.5I106 Y107 I126 A127 R137 E149I106-L135 HydrophobicContact CB-CB 4.44Å; I106-L135 HydrophobicContact CG2-CB 3.54Å; I106-L135 HydrophobicContact CG2-CD2 3.73Å; I106-L135 HydrophobicContact CG2-CG 4.32Å; Y107-L135 HydrophobicContact CD2-CD2 4.12Å; Y107-L135 HydrophobicContact CE2-CD2 3.71Å; I126-L135 CarbonylContact C-O 3.55Å; I126-L135 WeakPolarHBondContact CA-O 3.39Å; A127-L135 HydrophobicContact CB-CB 4.49Å; A127-L135 PolarHBondContact N-O 3.05Å; A127-L135 PolarHBondContact O-N 3.3Å; L135-R137 HydrophobicContact CD1-CG 4.17Å; L135-R137 HydrophobicContact CG-CG 4.19Å; L135-E149 HydrophobicContact CD1-CG 3.92Å
136V94.3Very high90.2Very high0 Ų032 Ų320%017%0.169CC..EExtended strand (participates in β ladder)trans-134.2106.7179.9176.20000108.8L124 D125 I126 E149 L151 L153 Y174L124-V136 HydrophobicContact CD1-CG1 3.83Å; D125-V136 CarbonylContact O-C 3.58Å; D125-V136 WeakPolarHBondContact O-CA 3.27Å; I126-V136 HydrophobicContact CG1-CG1 4.39Å; I126-V136 HydrophobicContact CG1-CG2 4.35Å; I126-V136 HydrophobicContact CG2-CG2 3.99Å; V136-E149 CarbonylContact O-C 3.53Å; V136-E149 VanDerWaalsContact O-C 3.3Å; V136-E149 VanDerWaalsContact O-CA 3.32Å; V136-E149 WeakPolarHBondContact O-CA 3.45Å; V136-L151 HydrophobicContact CB-CB 3.72Å; V136-L151 HydrophobicContact CB-CD1 4.48Å; V136-L151 HydrophobicContact CG1-CB 3.63Å; V136-L151 HydrophobicContact CG1-CD1 3.68Å; V136-L151 HydrophobicContact CG1-CG 4.33Å; V136-L153 HydrophobicContact CG2-CB 4.37Å; V136-L153 HydrophobicContact CG2-CD1 4.29Å; V136-L153 HydrophobicContact CG2-CD2 4.32Å; V136-Y174 HydrophobicContact CG1-CD2 3.8Å; V136-Y174 HydrophobicContact CG1-CE2 4.02Å
137R92.1Very high89.6Confident42 Ų4235.5 Ų35.516%0.15819%0.191CC..EExtended strand (participates in β ladder)trans-111.4134.3-178.8-71.5177.2178.7145.14.2111.6P104 L124 D125 L135 F139 K148 E149P104-R137 PolarHBondContact O-NH2 2.86Å; P104-R137 VanDerWaalsContact O-NH2 3.12Å; L124-R137 WeakPolarHBondContact CA-O 3.48Å; D125-R137 HydrophobicContact CB-CB 4.43Å; D125-R137 PolarHBondContact N-O 3.05Å; D125-R137 PolarHBondContact O-N 2.62Å; L135-R137 HydrophobicContact CD1-CG 4.17Å; L135-R137 HydrophobicContact CG-CG 4.19Å; R137-F139 HydrophobicContact CB-CD2 4.12Å; R137-F139 HydrophobicContact CB-CE2 3.37Å; R137-F139 HydrophobicContact CB-CZ 3.81Å; R137-F139 HydrophobicContact CG-CE2 4.44Å; R137-F139 HydrophobicContact CG-CZ 4.46Å; R137-K148 CarbonylContact C-O 3.39Å; R137-K148 WeakPolarHBondContact CA-O 3.33Å; R137-E149 HydrophobicContact CG-CB 4.07Å; R137-E149 HydrophobicContact CG-CG 3.78Å; R137-E149 IonicContact CZ-OE1 3.05Å; R137-E149 IonicContact NE-OE1 3.33Å; R137-E149 PolarHBondContact NE-OE1 3.39Å; R137-E149 IonicContact NH2-OE1 3.45Å; R137-E149 PolarHBondContact NH2-OE1 3.11Å
138M90.8Very high88.9Confident0 Ų038 Ų380%020%0.201CC..EExtended strand (participates in β ladder)trans-104.3134.7168.8-66.2173.5175.200109.1L124 I146 T147 K148 L151 Y174 W239 M242L124-M138 HydrophobicContact CD1-CE 4.46Å; L124-M138 HydrophobicContact CD1-CG 3.97Å; M138-I146 CarbonylContact O-C 3.26Å; M138-I146 WeakPolarHBondContact O-CA 3.32Å; M138-T147 VanDerWaalsContact CB-OG1 3.26Å; M138-T147 WeakPolarHBondContact CB-OG1 3.18Å; M138-T147 PolarHBondContact O-N 3.25Å; M138-T147 PolarHBondContact O-OG1 2.9Å; M138-K148 HydrophobicContact CB-CB 4.23Å; M138-K148 HydrophobicContact CG-CB 4.3Å; M138-K148 PolarHBondContact N-O 2.97Å; M138-K148 HydrophobicContact SD-CB 3.9Å; M138-K148 HydrophobicContact SD-CD 3.79Å; M138-K148 HydrophobicContact SD-CG 4.01Å; M138-L151 HydrophobicContact CE-CD1 3.46Å; M138-L151 VanDerWaalsContact CE-CD1 3.46Å; M138-L151 HydrophobicContact CG-CD1 3.82Å; M138-L151 HydrophobicContact SD-CD1 3.81Å; M138-Y174 VanDerWaalsContact CE-CA 3.4Å; M138-Y174 HydrophobicContact CE-CD1 4.12Å; M138-Y174 HydrophobicContact CE-CG 4Å; M138-Y174 WeakPolarHBondContact CE-O 3.31Å; M138-W239 HydrophobicContact CB-CZ2 4.46Å; M138-W239 HydrophobicContact CG-CZ2 4.45Å; M138-W239 HydrophobicContact SD-CG 4.38Å; M138-M242 HydrophobicContact CE-CE 4.12Å; M138-M242 HydrophobicContact CE-SD 4.04Å
139F91.4Very high88.3Confident8 Ų840.8 Ų40.84%0.03521%0.214CC..EExtended strand (participates in β ladder)trans-123.3144.1-179.4-64-94.6000110.5Q122 Y123 D125 R137 R144 E145 I146 H215 W239Q122-F139 VanDerWaalsContact CA-O 3.27Å; Q122-F139 WeakPolarHBondContact CA-O 3.3Å; Y123-F139 HydrophobicContact CD1-CB 3.58Å; Y123-F139 HydrophobicContact CD1-CG 4.34Å; Y123-F139 HydrophobicContact CD2-CB 3.96Å; Y123-F139 AromaticContact CD2-CD2 3.49Å; Y123-F139 HydrophobicContact CD2-CD2 3.49Å; Y123-F139 VanDerWaalsContact CD2-CD2 3.49Å; Y123-F139 HydrophobicContact CD2-CE2 4.19Å; Y123-F139 AromaticContact CD2-CG 3.95Å; Y123-F139 HydrophobicContact CD2-CG 3.95Å; Y123-F139 HydrophobicContact CE1-CB 3.24Å; Y123-F139 HydrophobicContact CE1-CD1 4.34Å; Y123-F139 HydrophobicContact CE1-CD2 4.31Å; Y123-F139 AromaticContact CE1-CG 3.77Å; Y123-F139 HydrophobicContact CE1-CG 3.77Å; Y123-F139 HydrophobicContact CE2-CB 3.69Å; Y123-F139 HydrophobicContact CE2-CD1 4.04Å; Y123-F139 AromaticContact CE2-CD2 3.07Å; Y123-F139 HydrophobicContact CE2-CD2 3.07Å; Y123-F139 HydrophobicContact CE2-CE1 4.41Å; Y123-F139 AromaticContact CE2-CE2 3.54Å; Y123-F139 HydrophobicContact CE2-CE2 3.54Å; Y123-F139 AromaticContact CE2-CG 3.34Å; Y123-F139 HydrophobicContact CE2-CG 3.34Å; Y123-F139 HydrophobicContact CE2-CZ 4.19Å; Y123-F139 HydrophobicContact CG-CB 3.91Å; Y123-F139 HydrophobicContact CG-CD2 4.27Å; Y123-F139 HydrophobicContact CG-CG 4.41Å; Y123-F139 AromaticContact CZ-CD1 3.64Å; Y123-F139 AromaticContact CZ-CD2 3.53Å; Y123-F139 AromaticContact CZ-CG 3.21Å; Y123-F139 PolarHBondContact N-O 2.85Å; Y123-F139 PolarHBondContact O-N 2.99Å; Y123-F139 WeakPolarHBondContact OH-CD1 3.49Å; Y123-F139 WeakPolarHBondContact OH-CG 3.47Å; D125-F139 HydrophobicContact CB-CD2 4.37Å; D125-F139 HydrophobicContact CB-CE2 3.81Å; R137-F139 HydrophobicContact CB-CD2 4.12Å; R137-F139 HydrophobicContact CB-CE2 3.37Å; R137-F139 HydrophobicContact CB-CZ 3.81Å; R137-F139 HydrophobicContact CG-CE2 4.44Å; R137-F139 HydrophobicContact CG-CZ 4.46Å; F139-R144 HydrophobicContact CD1-CB 4.27Å; F139-R144 VanDerWaalsContact CD1-O 3.28Å; F139-R144 WeakPolarHBondContact CD1-O 3.5Å; F139-E145 CarbonylContact C-O 3.5Å; F139-E145 VanDerWaalsContact CA-O 3.27Å; F139-E145 WeakPolarHBondContact CA-O 3.23Å; F139-I146 HydrophobicContact CD1-CG1 3.8Å; F139-I146 HydrophobicContact CE1-CD1 4.13Å; F139-I146 HydrophobicContact CE1-CG1 3.35Å; F139-I146 HydrophobicContact CZ-CD1 4.47Å; F139-I146 HydrophobicContact CZ-CG1 3.98Å; F139-H215 AromaticContact CZ-CE1 3.57Å; F139-W239 WeakPolarHBondContact O-CH2 3.5Å
140S88.2Confident87.6Confident38 Ų3846.7 Ų46.727%0.26624%0.241SC..EExtended strand (participates in β ladder)trans-146.6128.6175.6-178.40000110.9E145S140-E145 PolarHBondContact N-O 3.34Å
141G83.8Confident87.3Confident24 Ų2447.4 Ų47.425%0.24725%0.245CC..THydrogen-bonded Turntrans108.4166.6176.700000112S121 G143 R144 E145S121-G141 PolarHBondContact O-N 3.33Å; G141-G143 PolarHBondContact O-N 3.29Å; G141-R144 PolarHBondContact O-N 2.91Å; G141-E145 WeakPolarHBondContact CA-OE2 2.97Å
142K80.7Confident87Confident198 Ų19848.2 Ų48.286%0.86125%0.25SS*.THydrogen-bonded Turntrans-71.2-22.6-179.4-67.3-174.8178.9-178.10112.1R144K142-R144 PolarHBondContact O-N 3.19Å
143G80.7Confident87.1Confident56 Ų5648.3 Ų48.358%0.57725%0.25SS*.THydrogen-bonded Turntrans-80.71177.900000113.6G141 E145G141-G143 PolarHBondContact O-N 3.29Å; G143-E145 VanDerWaalsContact C-N 3.27Å; G143-E145 WeakPolarHBondContact CA-OE2 3.22Å; G143-E145 PolarHBondContact N-OE2 3.36Å; G143-E145 VanDerWaalsContact N-OE2 3.15Å; G143-E145 PolarHBondContact O-N 3.19Å
144R86.7Confident86.9Confident90 Ų9051.6 Ų51.634%0.3427%0.265SS..THydrogen-bonded Turntrans56.345.3-175.5-58.3-178.3-171.4148.30.3110.8Y123 F139 G141 K142 I146 E213 H215Y123-R144 HydrophobicContact CE1-CG 4.2Å; Y123-R144 VanDerWaalsContact OH-CB 3.23Å; Y123-R144 WeakPolarHBondContact OH-CB 3.32Å; Y123-R144 WeakPolarHBondContact OH-CD 3.48Å; Y123-R144 VanDerWaalsContact OH-CG 3.26Å; Y123-R144 WeakPolarHBondContact OH-CG 3.37Å; F139-R144 HydrophobicContact CD1-CB 4.27Å; F139-R144 VanDerWaalsContact CD1-O 3.28Å; F139-R144 WeakPolarHBondContact CD1-O 3.5Å; G141-R144 PolarHBondContact O-N 2.91Å; K142-R144 PolarHBondContact O-N 3.19Å; R144-I146 PolarHBondContact O-N 3.18Å; R144-E213 IonicContact CZ-OE1 3.63Å; R144-E213 IonicContact NH1-OE1 3.35Å; R144-E213 PolarHBondContact NH1-OE1 3.25Å; R144-E213 IonicContact NH2-OE1 3.95Å; R144-E213 PolarHBondContact NH2-OE1 3.05Å; R144-E213 IonicContact NH2-OE2 3.21Å; R144-H215 PolarHBondContact NE-O 3.49Å; R144-H215 PolarHBondContact NH2-O 3.47Å
145E87.6Confident86.6Confident100 Ų10051.5 Ų51.547%0.46727%0.265SS..EExtended strand (participates in β ladder)trans-70123.5178.9-58.190154.800110F139 S140 G141 G143 T147F139-E145 CarbonylContact C-O 3.5Å; F139-E145 VanDerWaalsContact CA-O 3.27Å; F139-E145 WeakPolarHBondContact CA-O 3.23Å; S140-E145 PolarHBondContact N-O 3.34Å; G141-E145 WeakPolarHBondContact CA-OE2 2.97Å; G143-E145 VanDerWaalsContact C-N 3.27Å; G143-E145 WeakPolarHBondContact CA-OE2 3.22Å; G143-E145 PolarHBondContact N-OE2 3.36Å; G143-E145 VanDerWaalsContact N-OE2 3.15Å; G143-E145 PolarHBondContact O-N 3.19Å; E145-T147 PolarHBondContact O-N 3.11Å
146I87.2Confident86.3Confident82 Ų8256 Ų5642%0.42129%0.286SS..EExtended strand (participates in β ladder)trans-69.5120.6174.2-63172.2000108.2M138 F139 R144 K148 E149M138-I146 CarbonylContact O-C 3.26Å; M138-I146 WeakPolarHBondContact O-CA 3.32Å; F139-I146 HydrophobicContact CD1-CG1 3.8Å; F139-I146 HydrophobicContact CE1-CD1 4.13Å; F139-I146 HydrophobicContact CE1-CG1 3.35Å; F139-I146 HydrophobicContact CZ-CD1 4.47Å; F139-I146 HydrophobicContact CZ-CG1 3.98Å; R144-I146 PolarHBondContact O-N 3.18Å; I146-K148 WeakPolarHBondContact CG2-O 3.42Å; I146-E149 HydrophobicContact CG2-CB 3.96Å
147T84Confident85.9Confident73 Ų7356 Ų5645%0.44829%0.287SS..EExtended strand (participates in β ladder)trans-95.5-29.1175.460.10000112.3M138 E145M138-T147 VanDerWaalsContact CB-OG1 3.26Å; M138-T147 WeakPolarHBondContact CB-OG1 3.18Å; M138-T147 PolarHBondContact O-N 3.25Å; M138-T147 PolarHBondContact O-OG1 2.9Å; E145-T147 PolarHBondContact O-N 3.11Å
148K83.2Confident85.6Confident52 Ų5256 Ų5623%0.22629%0.291CS..EExtended strand (participates in β ladder)trans-152.6151.3174-61.2-167.4-178.1-178.60110.4R137 M138 I146 L151 W239 M242R137-K148 CarbonylContact C-O 3.39Å; R137-K148 WeakPolarHBondContact CA-O 3.33Å; M138-K148 HydrophobicContact CB-CB 4.23Å; M138-K148 HydrophobicContact CG-CB 4.3Å; M138-K148 PolarHBondContact N-O 2.97Å; M138-K148 HydrophobicContact SD-CB 3.9Å; M138-K148 HydrophobicContact SD-CD 3.79Å; M138-K148 HydrophobicContact SD-CG 4.01Å; I146-K148 WeakPolarHBondContact CG2-O 3.42Å; K148-L151 HydrophobicContact CB-CD1 3.85Å; K148-L151 HydrophobicContact CB-CD2 4.48Å; K148-L151 HydrophobicContact CB-CG 4.13Å; K148-L151 HydrophobicContact CD-CD2 4.11Å; K148-W239 PolarHBondContact NZ-O 2.61Å; K148-M242 PolarHBondContact NZ-O 2.87Å
149E83.9Confident85.4Confident58 Ų5856.6 Ų56.627%0.27129%0.294SS..  trans-144.6-37.7-176175.3166.6-159.500113.7H102 L135 V136 R137 I146 L151H102-E149 PolarHBondContact NE2-O 3.42Å; L135-E149 HydrophobicContact CD1-CG 3.92Å; V136-E149 CarbonylContact O-C 3.53Å; V136-E149 VanDerWaalsContact O-C 3.3Å; V136-E149 VanDerWaalsContact O-CA 3.32Å; V136-E149 WeakPolarHBondContact O-CA 3.45Å; R137-E149 HydrophobicContact CG-CB 4.07Å; R137-E149 HydrophobicContact CG-CG 3.78Å; R137-E149 IonicContact CZ-OE1 3.05Å; R137-E149 IonicContact NE-OE1 3.33Å; R137-E149 PolarHBondContact NE-OE1 3.39Å; R137-E149 IonicContact NH2-OE1 3.45Å; R137-E149 PolarHBondContact NH2-OE1 3.11Å; I146-E149 HydrophobicContact CG2-CB 3.96Å; E149-L151 PolarHBondContact O-N 2.83Å
150E80.5Confident84.9Confident128 Ų12860.9 Ų60.960%0.59831%0.314SS*.BIsolated β-bridgetrans-86.756179.3-59.2-173.4173.900111.5
151L84.8Confident84.8Confident16 Ų1661.5 Ų61.58%0.08433%0.326CS..  trans-95.7141.5180-69.6166.2000110.9W134 V136 M138 K148 E149 Y174 M242W134-L151 PolarHBondContact NE1-O 3.26Å; V136-L151 HydrophobicContact CB-CB 3.72Å; V136-L151 HydrophobicContact CB-CD1 4.48Å; V136-L151 HydrophobicContact CG1-CB 3.63Å; V136-L151 HydrophobicContact CG1-CD1 3.68Å; V136-L151 HydrophobicContact CG1-CG 4.33Å; M138-L151 HydrophobicContact CE-CD1 3.46Å; M138-L151 VanDerWaalsContact CE-CD1 3.46Å; M138-L151 HydrophobicContact CG-CD1 3.82Å; M138-L151 HydrophobicContact SD-CD1 3.81Å; K148-L151 HydrophobicContact CB-CD1 3.85Å; K148-L151 HydrophobicContact CB-CD2 4.48Å; K148-L151 HydrophobicContact CB-CG 4.13Å; K148-L151 HydrophobicContact CD-CD2 4.11Å; E149-L151 PolarHBondContact O-N 2.83Å; L151-Y174 HydrophobicContact CB-CE2 3.9Å; L151-Y174 HydrophobicContact CD2-CE1 4.26Å; L151-M242 HydrophobicContact CD2-CE 3.58Å
152D83.3Confident85.1Confident36 Ų3666.7 Ų66.719%0.19335%0.348CS..  trans-83.5148.4-174.5-71.7-48.8000112.3Y174 Q286 T288D152-Y174 PolarHBondContact N-OH 2.85Å; D152-Y174 VanDerWaalsContact O-CE2 3.28Å; D152-Y174 WeakPolarHBondContact O-CE2 3.49Å; D152-Y174 PolarHBondContact O-OH 3.32Å; D152-Q286 WeakPolarHBondContact OD2-CB 3.1Å; D152-Q286 PolarHBondContact OD2-N 2.95Å; D152-T288 HydrophobicContact CB-CG2 3.47Å; D152-T288 VanDerWaalsContact CB-CG2 3.47Å; D152-T288 WeakPolarHBondContact OD1-CG2 3.39Å
153L86.6Confident85.6Confident3 Ų359.4 Ų59.42%0.01632%0.32CS..  trans-139.8134.9179-158.969.7000109.4I126 V128 W134 V136 V155 F168 E169I126-L153 HydrophobicContact CG2-CD2 3.73Å; V128-L153 HydrophobicContact CG1-CD2 3.43Å; V128-L153 VanDerWaalsContact CG1-CD2 3.43Å; W134-L153 HydrophobicContact CB-CB 4.48Å; W134-L153 HydrophobicContact CB-CD2 4.11Å; W134-L153 HydrophobicContact CD2-CB 4.17Å; W134-L153 HydrophobicContact CG-CB 3.89Å; W134-L153 HydrophobicContact CG-CD2 4.39Å; V136-L153 HydrophobicContact CG2-CB 4.37Å; V136-L153 HydrophobicContact CG2-CD1 4.29Å; V136-L153 HydrophobicContact CG2-CD2 4.32Å; L153-V155 HydrophobicContact CB-CG2 4.01Å; L153-V155 HydrophobicContact CD2-CG2 3.68Å; L153-V155 HydrophobicContact CG-CG2 3.86Å; L153-F168 HydrophobicContact CD1-CD2 4.34Å; L153-F168 HydrophobicContact CD2-CB 3.89Å; L153-F168 HydrophobicContact CD2-CD2 3.87Å; L153-F168 HydrophobicContact CD2-CG 4.12Å; L153-F168 HydrophobicContact CG-CB 4.16Å; L153-F168 HydrophobicContact CG-CD2 4.45Å; L153-E169 VanDerWaalsContact CD1-O 3.23Å; L153-E169 WeakPolarHBondContact CD1-O 3.35Å
154E86.6Confident86.2Confident75 Ų7556.8 Ų56.835%0.3529%0.293SS..EExtended strand (participates in β ladder)trans-82118166-69.2-177-159.800107.5K78 F168 E169K78-E154 IonicContact NZ-OE1 3.99Å; K78-E154 PolarHBondContact NZ-OE1 3.06Å; K78-E154 IonicContact NZ-OE2 2.62Å; K78-E154 PolarHBondContact NZ-OE2 3.1Å; E154-F168 WeakPolarHBondContact O-CA 3.45Å; E154-F168 WeakPolarHBondContact O-CB 3.41Å; E154-E169 HydrophobicContact CB-CB 4.4Å; E154-E169 HydrophobicContact CB-CG 4.4Å; E154-E169 PolarHBondContact O-N 2.9Å; E154-E169 VanDerWaalsContact O-N 3.1Å
155V87.7Confident86.5Confident2 Ų256.6 Ų56.61%0.01229%0.292CS..EExtended strand (participates in β ladder)trans-127.7133.5-177-173.80000109.7V128 W134 L153 V167 F168 H291V128-V155 HydrophobicContact CG1-CG1 4.49Å; V128-V155 HydrophobicContact CG1-CG2 4.02Å; W134-V155 HydrophobicContact CB-CG2 4.4Å; W134-V155 HydrophobicContact CE3-CG2 4.18Å; L153-V155 HydrophobicContact CB-CG2 4.01Å; L153-V155 HydrophobicContact CD2-CG2 3.68Å; L153-V155 HydrophobicContact CG-CG2 3.86Å; V155-V167 CarbonylContact C-O 3.52Å; V155-V167 WeakPolarHBondContact CA-O 3.46Å; V155-F168 HydrophobicContact CG2-CB 4.06Å; V155-H291 PolarHBondContact O-N 2.76Å
156Q87.9Confident86.7Confident95 Ų9551.9 Ų51.944%0.44427%0.27SS..EExtended strand (participates in β ladder)trans-126.5126.3175.1-59.7-173.8-6.200109.4C166 V167 H291Q156-C166 CarbonylContact O-C 3.58Å; Q156-C166 WeakPolarHBondContact O-CA 3.47Å; Q156-V167 PolarHBondContact N-O 2.82Å; Q156-V167 PolarHBondContact O-N 2.94Å; Q156-H291 WeakPolarHBondContact CA-O 3.39Å; Q156-H291 HydrophobicContact CG-CB 4.26Å
157N87Confident87Confident1 Ų149.5 Ų49.51%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-116130.5177.5-72-41.3000109.8G129 P130 G132 F159 W164 R165 C166 H291 E293G129-N157 PolarHBondContact O-ND2 3.33Å; P130-N157 PolarHBondContact O-ND2 3.47Å; G132-N157 PolarHBondContact N-ND2 3.16Å; N157-F159 HydrophobicContact CB-CE2 3.89Å; N157-F159 HydrophobicContact CB-CZ 3.9Å; N157-W164 PolarHBondContact OD1-NE1 3.46Å; N157-R165 WeakPolarHBondContact CA-O 3.36Å; N157-C166 WeakPolarHBondContact OD1-CB 3.33Å; N157-C166 PolarHBondContact OD1-SG 3.35Å; N157-H291 PolarHBondContact N-O 3.08Å; N157-H291 VanDerWaalsContact N-O 3.14Å; N157-E293 PolarHBondContact O-N 2.88Å
158V84Confident87.5Confident40 Ų4046.1 Ų46.124%0.24224%0.238CC..EExtended strand (participates in β ladder)trans-126132.2176.6177.90000108.6R165 E293 F295V158-R165 HydrophobicContact CB-CB 4.37Å; V158-R165 PolarHBondContact N-O 3.32Å; V158-R165 PolarHBondContact O-N 2.88Å; V158-E293 WeakPolarHBondContact CA-O 3.41Å; V158-E293 HydrophobicContact CG2-CB 4.48Å; V158-F295 HydrophobicContact CG1-CD2 4.04Å; V158-F295 HydrophobicContact CG1-CE2 3.88Å
159F87Confident88Confident14 Ų1444.5 Ų44.56%0.06123%0.232CC..EExtended strand (participates in β ladder)trans-118.4131.6-178.2-55.7-81.1000111.4L89 P130 N157 T163 W164 V292 E293 R294 F295L89-F159 HydrophobicContact CD1-CD1 4.46Å; L89-F159 HydrophobicContact CD1-CE1 3.98Å; L89-F159 HydrophobicContact CD2-CD1 3.83Å; L89-F159 HydrophobicContact CD2-CE1 4.09Å; P130-F159 HydrophobicContact CB-CE1 3.8Å; P130-F159 HydrophobicContact CB-CZ 3.93Å; P130-F159 WeakPolarHBondContact O-CZ 3.35Å; N157-F159 HydrophobicContact CB-CE2 3.89Å; N157-F159 HydrophobicContact CB-CZ 3.9Å; F159-T163 WeakPolarHBondContact CA-O 3.21Å; F159-W164 HydrophobicContact CD1-CB 4.35Å; F159-W164 HydrophobicContact CE1-CB 4.23Å; F159-W164 AromaticContact CE1-CD1 3.61Å; F159-W164 HydrophobicContact CE1-CG 4.06Å; F159-V292 HydrophobicContact CE2-CG1 3.98Å; F159-E293 PolarHBondContact N-O 2.8Å; F159-R294 HydrophobicContact CD2-CG 3.67Å; F159-R294 HydrophobicContact CE2-CG 4.18Å; F159-F295 PolarHBondContact O-N 2.99Å
160E81.6Confident88.5Confident98 Ų9841.8 Ų41.846%0.45822%0.219SC..EExtended strand (participates in β ladder)trans-133100.1173.8-173.1178.7-165.500109.1N162 T163 R165E160-N162 PolarHBondContact O-N 2.83Å; E160-T163 PolarHBondContact N-O 3.11Å; E160-T163 VanDerWaalsContact N-O 3.11Å; E160-T163 WeakPolarHBondContact O-CB 3.35Å; E160-T163 PolarHBondContact O-N 3.22Å; E160-T163 VanDerWaalsContact O-N 3.07Å; E160-R165 IonicContact OE2-CZ 2.67Å; E160-R165 VanDerWaalsContact OE2-CZ 3.25Å; E160-R165 IonicContact OE2-NH1 3.04Å; E160-R165 PolarHBondContact OE2-NH1 2.97Å; E160-R165 IonicContact OE2-NH2 3.12Å; E160-R165 PolarHBondContact OE2-NH2 2.72Å
161G86.5Confident89Confident51 Ų5137.3 Ų37.353%0.52620%0.201SC..THydrogen-bonded Turntrans62.3-121.1-172.200000111.6
162N90.1Very high89Confident133 Ų13337.3 Ų37.371%0.71120%0.201SC*.THydrogen-bonded Turntrans-9919.9177.1-64.32.8000112.2P88 L89 E160P88-N162 WeakPolarHBondContact CA-O 3.42Å; L89-N162 PolarHBondContact N-O 3.07Å; E160-N162 PolarHBondContact O-N 2.83Å
163T90.3Very high89Confident44 Ų4436.6 Ų36.627%0.2720%0.2SC..EExtended strand (participates in β ladder)trans-104.9123176.8-59.60000109.4G87 F159 E160 R165G87-T163 WeakPolarHBondContact O-CA 3.3Å; F159-T163 WeakPolarHBondContact CA-O 3.21Å; E160-T163 PolarHBondContact N-O 3.11Å; E160-T163 VanDerWaalsContact N-O 3.11Å; E160-T163 WeakPolarHBondContact O-CB 3.35Å; E160-T163 PolarHBondContact O-N 3.22Å; E160-T163 VanDerWaalsContact O-N 3.07Å; T163-R165 HydrophobicContact CG2-CG 4.16Å
164W93.7Very high89.2Confident1 Ų137.1 Ų37.10%0.00420%0.202CC..EExtended strand (participates in β ladder)trans-97.4121.9171.7171.332.7000109.4F61 G87 L89 V112 V128 G129 P130 N157 F159 C166F61-W164 AromaticContact CE1-CE3 3.9Å; F61-W164 HydrophobicContact CE1-CE3 3.9Å; F61-W164 HydrophobicContact CE1-CZ3 4.12Å; F61-W164 HydrophobicContact CZ-CE3 4.47Å; G87-W164 PolarHBondContact N-O 2.8Å; G87-W164 PolarHBondContact O-N 2.87Å; L89-W164 HydrophobicContact CB-CB 4Å; L89-W164 HydrophobicContact CD1-CB 4.29Å; V112-W164 HydrophobicContact CB-CH2 4.46Å; V112-W164 HydrophobicContact CG1-CH2 4.14Å; V112-W164 HydrophobicContact CG1-CZ3 3.92Å; V112-W164 HydrophobicContact CG2-CH2 3.86Å; V112-W164 HydrophobicContact CG2-CZ2 4.48Å; V112-W164 HydrophobicContact CG2-CZ3 4.48Å; V128-W164 WeakPolarHBondContact O-CH2 2.9Å; G129-W164 VanDerWaalsContact C-CZ2 3.44Å; P130-W164 HydrophobicContact CB-CD2 3.92Å; P130-W164 HydrophobicContact CB-CE3 4.34Å; P130-W164 HydrophobicContact CB-CG 4.19Å; P130-W164 HydrophobicContact CB-CZ2 4.28Å; N157-W164 PolarHBondContact OD1-NE1 3.46Å; F159-W164 HydrophobicContact CD1-CB 4.35Å; F159-W164 HydrophobicContact CE1-CB 4.23Å; F159-W164 AromaticContact CE1-CD1 3.61Å; F159-W164 HydrophobicContact CE1-CG 4.06Å; W164-C166 HydrophobicContact CZ2-CB 3.92Å
165R93.3Very high89.3Confident86 Ų8633.9 Ų33.933%0.32519%0.187SC..EExtended strand (participates in β ladder)trans-112.9125170.1-57.7-170.1-173.9108.62.4109.7V85 D86 N157 V158 E160 T163V85-R165 CarbonylContact O-C 3.53Å; V85-R165 VanDerWaalsContact O-CA 3.27Å; V85-R165 WeakPolarHBondContact O-CA 3.43Å; D86-R165 WeakPolarHBondContact OD2-CD 3.14Å; D86-R165 WeakPolarHBondContact OD2-CG 3.37Å; D86-R165 IonicContact OD2-CZ 2.68Å; D86-R165 IonicContact OD2-NE 3.42Å; D86-R165 PolarHBondContact OD2-NE 2.85Å; N157-R165 WeakPolarHBondContact CA-O 3.36Å; V158-R165 HydrophobicContact CB-CB 4.37Å; V158-R165 PolarHBondContact N-O 3.32Å; V158-R165 PolarHBondContact O-N 2.88Å; E160-R165 IonicContact OE2-CZ 2.67Å; E160-R165 VanDerWaalsContact OE2-CZ 3.25Å; E160-R165 IonicContact OE2-NH1 3.04Å; E160-R165 PolarHBondContact OE2-NH1 2.97Å; E160-R165 IonicContact OE2-NH2 3.12Å; E160-R165 PolarHBondContact OE2-NH2 2.72Å; T163-R165 HydrophobicContact CG2-CG 4.16Å
166C91.6Very high89.5Confident1 Ų133.8 Ų33.81%0.00719%0.187CC..EExtended strand (participates in β ladder)trans-121138178.8-177.50000110.2Y84 V85 Q156 N157 W164Y84-C166 CarbonylContact C-O 3.52Å; Y84-C166 WeakPolarHBondContact CA-O 3.48Å; V85-C166 HydrophobicContact CB-CB 4.19Å; V85-C166 PolarHBondContact N-O 2.99Å; V85-C166 PolarHBondContact O-N 3.1Å; Q156-C166 CarbonylContact O-C 3.58Å; Q156-C166 WeakPolarHBondContact O-CA 3.47Å; N157-C166 WeakPolarHBondContact OD1-CB 3.33Å; N157-C166 PolarHBondContact OD1-SG 3.35Å; W164-C166 HydrophobicContact CZ2-CB 3.92Å
167V94.4Very high89.4Confident33 Ų3329.8 Ų29.820%0.217%0.169CC..EExtended strand (participates in β ladder)trans-124.2125.9166.7-173.20000108.4V83 Y84 V155 Q156V83-V167 VanDerWaalsContact O-CA 3.31Å; V83-V167 WeakPolarHBondContact O-CA 3.35Å; Y84-V167 HydrophobicContact CD1-CB 4.37Å; Y84-V167 HydrophobicContact CD1-CG1 4.01Å; Y84-V167 HydrophobicContact CD1-CG2 3.48Å; Y84-V167 VanDerWaalsContact CD1-CG2 3.48Å; Y84-V167 HydrophobicContact CE1-CG1 3.89Å; Y84-V167 HydrophobicContact CE1-CG2 3.88Å; Y84-V167 HydrophobicContact CG-CG2 4.35Å; V155-V167 CarbonylContact C-O 3.52Å; V155-V167 WeakPolarHBondContact CA-O 3.46Å; Q156-V167 PolarHBondContact N-O 2.82Å; Q156-V167 PolarHBondContact O-N 2.94Å
168F94.6Very high89.5Confident1 Ų131.9 Ų31.90%0.00419%0.187CC..EExtended strand (participates in β ladder)trans-133.8149.2172.863.2-86.8000112.6V83 V85 V114 I126 V128 L153 E154 V155 I170V83-F168 HydrophobicContact CB-CD1 4Å; V83-F168 HydrophobicContact CB-CD2 4.03Å; V83-F168 HydrophobicContact CB-CE1 3.62Å; V83-F168 HydrophobicContact CB-CE2 3.66Å; V83-F168 HydrophobicContact CB-CG 4.22Å; V83-F168 HydrophobicContact CB-CZ 3.45Å; V83-F168 VanDerWaalsContact CB-CZ 3.45Å; V83-F168 HydrophobicContact CG1-CD1 4.39Å; V83-F168 HydrophobicContact CG1-CE1 3.58Å; V83-F168 HydrophobicContact CG1-CE2 4.16Å; V83-F168 HydrophobicContact CG1-CZ 3.45Å; V83-F168 VanDerWaalsContact CG1-CZ 3.45Å; V83-F168 HydrophobicContact CG2-CD2 4.04Å; V83-F168 HydrophobicContact CG2-CE1 4.39Å; V83-F168 HydrophobicContact CG2-CE2 3.52Å; V83-F168 HydrophobicContact CG2-CZ 3.73Å; V83-F168 PolarHBondContact N-O 3.42Å; V83-F168 PolarHBondContact O-N 3.18Å; V85-F168 HydrophobicContact CG2-CE1 3.91Å; V114-F168 HydrophobicContact CG2-CZ 4.14Å; I126-F168 HydrophobicContact CB-CE2 4.49Å; I126-F168 HydrophobicContact CG2-CD2 4.19Å; I126-F168 HydrophobicContact CG2-CE2 3.81Å; V128-F168 HydrophobicContact CG1-CB 4.31Å; V128-F168 HydrophobicContact CG1-CD1 4.09Å; V128-F168 HydrophobicContact CG1-CD2 4.46Å; V128-F168 HydrophobicContact CG1-CE1 4.48Å; V128-F168 HydrophobicContact CG1-CG 4.06Å; V128-F168 HydrophobicContact CG2-CD1 3.76Å; V128-F168 HydrophobicContact CG2-CE1 3.74Å; L153-F168 HydrophobicContact CD1-CD2 4.34Å; L153-F168 HydrophobicContact CD2-CB 3.89Å; L153-F168 HydrophobicContact CD2-CD2 3.87Å; L153-F168 HydrophobicContact CD2-CG 4.12Å; L153-F168 HydrophobicContact CG-CB 4.16Å; L153-F168 HydrophobicContact CG-CD2 4.45Å; E154-F168 WeakPolarHBondContact O-CA 3.45Å; E154-F168 WeakPolarHBondContact O-CB 3.41Å; V155-F168 HydrophobicContact CG2-CB 4.06Å; F168-I170 HydrophobicContact CD2-CG1 3.95Å; F168-I170 HydrophobicContact CE2-CD1 3.95Å; F168-I170 HydrophobicContact CE2-CG1 3.88Å
169E93.5Very high90Very high19 Ų1930.1 Ų30.19%0.08918%0.176CC..EExtended strand (participates in β ladder)trans-111.8114.2-174.3-53.4-160.3-178.100111.3K78 V80 K82 L153 E154 P171K78-E169 WeakPolarHBondContact CD-OE2 3.37Å; K78-E169 WeakPolarHBondContact CE-OE2 3.47Å; K78-E169 IonicContact NZ-OE1 3.17Å; K78-E169 PolarHBondContact NZ-OE1 3.08Å; K78-E169 IonicContact NZ-OE2 3.83Å; K78-E169 PolarHBondContact NZ-OE2 3.45Å; V80-E169 HydrophobicContact CB-CB 4.14Å; V80-E169 HydrophobicContact CG1-CB 4.18Å; V80-E169 HydrophobicContact CG2-CB 4.1Å; V80-E169 HydrophobicContact CG2-CG 4.48Å; V80-E169 WeakPolarHBondContact CG2-OE2 3.37Å; K82-E169 VanDerWaalsContact CE-CD 3.48Å; K82-E169 WeakPolarHBondContact CE-OE1 3.31Å; K82-E169 HydrophobicContact CG-CG 4.12Å; K82-E169 IonicContact NZ-OE1 3.23Å; K82-E169 PolarHBondContact NZ-OE1 2.84Å; L153-E169 VanDerWaalsContact CD1-O 3.23Å; L153-E169 WeakPolarHBondContact CD1-O 3.35Å; E154-E169 HydrophobicContact CB-CB 4.4Å; E154-E169 HydrophobicContact CB-CG 4.4Å; E154-E169 PolarHBondContact O-N 2.9Å; E154-E169 VanDerWaalsContact O-N 3.1Å; E169-P171 VanDerWaalsContact O-CD 3.3Å; E169-P171 WeakPolarHBondContact O-CD 3.32Å
170I94Very high90.4Very high0 Ų031.6 Ų31.60%019%0.186CC..EExtended strand (participates in β ladder)trans-91.1112.8178.9-50.2171000109V80 V81 V83 F116 L124 I126 F168 L172 Y174 F175V80-I170 CarbonylContact C-O 3.3Å; V80-I170 WeakPolarHBondContact CA-O 3.35Å; V80-I170 WeakPolarHBondContact CB-O 3.49Å; V81-I170 PolarHBondContact N-O 2.86Å; V81-I170 PolarHBondContact O-N 2.82Å; V83-I170 HydrophobicContact CG2-CD1 3.62Å; V83-I170 HydrophobicContact CG2-CG1 4.08Å; F116-I170 HydrophobicContact CE2-CD1 3.75Å; F116-I170 HydrophobicContact CZ-CD1 4.45Å; L124-I170 HydrophobicContact CD2-CG2 3.85Å; I126-I170 HydrophobicContact CD1-CD1 3.86Å; I126-I170 HydrophobicContact CD1-CG1 4.48Å; I126-I170 HydrophobicContact CG1-CD1 4.39Å; F168-I170 HydrophobicContact CD2-CG1 3.95Å; F168-I170 HydrophobicContact CE2-CD1 3.95Å; F168-I170 HydrophobicContact CE2-CG1 3.88Å; I170-L172 PolarHBondContact O-N 2.87Å; I170-Y174 HydrophobicContact CG2-CD2 4.5Å; I170-F175 HydrophobicContact CB-CE2 3.92Å; I170-F175 HydrophobicContact CB-CZ 4.1Å; I170-F175 HydrophobicContact CD1-CZ 4.18Å; I170-F175 HydrophobicContact CG2-CD2 4.16Å; I170-F175 HydrophobicContact CG2-CE2 3.39Å; I170-F175 HydrophobicContact CG2-CZ 3.74Å
171P90.4Very high91.1Very high35 Ų3530 Ų3023%0.22718%0.176CC..EExtended strand (participates in β ladder)trans-57.8136.8174.9-24.436000111.9E169 A173 Y174E169-P171 VanDerWaalsContact O-CD 3.3Å; E169-P171 WeakPolarHBondContact O-CD 3.32Å; P171-A173 PolarHBondContact O-N 2.89Å; P171-Y174 HydrophobicContact CB-CD1 3.78Å; P171-Y174 HydrophobicContact CB-CE1 3.82Å; P171-Y174 HydrophobicContact CB-CG 4.17Å; P171-Y174 HydrophobicContact CG-CD1 4.06Å; P171-Y174 HydrophobicContact CG-CD2 4.19Å; P171-Y174 HydrophobicContact CG-CE1 3.73Å; P171-Y174 HydrophobicContact CG-CE2 3.91Å; P171-Y174 HydrophobicContact CG-CG 4.29Å; P171-Y174 WeakPolarHBondContact O-CB 3.27Å; P171-Y174 PolarHBondContact O-N 3.43Å
172L84Confident91.6Very high16 Ų1627.7 Ų27.78%0.08415%0.152CC..G310 helixtrans-51.1-34.6175.4175.365.2000111.7W67 R79 I170 Y174 F175 I229 F233W67-L172 HydrophobicContact CH2-CD2 4.27Å; W67-L172 HydrophobicContact CZ3-CD1 4.41Å; R79-L172 HydrophobicContact CB-CB 4.05Å; R79-L172 HydrophobicContact CB-CD2 4.33Å; R79-L172 WeakPolarHBondContact O-CB 3.26Å; R79-L172 PolarHBondContact O-N 3.4Å; I170-L172 PolarHBondContact O-N 2.87Å; L172-Y174 PolarHBondContact O-N 3.11Å; L172-Y174 VanDerWaalsContact O-N 3.11Å; L172-F175 PolarHBondContact O-N 2.83Å; L172-I229 HydrophobicContact CD1-CD1 3.96Å; L172-I229 HydrophobicContact CD1-CG1 4.36Å; L172-I229 HydrophobicContact CD1-CG2 3.71Å; L172-F233 HydrophobicContact CD1-CB 4.16Å; L172-F233 HydrophobicContact CD2-CB 3.8Å; L172-F233 HydrophobicContact CD2-CD1 3.55Å; L172-F233 HydrophobicContact CD2-CE1 4.42Å; L172-F233 HydrophobicContact CD2-CG 3.9Å
173A83.5Confident92Very high21 Ų2121.4 Ų21.417%0.17412%0.118CC..G310 helixtrans-62.4-19.2-179.500000113.9P171 L238 M242P171-A173 PolarHBondContact O-N 2.89Å; A173-L238 HydrophobicContact CB-CB 3.8Å; A173-L238 HydrophobicContact CB-CD1 3.83Å; A173-L238 HydrophobicContact CB-CG 4.4Å; A173-M242 VanDerWaalsContact C-SD 3.55Å; A173-M242 HydrophobicContact CB-CG 3.79Å; A173-M242 HydrophobicContact CB-SD 3.52Å; A173-M242 VanDerWaalsContact CB-SD 3.52Å
174Y91Very high92.4Very high14 Ų1419.3 Ų19.36%0.05511%0.105CC..G310 helixtrans-80.9-25.3-176.1-67.614000111.8V136 M138 L151 D152 I170 P171 L172 W239 M242V136-Y174 HydrophobicContact CG1-CD2 3.8Å; V136-Y174 HydrophobicContact CG1-CE2 4.02Å; M138-Y174 VanDerWaalsContact CE-CA 3.4Å; M138-Y174 HydrophobicContact CE-CD1 4.12Å; M138-Y174 HydrophobicContact CE-CG 4Å; M138-Y174 WeakPolarHBondContact CE-O 3.31Å; L151-Y174 HydrophobicContact CB-CE2 3.9Å; L151-Y174 HydrophobicContact CD2-CE1 4.26Å; D152-Y174 PolarHBondContact N-OH 2.85Å; D152-Y174 VanDerWaalsContact O-CE2 3.28Å; D152-Y174 WeakPolarHBondContact O-CE2 3.49Å; D152-Y174 PolarHBondContact O-OH 3.32Å; I170-Y174 HydrophobicContact CG2-CD2 4.5Å; P171-Y174 HydrophobicContact CB-CD1 3.78Å; P171-Y174 HydrophobicContact CB-CE1 3.82Å; P171-Y174 HydrophobicContact CB-CG 4.17Å; P171-Y174 HydrophobicContact CG-CD1 4.06Å; P171-Y174 HydrophobicContact CG-CD2 4.19Å; P171-Y174 HydrophobicContact CG-CE1 3.73Å; P171-Y174 HydrophobicContact CG-CE2 3.91Å; P171-Y174 HydrophobicContact CG-CG 4.29Å; P171-Y174 WeakPolarHBondContact O-CB 3.27Å; P171-Y174 PolarHBondContact O-N 3.43Å; L172-Y174 PolarHBondContact O-N 3.11Å; L172-Y174 VanDerWaalsContact O-N 3.11Å; Y174-W239 PolarHBondContact O-NE1 2.87Å; Y174-M242 HydrophobicContact CD1-CE 3.35Å; Y174-M242 HydrophobicContact CD1-SD 3.68Å; Y174-M242 HydrophobicContact CE1-CE 3.16Å; Y174-M242 HydrophobicContact CE1-SD 4.05Å
175F90Very high92.6Very high6 Ų619.2 Ų19.23%0.02611%0.105CC..SBendtrans-69.4139.2-176.1-71.1-94.6000111.8V81 F116 L124 I170 L172 V179 I229 W239V81-F175 HydrophobicContact CB-CE2 4.18Å; V81-F175 HydrophobicContact CB-CZ 3.87Å; V81-F175 HydrophobicContact CG2-CE2 3.8Å; V81-F175 HydrophobicContact CG2-CZ 3.59Å; F116-F175 HydrophobicContact CB-CD1 4.21Å; F116-F175 HydrophobicContact CB-CE1 4.28Å; F116-F175 HydrophobicContact CD1-CD1 4.46Å; F116-F175 AromaticContact CD1-CE1 3.88Å; F116-F175 HydrophobicContact CD1-CE1 3.88Å; F116-F175 HydrophobicContact CD2-CD1 4.23Å; F116-F175 AromaticContact CD2-CE1 3.55Å; F116-F175 HydrophobicContact CD2-CE1 3.55Å; F116-F175 HydrophobicContact CD2-CZ 4.3Å; F116-F175 HydrophobicContact CE1-CE1 4.02Å; F116-F175 AromaticContact CE2-CE1 3.7Å; F116-F175 HydrophobicContact CE2-CE1 3.7Å; F116-F175 HydrophobicContact CE2-CZ 4.1Å; F116-F175 HydrophobicContact CG-CD1 4.05Å; F116-F175 AromaticContact CG-CE1 3.62Å; F116-F175 HydrophobicContact CG-CE1 3.62Å; F116-F175 AromaticContact CZ-CE1 3.93Å; F116-F175 HydrophobicContact CZ-CE1 3.93Å; F116-F175 HydrophobicContact CZ-CZ 4.35Å; L124-F175 HydrophobicContact CD2-CD1 4.45Å; L124-F175 HydrophobicContact CD2-CG 4.44Å; I170-F175 HydrophobicContact CB-CE2 3.92Å; I170-F175 HydrophobicContact CB-CZ 4.1Å; I170-F175 HydrophobicContact CD1-CZ 4.18Å; I170-F175 HydrophobicContact CG2-CD2 4.16Å; I170-F175 HydrophobicContact CG2-CE2 3.39Å; I170-F175 HydrophobicContact CG2-CZ 3.74Å; L172-F175 PolarHBondContact O-N 2.83Å; F175-V179 HydrophobicContact CB-CG2 4.37Å; F175-V179 HydrophobicContact CD1-CG2 4.12Å; F175-I229 HydrophobicContact CD1-CD1 4.04Å; F175-I229 HydrophobicContact CD2-CD1 4.15Å; F175-I229 HydrophobicContact CE1-CD1 4.26Å; F175-I229 HydrophobicContact CE2-CD1 4.38Å; F175-I229 HydrophobicContact CG-CD1 3.97Å; F175-I229 HydrophobicContact CZ-CD1 4.43Å; F175-W239 PolarHBondContact O-NE1 3.02Å
176P90.7Very high92.8Very high1 Ų115.1 Ų15.11%0.0069%0.089CC..PPolyproline II helixtrans-64.6155.5164.923.2-24.9000110.1Q122 V179 W239Q122-P176 HydrophobicContact CB-CB 3.87Å; P176-V179 HydrophobicContact CG-CG2 4.07Å; P176-V179 VanDerWaalsContact O-CG2 3.27Å; P176-V179 WeakPolarHBondContact O-CG2 3.36Å; P176-W239 HydrophobicContact CB-CH2 3.81Å; P176-W239 HydrophobicContact CB-CZ2 3.47Å; P176-W239 VanDerWaalsContact CB-CZ2 3.47Å; P176-W239 HydrophobicContact CG-CZ2 4.06Å
177A85.5Confident93.1Very high10 Ų1015.5 Ų15.58%0.0839%0.091CC..THydrogen-bonded Turntrans-64.3147.9173.300000110.2N118 V179 N234N118-A177 WeakPolarHBondContact CB-O 3.34Å; N118-A177 PolarHBondContact ND2-O 3.26Å; A177-V179 PolarHBondContact O-N 2.87Å; A177-N234 CarbonylContact C-O 3.56Å; A177-N234 WeakPolarHBondContact CA-O 3.47Å
178A90.8Very high93.3Very high45 Ų4514.3 Ų14.337%0.3728%0.083SC..THydrogen-bonded Turntrans52.451.2173.700000112.5N118 T180 N234N118-A178 WeakPolarHBondContact CB-O 2.91Å; A178-T180 WeakPolarHBondContact O-CG2 3.49Å; A178-T180 PolarHBondContact O-N 2.97Å; A178-N234 WeakPolarHBondContact CA-ND2 3.23Å; A178-N234 PolarHBondContact N-O 3.01Å; A178-N234 PolarHBondContact N-OD1 2.82Å
179V94.1Very high93.3Very high4 Ų414.4 Ų14.42%0.0249%0.085CC..EExtended strand (participates in β ladder)trans-55.4129173.4-176.90000109.5F116 F175 P176 A177 I223 I225 N234F116-V179 HydrophobicContact CB-CG1 3.93Å; F116-V179 HydrophobicContact CD1-CG1 4.15Å; F175-V179 HydrophobicContact CB-CG2 4.37Å; F175-V179 HydrophobicContact CD1-CG2 4.12Å; P176-V179 HydrophobicContact CG-CG2 4.07Å; P176-V179 VanDerWaalsContact O-CG2 3.27Å; P176-V179 WeakPolarHBondContact O-CG2 3.36Å; A177-V179 PolarHBondContact O-N 2.87Å; V179-I223 HydrophobicContact CG1-CG2 3.96Å; V179-I225 HydrophobicContact CB-CD1 3.99Å; V179-I225 HydrophobicContact CB-CG1 4.07Å; V179-I225 HydrophobicContact CG1-CD1 4.08Å; V179-I225 HydrophobicContact CG2-CD1 4.47Å; V179-N234 PolarHBondContact N-ND2 3.07Å; V179-N234 PolarHBondContact N-OD1 2.81Å
180T94.7Very high93.3Very high44 Ų4415.3 Ų15.327%0.279%0.093SC..EExtended strand (participates in β ladder)trans-121.9-18.5-177.455.90000113.7A117 N119 A178 A222 I223A117-T180 PolarHBondContact O-N 2.84Å; N119-T180 PolarHBondContact OD1-OG1 2.97Å; A178-T180 WeakPolarHBondContact O-CG2 3.49Å; A178-T180 PolarHBondContact O-N 2.97Å; T180-A222 WeakPolarHBondContact O-CA 3.2Å; T180-I223 PolarHBondContact O-N 3.25Å
181R96.5Very high93.2Very high64 Ų6420.4 Ų20.424%0.24213%0.127CC..EExtended strand (participates in β ladder)trans-149.4159.3-175.370.2-168.178.1-143.22.6111.8A117 N119 I217 Y220 K221A117-R181 HydrophobicContact CB-CG 3.69Å; A117-R181 PolarHBondContact N-O 2.7Å; A117-R181 PolarHBondContact O-N 3.43Å; A117-R181 VanDerWaalsContact O-N 3.09Å; N119-R181 PolarHBondContact OD1-NH2 3.32Å; R181-I217 WeakPolarHBondContact CD-O 3.41Å; R181-Y220 HydrophobicContact CG-CD2 4.25Å; R181-K221 CarbonylContact C-O 3.45Å; R181-K221 WeakPolarHBondContact CA-O 3.33Å; R181-K221 WeakPolarHBondContact CB-O 3.42Å
182Y97.8Very high93.2Very high4 Ų425.1 Ų25.12%0.01616%0.157CC..EExtended strand (participates in β ladder)trans-153.2162.7179.178.3-56.7000112N42 F44 V115 F199 Y220 K221 I223N42-Y182 PolarHBondContact ND2-OH 3.14Å; F44-Y182 AromaticContact CD1-CE2 3.76Å; F44-Y182 HydrophobicContact CD1-CE2 3.76Å; F44-Y182 HydrophobicContact CE1-CD2 4.36Å; F44-Y182 AromaticContact CE1-CE2 3.56Å; F44-Y182 HydrophobicContact CE1-CE2 3.56Å; F44-Y182 HydrophobicContact CG-CE2 4.46Å; F44-Y182 HydrophobicContact CZ-CE2 4.14Å; V115-Y182 CarbonylContact O-C 3.56Å; V115-Y182 WeakPolarHBondContact O-CA 3.37Å; V115-Y182 VanDerWaalsContact O-CB 3.26Å; V115-Y182 WeakPolarHBondContact O-CB 3.38Å; Y182-F199 AromaticContact CE1-CE1 3.95Å; Y182-F199 HydrophobicContact CE1-CE1 3.95Å; Y182-F199 HydrophobicContact CE2-CD1 4.21Å; Y182-F199 AromaticContact CE2-CE1 3.79Å; Y182-F199 HydrophobicContact CE2-CE1 3.79Å; Y182-F199 AromaticContact CZ-CE1 3.42Å; Y182-F199 VanDerWaalsContact CZ-CE1 3.42Å; Y182-F199 WeakPolarHBondContact OH-CE1 3.39Å; Y182-F199 WeakPolarHBondContact OH-CZ 3.11Å; Y182-Y220 WeakPolarHBondContact O-CB 3.43Å; Y182-K221 HydrophobicContact CD1-CB 4.43Å; Y182-K221 WeakPolarHBondContact CD1-O 3.38Å; Y182-K221 HydrophobicContact CE1-CB 4.15Å; Y182-K221 HydrophobicContact CE1-CD 4.35Å; Y182-K221 HydrophobicContact CE1-CG 4.46Å; Y182-K221 PolarHBondContact N-O 2.82Å; Y182-K221 PolarHBondContact O-N 2.88Å; Y182-I223 HydrophobicContact CD1-CB 3.55Å; Y182-I223 HydrophobicContact CD1-CD1 3.83Å; Y182-I223 HydrophobicContact CD1-CG1 3.85Å; Y182-I223 HydrophobicContact CD2-CD1 4.22Å; Y182-I223 HydrophobicContact CE1-CB 3.92Å; Y182-I223 HydrophobicContact CE1-CD1 4.2Å; Y182-I223 HydrophobicContact CE1-CG1 3.95Å; Y182-I223 HydrophobicContact CG-CB 4.29Å; Y182-I223 HydrophobicContact CG-CD1 3.81Å; Y182-I223 HydrophobicContact CG-CG1 4.35Å
183N97.8Very high93.5Very high0 Ų033 Ų330%019%0.186CC..EExtended strand (participates in β ladder)trans-147.5169169.1-154-1.9000109.9V114 V115 F185 Q200 Y220V114-N183 WeakPolarHBondContact CA-O 3.22Å; V115-N183 PolarHBondContact N-O 3.14Å; V115-N183 PolarHBondContact O-N 3.33Å; N183-F185 HydrophobicContact CB-CE2 4.21Å; N183-F185 HydrophobicContact CB-CZ 4.09Å; N183-F185 VanDerWaalsContact ND2-CZ 3.29Å; N183-F185 WeakPolarHBondContact ND2-CZ 3.49Å; N183-Q200 PolarHBondContact ND2-O 3.13Å; N183-Q200 WeakPolarHBondContact OD1-CB 3.5Å; N183-Q200 PolarHBondContact OD1-N 2.85Å; N183-Q200 PolarHBondContact OD1-O 3.12Å; N183-Y220 HydrophobicContact CB-CD1 3.55Å; N183-Y220 HydrophobicContact CB-CD2 3.92Å; N183-Y220 HydrophobicContact CB-CE1 3.64Å; N183-Y220 HydrophobicContact CB-CE2 4Å; N183-Y220 HydrophobicContact CB-CG 3.7Å
184A98.4Very high94Very high0 Ų035.1 Ų35.10%019%0.189CC..EExtended strand (participates in β ladder)trans-143.5151.8173.200000110.2F44 V46 F63 S113 V114 A198 F199F44-A184 HydrophobicContact CD2-CB 4.44Å; F44-A184 HydrophobicContact CE2-CB 3.37Å; F44-A184 HydrophobicContact CZ-CB 3.76Å; V46-A184 HydrophobicContact CG2-CB 4.12Å; F63-A184 HydrophobicContact CZ-CB 4.42Å; S113-A184 CarbonylContact O-C 3.52Å; S113-A184 WeakPolarHBondContact O-CA 3.32Å; S113-A184 WeakPolarHBondContact O-CB 3.24Å; V114-A184 HydrophobicContact CG2-CB 4.25Å; A184-A198 WeakPolarHBondContact O-CA 3.5Å; A184-F199 HydrophobicContact CB-CB 4.16Å; A184-F199 PolarHBondContact O-N 3.05Å
185F98.4Very high94.2Very high0 Ų037.3 Ų37.30%020%0.2CC..EExtended strand (participates in β ladder)trans-136.2150.6-176.3-53-79.2000110.9V112 S113 V115 N183 L187 E197 A198 V202 L214 Y220V112-F185 CarbonylContact C-O 3.59Å; V112-F185 VanDerWaalsContact CA-O 3.28Å; V112-F185 WeakPolarHBondContact CA-O 3.23Å; S113-F185 PolarHBondContact N-O 3.19Å; S113-F185 PolarHBondContact O-N 2.73Å; V115-F185 HydrophobicContact CG2-CD2 4.38Å; V115-F185 HydrophobicContact CG2-CE2 3.99Å; N183-F185 HydrophobicContact CB-CE2 4.21Å; N183-F185 HydrophobicContact CB-CZ 4.09Å; N183-F185 VanDerWaalsContact ND2-CZ 3.29Å; N183-F185 WeakPolarHBondContact ND2-CZ 3.49Å; F185-L187 HydrophobicContact CB-CD1 3.86Å; F185-E197 WeakPolarHBondContact CA-O 3.25Å; F185-E197 WeakPolarHBondContact CB-O 3.29Å; F185-A198 HydrophobicContact CD1-CB 3.69Å; F185-A198 HydrophobicContact CE1-CB 3.8Å; F185-V202 HydrophobicContact CE1-CG1 3.9Å; F185-V202 HydrophobicContact CE1-CG2 4.42Å; F185-V202 HydrophobicContact CZ-CG1 3.92Å; F185-L214 HydrophobicContact CD1-CD2 3.72Å; F185-L214 HydrophobicContact CD2-CB 4.4Å; F185-L214 HydrophobicContact CD2-CD1 4.29Å; F185-L214 HydrophobicContact CD2-CD2 4.42Å; F185-L214 HydrophobicContact CE1-CD2 3.76Å; F185-L214 HydrophobicContact CE2-CB 3.96Å; F185-L214 HydrophobicContact CE2-CD2 4.45Å; F185-L214 HydrophobicContact CG-CD1 4.36Å; F185-L214 HydrophobicContact CG-CD2 4.06Å; F185-L214 HydrophobicContact CZ-CB 4.01Å; F185-L214 HydrophobicContact CZ-CD2 4.12Å; F185-Y220 HydrophobicContact CZ-CE1 4.21Å
186A98.3Very high94.5Very high0 Ų037.7 Ų37.70%020%0.203CC..EExtended strand (participates in β ladder)trans-123131.3165.100000108.1V46 F61 V112 E197V46-A186 HydrophobicContact CG1-CB 4.14Å; F61-A186 HydrophobicContact CD2-CB 3.42Å; F61-A186 VanDerWaalsContact CD2-CB 3.42Å; F61-A186 HydrophobicContact CE2-CB 3.62Å; F61-A186 HydrophobicContact CG-CB 4.08Å; F61-A186 HydrophobicContact CZ-CB 4.41Å; V112-A186 HydrophobicContact CG1-CB 4.2Å; A186-E197 HydrophobicContact CB-CB 4.29Å; A186-E197 PolarHBondContact N-O 2.87Å; A186-E197 VanDerWaalsContact N-O 3.08Å; A186-E197 PolarHBondContact O-N 3.39Å
187L97.7Very high94.9Very high9 Ų937.9 Ų37.95%0.04720%0.203CC..EExtended strand (participates in β ladder)trans-127128.6-178.8-62.486.4000108.9Y107 E110 C111 F185 H195 V196 L214Y107-L187 HydrophobicContact CD1-CD1 4.24Å; Y107-L187 HydrophobicContact CD1-CD2 4.01Å; E110-L187 CarbonylContact C-O 3.51Å; E110-L187 VanDerWaalsContact CA-O 3.32Å; E110-L187 WeakPolarHBondContact CA-O 3.47Å; C111-L187 PolarHBondContact N-O 3.48Å; C111-L187 PolarHBondContact O-N 3.08Å; F185-L187 HydrophobicContact CB-CD1 3.86Å; L187-H195 WeakPolarHBondContact CA-O 3.41Å; L187-V196 HydrophobicContact CD2-CG2 4.1Å; L187-V196 HydrophobicContact CG-CG1 4.33Å; L187-V196 HydrophobicContact CG-CG2 4.2Å; L187-L214 HydrophobicContact CD1-CD1 4.41Å; L187-L214 HydrophobicContact CD2-CD1 4.4Å
188H97Very high95.5Very high7 Ų737.4 Ų37.43%0.03220%0.199CC..EExtended strand (participates in β ladder)trans-156.4170.9179.761.484.6000109.9H58 F90 E110 R194 H195 E197H58-H188 AromaticContact CE1-NE2 3.83Å; H58-H188 AromaticContact NE2-CE1 3.59Å; H58-H188 AromaticContact NE2-NE2 3.26Å; H58-H188 PolarHBondContact NE2-NE2 3.23Å; F90-H188 HydrophobicContact CB-CB 4.13Å; F90-H188 AromaticContact CD1-ND1 3.9Å; F90-H188 HydrophobicContact CD2-CB 3.43Å; F90-H188 VanDerWaalsContact CD2-CB 3.43Å; F90-H188 AromaticContact CD2-CD2 3.78Å; F90-H188 AromaticContact CD2-CG 3.44Å; F90-H188 VanDerWaalsContact CD2-CG 3.44Å; F90-H188 AromaticContact CD2-ND1 3.93Å; F90-H188 AromaticContact CE1-CE1 3.74Å; F90-H188 AromaticContact CE1-ND1 3.86Å; F90-H188 HydrophobicContact CE2-CB 3.94Å; F90-H188 AromaticContact CE2-CD2 3.3Å; F90-H188 WeakPolarHBondContact CE2-CD2 3.36Å; F90-H188 AromaticContact CE2-CE1 3.9Å; F90-H188 AromaticContact CE2-CG 3.45Å; F90-H188 VanDerWaalsContact CE2-CG 3.45Å; F90-H188 AromaticContact CE2-ND1 3.87Å; F90-H188 AromaticContact CE2-NE2 3.61Å; F90-H188 HydrophobicContact CG-CB 3.83Å; F90-H188 AromaticContact CG-CG 3.87Å; F90-H188 AromaticContact CG-ND1 3.93Å; F90-H188 AromaticContact CZ-CD2 3.72Å; F90-H188 AromaticContact CZ-CE1 3.54Å; F90-H188 AromaticContact CZ-CG 3.89Å; F90-H188 AromaticContact CZ-ND1 3.84Å; F90-H188 AromaticContact CZ-NE2 3.49Å; F90-H188 WeakPolarHBondContact CZ-NE2 3.35Å; E110-H188 HydrophobicContact CG-CB 4.21Å; H188-R194 WeakPolarHBondContact O-CD 3.42Å; H188-H195 WeakPolarHBondContact CE1-CB 3.32Å; H188-H195 AromaticContact CE1-CD2 3.73Å; H188-H195 AromaticContact CE1-CG 3.43Å; H188-H195 VanDerWaalsContact CE1-CG 3.43Å; H188-H195 PolarHBondContact N-O 3.45Å; H188-H195 AromaticContact ND1-CD2 3.74Å; H188-H195 AromaticContact ND1-CG 3.8Å; H188-H195 PolarHBondContact O-N 2.84Å; H188-E197 IonicContact CD2-OE1 2.83Å; H188-E197 IonicContact CE1-OE1 3.25Å; H188-E197 IonicContact NE2-OE1 2.72Å; H188-E197 PolarHBondContact NE2-OE1 3.34Å
189G95.9Very high95.8Very high4 Ų436.2 Ų36.24%0.04119%0.186CC..  trans84.5144-177.600000113.3D92 R194D92-G189 WeakPolarHBondContact O-CA 3.3Å; D92-G189 PolarHBondContact O-N 2.86Å; D92-G189 WeakPolarHBondContact OD2-CA 3.37Å; G189-R194 WeakPolarHBondContact O-CD 3.31Å; G189-R194 PolarHBondContact O-NH1 3.37Å
190S94.1Very high95.9Very high37 Ų3739.1 Ų39.126%0.25920%0.199SC..  trans-83.2147.2171.1-720000112.2D92 P93 R193D92-S190 VanDerWaalsContact CG-N 3.29Å; D92-S190 VanDerWaalsContact OD1-CB 3.23Å; D92-S190 WeakPolarHBondContact OD1-CB 3.26Å; D92-S190 PolarHBondContact OD1-N 2.81Å; D92-S190 VanDerWaalsContact OD1-N 3.15Å; D92-S190 PolarHBondContact OD1-OG 2.82Å; D92-S190 PolarHBondContact OD2-N 3.08Å; D92-S190 VanDerWaalsContact OD2-N 3.07Å; P93-S190 WeakPolarHBondContact CA-OG 3.5Å; P93-S190 WeakPolarHBondContact CB-OG 3.49Å; S190-R193 CarbonylContact O-C 3.38Å; S190-R193 VanDerWaalsContact O-C 3.26Å; S190-R193 WeakPolarHBondContact O-CA 3.39Å; S190-R193 PolarHBondContact O-N 3.42Å
191P91.2Very high96Very high108 Ų10837.9 Ų37.970%0.70119%0.192SC*.THydrogen-bonded Turntrans-52.8140.6169.8-25.334.4000112.2
192P89.3Confident95.8Very high134 Ų13434.9 Ų34.987%0.8718%0.181SC*.THydrogen-bonded Turncis-85.40.54.335.3-36.4000114.6R194P192-R194 VanDerWaalsContact C-N 3.29Å; P192-R194 PolarHBondContact O-N 2.82Å
193R91.1Very high95.5Very high182 Ų18235.5 Ų35.569%0.68719%0.186SC*.SBendtrans-94.747.3-178.6-61.9-175.3-63.9-169.11.9111.3S190 H195S190-R193 CarbonylContact O-C 3.38Å; S190-R193 VanDerWaalsContact O-C 3.26Å; S190-R193 WeakPolarHBondContact O-CA 3.39Å; S190-R193 PolarHBondContact O-N 3.42Å; R193-H195 PolarHBondContact O-CD2 3.43Å; R193-H195 PolarHBondContact O-N 3.26Å
194R94.5Very high94.8Very high64 Ų6438.3 Ų38.324%0.24220%0.201CC..  trans-77.2120.7176.2-175.165.5171.6177.42.3109Y107 D108 Q109 H188 G189 P192 V196Y107-R194 PolarHBondContact O-NH2 3.25Å; D108-R194 PolarHBondContact O-NH1 2.8Å; Q109-R194 PolarHBondContact O-NH1 2.89Å; Q109-R194 PolarHBondContact O-NH2 3.28Å; H188-R194 WeakPolarHBondContact O-CD 3.42Å; G189-R194 WeakPolarHBondContact O-CD 3.31Å; G189-R194 PolarHBondContact O-NH1 3.37Å; P192-R194 VanDerWaalsContact C-N 3.29Å; P192-R194 PolarHBondContact O-N 2.82Å; R194-V196 HydrophobicContact CG-CG2 4.36Å
195H95.6Very high93.8Very high61 Ų6141.3 Ų41.328%0.28223%0.232SC..EExtended strand (participates in β ladder)trans-95.1135.6174.3-62.6-99.8000109.3E57 L187 H188 R193E57-H195 IonicContact OE2-CE1 2.87Å; E57-H195 PolarHBondContact OE2-CE1 2.69Å; L187-H195 WeakPolarHBondContact CA-O 3.41Å; H188-H195 WeakPolarHBondContact CE1-CB 3.32Å; H188-H195 AromaticContact CE1-CD2 3.73Å; H188-H195 AromaticContact CE1-CG 3.43Å; H188-H195 VanDerWaalsContact CE1-CG 3.43Å; H188-H195 PolarHBondContact N-O 3.45Å; H188-H195 AromaticContact ND1-CD2 3.74Å; H188-H195 AromaticContact ND1-CG 3.8Å; H188-H195 PolarHBondContact O-N 2.84Å; R193-H195 PolarHBondContact O-CD2 3.43Å; R193-H195 PolarHBondContact O-N 3.26Å
196V96.6Very high92.6Very high14 Ų1450 Ų509%0.08527%0.265CS..EExtended strand (participates in β ladder)trans-133113.6172.5-179.40000108W50 L187 R194 P212 L214W50-V196 HydrophobicContact CB-CG1 4.07Å; W50-V196 VanDerWaalsContact CD1-O 3.27Å; W50-V196 HydrophobicContact CG-CB 4.42Å; W50-V196 HydrophobicContact CG-CG1 4.42Å; W50-V196 PolarHBondContact N-O 3.02Å; L187-V196 HydrophobicContact CD2-CG2 4.1Å; L187-V196 HydrophobicContact CG-CG1 4.33Å; L187-V196 HydrophobicContact CG-CG2 4.2Å; R194-V196 HydrophobicContact CG-CG2 4.36Å; V196-P212 HydrophobicContact CB-CB 4.28Å; V196-P212 HydrophobicContact CB-CG 4.02Å; V196-P212 HydrophobicContact CG1-CB 3.91Å; V196-P212 HydrophobicContact CG1-CG 4.09Å; V196-P212 HydrophobicContact CG2-CB 4.48Å; V196-P212 HydrophobicContact CG2-CG 3.74Å; V196-L214 HydrophobicContact CG1-CD2 3.79Å
197E97.4Very high90.8Very high4 Ų458.9 Ų58.92%0.01931%0.31CS..EExtended strand (participates in β ladder)trans-110.9151.6-177.7-61.8168.9-151.500109.8V46 K48 V55 H58 F185 A186 H188V46-E197 HydrophobicContact CG1-CB 3.51Å; K48-E197 CarbonylContact O-C 3.44Å; K48-E197 WeakPolarHBondContact O-CA 3.28Å; K48-E197 WeakPolarHBondContact O-CB 3.04Å; V55-E197 HydrophobicContact CG2-CB 4.41Å; V55-E197 HydrophobicContact CG2-CG 3.66Å; H58-E197 IonicContact CE1-OE1 2.63Å; H58-E197 PolarHBondContact CE1-OE1 2.86Å; H58-E197 IonicContact CE1-OE2 3.21Å; H58-E197 PolarHBondContact CE1-OE2 3.01Å; H58-E197 IonicContact NE2-OE1 3.9Å; H58-E197 PolarHBondContact NE2-OE1 3.42Å; F185-E197 WeakPolarHBondContact CA-O 3.25Å; F185-E197 WeakPolarHBondContact CB-O 3.29Å; A186-E197 HydrophobicContact CB-CB 4.29Å; A186-E197 PolarHBondContact N-O 2.87Å; A186-E197 VanDerWaalsContact N-O 3.08Å; A186-E197 PolarHBondContact O-N 3.39Å; H188-E197 IonicContact CD2-OE1 2.83Å; H188-E197 IonicContact CE1-OE1 3.25Å; H188-E197 IonicContact NE2-OE1 2.72Å; H188-E197 PolarHBondContact NE2-OE1 3.34Å
198A97.8Very high89.4Confident0 Ų061.3 Ų61.30%034%0.338CS..EExtended strand (participates in β ladder)trans-139.6140.1-174.900000111K48 A184 F185 Q200K48-A198 PolarHBondContact O-N 3.41Å; A184-A198 WeakPolarHBondContact O-CA 3.5Å; F185-A198 HydrophobicContact CD1-CB 3.69Å; F185-A198 HydrophobicContact CE1-CB 3.8Å; A198-Q200 VanDerWaalsContact C-N 3.34Å; A198-Q200 WeakPolarHBondContact CB-O 3.26Å
199F97.9Very high88.2Confident20 Ų2062.1 Ų62.19%0.08834%0.342CS..SBendtrans-62-47.2165.7165.4-129.4000110.3F44 V45 V46 Y182 A184 K221F44-F199 HydrophobicContact CB-CD2 3.9Å; F44-F199 HydrophobicContact CB-CE1 4.45Å; F44-F199 HydrophobicContact CB-CE2 3.5Å; F44-F199 VanDerWaalsContact CB-CE2 3.5Å; F44-F199 HydrophobicContact CB-CZ 3.76Å; F44-F199 HydrophobicContact CD2-CB 4.09Å; F44-F199 HydrophobicContact CD2-CD1 4.19Å; F44-F199 AromaticContact CD2-CD2 3.88Å; F44-F199 HydrophobicContact CD2-CD2 3.88Å; F44-F199 HydrophobicContact CD2-CE2 4.3Å; F44-F199 AromaticContact CD2-CG 3.79Å; F44-F199 HydrophobicContact CD2-CG 3.79Å; F44-F199 HydrophobicContact CE2-CB 4.37Å; F44-F199 HydrophobicContact CE2-CG 4.39Å; F44-F199 HydrophobicContact CG-CD1 4.46Å; F44-F199 HydrophobicContact CG-CD2 4.18Å; F44-F199 HydrophobicContact CG-CE1 4.39Å; F44-F199 HydrophobicContact CG-CE2 4.13Å; F44-F199 HydrophobicContact CG-CG 4.32Å; F44-F199 HydrophobicContact CG-CZ 4.18Å; V45-F199 WeakPolarHBondContact O-CD2 3.39Å; V46-F199 HydrophobicContact CG2-CB 4Å; Y182-F199 AromaticContact CE1-CE1 3.95Å; Y182-F199 HydrophobicContact CE1-CE1 3.95Å; Y182-F199 HydrophobicContact CE2-CD1 4.21Å; Y182-F199 AromaticContact CE2-CE1 3.79Å; Y182-F199 HydrophobicContact CE2-CE1 3.79Å; Y182-F199 AromaticContact CZ-CE1 3.42Å; Y182-F199 VanDerWaalsContact CZ-CE1 3.42Å; Y182-F199 WeakPolarHBondContact OH-CE1 3.39Å; Y182-F199 WeakPolarHBondContact OH-CZ 3.11Å; A184-F199 HydrophobicContact CB-CB 4.16Å; A184-F199 PolarHBondContact O-N 3.05Å; F199-K221 HydrophobicContact CE1-CB 3.96Å; F199-K221 HydrophobicContact CE1-CD 3.48Å; F199-K221 VanDerWaalsContact CE1-CD 3.48Å; F199-K221 HydrophobicContact CE1-CG 4.37Å; F199-K221 HydrophobicContact CE2-CD 4.36Å; F199-K221 HydrophobicContact CZ-CD 3.29Å
200Q96.8Very high87.4Confident66 Ų6667.1 Ų67.131%0.30837%0.372SS..SBendtrans-120.6120.1172.1-172.758.130.700109.7N183 A198 F219N183-Q200 PolarHBondContact ND2-O 3.13Å; N183-Q200 WeakPolarHBondContact OD1-CB 3.5Å; N183-Q200 PolarHBondContact OD1-N 2.85Å; N183-Q200 PolarHBondContact OD1-O 3.12Å; A198-Q200 VanDerWaalsContact C-N 3.34Å; A198-Q200 WeakPolarHBondContact CB-O 3.26Å; Q200-F219 WeakPolarHBondContact CG-O 3.24Å
201P95.5Very high86.9Confident17 Ų1770 Ų7011%0.1139%0.388CS..  trans-56143.8179.1-27.837000112.4K48 W50 F219K48-P201 HydrophobicContact CB-CG 4.46Å; K48-P201 HydrophobicContact CD-CG 4.11Å; W50-P201 WeakPolarHBondContact O-CA 3.49Å; W50-P201 WeakPolarHBondContact O-CB 2.78Å; P201-F219 WeakPolarHBondContact O-CB 3.31Å
202V93.9Very high86.7Confident1 Ų167.1 Ų67.11%0.00637%0.37CS..  trans-111.719.3-177.5-66.60000112.3W50 F185 R216 F219 Y220W50-V202 HydrophobicContact CB-CG2 4.13Å; W50-V202 PolarHBondContact O-N 2.86Å; F185-V202 HydrophobicContact CE1-CG1 3.9Å; F185-V202 HydrophobicContact CE1-CG2 4.42Å; F185-V202 HydrophobicContact CZ-CG1 3.92Å; V202-R216 HydrophobicContact CB-CB 4.46Å; V202-R216 WeakPolarHBondContact O-CD 3.15Å; V202-R216 PolarHBondContact O-NH1 3.22Å; V202-F219 HydrophobicContact CG1-CB 4.42Å; V202-Y220 HydrophobicContact CG1-CE1 4.27Å
203S91.2Very high86.8Confident17 Ų1764.7 Ų64.712%0.11935%0.347CS..  trans-109.8143.9176.8-171.50000111.2W50 G205 D209W50-S203 PolarHBondContact O-N 2.9Å; S203-G205 PolarHBondContact OG-N 2.97Å; S203-G205 VanDerWaalsContact OG-N 3.13Å; S203-D209 VanDerWaalsContact CA-OD2 3.27Å; S203-D209 WeakPolarHBondContact CA-OD2 3.38Å; S203-D209 WeakPolarHBondContact CB-OD2 3.16Å; S203-D209 PolarHBondContact OG-OD2 3.04Å
204D82.2Confident86.9Confident59 Ų5957.2 Ų57.232%0.31632%0.32SS..  trans-96.56.7168.156.214.2000112.7R206 R216 F219D204-R206 HydrophobicContact CB-CG 4.47Å; D204-R206 PolarHBondContact O-N 3.04Å; D204-R206 WeakPolarHBondContact OD1-CB 3.28Å; D204-R206 VanDerWaalsContact OD1-CG 3.27Å; D204-R206 WeakPolarHBondContact OD1-CG 3.11Å; D204-R206 PolarHBondContact OD1-N 2.81Å; D204-R206 VanDerWaalsContact OD2-CD 3.25Å; D204-R206 WeakPolarHBondContact OD2-CD 3.4Å; D204-R206 IonicContact OD2-CZ 3.38Å; D204-R206 IonicContact OD2-NE 3.24Å; D204-R206 PolarHBondContact OD2-NE 2.79Å; D204-R206 IonicContact OD2-NH1 3.52Å; D204-R216 IonicContact OD2-NH2 3.73Å; D204-R216 PolarHBondContact OD2-NH2 3.17Å; D204-F219 HydrophobicContact CB-CE1 4.28Å; D204-F219 HydrophobicContact CB-CZ 4Å
205G77.4Confident86.7Confident64 Ų6456 Ų5666%0.6632%0.317SS*.  trans69.110.818000000114.4S203S203-G205 PolarHBondContact OG-N 2.97Å; S203-G205 VanDerWaalsContact OG-N 3.13Å
206R72.9Confident86.4Confident182 Ų18254.4 Ų54.469%0.68731%0.309SS*.  trans-68.5143.1178.4-69.8177.2-175.9167.82.5111.1D204 G208 D209D204-R206 HydrophobicContact CB-CG 4.47Å; D204-R206 PolarHBondContact O-N 3.04Å; D204-R206 WeakPolarHBondContact OD1-CB 3.28Å; D204-R206 VanDerWaalsContact OD1-CG 3.27Å; D204-R206 WeakPolarHBondContact OD1-CG 3.11Å; D204-R206 PolarHBondContact OD1-N 2.81Å; D204-R206 VanDerWaalsContact OD2-CD 3.25Å; D204-R206 WeakPolarHBondContact OD2-CD 3.4Å; D204-R206 IonicContact OD2-CZ 3.38Å; D204-R206 IonicContact OD2-NE 3.24Å; D204-R206 PolarHBondContact OD2-NE 2.79Å; D204-R206 IonicContact OD2-NH1 3.52Å; R206-G208 PolarHBondContact O-N 2.94Å; R206-D209 PolarHBondContact O-N 3.22Å; R206-D209 VanDerWaalsContact O-N 3.17Å
207I62.2Low86.2Confident186 Ų18655 Ų5595%0.95431%0.311SS*.THydrogen-bonded Turntrans-61.4106.4171.5-58.1169.4000107.5
208G66.7Low85.9Confident61 Ų6160.1 Ų60.163%0.62934%0.335SS*.THydrogen-bonded Turntrans132.4-15.7-177.800000114.4R206 T210R206-G208 PolarHBondContact O-N 2.94Å; G208-T210 VanDerWaalsContact C-N 3.27Å; G208-T210 PolarHBondContact O-N 2.86Å
209D72.6Confident85.7Confident24 Ų2462.6 Ų62.613%0.12835%0.346CS..  trans-72.783.3172.8-159.6-3000108.4W50 R51 S203 R206 R216W50-D209 HydrophobicContact CH2-CB 4.48Å; W50-D209 WeakPolarHBondContact CH2-OD1 3.13Å; W50-D209 HydrophobicContact CZ3-CB 4.46Å; W50-D209 VanDerWaalsContact CZ3-CG 3.45Å; W50-D209 VanDerWaalsContact CZ3-OD1 3.23Å; W50-D209 WeakPolarHBondContact CZ3-OD1 3.47Å; W50-D209 WeakPolarHBondContact CZ3-OD2 3.26Å; R51-D209 PolarHBondContact NH1-O 2.89Å; R51-D209 PolarHBondContact NH2-O 2.77Å; S203-D209 VanDerWaalsContact CA-OD2 3.27Å; S203-D209 WeakPolarHBondContact CA-OD2 3.38Å; S203-D209 WeakPolarHBondContact CB-OD2 3.16Å; S203-D209 PolarHBondContact OG-OD2 3.04Å; R206-D209 PolarHBondContact O-N 3.22Å; R206-D209 VanDerWaalsContact O-N 3.17Å; D209-R216 IonicContact OD2-NH1 3.8Å
210T78.1Confident85.7Confident109 Ų10962.2 Ų62.267%0.66934%0.344SS*.  trans-95.6-22.9-173.551.20000112.9G208G208-T210 VanDerWaalsContact C-N 3.27Å; G208-T210 PolarHBondContact O-N 2.86Å
211T83.4Confident85.7Confident96 Ų9663.9 Ų63.959%0.58935%0.35SS*.SBendtrans-131.5139.4-175.454.50000110.5E213T211-E213 PolarHBondContact O-N 3.42Å
212P88.6Confident85.7Confident49 Ų4966.9 Ų66.932%0.31838%0.376SS..  trans-65122.9179.124.1-30.5000111.5W50 V196 L214W50-P212 HydrophobicContact CB-CB 4.13Å; W50-P212 HydrophobicContact CD2-CB 3.72Å; W50-P212 HydrophobicContact CE3-CB 4.16Å; W50-P212 HydrophobicContact CG-CB 3.73Å; V196-P212 HydrophobicContact CB-CB 4.28Å; V196-P212 HydrophobicContact CB-CG 4.02Å; V196-P212 HydrophobicContact CG1-CB 3.91Å; V196-P212 HydrophobicContact CG1-CG 4.09Å; V196-P212 HydrophobicContact CG2-CB 4.48Å; V196-P212 HydrophobicContact CG2-CG 3.74Å; P212-L214 HydrophobicContact CB-CD2 4.19Å
213E90.2Very high85.8Confident83 Ų8367.7 Ų67.739%0.38838%0.381SS..  trans-103.195.1169.1-172.8-178.5-159.100109.4R144 T211 H215 R216R144-E213 IonicContact CZ-OE1 3.63Å; R144-E213 IonicContact NH1-OE1 3.35Å; R144-E213 PolarHBondContact NH1-OE1 3.25Å; R144-E213 IonicContact NH2-OE1 3.95Å; R144-E213 PolarHBondContact NH2-OE1 3.05Å; R144-E213 IonicContact NH2-OE2 3.21Å; T211-E213 PolarHBondContact O-N 3.42Å; E213-H215 VanDerWaalsContact C-N 3.28Å; E213-H215 PolarHBondContact O-N 2.92Å; E213-R216 HydrophobicContact CB-CG 3.99Å; E213-R216 HydrophobicContact CG-CG 3.86Å; E213-R216 WeakPolarHBondContact O-CG 3.31Å; E213-R216 PolarHBondContact O-N 3.27Å; E213-R216 WeakPolarHBondContact OE2-CD 3.4Å; E213-R216 WeakPolarHBondContact OE2-CG 3.07Å
214L92.5Very high85.8Confident25 Ų2572 Ų7213%0.13140%0.399CS..THydrogen-bonded Turntrans-64.2-31.9-172.2-54.6-173.1000112.7Y107 F185 L187 V196 P212 R216 Y220Y107-L214 HydrophobicContact CD1-CD1 3.95Å; Y107-L214 HydrophobicContact CE1-CD1 3.88Å; F185-L214 HydrophobicContact CD1-CD2 3.72Å; F185-L214 HydrophobicContact CD2-CB 4.4Å; F185-L214 HydrophobicContact CD2-CD1 4.29Å; F185-L214 HydrophobicContact CD2-CD2 4.42Å; F185-L214 HydrophobicContact CE1-CD2 3.76Å; F185-L214 HydrophobicContact CE2-CB 3.96Å; F185-L214 HydrophobicContact CE2-CD2 4.45Å; F185-L214 HydrophobicContact CG-CD1 4.36Å; F185-L214 HydrophobicContact CG-CD2 4.06Å; F185-L214 HydrophobicContact CZ-CB 4.01Å; F185-L214 HydrophobicContact CZ-CD2 4.12Å; L187-L214 HydrophobicContact CD1-CD1 4.41Å; L187-L214 HydrophobicContact CD2-CD1 4.4Å; V196-L214 HydrophobicContact CG1-CD2 3.79Å; P212-L214 HydrophobicContact CB-CD2 4.19Å; L214-R216 PolarHBondContact O-N 3.19Å; L214-Y220 WeakPolarHBondContact O-CE1 3.43Å; L214-Y220 PolarHBondContact O-OH 2.91Å
215H90.7Very high86.2Confident37 Ų3770 Ų7017%0.17139%0.388CS..THydrogen-bonded Turntrans-84.322.6-175.3-57.5159.7000114.8Y123 D125 F139 R144 E213 I217Y123-H215 HydrophobicContact CE2-CB 4.35Å; Y123-H215 AromaticContact CE2-CD2 3.93Å; Y123-H215 AromaticContact CE2-CG 3.94Å; D125-H215 IonicContact OD2-CD2 3.82Å; D125-H215 IonicContact OD2-CE1 3.43Å; D125-H215 IonicContact OD2-NE2 2.84Å; D125-H215 PolarHBondContact OD2-NE2 3.32Å; F139-H215 AromaticContact CZ-CE1 3.57Å; R144-H215 PolarHBondContact NE-O 3.49Å; R144-H215 PolarHBondContact NH2-O 3.47Å; E213-H215 VanDerWaalsContact C-N 3.28Å; E213-H215 PolarHBondContact O-N 2.92Å; H215-I217 PolarHBondContact O-N 2.75Å
216R90.8Very high86.7Confident28 Ų2870.8 Ų70.811%0.10638%0.377CS..  trans-78.870.4168.7-65.5-17869.5-17911.8110.8V202 D204 D209 E213 L214 E218 F219V202-R216 HydrophobicContact CB-CB 4.46Å; V202-R216 WeakPolarHBondContact O-CD 3.15Å; V202-R216 PolarHBondContact O-NH1 3.22Å; D204-R216 IonicContact OD2-NH2 3.73Å; D204-R216 PolarHBondContact OD2-NH2 3.17Å; D209-R216 IonicContact OD2-NH1 3.8Å; E213-R216 HydrophobicContact CB-CG 3.99Å; E213-R216 HydrophobicContact CG-CG 3.86Å; E213-R216 WeakPolarHBondContact O-CG 3.31Å; E213-R216 PolarHBondContact O-N 3.27Å; E213-R216 WeakPolarHBondContact OE2-CD 3.4Å; E213-R216 WeakPolarHBondContact OE2-CG 3.07Å; L214-R216 PolarHBondContact O-N 3.19Å; R216-E218 WeakPolarHBondContact CA-OE2 3.26Å; R216-E218 IonicContact NE-OE1 2.7Å; R216-E218 PolarHBondContact NE-OE1 3.37Å; R216-E218 PolarHBondContact O-N 3.33Å; R216-F219 HydrophobicContact CB-CD2 3.75Å; R216-F219 HydrophobicContact CB-CE2 4.22Å; R216-F219 VanDerWaalsContact NE-CE2 3.26Å; R216-F219 PolarHBondContact O-N 2.71Å
217I91.8Very high87.4Confident27 Ų2767.2 Ų67.214%0.13836%0.364CS..G310 helixtrans-58.9-17.2-174.265.5172.1000114A117 Y123 R181 H215 F219 Y220A117-I217 HydrophobicContact CB-CB 4.34Å; A117-I217 HydrophobicContact CB-CG2 4.2Å; Y123-I217 HydrophobicContact CD1-CG2 4.33Å; Y123-I217 HydrophobicContact CG-CG2 4.35Å; R181-I217 WeakPolarHBondContact CD-O 3.41Å; H215-I217 PolarHBondContact O-N 2.75Å; I217-F219 PolarHBondContact O-N 3.28Å; I217-Y220 HydrophobicContact CB-CD2 4.27Å; I217-Y220 HydrophobicContact CB-CE2 4.29Å; I217-Y220 HydrophobicContact CG2-CD2 4.28Å; I217-Y220 HydrophobicContact CG2-CE2 3.82Å; I217-Y220 WeakPolarHBondContact O-CB 3.47Å; I217-Y220 PolarHBondContact O-N 2.87Å
218E91.1Very high88.7Confident111 Ų11158.4 Ų58.452%0.51932%0.318SS..G310 helixtrans-65.5-24.2174.767.5-84.2-162.800113.4R216R216-E218 WeakPolarHBondContact CA-OE2 3.26Å; R216-E218 IonicContact NE-OE1 2.7Å; R216-E218 PolarHBondContact NE-OE1 3.37Å; R216-E218 PolarHBondContact O-N 3.33Å
219F94Very high89.6Confident52 Ų5255.6 Ų55.623%0.22829%0.289CS..G310 helixtrans-86.2-11.9176.9-68.7-88.8000113.5Q200 P201 V202 D204 R216 I217Q200-F219 WeakPolarHBondContact CG-O 3.24Å; P201-F219 WeakPolarHBondContact O-CB 3.31Å; V202-F219 HydrophobicContact CG1-CB 4.42Å; D204-F219 HydrophobicContact CB-CE1 4.28Å; D204-F219 HydrophobicContact CB-CZ 4Å; R216-F219 HydrophobicContact CB-CD2 3.75Å; R216-F219 HydrophobicContact CB-CE2 4.22Å; R216-F219 VanDerWaalsContact NE-CE2 3.26Å; R216-F219 PolarHBondContact O-N 2.71Å; I217-F219 PolarHBondContact O-N 3.28Å
220Y96.2Very high89.9Confident12 Ų1255 Ų555%0.04729%0.287CS..PPolyproline II helixtrans-65.2146.7-171.8-7314.7000112V115 A117 R181 Y182 N183 F185 V202 L214 I217V115-Y220 HydrophobicContact CB-CE2 3.66Å; V115-Y220 HydrophobicContact CG1-CE2 3.61Å; A117-Y220 HydrophobicContact CB-CD2 4.44Å; R181-Y220 HydrophobicContact CG-CD2 4.25Å; Y182-Y220 WeakPolarHBondContact O-CB 3.43Å; N183-Y220 HydrophobicContact CB-CD1 3.55Å; N183-Y220 HydrophobicContact CB-CD2 3.92Å; N183-Y220 HydrophobicContact CB-CE1 3.64Å; N183-Y220 HydrophobicContact CB-CE2 4Å; N183-Y220 HydrophobicContact CB-CG 3.7Å; F185-Y220 HydrophobicContact CZ-CE1 4.21Å; V202-Y220 HydrophobicContact CG1-CE1 4.27Å; L214-Y220 WeakPolarHBondContact O-CE1 3.43Å; L214-Y220 PolarHBondContact O-OH 2.91Å; I217-Y220 HydrophobicContact CB-CD2 4.27Å; I217-Y220 HydrophobicContact CB-CE2 4.29Å; I217-Y220 HydrophobicContact CG2-CD2 4.28Å; I217-Y220 HydrophobicContact CG2-CE2 3.82Å; I217-Y220 WeakPolarHBondContact O-CB 3.47Å; I217-Y220 PolarHBondContact O-N 2.87Å
221K96.8Very high89.7Confident101 Ų10155.3 Ų55.344%0.43928%0.284SS..EExtended strand (participates in β ladder)trans-71.6141.8179.6-167.5-178.4-177.71780109.9R181 Y182 F199R181-K221 CarbonylContact C-O 3.45Å; R181-K221 WeakPolarHBondContact CA-O 3.33Å; R181-K221 WeakPolarHBondContact CB-O 3.42Å; Y182-K221 HydrophobicContact CD1-CB 4.43Å; Y182-K221 WeakPolarHBondContact CD1-O 3.38Å; Y182-K221 HydrophobicContact CE1-CB 4.15Å; Y182-K221 HydrophobicContact CE1-CD 4.35Å; Y182-K221 HydrophobicContact CE1-CG 4.46Å; Y182-K221 PolarHBondContact N-O 2.82Å; Y182-K221 PolarHBondContact O-N 2.88Å; F199-K221 HydrophobicContact CE1-CB 3.96Å; F199-K221 HydrophobicContact CE1-CD 3.48Å; F199-K221 VanDerWaalsContact CE1-CD 3.48Å; F199-K221 HydrophobicContact CE1-CG 4.37Å; F199-K221 HydrophobicContact CE2-CD 4.36Å; F199-K221 HydrophobicContact CZ-CD 3.29Å
222A96.9Very high89.1Confident80 Ų8052.7 Ų52.766%0.66128%0.276SS*.EExtended strand (participates in β ladder)trans-60.2140.4169.800000110.9T180T180-A222 WeakPolarHBondContact O-CA 3.2Å
223I94.8Very high88.5Confident19 Ų1952.7 Ų52.710%0.09727%0.271CS..  trans-115137.4177.2-161.7170.4000111F116 V179 T180 Y182 I225 L228F116-I223 HydrophobicContact CD1-CD1 4.21Å; F116-I223 HydrophobicContact CE1-CD1 3.9Å; V179-I223 HydrophobicContact CG1-CG2 3.96Å; T180-I223 PolarHBondContact O-N 3.25Å; Y182-I223 HydrophobicContact CD1-CB 3.55Å; Y182-I223 HydrophobicContact CD1-CD1 3.83Å; Y182-I223 HydrophobicContact CD1-CG1 3.85Å; Y182-I223 HydrophobicContact CD2-CD1 4.22Å; Y182-I223 HydrophobicContact CE1-CB 3.92Å; Y182-I223 HydrophobicContact CE1-CD1 4.2Å; Y182-I223 HydrophobicContact CE1-CG1 3.95Å; Y182-I223 HydrophobicContact CG-CB 4.29Å; Y182-I223 HydrophobicContact CG-CD1 3.81Å; Y182-I223 HydrophobicContact CG-CG1 4.35Å; I223-I225 VanDerWaalsContact C-N 3.33Å; I223-I225 HydrophobicContact CD1-CD1 4.21Å; I223-I225 HydrophobicContact CG2-CB 4.18Å; I223-I225 HydrophobicContact CG2-CD1 4.43Å; I223-I225 PolarHBondContact O-N 2.83Å; I223-L228 HydrophobicContact CD1-CD1 3.66Å
224Q91.7Very high87.8Confident108 Ų10849.8 Ų49.851%0.50526%0.258SS..  trans-86.281.9163.6-69.8-173.7-14.700107.4D226 R227Q224-D226 WeakPolarHBondContact CA-OD1 3.39Å; Q224-D226 PolarHBondContact O-N 2.9Å; Q224-R227 HydrophobicContact CB-CG 4.07Å; Q224-R227 WeakPolarHBondContact O-CB 3.43Å; Q224-R227 PolarHBondContact O-N 2.89Å
225I91.2Very high86.8Confident16 Ų1653.5 Ų53.58%0.08228%0.278CS..G310 helixtrans-63-25.6-172.6-16665000112.6V179 I223 R227 L228 I229 N234V179-I225 HydrophobicContact CB-CD1 3.99Å; V179-I225 HydrophobicContact CB-CG1 4.07Å; V179-I225 HydrophobicContact CG1-CD1 4.08Å; V179-I225 HydrophobicContact CG2-CD1 4.47Å; I223-I225 VanDerWaalsContact C-N 3.33Å; I223-I225 HydrophobicContact CD1-CD1 4.21Å; I223-I225 HydrophobicContact CG2-CB 4.18Å; I223-I225 HydrophobicContact CG2-CD1 4.43Å; I223-I225 PolarHBondContact O-N 2.83Å; I225-R227 PolarHBondContact O-N 2.79Å; I225-R227 VanDerWaalsContact O-N 3.14Å; I225-L228 HydrophobicContact CD1-CB 4.47Å; I225-L228 CarbonylContact O-C 3.47Å; I225-L228 PolarHBondContact O-N 2.82Å; I225-I229 HydrophobicContact CD1-CD1 3.94Å; I225-I229 HydrophobicContact CD1-CG1 4.31Å; I225-I229 HydrophobicContact CG1-CB 4.34Å; I225-I229 HydrophobicContact CG1-CD1 4.1Å; I225-I229 HydrophobicContact CG1-CG1 4.38Å; I225-I229 PolarHBondContact O-N 2.84Å; I225-N234 WeakPolarHBondContact CG2-ND2 3.45Å
226D86.7Confident85.7Confident80 Ų8056.8 Ų56.843%0.42829%0.293SS..G310 helixtrans-60.2-16.1172.956.7-65000113.2L39 Q224L39-D226 WeakPolarHBondContact CD2-O 3.32Å; Q224-D226 WeakPolarHBondContact CA-OD1 3.39Å; Q224-D226 PolarHBondContact O-N 2.9Å
227R89.2Confident84.4Confident108 Ų10857.1 Ų57.141%0.40830%0.3SS..G310 helixtrans-81-17.7170-61.7-176.9176.5-165-0.7114.1G41 Q224 I225G41-R227 PolarHBondContact N-O 2.84Å; Q224-R227 HydrophobicContact CB-CG 4.07Å; Q224-R227 WeakPolarHBondContact O-CB 3.43Å; Q224-R227 PolarHBondContact O-N 2.89Å; I225-R227 PolarHBondContact O-N 2.79Å; I225-R227 VanDerWaalsContact O-N 3.14Å
228L88.8Confident82.9Confident1 Ų159.6 Ų59.61%0.00531%0.313CS..THydrogen-bonded Turntrans-115.4-30.6-174.5-66.8-177.3000113.5N42 L65 W67 F116 I223 I225N42-L228 HydrophobicContact CB-CD1 4.22Å; N42-L228 HydrophobicContact CB-CD2 3.84Å; N42-L228 HydrophobicContact CB-CG 4.18Å; L65-L228 HydrophobicContact CB-CD1 4.19Å; L65-L228 HydrophobicContact CB-CD2 3.57Å; L65-L228 HydrophobicContact CD2-CD1 3.94Å; L65-L228 VanDerWaalsContact O-CD2 3.22Å; L65-L228 WeakPolarHBondContact O-CD2 3.2Å; W67-L228 WeakPolarHBondContact CB-O 3.49Å; F116-L228 HydrophobicContact CE1-CD1 4.43Å; I223-L228 HydrophobicContact CD1-CD1 3.66Å; I225-L228 HydrophobicContact CD1-CB 4.47Å; I225-L228 CarbonylContact O-C 3.47Å; I225-L228 PolarHBondContact O-N 2.82Å
229I85.6Confident81.7Confident2 Ų255.5 Ų55.51%0.0129%0.293CS..SBendtrans-131.6122-177.1-62.4178.5000107V81 L172 F175 I225 F233 N234V81-I229 HydrophobicContact CG2-CD1 4.3Å; V81-I229 HydrophobicContact CG2-CG1 3.87Å; L172-I229 HydrophobicContact CD1-CD1 3.96Å; L172-I229 HydrophobicContact CD1-CG1 4.36Å; L172-I229 HydrophobicContact CD1-CG2 3.71Å; F175-I229 HydrophobicContact CD1-CD1 4.04Å; F175-I229 HydrophobicContact CD2-CD1 4.15Å; F175-I229 HydrophobicContact CE1-CD1 4.26Å; F175-I229 HydrophobicContact CE2-CD1 4.38Å; F175-I229 HydrophobicContact CG-CD1 3.97Å; F175-I229 HydrophobicContact CZ-CD1 4.43Å; I225-I229 HydrophobicContact CD1-CD1 3.94Å; I225-I229 HydrophobicContact CD1-CG1 4.31Å; I225-I229 HydrophobicContact CG1-CB 4.34Å; I225-I229 HydrophobicContact CG1-CD1 4.1Å; I225-I229 HydrophobicContact CG1-CG1 4.38Å; I225-I229 PolarHBondContact O-N 2.84Å; I229-F233 HydrophobicContact CG2-CB 3.56Å; I229-N234 HydrophobicContact CG2-CB 4.26Å
230P79.7Confident79.6Confident12 Ų1258.6 Ų58.68%0.07832%0.316CS..  trans-59.8151.9-179.2-8.212.9000112.4L35 L39 W67 F233L35-P230 HydrophobicContact CD2-CB 3.94Å; L39-P230 HydrophobicContact CD1-CG 3.95Å; W67-P230 VanDerWaalsContact CD2-CD 3.49Å; W67-P230 HydrophobicContact CD2-CG 3.96Å; W67-P230 HydrophobicContact CG-CG 4.34Å; W67-P230 HydrophobicContact CH2-CG 4.36Å; W67-P230 HydrophobicContact CZ2-CG 3.8Å; P230-F233 HydrophobicContact CB-CD2 3.88Å; P230-F233 HydrophobicContact CB-CE2 4.3Å; P230-F233 HydrophobicContact CG-CD2 3.93Å; P230-F233 HydrophobicContact CG-CE2 4.29Å; P230-F233 WeakPolarHBondContact O-CB 3.5Å; P230-F233 PolarHBondContact O-N 2.99Å; P230-F233 VanDerWaalsContact O-N 3.13Å
231D72.7Confident77.2Confident115 Ų11560.8 Ų60.862%0.61534%0.337SS*.THydrogen-bonded Turntrans-51.4140.9179.4-68.3-25.2000112.5L35 F233L35-D231 HydrophobicContact CD2-CB 3.96Å; D231-F233 VanDerWaalsContact C-N 3.26Å; D231-F233 PolarHBondContact O-N 2.88Å
232G71.1Confident74.8Confident40 Ų4057.7 Ų57.741%0.41232%0.324SS..THydrogen-bonded Turntrans84.4-19.9-176.700000115D235G232-D235 WeakPolarHBondContact CA-OD2 3.29Å
233F75.3Confident72.1Confident49 Ų4957.7 Ų57.722%0.21532%0.319CS..SBendtrans-85.3-19176.6-70.8-69.5000113.8L172 I229 P230 D231L172-F233 HydrophobicContact CD1-CB 4.16Å; L172-F233 HydrophobicContact CD2-CB 3.8Å; L172-F233 HydrophobicContact CD2-CD1 3.55Å; L172-F233 HydrophobicContact CD2-CE1 4.42Å; L172-F233 HydrophobicContact CD2-CG 3.9Å; I229-F233 HydrophobicContact CG2-CB 3.56Å; P230-F233 HydrophobicContact CB-CD2 3.88Å; P230-F233 HydrophobicContact CB-CE2 4.3Å; P230-F233 HydrophobicContact CG-CD2 3.93Å; P230-F233 HydrophobicContact CG-CE2 4.29Å; P230-F233 WeakPolarHBondContact O-CB 3.5Å; P230-F233 PolarHBondContact O-N 2.99Å; P230-F233 VanDerWaalsContact O-N 3.13Å; D231-F233 VanDerWaalsContact C-N 3.26Å; D231-F233 PolarHBondContact O-N 2.88Å
234N77.4Confident69.5Low22 Ų2264.6 Ų64.612%0.11835%0.351CS..SBendtrans-89.2-10.7176.7-172.546.7000113.1A177 A178 V179 I225 I229 H236A177-N234 CarbonylContact C-O 3.56Å; A177-N234 WeakPolarHBondContact CA-O 3.47Å; A178-N234 WeakPolarHBondContact CA-ND2 3.23Å; A178-N234 PolarHBondContact N-O 3.01Å; A178-N234 PolarHBondContact N-OD1 2.82Å; V179-N234 PolarHBondContact N-ND2 3.07Å; V179-N234 PolarHBondContact N-OD1 2.81Å; I225-N234 WeakPolarHBondContact CG2-ND2 3.45Å; I229-N234 HydrophobicContact CG2-CB 4.26Å; N234-H236 VanDerWaalsContact C-N 3.34Å; N234-H236 PolarHBondContact O-N 3.24Å
235D70.5Confident66.9Low104 Ų10466.5 Ų66.556%0.55636%0.359SS*.SBendtrans-75-24.6-172-64.6-25000113.4G232G232-D235 WeakPolarHBondContact CA-OD2 3.29Å
236H66.9Low64.4Low105 Ų10570.3 Ų70.349%0.48638%0.377SS..SBendtrans-129.9128.2-174.6-58.4-62.5000110.5L25 N234L25-H236 VanDerWaalsContact CD1-CD2 3.49Å; L25-H236 WeakPolarHBondContact CD1-CD2 3.3Å; N234-H236 VanDerWaalsContact C-N 3.34Å; N234-H236 PolarHBondContact O-N 3.24Å
237S64.8Low62.1Low36 Ų3672.7 Ų72.725%0.25238%0.38SS..  trans-76.9140.3169.963.50000109.2W239S237-W239 VanDerWaalsContact C-N 3.26Å
238L60Low59.7Low78 Ų7870.1 Ų70.141%0.40838%0.379SS..  trans-91.49.5172.7-57.4179000112.1A173 T240 A241 M242A173-L238 HydrophobicContact CB-CB 3.8Å; A173-L238 HydrophobicContact CB-CD1 3.83Å; A173-L238 HydrophobicContact CB-CG 4.4Å; L238-T240 PolarHBondContact O-N 3.37Å; L238-A241 WeakPolarHBondContact O-CA 3.48Å; L238-A241 WeakPolarHBondContact O-CB 3.38Å; L238-A241 PolarHBondContact O-N 2.86Å; L238-M242 WeakPolarHBondContact O-CG 3.38Å; L238-M242 PolarHBondContact O-N 2.87Å
239W65.2Low57.7Low26 Ų2673.3 Ų73.310%0.09839%0.393CS..THydrogen-bonded Turntrans-51.9-42-177.8-67.4-2.4000112.7Q122 M138 F139 K148 Y174 F175 P176 S237Q122-W239 HydrophobicContact CB-CH2 3.55Å; Q122-W239 HydrophobicContact CB-CZ3 3.82Å; Q122-W239 HydrophobicContact CG-CH2 4.02Å; Q122-W239 HydrophobicContact CG-CZ3 3.74Å; M138-W239 HydrophobicContact CB-CZ2 4.46Å; M138-W239 HydrophobicContact CG-CZ2 4.45Å; M138-W239 HydrophobicContact SD-CG 4.38Å; F139-W239 WeakPolarHBondContact O-CH2 3.5Å; K148-W239 PolarHBondContact NZ-O 2.61Å; Y174-W239 PolarHBondContact O-NE1 2.87Å; F175-W239 PolarHBondContact O-NE1 3.02Å; P176-W239 HydrophobicContact CB-CH2 3.81Å; P176-W239 HydrophobicContact CB-CZ2 3.47Å; P176-W239 VanDerWaalsContact CB-CZ2 3.47Å; P176-W239 HydrophobicContact CG-CZ2 4.06Å; S237-W239 VanDerWaalsContact C-N 3.26Å
240T49.5Very low56.3Low117 Ų11776.8 Ų76.872%0.71842%0.415SS*.THydrogen-bonded Turntrans-68.9-33.3177.2-44.80000112.7L238 S243L238-T240 PolarHBondContact O-N 3.37Å; T240-S243 PolarHBondContact O-OG 2.99Å; T240-S243 VanDerWaalsContact O-OG 3.11Å
241A45.9Very low55.6Low58 Ų5877.4 Ų77.448%0.47942%0.418SS..G310 helixtrans-77.1-30179.500000112.2L238 S243 H244L238-A241 WeakPolarHBondContact O-CA 3.48Å; L238-A241 WeakPolarHBondContact O-CB 3.38Å; L238-A241 PolarHBondContact O-N 2.86Å; A241-S243 PolarHBondContact O-N 2.86Å; A241-H244 PolarHBondContact O-N 2.87Å
242M47Very low55.6Low36 Ų3678 Ų7818%0.17742%0.415CS..G310 helixtrans-70.3-7.9-178.6-76.1-178.16400114.8M138 K148 L151 A173 Y174 L238 H244M138-M242 HydrophobicContact CE-CE 4.12Å; M138-M242 HydrophobicContact CE-SD 4.04Å; K148-M242 PolarHBondContact NZ-O 2.87Å; L151-M242 HydrophobicContact CD2-CE 3.58Å; A173-M242 VanDerWaalsContact C-SD 3.55Å; A173-M242 HydrophobicContact CB-CG 3.79Å; A173-M242 HydrophobicContact CB-SD 3.52Å; A173-M242 VanDerWaalsContact CB-SD 3.52Å; Y174-M242 HydrophobicContact CD1-CE 3.35Å; Y174-M242 HydrophobicContact CD1-SD 3.68Å; Y174-M242 HydrophobicContact CE1-CE 3.16Å; Y174-M242 HydrophobicContact CE1-SD 4.05Å; L238-M242 WeakPolarHBondContact O-CG 3.38Å; L238-M242 PolarHBondContact O-N 2.87Å; M242-H244 PolarHBondContact O-N 2.83Å
243S41.3Very low55.9Low79 Ų7976.2 Ų76.255%0.55240%0.396SS*.G310 helixtrans-73.2-6.8172.953.40000113.2T240 A241T240-S243 PolarHBondContact O-OG 2.99Å; T240-S243 VanDerWaalsContact O-OG 3.11Å; A241-S243 PolarHBondContact O-N 2.86Å
244H39.3Very low56.1Low164 Ų16479 Ų7976%0.75942%0.419SS*.SBendtrans-122.83.8-170.9-70-96.2000116.2A241 M242A241-H244 PolarHBondContact O-N 2.87Å; M242-H244 PolarHBondContact O-N 2.83Å
245Q38.1Very low56.4Low148 Ų14883.2 Ų83.269%0.69244%0.442SS*.  trans-107.5103-179.3-79.4-173.6-2900112.2
246Q38Very low57Low97 Ų9780.4 Ų80.445%0.45343%0.43SS..  trans-112.9118.7178.6179.5176-17.200109L283Q246-L283 HydrophobicContact CG-CB 4.39Å; Q246-L283 WeakPolarHBondContact CG-O 3.41Å; Q246-L283 VanDerWaalsContact NE2-N 3.13Å; Q246-L283 PolarHBondContact NE2-O 2.91Å
247W37.2Very low57.5Low130 Ų13083.1 Ų83.149%0.49244%0.442SS..PPolyproline II helixtrans-92.6132.2174.8-68.584.4000110P76 Q286P76-W247 HydrophobicContact CB-CZ2 4.41Å; P76-W247 HydrophobicContact CG-CH2 3.15Å; P76-W247 HydrophobicContact CG-CZ2 3.3Å; P76-W247 HydrophobicContact CG-CZ3 4.33Å; W247-Q286 HydrophobicContact CB-CG 3.73Å; W247-Q286 VanDerWaalsContact CD1-CD 3.4Å; W247-Q286 HydrophobicContact CG-CG 3.95Å
248S40Very low57.8Low54 Ų5482.8 Ų82.838%0.37844%0.44SS..PPolyproline II helixtrans-92.1128.2-172.730.80000113.3F262S248-F262 VanDerWaalsContact CB-CD2 3.45Å; S248-F262 VanDerWaalsContact CB-CG 3.49Å; S248-F262 VanDerWaalsContact OG-CD1 3.23Å; S248-F262 WeakPolarHBondContact OG-CD1 3.21Å; S248-F262 WeakPolarHBondContact OG-CG 3.28Å
249F46.9Very low58.4Low68 Ų6884.2 Ų84.230%0.29845%0.447SS..PPolyproline II helixtrans-73.7159165.2-82.8-109.8000111.2I251 L283 L287F249-I251 PolarHBondContact O-N 3.09Å; F249-I251 VanDerWaalsContact O-N 3.16Å; F249-L283 HydrophobicContact CB-CD2 4.49Å; F249-L283 HydrophobicContact CD2-CD2 3.96Å; F249-L287 HydrophobicContact CD1-CD1 3.21Å; F249-L287 HydrophobicContact CD1-CD2 4.18Å; F249-L287 HydrophobicContact CD1-CG 4.15Å; F249-L287 HydrophobicContact CD2-CD1 3.79Å; F249-L287 HydrophobicContact CE1-CB 4.33Å; F249-L287 HydrophobicContact CE1-CD1 3.06Å; F249-L287 HydrophobicContact CE1-CD2 3.14Å; F249-L287 HydrophobicContact CE1-CG 3.48Å; F249-L287 VanDerWaalsContact CE1-CG 3.48Å; F249-L287 HydrophobicContact CE2-CB 3.92Å; F249-L287 HydrophobicContact CE2-CD1 3.64Å; F249-L287 HydrophobicContact CE2-CD2 4.23Å; F249-L287 HydrophobicContact CE2-CG 3.97Å; F249-L287 HydrophobicContact CG-CD1 3.61Å; F249-L287 HydrophobicContact CZ-CB 3.75Å; F249-L287 HydrophobicContact CZ-CD1 3.31Å; F249-L287 HydrophobicContact CZ-CD2 3.2Å; F249-L287 HydrophobicContact CZ-CG 3.4Å
250P55.4Low58.7Low74 Ų7483.3 Ų83.348%0.48144%0.444SS..PPolyproline II helixtrans-58.3119.8159.525.5-30.6000108.9I259P250-I259 HydrophobicContact CB-CG2 3.85Å
251I65.5Low59.4Low26 Ų2682.3 Ų82.313%0.13344%0.438CS..EExtended strand (participates in β ladder)trans-90.1138.4172.1-59168.7000106.6F249 V260 F262 L280 P281 L283F249-I251 PolarHBondContact O-N 3.09Å; F249-I251 VanDerWaalsContact O-N 3.16Å; I251-V260 VanDerWaalsContact O-CB 3.3Å; I251-V260 WeakPolarHBondContact O-CB 3.49Å; I251-V260 WeakPolarHBondContact O-CG2 3.42Å; I251-V260 PolarHBondContact O-N 2.93Å; I251-F262 HydrophobicContact CD1-CD2 4.36Å; I251-L280 HydrophobicContact CD1-CD2 3.84Å; I251-P281 HydrophobicContact CD1-CG 4.33Å; I251-L283 HydrophobicContact CD1-CD1 4.11Å; I251-L283 HydrophobicContact CG1-CD1 4.3Å
252F73.4Confident60.2Low128 Ų12882.9 Ų82.956%0.56143%0.43SS*.EExtended strand (participates in β ladder)trans-90.5140.2173-64-85.6000110.1E257 I259F252-E257 WeakPolarHBondContact CD1-O 3.31Å; F252-I259 HydrophobicContact CD1-CG1 4.04Å; F252-I259 HydrophobicContact CE1-CD1 4.37Å; F252-I259 HydrophobicContact CE1-CG1 3.65Å; F252-I259 HydrophobicContact CZ-CG1 4.5Å
253C75.5Confident60.9Low2 Ų283.9 Ų83.91%0.01444%0.436CS..PPolyproline II helixtrans-66.1125.7175.5177.40000110N255 E257 S258 V260 C271 C274 I278C253-N255 PolarHBondContact O-N 2.78Å; C253-N255 VanDerWaalsContact O-N 3.16Å; C253-N255 PolarHBondContact SG-N 3.41Å; C253-N255 VanDerWaalsContact SG-N 3.44Å; C253-E257 VanDerWaalsContact O-CA 3.24Å; C253-E257 WeakPolarHBondContact O-CA 3.3Å; C253-E257 PolarHBondContact O-N 3.15Å; C253-S258 WeakPolarHBondContact CB-O 3.45Å; C253-S258 PolarHBondContact N-O 3.17Å; C253-V260 HydrophobicContact CB-CG2 3.81Å; C253-C271 HydrophobicContact CB-CB 4.06Å; C253-C271 VanDerWaalsContact SG-SG 3.64Å; C253-C274 PolarHBondContact SG-SG 3.35Å; C253-I278 HydrophobicContact CB-CD1 4.02Å
254P80Confident61.7Low107 Ų10785.8 Ų85.870%0.69544%0.44SS*.THydrogen-bonded Turntrans-68.2-15.6-179.428.1-34.9000113.6I278P254-I278 HydrophobicContact CG-CG1 4.4Å
255N83.3Confident62.8Low110 Ų11086.4 Ų86.459%0.58844%0.441SS*.THydrogen-bonded Turntrans-96.8-35.3-177.1-170.335.6000113.5C253 E276C253-N255 PolarHBondContact O-N 2.78Å; C253-N255 VanDerWaalsContact O-N 3.16Å; C253-N255 PolarHBondContact SG-N 3.41Å; C253-N255 VanDerWaalsContact SG-N 3.44Å; N255-E276 HydrophobicContact CB-CB 4.39Å; N255-E276 HydrophobicContact CB-CG 4.37Å
256C84.8Confident64Low45 Ų4584.5 Ų84.530%0.30443%0.432SS..THydrogen-bonded Turntrans-134.58.4-174.669.80000114.5S258 C271 C274C256-S258 PolarHBondContact O-N 2.92Å; C256-S258 PolarHBondContact O-OG 3.06Å; C256-S258 PolarHBondContact SG-OG 3.31Å; C256-S258 VanDerWaalsContact SG-OG 3.42Å; C256-C271 PolarHBondContact SG-SG 2.54Å; C256-C274 HydrophobicContact CB-CB 3.94Å; C256-C274 PolarHBondContact SG-SG 2.79Å
257E76.6Confident65.5Low162 Ų16282.2 Ų82.276%0.75743%0.434SS*.  trans607175.8-57.3-180179.300115.6F252 C253F252-E257 WeakPolarHBondContact CD1-O 3.31Å; C253-E257 VanDerWaalsContact O-CA 3.24Å; C253-E257 WeakPolarHBondContact O-CA 3.3Å; C253-E257 PolarHBondContact O-N 3.15Å
258S71.3Confident67.3Low29 Ų2978.3 Ų78.320%0.20342%0.421CS..PPolyproline II helixtrans-71.7145.5178.1-57.90000111.3C253 C256 V260 D273C253-S258 WeakPolarHBondContact CB-O 3.45Å; C253-S258 PolarHBondContact N-O 3.17Å; C256-S258 PolarHBondContact O-N 2.92Å; C256-S258 PolarHBondContact O-OG 3.06Å; C256-S258 PolarHBondContact SG-OG 3.31Å; C256-S258 VanDerWaalsContact SG-OG 3.42Å; S258-V260 PolarHBondContact O-N 3.23Å; S258-D273 WeakPolarHBondContact CB-OD2 3.4Å; S258-D273 PolarHBondContact OG-OD2 2.72Å; S258-D273 VanDerWaalsContact OG-OD2 3.08Å
259I72.6Confident69.1Low109 Ų10975.9 Ų75.956%0.55940%0.404SS*.EExtended strand (participates in β ladder)trans-67125.2177.5-64.1171.1000109P250 F252P250-I259 HydrophobicContact CB-CG2 3.85Å; F252-I259 HydrophobicContact CD1-CG1 4.04Å; F252-I259 HydrophobicContact CE1-CD1 4.37Å; F252-I259 HydrophobicContact CE1-CG1 3.65Å; F252-I259 HydrophobicContact CZ-CG1 4.5Å
260V71.9Confident70.7Confident6 Ų675.9 Ų75.94%0.03641%0.409CS..EExtended strand (participates in β ladder)trans-98.6132.1-177.7-172.50000109.5I251 C253 S258 C269 I278I251-V260 VanDerWaalsContact O-CB 3.3Å; I251-V260 WeakPolarHBondContact O-CB 3.49Å; I251-V260 WeakPolarHBondContact O-CG2 3.42Å; I251-V260 PolarHBondContact O-N 2.93Å; C253-V260 HydrophobicContact CB-CG2 3.81Å; S258-V260 PolarHBondContact O-N 3.23Å; V260-C269 HydrophobicContact CG1-CB 3.39Å; V260-I278 HydrophobicContact CB-CD1 4.49Å; V260-I278 HydrophobicContact CG1-CD1 4.29Å; V260-I278 HydrophobicContact CG2-CD1 3.56Å
261T64.4Low71.8Confident96 Ų9672.4 Ų72.459%0.58939%0.386SS*.PPolyproline II helixtrans-79.6132.4172.653.80000110.4
262F62.9Low72.5Confident70 Ų7075 Ų7531%0.30740%0.403SS..PPolyproline II helixtrans-74.5128.1176.6-166.7-98.2000110.9S248 I251 D264 L280S248-F262 VanDerWaalsContact CB-CD2 3.45Å; S248-F262 VanDerWaalsContact CB-CG 3.49Å; S248-F262 VanDerWaalsContact OG-CD1 3.23Å; S248-F262 WeakPolarHBondContact OG-CD1 3.21Å; S248-F262 WeakPolarHBondContact OG-CG 3.28Å; I251-F262 HydrophobicContact CD1-CD2 4.36Å; F262-D264 HydrophobicContact CD1-CB 4.17Å; F262-D264 HydrophobicContact CE1-CB 3.64Å; F262-L280 HydrophobicContact CD2-CD1 4.47Å; F262-L280 HydrophobicContact CD2-CD2 3.53Å; F262-L280 HydrophobicContact CE2-CD1 3.75Å; F262-L280 HydrophobicContact CE2-CD2 3.31Å; F262-L280 HydrophobicContact CE2-CG 4.13Å; F262-L280 HydrophobicContact CZ-CD1 3.92Å; F262-L280 HydrophobicContact CZ-CD2 4.31Å
263D61.6Low72.8Confident58 Ų5874 Ų7431%0.3140%0.404SS..  trans-120.9107.8165.7-176.92.9000107.8K265 Q266D263-K265 PolarHBondContact O-N 2.94Å; D263-K265 WeakPolarHBondContact OD1-CB 3.33Å; D263-K265 PolarHBondContact OD1-N 3.22Å; D263-Q266 PolarHBondContact OD2-NE2 3.14Å
264D58Low73.5Confident118 Ų11875.8 Ų75.863%0.63142%0.416SS*.THydrogen-bonded Turntrans-70.2-13.9-174.362.7-25.2000113.1F262F262-D264 HydrophobicContact CD1-CB 4.17Å; F262-D264 HydrophobicContact CE1-CB 3.64Å
265K61.8Low73.8Confident178 Ų17877.4 Ų77.477%0.77441%0.412SS*.THydrogen-bonded Turntrans-82.4-18.4-170.5-61-176.9-176.8175.20114.7D263D263-K265 PolarHBondContact O-N 2.94Å; D263-K265 WeakPolarHBondContact OD1-CB 3.33Å; D263-K265 PolarHBondContact OD1-N 3.22Å
266Q63.6Low73.9Confident108 Ų10876.3 Ų76.351%0.50540%0.403SS..SBendtrans-117.4-7.6-166.7-59-1744900114.4D263 F268D263-Q266 PolarHBondContact OD2-NE2 3.14Å; Q266-F268 HydrophobicContact CB-CD1 4.03Å; Q266-F268 HydrophobicContact CB-CE1 3.67Å; Q266-F268 HydrophobicContact CB-CE2 4.37Å; Q266-F268 HydrophobicContact CB-CZ 3.87Å; Q266-F268 WeakPolarHBondContact O-CD1 3.27Å; Q266-F268 WeakPolarHBondContact O-CE1 3.48Å; Q266-F268 PolarHBondContact O-N 2.67Å
267G69.6Low73.9Confident49 Ų4980 Ų8051%0.50542%0.415SS..SBendtrans722.8-177.400000114.6L280G267-L280 PolarHBondContact O-N 3.12Å
268F75Confident74Confident48 Ų4873.2 Ų73.221%0.21138%0.383CS..EExtended strand (participates in β ladder)trans-145.2158.4174.961.6-94000109.6Q266 V270 K277 I278Q266-F268 HydrophobicContact CB-CD1 4.03Å; Q266-F268 HydrophobicContact CB-CE1 3.67Å; Q266-F268 HydrophobicContact CB-CE2 4.37Å; Q266-F268 HydrophobicContact CB-CZ 3.87Å; Q266-F268 WeakPolarHBondContact O-CD1 3.27Å; Q266-F268 WeakPolarHBondContact O-CE1 3.48Å; Q266-F268 PolarHBondContact O-N 2.67Å; F268-V270 HydrophobicContact CD2-CG2 3.94Å; F268-V270 HydrophobicContact CE2-CG2 3.75Å; F268-K277 HydrophobicContact CB-CG 4.16Å; F268-K277 HydrophobicContact CD2-CD 4.08Å; F268-K277 HydrophobicContact CD2-CG 3.69Å; F268-K277 VanDerWaalsContact CE1-CE 3.45Å; F268-K277 HydrophobicContact CE2-CD 4.35Å; F268-K277 HydrophobicContact CE2-CG 4.31Å; F268-K277 HydrophobicContact CG-CD 4.22Å; F268-K277 HydrophobicContact CG-CG 4Å; F268-I278 CarbonylContact C-O 3.06Å; F268-I278 VanDerWaalsContact CA-O 3.31Å; F268-I278 WeakPolarHBondContact CA-O 3.27Å; F268-I278 WeakPolarHBondContact CB-O 3.46Å
269C76.5Confident74.2Confident3 Ų375.6 Ų75.62%0.0240%0.404CS..EExtended strand (participates in β ladder)trans-109.4153.7167.1-58.30000110.3V260 I278 L280V260-C269 HydrophobicContact CG1-CB 3.39Å; C269-I278 PolarHBondContact N-O 2.74Å; C269-I278 PolarHBondContact O-N 2.77Å; C269-L280 WeakPolarHBondContact SG-CD2 3.4Å
270V81.8Confident73.9Confident68 Ų6872.3 Ų72.341%0.41239%0.388SS..EExtended strand (participates in β ladder)trans-113124.6172.4-178.50000107.6F268 V272 E276F268-V270 HydrophobicContact CD2-CG2 3.94Å; F268-V270 HydrophobicContact CE2-CG2 3.75Å; V270-V272 PolarHBondContact O-N 2.76Å; V270-E276 WeakPolarHBondContact CA-O 3.37Å
271C78.7Confident73.2Confident0 Ų075.1 Ų75.10%041%0.406CS..  trans-61.6129.6175.4177.70000110.1C253 C256 D273 C274 K275 E276 I278C253-C271 HydrophobicContact CB-CB 4.06Å; C253-C271 VanDerWaalsContact SG-SG 3.64Å; C256-C271 PolarHBondContact SG-SG 2.54Å; C271-D273 VanDerWaalsContact C-N 3.27Å; C271-D273 PolarHBondContact O-N 2.96Å; C271-D273 PolarHBondContact SG-N 3.28Å; C271-D273 VanDerWaalsContact SG-N 3.45Å; C271-C274 PolarHBondContact SG-N 2.65Å; C271-C274 VanDerWaalsContact SG-N 3.44Å; C271-K275 WeakPolarHBondContact O-CA 3.29Å; C271-K275 PolarHBondContact O-N 3.37Å; C271-K275 VanDerWaalsContact O-N 3.09Å; C271-E276 HydrophobicContact CB-CB 4.41Å; C271-E276 PolarHBondContact N-O 3.26Å; C271-I278 HydrophobicContact CB-CD1 4.34Å
272V79.9Confident72.8Confident81 Ų8178.9 Ų78.949%0.49142%0.417SS..THydrogen-bonded Turntrans-64.7-35.7-179.9-178.70000110.9V270 K275V270-V272 PolarHBondContact O-N 2.76Å; V272-K275 WeakPolarHBondContact O-CE 3.41Å; V272-K275 PolarHBondContact O-NZ 3.38Å
273D80Confident72.1Confident106 Ų10677 Ų7757%0.56741%0.41SS*.THydrogen-bonded Turntrans-85.1-61.3-174.3-57.8-71.7000112.8S258 C271S258-D273 WeakPolarHBondContact CB-OD2 3.4Å; S258-D273 PolarHBondContact OG-OD2 2.72Å; S258-D273 VanDerWaalsContact OG-OD2 3.08Å; C271-D273 VanDerWaalsContact C-N 3.27Å; C271-D273 PolarHBondContact O-N 2.96Å; C271-D273 PolarHBondContact SG-N 3.28Å; C271-D273 VanDerWaalsContact SG-N 3.45Å
274C88.6Confident71.3Confident40 Ų4080.4 Ų80.427%0.2743%0.428SS..THydrogen-bonded Turntrans-93.4-2.7-175.772.40000115.2C253 C256 C271 E276C253-C274 PolarHBondContact SG-SG 3.35Å; C256-C274 HydrophobicContact CB-CB 3.94Å; C256-C274 PolarHBondContact SG-SG 2.79Å; C271-C274 PolarHBondContact SG-N 2.65Å; C271-C274 VanDerWaalsContact SG-N 3.44Å; C274-E276 PolarHBondContact O-N 3.27Å; C274-E276 VanDerWaalsContact O-N 3.13Å; C274-E276 WeakPolarHBondContact SG-CB 3.14Å
275K87.3Confident70.6Confident142 Ų14283.2 Ų83.262%0.61743%0.43SS*.  trans62.99.2-177.7-48.3-53.5-176.5-166.90115.7C271 V272C271-K275 WeakPolarHBondContact O-CA 3.29Å; C271-K275 PolarHBondContact O-N 3.37Å; C271-K275 VanDerWaalsContact O-N 3.09Å; V272-K275 WeakPolarHBondContact O-CE 3.41Å; V272-K275 PolarHBondContact O-NZ 3.38Å
276E84.9Confident69.7Low86 Ų8678.7 Ų78.740%0.40241%0.412SS..  trans-59.5138.4176-171.455.3-124.400111.2N255 V270 C271 C274 I278N255-E276 HydrophobicContact CB-CB 4.39Å; N255-E276 HydrophobicContact CB-CG 4.37Å; V270-E276 WeakPolarHBondContact CA-O 3.37Å; C271-E276 HydrophobicContact CB-CB 4.41Å; C271-E276 PolarHBondContact N-O 3.26Å; C274-E276 PolarHBondContact O-N 3.27Å; C274-E276 VanDerWaalsContact O-N 3.13Å; C274-E276 WeakPolarHBondContact SG-CB 3.14Å; E276-I278 HydrophobicContact CG-CG1 4.43Å
277K86Confident68.6Low124 Ų12477.3 Ų77.354%0.53941%0.407SS..EExtended strand (participates in β ladder)trans-93.8111179.1-169.9-179.1-177.1179.50109F268F268-K277 HydrophobicContact CB-CG 4.16Å; F268-K277 HydrophobicContact CD2-CD 4.08Å; F268-K277 HydrophobicContact CD2-CG 3.69Å; F268-K277 VanDerWaalsContact CE1-CE 3.45Å; F268-K277 HydrophobicContact CE2-CD 4.35Å; F268-K277 HydrophobicContact CE2-CG 4.31Å; F268-K277 HydrophobicContact CG-CD 4.22Å; F268-K277 HydrophobicContact CG-CG 4Å
278I78.2Confident67.1Low18 Ų1877.2 Ų77.29%0.09240%0.397CS..EExtended strand (participates in β ladder)trans-103.3116.1-173.8-57.3160.9000107.9C253 P254 V260 F268 C269 C271 E276 L280C253-I278 HydrophobicContact CB-CD1 4.02Å; P254-I278 HydrophobicContact CG-CG1 4.4Å; V260-I278 HydrophobicContact CB-CD1 4.49Å; V260-I278 HydrophobicContact CG1-CD1 4.29Å; V260-I278 HydrophobicContact CG2-CD1 3.56Å; F268-I278 CarbonylContact C-O 3.06Å; F268-I278 VanDerWaalsContact CA-O 3.31Å; F268-I278 WeakPolarHBondContact CA-O 3.27Å; F268-I278 WeakPolarHBondContact CB-O 3.46Å; C269-I278 PolarHBondContact N-O 2.74Å; C269-I278 PolarHBondContact O-N 2.77Å; C271-I278 HydrophobicContact CB-CD1 4.34Å; E276-I278 HydrophobicContact CG-CG1 4.43Å; I278-L280 PolarHBondContact O-N 2.88Å
279A76Confident65.5Low79 Ų7983.8 Ų83.865%0.65342%0.42SS*.EExtended strand (participates in β ladder)trans-61.3133.3170.300000108.9P281A279-P281 WeakPolarHBondContact O-CD 3.41Å
280L65.5Low63.8Low40 Ų4087 Ų8721%0.20944%0.435CS..PPolyproline II helixtrans-63.1121.3176.3-75.5177000109I251 F262 G267 C269 I278 Q282I251-L280 HydrophobicContact CD1-CD2 3.84Å; F262-L280 HydrophobicContact CD2-CD1 4.47Å; F262-L280 HydrophobicContact CD2-CD2 3.53Å; F262-L280 HydrophobicContact CE2-CD1 3.75Å; F262-L280 HydrophobicContact CE2-CD2 3.31Å; F262-L280 HydrophobicContact CE2-CG 4.13Å; F262-L280 HydrophobicContact CZ-CD1 3.92Å; F262-L280 HydrophobicContact CZ-CD2 4.31Å; G267-L280 PolarHBondContact O-N 3.12Å; C269-L280 WeakPolarHBondContact SG-CD2 3.4Å; I278-L280 PolarHBondContact O-N 2.88Å; L280-Q282 PolarHBondContact O-N 2.85Å
281P56.8Low61.7Low66 Ų6688.3 Ų88.343%0.42944%0.437SS..PPolyproline II helixtrans-59.9143.6167.411.4-7.6000107.9I251 A279 L283I251-P281 HydrophobicContact CD1-CG 4.33Å; A279-P281 WeakPolarHBondContact O-CD 3.41Å; P281-L283 HydrophobicContact CG-CD1 3.95Å; P281-L283 PolarHBondContact O-N 2.69Å
282Q55.3Low59.9Low174 Ų17491.6 Ų91.681%0.81346%0.457SS*.  trans-64.784.2164-73.5-178.9-12.200107.6L280 N284L280-Q282 PolarHBondContact O-N 2.85Å; Q282-N284 VanDerWaalsContact C-N 3.31Å; Q282-N284 PolarHBondContact O-N 2.93Å
283L50.1Low57.8Low32 Ų3291.5 Ų91.517%0.16845%0.451CS..  trans-7286.7176.3-102.8131.2000108Q246 F249 I251 P281 R285Q246-L283 HydrophobicContact CG-CB 4.39Å; Q246-L283 WeakPolarHBondContact CG-O 3.41Å; Q246-L283 VanDerWaalsContact NE2-N 3.13Å; Q246-L283 PolarHBondContact NE2-O 2.91Å; F249-L283 HydrophobicContact CB-CD2 4.49Å; F249-L283 HydrophobicContact CD2-CD2 3.96Å; I251-L283 HydrophobicContact CD1-CD1 4.11Å; I251-L283 HydrophobicContact CG1-CD1 4.3Å; P281-L283 HydrophobicContact CG-CD1 3.95Å; P281-L283 PolarHBondContact O-N 2.69Å; L283-R285 PolarHBondContact O-N 2.74Å; L283-R285 VanDerWaalsContact O-N 3.11Å
284N44.7Very low56Low129 Ų12993 Ų9369%0.6945%0.449SS*.  trans-77.319.6173.3-70.2-11.1000113Q282Q282-N284 VanDerWaalsContact C-N 3.31Å; Q282-N284 PolarHBondContact O-N 2.93Å
285R42.2Very low53.7Low177 Ų17796.8 Ų96.867%0.66846%0.461SS*.  trans-133.4125.1-171.3-67.4-173.8169.4179.7-4.8112.6L283L283-R285 PolarHBondContact O-N 2.74Å; L283-R285 VanDerWaalsContact O-N 3.11Å
286Q43.3Very low51.5Low82 Ų8298.6 Ų98.638%0.38347%0.469SS..PPolyproline II helixtrans-84.8151.6168.1-132.5-178.8-6600109.3D152 W247 T288D152-Q286 WeakPolarHBondContact OD2-CB 3.1Å; D152-Q286 PolarHBondContact OD2-N 2.95Å; W247-Q286 HydrophobicContact CB-CG 3.73Å; W247-Q286 VanDerWaalsContact CD1-CD 3.4Å; W247-Q286 HydrophobicContact CG-CG 3.95Å; Q286-T288 PolarHBondContact O-N 3.45Å
287L40.3Very low49.3Very low79 Ų7998.6 Ų98.641%0.41447%0.472SS..PPolyproline II helixtrans-65.7125.1171.6-130.1117000108.8F249F249-L287 HydrophobicContact CD1-CD1 3.21Å; F249-L287 HydrophobicContact CD1-CD2 4.18Å; F249-L287 HydrophobicContact CD1-CG 4.15Å; F249-L287 HydrophobicContact CD2-CD1 3.79Å; F249-L287 HydrophobicContact CE1-CB 4.33Å; F249-L287 HydrophobicContact CE1-CD1 3.06Å; F249-L287 HydrophobicContact CE1-CD2 3.14Å; F249-L287 HydrophobicContact CE1-CG 3.48Å; F249-L287 VanDerWaalsContact CE1-CG 3.48Å; F249-L287 HydrophobicContact CE2-CB 3.92Å; F249-L287 HydrophobicContact CE2-CD1 3.64Å; F249-L287 HydrophobicContact CE2-CD2 4.23Å; F249-L287 HydrophobicContact CE2-CG 3.97Å; F249-L287 HydrophobicContact CG-CD1 3.61Å; F249-L287 HydrophobicContact CZ-CB 3.75Å; F249-L287 HydrophobicContact CZ-CD1 3.31Å; F249-L287 HydrophobicContact CZ-CD2 3.2Å; F249-L287 HydrophobicContact CZ-CG 3.4Å
288T38.5Very low47.3Very low47 Ų4799.7 Ų99.729%0.28848%0.483SS..PPolyproline II helixtrans-101.3138.5166.631.10000110.2W134 D152 Q286W134-T288 VanDerWaalsContact CH2-CB 3.46Å; W134-T288 HydrophobicContact CH2-CG2 3.61Å; W134-T288 WeakPolarHBondContact CH2-OG1 3.33Å; W134-T288 HydrophobicContact CZ2-CG2 3.51Å; D152-T288 HydrophobicContact CB-CG2 3.47Å; D152-T288 VanDerWaalsContact CB-CG2 3.47Å; D152-T288 WeakPolarHBondContact OD1-CG2 3.39Å; Q286-T288 PolarHBondContact O-N 3.45Å
289W40.4Very low45.5Very low186 Ų186104.1 Ų104.171%0.70551%0.511SS*.  trans-107.3121.3173.1-64.586.3000107.6
290Q40.9Very low43.8Very low70 Ų70109.5 Ų109.533%0.32752%0.52SS..EExtended strand (participates in β ladder)trans-108.7133.3167.5-66.3176.5-47.900108G100 G132 W134G100-Q290 VanDerWaalsContact C-OE1 3.25Å; G100-Q290 VanDerWaalsContact CA-NE2 3.27Å; G100-Q290 PolarHBondContact O-OE1 3.32Å; G132-Q290 PolarHBondContact O-NE2 3.05Å; W134-Q290 HydrophobicContact CZ3-CG 3.79Å; W134-Q290 VanDerWaalsContact CZ3-NE2 3.29Å
291H37.3Very low42.2Very low97 Ų97113.5 Ų113.545%0.44955%0.546SS..EExtended strand (participates in β ladder)trans-123.2118.3170.8-171.2-111.3000108.2V155 Q156 N157 E293V155-H291 PolarHBondContact O-N 2.76Å; Q156-H291 WeakPolarHBondContact CA-O 3.39Å; Q156-H291 HydrophobicContact CG-CB 4.26Å; N157-H291 PolarHBondContact N-O 3.08Å; N157-H291 VanDerWaalsContact N-O 3.14Å; H291-E293 WeakPolarHBondContact CE1-CG 3.15Å; H291-E293 IonicContact CE1-OE1 3.05Å; H291-E293 PolarHBondContact CE1-OE1 3.06Å
292V42.6Very low41Very low69 Ų69116.5 Ų116.542%0.41856%0.563SS.*EExtended strand (participates in β ladder)trans-117.3113.8-179.3178.50000107.9F159 R294F159-V292 HydrophobicContact CE2-CG1 3.98Å; V292-R294 HydrophobicContact CG1-CG 4.29Å
293E34.7Very low40.1Very low78 Ų78114.5 Ų114.536%0.36456%0.564SS.*EExtended strand (participates in β ladder)trans-108.4113.9172.7-63-172.8144.400109.5N157 V158 F159 H291 F295N157-E293 PolarHBondContact O-N 2.88Å; V158-E293 WeakPolarHBondContact CA-O 3.41Å; V158-E293 HydrophobicContact CG2-CB 4.48Å; F159-E293 PolarHBondContact N-O 2.8Å; H291-E293 WeakPolarHBondContact CE1-CG 3.15Å; H291-E293 IonicContact CE1-OE1 3.05Å; H291-E293 PolarHBondContact CE1-OE1 3.06Å; E293-F295 HydrophobicContact CB-CD2 4.31Å; E293-F295 HydrophobicContact CB-CE2 3.58Å; E293-F295 HydrophobicContact CB-CZ 3.98Å; E293-F295 HydrophobicContact CG-CE2 4.45Å; E293-F295 HydrophobicContact CG-CZ 4.47Å; E293-F295 WeakPolarHBondContact OE2-CE2 3.34Å; E293-F295 WeakPolarHBondContact OE2-CZ 3.01Å
294R42.1Very low39.4Very low138 Ų138118.7 Ų118.752%0.52159%0.591SS.*EExtended strand (participates in β ladder)trans-101.6114.8171.2-69.1179179.5174.70.2108.2E95 F159 V292E95-R294 IonicContact OE2-NH2 2.88Å; E95-R294 PolarHBondContact OE2-NH2 2.88Å; E95-R294 VanDerWaalsContact OE2-NH2 3.12Å; F159-R294 HydrophobicContact CD2-CG 3.67Å; F159-R294 HydrophobicContact CE2-CG 4.18Å; V292-R294 HydrophobicContact CG1-CG 4.29Å
295F41.3Very low38.8Very low119 Ų119119 Ų11952%0.52260%0.597SS.*EExtended strand (participates in β ladder)trans-99.8124.3173.8-62.3-82.7000109.6V158 F159 E293V158-F295 HydrophobicContact CG1-CD2 4.04Å; V158-F295 HydrophobicContact CG1-CE2 3.88Å; F159-F295 PolarHBondContact O-N 2.99Å; E293-F295 HydrophobicContact CB-CD2 4.31Å; E293-F295 HydrophobicContact CB-CE2 3.58Å; E293-F295 HydrophobicContact CB-CZ 3.98Å; E293-F295 HydrophobicContact CG-CE2 4.45Å; E293-F295 HydrophobicContact CG-CZ 4.47Å; E293-F295 WeakPolarHBondContact OE2-CE2 3.34Å; E293-F295 WeakPolarHBondContact OE2-CZ 3.01Å
296F41.2Very low38.4Very low181 Ų181115 Ų11579%0.79460%0.602SS**  trans-89.9116.2170.3-68.3-84.2000109N298F296-N298 PolarHBondContact O-N 2.97Å; F296-N298 VanDerWaalsContact O-N 3.16Å
297D38.5Very low37.8Very low86 Ų86115.9 Ų115.946%0.4662%0.623SS.*  trans-79.996.5175.3-167.86000110.2T299D297-T299 PolarHBondContact O-N 3.37Å; D297-T299 VanDerWaalsContact O-N 3.14Å; D297-T299 WeakPolarHBondContact OD1-CB 3.46Å; D297-T299 PolarHBondContact OD1-N 3.09Å; D297-T299 VanDerWaalsContact OD1-N 3.15Å; D297-T299 PolarHBondContact OD1-OG1 3.33Å; D297-T299 PolarHBondContact OD2-OG1 2.98Å
298N44.1Very low37.5Very low147 Ų147117.8 Ų117.879%0.78664%0.643SS**THydrogen-bonded Turntrans-7412.6174.3-92.1-9000113.2F296F296-N298 PolarHBondContact O-N 2.97Å; F296-N298 VanDerWaalsContact O-N 3.16Å
299T38.9Very low37.2Very low111 Ų111125 Ų12568%0.68167%0.674SS**THydrogen-bonded Turntrans-106.99.4-17070.50000117.3D297D297-T299 PolarHBondContact O-N 3.37Å; D297-T299 VanDerWaalsContact O-N 3.14Å; D297-T299 WeakPolarHBondContact OD1-CB 3.46Å; D297-T299 PolarHBondContact OD1-N 3.09Å; D297-T299 VanDerWaalsContact OD1-N 3.15Å; D297-T299 PolarHBondContact OD1-OG1 3.33Å; D297-T299 PolarHBondContact OD2-OG1 2.98Å
300K40.5Very low36.9Very low192 Ų192120.9 Ų120.984%0.83568%0.679SS**SBendtrans-100.115.6170.4-80.3-175.2-178.3170.60116.2
301T32.2Very low36.5Very low124 Ų124126.9 Ų126.976%0.76170%0.704SS**SBendtrans-102.749.1173.3-31.60000112.9
302T31.7Very low36.1Very low128 Ų128130.2 Ų130.279%0.78573%0.725SS**  trans-168.891.7157.514.30000109.4
303T37.2Very low35.8Very low133 Ų133135.9 Ų135.982%0.81675%0.747SS**  trans-159.5114.4137.510000109.8
304T34.2Very low36.1Very low120 Ų120139.3 Ų139.374%0.73676%0.763SS**SBendtrans77.6115.7150.529.10000119.4
305T31.7Very low36.2Very low135 Ų135138.4 Ų138.483%0.82878%0.778SS**  trans81.981.9146.457.20000119
306A35.4Very low37Very low92 Ų92136.8 Ų136.876%0.7677%0.771SS**  trans16895.7133.600000107.9
307A30.6Very low38.6Very low101 Ų101132 Ų13284%0.83576%0.757SS**  51.783.710000000113.5
308S32.8Very low40.7Very low119 Ų119131.8 Ų131.883%0.83276%0.759SS**  trans-178.7136.9135.140.90000111.1
309E31.9Very low42.7Very low200 Ų200127 Ų12794%0.93574%0.735SS**  trans-72.4121.5-177.2-57.9160.6145.800110.5
310A34.2Very low45Very low98 Ų98130.9 Ų130.981%0.8174%0.742SS**  trans-161.8105158.300000112
311K32.5Very low47.1Very low197 Ų197125.7 Ų125.786%0.85772%0.717SS**  trans1.2128.4152.2-66.6173.3176.1175.40118.2Q313K311-Q313 PolarHBondContact O-N 2.91Å
312N29.7Very low49.9Very low167 Ų167126.4 Ų126.489%0.89371%0.71SS**  trans-4.9107148.4-81.8-5.9000115.1
313Q35.8Very low52.6Low187 Ų187120.4 Ų120.487%0.87467%0.673SS**  trans-115.774.3156.8-80.5-178.9-5.500108.1K311 S315K311-Q313 PolarHBondContact O-N 2.91Å; Q313-S315 PolarHBondContact O-N 3.47Å
314E41.8Very low55.1Low151 Ų151119.7 Ų119.771%0.70667%0.669SS**  trans-66.3115147.2-122.3175.1-17000104.6H316E314-H316 PolarHBondContact O-N 2.81Å; E314-H316 IonicContact OE2-CD2 2.64Å; E314-H316 IonicContact OE2-CE1 2.75Å; E314-H316 IonicContact OE2-NE2 3.51Å; E314-H316 PolarHBondContact OE2-NE2 3.02Å
315S44.5Very low57.6Low118 Ų118122.3 Ų122.383%0.82567%0.665SS**  trans-70.459.3-178.650.10000111.1Q313 V317Q313-S315 PolarHBondContact O-N 3.47Å; S315-V317 PolarHBondContact O-N 2.91Å; S315-V317 VanDerWaalsContact O-N 3.1Å
316H57.3Low60.4Low85 Ų85118.2 Ų118.239%0.39464%0.642SS.*  trans-66.3106.8168.6-81.3-58.5000108.1E314 T318 S332E314-H316 PolarHBondContact O-N 2.81Å; E314-H316 IonicContact OE2-CD2 2.64Å; E314-H316 IonicContact OE2-CE1 2.75Å; E314-H316 IonicContact OE2-NE2 3.51Å; E314-H316 PolarHBondContact OE2-NE2 3.02Å; H316-T318 PolarHBondContact O-N 3.33Å; H316-T318 VanDerWaalsContact O-N 3.08Å; H316-S332 VanDerWaalsContact CB-CB 3.49Å
317V75.8Confident62.8Low81 Ų81115.4 Ų115.449%0.49162%0.622SS.*  trans-60.7115.5171.9-171.10000107.6S315 S332 Y333S315-V317 PolarHBondContact O-N 2.91Å; S315-V317 VanDerWaalsContact O-N 3.1Å; V317-S332 WeakPolarHBondContact O-CA 3.4Å; V317-Y333 HydrophobicContact CB-CD1 4.22Å; V317-Y333 HydrophobicContact CB-CE1 3.71Å; V317-Y333 HydrophobicContact CG1-CD1 4.21Å; V317-Y333 HydrophobicContact CG1-CE1 3.36Å; V317-Y333 WeakPolarHBondContact O-CD1 3.49Å; V317-Y333 PolarHBondContact O-N 3.42Å
318T82Confident65.6Low82 Ų82113.4 Ų113.450%0.50360%0.595SS.*EExtended strand (participates in β ladder)trans-90.8137.8-176.944.70000111.9H316 M331 L352H316-T318 PolarHBondContact O-N 3.33Å; H316-T318 VanDerWaalsContact O-N 3.08Å; T318-M331 WeakPolarHBondContact CA-O 3.21Å; T318-L352 HydrophobicContact CG2-CD1 3.51Å; T318-L352 HydrophobicContact CG2-CD2 4.27Å; T318-L352 HydrophobicContact CG2-CG 4.4Å
319V85.4Confident68.3Low46 Ų46112.5 Ų112.528%0.27958%0.581SS.*EExtended strand (participates in β ladder)trans-122.9145.9176.863.10000110.5R321 M331 Y333 F349V319-R321 HydrophobicContact CG1-CB 4.19Å; V319-R321 PolarHBondContact O-N 2.83Å; V319-M331 WeakPolarHBondContact CG1-O 3.38Å; V319-M331 PolarHBondContact N-O 3.29Å; V319-M331 PolarHBondContact O-N 3.47Å; V319-M331 VanDerWaalsContact O-N 3.14Å; V319-Y333 HydrophobicContact CB-CD1 4.19Å; V319-Y333 HydrophobicContact CG1-CD1 4.26Å; V319-F349 HydrophobicContact CG1-CD1 3.76Å; V319-F349 HydrophobicContact CG1-CE1 3.8Å
320K87.7Confident70.9Confident193 Ų193106.2 Ų106.284%0.83955%0.553SS**EExtended strand (participates in β ladder)trans-74.890.7171.1-74-176.5178.9177.60109.5D329 L330K320-D329 CarbonylContact C-O 3.4Å; K320-D329 WeakPolarHBondContact CA-O 3.32Å; K320-L330 HydrophobicContact CG-CD2 4.37Å
321R85.5Confident73.6Confident82 Ų82101.5 Ų101.531%0.30952%0.515SS..  trans-138.6134.5176.6-168.1-171.9-173.7111.2-2108.5V319 D329 L330 M331 E358 E360V319-R321 HydrophobicContact CG1-CB 4.19Å; V319-R321 PolarHBondContact O-N 2.83Å; R321-D329 PolarHBondContact N-O 3.18Å; R321-D329 CarbonylContact O-C 3.54Å; R321-L330 PolarHBondContact O-N 3.47Å; R321-M331 HydrophobicContact CB-CG 4.37Å; R321-M331 HydrophobicContact CB-SD 4.29Å; R321-M331 HydrophobicContact CG-SD 4.23Å; R321-M331 WeakPolarHBondContact O-CG 3.38Å; R321-E358 IonicContact NE-OE2 3.12Å; R321-E360 IonicContact CZ-OE2 3.63Å; R321-E360 IonicContact NH1-OE2 2.77Å; R321-E360 PolarHBondContact NH1-OE2 2.75Å; R321-E360 IonicContact NH2-OE2 3.15Å; R321-E360 PolarHBondContact NH2-OE2 2.82Å
322K89.2Confident76.1Confident139 Ų13992.3 Ų92.360%0.60448%0.475SS*.  trans-82.4119.4-178.9-169.4173.1-174178.80110.6T324 H328 D329K322-T324 PolarHBondContact O-N 2.88Å; K322-H328 WeakPolarHBondContact CA-O 3.26Å; K322-D329 WeakPolarHBondContact CG-OD1 3.23Å
323C89.9Confident79Confident2 Ų288.7 Ų88.71%0.01445%0.449CS..  trans-64.8126.6176.2172.30000111.2R325 G327 H328 M331 C351C323-R325 PolarHBondContact O-N 3.07Å; C323-R325 PolarHBondContact SG-N 3.08Å; C323-R325 VanDerWaalsContact SG-N 3.42Å; C323-G327 VanDerWaalsContact O-CA 3.26Å; C323-G327 WeakPolarHBondContact O-CA 3.35Å; C323-G327 PolarHBondContact O-N 3.36Å; C323-H328 PolarHBondContact N-O 3.43Å; C323-M331 HydrophobicContact CB-CE 4.29Å; C323-M331 HydrophobicContact CB-CG 4.44Å; C323-M331 HydrophobicContact CB-SD 4.15Å; C323-C351 HydrophobicContact CB-CB 3.87Å; C323-C351 VanDerWaalsContact CB-SG 3.53Å
324T89.1Confident81.2Confident118 Ų11882.7 Ų82.772%0.72443%0.428SS*.THydrogen-bonded Turntrans-62.6-26.9179.153.90000113.7K322 E358K322-T324 PolarHBondContact O-N 2.88Å; T324-E358 VanDerWaalsContact CB-OE1 3.32Å; T324-E358 WeakPolarHBondContact CB-OE1 3.27Å; T324-E358 VanDerWaalsContact CG2-OE1 3.3Å; T324-E358 WeakPolarHBondContact CG2-OE1 3.25Å; T324-E358 PolarHBondContact N-OE1 3.25Å; T324-E358 PolarHBondContact OG1-OE1 3.21Å
325R87.7Confident83.3Confident175 Ų17578.3 Ų78.366%0.6641%0.412SS*.THydrogen-bonded Turntrans-85-49.5-179.6-176.6-175.6-94.4-159.32.5114C323 E356C323-R325 PolarHBondContact O-N 3.07Å; C323-R325 PolarHBondContact SG-N 3.08Å; C323-R325 VanDerWaalsContact SG-N 3.42Å; R325-E356 HydrophobicContact CB-CB 4.11Å; R325-E356 HydrophobicContact CB-CG 3.94Å; R325-E356 WeakPolarHBondContact CD-OE2 3.21Å; R325-E356 IonicContact CZ-OE2 2.93Å; R325-E356 IonicContact NE-OE2 2.91Å; R325-E356 PolarHBondContact NE-OE2 3.46Å; R325-E356 IonicContact NH1-OE2 3.38Å; R325-E356 PolarHBondContact NH1-OE2 2.81Å; R325-E356 IonicContact NH2-OE2 3.32Å; R325-E356 PolarHBondContact NH2-OE2 3.33Å
326C90.1Very high85Confident50 Ų5081.5 Ų81.534%0.33841%0.406SS..THydrogen-bonded Turntrans-113.4-5.5-171.974.90000114.8H328 C351 C354C326-H328 PolarHBondContact O-N 3.15Å; C326-H328 VanDerWaalsContact SG-CB 3.51Å; C326-C351 PolarHBondContact SG-SG 3.45Å; C326-C354 HydrophobicContact CB-CB 3.9Å; C326-C354 PolarHBondContact SG-SG 3.44Å
327G86.2Confident86.1Confident33 Ų3383.1 Ų83.134%0.3441%0.414SS..  trans70.811.9-178.700000115.1C323C323-G327 VanDerWaalsContact O-CA 3.26Å; C323-G327 WeakPolarHBondContact O-CA 3.35Å; C323-G327 PolarHBondContact O-N 3.36Å
328H88.2Confident86.3Confident59 Ų5982.7 Ų82.727%0.27341%0.411SS..  trans-73.5132.3175.7-171.254000111.1K322 C323 C326 L330 K353K322-H328 WeakPolarHBondContact CA-O 3.26Å; C323-H328 PolarHBondContact N-O 3.43Å; C326-H328 PolarHBondContact O-N 3.15Å; C326-H328 VanDerWaalsContact SG-CB 3.51Å; H328-L330 VanDerWaalsContact C-N 3.28Å; H328-L330 PolarHBondContact CD2-O 2.76Å; H328-L330 VanDerWaalsContact CD2-O 3.31Å; H328-L330 PolarHBondContact O-N 2.97Å; H328-K353 HydrophobicContact CB-CB 3.86Å; H328-K353 HydrophobicContact CB-CD 4.07Å
329D89.2Confident86.2Confident99 Ų9985 Ų8553%0.52941%0.411SS..SBendtrans-82.65.2-170.7-59.6-39.4000115.1K320 R321 K322K320-D329 CarbonylContact C-O 3.4Å; K320-D329 WeakPolarHBondContact CA-O 3.32Å; R321-D329 PolarHBondContact N-O 3.18Å; R321-D329 CarbonylContact O-C 3.54Å; K322-D329 WeakPolarHBondContact CG-OD1 3.23Å
330L86.2Confident85.8Confident68 Ų6885.3 Ų85.336%0.35642%0.415SS..EExtended strand (participates in β ladder)trans-125.3127.5178.6-74.4160.1000110.9K320 R321 H328 L352K320-L330 HydrophobicContact CG-CD2 4.37Å; R321-L330 PolarHBondContact O-N 3.47Å; H328-L330 VanDerWaalsContact C-N 3.28Å; H328-L330 PolarHBondContact CD2-O 2.76Å; H328-L330 VanDerWaalsContact CD2-O 3.31Å; H328-L330 PolarHBondContact O-N 2.97Å; L330-L352 HydrophobicContact CB-CD1 3.84Å; L330-L352 PolarHBondContact O-N 3Å
331M90.9Very high85.2Confident0 Ų080.6 Ų80.60%041%0.412CS..EExtended strand (participates in β ladder)trans-130148.8172.3-56.5-174.481.300108.7T318 V319 R321 C323 F349 T350 C351 E358T318-M331 WeakPolarHBondContact CA-O 3.21Å; V319-M331 WeakPolarHBondContact CG1-O 3.38Å; V319-M331 PolarHBondContact N-O 3.29Å; V319-M331 PolarHBondContact O-N 3.47Å; V319-M331 VanDerWaalsContact O-N 3.14Å; R321-M331 HydrophobicContact CB-CG 4.37Å; R321-M331 HydrophobicContact CB-SD 4.29Å; R321-M331 HydrophobicContact CG-SD 4.23Å; R321-M331 WeakPolarHBondContact O-CG 3.38Å; C323-M331 HydrophobicContact CB-CE 4.29Å; C323-M331 HydrophobicContact CB-CG 4.44Å; C323-M331 HydrophobicContact CB-SD 4.15Å; M331-F349 HydrophobicContact CB-CB 4.26Å; M331-F349 HydrophobicContact CE-CB 3.88Å; M331-F349 HydrophobicContact SD-CB 4.08Å; M331-T350 CarbonylContact C-O 3.5Å; M331-T350 VanDerWaalsContact CA-O 3.26Å; M331-T350 WeakPolarHBondContact CA-O 3.49Å; M331-T350 WeakPolarHBondContact CB-O 3.47Å; M331-C351 HydrophobicContact CE-CB 3.93Å; M331-C351 HydrophobicContact CG-CB 4.42Å; M331-E358 HydrophobicContact CE-CB 4.36Å; M331-E358 HydrophobicContact CE-CG 3.99Å
332S86.1Confident84.9Confident3 Ų383.3 Ų83.32%0.02143%0.433CS..EExtended strand (participates in β ladder)trans-79.3152.6162.467.50000109.9H316 V317 F349 T350H316-S332 VanDerWaalsContact CB-CB 3.49Å; V317-S332 WeakPolarHBondContact O-CA 3.4Å; S332-F349 CarbonylContact O-C 3.56Å; S332-F349 WeakPolarHBondContact O-CA 3.23Å; S332-T350 PolarHBondContact N-O 3.09Å; S332-T350 PolarHBondContact O-N 3.03Å; S332-T350 WeakPolarHBondContact OG-CB 3.48Å
333Y89.7Confident84.2Confident91 Ų9180.6 Ų80.636%0.35742%0.422SS..EExtended strand (participates in β ladder)trans-122.2147.5167.781.2-87.4000110.9V317 V319 T335 V347 F348 F349V317-Y333 HydrophobicContact CB-CD1 4.22Å; V317-Y333 HydrophobicContact CB-CE1 3.71Å; V317-Y333 HydrophobicContact CG1-CD1 4.21Å; V317-Y333 HydrophobicContact CG1-CE1 3.36Å; V317-Y333 WeakPolarHBondContact O-CD1 3.49Å; V317-Y333 PolarHBondContact O-N 3.42Å; V319-Y333 HydrophobicContact CB-CD1 4.19Å; V319-Y333 HydrophobicContact CG1-CD1 4.26Å; Y333-T335 HydrophobicContact CD2-CG2 3.8Å; Y333-T335 HydrophobicContact CE2-CG2 3.87Å; Y333-V347 HydrophobicContact CD2-CG1 4.04Å; Y333-V347 HydrophobicContact CG-CG1 4.4Å; Y333-F348 CarbonylContact C-O 3.58Å; Y333-F348 VanDerWaalsContact CA-O 3.26Å; Y333-F348 WeakPolarHBondContact CA-O 3.48Å; Y333-F349 HydrophobicContact CG-CE1 4.42Å
334S82.1Confident83.6Confident62 Ų6282.3 Ų82.343%0.43444%0.441SS..EExtended strand (participates in β ladder)trans-133.2152.2165.855.60000108.4F348S334-F348 PolarHBondContact N-O 3.3Å; S334-F348 PolarHBondContact O-N 3.32Å
335T86.4Confident83.2Confident59 Ų5980.9 Ų80.936%0.36243%0.427SS..EExtended strand (participates in β ladder)trans-120.7139-17662.20000109.9Y333 M345 T346 V347Y333-T335 HydrophobicContact CD2-CG2 3.8Å; Y333-T335 HydrophobicContact CE2-CG2 3.87Å; T335-M345 WeakPolarHBondContact CB-SD 3.35Å; T335-M345 HydrophobicContact CG2-CE 3.59Å; T335-M345 HydrophobicContact CG2-SD 4.24Å; T335-M345 WeakPolarHBondContact OG1-CE 3Å; T335-M345 PolarHBondContact OG1-SD 3.01Å; T335-T346 WeakPolarHBondContact CA-O 3.48Å; T335-V347 HydrophobicContact CG2-CB 4.5Å; T335-V347 HydrophobicContact CG2-CG1 4.18Å; T335-V347 HydrophobicContact CG2-CG2 4.11Å
336R80.8Confident83.2Confident185 Ų18572.7 Ų72.770%0.69840%0.396SS*.EExtended strand (participates in β ladder)trans-147.5141.3-179.7-138.2176.8-178.2158.31.5110.2T338 T346 F348R336-T338 PolarHBondContact O-N 2.99Å; R336-T346 PolarHBondContact N-O 2.63Å; R336-T346 PolarHBondContact O-N 3.31Å; R336-F348 HydrophobicContact CB-CD2 4.27Å; R336-F348 HydrophobicContact CB-CE2 3.68Å
337Q80.9Confident83Confident119 Ų11971.3 Ų71.356%0.55639%0.386SS*.  trans-77.9117.6170.9-157.51379.500108.5
338T78.1Confident83.2Confident72 Ų7272.2 Ų72.244%0.44238%0.381SS..  trans-113.4-6.4-176.154.40000113.3R336 T346 F348R336-T338 PolarHBondContact O-N 2.99Å; T338-T346 HydrophobicContact CG2-CG2 4.41Å; T338-T346 PolarHBondContact OG1-OG1 2.87Å; T338-F348 HydrophobicContact CG2-CE2 4.09Å; T338-F348 HydrophobicContact CG2-CZ 3.81Å
339R80.8Confident83.3Confident129 Ų12970.1 Ų70.149%0.48737%0.371SS..SBendtrans-139.5-170.5-173.2-63.4-179.4-174.7-1755.7109.9E343R339-E343 HydrophobicContact CB-CB 4.13Å; R339-E343 HydrophobicContact CB-CG 4.44Å; R339-E343 VanDerWaalsContact CD-CD 3.45Å; R339-E343 WeakPolarHBondContact CD-OE2 3.45Å; R339-E343 IonicContact CZ-OE2 3.56Å; R339-E343 IonicContact NE-OE2 3.61Å; R339-E343 IonicContact NH1-OE1 3.92Å; R339-E343 IonicContact NH1-OE2 2.75Å; R339-E343 PolarHBondContact NH1-OE2 3.43Å
340S77.7Confident83.2Confident54 Ų5467 Ų6738%0.37836%0.356SS..  trans-60.8161-178.3480000112.3D342 E343S340-D342 WeakPolarHBondContact CB-OD1 3.21Å; S340-D342 PolarHBondContact O-N 2.86Å; S340-D342 VanDerWaalsContact O-N 3.1Å; S340-D342 VanDerWaalsContact OG-CG 3.32Å; S340-D342 PolarHBondContact OG-OD1 3.3Å; S340-D342 PolarHBondContact OG-OD2 3.4Å; S340-E343 PolarHBondContact O-N 3.04Å
341A74.1Confident83.4Confident93 Ų9364 Ų6477%0.76934%0.34SS*.THydrogen-bonded Turntrans-62.4-19.4-17400000113.3
342D79.9Confident83.2Confident139 Ų13968.1 Ų68.174%0.74336%0.362SS*.THydrogen-bonded Turntrans-80.1-12.7178.232.5-59.7000114.1S340S340-D342 WeakPolarHBondContact CB-OD1 3.21Å; S340-D342 PolarHBondContact O-N 2.86Å; S340-D342 VanDerWaalsContact O-N 3.1Å; S340-D342 VanDerWaalsContact OG-CG 3.32Å; S340-D342 PolarHBondContact OG-OD1 3.3Å; S340-D342 PolarHBondContact OG-OD2 3.4Å
343E73.2Confident83.1Confident82 Ų8275.4 Ų75.438%0.38339%0.393SS..SBendtrans-102.3148.3174.8-67.1-168.2-141.500112.3R339 S340R339-E343 HydrophobicContact CB-CB 4.13Å; R339-E343 HydrophobicContact CB-CG 4.44Å; R339-E343 VanDerWaalsContact CD-CD 3.45Å; R339-E343 WeakPolarHBondContact CD-OE2 3.45Å; R339-E343 IonicContact CZ-OE2 3.56Å; R339-E343 IonicContact NE-OE2 3.61Å; R339-E343 IonicContact NH1-OE1 3.92Å; R339-E343 IonicContact NH1-OE2 2.75Å; R339-E343 PolarHBondContact NH1-OE2 3.43Å; S340-E343 PolarHBondContact O-N 3.04Å
344G77.3Confident83Confident39 Ų3973.4 Ų73.440%0.40239%0.391SS..PPolyproline II helixtrans-59.4159.5178.100000113.5T346G344-T346 PolarHBondContact O-N 3.28Å
345M82.3Confident83.1Confident88 Ų8872.6 Ų72.643%0.43339%0.393SS..PPolyproline II helixtrans-66.6134.4177.2-169.7170.556.500110.3T335 S362T335-M345 WeakPolarHBondContact CB-SD 3.35Å; T335-M345 HydrophobicContact CG2-CE 3.59Å; T335-M345 HydrophobicContact CG2-SD 4.24Å; T335-M345 WeakPolarHBondContact OG1-CE 3Å; T335-M345 PolarHBondContact OG1-SD 3.01Å; M345-S362 VanDerWaalsContact O-CB 3.28Å; M345-S362 WeakPolarHBondContact O-CB 3.33Å; M345-S362 PolarHBondContact O-OG 2.99Å
346T86.3Confident83.3Confident3 Ų372.5 Ų72.52%0.01839%0.388CS..EExtended strand (participates in β ladder)trans-85.8133.8175.7-68.80000109.9T335 R336 T338 G344 F348 I359 H361T335-T346 WeakPolarHBondContact CA-O 3.48Å; R336-T346 PolarHBondContact N-O 2.63Å; R336-T346 PolarHBondContact O-N 3.31Å; T338-T346 HydrophobicContact CG2-CG2 4.41Å; T338-T346 PolarHBondContact OG1-OG1 2.87Å; G344-T346 PolarHBondContact O-N 3.28Å; T346-F348 HydrophobicContact CG2-CE2 3.94Å; T346-F348 HydrophobicContact CG2-CZ 4.02Å; T346-I359 HydrophobicContact CG2-CG2 3.38Å; T346-H361 PolarHBondContact OG1-ND1 3.17Å; T346-H361 VanDerWaalsContact OG1-ND1 3.14Å
347V87.6Confident83.6Confident20 Ų2070.7 Ų70.712%0.12139%0.386CS..EExtended strand (participates in β ladder)trans-104128-178.4-1700000109.6Y333 T335 F349 I359 E360Y333-V347 HydrophobicContact CD2-CG1 4.04Å; Y333-V347 HydrophobicContact CG-CG1 4.4Å; T335-V347 HydrophobicContact CG2-CB 4.5Å; T335-V347 HydrophobicContact CG2-CG1 4.18Å; T335-V347 HydrophobicContact CG2-CG2 4.11Å; V347-F349 HydrophobicContact CB-CE2 4.02Å; V347-F349 HydrophobicContact CB-CZ 4.11Å; V347-F349 HydrophobicContact CG1-CD2 4.32Å; V347-F349 HydrophobicContact CG1-CE1 3.85Å; V347-F349 HydrophobicContact CG1-CE2 3.63Å; V347-F349 HydrophobicContact CG1-CZ 3.36Å; V347-I359 WeakPolarHBondContact O-CA 3.27Å; V347-E360 PolarHBondContact N-O 3.19Å; V347-E360 PolarHBondContact O-N 3.24Å
348F88.9Confident84Confident52 Ų5266.4 Ų66.423%0.22837%0.366CS..EExtended strand (participates in β ladder)trans-108.8113.4178.1-62.5-94.5000109.5Y333 S334 R336 T338 T346 E358 I359Y333-F348 CarbonylContact C-O 3.58Å; Y333-F348 VanDerWaalsContact CA-O 3.26Å; Y333-F348 WeakPolarHBondContact CA-O 3.48Å; S334-F348 PolarHBondContact N-O 3.3Å; S334-F348 PolarHBondContact O-N 3.32Å; R336-F348 HydrophobicContact CB-CD2 4.27Å; R336-F348 HydrophobicContact CB-CE2 3.68Å; T338-F348 HydrophobicContact CG2-CE2 4.09Å; T338-F348 HydrophobicContact CG2-CZ 3.81Å; T346-F348 HydrophobicContact CG2-CE2 3.94Å; T346-F348 HydrophobicContact CG2-CZ 4.02Å; F348-E358 CarbonylContact C-O 3.57Å; F348-I359 HydrophobicContact CD1-CD1 4.21Å; F348-I359 HydrophobicContact CD1-CG1 3.86Å; F348-I359 HydrophobicContact CE1-CD1 3.92Å; F348-I359 HydrophobicContact CE1-CG1 4.04Å; F348-I359 HydrophobicContact CE1-CG2 4.35Å
349F90.8Very high84.4Confident15 Ų1567.8 Ų67.87%0.06637%0.369CS..EExtended strand (participates in β ladder)trans-94138.7174.3-57.6-82.5000110.7V319 M331 S332 Y333 V347 K357 E358 E360V319-F349 HydrophobicContact CG1-CD1 3.76Å; V319-F349 HydrophobicContact CG1-CE1 3.8Å; M331-F349 HydrophobicContact CB-CB 4.26Å; M331-F349 HydrophobicContact CE-CB 3.88Å; M331-F349 HydrophobicContact SD-CB 4.08Å; S332-F349 CarbonylContact O-C 3.56Å; S332-F349 WeakPolarHBondContact O-CA 3.23Å; Y333-F349 HydrophobicContact CG-CE1 4.42Å; V347-F349 HydrophobicContact CB-CE2 4.02Å; V347-F349 HydrophobicContact CB-CZ 4.11Å; V347-F349 HydrophobicContact CG1-CD2 4.32Å; V347-F349 HydrophobicContact CG1-CE1 3.85Å; V347-F349 HydrophobicContact CG1-CE2 3.63Å; V347-F349 HydrophobicContact CG1-CZ 3.36Å; F349-K357 CarbonylContact O-C 3.57Å; F349-K357 WeakPolarHBondContact O-CA 3.13Å; F349-E358 HydrophobicContact CB-CB 4.28Å; F349-E358 PolarHBondContact N-O 3.13Å; F349-E358 PolarHBondContact O-N 2.69Å; F349-E360 HydrophobicContact CE2-CB 3.84Å
350T87.9Confident84.5Confident35 Ų3565.5 Ų65.522%0.21536%0.364CS..EExtended strand (participates in β ladder)trans-125.9123.2173.6-53.50000110M331 S332 L352 E356 K357M331-T350 CarbonylContact C-O 3.5Å; M331-T350 VanDerWaalsContact CA-O 3.26Å; M331-T350 WeakPolarHBondContact CA-O 3.49Å; M331-T350 WeakPolarHBondContact CB-O 3.47Å; S332-T350 PolarHBondContact N-O 3.09Å; S332-T350 PolarHBondContact O-N 3.03Å; S332-T350 WeakPolarHBondContact OG-CB 3.48Å; T350-L352 PolarHBondContact O-N 3.35Å; T350-E356 CarbonylContact C-O 3.5Å; T350-E356 WeakPolarHBondContact CA-O 3.33Å; T350-K357 HydrophobicContact CG2-CG 4.19Å
351C90Very high84.5Confident3 Ų368.1 Ų68.12%0.0237%0.37CS..EExtended strand (participates in β ladder)trans-66.8125.5179.9-177.90000111.7C323 C326 M331 K353 C354 G355 E356C323-C351 HydrophobicContact CB-CB 3.87Å; C323-C351 VanDerWaalsContact CB-SG 3.53Å; C326-C351 PolarHBondContact SG-SG 3.45Å; M331-C351 HydrophobicContact CE-CB 3.93Å; M331-C351 HydrophobicContact CG-CB 4.42Å; C351-K353 PolarHBondContact O-N 3.32Å; C351-K353 PolarHBondContact SG-N 2.96Å; C351-K353 VanDerWaalsContact SG-N 3.42Å; C351-C354 VanDerWaalsContact SG-SG 3.6Å; C351-G355 VanDerWaalsContact O-CA 3.3Å; C351-G355 WeakPolarHBondContact O-CA 3.39Å; C351-G355 PolarHBondContact O-N 3.4Å; C351-E356 HydrophobicContact CB-CB 4.41Å; C351-E356 PolarHBondContact N-O 2.67Å
352L85.8Confident84.1Confident88 Ų8869.3 Ų69.346%0.46137%0.373SS..THydrogen-bonded Turntrans-67.6-17.3179.5-59.1178.2000113.8T318 L330 T350T318-L352 HydrophobicContact CG2-CD1 3.51Å; T318-L352 HydrophobicContact CG2-CD2 4.27Å; T318-L352 HydrophobicContact CG2-CG 4.4Å; L330-L352 HydrophobicContact CB-CD1 3.84Å; L330-L352 PolarHBondContact O-N 3Å; T350-L352 PolarHBondContact O-N 3.35Å
353K84.5Confident84.3Confident155 Ų15565.9 Ų65.967%0.67436%0.355SS*.THydrogen-bonded Turntrans-99.4-43.3-177.9-169.5179.5-178.2-173.60113.8H328 C351H328-K353 HydrophobicContact CB-CB 3.86Å; H328-K353 HydrophobicContact CB-CD 4.07Å; C351-K353 PolarHBondContact O-N 3.32Å; C351-K353 PolarHBondContact SG-N 2.96Å; C351-K353 VanDerWaalsContact SG-N 3.42Å
354C88.6Confident84.9Confident49 Ų4965 Ų6533%0.33135%0.353SS..THydrogen-bonded Turntrans-114.5-7.6-175.372.50000114.7C326 C351 E356C326-C354 HydrophobicContact CB-CB 3.9Å; C326-C354 PolarHBondContact SG-SG 3.44Å; C351-C354 VanDerWaalsContact SG-SG 3.6Å; C354-E356 PolarHBondContact O-N 2.87Å; C354-E356 VanDerWaalsContact SG-CB 3.58Å
355G84.1Confident85.3Confident45 Ų4566.4 Ų66.446%0.46435%0.35SS..  trans75.52.6-17900000115.5C351 K357C351-G355 VanDerWaalsContact O-CA 3.3Å; C351-G355 WeakPolarHBondContact O-CA 3.39Å; C351-G355 PolarHBondContact O-N 3.4Å; G355-K357 PolarHBondContact O-N 2.53Å
356E89Confident85.5Confident57 Ų5765.2 Ų65.227%0.26635%0.345SS..  trans-60.9136.3178.2-167.565.3-167.100111.2R325 T350 C351 C354R325-E356 HydrophobicContact CB-CB 4.11Å; R325-E356 HydrophobicContact CB-CG 3.94Å; R325-E356 WeakPolarHBondContact CD-OE2 3.21Å; R325-E356 IonicContact CZ-OE2 2.93Å; R325-E356 IonicContact NE-OE2 2.91Å; R325-E356 PolarHBondContact NE-OE2 3.46Å; R325-E356 IonicContact NH1-OE2 3.38Å; R325-E356 PolarHBondContact NH1-OE2 2.81Å; R325-E356 IonicContact NH2-OE2 3.32Å; R325-E356 PolarHBondContact NH2-OE2 3.33Å; T350-E356 CarbonylContact C-O 3.5Å; T350-E356 WeakPolarHBondContact CA-O 3.33Å; C351-E356 HydrophobicContact CB-CB 4.41Å; C351-E356 PolarHBondContact N-O 2.67Å; C354-E356 PolarHBondContact O-N 2.87Å; C354-E356 VanDerWaalsContact SG-CB 3.58Å
357K88Confident85.5Confident148 Ų14869.1 Ų69.164%0.64337%0.366SS*.EExtended strand (participates in β ladder)trans-104.6130.6179-65.3-174.7179.2-176.90111F349 T350 G355F349-K357 CarbonylContact O-C 3.57Å; F349-K357 WeakPolarHBondContact O-CA 3.13Å; T350-K357 HydrophobicContact CG2-CG 4.19Å; G355-K357 PolarHBondContact O-N 2.53Å
358E88.6Confident85.3Confident28 Ų2872.3 Ų72.313%0.13138%0.382CS..EExtended strand (participates in β ladder)trans-119.1143.2174.9-63.9174.5-169.700109R321 T324 M331 F348 F349R321-E358 IonicContact NE-OE2 3.12Å; T324-E358 VanDerWaalsContact CB-OE1 3.32Å; T324-E358 WeakPolarHBondContact CB-OE1 3.27Å; T324-E358 VanDerWaalsContact CG2-OE1 3.3Å; T324-E358 WeakPolarHBondContact CG2-OE1 3.25Å; T324-E358 PolarHBondContact N-OE1 3.25Å; T324-E358 PolarHBondContact OG1-OE1 3.21Å; M331-E358 HydrophobicContact CE-CB 4.36Å; M331-E358 HydrophobicContact CE-CG 3.99Å; F348-E358 CarbonylContact C-O 3.57Å; F349-E358 HydrophobicContact CB-CB 4.28Å; F349-E358 PolarHBondContact N-O 3.13Å; F349-E358 PolarHBondContact O-N 2.69Å
359I86.7Confident85.1Confident101 Ų10173.8 Ų73.852%0.51839%0.393SS..EExtended strand (participates in β ladder)trans-118.4131.8-178.1-53.8175.9000108.1T346 V347 F348T346-I359 HydrophobicContact CG2-CG2 3.38Å; V347-I359 WeakPolarHBondContact O-CA 3.27Å; F348-I359 HydrophobicContact CD1-CD1 4.21Å; F348-I359 HydrophobicContact CD1-CG1 3.86Å; F348-I359 HydrophobicContact CE1-CD1 3.92Å; F348-I359 HydrophobicContact CE1-CG1 4.04Å; F348-I359 HydrophobicContact CE1-CG2 4.35Å
360E84.2Confident84.6Confident82 Ų8278.3 Ų78.338%0.38342%0.418SS..EExtended strand (participates in β ladder)trans-123129.4172.7-171170.8165.300109.4R321 V347 F349R321-E360 IonicContact CZ-OE2 3.63Å; R321-E360 IonicContact NH1-OE2 2.77Å; R321-E360 PolarHBondContact NH1-OE2 2.75Å; R321-E360 IonicContact NH2-OE2 3.15Å; R321-E360 PolarHBondContact NH2-OE2 2.82Å; V347-E360 PolarHBondContact N-O 3.19Å; V347-E360 PolarHBondContact O-N 3.24Å; F349-E360 HydrophobicContact CE2-CB 3.84Å
361H77.7Confident84.4Confident108 Ų10881.9 Ų81.950%0.544%0.435SS..EExtended strand (participates in β ladder)trans-92.3120.8173.9-59.8-60.2000107.8T346T346-H361 PolarHBondContact OG1-ND1 3.17Å; T346-H361 VanDerWaalsContact OG1-ND1 3.14Å
362S65.5Low83.9Confident119 Ų11989.1 Ų89.183%0.83247%0.473SS*.  trans-82.60177.1-40.30000111.7M345M345-S362 VanDerWaalsContact O-CB 3.28Å; M345-S362 WeakPolarHBondContact O-CB 3.33Å; M345-S362 PolarHBondContact O-OG 2.99Å

Retrieved 362 of 362 residues in 203.2 ms (Link to these results)