A0A087WTZ7_HUMAN Loading...

Pleckstrin homology like domain family B member 1

AlphaFold DB , UniProt , Accession A0A087WTZ7, Species HUMAN (Homo sapiens, Human), Gene PHLDB1, Length 209 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
1M37.1Very low40.6Very low223 Ų223152.2 Ų152.2100%1.09983%0.829SS**  063.80-61.2-166.7-178.500107.3
2D36.4Very low40Very low158 Ų158145.6 Ų145.685%0.84582%0.823SS**  69.6128.275.5-57.2-55.2000109.6
3A35.7Very low40.2Very low96 Ų96142.1 Ų142.179%0.79381%0.812SS**  cis-161.5161.58.100000109.4
4L47.2Very low40.1Very low174 Ų174145.4 Ų145.491%0.91182%0.817SS**  trans-54.7144.3161.8-67.1155.8000111.2
5N38.1Very low39.9Very low150 Ų150142.8 Ų142.880%0.80281%0.806SS**  trans-143.8125.6147.1-158.3-6.2000112.4
6R47.2Very low40.3Very low199 Ų199144.4 Ų144.475%0.75181%0.805SS**  trans-105.1130179.6163.5-173.4174.7177.4-0.7106
7N38.8Very low40.4Very low155 Ų155142.9 Ų142.983%0.82980%0.8SS**  trans-141.6114151.9-91.9-38.5000110.4
8Q47.3Very low40.6Very low148 Ų148141.3 Ų141.369%0.69279%0.787SS**  trans-87.7172.2160-78-168.136.900109.5
9I36.3Very low40.9Very low175 Ų175139.6 Ų139.690%0.89778%0.78SS**  trans101.1120.7165.7-52.1156.4000111.7
10G35.1Very low41.3Very low61 Ų61139 Ų13963%0.62977%0.771SS**  cis-160.7-170.420.300000114.8G12G10-G12 PolarHBondContact O-N 3.35Å
11P46.8Very low41.4Very low135 Ų135141.7 Ų141.788%0.87778%0.775SS**  trans-84.199.3-167.632.7-29.1000110C13P11-C13 PolarHBondContact O-N 3.23Å
12G33.3Very low42.4Very low73 Ų73133.5 Ų133.575%0.75375%0.748SS**  trans-88.297.1-179.600000111.7G10G10-G12 PolarHBondContact O-N 3.35Å
13C43.4Very low43.7Very low100 Ų100130.1 Ų130.168%0.67673%0.734SS**  trans54.591.3155.6-154.80000115.3P11 T15P11-C13 PolarHBondContact O-N 3.23Å; C13-T15 PolarHBondContact O-N 2.86Å
14Q38Very low45.5Very low188 Ų188128.9 Ų128.988%0.87971%0.714SS**  trans-60.395.1146.7-72-177-0.900105.8Q16Q14-Q16 PolarHBondContact O-N 3.19Å
15T37.9Very low47Very low107 Ų107123.9 Ų123.966%0.65669%0.688SS**  trans-55.598.3159.935.10000105.1C13 T17C13-T15 PolarHBondContact O-N 2.86Å; T15-T17 PolarHBondContact O-N 3.14Å
16Q45.5Very low49.1Very low169 Ų169121 Ų12179%0.7967%0.672SS**  trans-55.4102160.6-68.1178.93.400104Q14 M18Q14-Q16 PolarHBondContact O-N 3.19Å; Q16-M18 PolarHBondContact O-N 2.86Å
17T42.4Very low50.8Low118 Ų118114.3 Ų114.372%0.72465%0.65SS**  trans-69.180.6176.9-4.40000106.2T15 V19T15-T17 PolarHBondContact O-N 3.14Å; T17-V19 VanDerWaalsContact C-N 3.28Å; T17-V19 PolarHBondContact O-N 2.95Å
18M44.2Very low53Low115 Ų115113.8 Ų113.857%0.56764%0.643SS**  trans-69.492.6173.2-173.717954.400105.7Q16 Q20Q16-M18 PolarHBondContact O-N 2.86Å; M18-Q20 HydrophobicContact CE-CG 3.71Å; M18-Q20 HydrophobicContact CG-CG 3.59Å; M18-Q20 PolarHBondContact O-N 2.72Å; M18-Q20 HydrophobicContact SD-CG 3.75Å; M18-Q20 PolarHBondContact SD-NE2 2.84Å
19V46.2Very low54.7Low108 Ų108110.8 Ų110.866%0.65564%0.635SS**  trans-72.783.4170.9-179.40000106.6T17 K21T17-V19 VanDerWaalsContact C-N 3.28Å; T17-V19 PolarHBondContact O-N 2.95Å; V19-K21 PolarHBondContact O-N 2.82Å; V19-K21 VanDerWaalsContact O-N 3.14Å
20Q49.3Very low57Low128 Ų128105.6 Ų105.660%0.59863%0.625SS**  trans-73.8102.4172.4-70.7-156-13.500109.4M18M18-Q20 HydrophobicContact CE-CG 3.71Å; M18-Q20 HydrophobicContact CG-CG 3.59Å; M18-Q20 PolarHBondContact O-N 2.72Å; M18-Q20 HydrophobicContact SD-CG 3.75Å; M18-Q20 PolarHBondContact SD-NE2 2.84Å
21K42.9Very low59.6Low196 Ų196113.3 Ų113.385%0.85264%0.641SS**  trans-137.983.6159.2-75.7-168.8175.9-178.10108.8V19V19-K21 PolarHBondContact O-N 2.82Å; V19-K21 VanDerWaalsContact O-N 3.14Å
22G57.3Low61.4Low51 Ų51108.2 Ų108.253%0.52661%0.613SS.*SBendtrans111.1178.9171.900000115.3L24G22-L24 PolarHBondContact O-N 2.81Å
23P63.8Low64Low86 Ų86110.5 Ų110.556%0.55861%0.607SS**SBendtrans-70.322.9-176.130.7-36.3000114.6
24L73.7Confident66Low71 Ų71111 Ų11137%0.37260%0.598SS.*EExtended strand (participates in β ladder)trans-123.5121.6-177.2-54.2177.3000108.2G22 V35 T37G22-L24 PolarHBondContact O-N 2.81Å; L24-V35 HydrophobicContact CB-CG1 4.38Å; L24-T37 HydrophobicContact CD2-CG2 3.22Å
25D78.4Confident68.4Low68 Ų68105.2 Ų105.236%0.36458%0.576SS.*EExtended strand (participates in β ladder)trans-93.3115.4172.8-72.1-31.7000109.2V35 Q36D25-V35 CarbonylContact O-C 3.56Å; D25-V35 WeakPolarHBondContact O-CA 3.47Å; D25-Q36 HydrophobicContact CB-CB 4.19Å; D25-Q36 PolarHBondContact N-O 2.94Å; D25-Q36 PolarHBondContact O-N 2.65Å
26L82.3Confident70.6Confident91 Ų91103.6 Ų103.648%0.47656%0.561SS.*EExtended strand (participates in β ladder)trans-95.5120.1172.2-170.670000109.3L33 V35L26-L33 HydrophobicContact CD1-CB 4.05Å; L26-L33 HydrophobicContact CD1-CD1 4.49Å; L26-L33 HydrophobicContact CD1-CD2 4.22Å; L26-L33 HydrophobicContact CD1-CG 4.49Å; L26-L33 HydrophobicContact CD2-CD2 4.22Å; L26-L33 HydrophobicContact CG-CD2 4.18Å; L26-V35 HydrophobicContact CD1-CG2 3.69Å
27I83.9Confident72.6Confident57 Ų5796.3 Ų96.329%0.29253%0.528SS..EExtended strand (participates in β ladder)trans-116.8117.6-179-55.9168.2000108.3T29 K34I27-T29 HydrophobicContact CG2-CG2 4.29Å; I27-K34 HydrophobicContact CB-CB 4.28Å; I27-K34 PolarHBondContact N-O 2.8Å; I27-K34 PolarHBondContact O-N 2.84Å
28E84.4Confident74.7Confident145 Ų14595 Ų9568%0.67852%0.516SS*.EExtended strand (participates in β ladder)trans-78.9124.5172.9-169.9172.5-169.200110.2L33E28-L33 HydrophobicContact CB-CD2 4.3Å; E28-L33 HydrophobicContact CG-CD2 4.38Å
29T82.5Confident76.9Confident85 Ų8593.4 Ų93.452%0.52151%0.506SS..  trans-113.648.9-178.864.70000111.1I27 K31 G32 K34I27-T29 HydrophobicContact CG2-CG2 4.29Å; T29-K31 PolarHBondContact O-N 2.89Å; T29-G32 PolarHBondContact N-O 2.65Å; T29-G32 PolarHBondContact OG1-O 2.92Å; T29-K34 HydrophobicContact CG2-CB 4.31Å
30G85.9Confident79.2Confident66 Ų6688.8 Ų88.868%0.6848%0.479SS*.SBendtrans76.4-75.9-178.800000113.2
31K89Confident81.4Confident222 Ų22283.4 Ų83.497%0.96545%0.454SS*.SBendtrans-105.13.5178.7-64.9-171.2-180-175.60114T29T29-K31 PolarHBondContact O-N 2.89Å
32G85.5Confident83.9Confident29 Ų2974.1 Ų74.130%0.29941%0.413SS..  trans-139.9163.2-171.900000112.3T29T29-G32 PolarHBondContact N-O 2.65Å; T29-G32 PolarHBondContact OG1-O 2.92Å
33L87.6Confident85.6Confident120 Ų12072.8 Ų72.863%0.62840%0.395SS*.EExtended strand (participates in β ladder)trans-116.6125.6174.2-68.7175.1000108.6L26 E28L26-L33 HydrophobicContact CD1-CB 4.05Å; L26-L33 HydrophobicContact CD1-CD1 4.49Å; L26-L33 HydrophobicContact CD1-CD2 4.22Å; L26-L33 HydrophobicContact CD1-CG 4.49Å; L26-L33 HydrophobicContact CD2-CD2 4.22Å; L26-L33 HydrophobicContact CG-CD2 4.18Å; E28-L33 HydrophobicContact CB-CD2 4.3Å; E28-L33 HydrophobicContact CG-CD2 4.38Å
34K86Confident87Confident110 Ų11069 Ų6948%0.47837%0.371SS..EExtended strand (participates in β ladder)trans-105.6122.5171.4176.2178.8172.4-171.70108.1I27 T29I27-K34 HydrophobicContact CB-CB 4.28Å; I27-K34 PolarHBondContact N-O 2.8Å; I27-K34 PolarHBondContact O-N 2.84Å; T29-K34 HydrophobicContact CG2-CB 4.31Å
35V87.7Confident87.5Confident68 Ų6871.4 Ų71.441%0.41238%0.383SS..EExtended strand (participates in β ladder)trans-96.6131.2168.9-169.10000108.7L24 D25 L26 T37 L56L24-V35 HydrophobicContact CB-CG1 4.38Å; D25-V35 CarbonylContact O-C 3.56Å; D25-V35 WeakPolarHBondContact O-CA 3.47Å; L26-V35 HydrophobicContact CD1-CG2 3.69Å; V35-T37 HydrophobicContact CG1-CG2 4.25Å; V35-L56 HydrophobicContact CB-CD1 3.87Å; V35-L56 HydrophobicContact CG1-CD1 3.34Å; V35-L56 HydrophobicContact CG2-CD1 4.16Å
36Q84.9Confident87.5Confident72 Ų7269.6 Ų69.634%0.33638%0.38SS..EExtended strand (participates in β ladder)trans-122134.5176.2179.9166.4-8.900109.4D25D25-Q36 HydrophobicContact CB-CB 4.19Å; D25-Q36 PolarHBondContact N-O 2.94Å; D25-Q36 PolarHBondContact O-N 2.65Å
37T86.7Confident86.8Confident16 Ų1668.4 Ų68.410%0.09838%0.38CS..EExtended strand (participates in β ladder)trans-134.2158.2179.171.20000109L24 V35 K39 H41 P153L24-T37 HydrophobicContact CD2-CG2 3.22Å; V35-T37 HydrophobicContact CG1-CG2 4.25Å; T37-K39 PolarHBondContact OG1-O 2.91Å; T37-H41 PolarHBondContact OG1-CE1 3.11Å; T37-H41 PolarHBondContact OG1-ND1 3.34Å; T37-P153 VanDerWaalsContact O-CB 3.24Å; T37-P153 WeakPolarHBondContact O-CB 3.48Å; T37-P153 WeakPolarHBondContact O-CG 3.12Å
38D86.5Confident85.9Confident91 Ų9167.9 Ų67.949%0.48739%0.389SS..SBendtrans-97.9-34.217361.2-18.8000111.8
39K91Very high85.3Confident81 Ų8173.2 Ų73.235%0.35240%0.402SS..SBendtrans-83.9151.4-178.4-67.3-172.9-176.5-175.80114.2T37 H41 E60 P153T37-K39 PolarHBondContact OG1-O 2.91Å; K39-H41 PolarHBondContact O-ND1 3.12Å; K39-E60 WeakPolarHBondContact CD-OE1 3.27Å; K39-E60 IonicContact NZ-OE1 2.65Å; K39-E60 PolarHBondContact NZ-OE1 3.2Å; K39-E60 IonicContact NZ-OE2 3.48Å; K39-E60 PolarHBondContact NZ-OE2 3.29Å; K39-P153 WeakPolarHBondContact O-CD 3.22Å
40P94.1Very high85Confident12 Ų1277 Ų778%0.07842%0.418CS..  trans-58.5140.8169.8-20.232.3000111.7L59 L94 F150 N151P40-L59 HydrophobicContact CB-CB 4.44Å; P40-L59 PolarHBondContact O-N 3.44Å; P40-L94 HydrophobicContact CB-CD1 3.64Å; P40-L94 HydrophobicContact CB-CD2 3.89Å; P40-L94 HydrophobicContact CB-CG 4.44Å; P40-L94 HydrophobicContact CG-CD1 3.59Å; P40-F150 HydrophobicContact CB-CE2 4.1Å; P40-F150 HydrophobicContact CB-CZ 4.45Å; P40-N151 CarbonylContact C-O 3.3Å; P40-N151 VanDerWaalsContact CA-O 3.26Å; P40-N151 WeakPolarHBondContact CA-O 3.41Å
41H95Very high84.7Confident15 Ų1576.1 Ų76.17%0.06940%0.402CS..EExtended strand (participates in β ladder)trans-154.2158.7-177.758.4-81.7000111.4T37 K39 L57 N151T37-H41 PolarHBondContact OG1-CE1 3.11Å; T37-H41 PolarHBondContact OG1-ND1 3.34Å; K39-H41 PolarHBondContact O-ND1 3.12Å; H41-L57 CarbonylContact C-O 3.44Å; H41-L57 VanDerWaalsContact CA-O 3.27Å; H41-L57 WeakPolarHBondContact CA-O 3.47Å; H41-L57 WeakPolarHBondContact CB-O 3.43Å; H41-N151 VanDerWaalsContact CE1-CB 3.44Å; H41-N151 WeakPolarHBondContact CE1-CB 3.46Å; H41-N151 PolarHBondContact N-O 3.48Å; H41-N151 WeakPolarHBondContact NE2-CB 3.45Å; H41-N151 PolarHBondContact NE2-ND2 2.84Å; H41-N151 VanDerWaalsContact NE2-ND2 3.17Å; H41-N151 PolarHBondContact O-N 2.84Å
42L95.5Very high84.5Confident0 Ų072.4 Ų72.40%040%0.398CS..EExtended strand (participates in β ladder)trans-95.8145.1165-52.4174000109.6L56 L57 L59 I66 I73 I87 L140 L148 R149 F150L42-L56 WeakPolarHBondContact O-CA 3.41Å; L42-L57 HydrophobicContact CB-CB 4.14Å; L42-L57 HydrophobicContact CB-CD1 4.33Å; L42-L57 PolarHBondContact N-O 2.96Å; L42-L57 PolarHBondContact O-N 3.43Å; L42-L59 HydrophobicContact CD1-CD2 4.31Å; L42-L59 HydrophobicContact CD2-CD1 4.02Å; L42-L59 HydrophobicContact CG-CD1 3.96Å; L42-L59 HydrophobicContact CG-CD2 4.28Å; L42-L59 HydrophobicContact CG-CG 4.3Å; L42-I66 HydrophobicContact CD1-CD1 3.87Å; L42-I73 HydrophobicContact CD1-CD1 4.2Å; L42-I87 HydrophobicContact CD1-CD1 4.04Å; L42-I87 HydrophobicContact CD2-CD1 4.19Å; L42-L140 HydrophobicContact CD2-CD1 3.8Å; L42-L148 HydrophobicContact CB-CB 4.44Å; L42-L148 HydrophobicContact CD1-CD1 3.84Å; L42-R149 CarbonylContact C-O 3.57Å; L42-R149 VanDerWaalsContact CA-O 3.32Å; L42-R149 WeakPolarHBondContact CA-O 3.28Å; L42-F150 HydrophobicContact CD2-CB 4.09Å; L42-F150 HydrophobicContact CD2-CD2 4.05Å
43V94.2Very high84.6Confident23 Ų2373.6 Ų73.614%0.13941%0.405CS..EExtended strand (participates in β ladder)trans-109.6122.1169.3-168.50000107.8I54 T55 L56 L148 R149V43-I54 HydrophobicContact CG1-CG2 3.69Å; V43-T55 WeakPolarHBondContact CA-O 3.29Å; V43-L56 HydrophobicContact CB-CD2 4.35Å; V43-L56 HydrophobicContact CG1-CD2 4.16Å; V43-L56 HydrophobicContact CG2-CD2 3.76Å; V43-L148 WeakPolarHBondContact O-CA 3.37Å; V43-R149 HydrophobicContact CB-CB 4.15Å; V43-R149 HydrophobicContact CG2-CB 4.5Å; V43-R149 PolarHBondContact N-O 3.06Å; V43-R149 PolarHBondContact O-N 2.95Å
44S91.8Very high84.7Confident8 Ų873.7 Ų73.76%0.05641%0.405CS..EExtended strand (participates in β ladder)trans-109.2134.5171.5-172.90000109.8G46 I54 T55S44-G46 PolarHBondContact OG-N 3.04Å; S44-I54 WeakPolarHBondContact O-CA 3.43Å; S44-T55 PolarHBondContact N-O 3.24Å; S44-T55 PolarHBondContact O-N 2.8Å
45L85.6Confident84.9Confident120 Ų12071.5 Ų71.563%0.62840%0.401SS*.  trans-88.77.2167.3-55.7179.3000111.5S51 A53 I54L45-S51 WeakPolarHBondContact O-CB 3.21Å; L45-S51 PolarHBondContact O-OG 2.89Å; L45-A53 CarbonylContact C-O 3.47Å; L45-I54 HydrophobicContact CD2-CD1 4.16Å; L45-I54 HydrophobicContact CD2-CG1 3.85Å; L45-I54 HydrophobicContact CD2-CG2 4.33Å
46G77.4Confident85.2Confident30 Ų3070.3 Ų70.331%0.30939%0.392SS..  trans86172.5-17400000114.3S44 G48 S51S44-G46 PolarHBondContact OG-N 3.04Å; G46-G48 VanDerWaalsContact C-N 3.34Å; G46-G48 PolarHBondContact O-N 2.79Å; G46-S51 WeakPolarHBondContact CA-OG 3.44Å
47S66.6Low85.6Confident67 Ų6768.4 Ų68.447%0.46938%0.384SS..SBendtrans-86.210.8-166.147.90000115.4Q76S47-Q76 WeakPolarHBondContact CB-O 3.48Å
48G66.1Low86Confident46 Ų4670.7 Ų70.747%0.47440%0.399SS..SBendtrans178.9177.7-178.700000115.6G46 L50 S51G46-G48 VanDerWaalsContact C-N 3.34Å; G46-G48 PolarHBondContact O-N 2.79Å; G48-L50 PolarHBondContact O-N 2.94Å; G48-L50 VanDerWaalsContact O-N 3.09Å; G48-S51 WeakPolarHBondContact O-CB 3.31Å; G48-S51 PolarHBondContact O-N 2.82Å
49R71.1Confident86.4Confident257 Ų25766.4 Ų66.497%0.9738%0.376SS*.THydrogen-bonded Turntrans-59.5-21.4-176.7-64.5178.5-178.9-108.30.5114.4
50L76.9Confident86.6Confident164 Ų16466.8 Ų66.886%0.85938%0.379SS*.THydrogen-bonded Turntrans-93.3-10.2-178.7-57.5179.2000112.8G48 T52G48-L50 PolarHBondContact O-N 2.94Å; G48-L50 VanDerWaalsContact O-N 3.09Å; L50-T52 PolarHBondContact O-N 3.35Å
51S80.6Confident86.7Confident47 Ų4772.8 Ų72.833%0.32941%0.406SS..  trans-71.2123.8175.6-177.40000109.7L45 G46 G48L45-S51 WeakPolarHBondContact O-CB 3.21Å; L45-S51 PolarHBondContact O-OG 2.89Å; G46-S51 WeakPolarHBondContact CA-OG 3.44Å; G48-S51 WeakPolarHBondContact O-CB 3.31Å; G48-S51 PolarHBondContact O-N 2.82Å
52T84Confident86.9Confident145 Ų14573.4 Ų73.489%0.8942%0.416SS*.  trans-106.3-9.1175.855.10000112.2L50L50-T52 PolarHBondContact O-N 3.35Å
53A86.8Confident87Confident54 Ų5479.8 Ų79.845%0.44644%0.44SS..  trans-93.6144.9-175.900000112.1L45L45-A53 CarbonylContact C-O 3.47Å
54I90Very high87.2Confident121 Ų12179.4 Ų79.462%0.62144%0.438SS*.  trans-102126166.6-57.4179.7000107.4V43 S44 L45V43-I54 HydrophobicContact CG1-CG2 3.69Å; S44-I54 WeakPolarHBondContact O-CA 3.43Å; L45-I54 HydrophobicContact CD2-CD1 4.16Å; L45-I54 HydrophobicContact CD2-CG1 3.85Å; L45-I54 HydrophobicContact CD2-CG2 4.33Å
55T90.9Very high87.5Confident64 Ų6480.1 Ų80.139%0.39344%0.442SS..EExtended strand (participates in β ladder)trans-113.4130.2179.8-52.70000110.1V43 S44 L57V43-T55 WeakPolarHBondContact CA-O 3.29Å; S44-T55 PolarHBondContact N-O 3.24Å; S44-T55 PolarHBondContact O-N 2.8Å; T55-L57 HydrophobicContact CG2-CD2 3.78Å; T55-L57 HydrophobicContact CG2-CG 4.1Å
56L92.6Very high88.1Confident44 Ų4474.4 Ų74.423%0.2341%0.412CS..EExtended strand (participates in β ladder)trans-98.8125.5170-62.5171.7000108.5V35 L42 V43V35-L56 HydrophobicContact CB-CD1 3.87Å; V35-L56 HydrophobicContact CG1-CD1 3.34Å; V35-L56 HydrophobicContact CG2-CD1 4.16Å; L42-L56 WeakPolarHBondContact O-CA 3.41Å; V43-L56 HydrophobicContact CB-CD2 4.35Å; V43-L56 HydrophobicContact CG1-CD2 4.16Å; V43-L56 HydrophobicContact CG2-CD2 3.76Å
57L94.3Very high89Confident31 Ų3173 Ų7316%0.16240%0.398CS..EExtended strand (participates in β ladder)trans-11698.8-176.4-59.4163.1000107.9H41 L42 T55 I73 L75 L148H41-L57 CarbonylContact C-O 3.44Å; H41-L57 VanDerWaalsContact CA-O 3.27Å; H41-L57 WeakPolarHBondContact CA-O 3.47Å; H41-L57 WeakPolarHBondContact CB-O 3.43Å; L42-L57 HydrophobicContact CB-CB 4.14Å; L42-L57 HydrophobicContact CB-CD1 4.33Å; L42-L57 PolarHBondContact N-O 2.96Å; L42-L57 PolarHBondContact O-N 3.43Å; T55-L57 HydrophobicContact CG2-CD2 3.78Å; T55-L57 HydrophobicContact CG2-CG 4.1Å; L57-I73 HydrophobicContact CB-CD1 3.99Å; L57-I73 HydrophobicContact CD1-CD1 4.37Å; L57-I73 HydrophobicContact CD1-CG2 3.77Å; L57-I73 HydrophobicContact CD2-CG2 4.35Å; L57-L75 HydrophobicContact CD1-CD2 4.49Å; L57-L148 HydrophobicContact CD1-CD2 4.42Å
58P94.3Very high90.4Very high65 Ų6572.2 Ų72.242%0.42239%0.392SS..EExtended strand (participates in β ladder)trans-60.1143.6179.8-22.333.6000112
59L96.3Very high91.8Very high1 Ų173.6 Ų73.61%0.00540%0.399CS..  trans-111.487.2174.1-63.6172.1000108.9P40 L42 T64 I73 I87 N89 L94 F150P40-L59 HydrophobicContact CB-CB 4.44Å; P40-L59 PolarHBondContact O-N 3.44Å; L42-L59 HydrophobicContact CD1-CD2 4.31Å; L42-L59 HydrophobicContact CD2-CD1 4.02Å; L42-L59 HydrophobicContact CG-CD1 3.96Å; L42-L59 HydrophobicContact CG-CD2 4.28Å; L42-L59 HydrophobicContact CG-CG 4.3Å; L59-T64 HydrophobicContact CD2-CG2 4.08Å; L59-I73 HydrophobicContact CD2-CD1 4.37Å; L59-I87 HydrophobicContact CD1-CD1 4.14Å; L59-I87 HydrophobicContact CD1-CG2 4.35Å; L59-I87 HydrophobicContact CD2-CB 4.48Å; L59-I87 HydrophobicContact CD2-CD1 4.22Å; L59-N89 PolarHBondContact O-ND2 3.02Å; L59-L94 HydrophobicContact CB-CD2 3.67Å; L59-L94 HydrophobicContact CD1-CD2 3.46Å; L59-L94 VanDerWaalsContact CD1-CD2 3.46Å; L59-L94 HydrophobicContact CG-CD2 4.19Å; L59-F150 HydrophobicContact CD1-CD2 4.02Å; L59-F150 HydrophobicContact CD1-CE2 3.92Å
60E94.9Very high92.9Very high88 Ų8861.8 Ų61.841%0.41136%0.357SS..  trans-69.4166.8178.2-64.1-62.5161.200111.9K39 N89K39-E60 WeakPolarHBondContact CD-OE1 3.27Å; K39-E60 IonicContact NZ-OE1 2.65Å; K39-E60 PolarHBondContact NZ-OE1 3.2Å; K39-E60 IonicContact NZ-OE2 3.48Å; K39-E60 PolarHBondContact NZ-OE2 3.29Å; E60-N89 VanDerWaalsContact O-CB 3.29Å; E60-N89 WeakPolarHBondContact O-CB 3.44Å; E60-N89 PolarHBondContact O-ND2 3.48Å
61E96.4Very high93.6Very high139 Ų13965.3 Ų65.365%0.6536%0.359SS*.SBendtrans-61.8139.9177.2-173.3164.8-156.100111.4
62G97.8Very high94.4Very high27 Ų2766.9 Ų66.928%0.27836%0.363SS..EExtended strand (participates in β ladder)trans102.5-150.8-174.200000112.8E88 N89G62-E88 CarbonylContact O-C 3.17Å; G62-E88 WeakPolarHBondContact O-CA 3.43Å; G62-N89 PolarHBondContact N-O 2.8Å; G62-N89 PolarHBondContact O-N 2.91Å
63R98Very high94.9Very high134 Ų13460.5 Ų60.551%0.50632%0.323SS..EExtended strand (participates in β ladder)trans-105129.1-172.2-176.6175.8-177.6-154.2-4.8110.8V65 Y86R63-V65 HydrophobicContact CG-CG2 4.4Å; R63-Y86 HydrophobicContact CG-CD2 3.71Å; R63-Y86 HydrophobicContact CG-CE2 4.45Å; R63-Y86 HydrophobicContact CG-CG 4.1Å; R63-Y86 VanDerWaalsContact NE-CD2 3.32Å
64T98.4Very high95.3Very high16 Ų1661.6 Ų61.610%0.09833%0.328CS..EExtended strand (participates in β ladder)trans-115114.7172.6-56.70000109.6L59 D72 I73 Y86 I87L59-T64 HydrophobicContact CD2-CG2 4.08Å; T64-D72 HydrophobicContact CG2-CB 3.92Å; T64-I73 HydrophobicContact CG2-CD1 3.55Å; T64-I73 HydrophobicContact CG2-CG1 3.8Å; T64-Y86 CarbonylContact O-C 3.52Å; T64-Y86 WeakPolarHBondContact O-CA 3.49Å; T64-Y86 VanDerWaalsContact O-CB 3.3Å; T64-Y86 WeakPolarHBondContact O-CB 3.47Å; T64-I87 PolarHBondContact N-O 2.92Å; T64-I87 PolarHBondContact O-N 3.34Å
65V98.4Very high95.4Very high22 Ų2256.7 Ų56.713%0.13330%0.303CS..EExtended strand (participates in β ladder)trans-88.7133.7179.1-174.60000110.6R63 A70 D72 I73 E83R63-V65 HydrophobicContact CG-CG2 4.4Å; V65-A70 HydrophobicContact CB-CB 4.48Å; V65-A70 HydrophobicContact CG1-CB 3.98Å; V65-D72 PolarHBondContact N-OD2 3.48Å; V65-I73 PolarHBondContact O-N 3.02Å; V65-I73 VanDerWaalsContact O-N 3.07Å; V65-E83 HydrophobicContact CG1-CB 4.37Å; V65-E83 HydrophobicContact CG1-CG 4.11Å
66I97.8Very high95.4Very high1 Ų160.4 Ų60.41%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-124.2134.9-176.3-48.1178.2000109.5L42 I73 L75 H84 C85 I87 L142L42-I66 HydrophobicContact CD1-CD1 3.87Å; I66-I73 WeakPolarHBondContact CA-O 3.26Å; I66-I73 HydrophobicContact CD1-CD1 4.44Å; I66-I73 HydrophobicContact CG1-CB 4.18Å; I66-I73 HydrophobicContact CG1-CD1 4.31Å; I66-I73 HydrophobicContact CG2-CB 4.34Å; I66-I73 HydrophobicContact CG2-CG2 4.21Å; I66-L75 HydrophobicContact CG2-CD1 3.73Å; I66-L75 HydrophobicContact CG2-CG 4.35Å; I66-H84 WeakPolarHBondContact O-CA 3.33Å; I66-H84 WeakPolarHBondContact O-CB 3.45Å; I66-H84 PolarHBondContact O-N 3.29Å; I66-C85 PolarHBondContact N-O 2.84Å; I66-C85 PolarHBondContact O-N 2.82Å; I66-C85 VanDerWaalsContact O-N 3.15Å; I66-C85 VanDerWaalsContact O-O 3.14Å; I66-I87 HydrophobicContact CD1-CD1 3.81Å; I66-I87 HydrophobicContact CD1-CG1 4.08Å; I66-L142 HydrophobicContact CG2-CD1 3.7Å
67G96.9Very high95.2Very high0 Ų059.7 Ų59.70%032%0.319CS..EExtended strand (participates in β ladder)trans171.3-172.6178.200000112.7A70 I73 S74 L75 A81 P82G67-A70 VanDerWaalsContact N-CB 3.27Å; G67-I73 PolarHBondContact N-O 3Å; G67-S74 CarbonylContact O-C 3.47Å; G67-S74 VanDerWaalsContact O-CA 3.28Å; G67-S74 WeakPolarHBondContact O-CA 3.37Å; G67-L75 PolarHBondContact O-N 3.1Å; G67-A81 WeakPolarHBondContact CA-O 3.24Å; G67-P82 CarbonylContact C-O 3.54Å; G67-P82 VanDerWaalsContact CA-O 3.31Å; G67-P82 WeakPolarHBondContact CA-O 3.29Å
68S95.8Very high95Very high50 Ų5061.1 Ų61.135%0.3533%0.33SS..SBendtrans-79-18.1-178.452.50000114.8S74 L75 L80 A81 P82S68-S74 PolarHBondContact O-OG 3.34Å; S68-L75 VanDerWaalsContact CA-O 3.31Å; S68-L75 WeakPolarHBondContact CA-O 3.42Å; S68-L80 WeakPolarHBondContact CB-O 3.19Å; S68-L80 PolarHBondContact OG-O 3.27Å; S68-A81 PolarHBondContact N-O 3.27Å; S68-A81 VanDerWaalsContact OG-C 3.26Å; S68-A81 PolarHBondContact OG-O 2.93Å; S68-P82 PolarHBondContact N-O 2.92Å; S68-P82 WeakPolarHBondContact OG-CA 3.37Å
69A94.6Very high94.9Very high75 Ų7560.4 Ų60.462%0.6233%0.334SS*.SBendtrans-13526.5173.600000111.2P82A69-P82 CarbonylContact C-O 3.58Å; A69-P82 HydrophobicContact CB-CB 4.1Å; A69-P82 PolarHBondContact N-O 3.29Å; A69-P82 VanDerWaalsContact N-O 3.15Å
70A94.6Very high94.9Very high10 Ų1061 Ų618%0.08334%0.338CS..  trans-72146.718000000111.1V65 G67 P82V65-A70 HydrophobicContact CB-CB 4.48Å; V65-A70 HydrophobicContact CG1-CB 3.98Å; G67-A70 VanDerWaalsContact N-CB 3.27Å; A70-P82 PolarHBondContact N-O 2.94Å
71R92.8Very high95Very high238 Ų23857.9 Ų57.990%0.89833%0.327SS*.SBendtrans-67.3-39.5179.9-179.6-176.7173.3175-2113
72D96.4Very high95Very high79 Ų7955.1 Ų55.142%0.42232%0.321SS..SBendtrans-91.9-55.1-169-48.6-40.7000111.4T64 V65T64-D72 HydrophobicContact CG2-CB 3.92Å; V65-D72 PolarHBondContact N-OD2 3.48Å
73I95.6Very high95Very high11 Ų1159.7 Ų59.76%0.05634%0.335CS..EExtended strand (participates in β ladder)trans-127.299.3176.7-57.3178.2000109.5L42 L57 L59 T64 V65 I66 G67 L75L42-I73 HydrophobicContact CD1-CD1 4.2Å; L57-I73 HydrophobicContact CB-CD1 3.99Å; L57-I73 HydrophobicContact CD1-CD1 4.37Å; L57-I73 HydrophobicContact CD1-CG2 3.77Å; L57-I73 HydrophobicContact CD2-CG2 4.35Å; L59-I73 HydrophobicContact CD2-CD1 4.37Å; T64-I73 HydrophobicContact CG2-CD1 3.55Å; T64-I73 HydrophobicContact CG2-CG1 3.8Å; V65-I73 PolarHBondContact O-N 3.02Å; V65-I73 VanDerWaalsContact O-N 3.07Å; I66-I73 WeakPolarHBondContact CA-O 3.26Å; I66-I73 HydrophobicContact CD1-CD1 4.44Å; I66-I73 HydrophobicContact CG1-CB 4.18Å; I66-I73 HydrophobicContact CG1-CD1 4.31Å; I66-I73 HydrophobicContact CG2-CB 4.34Å; I66-I73 HydrophobicContact CG2-CG2 4.21Å; G67-I73 PolarHBondContact N-O 3Å; I73-L75 HydrophobicContact CG2-CD1 4.25Å; I73-L75 HydrophobicContact CG2-CD2 3.91Å; I73-L75 HydrophobicContact CG2-CG 3.89Å
74S94.3Very high94.9Very high77 Ų7753.3 Ų53.354%0.53831%0.311SS..EExtended strand (participates in β ladder)trans-88.1119.7173.7-169.20000110.7G67 S68G67-S74 CarbonylContact O-C 3.47Å; G67-S74 VanDerWaalsContact O-CA 3.28Å; G67-S74 WeakPolarHBondContact O-CA 3.37Å; S68-S74 PolarHBondContact O-OG 3.34Å
75L92.4Very high94.9Very high19 Ų1952.6 Ų52.610%0.09931%0.306CS..  trans-119.4160.7178.1-57.7173.5000110.6L57 I66 G67 S68 I73 L80 L142 T146 L148L57-L75 HydrophobicContact CD1-CD2 4.49Å; I66-L75 HydrophobicContact CG2-CD1 3.73Å; I66-L75 HydrophobicContact CG2-CG 4.35Å; G67-L75 PolarHBondContact O-N 3.1Å; S68-L75 VanDerWaalsContact CA-O 3.31Å; S68-L75 WeakPolarHBondContact CA-O 3.42Å; I73-L75 HydrophobicContact CG2-CD1 4.25Å; I73-L75 HydrophobicContact CG2-CD2 3.91Å; I73-L75 HydrophobicContact CG2-CG 3.89Å; L75-L80 HydrophobicContact CB-CD2 3.71Å; L75-L80 WeakPolarHBondContact O-CD2 3.3Å; L75-L142 HydrophobicContact CD1-CD1 4.42Å; L75-T146 HydrophobicContact CB-CG2 4.16Å; L75-T146 HydrophobicContact CD1-CG2 3.8Å; L75-L148 HydrophobicContact CD1-CD1 3.58Å; L75-L148 HydrophobicContact CD1-CD2 4.08Å; L75-L148 HydrophobicContact CD1-CG 4.23Å
76Q89.8Confident94.9Very high142 Ų14254 Ų5466%0.66431%0.309SS*.  trans-115.4144.3172.2-65.9-175.6-2200109.6S47 T146S47-Q76 WeakPolarHBondContact CB-O 3.48Å; Q76-T146 PolarHBondContact O-OG1 3.26Å
77G88.8Confident95Very high29 Ų2954 Ų5430%0.29931%0.309SS..  trans165157.5174.900000113.1G79 L80G77-G79 PolarHBondContact O-N 3.31Å; G77-L80 WeakPolarHBondContact O-CB 3.35Å; G77-L80 PolarHBondContact O-N 3.45Å
78P90.5Very high95.1Very high61 Ų6156.4 Ų56.440%0.39632%0.321SS..THydrogen-bonded Turntrans-64.4133.7179.226.2-32.9000111.3L80 Q144 S145P78-L80 VanDerWaalsContact C-N 3.31Å; P78-L80 PolarHBondContact O-N 2.94Å; P78-Q144 HydrophobicContact CB-CB 4.35Å; P78-Q144 HydrophobicContact CG-CB 4.2Å; P78-Q144 WeakPolarHBondContact O-CB 3.4Å; P78-Q144 PolarHBondContact O-N 2.85Å; P78-S145 VanDerWaalsContact CD-OG 3.32Å; P78-S145 WeakPolarHBondContact CD-OG 3.31Å; P78-S145 WeakPolarHBondContact CG-OG 3.46Å
79G92.8Very high95.1Very high49 Ų4954.5 Ų54.551%0.50531%0.307SS..THydrogen-bonded Turntrans76.89.9179.700000115.3G77 A81 H84 G143G77-G79 PolarHBondContact O-N 3.31Å; G79-A81 PolarHBondContact O-N 3.03Å; G79-H84 PolarHBondContact O-CE1 3.35Å; G79-G143 WeakPolarHBondContact O-CA 3.07Å
80L94.9Very high95.3Very high15 Ų1555.3 Ų55.38%0.07930%0.3CS..  trans-88.1105.4178.2-162.578.7000112S68 L75 G77 P78 H84 L142S68-L80 WeakPolarHBondContact CB-O 3.19Å; S68-L80 PolarHBondContact OG-O 3.27Å; L75-L80 HydrophobicContact CB-CD2 3.71Å; L75-L80 WeakPolarHBondContact O-CD2 3.3Å; G77-L80 WeakPolarHBondContact O-CB 3.35Å; G77-L80 PolarHBondContact O-N 3.45Å; P78-L80 VanDerWaalsContact C-N 3.31Å; P78-L80 PolarHBondContact O-N 2.94Å; L80-H84 HydrophobicContact CD1-CB 3.89Å; L80-H84 HydrophobicContact CG-CB 4.32Å; L80-L142 HydrophobicContact CD1-CB 3.59Å; L80-L142 HydrophobicContact CD1-CD1 4.33Å
81A97.2Very high95.2Very high22 Ų2265.6 Ų65.618%0.18234%0.337CS..  trans-57.4155.9171.100000114.3G67 S68 G79 E83 H84 N101G67-A81 WeakPolarHBondContact CA-O 3.24Å; S68-A81 PolarHBondContact N-O 3.27Å; S68-A81 VanDerWaalsContact OG-C 3.26Å; S68-A81 PolarHBondContact OG-O 2.93Å; G79-A81 PolarHBondContact O-N 3.03Å; A81-E83 PolarHBondContact O-N 2.96Å; A81-H84 HydrophobicContact CB-CB 4.45Å; A81-H84 PolarHBondContact N-ND1 3.04Å; A81-H84 VanDerWaalsContact N-ND1 3.18Å; A81-N101 WeakPolarHBondContact CB-OD1 3.31Å
82P97.1Very high95.1Very high81 Ų8155.5 Ų55.553%0.52631%0.307SS..SBendtrans-53.5-47.9178.2-29.837.1000113.8G67 S68 A69 A70G67-P82 CarbonylContact C-O 3.54Å; G67-P82 VanDerWaalsContact CA-O 3.31Å; G67-P82 WeakPolarHBondContact CA-O 3.29Å; S68-P82 PolarHBondContact N-O 2.92Å; S68-P82 WeakPolarHBondContact OG-CA 3.37Å; A69-P82 CarbonylContact C-O 3.58Å; A69-P82 HydrophobicContact CB-CB 4.1Å; A69-P82 PolarHBondContact N-O 3.29Å; A69-P82 VanDerWaalsContact N-O 3.15Å; A70-P82 PolarHBondContact N-O 2.94Å
83E97.1Very high95Very high122 Ų12254.8 Ų54.857%0.5731%0.305SS*.SBendtrans-116.799.1165.8-67.7-173.7-165.400107.6V65 A81 N101V65-E83 HydrophobicContact CG1-CB 4.37Å; V65-E83 HydrophobicContact CG1-CG 4.11Å; A81-E83 PolarHBondContact O-N 2.96Å; E83-N101 PolarHBondContact O-ND2 3.45Å
84H97.8Very high95.1Very high1 Ų154.2 Ų54.21%0.00530%0.303CS..  trans-87.4-49.4-170-162.988.5000112.3I66 G79 L80 A81 C99 N101 A102 G143I66-H84 WeakPolarHBondContact O-CA 3.33Å; I66-H84 WeakPolarHBondContact O-CB 3.45Å; I66-H84 PolarHBondContact O-N 3.29Å; G79-H84 PolarHBondContact O-CE1 3.35Å; L80-H84 HydrophobicContact CD1-CB 3.89Å; L80-H84 HydrophobicContact CG-CB 4.32Å; A81-H84 HydrophobicContact CB-CB 4.45Å; A81-H84 PolarHBondContact N-ND1 3.04Å; A81-H84 VanDerWaalsContact N-ND1 3.18Å; H84-C99 WeakPolarHBondContact O-CB 3.43Å; H84-C99 PolarHBondContact O-N 2.86Å; H84-N101 WeakPolarHBondContact CA-ND2 3.13Å; H84-N101 VanDerWaalsContact CE1-CB 3.46Å; H84-N101 WeakPolarHBondContact CE1-CB 3.44Å; H84-N101 PolarHBondContact O-ND2 3.23Å; H84-A102 PolarHBondContact NE2-O 2.99Å; H84-G143 PolarHBondContact CE1-N 2.94Å; H84-G143 PolarHBondContact NE2-N 2.79Å; H84-G143 VanDerWaalsContact NE2-N 3.2Å
85C98.2Very high95.2Very high0 Ų051.8 Ų51.80%028%0.284CS..EExtended strand (participates in β ladder)trans-155.6175.7178.461.20000109I66 L96 Y97I66-C85 PolarHBondContact N-O 2.84Å; I66-C85 PolarHBondContact O-N 2.82Å; I66-C85 VanDerWaalsContact O-N 3.15Å; I66-C85 VanDerWaalsContact O-O 3.14Å; C85-L96 HydrophobicContact CB-CD1 4Å; C85-Y97 WeakPolarHBondContact CA-O 3.23Å; C85-Y97 VanDerWaalsContact CB-O 3.26Å; C85-Y97 WeakPolarHBondContact CB-O 3.26Å
86Y98.5Very high95.5Very high51 Ų5150.9 Ų50.920%0.228%0.28CS..EExtended strand (participates in β ladder)trans-137.3152.9164.963-85.8000110.5R63 T64 Y97R63-Y86 HydrophobicContact CG-CD2 3.71Å; R63-Y86 HydrophobicContact CG-CE2 4.45Å; R63-Y86 HydrophobicContact CG-CG 4.1Å; R63-Y86 VanDerWaalsContact NE-CD2 3.32Å; T64-Y86 CarbonylContact O-C 3.52Å; T64-Y86 WeakPolarHBondContact O-CA 3.49Å; T64-Y86 VanDerWaalsContact O-CB 3.3Å; T64-Y86 WeakPolarHBondContact O-CB 3.47Å; Y86-Y97 AromaticContact CD2-CD2 3.82Å; Y86-Y97 HydrophobicContact CD2-CD2 3.82Å; Y86-Y97 HydrophobicContact CD2-CG 4.09Å; Y86-Y97 HydrophobicContact CE1-CG 4.02Å; Y86-Y97 HydrophobicContact CE2-CD1 4.03Å; Y86-Y97 AromaticContact CE2-CD2 3.3Å; Y86-Y97 HydrophobicContact CE2-CD2 3.3Å; Y86-Y97 AromaticContact CE2-CE2 3.9Å; Y86-Y97 HydrophobicContact CE2-CE2 3.9Å; Y86-Y97 AromaticContact CE2-CG 3.37Å; Y86-Y97 HydrophobicContact CE2-CG 3.37Å; Y86-Y97 AromaticContact CZ-CD1 3.69Å; Y86-Y97 AromaticContact CZ-CD2 3.81Å; Y86-Y97 AromaticContact CZ-CG 3.32Å; Y86-Y97 PolarHBondContact N-O 2.82Å; Y86-Y97 VanDerWaalsContact N-O 3.12Å; Y86-Y97 PolarHBondContact O-N 2.84Å; Y86-Y97 WeakPolarHBondContact OH-CD1 3.27Å
87I98.6Very high95.9Very high1 Ų146.6 Ų46.61%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-107.8127.5169.7-61.4173.5000107.3L42 L59 T64 I66 L94 T95 L96 L116 L140L42-I87 HydrophobicContact CD1-CD1 4.04Å; L42-I87 HydrophobicContact CD2-CD1 4.19Å; L59-I87 HydrophobicContact CD1-CD1 4.14Å; L59-I87 HydrophobicContact CD1-CG2 4.35Å; L59-I87 HydrophobicContact CD2-CB 4.48Å; L59-I87 HydrophobicContact CD2-CD1 4.22Å; T64-I87 PolarHBondContact N-O 2.92Å; T64-I87 PolarHBondContact O-N 3.34Å; I66-I87 HydrophobicContact CD1-CD1 3.81Å; I66-I87 HydrophobicContact CD1-CG1 4.08Å; I87-L94 HydrophobicContact CG2-CB 4.13Å; I87-L94 HydrophobicContact CG2-CD2 3.89Å; I87-T95 WeakPolarHBondContact CA-O 3.17Å; I87-L96 HydrophobicContact CD1-CD1 4.45Å; I87-L96 HydrophobicContact CG1-CD1 3.77Å; I87-L116 HydrophobicContact CD1-CD1 3.82Å; I87-L116 HydrophobicContact CG1-CD1 4.26Å; I87-L116 HydrophobicContact CG2-CD1 4.27Å; I87-L140 HydrophobicContact CD1-CD1 4.3Å
88E98.5Very high96.3Very high51 Ų5146.3 Ų46.324%0.23825%0.251CS..EExtended strand (participates in β ladder)trans-100.6126.1171.5-167-178.4-137.600108.8G62 L90 L94 T95 Y97G62-E88 CarbonylContact O-C 3.17Å; G62-E88 WeakPolarHBondContact O-CA 3.43Å; E88-L90 HydrophobicContact CG-CD1 4.43Å; E88-L90 HydrophobicContact CG-CD2 4.01Å; E88-L90 HydrophobicContact CG-CG 3.89Å; E88-L94 CarbonylContact O-C 3.52Å; E88-L94 VanDerWaalsContact O-CA 3.29Å; E88-L94 WeakPolarHBondContact O-CA 3.41Å; E88-T95 PolarHBondContact N-O 3.07Å; E88-T95 PolarHBondContact O-N 2.78Å; E88-Y97 HydrophobicContact CB-CD2 4.25Å; E88-Y97 HydrophobicContact CB-CE2 3.68Å; E88-Y97 PolarHBondContact OE2-OH 3.17Å
89N97.8Very high96.6Very high10 Ų1046.1 Ų46.15%0.05325%0.25CC..EExtended strand (participates in β ladder)trans-107.8104.6172.5178.16.6000108.9L59 E60 G62 G92 L94L59-N89 PolarHBondContact O-ND2 3.02Å; E60-N89 VanDerWaalsContact O-CB 3.29Å; E60-N89 WeakPolarHBondContact O-CB 3.44Å; E60-N89 PolarHBondContact O-ND2 3.48Å; G62-N89 PolarHBondContact N-O 2.8Å; G62-N89 PolarHBondContact O-N 2.91Å; N89-G92 WeakPolarHBondContact OD1-CA 3.47Å; N89-G92 PolarHBondContact OD1-N 2.84Å; N89-L94 HydrophobicContact CB-CD2 4.02Å; N89-L94 HydrophobicContact CB-CG 4.04Å
90L97Very high96.7Very high92 Ų9247.7 Ų47.748%0.48227%0.266SS..EExtended strand (participates in β ladder)trans-104.5102.7174.3-62.1179.3000108.7E88 G92 T93E88-L90 HydrophobicContact CG-CD1 4.43Å; E88-L90 HydrophobicContact CG-CD2 4.01Å; E88-L90 HydrophobicContact CG-CG 3.89Å; L90-G92 PolarHBondContact O-N 2.91Å; L90-G92 VanDerWaalsContact O-N 3.12Å; L90-T93 PolarHBondContact N-O 3.17Å; L90-T93 WeakPolarHBondContact O-CB 3.32Å; L90-T93 PolarHBondContact O-N 2.88Å
91R93.9Very high96.8Very high226 Ų22649.2 Ų49.285%0.85328%0.275SS*.THydrogen-bonded Turntrans50.439.1177.3-58174.161.4-155.3-1.9113.5
92G90.6Very high96.8Very high26 Ų2651.4 Ų51.427%0.26829%0.293SS..THydrogen-bonded Turntrans87.80.4-179.900000115.1N89 L90 L94 H152N89-G92 WeakPolarHBondContact OD1-CA 3.47Å; N89-G92 PolarHBondContact OD1-N 2.84Å; L90-G92 PolarHBondContact O-N 2.91Å; L90-G92 VanDerWaalsContact O-N 3.12Å; G92-L94 WeakPolarHBondContact O-CD1 3.26Å; G92-H152 PolarHBondContact O-NE2 3.4Å
93T94.1Very high96.8Very high64 Ų6447.7 Ų47.739%0.39327%0.269SS..EExtended strand (participates in β ladder)trans-93.6115.7167.4-61.90000108.9L90 R115L90-T93 PolarHBondContact N-O 3.17Å; L90-T93 WeakPolarHBondContact O-CB 3.32Å; L90-T93 PolarHBondContact O-N 2.88Å; T93-R115 HydrophobicContact CG2-CG 4.38Å
94L97Very high96.7Very high0 Ų043.8 Ų43.80%025%0.253CS..EExtended strand (participates in β ladder)trans-103.3129.2-176.5-65.499.3000111.2P40 L59 I87 E88 N89 G92 R115 L116 F150P40-L94 HydrophobicContact CB-CD1 3.64Å; P40-L94 HydrophobicContact CB-CD2 3.89Å; P40-L94 HydrophobicContact CB-CG 4.44Å; P40-L94 HydrophobicContact CG-CD1 3.59Å; L59-L94 HydrophobicContact CB-CD2 3.67Å; L59-L94 HydrophobicContact CD1-CD2 3.46Å; L59-L94 VanDerWaalsContact CD1-CD2 3.46Å; L59-L94 HydrophobicContact CG-CD2 4.19Å; I87-L94 HydrophobicContact CG2-CB 4.13Å; I87-L94 HydrophobicContact CG2-CD2 3.89Å; E88-L94 CarbonylContact O-C 3.52Å; E88-L94 VanDerWaalsContact O-CA 3.29Å; E88-L94 WeakPolarHBondContact O-CA 3.41Å; N89-L94 HydrophobicContact CB-CD2 4.02Å; N89-L94 HydrophobicContact CB-CG 4.04Å; G92-L94 WeakPolarHBondContact O-CD1 3.26Å; L94-R115 CarbonylContact O-C 3.59Å; L94-R115 WeakPolarHBondContact O-CA 3.31Å; L94-L116 HydrophobicContact CB-CB 4.31Å; L94-L116 PolarHBondContact O-N 2.8Å; L94-F150 HydrophobicContact CB-CE2 4.41Å; L94-F150 HydrophobicContact CB-CZ 4.25Å; L94-F150 HydrophobicContact CD1-CE2 4.23Å; L94-F150 HydrophobicContact CD1-CZ 3.93Å; L94-F150 HydrophobicContact CD2-CE2 3.95Å; L94-F150 HydrophobicContact CD2-CZ 4.43Å; L94-F150 HydrophobicContact CG-CE2 4.42Å; L94-F150 HydrophobicContact CG-CZ 4.42Å
95T97.7Very high96.5Very high25 Ų2544.5 Ų44.515%0.15326%0.257CS..EExtended strand (participates in β ladder)trans-127.3126.6179.8-54.60000109.3I87 E88 Y97 P113 T114I87-T95 WeakPolarHBondContact CA-O 3.17Å; E88-T95 PolarHBondContact N-O 3.07Å; E88-T95 PolarHBondContact O-N 2.78Å; T95-Y97 HydrophobicContact CG2-CD2 4.07Å; T95-Y97 HydrophobicContact CG2-CE2 3.54Å; T95-Y97 WeakPolarHBondContact O-CD2 3.32Å; T95-P113 HydrophobicContact CG2-CB 3.9Å; T95-T114 WeakPolarHBondContact CA-O 3.34Å
96L98.4Very high96.2Very high0 Ų046.5 Ų46.50%027%0.267CS..EExtended strand (participates in β ladder)trans-85.6129.5173.5177.970.4000109.5C85 I87 C103 I105 V110 P113 T114 L116C85-L96 HydrophobicContact CB-CD1 4Å; I87-L96 HydrophobicContact CD1-CD1 4.45Å; I87-L96 HydrophobicContact CG1-CD1 3.77Å; L96-C103 HydrophobicContact CD2-CB 4.29Å; L96-I105 HydrophobicContact CD2-CD1 4.14Å; L96-I105 HydrophobicContact CD2-CG1 4.24Å; L96-V110 HydrophobicContact CD2-CG1 4.45Å; L96-P113 VanDerWaalsContact O-CA 3.31Å; L96-P113 WeakPolarHBondContact O-CA 3.4Å; L96-T114 PolarHBondContact N-O 2.89Å; L96-T114 PolarHBondContact O-N 3.36Å; L96-L116 HydrophobicContact CB-CD1 4.4Å; L96-L116 HydrophobicContact CB-CD2 3.95Å; L96-L116 HydrophobicContact CB-CG 4.18Å
97Y98.3Very high95.8Very high53 Ų5346.9 Ų46.921%0.20829%0.287CS..EExtended strand (participates in β ladder)trans-115.8108.1175.9-68.6-102.7000109.8C85 Y86 E88 T95 C99 P113C85-Y97 WeakPolarHBondContact CA-O 3.23Å; C85-Y97 VanDerWaalsContact CB-O 3.26Å; C85-Y97 WeakPolarHBondContact CB-O 3.26Å; Y86-Y97 AromaticContact CD2-CD2 3.82Å; Y86-Y97 HydrophobicContact CD2-CD2 3.82Å; Y86-Y97 HydrophobicContact CD2-CG 4.09Å; Y86-Y97 HydrophobicContact CE1-CG 4.02Å; Y86-Y97 HydrophobicContact CE2-CD1 4.03Å; Y86-Y97 AromaticContact CE2-CD2 3.3Å; Y86-Y97 HydrophobicContact CE2-CD2 3.3Å; Y86-Y97 AromaticContact CE2-CE2 3.9Å; Y86-Y97 HydrophobicContact CE2-CE2 3.9Å; Y86-Y97 AromaticContact CE2-CG 3.37Å; Y86-Y97 HydrophobicContact CE2-CG 3.37Å; Y86-Y97 AromaticContact CZ-CD1 3.69Å; Y86-Y97 AromaticContact CZ-CD2 3.81Å; Y86-Y97 AromaticContact CZ-CG 3.32Å; Y86-Y97 PolarHBondContact N-O 2.82Å; Y86-Y97 VanDerWaalsContact N-O 3.12Å; Y86-Y97 PolarHBondContact O-N 2.84Å; Y86-Y97 WeakPolarHBondContact OH-CD1 3.27Å; E88-Y97 HydrophobicContact CB-CD2 4.25Å; E88-Y97 HydrophobicContact CB-CE2 3.68Å; E88-Y97 PolarHBondContact OE2-OH 3.17Å; T95-Y97 HydrophobicContact CG2-CD2 4.07Å; T95-Y97 HydrophobicContact CG2-CE2 3.54Å; T95-Y97 WeakPolarHBondContact O-CD2 3.32Å; Y97-C99 PolarHBondContact O-N 2.77Å; Y97-P113 HydrophobicContact CD1-CB 3.59Å; Y97-P113 HydrophobicContact CD1-CG 3.38Å; Y97-P113 HydrophobicContact CE1-CB 3.44Å; Y97-P113 VanDerWaalsContact CE1-CB 3.44Å; Y97-P113 HydrophobicContact CE1-CG 3.41Å; Y97-P113 VanDerWaalsContact CE1-CG 3.41Å; Y97-P113 HydrophobicContact CG-CB 4.23Å; Y97-P113 HydrophobicContact CG-CG 4.35Å
98P97Very high95.4Very high23 Ų2351.6 Ų51.615%0.14931%0.312CS..EExtended strand (participates in β ladder)trans-73126.1174.730.4-34.5000110.1G100 C103 V110P98-G100 PolarHBondContact O-N 2.95Å; P98-C103 HydrophobicContact CB-CB 4.34Å; P98-V110 HydrophobicContact CG-CG1 4.1Å
99C96.3Very high95.3Very high56 Ų5653.7 Ų53.738%0.37833%0.329SS..SBendtrans-81.944.4178.5-60.50000112H84 Y97 N101H84-C99 WeakPolarHBondContact O-CB 3.43Å; H84-C99 PolarHBondContact O-N 2.86Å; Y97-C99 PolarHBondContact O-N 2.77Å; C99-N101 PolarHBondContact O-N 2.84Å; C99-N101 PolarHBondContact O-ND2 2.96Å
100G95Very high95.1Very high82 Ų8253.8 Ų53.885%0.84533%0.33SS*.SBendtrans75.23-170.600000114.5P98P98-G100 PolarHBondContact O-N 2.95Å
101N96.9Very high94.9Very high48 Ų4860.3 Ų60.326%0.25735%0.349SS..SBendtrans-95159.4-179.8-59.4-64.8000112.4A81 E83 H84 C99 C103A81-N101 WeakPolarHBondContact CB-OD1 3.31Å; E83-N101 PolarHBondContact O-ND2 3.45Å; H84-N101 WeakPolarHBondContact CA-ND2 3.13Å; H84-N101 VanDerWaalsContact CE1-CB 3.46Å; H84-N101 WeakPolarHBondContact CE1-CB 3.44Å; H84-N101 PolarHBondContact O-ND2 3.23Å; C99-N101 PolarHBondContact O-N 2.84Å; C99-N101 PolarHBondContact O-ND2 2.96Å; N101-C103 PolarHBondContact O-N 2.84Å; N101-C103 VanDerWaalsContact O-N 3.14Å
102A96.3Very high94.9Very high68 Ų6856.1 Ų56.156%0.56234%0.338SS*.  trans-68108.5179.500000111.8H84 G143H84-A102 PolarHBondContact NE2-O 2.99Å; A102-G143 PolarHBondContact O-N 3.33Å
103C97.3Very high95.2Very high3 Ų358.3 Ų58.32%0.0235%0.348CS..EExtended strand (participates in β ladder)trans-122.6141.5172.8-62.90000109.5L96 P98 N101 V110 C141 L142L96-C103 HydrophobicContact CD2-CB 4.29Å; P98-C103 HydrophobicContact CB-CB 4.34Å; N101-C103 PolarHBondContact O-N 2.84Å; N101-C103 VanDerWaalsContact O-N 3.14Å; C103-V110 HydrophobicContact CB-CB 4.22Å; C103-V110 PolarHBondContact O-N 3.1Å; C103-C141 CarbonylContact C-O 3.57Å; C103-C141 WeakPolarHBondContact CA-O 3.28Å; C103-L142 HydrophobicContact CB-CD2 4.34Å
104T95.4Very high95.3Very high39 Ų3957.5 Ų57.524%0.23934%0.343CS..EExtended strand (participates in β ladder)trans-128.8149.8167.975.60000111.5L108 L140 C141T104-L108 CarbonylContact C-O 3.57Å; T104-L108 WeakPolarHBondContact CA-O 3.46Å; T104-L108 VanDerWaalsContact CB-O 3.27Å; T104-L108 WeakPolarHBondContact CB-O 3.41Å; T104-L140 WeakPolarHBondContact O-CA 3.39Å; T104-C141 PolarHBondContact N-O 2.73Å; T104-C141 PolarHBondContact O-N 3.12Å; T104-C141 WeakPolarHBondContact OG1-CB 3.46Å
105I93.9Very high95.2Very high17 Ų1763.1 Ų63.19%0.08737%0.365CS..EExtended strand (participates in β ladder)trans-119.7121.6169.8-65.9166000106.4L96 G107 L108 V110 T114 L116 C138 M139 L140L96-I105 HydrophobicContact CD2-CD1 4.14Å; L96-I105 HydrophobicContact CD2-CG1 4.24Å; I105-G107 PolarHBondContact O-N 2.84Å; I105-G107 VanDerWaalsContact O-N 3.11Å; I105-L108 PolarHBondContact N-O 3.49Å; I105-L108 WeakPolarHBondContact O-CB 3.18Å; I105-L108 PolarHBondContact O-N 3.24Å; I105-V110 HydrophobicContact CB-CG2 4.11Å; I105-V110 HydrophobicContact CD1-CG2 3.54Å; I105-V110 HydrophobicContact CG1-CG2 3.61Å; I105-T114 HydrophobicContact CD1-CG2 3.66Å; I105-L116 HydrophobicContact CD1-CD2 3.59Å; I105-L116 HydrophobicContact CG1-CD2 4.17Å; I105-C138 HydrophobicContact CG2-CB 3.78Å; I105-M139 WeakPolarHBondContact CA-O 3.47Å; I105-L140 HydrophobicContact CG1-CD2 3.67Å
106D90.9Very high95Very high42 Ų4262 Ų6223%0.22536%0.357CS..THydrogen-bonded Turntrans51.436.4-177.8-56.9-38.2000112.4L108 E120 C138 M139D106-L108 VanDerWaalsContact C-N 3.28Å; D106-L108 PolarHBondContact O-N 3.43Å; D106-E120 HydrophobicContact CB-CG 4.23Å; D106-C138 WeakPolarHBondContact OD1-CA 3.45Å; D106-C138 VanDerWaalsContact OD2-CB 3.23Å; D106-C138 WeakPolarHBondContact OD2-CB 3.44Å; D106-M139 PolarHBondContact N-O 3.26Å; D106-M139 PolarHBondContact OD1-N 2.8Å
107G90.6Very high94.6Very high59 Ų5962.9 Ų62.961%0.60836%0.363SS*.THydrogen-bonded Turntrans82.6-9.7-178.200000115.3I105I105-G107 PolarHBondContact O-N 2.84Å; I105-G107 VanDerWaalsContact O-N 3.11Å
108L91.6Very high94Very high100 Ų10060.8 Ų60.852%0.52436%0.355SS..EExtended strand (participates in β ladder)trans-87.2132.6178.6-62177.1000111.6T104 I105 D106T104-L108 CarbonylContact C-O 3.57Å; T104-L108 WeakPolarHBondContact CA-O 3.46Å; T104-L108 VanDerWaalsContact CB-O 3.27Å; T104-L108 WeakPolarHBondContact CB-O 3.41Å; I105-L108 PolarHBondContact N-O 3.49Å; I105-L108 WeakPolarHBondContact O-CB 3.18Å; I105-L108 PolarHBondContact O-N 3.24Å; D106-L108 VanDerWaalsContact C-N 3.28Å; D106-L108 PolarHBondContact O-N 3.43Å
109P94.7Very high93.1Very high94 Ų9461.2 Ų61.261%0.6136%0.357SS*.EExtended strand (participates in β ladder)trans-67.9135.2-178.327.8-34.3000112.3
110V94.7Very high91.6Very high12 Ų1262.9 Ų62.97%0.07336%0.359CS..EExtended strand (participates in β ladder)trans-105.7113.5178-179.10000109.2L96 P98 C103 I105 Q112 T114L96-V110 HydrophobicContact CD2-CG1 4.45Å; P98-V110 HydrophobicContact CG-CG1 4.1Å; C103-V110 HydrophobicContact CB-CB 4.22Å; C103-V110 PolarHBondContact O-N 3.1Å; I105-V110 HydrophobicContact CB-CG2 4.11Å; I105-V110 HydrophobicContact CD1-CG2 3.54Å; I105-V110 HydrophobicContact CG1-CG2 3.61Å; V110-Q112 WeakPolarHBondContact CG1-O 3.46Å; V110-T114 WeakPolarHBondContact CG1-OG1 3.4Å
111R91.6Very high89.6Confident230 Ų23063.4 Ų63.487%0.86835%0.346SS*.  trans-110.4-10.4-179.7-64-168.1178.5165.51.1114.3
112Q94.4Very high87.4Confident137 Ų13763.8 Ų63.864%0.6436%0.361SS*.SBendtrans-139.1169.4-177.967.4-175.4-3.600108.8V110 T114V110-Q112 WeakPolarHBondContact CG1-O 3.46Å; Q112-T114 PolarHBondContact O-N 2.89Å; Q112-T114 PolarHBondContact O-OG1 2.74Å
113P97Very high85.2Confident73 Ų7367.9 Ų67.947%0.47437%0.373SS..  trans-55.4124.9175.8-25.136.2000111.2T95 L96 Y97T95-P113 HydrophobicContact CG2-CB 3.9Å; L96-P113 VanDerWaalsContact O-CA 3.31Å; L96-P113 WeakPolarHBondContact O-CA 3.4Å; Y97-P113 HydrophobicContact CD1-CB 3.59Å; Y97-P113 HydrophobicContact CD1-CG 3.38Å; Y97-P113 HydrophobicContact CE1-CB 3.44Å; Y97-P113 VanDerWaalsContact CE1-CB 3.44Å; Y97-P113 HydrophobicContact CE1-CG 3.41Å; Y97-P113 VanDerWaalsContact CE1-CG 3.41Å; Y97-P113 HydrophobicContact CG-CB 4.23Å; Y97-P113 HydrophobicContact CG-CG 4.35Å
114T95.9Very high82.7Confident47 Ų4775 Ų7529%0.28841%0.406SS..EExtended strand (participates in β ladder)trans-129.4127.4-175.5-63.60000110.5T95 L96 I105 V110 Q112 L116T95-T114 WeakPolarHBondContact CA-O 3.34Å; L96-T114 PolarHBondContact N-O 2.89Å; L96-T114 PolarHBondContact O-N 3.36Å; I105-T114 HydrophobicContact CD1-CG2 3.66Å; V110-T114 WeakPolarHBondContact CG1-OG1 3.4Å; Q112-T114 PolarHBondContact O-N 2.89Å; Q112-T114 PolarHBondContact O-OG1 2.74Å; T114-L116 PolarHBondContact O-N 2.87Å
115R95Very high80.3Confident118 Ų11881.1 Ų81.145%0.44543%0.431SS..EExtended strand (participates in β ladder)trans-64.4130.8175.6-175.5176.7177.2-93.8-13.7109.9T93 L94 T117 E155T93-R115 HydrophobicContact CG2-CG 4.38Å; L94-R115 CarbonylContact O-C 3.59Å; L94-R115 WeakPolarHBondContact O-CA 3.31Å; R115-T117 HydrophobicContact CG-CG2 4.43Å; R115-E155 IonicContact CZ-OE1 2.92Å; R115-E155 IonicContact NH1-OE1 3.02Å; R115-E155 PolarHBondContact NH1-OE1 3.15Å; R115-E155 IonicContact NH2-OE1 3.74Å; R115-E155 PolarHBondContact NH2-OE1 2.8Å
116L94Very high77.8Confident1 Ų188.1 Ų88.11%0.00547%0.467CS..  trans-85.1138171.5-58.9-177.2000109.9I87 L94 L96 I105 T114 L140 F150I87-L116 HydrophobicContact CD1-CD1 3.82Å; I87-L116 HydrophobicContact CG1-CD1 4.26Å; I87-L116 HydrophobicContact CG2-CD1 4.27Å; L94-L116 HydrophobicContact CB-CB 4.31Å; L94-L116 PolarHBondContact O-N 2.8Å; L96-L116 HydrophobicContact CB-CD1 4.4Å; L96-L116 HydrophobicContact CB-CD2 3.95Å; L96-L116 HydrophobicContact CB-CG 4.18Å; I105-L116 HydrophobicContact CD1-CD2 3.59Å; I105-L116 HydrophobicContact CG1-CD2 4.17Å; T114-L116 PolarHBondContact O-N 2.87Å; L116-L140 HydrophobicContact CD1-CD1 4.33Å; L116-L140 HydrophobicContact CD2-CD2 3.72Å; L116-F150 HydrophobicContact CB-CD1 3.82Å; L116-F150 HydrophobicContact CB-CE1 3.69Å; L116-F150 HydrophobicContact CB-CE2 4.44Å; L116-F150 HydrophobicContact CB-CG 4.24Å; L116-F150 HydrophobicContact CB-CZ 4.01Å; L116-F150 HydrophobicContact CD1-CD2 4.11Å; L116-F150 HydrophobicContact CD1-CE2 4.4Å; L116-F150 HydrophobicContact CD1-CG 4.24Å
117T88.9Confident75.4Confident19 Ų1989.6 Ų89.612%0.11749%0.492CS..  trans-131.5149.7-178.652.70000111.2R115 V119 E155R115-T117 HydrophobicContact CG-CG2 4.43Å; T117-V119 PolarHBondContact O-N 2.77Å; T117-V119 PolarHBondContact OG1-O 3.19Å; T117-E155 WeakPolarHBondContact CA-OE2 3.39Å
118Q86.7Confident73.3Confident9 Ų996.3 Ų96.34%0.04251%0.508CS..SBendtrans-65.2-14.6170.3-176.560.625.500112.9T135 S136 G137 H152 E155 A156Q118-T135 PolarHBondContact NE2-O 3.28Å; Q118-S136 CarbonylContact O-C 3.59Å; Q118-G137 VanDerWaalsContact O-CA 3.26Å; Q118-G137 WeakPolarHBondContact O-CA 3.36Å; Q118-G137 PolarHBondContact O-N 3.15Å; Q118-H152 HydrophobicContact CB-CB 4.24Å; Q118-E155 HydrophobicContact CB-CB 4.05Å; Q118-E155 HydrophobicContact CB-CG 4.03Å; Q118-E155 WeakPolarHBondContact CB-OE2 3.48Å; Q118-E155 PolarHBondContact N-OE2 3.36Å; Q118-A156 HydrophobicContact CG-CB 3.71Å
119V77.1Confident70.9Confident31 Ų3196.6 Ų96.619%0.18853%0.525CS..SBendtrans-104.2135.1179.4-163.70000108.8T117 T121 P134 M159T117-V119 PolarHBondContact O-N 2.77Å; T117-V119 PolarHBondContact OG1-O 3.19Å; V119-T121 PolarHBondContact O-N 2.91Å; V119-P134 HydrophobicContact CG1-CG 4.06Å; V119-M159 HydrophobicContact CB-CE 4.42Å; V119-M159 HydrophobicContact CG1-CE 4.39Å; V119-M159 HydrophobicContact CG2-CE 3.16Å; V119-M159 HydrophobicContact CG2-SD 3.07Å; V119-M159 WeakPolarHBondContact CG2-SD 3.46Å
120E64.6Low68.6Low91 Ų9195.5 Ų95.543%0.42553%0.53SS..  trans-64111.7163.8-178.9176.3-179.700109.1D106 G122 P134D106-E120 HydrophobicContact CB-CG 4.23Å; E120-G122 PolarHBondContact O-N 2.92Å; E120-G122 VanDerWaalsContact O-N 3.08Å; E120-P134 HydrophobicContact CB-CB 4.46Å
121T53.2Low66.5Low93 Ų93102.7 Ų102.757%0.57157%0.567SS**  trans-84.766.5172.655.90000109.5V119 L123V119-T121 PolarHBondContact O-N 2.91Å; T121-L123 PolarHBondContact O-N 3.2Å
122G52.6Low64.3Low56 Ų5699.4 Ų99.458%0.57756%0.562SS**  trans-70.2113.6166.600000109.6E120 H124E120-G122 PolarHBondContact O-N 2.92Å; E120-G122 VanDerWaalsContact O-N 3.08Å; G122-H124 PolarHBondContact O-N 3.24Å
123L48.6Very low62.2Low154 Ų15496.4 Ų96.481%0.80655%0.549SS*.  trans-64106.5174.6-117109.9000109.8T121T121-L123 PolarHBondContact O-N 3.2Å
124H46.1Very low60Low153 Ų15395.6 Ų95.671%0.70854%0.544SS*.SBendtrans55.1118.8149.3-69-95.5000120.4G122G122-H124 PolarHBondContact O-N 3.24Å
125H44.4Very low58.1Low167 Ų16795.5 Ų95.577%0.77354%0.544SS*.  trans81.7132.5161.4-66.969.4000116
126I41.5Very low56.7Low165 Ų16592 Ų9285%0.84654%0.538SS*.  -158.1137.254.6-4.1172.6000111.6
127G41Very low55.8Low72 Ų7292.1 Ų92.174%0.74254%0.538SS*.  trans81103.8143.800000119.2
128Q44.9Very low55.8Low201 Ų20191.2 Ų91.294%0.93953%0.533SS*.  trans44.2126.2140.6-105.817438.800121.3
129A42.6Very low56.1Low106 Ų10694.6 Ų94.688%0.87655%0.55SS*.  trans81.895.7152.400000118.1
130G46.1Very low56.9Low70 Ų7093.1 Ų93.172%0.72254%0.541SS*.  trans140.1100.1158.500000111.4Q132G130-Q132 PolarHBondContact O-N 3.06Å
131L51Low58.4Low163 Ų16389.4 Ų89.485%0.85353%0.525SS*.  trans-64.174.3169-88.6131.8000110.2L133L131-L133 HydrophobicContact CD2-CD1 4.42Å
132Q45.5Very low60.4Low162 Ų16285 Ų8576%0.75750%0.498SS*.  trans-117.786.3161.8-168.968.16700105.8G130G130-Q132 PolarHBondContact O-N 3.06Å
133L50Low62.4Low73 Ų7383.1 Ų83.138%0.38248%0.478SS..  trans-56.6134171.5-82.999000108.3L131 T135 M159L131-L133 HydrophobicContact CD2-CD1 4.42Å; L133-T135 VanDerWaalsContact C-N 3.34Å; L133-T135 PolarHBondContact O-N 3.08Å; L133-T135 PolarHBondContact O-OG1 2.95Å; L133-T135 VanDerWaalsContact O-OG1 3.1Å; L133-M159 HydrophobicContact CD2-CE 4Å
134P51.5Low64.4Low56 Ų5682.6 Ų82.636%0.36447%0.472SS..  trans-62.899.7176.925.5-31000107.5V119 E120 S136V119-P134 HydrophobicContact CG1-CG 4.06Å; E120-P134 HydrophobicContact CB-CB 4.46Å; P134-S136 PolarHBondContact O-N 3.2Å
135T54.4Low66.4Low46 Ų4678 Ų7828%0.28246%0.457SS..  trans-92.928.8173.2-28.70000109.7Q118 L133 A156Q118-T135 PolarHBondContact NE2-O 3.28Å; L133-T135 VanDerWaalsContact C-N 3.34Å; L133-T135 PolarHBondContact O-N 3.08Å; L133-T135 PolarHBondContact O-OG1 2.95Å; L133-T135 VanDerWaalsContact O-OG1 3.1Å; T135-A156 HydrophobicContact CG2-CB 4.49Å
136S65.7Low68.7Low45 Ų4570.5 Ų70.532%0.31542%0.423SS..PPolyproline II helixtrans-95.5117.2171.446.90000108.3Q118 P134Q118-S136 CarbonylContact O-C 3.59Å; P134-S136 PolarHBondContact O-N 3.2Å
137G75.1Confident71.2Confident2 Ų268.2 Ų68.22%0.02141%0.407CS..PPolyproline II helixtrans-60.1151.3169.400000111.1Q118 F150Q118-G137 VanDerWaalsContact O-CA 3.26Å; Q118-G137 WeakPolarHBondContact O-CA 3.36Å; Q118-G137 PolarHBondContact O-N 3.15Å; G137-F150 CarbonylContact C-O 3.57Å; G137-F150 VanDerWaalsContact C-O 3.3Å; G137-F150 WeakPolarHBondContact CA-O 3.35Å
138C89Confident73.7Confident1 Ų164.8 Ų64.81%0.00737%0.372CS..PPolyproline II helixtrans-64152.2-168.265.70000113I105 D106 F150I105-C138 HydrophobicContact CG2-CB 3.78Å; D106-C138 WeakPolarHBondContact OD1-CA 3.45Å; D106-C138 VanDerWaalsContact OD2-CB 3.23Å; D106-C138 WeakPolarHBondContact OD2-CB 3.44Å; C138-F150 PolarHBondContact O-N 2.75Å
139M93.1Very high76.1Confident79 Ų7959.8 Ų59.839%0.38934%0.344SS..EExtended strand (participates in β ladder)trans-95.4115.6177.3-67-58.6-57.900109.7I105 D106 F147 R149I105-M139 WeakPolarHBondContact CA-O 3.47Å; D106-M139 PolarHBondContact N-O 3.26Å; D106-M139 PolarHBondContact OD1-N 2.8Å; M139-F147 HydrophobicContact CE-CB 4.43Å; M139-R149 HydrophobicContact CE-CB 4.33Å; M139-R149 HydrophobicContact SD-CB 3.64Å; M139-R149 HydrophobicContact SD-CG 3.76Å
140L94.9Very high78.6Confident1 Ų154.7 Ų54.71%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-88.3133.1172.6-47.9-176.7000109.2L42 I87 T104 I105 L116 F147 L148L42-L140 HydrophobicContact CD2-CD1 3.8Å; I87-L140 HydrophobicContact CD1-CD1 4.3Å; T104-L140 WeakPolarHBondContact O-CA 3.39Å; I105-L140 HydrophobicContact CG1-CD2 3.67Å; L116-L140 HydrophobicContact CD1-CD1 4.33Å; L116-L140 HydrophobicContact CD2-CD2 3.72Å; L140-F147 CarbonylContact O-C 3.52Å; L140-F147 VanDerWaalsContact O-CA 3.29Å; L140-F147 WeakPolarHBondContact O-CA 3.29Å; L140-L148 HydrophobicContact CB-CB 4.31Å; L140-L148 PolarHBondContact N-O 2.93Å; L140-L148 PolarHBondContact O-N 3.33Å
141C95.1Very high80.9Confident13 Ų1352.6 Ų52.69%0.08828%0.275CS..EExtended strand (participates in β ladder)trans-115.9125.8163.2-169.10000109.3C103 T104 T146 F147C103-C141 CarbonylContact C-O 3.57Å; C103-C141 WeakPolarHBondContact CA-O 3.28Å; T104-C141 PolarHBondContact N-O 2.73Å; T104-C141 PolarHBondContact O-N 3.12Å; T104-C141 WeakPolarHBondContact OG1-CB 3.46Å; C141-T146 WeakPolarHBondContact CA-O 3.37Å; C141-F147 HydrophobicContact CB-CD1 3.86Å; C141-F147 HydrophobicContact CB-CE1 3.71Å; C141-F147 WeakPolarHBondContact SG-CE1 3.45Å
142L95.6Very high82.8Confident1 Ų145.8 Ų45.81%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-110.8136175.6-51-178000109I66 L75 L80 C103 Q144 T146 L148I66-L142 HydrophobicContact CG2-CD1 3.7Å; L75-L142 HydrophobicContact CD1-CD1 4.42Å; L80-L142 HydrophobicContact CD1-CB 3.59Å; L80-L142 HydrophobicContact CD1-CD1 4.33Å; C103-L142 HydrophobicContact CB-CD2 4.34Å; L142-Q144 PolarHBondContact O-N 3.27Å; L142-T146 PolarHBondContact N-O 3.21Å; L142-T146 WeakPolarHBondContact O-CB 3.35Å; L142-T146 PolarHBondContact O-N 3.35Å; L142-L148 HydrophobicContact CD1-CD1 4.01Å
143G93.8Very high84.9Confident16 Ų1639 Ų3917%0.16521%0.208CC..THydrogen-bonded Turntrans63.4-126.7-175.700000111.6G79 H84 A102G79-G143 WeakPolarHBondContact O-CA 3.07Å; H84-G143 PolarHBondContact CE1-N 2.94Å; H84-G143 PolarHBondContact NE2-N 2.79Å; H84-G143 VanDerWaalsContact NE2-N 3.2Å; A102-G143 PolarHBondContact O-N 3.33Å
144Q91.1Very high86.6Confident143 Ų14338 Ų3867%0.66821%0.211SC*.THydrogen-bonded Turntrans-100.6-32.5-177.3-61.8176.415.600113.4P78 L142P78-Q144 HydrophobicContact CB-CB 4.35Å; P78-Q144 HydrophobicContact CG-CB 4.2Å; P78-Q144 WeakPolarHBondContact O-CB 3.4Å; P78-Q144 PolarHBondContact O-N 2.85Å; L142-Q144 PolarHBondContact O-N 3.27Å
145S88.7Confident88.1Confident57 Ų5736.5 Ų36.540%0.39920%0.199SC..THydrogen-bonded Turntrans-155.723.6-171.274.90000114.8P78 F147P78-S145 VanDerWaalsContact CD-OG 3.32Å; P78-S145 WeakPolarHBondContact CD-OG 3.31Å; P78-S145 WeakPolarHBondContact CG-OG 3.46Å; S145-F147 WeakPolarHBondContact O-CD2 2.95Å
146T92.8Very high89.4Confident8 Ų834.7 Ų34.75%0.04919%0.188CC..EExtended strand (participates in β ladder)trans-96.4100.7176.3-60.20000109.3L75 Q76 C141 L142L75-T146 HydrophobicContact CB-CG2 4.16Å; L75-T146 HydrophobicContact CD1-CG2 3.8Å; Q76-T146 PolarHBondContact O-OG1 3.26Å; C141-T146 WeakPolarHBondContact CA-O 3.37Å; L142-T146 PolarHBondContact N-O 3.21Å; L142-T146 WeakPolarHBondContact O-CB 3.35Å; L142-T146 PolarHBondContact O-N 3.35Å
147F92.9Very high90.3Very high117 Ų11738 Ų3851%0.51320%0.197SC..EExtended strand (participates in β ladder)trans-98.3135.8-176.3-61.4-83.9000112.2M139 L140 C141 S145M139-F147 HydrophobicContact CE-CB 4.43Å; L140-F147 CarbonylContact O-C 3.52Å; L140-F147 VanDerWaalsContact O-CA 3.29Å; L140-F147 WeakPolarHBondContact O-CA 3.29Å; C141-F147 HydrophobicContact CB-CD1 3.86Å; C141-F147 HydrophobicContact CB-CE1 3.71Å; C141-F147 WeakPolarHBondContact SG-CE1 3.45Å; S145-F147 WeakPolarHBondContact O-CD2 2.95Å
148L94.8Very high90.5Very high1 Ų146 Ų461%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-134.5137.4174.9-58.4167.1000108.5L42 V43 L57 L75 L140 L142L42-L148 HydrophobicContact CB-CB 4.44Å; L42-L148 HydrophobicContact CD1-CD1 3.84Å; V43-L148 WeakPolarHBondContact O-CA 3.37Å; L57-L148 HydrophobicContact CD1-CD2 4.42Å; L75-L148 HydrophobicContact CD1-CD1 3.58Å; L75-L148 HydrophobicContact CD1-CD2 4.08Å; L75-L148 HydrophobicContact CD1-CG 4.23Å; L140-L148 HydrophobicContact CB-CB 4.31Å; L140-L148 PolarHBondContact N-O 2.93Å; L140-L148 PolarHBondContact O-N 3.33Å; L142-L148 HydrophobicContact CD1-CD1 4.01Å
149R94.8Very high89.8Confident95 Ų9547.7 Ų47.736%0.35824%0.235SC..EExtended strand (participates in β ladder)trans-94.2121.9170.7-175.4177.2179.7-161.90.3109.4L42 V43 M139L42-R149 CarbonylContact C-O 3.57Å; L42-R149 VanDerWaalsContact CA-O 3.32Å; L42-R149 WeakPolarHBondContact CA-O 3.28Å; V43-R149 HydrophobicContact CB-CB 4.15Å; V43-R149 HydrophobicContact CG2-CB 4.5Å; V43-R149 PolarHBondContact N-O 3.06Å; V43-R149 PolarHBondContact O-N 2.95Å; M139-R149 HydrophobicContact CE-CB 4.33Å; M139-R149 HydrophobicContact SD-CB 3.64Å; M139-R149 HydrophobicContact SD-CG 3.76Å
150F95.3Very high89.2Confident0 Ų050.1 Ų50.10%024%0.244CC..EExtended strand (participates in β ladder)trans-78.6139.4169.5174.1-113.3000109.9P40 L42 L59 L94 L116 G137 C138 H152P40-F150 HydrophobicContact CB-CE2 4.1Å; P40-F150 HydrophobicContact CB-CZ 4.45Å; L42-F150 HydrophobicContact CD2-CB 4.09Å; L42-F150 HydrophobicContact CD2-CD2 4.05Å; L59-F150 HydrophobicContact CD1-CD2 4.02Å; L59-F150 HydrophobicContact CD1-CE2 3.92Å; L94-F150 HydrophobicContact CB-CE2 4.41Å; L94-F150 HydrophobicContact CB-CZ 4.25Å; L94-F150 HydrophobicContact CD1-CE2 4.23Å; L94-F150 HydrophobicContact CD1-CZ 3.93Å; L94-F150 HydrophobicContact CD2-CE2 3.95Å; L94-F150 HydrophobicContact CD2-CZ 4.43Å; L94-F150 HydrophobicContact CG-CE2 4.42Å; L94-F150 HydrophobicContact CG-CZ 4.42Å; L116-F150 HydrophobicContact CB-CD1 3.82Å; L116-F150 HydrophobicContact CB-CE1 3.69Å; L116-F150 HydrophobicContact CB-CE2 4.44Å; L116-F150 HydrophobicContact CB-CG 4.24Å; L116-F150 HydrophobicContact CB-CZ 4.01Å; L116-F150 HydrophobicContact CD1-CD2 4.11Å; L116-F150 HydrophobicContact CD1-CE2 4.4Å; L116-F150 HydrophobicContact CD1-CG 4.24Å; G137-F150 CarbonylContact C-O 3.57Å; G137-F150 VanDerWaalsContact C-O 3.3Å; G137-F150 WeakPolarHBondContact CA-O 3.35Å; C138-F150 PolarHBondContact O-N 2.75Å; F150-H152 HydrophobicContact CE1-CB 3.88Å; F150-H152 HydrophobicContact CZ-CB 3.75Å
151N93.5Very high88.2Confident26 Ų2654.4 Ų54.414%0.13927%0.274CS..EExtended strand (participates in β ladder)trans-133.9132.9170.8-80.6-23.2000109.6P40 H41P40-N151 CarbonylContact C-O 3.3Å; P40-N151 VanDerWaalsContact CA-O 3.26Å; P40-N151 WeakPolarHBondContact CA-O 3.41Å; H41-N151 VanDerWaalsContact CE1-CB 3.44Å; H41-N151 WeakPolarHBondContact CE1-CB 3.46Å; H41-N151 PolarHBondContact N-O 3.48Å; H41-N151 WeakPolarHBondContact NE2-CB 3.45Å; H41-N151 PolarHBondContact NE2-ND2 2.84Å; H41-N151 VanDerWaalsContact NE2-ND2 3.17Å; H41-N151 PolarHBondContact O-N 2.84Å
152H92.3Very high87Confident19 Ų1958.7 Ų58.79%0.08829%0.293CS..  trans-121.889.6171-163.1-37.1000110.1G92 Q118 F150 A154 E155 A156G92-H152 PolarHBondContact O-NE2 3.4Å; Q118-H152 HydrophobicContact CB-CB 4.24Å; F150-H152 HydrophobicContact CE1-CB 3.88Å; F150-H152 HydrophobicContact CZ-CB 3.75Å; H152-A154 VanDerWaalsContact C-N 3.28Å; H152-A154 PolarHBondContact O-N 2.88Å; H152-E155 HydrophobicContact CB-CB 3.96Å; H152-E155 PolarHBondContact ND1-N 3.11Å; H152-E155 PolarHBondContact O-N 3.45Å; H152-A156 PolarHBondContact O-N 3.18Å
153P88.2Confident85.5Confident19 Ų1962.6 Ų62.612%0.12331%0.314CS..Hα-helixtrans-60.5-33.4-174.4-25.434.5000114.2T37 K39 A156 K157T37-P153 VanDerWaalsContact O-CB 3.24Å; T37-P153 WeakPolarHBondContact O-CB 3.48Å; T37-P153 WeakPolarHBondContact O-CG 3.12Å; K39-P153 WeakPolarHBondContact O-CD 3.22Å; P153-A156 WeakPolarHBondContact O-CB 3.27Å; P153-A156 PolarHBondContact O-N 3.48Å; P153-K157 VanDerWaalsContact O-CG 3.27Å; P153-K157 WeakPolarHBondContact O-CG 3.48Å; P153-K157 PolarHBondContact O-N 3.23Å
154A85.4Confident83.9Confident53 Ų5367 Ų6744%0.43834%0.339SS..Hα-helixtrans-70.4-44178.800000111.7H152 A156 K157 W158H152-A154 VanDerWaalsContact C-N 3.28Å; H152-A154 PolarHBondContact O-N 2.88Å; A154-A156 VanDerWaalsContact C-N 3.29Å; A154-A156 PolarHBondContact O-N 2.87Å; A154-K157 PolarHBondContact O-N 3.2Å; A154-W158 PolarHBondContact O-N 3.01Å
155E83.2Confident82.3Confident24 Ų2464.8 Ų64.811%0.11235%0.345CS..Hα-helixtrans-60.2-41.5172.1-168.6172.3-144.200110.5R115 T117 Q118 H152 K157 W158 M159R115-E155 IonicContact CZ-OE1 2.92Å; R115-E155 IonicContact NH1-OE1 3.02Å; R115-E155 PolarHBondContact NH1-OE1 3.15Å; R115-E155 IonicContact NH2-OE1 3.74Å; R115-E155 PolarHBondContact NH2-OE1 2.8Å; T117-E155 WeakPolarHBondContact CA-OE2 3.39Å; Q118-E155 HydrophobicContact CB-CB 4.05Å; Q118-E155 HydrophobicContact CB-CG 4.03Å; Q118-E155 WeakPolarHBondContact CB-OE2 3.48Å; Q118-E155 PolarHBondContact N-OE2 3.36Å; H152-E155 HydrophobicContact CB-CB 3.96Å; H152-E155 PolarHBondContact ND1-N 3.11Å; H152-E155 PolarHBondContact O-N 3.45Å; E155-K157 PolarHBondContact O-N 2.94Å; E155-W158 PolarHBondContact O-N 3.37Å; E155-M159 WeakPolarHBondContact O-CG 3.17Å; E155-M159 PolarHBondContact O-N 3.05Å
156A82Confident80.6Confident8 Ų865.3 Ų65.37%0.06636%0.36CS..Hα-helixtrans-59.8-45.5175.900000113Q118 T135 H152 P153 A154 K160Q118-A156 HydrophobicContact CG-CB 3.71Å; T135-A156 HydrophobicContact CG2-CB 4.49Å; H152-A156 PolarHBondContact O-N 3.18Å; P153-A156 WeakPolarHBondContact O-CB 3.27Å; P153-A156 PolarHBondContact O-N 3.48Å; A154-A156 VanDerWaalsContact C-N 3.29Å; A154-A156 PolarHBondContact O-N 2.87Å; A156-K160 VanDerWaalsContact O-CG 3.31Å; A156-K160 WeakPolarHBondContact O-CG 3.37Å; A156-K160 PolarHBondContact O-N 2.9Å
157K84Confident78.5Confident116 Ų11668.4 Ų68.450%0.50439%0.393SS..Hα-helixtrans-63.8-44.7178.9-74.8171.5-171.2176.50110.8P153 A154 E155 M159 K160 S161P153-K157 VanDerWaalsContact O-CG 3.27Å; P153-K157 WeakPolarHBondContact O-CG 3.48Å; P153-K157 PolarHBondContact O-N 3.23Å; A154-K157 PolarHBondContact O-N 3.2Å; E155-K157 PolarHBondContact O-N 2.94Å; K157-M159 PolarHBondContact O-N 2.86Å; K157-K160 PolarHBondContact O-N 2.88Å; K157-S161 PolarHBondContact O-N 3.44Å; K157-S161 VanDerWaalsContact O-N 3.1Å
158W80.3Confident76.4Confident168 Ų16874.5 Ų74.564%0.63641%0.413SS*.Hα-helixtrans-60-46.1178.5-176.845000111.3A154 E155 K160 S161 M162A154-W158 PolarHBondContact O-N 3.01Å; E155-W158 PolarHBondContact O-N 3.37Å; W158-K160 PolarHBondContact O-N 3Å; W158-S161 PolarHBondContact O-N 3.03Å; W158-S161 PolarHBondContact O-OG 2.87Å; W158-M162 HydrophobicContact CB-CE 4.42Å; W158-M162 HydrophobicContact CD2-CE 3.18Å; W158-M162 HydrophobicContact CE3-CE 3.7Å; W158-M162 HydrophobicContact CG-CE 3.51Å; W158-M162 HydrophobicContact CH2-CE 4.02Å; W158-M162 HydrophobicContact CZ2-CE 3.55Å; W158-M162 HydrophobicContact CZ2-SD 4.33Å; W158-M162 HydrophobicContact CZ3-CE 4.09Å; W158-M162 VanDerWaalsContact NE1-CE 3.33Å; W158-M162 WeakPolarHBondContact O-CE 3.47Å; W158-M162 PolarHBondContact O-N 3.34Å
159M74.3Confident74Confident38 Ų3878.2 Ų78.219%0.18744%0.444CS..Hα-helixtrans-61.8-44.2175.6-72.6-174.478.700113.9V119 L133 E155 K157 S161 M162V119-M159 HydrophobicContact CB-CE 4.42Å; V119-M159 HydrophobicContact CG1-CE 4.39Å; V119-M159 HydrophobicContact CG2-CE 3.16Å; V119-M159 HydrophobicContact CG2-SD 3.07Å; V119-M159 WeakPolarHBondContact CG2-SD 3.46Å; L133-M159 HydrophobicContact CD2-CE 4Å; E155-M159 WeakPolarHBondContact O-CG 3.17Å; E155-M159 PolarHBondContact O-N 3.05Å; K157-M159 PolarHBondContact O-N 2.86Å; M159-S161 PolarHBondContact O-N 3.14Å; M159-M162 PolarHBondContact O-N 3.37Å; M159-M162 VanDerWaalsContact O-N 3.11Å
160K79.2Confident71.8Confident130 Ų13079.7 Ų79.757%0.56547%0.466SS*.Hα-helixtrans-59.3-33.7176.6-74.7172.9-175.7-178.90112.2A156 K157 W158 M162A156-K160 VanDerWaalsContact O-CG 3.31Å; A156-K160 WeakPolarHBondContact O-CG 3.37Å; A156-K160 PolarHBondContact O-N 2.9Å; K157-K160 PolarHBondContact O-N 2.88Å; W158-K160 PolarHBondContact O-N 3Å; K160-M162 VanDerWaalsContact C-N 3.33Å
161S75.1Confident69.5Low91 Ų9182.5 Ų82.564%0.63649%0.494SS*.Hα-helixtrans-73.5-21.4178.474.50000114.3K157 W158 M159 I163K157-S161 PolarHBondContact O-N 3.44Å; K157-S161 VanDerWaalsContact O-N 3.1Å; W158-S161 PolarHBondContact O-N 3.03Å; W158-S161 PolarHBondContact O-OG 2.87Å; M159-S161 PolarHBondContact O-N 3.14Å; S161-I163 VanDerWaalsContact C-N 3.35Å
162M68.8Low67.6Low102 Ų10286.9 Ų86.950%0.50253%0.525SS..THydrogen-bonded Turntrans-84.3-8.3178.1-73.5-175.6-102.600113.6W158 M159 K160 P164W158-M162 HydrophobicContact CB-CE 4.42Å; W158-M162 HydrophobicContact CD2-CE 3.18Å; W158-M162 HydrophobicContact CE3-CE 3.7Å; W158-M162 HydrophobicContact CG-CE 3.51Å; W158-M162 HydrophobicContact CH2-CE 4.02Å; W158-M162 HydrophobicContact CZ2-CE 3.55Å; W158-M162 HydrophobicContact CZ2-SD 4.33Å; W158-M162 HydrophobicContact CZ3-CE 4.09Å; W158-M162 VanDerWaalsContact NE1-CE 3.33Å; W158-M162 WeakPolarHBondContact O-CE 3.47Å; W158-M162 PolarHBondContact O-N 3.34Å; M159-M162 PolarHBondContact O-N 3.37Å; M159-M162 VanDerWaalsContact O-N 3.11Å; K160-M162 VanDerWaalsContact C-N 3.33Å; M162-P164 VanDerWaalsContact O-CD 3.28Å; M162-P164 WeakPolarHBondContact O-CD 3.32Å
163I64.7Low65.5Low84 Ų8491.5 Ų91.543%0.43156%0.556SS.*SBendtrans-74.1117.3175.2-58.3172.3000107.2S161 A165S161-I163 VanDerWaalsContact C-N 3.35Å; I163-A165 PolarHBondContact O-N 3.37Å
164P60.2Low63.3Low107 Ų107101.9 Ų101.970%0.69560%0.595SS**  trans-57.4121170.6-17.430.4000107M162 G166M162-P164 VanDerWaalsContact O-CD 3.28Å; M162-P164 WeakPolarHBondContact O-CD 3.32Å; P164-G166 VanDerWaalsContact C-N 3.35Å; P164-G166 PolarHBondContact O-N 2.97Å
165A58.7Low61.3Low97 Ų97104.2 Ų104.280%0.80261%0.607SS**  trans-53.4109.8165.200000105.2I163 G167I163-A165 PolarHBondContact O-N 3.37Å; A165-G167 PolarHBondContact O-N 2.99Å
166G51.8Low59.3Low68 Ų68109 Ų10970%0.70164%0.641SS**  trans-43.6122.6-172.500000108.7P164 R168P164-G166 VanDerWaalsContact C-N 3.35Å; P164-G166 PolarHBondContact O-N 2.97Å; G166-R168 PolarHBondContact O-N 3.37Å
167G48.7Very low57.3Low73 Ų73115.2 Ų115.275%0.75368%0.677SS**  trans-48.8114.3-177.200000108.6A165 A169A165-G167 PolarHBondContact O-N 2.99Å; G167-A169 PolarHBondContact O-N 3.21Å
168R49.5Very low55.1Low245 Ų245115.2 Ų115.293%0.92569%0.69SS**  trans-63.685.6151.6-83.2-178.1178.5175-0.5104.8G166 P170G166-R168 PolarHBondContact O-N 3.37Å; R168-P170 WeakPolarHBondContact O-CD 3.39Å
169A45.2Very low53.1Low80 Ų80111.3 Ų111.366%0.66169%0.693SS**  trans-51.3125.7158.400000105.5G167 G171G167-A169 PolarHBondContact O-N 3.21Å; A169-G171 PolarHBondContact O-N 3.47Å
170P47.3Very low51.3Low126 Ų126117.8 Ų117.882%0.81872%0.723SS**  trans-55.2110.8162.7-17.429.9000105.4R168R168-P170 WeakPolarHBondContact O-CD 3.39Å
171G47.4Very low49.3Very low58 Ų58117.5 Ų117.560%0.59874%0.737SS**PPolyproline II helixtrans-53.8138.817400000108.1A169A169-G171 PolarHBondContact O-N 3.47Å
172P54.3Low47.4Very low119 Ų119121.5 Ų121.577%0.77375%0.746SS**PPolyproline II helixtrans-57.1140.9175.523.5-30.7000108.9Y174P172-Y174 PolarHBondContact O-N 3.09Å
173P47.1Very low46Very low116 Ų116122.5 Ų122.575%0.75376%0.763SS**PPolyproline II helixtrans-59.3131.8-178.422.6-30.6000109.9S175P173-S175 PolarHBondContact O-N 3.48Å
174Y41.7Very low44.8Very low237 Ų237125.9 Ų125.993%0.92978%0.781SS**  trans-40.5119.1172.7-101.4-101.1000110.8P172P172-Y174 PolarHBondContact O-N 3.09Å
175S43Very low43.7Very low101 Ų101127.1 Ų127.171%0.70679%0.786SS**  trans-104.7129.1164.8-57.50000107.7P173P173-S175 PolarHBondContact O-N 3.48Å
176P42.3Very low42.6Very low125 Ų125128.6 Ų128.681%0.81278%0.781SS**PPolyproline II helixtrans-71.7129.9179.9-6.221.4000110.3
177V39.2Very low41.6Very low138 Ų138128.3 Ų128.384%0.83678%0.778SS**PPolyproline II helixtrans-77.2127.1170.5176.90000108.9
178P39.5Very low40.9Very low117 Ų117130 Ų13076%0.7677%0.769SS**PPolyproline II helixtrans-84.8142.9160.92.317.1000110.2
179A37.3Very low40.5Very low86 Ų86125.5 Ų125.571%0.71176%0.759SS**PPolyproline II helixtrans-73.7160.1-178.900000113.4
180E36.1Very low40.1Very low173 Ų173127.9 Ų127.981%0.80877%0.765SS**  trans72.9122.4156.9-56.3-170.3120.500119.8
181S37.7Very low39.9Very low125 Ų125127.3 Ų127.387%0.87476%0.761SS**  -161.8111.9123.5-79.60000109.9
182E35.9Very low39.1Very low175 Ų175134.2 Ų134.282%0.81878%0.778SS**  trans-66.8139.3163.6-54.3-175.8107.600109.5
183S38.7Very low38Very low123 Ų123135.1 Ų135.186%0.8678%0.782SS**  trans-138.4107.715776.50000109.8
184L38.4Very low37.3Very low154 Ų154133.7 Ų133.781%0.80678%0.779SS**  trans-75.8168.5174.6-74161.8000112.5
185V38.8Very low36.9Very low134 Ų134129.1 Ų129.181%0.81278%0.777SS**  trans97.7136.6148.3112.10000115.8
186N34.3Very low36.4Very low128 Ų128136.4 Ų136.468%0.68479%0.788SS**  cis-167.2155.63.6-164.318.6000111.5
187G32.1Very low35.9Very low62 Ų62133.9 Ų133.964%0.63979%0.785SS**  trans120131.3135.300000116.4
188N34.1Very low36.1Very low107 Ų107133.4 Ų133.457%0.57279%0.785SS**  cis-174.5140-10.3-123.1-3.7000109.1
189H40.8Very low36Very low151 Ų151133 Ų13370%0.69979%0.785SS**  trans65137.9151.1-52.4-44.3000120.8
190T35.6Very low36Very low130 Ų130133.7 Ų133.780%0.79879%0.791SS**  cis-163164.88.315.70000110.5
191P44Very low35.9Very low114 Ų114131.1 Ų131.174%0.7479%0.79SS**  trans-104147.8-168.837-28000114.3
192Q31Very low36Very low204 Ų204130 Ų13095%0.95379%0.788SS**  trans-146.8148.5159.3-81.2-161.2-3.800113.7
193T30.4Very low36.1Very low138 Ų138126.1 Ų126.185%0.84778%0.781SS**  trans-109147-159.7-5.70000113
194A32.4Very low36.4Very low85 Ų85128.8 Ų128.870%0.70278%0.779SS**  trans56.7123.7142.500000122.4
195T33Very low36.6Very low142 Ų142126.6 Ų126.687%0.87178%0.777SS**  -174.7116.3115.97.70000115.1
196R32.7Very low36.7Very low253 Ų253125.7 Ų125.796%0.95578%0.777SS**  32119.4125.5-153.3177.2177.3179.2-2121.5
197G32.3Very low37.3Very low72 Ų72127.8 Ų127.874%0.74279%0.787SS**  trans151.5151.1147.600000117.2
198P43.6Very low37.5Very low129 Ų129131.1 Ų131.184%0.83880%0.795SS**  trans-120.2174.5-139.841-28.7000118.1
199S36.8Very low38.1Very low109 Ų109134.7 Ų134.776%0.76283%0.828SS**  trans64.4121.1149.7-161.80000120.8
200A37.1Very low37.9Very low100 Ų100133.9 Ų133.983%0.82684%0.835SS**  trans-151.9112.3139.700000110.6
201C34.4Very low38Very low118 Ų118134.1 Ų134.180%0.79784%0.837SS**  trans-63143161.3-55.80000110.4
202A39Very low37.7Very low101 Ų101135.2 Ų135.284%0.83584%0.842SS**  trans-159.2100145.900000110.2
203S38.6Very low38.1Very low95 Ų95131.2 Ų131.266%0.66484%0.836SS**  trans-66.2152158.1-53.30000110.4
204H45.1Very low38.6Very low178 Ų178130.8 Ų130.882%0.82484%0.835SS**  164.1109.4114.8-88.1-75.8000112.8
205S43.2Very low39Very low109 Ų109133.8 Ų133.876%0.76284%0.844SS**  27.7136.1127-45.20000123.2
206S40Very low39.4Very low115 Ų115133.2 Ų133.280%0.80484%0.842SS**  168.9117118.7410000108.9
207L46.3Very low40Very low171 Ų171124 Ų12490%0.89583%0.833SS**  66.5144.480.8-87177.9000116.6
208V37Very low40.6Very low132 Ų132128.3 Ų128.380%0.884%0.841SS**  trans92125.5167.8-164.80000113.7
209S46Very low40.3Very low183 Ų183128.3 Ų128.3100%1.2884%0.841SS**  cis-151014.6-137.60000111.5

Retrieved 209 of 209 residues in 44.3 ms (Link to these results)