A0A096LP34_HUMAN Loading...

Peptidyl-tRNA hydrolase 1 homolog

AlphaFold DB , UniProt , Accession A0A096LP34, Species HUMAN (Homo sapiens, Human), Gene PTRH1, Length 137 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
1M41.1Very low34.8Very low249 Ų249139.9 Ų139.9100%1.22785%0.847SS**  0109.20-87.4166.6163.600109.4
2R44.6Very low34.4Very low243 Ų243149.7 Ų149.792%0.91786%0.857SS**  trans-120.7142.3159.6-80.8-174.9165-176.4-3.6105.7
3P41.5Very low34.6Very low139 Ų139148.7 Ų148.790%0.90385%0.846SS**  -143.5178.391.829.1-7.8000110.8
4G31.3Very low34.5Very low74 Ų74146.4 Ų146.476%0.76384%0.844SS**  cis174.1140.47.600000105.8
5G30.2Very low34.6Very low71 Ų71152.2 Ų152.273%0.73285%0.846SS**  117.5103.5104.300000109.8
6F31.2Very low34.7Very low195 Ų195148.4 Ų148.486%0.85584%0.841SS**  68.8109.1102.2-97.1-102.8000117
7L31.6Very low35Very low152 Ų152149.2 Ų149.280%0.79684%0.838SS**  trans43.4125136.5-76.4110.6000122.1
8G31.4Very low34.8Very low77 Ų77146.4 Ų146.479%0.79483%0.83SS**  81.787.911900000118.1G10G8-G10 PolarHBondContact O-N 3.42Å
9A31.9Very low34.8Very low113 Ų113151.4 Ų151.493%0.93483%0.834SS**  trans-95.974.9161.100000110.1
10G27.9Very low35Very low60 Ų60147.6 Ų147.662%0.61982%0.818SS**  trans-72.3147.6161.500000111.1G8G8-G10 PolarHBondContact O-N 3.42Å
11Q40.3Very low35.2Very low166 Ų166146.4 Ų146.478%0.77682%0.815SS**  trans57.995.3151.6-55-176.843.600117.6
12R30.2Very low35.6Very low257 Ų257139.1 Ų139.197%0.9778%0.78SS**  trans-92.790149.3-70.2-173.2-155.2-116.61.9108.6S14R12-S14 PolarHBondContact O-N 3.17Å
13L36.2Very low35.5Very low137 Ų137135.6 Ų135.672%0.71777%0.774SS**  trans-57113.1167.3-74.3153.4000109.5R15L13-R15 VanDerWaalsContact C-N 3.3Å; L13-R15 PolarHBondContact O-N 3.46Å
14S33.6Very low35.6Very low116 Ų116134.7 Ų134.781%0.81177%0.768SS**  trans-71.390.4166.556.40000109.1R12 A16R12-S14 PolarHBondContact O-N 3.17Å; S14-A16 PolarHBondContact O-N 3.48Å
15R35.6Very low36.6Very low234 Ų234135.7 Ų135.788%0.88375%0.749SS**THydrogen-bonded Turntrans-78.948.7-171.8-151.1178.6-171.3-173.62.8113L13L13-R15 VanDerWaalsContact C-N 3.3Å; L13-R15 PolarHBondContact O-N 3.46Å
16A37.2Very low37.3Very low92 Ų92136 Ų13676%0.7674%0.738SS**THydrogen-bonded Turntrans-105.4-6.4-178.300000114.9S14S14-A16 PolarHBondContact O-N 3.48Å
17M40.1Very low38Very low161 Ų161133.1 Ų133.179%0.79374%0.739SS**SBendtrans-119.73.8-171.2-67.4-74.9-90.200114.6
18S31Very low38.8Very low100 Ų100129.9 Ų129.970%0.69974%0.743SS**SBendtrans-107.422.4-163.7-59.10000116.5
19R34.8Very low39.3Very low240 Ų240133.9 Ų133.991%0.90674%0.738SS**  trans-13922.8-179.6-118.1-176178.2-151.3-1.2117.3V21R19-V21 VanDerWaalsContact C-N 3.32Å
20C37.7Very low39.9Very low75 Ų75139.8 Ų139.851%0.50774%0.736SS.*  trans-94.275.6150.6-88.20000107.7L22 R37C20-L22 VanDerWaalsContact C-N 3.26Å; C20-L22 PolarHBondContact O-N 2.96Å; C20-R37 PolarHBondContact SG-NH2 2.63Å
21V39.1Very low41Very low123 Ų123142.1 Ų142.175%0.74573%0.727SS**  trans-67.8101.7156.2176.50000104.2R19 E23R19-V21 VanDerWaalsContact C-N 3.32Å; V21-E23 VanDerWaalsContact C-N 3.35Å; V21-E23 PolarHBondContact O-N 3.32Å
22L49.8Very low40.7Very low97 Ų97142.3 Ų142.351%0.50873%0.729SS.*  trans-66.398.3170.3-68.6145.4000106.1C20 L115C20-L22 VanDerWaalsContact C-N 3.26Å; C20-L22 PolarHBondContact O-N 2.96Å; L22-L115 WeakPolarHBondContact CD1-O 3.07Å
23E42.7Very low41.1Very low168 Ų168137.5 Ų137.579%0.78572%0.716SS**PPolyproline II helixtrans-64.9132.4167.3-73.9-172.4154.400108.5V21V21-E23 VanDerWaalsContact C-N 3.35Å; V21-E23 PolarHBondContact O-N 3.32Å
24P44.4Very low41.8Very low121 Ų121133.8 Ų133.879%0.78670%0.7SS**PPolyproline II helixtrans-65.1137.4-179.924.8-31.7000110.7P26P24-P26 WeakPolarHBondContact O-CD 3.49Å
25R51.3Low42.8Very low94 Ų94136.2 Ų136.236%0.35569%0.691SS.*PPolyproline II helixtrans-59.9124.3179.5-173.5178.3-176.8137.10.4110.9K29 W31 E122R25-K29 PolarHBondContact NH2-O 3.16Å; R25-W31 HydrophobicContact CG-CZ2 4.32Å; R25-E122 IonicContact NH1-OE2 3.78Å
26P45Very low43.9Very low78 Ų78127.6 Ų127.651%0.50667%0.666SS.*PPolyproline II helixtrans-69.7139.6170.326-30.7000110.4P24P24-P26 WeakPolarHBondContact O-CD 3.49Å
27P46.3Very low45.8Very low134 Ų134124.4 Ų124.487%0.8764%0.635SS**THydrogen-bonded Turntrans-64136.8-177.623-31000111.8
28G48Very low48.2Very low85 Ų85118 Ų11888%0.87661%0.605SS**THydrogen-bonded Turntrans92.18.2165.900000118.1
29K42.6Very low51.2Low161 Ų161113.2 Ų113.270%0.757%0.572SS**  trans-118.2134.1174.6-55.3-154.5-179.2-168.60113R25R25-K29 PolarHBondContact NH2-O 3.16Å
30R43.4Very low54.2Low236 Ų236102.7 Ų102.789%0.89153%0.534SS*.  trans-88.3119.8167.2-170167.4177.6171.7-1.6106.4M32R30-M32 PolarHBondContact O-N 2.9Å
31W51.4Low57Low109 Ų10999.1 Ų99.141%0.41351%0.51SS..  trans-52.4132.5-172.8-64.496.8000112.1R25R25-W31 HydrophobicContact CG-CZ2 4.32Å
32M35Very low59.8Low170 Ų17093.3 Ų93.384%0.83748%0.475SS*.  trans-105.4100.5158.3-78.1172.558.600106.2R30R30-M32 PolarHBondContact O-N 2.9Å
33F38.3Very low62.1Low157 Ų15789.9 Ų89.969%0.68946%0.457SS*.SBendtrans67157.3175-60.4-88.3000118.5
34P50.7Low64.6Low59 Ų5981.9 Ų81.938%0.38342%0.419SS..SBendcis-99.915.7-46.116.66.7000112.2C36 D90P34-C36 PolarHBondContact O-N 2.64Å; P34-D90 HydrophobicContact CB-CB 3.79Å; P34-D90 WeakPolarHBondContact CB-O 3.3Å
35W54.5Low67.1Low166 Ų16677.2 Ų77.263%0.62939%0.388SS*.  trans-91.69.2-164.9-56.197.6000116.7R37W35-R37 PolarHBondContact O-N 2.96Å; W35-R37 VanDerWaalsContact O-N 3.16Å
36C58.9Low69.1Low53 Ų5375.3 Ų75.336%0.35839%0.388SS..  trans-65.5119.7175.6-84.60000109.3P34 P38 A91P34-C36 PolarHBondContact O-N 2.64Å; C36-P38 VanDerWaalsContact O-CD 3.25Å; C36-P38 WeakPolarHBondContact O-CD 3.46Å; C36-A91 WeakPolarHBondContact O-CB 3.41Å
37R77.8Confident71.5Confident26 Ų2675.1 Ų75.110%0.09840%0.4CS..  trans-112.479176.2-63.8-165.2-172.6-1671110.8C20 W35 Q39 Q92 V94 L118C20-R37 PolarHBondContact SG-NH2 2.63Å; W35-R37 PolarHBondContact O-N 2.96Å; W35-R37 VanDerWaalsContact O-N 3.16Å; R37-Q39 PolarHBondContact O-N 3.15Å; R37-Q92 WeakPolarHBondContact CA-O 3.49Å; R37-Q92 VanDerWaalsContact CB-O 3.27Å; R37-Q92 WeakPolarHBondContact CB-O 3.44Å; R37-Q92 HydrophobicContact CG-CB 4.11Å; R37-Q92 WeakPolarHBondContact CG-O 3.3Å; R37-Q92 VanDerWaalsContact NH1-OE1 3.08Å; R37-V94 HydrophobicContact CB-CG2 4.19Å; R37-L118 HydrophobicContact CB-CD2 4.13Å; R37-L118 WeakPolarHBondContact O-CD1 3.37Å; R37-L118 WeakPolarHBondContact O-CD2 3.49Å
38P89.3Confident73.8Confident25 Ų2572.9 Ų72.916%0.16238%0.381CS..  trans-56142.3175.824.7-32.4000109.6C36 L88 L93 V94 E122 Y124C36-P38 VanDerWaalsContact O-CD 3.25Å; C36-P38 WeakPolarHBondContact O-CD 3.46Å; P38-L88 HydrophobicContact CG-CD2 4.12Å; P38-L93 HydrophobicContact CB-CD1 4.25Å; P38-L93 HydrophobicContact CG-CD1 3.91Å; P38-L93 WeakPolarHBondContact O-CD1 3.28Å; P38-V94 PolarHBondContact O-N 3.36Å; P38-E122 CarbonylContact C-O 3.53Å; P38-E122 VanDerWaalsContact CA-O 3.29Å; P38-E122 WeakPolarHBondContact CA-O 3.47Å; P38-Y124 HydrophobicContact CB-CD2 4.37Å; P38-Y124 HydrophobicContact CB-CE2 4.02Å
39Q93.9Very high75.9Confident0 Ų074.3 Ų74.30%037%0.374CS..EExtended strand (participates in β ladder)trans-105.2132174.4167.5175.479.200109.2R37 V94 L96 L118 E122 V123 Y124R37-Q39 PolarHBondContact O-N 3.15Å; Q39-V94 CarbonylContact C-O 3.59Å; Q39-V94 VanDerWaalsContact CA-O 3.32Å; Q39-V94 WeakPolarHBondContact CA-O 3.49Å; Q39-V94 HydrophobicContact CB-CB 4.32Å; Q39-L96 HydrophobicContact CG-CB 4.48Å; Q39-L96 VanDerWaalsContact NE2-CD1 3.31Å; Q39-L118 HydrophobicContact CB-CD1 3.41Å; Q39-L118 VanDerWaalsContact CB-CD1 3.41Å; Q39-E122 PolarHBondContact N-O 2.83Å; Q39-V123 HydrophobicContact CB-CG2 4.38Å; Q39-V123 HydrophobicContact CG-CG1 4.48Å; Q39-Y124 PolarHBondContact O-N 3.09Å
40V97.6Very high78.3Confident20 Ų2070.8 Ų70.812%0.12138%0.383CS..EExtended strand (participates in β ladder)trans-116.3114.4169.6-179.60000107.9L60 L63 L93 V94 L95 L96 Y124 V126V40-L60 HydrophobicContact CB-CD1 4.49Å; V40-L60 HydrophobicContact CG1-CD1 4.1Å; V40-L60 HydrophobicContact CG1-CD2 3.94Å; V40-L63 HydrophobicContact CG1-CD2 4.32Å; V40-L93 HydrophobicContact CB-CD1 4.48Å; V40-L93 HydrophobicContact CG2-CD1 3.66Å; V40-V94 PolarHBondContact N-O 3.04Å; V40-L95 HydrophobicContact CB-CD2 4.22Å; V40-L96 PolarHBondContact O-N 3.26Å; V40-Y124 CarbonylContact C-O 3.54Å; V40-Y124 WeakPolarHBondContact CA-O 3.45Å; V40-V126 HydrophobicContact CG1-CG2 3.89Å
41A97.6Very high80.7Confident0 Ų062.3 Ų62.30%036%0.358CS..EExtended strand (participates in β ladder)trans-105.3122.5-179.700000111.1L43 L96 V109 Y124 L125 V126A41-L43 HydrophobicContact CB-CD2 4.49Å; A41-L96 WeakPolarHBondContact CA-O 3.35Å; A41-L96 HydrophobicContact CB-CB 4.25Å; A41-L96 HydrophobicContact CB-CD2 3.93Å; A41-V109 HydrophobicContact CB-CG2 3.79Å; A41-Y124 PolarHBondContact N-O 2.99Å; A41-L125 HydrophobicContact CB-CD2 3.85Å; A41-V126 PolarHBondContact O-N 2.81Å
42G97.4Very high82.7Confident0 Ų066.4 Ų66.40%037%0.373CS..EExtended strand (participates in β ladder)trans-90.3106.5172.800000110.2G56 M57 L96 P98G42-G56 VanDerWaalsContact CA-C 3.47Å; G42-G56 WeakPolarHBondContact CA-O 3.36Å; G42-M57 WeakPolarHBondContact O-CG 3.15Å; G42-L96 PolarHBondContact N-O 3.32Å; G42-P98 VanDerWaalsContact O-CD 3.22Å; G42-P98 WeakPolarHBondContact O-CD 3.2Å
43L97.4Very high85.5Confident25 Ų2562.3 Ų62.313%0.13135%0.352CS..  trans-73.4147.7179-53.3-165.5000110.4A41 G56 M57 M102 N105 V109 L125 V126 H127A41-L43 HydrophobicContact CB-CD2 4.49Å; L43-G56 CarbonylContact O-C 3.58Å; L43-G56 VanDerWaalsContact O-CA 3.29Å; L43-G56 WeakPolarHBondContact O-CA 3.25Å; L43-G56 PolarHBondContact O-N 3.03Å; L43-M57 PolarHBondContact O-N 3.28Å; L43-M57 VanDerWaalsContact O-N 3.15Å; L43-M102 HydrophobicContact CB-CE 3.96Å; L43-M102 HydrophobicContact CB-SD 3.77Å; L43-N105 HydrophobicContact CD2-CB 4.06Å; L43-V109 HydrophobicContact CD2-CG2 4.24Å; L43-L125 HydrophobicContact CD2-CD2 4.43Å; L43-V126 PolarHBondContact N-O 3.43Å; L43-H127 HydrophobicContact CB-CB 4.06Å; L43-H127 HydrophobicContact CD1-CB 3.97Å; L43-H127 HydrophobicContact CG-CB 4.2Å
44G96.6Very high88.2Confident0 Ų055 Ų550%032%0.321CS..  trans170.1-179.6-177.700000113.8H53 M57 N105G44-H53 VanDerWaalsContact CA-O 3.27Å; G44-H53 WeakPolarHBondContact CA-O 3.48Å; G44-M57 VanDerWaalsContact C-CE 3.41Å; G44-M57 WeakPolarHBondContact O-CE 3.5Å; G44-N105 PolarHBondContact N-ND2 3.48Å; G44-N105 VanDerWaalsContact N-ND2 3.14Å; G44-N105 PolarHBondContact O-ND2 3.21Å
45N96.9Very high90.4Very high23 Ų2355.1 Ų55.112%0.12332%0.32CS..  trans-108.1120.8173.4-76.6-50.6000110.1G47 L48 S54 L101 M102N45-G47 PolarHBondContact O-N 2.84Å; N45-L48 HydrophobicContact CB-CB 3.92Å; N45-L48 HydrophobicContact CB-CD1 3.82Å; N45-L48 HydrophobicContact CB-CG 4.2Å; N45-L48 PolarHBondContact O-N 2.82Å; N45-L48 VanDerWaalsContact O-N 3.16Å; N45-S54 PolarHBondContact N-OG 2.95Å; N45-S54 VanDerWaalsContact N-OG 3.16Å; N45-S54 PolarHBondContact O-OG 3.18Å; N45-L101 WeakPolarHBondContact OD1-CA 3.14Å; N45-M102 WeakPolarHBondContact OD1-CB 3.38Å; N45-M102 PolarHBondContact OD1-N 2.76Å
46P93.1Very high92.4Very high54 Ų5447.2 Ų47.235%0.35129%0.29SS..THydrogen-bonded Turntrans-56.6135.8169.9-21.831.5000110.6L48 M57 R99 R100P46-L48 PolarHBondContact O-N 3.38Å; P46-M57 HydrophobicContact CG-CE 4.35Å; P46-R99 VanDerWaalsContact CG-C 3.47Å; P46-R100 WeakPolarHBondContact CD-O 3.22Å; P46-R100 WeakPolarHBondContact CG-O 3.44Å
47G93.8Very high94.2Very high75 Ų7546.1 Ų46.177%0.77328%0.28SS*.THydrogen-bonded Turntrans78.7-1.5-179.200000115.1N45 P49N45-G47 PolarHBondContact O-N 2.84Å; G47-P49 WeakPolarHBondContact O-CD 3.46Å
48L95.1Very high95.1Very high87 Ų8747.7 Ų47.746%0.45530%0.299SS..  trans-120.259.5175-60.9177.7000112N45 P46 T51 S54N45-L48 HydrophobicContact CB-CB 3.92Å; N45-L48 HydrophobicContact CB-CD1 3.82Å; N45-L48 HydrophobicContact CB-CG 4.2Å; N45-L48 PolarHBondContact O-N 2.82Å; N45-L48 VanDerWaalsContact O-N 3.16Å; P46-L48 PolarHBondContact O-N 3.38Å; L48-T51 HydrophobicContact CB-CG2 4.19Å; L48-T51 PolarHBondContact O-OG1 3.22Å; L48-T51 VanDerWaalsContact O-OG1 3.09Å; L48-S54 VanDerWaalsContact O-CB 3.22Å; L48-S54 WeakPolarHBondContact O-CB 3.29Å; L48-S54 PolarHBondContact O-OG 2.94Å
49P93.6Very high95.5Very high114 Ų11449.6 Ų49.674%0.7431%0.31SS*.THydrogen-bonded Turntrans-65.2152.6175.631.4-35.7000111.1G47 T51G47-P49 WeakPolarHBondContact O-CD 3.46Å; P49-T51 PolarHBondContact O-N 2.89Å
50G92.4Very high95.7Very high87 Ų8749.6 Ų49.690%0.89731%0.31SS*.THydrogen-bonded Turntrans79.5-4.9176.100000115.6
51T94.4Very high95.7Very high59 Ų5949.5 Ų49.536%0.36231%0.313SS..SBendtrans-79.1153.5170.266.20000110.9L48 P49 H53 S54L48-T51 HydrophobicContact CB-CG2 4.19Å; L48-T51 PolarHBondContact O-OG1 3.22Å; L48-T51 VanDerWaalsContact O-OG1 3.09Å; P49-T51 PolarHBondContact O-N 2.89Å; T51-H53 VanDerWaalsContact C-N 3.28Å; T51-H53 PolarHBondContact O-N 2.88Å; T51-S54 PolarHBondContact O-N 3.04Å; T51-S54 PolarHBondContact OG1-N 3.06Å; T51-S54 PolarHBondContact OG1-OG 2.79Å
52R92.1Very high95.7Very high194 Ų19454 Ų5473%0.73233%0.334SS*.G310 helixtrans-53.6-45.8176.2-72-170.4-71.8-104.12.6111.7S54 V55 D128R52-S54 PolarHBondContact O-N 3.33Å; R52-S54 VanDerWaalsContact O-N 3.15Å; R52-V55 VanDerWaalsContact O-CB 3.29Å; R52-V55 WeakPolarHBondContact O-CB 3.32Å; R52-V55 VanDerWaalsContact O-CG1 3.28Å; R52-V55 WeakPolarHBondContact O-CG1 3.46Å; R52-V55 PolarHBondContact O-N 2.94Å; R52-D128 WeakPolarHBondContact O-CB 2.92Å
53H93.4Very high95.7Very high84 Ų8456.5 Ų56.539%0.38935%0.347SS..G310 helixtrans-59.8-27.4177.1-76.421000113.6G44 T51 V55 M102 D128G44-H53 VanDerWaalsContact CA-O 3.27Å; G44-H53 WeakPolarHBondContact CA-O 3.48Å; T51-H53 VanDerWaalsContact C-N 3.28Å; T51-H53 PolarHBondContact O-N 2.88Å; H53-V55 VanDerWaalsContact C-N 3.33Å; H53-M102 HydrophobicContact CB-CE 3.86Å; H53-M102 WeakPolarHBondContact O-CE 3.32Å; H53-D128 WeakPolarHBondContact CA-OD1 3.48Å; H53-D128 IonicContact CE1-OD2 3.86Å; H53-D128 IonicContact CG-OD2 3.8Å; H53-D128 PolarHBondContact N-OD2 2.81Å; H53-D128 IonicContact ND1-OD1 2.99Å; H53-D128 IonicContact ND1-OD2 3.94Å; H53-D128 PolarHBondContact ND1-OD2 3.49Å
54S96.3Very high95.7Very high5 Ų555.3 Ų55.34%0.03534%0.341CS..G310 helixtrans-91.310.4179.4-650000113.8N45 L48 T51 R52 G56 M57 A58N45-S54 PolarHBondContact N-OG 2.95Å; N45-S54 VanDerWaalsContact N-OG 3.16Å; N45-S54 PolarHBondContact O-OG 3.18Å; L48-S54 VanDerWaalsContact O-CB 3.22Å; L48-S54 WeakPolarHBondContact O-CB 3.29Å; L48-S54 PolarHBondContact O-OG 2.94Å; T51-S54 PolarHBondContact O-N 3.04Å; T51-S54 PolarHBondContact OG1-N 3.06Å; T51-S54 PolarHBondContact OG1-OG 2.79Å; R52-S54 PolarHBondContact O-N 3.33Å; R52-S54 VanDerWaalsContact O-N 3.15Å; S54-G56 VanDerWaalsContact C-N 3.27Å; S54-G56 PolarHBondContact O-N 3.43Å; S54-M57 PolarHBondContact O-N 3.09Å; S54-A58 PolarHBondContact O-N 3.41Å
55V95.9Very high95.8Very high60 Ų6063 Ų6336%0.36437%0.37SS..Hα-helixtrans-60.5-37.2179.973.30000112R52 H53 M57 A58 V59 D128R52-V55 VanDerWaalsContact O-CB 3.29Å; R52-V55 WeakPolarHBondContact O-CB 3.32Å; R52-V55 VanDerWaalsContact O-CG1 3.28Å; R52-V55 WeakPolarHBondContact O-CG1 3.46Å; R52-V55 PolarHBondContact O-N 2.94Å; H53-V55 VanDerWaalsContact C-N 3.33Å; V55-M57 PolarHBondContact O-N 3.12Å; V55-A58 WeakPolarHBondContact O-CB 2.97Å; V55-A58 PolarHBondContact O-N 3.34Å; V55-A58 VanDerWaalsContact O-N 3.09Å; V55-V59 HydrophobicContact CG2-CG2 4.46Å; V55-V59 WeakPolarHBondContact O-CG2 3.43Å; V55-V59 PolarHBondContact O-N 3.17Å; V55-D128 HydrophobicContact CG1-CB 3.7Å
56G97.1Very high95.8Very high0 Ų072 Ų720%040%0.402CS..Hα-helixtrans-58.8-46.1177.700000112G42 L43 S54 A58 V59 L60 V126G42-G56 VanDerWaalsContact CA-C 3.47Å; G42-G56 WeakPolarHBondContact CA-O 3.36Å; L43-G56 CarbonylContact O-C 3.58Å; L43-G56 VanDerWaalsContact O-CA 3.29Å; L43-G56 WeakPolarHBondContact O-CA 3.25Å; L43-G56 PolarHBondContact O-N 3.03Å; S54-G56 VanDerWaalsContact C-N 3.27Å; S54-G56 PolarHBondContact O-N 3.43Å; G56-A58 VanDerWaalsContact C-N 3.31Å; G56-A58 PolarHBondContact O-N 2.89Å; G56-V59 PolarHBondContact O-N 3.4Å; G56-L60 WeakPolarHBondContact O-CD2 3.27Å; G56-L60 PolarHBondContact O-N 2.83Å; G56-V126 VanDerWaalsContact CA-O 3.31Å; G56-V126 WeakPolarHBondContact CA-O 3.34Å
57M97.3Very high96Very high30 Ų3071.9 Ų71.915%0.14840%0.398CS..Hα-helixtrans-62.2-36.9174.9-69-177.7174.800112.9G42 L43 G44 P46 S54 V55 L60 G61 P98G42-M57 WeakPolarHBondContact O-CG 3.15Å; L43-M57 PolarHBondContact O-N 3.28Å; L43-M57 VanDerWaalsContact O-N 3.15Å; G44-M57 VanDerWaalsContact C-CE 3.41Å; G44-M57 WeakPolarHBondContact O-CE 3.5Å; P46-M57 HydrophobicContact CG-CE 4.35Å; S54-M57 PolarHBondContact O-N 3.09Å; V55-M57 PolarHBondContact O-N 3.12Å; M57-L60 PolarHBondContact O-N 3.41Å; M57-G61 PolarHBondContact O-N 3.31Å; M57-P98 WeakPolarHBondContact CE-O 3.38Å
58A96.9Very high96.1Very high59 Ų5971.4 Ų71.449%0.48839%0.393SS..Hα-helixtrans-66.5-43.2176.600000111.8S54 V55 G56 G61 Q62S54-A58 PolarHBondContact O-N 3.41Å; V55-A58 WeakPolarHBondContact O-CB 2.97Å; V55-A58 PolarHBondContact O-N 3.34Å; V55-A58 VanDerWaalsContact O-N 3.09Å; G56-A58 VanDerWaalsContact C-N 3.31Å; G56-A58 PolarHBondContact O-N 2.89Å; A58-G61 PolarHBondContact O-N 3.15Å; A58-Q62 PolarHBondContact O-N 2.87Å; A58-Q62 VanDerWaalsContact O-N 3.07Å
59V97.5Very high96.3Very high65 Ų6567.9 Ų67.939%0.39438%0.375SS..Hα-helixtrans-60-46.4174.7172.60000110.7V55 G56 G61 Q62 L63 V126V55-V59 HydrophobicContact CG2-CG2 4.46Å; V55-V59 WeakPolarHBondContact O-CG2 3.43Å; V55-V59 PolarHBondContact O-N 3.17Å; G56-V59 PolarHBondContact O-N 3.4Å; V59-G61 VanDerWaalsContact C-N 3.29Å; V59-G61 PolarHBondContact O-N 2.85Å; V59-Q62 PolarHBondContact O-N 2.95Å; V59-Q62 VanDerWaalsContact O-N 3.13Å; V59-L63 WeakPolarHBondContact O-CB 3.45Å; V59-L63 PolarHBondContact O-N 3.04Å; V59-V126 HydrophobicContact CB-CG1 3.94Å; V59-V126 HydrophobicContact CG1-CG1 3.91Å; V59-V126 HydrophobicContact CG2-CG1 4.16Å
60L97.5Very high96.4Very high0 Ų063.8 Ų63.80%035%0.351CS..Hα-helixtrans-60.9-37.4176.5-95.2-69.8000112.6V40 G56 M57 L63 A64 W73 L95 R97 V126V40-L60 HydrophobicContact CB-CD1 4.49Å; V40-L60 HydrophobicContact CG1-CD1 4.1Å; V40-L60 HydrophobicContact CG1-CD2 3.94Å; G56-L60 WeakPolarHBondContact O-CD2 3.27Å; G56-L60 PolarHBondContact O-N 2.83Å; M57-L60 PolarHBondContact O-N 3.41Å; L60-L63 HydrophobicContact CD1-CD2 4.5Å; L60-L63 PolarHBondContact O-N 2.98Å; L60-A64 WeakPolarHBondContact O-CB 3.42Å; L60-A64 PolarHBondContact O-N 2.82Å; L60-W73 HydrophobicContact CB-CH2 4.48Å; L60-W73 HydrophobicContact CD1-CH2 4.42Å; L60-L95 HydrophobicContact CD1-CB 3.86Å; L60-L95 HydrophobicContact CD1-CD2 3.71Å; L60-L95 HydrophobicContact CD1-CG 4.23Å; L60-R97 HydrophobicContact CB-CG 4.24Å; L60-V126 HydrophobicContact CD2-CB 4.13Å; L60-V126 HydrophobicContact CD2-CG2 3.93Å
61G97.3Very high96.7Very high18 Ų1868.4 Ų68.419%0.18635%0.35CS..Hα-helixtrans-61.1-43.417300000112.7M57 A58 V59 R65M57-G61 PolarHBondContact O-N 3.31Å; A58-G61 PolarHBondContact O-N 3.15Å; V59-G61 VanDerWaalsContact C-N 3.29Å; V59-G61 PolarHBondContact O-N 2.85Å; G61-R65 WeakPolarHBondContact O-CG 3.39Å; G61-R65 PolarHBondContact O-N 2.91Å
62Q98.1Very high96.8Very high96 Ų9668.4 Ų68.445%0.44935%0.352SS..Hα-helixtrans-69.4-39.9175.7-67.5-62.2-25.700112.4A58 V59 R65 R66A58-Q62 PolarHBondContact O-N 2.87Å; A58-Q62 VanDerWaalsContact O-N 3.07Å; V59-Q62 PolarHBondContact O-N 2.95Å; V59-Q62 VanDerWaalsContact O-N 3.13Å; Q62-R65 PolarHBondContact O-N 3.14Å; Q62-R66 WeakPolarHBondContact O-CG 3.1Å; Q62-R66 PolarHBondContact O-N 3.31Å
63L97.6Very high97Very high52 Ų5261.4 Ų61.427%0.27233%0.326SS..Hα-helixtrans-61.5-46.3176.8-177.958.2000111.1V40 V59 L60 R65 R66 L67 L95V40-L63 HydrophobicContact CG1-CD2 4.32Å; V59-L63 WeakPolarHBondContact O-CB 3.45Å; V59-L63 PolarHBondContact O-N 3.04Å; L60-L63 HydrophobicContact CD1-CD2 4.5Å; L60-L63 PolarHBondContact O-N 2.98Å; L63-R65 VanDerWaalsContact C-N 3.29Å; L63-R65 PolarHBondContact O-N 3.49Å; L63-R66 PolarHBondContact O-N 2.9Å; L63-L67 HydrophobicContact CD1-CD1 3.8Å; L63-L67 HydrophobicContact CD1-CG 4.1Å; L63-L67 HydrophobicContact CG-CD1 3.79Å; L63-L67 HydrophobicContact CG-CG 4.46Å; L63-L67 WeakPolarHBondContact O-CB 3.31Å; L63-L67 VanDerWaalsContact O-CG 3.31Å; L63-L67 WeakPolarHBondContact O-CG 3.41Å; L63-L67 PolarHBondContact O-N 2.81Å; L63-L95 HydrophobicContact CD2-CD2 3.8Å; L63-L95 HydrophobicContact CG-CD2 4.32Å
64A97.7Very high97.2Very high0 Ų061.1 Ų61.10%033%0.33CS..Hα-helixtrans-58.9-38.8176.300000112.6L60 L67 G68 V69 A70 W73 L95L60-A64 WeakPolarHBondContact O-CB 3.42Å; L60-A64 PolarHBondContact O-N 2.82Å; A64-L67 PolarHBondContact O-N 2.83Å; A64-G68 PolarHBondContact O-N 3.02Å; A64-G68 VanDerWaalsContact O-N 3.15Å; A64-V69 HydrophobicContact CB-CG2 4.12Å; A64-V69 PolarHBondContact O-N 3.13Å; A64-A70 PolarHBondContact O-N 3.27Å; A64-W73 HydrophobicContact CB-CZ2 3.82Å; A64-L95 HydrophobicContact CB-CD1 3.77Å
65R98Very high97.3Very high160 Ų16069 Ų6960%0.60436%0.358SS*.Hα-helixtrans-63.8-47174.3-71173.5-173.6178.11.2112.1G61 Q62 L63 L67 G68 A70G61-R65 WeakPolarHBondContact O-CG 3.39Å; G61-R65 PolarHBondContact O-N 2.91Å; Q62-R65 PolarHBondContact O-N 3.14Å; L63-R65 VanDerWaalsContact C-N 3.29Å; L63-R65 PolarHBondContact O-N 3.49Å; R65-L67 PolarHBondContact O-N 3.27Å; R65-G68 PolarHBondContact O-N 3.41Å; R65-G68 VanDerWaalsContact O-N 3.09Å; R65-A70 HydrophobicContact CB-CB 4.38Å; R65-A70 HydrophobicContact CG-CB 3.64Å
66R97.4Very high97.4Very high212 Ų21268 Ų6880%0.835%0.352SS*.Hα-helixtrans-63.1-31.9178.4-70.3-179.7-178-171.30.1112.6Q62 L63 G68Q62-R66 WeakPolarHBondContact O-CG 3.1Å; Q62-R66 PolarHBondContact O-N 3.31Å; L63-R66 PolarHBondContact O-N 2.9Å; R66-G68 VanDerWaalsContact C-N 3.32Å
67L96.3Very high97.3Very high53 Ų5377.8 Ų77.828%0.27739%0.388SS..THydrogen-bonded Turntrans-86.20.8177.2-64.9173.1000113.6L63 A64 R65 V69 A86 L93 L95L63-L67 HydrophobicContact CD1-CD1 3.8Å; L63-L67 HydrophobicContact CD1-CG 4.1Å; L63-L67 HydrophobicContact CG-CD1 3.79Å; L63-L67 HydrophobicContact CG-CG 4.46Å; L63-L67 WeakPolarHBondContact O-CB 3.31Å; L63-L67 VanDerWaalsContact O-CG 3.31Å; L63-L67 WeakPolarHBondContact O-CG 3.41Å; L63-L67 PolarHBondContact O-N 2.81Å; A64-L67 PolarHBondContact O-N 2.83Å; R65-L67 PolarHBondContact O-N 3.27Å; L67-V69 VanDerWaalsContact C-N 3.31Å; L67-V69 HydrophobicContact CB-CG2 4.15Å; L67-V69 PolarHBondContact O-N 3.07Å; L67-A86 HydrophobicContact CB-CB 3.97Å; L67-A86 HydrophobicContact CD1-CB 3.72Å; L67-A86 HydrophobicContact CG-CB 4.36Å; L67-L93 HydrophobicContact CD1-CD2 3.66Å; L67-L95 HydrophobicContact CD1-CD1 4.35Å
68G97.2Very high97.3Very high65 Ų6581.2 Ų81.267%0.6740%0.404SS*.THydrogen-bonded Turntrans72.318.2178.100000115.2A64 R65 R66A64-G68 PolarHBondContact O-N 3.02Å; A64-G68 VanDerWaalsContact O-N 3.15Å; R65-G68 PolarHBondContact O-N 3.41Å; R65-G68 VanDerWaalsContact O-N 3.09Å; R66-G68 VanDerWaalsContact C-N 3.32Å
69V97.8Very high97.3Very high12 Ų1278.5 Ų78.57%0.07338%0.381CS..  trans-119.220.4-175.7-59.60000113.2A64 L67 E71 S72 A84 L85 A86 L95A64-V69 HydrophobicContact CB-CG2 4.12Å; A64-V69 PolarHBondContact O-N 3.13Å; L67-V69 VanDerWaalsContact C-N 3.31Å; L67-V69 HydrophobicContact CB-CG2 4.15Å; L67-V69 PolarHBondContact O-N 3.07Å; V69-E71 PolarHBondContact O-N 3.37Å; V69-S72 WeakPolarHBondContact O-CB 3.37Å; V69-S72 PolarHBondContact O-N 3Å; V69-A84 HydrophobicContact CG2-CB 4.39Å; V69-L85 WeakPolarHBondContact CG1-O 3.37Å; V69-A86 HydrophobicContact CG1-CB 4.14Å; V69-A86 HydrophobicContact CG2-CB 3.96Å; V69-L95 HydrophobicContact CG2-CD1 4.06Å
70A97Very high97.3Very high29 Ų2976.5 Ų76.524%0.2437%0.371CS..THydrogen-bonded Turntrans-60.8-27.8-177.700000114A64 R65A64-A70 PolarHBondContact O-N 3.27Å; R65-A70 HydrophobicContact CB-CB 4.38Å; R65-A70 HydrophobicContact CG-CB 3.64Å
71E97.6Very high97.3Very high184 Ų18476.5 Ų76.586%0.8637%0.371SS*.THydrogen-bonded Turntrans-94.40.2178.1-56.3-51.2131.600112.7V69V69-E71 PolarHBondContact O-N 3.37Å
72S96.2Very high97.4Very high59 Ų5977.2 Ų77.241%0.41337%0.371SS..  trans-95.57.9-172.9-49.30000113.7V69 T74V69-S72 WeakPolarHBondContact O-CB 3.37Å; V69-S72 PolarHBondContact O-N 3Å; S72-T74 PolarHBondContact O-N 3.3Å
73W97.7Very high97.4Very high47 Ų4773.5 Ų73.518%0.17835%0.354CS..  trans-65.7121.7178.5-69100.4000111.2L60 A64 D82 L83 A84 L95 R97L60-W73 HydrophobicContact CB-CH2 4.48Å; L60-W73 HydrophobicContact CD1-CH2 4.42Å; A64-W73 HydrophobicContact CB-CZ2 3.82Å; W73-D82 HydrophobicContact CE3-CB 3.98Å; W73-D82 VanDerWaalsContact CZ3-O 3.31Å; W73-D82 WeakPolarHBondContact CZ3-O 3.37Å; W73-L83 CarbonylContact C-O 3.58Å; W73-L83 WeakPolarHBondContact CA-O 3.46Å; W73-A84 HydrophobicContact CD2-CB 3.78Å; W73-A84 HydrophobicContact CE3-CB 3.85Å; W73-A84 HydrophobicContact CG-CB 4.26Å; W73-A84 HydrophobicContact CH2-CB 4.44Å; W73-A84 HydrophobicContact CZ2-CB 4.41Å; W73-A84 HydrophobicContact CZ3-CB 4.18Å; W73-L95 HydrophobicContact CH2-CB 3.67Å; W73-L95 HydrophobicContact CZ2-CB 4.36Å; W73-L95 HydrophobicContact CZ2-CD1 4.47Å; W73-L95 HydrophobicContact CZ3-CB 4.14Å; W73-R97 HydrophobicContact CH2-CG 3.61Å; W73-R97 HydrophobicContact CZ2-CG 4.34Å; W73-R97 HydrophobicContact CZ3-CB 4.19Å; W73-R97 HydrophobicContact CZ3-CG 3.77Å
74T97.7Very high97.4Very high77 Ų7771.1 Ų71.147%0.47234%0.342SS..EExtended strand (participates in β ladder)trans-118.8133.6176.6-580000109.7S72 D76 D82 L83S72-T74 PolarHBondContact O-N 3.3Å; T74-D76 PolarHBondContact O-N 3.23Å; T74-D82 WeakPolarHBondContact O-CA 2.98Å; T74-L83 PolarHBondContact N-O 2.9Å; T74-L83 PolarHBondContact O-N 3.44Å
75R97.8Very high97.2Very high170 Ų17074.5 Ų74.564%0.64236%0.36SS*.EExtended strand (participates in β ladder)trans-70.8123174.4-176.7-174.1-177.2-179.5-1.9109.9D82 R99R75-D82 WeakPolarHBondContact CA-OD1 3.44Å; R75-R99 VanDerWaalsContact CD-NH1 3.32Å
76D97.3Very high97Very high41 Ų4167 Ų6722%0.21933%0.331CS..EExtended strand (participates in β ladder)trans-107.5121.7170.4-174.3-79.3000110.7T74 H78 C79 A80 A81 L83T74-D76 PolarHBondContact O-N 3.23Å; D76-H78 WeakPolarHBondContact OD1-CA 3.39Å; D76-H78 VanDerWaalsContact OD1-CB 3.32Å; D76-H78 WeakPolarHBondContact OD1-CB 3.16Å; D76-H78 PolarHBondContact OD1-N 3.04Å; D76-H78 IonicContact OD2-CD2 3.74Å; D76-C79 PolarHBondContact OD1-N 3.26Å; D76-C79 PolarHBondContact OD1-SG 2.96Å; D76-A80 VanDerWaalsContact O-CA 3.32Å; D76-A80 WeakPolarHBondContact O-CA 3.4Å; D76-A80 PolarHBondContact O-N 2.96Å; D76-A80 VanDerWaalsContact O-N 3.09Å; D76-A81 PolarHBondContact N-O 3.5Å; D76-A81 PolarHBondContact O-N 3.47Å; D76-A81 VanDerWaalsContact O-N 3.13Å; D76-L83 HydrophobicContact CB-CD1 3.68Å; D76-L83 HydrophobicContact CB-CG 4.11Å
77R96.7Very high96.7Very high204 Ų20461.3 Ų61.377%0.7732%0.322SS*.THydrogen-bonded Turntrans-79.3-23.4-178.864.9179.9178.2-179.8-1.7113.4
78H95.7Very high96.3Very high103 Ų10362.8 Ų62.848%0.47733%0.33SS..THydrogen-bonded Turntrans-74.4-39.6-175-63.3-77.7000110.8D76 R111 L115D76-H78 WeakPolarHBondContact OD1-CA 3.39Å; D76-H78 VanDerWaalsContact OD1-CB 3.32Å; D76-H78 WeakPolarHBondContact OD1-CB 3.16Å; D76-H78 PolarHBondContact OD1-N 3.04Å; D76-H78 IonicContact OD2-CD2 3.74Å; H78-R111 WeakPolarHBondContact O-CG 3.42Å; H78-L115 HydrophobicContact CB-CD1 3.83Å; H78-L115 HydrophobicContact CB-CD2 4.45Å
79C96.7Very high95.7Very high2 Ų263.4 Ų63.41%0.01434%0.336CS..THydrogen-bonded Turntrans-99.2-1.4172.162.70000113.9D76 A81 S108 R111 A112 L115D76-C79 PolarHBondContact OD1-N 3.26Å; D76-C79 PolarHBondContact OD1-SG 2.96Å; C79-A81 VanDerWaalsContact C-N 3.33Å; C79-A81 PolarHBondContact O-N 2.97Å; C79-S108 WeakPolarHBondContact O-CA 3.47Å; C79-S108 WeakPolarHBondContact O-CB 3.45Å; C79-S108 PolarHBondContact O-OG 3.43Å; C79-R111 HydrophobicContact CB-CB 4.12Å; C79-R111 HydrophobicContact CB-CG 4.1Å; C79-A112 HydrophobicContact CB-CB 3.87Å; C79-L115 HydrophobicContact CB-CD1 4.01Å
80A98Very high94.9Very high22 Ų2269 Ų6918%0.18237%0.366CS..THydrogen-bonded Turntrans51.551.4-177.200000112D76 R99 R100 S108D76-A80 VanDerWaalsContact O-CA 3.32Å; D76-A80 WeakPolarHBondContact O-CA 3.4Å; D76-A80 PolarHBondContact O-N 2.96Å; D76-A80 VanDerWaalsContact O-N 3.09Å; A80-R99 WeakPolarHBondContact O-CA 3.19Å; A80-R99 WeakPolarHBondContact O-CB 3.18Å; A80-R99 PolarHBondContact O-N 3.31Å; A80-R100 HydrophobicContact CB-CG 4.44Å; A80-S108 PolarHBondContact O-OG 3.13Å
81A98.2Very high94.3Very high0 Ų068.7 Ų68.70%036%0.363CS..EExtended strand (participates in β ladder)trans-141.1161.3-17800000110.6D76 C79 L83 L96 R97D76-A81 PolarHBondContact N-O 3.5Å; D76-A81 PolarHBondContact O-N 3.47Å; D76-A81 VanDerWaalsContact O-N 3.13Å; C79-A81 VanDerWaalsContact C-N 3.33Å; C79-A81 PolarHBondContact O-N 2.97Å; A81-L83 HydrophobicContact CB-CD2 4.29Å; A81-L96 HydrophobicContact CB-CD1 4.16Å; A81-L96 HydrophobicContact CB-CD2 4.13Å; A81-L96 HydrophobicContact CB-CG 3.86Å; A81-R97 CarbonylContact C-O 3.57Å; A81-R97 VanDerWaalsContact CA-O 3.25Å; A81-R97 WeakPolarHBondContact CA-O 3.29Å; A81-R97 VanDerWaalsContact CB-O 3.32Å; A81-R97 WeakPolarHBondContact CB-O 3.41Å
82D98.3Very high94Very high34 Ų3463.4 Ų63.418%0.18234%0.338CS..EExtended strand (participates in β ladder)trans-91.9133.1160.3-58.4-47.2000108W73 T74 R75 R97 R99W73-D82 HydrophobicContact CE3-CB 3.98Å; W73-D82 VanDerWaalsContact CZ3-O 3.31Å; W73-D82 WeakPolarHBondContact CZ3-O 3.37Å; T74-D82 WeakPolarHBondContact O-CA 2.98Å; R75-D82 WeakPolarHBondContact CA-OD1 3.44Å; D82-R97 PolarHBondContact N-O 2.9Å; D82-R97 PolarHBondContact O-N 3.11Å; D82-R99 WeakPolarHBondContact OD1-CD 3.42Å; D82-R99 IonicContact OD1-CZ 3.92Å; D82-R99 IonicContact OD1-NH1 3.97Å; D82-R99 PolarHBondContact OD1-NH1 3.09Å; D82-R99 IonicContact OD2-NH1 2.73Å
83L98.1Very high93.9Very high18 Ų1861.2 Ų61.29%0.09432%0.322CS..EExtended strand (participates in β ladder)trans-119.4142.9-176.9-59.3179.1000110.8W73 T74 D76 A81 V94 L95 L96 F116W73-L83 CarbonylContact C-O 3.58Å; W73-L83 WeakPolarHBondContact CA-O 3.46Å; T74-L83 PolarHBondContact N-O 2.9Å; T74-L83 PolarHBondContact O-N 3.44Å; D76-L83 HydrophobicContact CB-CD1 3.68Å; D76-L83 HydrophobicContact CB-CG 4.11Å; A81-L83 HydrophobicContact CB-CD2 4.29Å; L83-V94 HydrophobicContact CD2-CG1 4.37Å; L83-L95 VanDerWaalsContact CA-O 3.3Å; L83-L95 WeakPolarHBondContact CA-O 3.31Å; L83-L96 HydrophobicContact CD2-CB 3.88Å; L83-L96 HydrophobicContact CD2-CD1 3.71Å; L83-L96 HydrophobicContact CD2-CG 3.71Å; L83-F116 HydrophobicContact CD1-CE2 3.93Å; L83-F116 HydrophobicContact CD1-CZ 4.02Å
84A97.3Very high93.9Very high2 Ų259 Ų592%0.01731%0.314CS..EExtended strand (participates in β ladder)trans-133.5142.4165.900000109.2V69 W73 L95V69-A84 HydrophobicContact CG2-CB 4.39Å; W73-A84 HydrophobicContact CD2-CB 3.78Å; W73-A84 HydrophobicContact CE3-CB 3.85Å; W73-A84 HydrophobicContact CG-CB 4.26Å; W73-A84 HydrophobicContact CH2-CB 4.44Å; W73-A84 HydrophobicContact CZ2-CB 4.41Å; W73-A84 HydrophobicContact CZ3-CB 4.18Å; A84-L95 HydrophobicContact CB-CB 4.26Å; A84-L95 HydrophobicContact CB-CD1 4.46Å; A84-L95 PolarHBondContact N-O 3.06Å; A84-L95 WeakPolarHBondContact O-CB 3.29Å; A84-L95 PolarHBondContact O-N 3.09Å
85L95.1Very high93.9Very high71 Ų7155.3 Ų55.337%0.37229%0.291SS..EExtended strand (participates in β ladder)trans-105.5129.1176.4-62.2-179.8000109V69 L93 V94V69-L85 WeakPolarHBondContact CG1-O 3.37Å; L85-L93 WeakPolarHBondContact CA-O 3.43Å; L85-V94 HydrophobicContact CD2-CB 4.32Å; L85-V94 HydrophobicContact CD2-CG1 4.4Å; L85-V94 HydrophobicContact CD2-CG2 3.77Å
86A94.2Very high94Very high1 Ų147.2 Ų47.21%0.00826%0.261CS..EExtended strand (participates in β ladder)trans-119.6141.2175.300000111.1L67 V69 Q92 L93L67-A86 HydrophobicContact CB-CB 3.97Å; L67-A86 HydrophobicContact CD1-CB 3.72Å; L67-A86 HydrophobicContact CG-CB 4.36Å; V69-A86 HydrophobicContact CG1-CB 4.14Å; V69-A86 HydrophobicContact CG2-CB 3.96Å; A86-Q92 CarbonylContact O-C 3.52Å; A86-Q92 WeakPolarHBondContact O-CA 3.29Å; A86-L93 HydrophobicContact CB-CB 4.3Å; A86-L93 PolarHBondContact N-O 3.15Å; A86-L93 PolarHBondContact O-N 2.88Å
87P90.5Very high94Very high93 Ų9348.4 Ų48.460%0.60426%0.262SS*.EExtended strand (participates in β ladder)trans-66.6139.3170.628.6-32.6000110.4
88L86.9Confident94.1Very high85 Ų8538.8 Ų38.845%0.44523%0.226SC..EExtended strand (participates in β ladder)trans-140.184.5177.3-175.665.6000109.5P38 D90 A91 L93P38-L88 HydrophobicContact CG-CD2 4.12Å; L88-D90 PolarHBondContact O-N 3.38Å; L88-A91 PolarHBondContact N-O 2.73Å; L88-A91 WeakPolarHBondContact O-CA 3.5Å; L88-A91 WeakPolarHBondContact O-CB 3.44Å; L88-A91 PolarHBondContact O-N 2.96Å; L88-L93 HydrophobicContact CB-CB 4.3Å; L88-L93 HydrophobicContact CD2-CB 4.44Å
89G85.7Confident94.1Very high77 Ų7739 Ų3979%0.79422%0.222SC*.THydrogen-bonded Turntrans59.4-126.8-168.300000110.1A91G89-A91 VanDerWaalsContact C-N 3.26Å; G89-A91 PolarHBondContact O-N 3.21Å
90D80.6Confident94.1Very high130 Ų13044 Ų4470%0.69524%0.241SC*.THydrogen-bonded Turntrans-82.2-2.8175.5-57.3-39.2000113.5P34 L88P34-D90 HydrophobicContact CB-CB 3.79Å; P34-D90 WeakPolarHBondContact CB-O 3.3Å; L88-D90 PolarHBondContact O-N 3.38Å
91A85.4Confident94Very high23 Ų2348 Ų4819%0.1926%0.259CS..EExtended strand (participates in β ladder)trans-101.2170.7-178.600000112.9C36 L88 G89C36-A91 WeakPolarHBondContact O-CB 3.41Å; L88-A91 PolarHBondContact N-O 2.73Å; L88-A91 WeakPolarHBondContact O-CA 3.5Å; L88-A91 WeakPolarHBondContact O-CB 3.44Å; L88-A91 PolarHBondContact O-N 2.96Å; G89-A91 VanDerWaalsContact C-N 3.26Å; G89-A91 PolarHBondContact O-N 3.21Å
92Q90Very high93.8Very high72 Ų7249.9 Ų49.934%0.33627%0.268SS..EExtended strand (participates in β ladder)trans-118.8121.1169.7-78-162.4-3000111.4R37 A86R37-Q92 WeakPolarHBondContact CA-O 3.49Å; R37-Q92 VanDerWaalsContact CB-O 3.27Å; R37-Q92 WeakPolarHBondContact CB-O 3.44Å; R37-Q92 HydrophobicContact CG-CB 4.11Å; R37-Q92 WeakPolarHBondContact CG-O 3.3Å; R37-Q92 VanDerWaalsContact NH1-OE1 3.08Å; A86-Q92 CarbonylContact O-C 3.52Å; A86-Q92 WeakPolarHBondContact O-CA 3.29Å
93L95.2Very high93.7Very high14 Ų1455.3 Ų55.37%0.07330%0.297CS..EExtended strand (participates in β ladder)trans-81.5129.1173.3-178.767.5000110.5P38 V40 L67 L85 A86 L88 L95P38-L93 HydrophobicContact CB-CD1 4.25Å; P38-L93 HydrophobicContact CG-CD1 3.91Å; P38-L93 WeakPolarHBondContact O-CD1 3.28Å; V40-L93 HydrophobicContact CB-CD1 4.48Å; V40-L93 HydrophobicContact CG2-CD1 3.66Å; L67-L93 HydrophobicContact CD1-CD2 3.66Å; L85-L93 WeakPolarHBondContact CA-O 3.43Å; A86-L93 HydrophobicContact CB-CB 4.3Å; A86-L93 PolarHBondContact N-O 3.15Å; A86-L93 PolarHBondContact O-N 2.88Å; L88-L93 HydrophobicContact CB-CB 4.3Å; L88-L93 HydrophobicContact CD2-CB 4.44Å; L93-L95 HydrophobicContact CD2-CD2 3.63Å; L93-L95 HydrophobicContact CG-CD2 3.86Å
94V96.9Very high93.6Very high0 Ų055.6 Ų55.60%030%0.302CS..EExtended strand (participates in β ladder)trans-95.4110.9172.4-176.60000109.1R37 P38 Q39 V40 L83 L85 F116R37-V94 HydrophobicContact CB-CG2 4.19Å; P38-V94 PolarHBondContact O-N 3.36Å; Q39-V94 CarbonylContact C-O 3.59Å; Q39-V94 VanDerWaalsContact CA-O 3.32Å; Q39-V94 WeakPolarHBondContact CA-O 3.49Å; Q39-V94 HydrophobicContact CB-CB 4.32Å; V40-V94 PolarHBondContact N-O 3.04Å; L83-V94 HydrophobicContact CD2-CG1 4.37Å; L85-V94 HydrophobicContact CD2-CB 4.32Å; L85-V94 HydrophobicContact CD2-CG1 4.4Å; L85-V94 HydrophobicContact CD2-CG2 3.77Å; V94-F116 HydrophobicContact CG1-CD2 3.99Å; V94-F116 HydrophobicContact CG1-CE2 3.62Å; V94-F116 HydrophobicContact CG1-CZ 4.06Å; V94-F116 HydrophobicContact CG2-CD1 4.11Å; V94-F116 HydrophobicContact CG2-CD2 4.14Å; V94-F116 HydrophobicContact CG2-CE1 4.19Å; V94-F116 HydrophobicContact CG2-CE2 4.25Å; V94-F116 HydrophobicContact CG2-CG 4.09Å; V94-F116 HydrophobicContact CG2-CZ 4.28Å
95L98.2Very high93.7Very high0 Ų055.6 Ų55.60%030%0.301CS..EExtended strand (participates in β ladder)trans-88.6130.2169.8-55.8-176.3000109.2V40 L60 L63 A64 L67 V69 W73 L83 A84 L93V40-L95 HydrophobicContact CB-CD2 4.22Å; L60-L95 HydrophobicContact CD1-CB 3.86Å; L60-L95 HydrophobicContact CD1-CD2 3.71Å; L60-L95 HydrophobicContact CD1-CG 4.23Å; L63-L95 HydrophobicContact CD2-CD2 3.8Å; L63-L95 HydrophobicContact CG-CD2 4.32Å; A64-L95 HydrophobicContact CB-CD1 3.77Å; L67-L95 HydrophobicContact CD1-CD1 4.35Å; V69-L95 HydrophobicContact CG2-CD1 4.06Å; W73-L95 HydrophobicContact CH2-CB 3.67Å; W73-L95 HydrophobicContact CZ2-CB 4.36Å; W73-L95 HydrophobicContact CZ2-CD1 4.47Å; W73-L95 HydrophobicContact CZ3-CB 4.14Å; L83-L95 VanDerWaalsContact CA-O 3.3Å; L83-L95 WeakPolarHBondContact CA-O 3.31Å; A84-L95 HydrophobicContact CB-CB 4.26Å; A84-L95 HydrophobicContact CB-CD1 4.46Å; A84-L95 PolarHBondContact N-O 3.06Å; A84-L95 WeakPolarHBondContact O-CB 3.29Å; A84-L95 PolarHBondContact O-N 3.09Å; L93-L95 HydrophobicContact CD2-CD2 3.63Å; L93-L95 HydrophobicContact CG-CD2 3.86Å
96L98.3Very high93.8Very high0 Ų054.7 Ų54.70%031%0.31CS..EExtended strand (participates in β ladder)trans-127.4130.9-177.2-175.5150.7000111.7Q39 V40 A41 G42 A81 L83 P98 V109 A112Q39-L96 HydrophobicContact CG-CB 4.48Å; Q39-L96 VanDerWaalsContact NE2-CD1 3.31Å; V40-L96 PolarHBondContact O-N 3.26Å; A41-L96 WeakPolarHBondContact CA-O 3.35Å; A41-L96 HydrophobicContact CB-CB 4.25Å; A41-L96 HydrophobicContact CB-CD2 3.93Å; G42-L96 PolarHBondContact N-O 3.32Å; A81-L96 HydrophobicContact CB-CD1 4.16Å; A81-L96 HydrophobicContact CB-CD2 4.13Å; A81-L96 HydrophobicContact CB-CG 3.86Å; L83-L96 HydrophobicContact CD2-CB 3.88Å; L83-L96 HydrophobicContact CD2-CD1 3.71Å; L83-L96 HydrophobicContact CD2-CG 3.71Å; L96-P98 HydrophobicContact CD2-CG 3.69Å; L96-V109 HydrophobicContact CD2-CG2 4.25Å; L96-A112 HydrophobicContact CD1-CB 3.14Å
97R98.3Very high93.9Very high65 Ų6563.6 Ų63.625%0.24534%0.343CS..EExtended strand (participates in β ladder)trans-121.5109.6168.6-70.4-176-63.3166.14.3109.7L60 W73 A81 D82L60-R97 HydrophobicContact CB-CG 4.24Å; W73-R97 HydrophobicContact CH2-CG 3.61Å; W73-R97 HydrophobicContact CZ2-CG 4.34Å; W73-R97 HydrophobicContact CZ3-CB 4.19Å; W73-R97 HydrophobicContact CZ3-CG 3.77Å; A81-R97 CarbonylContact C-O 3.57Å; A81-R97 VanDerWaalsContact CA-O 3.25Å; A81-R97 WeakPolarHBondContact CA-O 3.29Å; A81-R97 VanDerWaalsContact CB-O 3.32Å; A81-R97 WeakPolarHBondContact CB-O 3.41Å; D82-R97 PolarHBondContact N-O 2.9Å; D82-R97 PolarHBondContact O-N 3.11Å
98P98Very high94.3Very high2 Ų259.2 Ų59.21%0.01331%0.314CS..EExtended strand (participates in β ladder)trans-60.2143.6179.2-23.235.7000111.6G42 M57 L96 R100 N105G42-P98 VanDerWaalsContact O-CD 3.22Å; G42-P98 WeakPolarHBondContact O-CD 3.2Å; M57-P98 WeakPolarHBondContact CE-O 3.38Å; L96-P98 HydrophobicContact CD2-CG 3.69Å; P98-R100 VanDerWaalsContact C-N 3.34Å; P98-N105 HydrophobicContact CB-CB 4.11Å; P98-N105 WeakPolarHBondContact CB-OD1 3.33Å; P98-N105 HydrophobicContact CG-CB 3.9Å
99R97.3Very high94.8Very high108 Ų10855.9 Ų55.941%0.40830%0.298SS..SBendtrans-102.428.6171.8-64.1-178.469.11352112P46 R75 A80 D82P46-R99 VanDerWaalsContact CG-C 3.47Å; R75-R99 VanDerWaalsContact CD-NH1 3.32Å; A80-R99 WeakPolarHBondContact O-CA 3.19Å; A80-R99 WeakPolarHBondContact O-CB 3.18Å; A80-R99 PolarHBondContact O-N 3.31Å; D82-R99 WeakPolarHBondContact OD1-CD 3.42Å; D82-R99 IonicContact OD1-CZ 3.92Å; D82-R99 IonicContact OD1-NH1 3.97Å; D82-R99 PolarHBondContact OD1-NH1 3.09Å; D82-R99 IonicContact OD2-NH1 2.73Å
100R95.6Very high95.4Very high108 Ų10854.6 Ų54.641%0.40828%0.28SS..SBendtrans-118.4162.3177.2-63.8-174.4177.5-82.8-1109.5P46 A80 P98 A104 N105P46-R100 WeakPolarHBondContact CD-O 3.22Å; P46-R100 WeakPolarHBondContact CG-O 3.44Å; A80-R100 HydrophobicContact CB-CG 4.44Å; P98-R100 VanDerWaalsContact C-N 3.34Å; R100-A104 HydrophobicContact CB-CB 4.07Å; R100-N105 PolarHBondContact O-OD1 2.89Å
101L96.5Very high96.2Very high105 Ų10553.4 Ų53.455%0.5527%0.266SS..  trans-63.6154.1169.6-63.4178.6000110.1N45 N103 A104 N105N45-L101 WeakPolarHBondContact OD1-CA 3.14Å; L101-N103 WeakPolarHBondContact CB-OD1 3.35Å; L101-N103 PolarHBondContact O-N 3.21Å; L101-N103 VanDerWaalsContact O-N 3.13Å; L101-N103 PolarHBondContact O-OD1 3.26Å; L101-A104 WeakPolarHBondContact O-CA 3.31Å; L101-A104 PolarHBondContact O-N 3.34Å; L101-N105 PolarHBondContact O-N 2.89Å; L101-N105 PolarHBondContact O-OD1 2.8Å
102M93.9Very high96.7Very high40 Ų4052.3 Ų52.320%0.19726%0.257CS..G310 helixtrans-49.2-45.1-170.6-179.561.193.300112.8L43 N45 H53 A104 N105L43-M102 HydrophobicContact CB-CE 3.96Å; L43-M102 HydrophobicContact CB-SD 3.77Å; N45-M102 WeakPolarHBondContact OD1-CB 3.38Å; N45-M102 PolarHBondContact OD1-N 2.76Å; H53-M102 HydrophobicContact CB-CE 3.86Å; H53-M102 WeakPolarHBondContact O-CE 3.32Å; M102-A104 PolarHBondContact O-N 3.41Å; M102-N105 WeakPolarHBondContact O-CB 3.32Å; M102-N105 PolarHBondContact O-N 2.93Å; M102-N105 VanDerWaalsContact O-N 3.13Å; M102-N105 PolarHBondContact SD-ND2 3.4Å; M102-N105 VanDerWaalsContact SD-ND2 3.41Å
103N96.2Very high97Very high148 Ų14849.5 Ų49.579%0.79125%0.246SC*.G310 helixtrans-60.5-17.217967.4-32.5000114.3L101L101-N103 WeakPolarHBondContact CB-OD1 3.35Å; L101-N103 PolarHBondContact O-N 3.21Å; L101-N103 VanDerWaalsContact O-N 3.13Å; L101-N103 PolarHBondContact O-OD1 3.26Å
104A96.6Very high96.9Very high23 Ų2354.8 Ų54.819%0.1927%0.27CS..G310 helixtrans-115.24.5-179.100000113.6R100 L101 M102 G106 R107R100-A104 HydrophobicContact CB-CB 4.07Å; L101-A104 WeakPolarHBondContact O-CA 3.31Å; L101-A104 PolarHBondContact O-N 3.34Å; M102-A104 PolarHBondContact O-N 3.41Å; A104-G106 PolarHBondContact O-N 3.22Å; A104-R107 PolarHBondContact O-N 3.38Å
105N97.8Very high96.7Very high2 Ų257 Ų571%0.01128%0.281CS..Hα-helixtrans-60.3-33.8-179.2-76.8-5.2000113L43 G44 P98 R100 L101 M102 R107 S108 V109L43-N105 HydrophobicContact CD2-CB 4.06Å; G44-N105 PolarHBondContact N-ND2 3.48Å; G44-N105 VanDerWaalsContact N-ND2 3.14Å; G44-N105 PolarHBondContact O-ND2 3.21Å; P98-N105 HydrophobicContact CB-CB 4.11Å; P98-N105 WeakPolarHBondContact CB-OD1 3.33Å; P98-N105 HydrophobicContact CG-CB 3.9Å; R100-N105 PolarHBondContact O-OD1 2.89Å; L101-N105 PolarHBondContact O-N 2.89Å; L101-N105 PolarHBondContact O-OD1 2.8Å; M102-N105 WeakPolarHBondContact O-CB 3.32Å; M102-N105 PolarHBondContact O-N 2.93Å; M102-N105 VanDerWaalsContact O-N 3.13Å; M102-N105 PolarHBondContact SD-ND2 3.4Å; M102-N105 VanDerWaalsContact SD-ND2 3.41Å; N105-R107 PolarHBondContact O-N 3.27Å; N105-R107 VanDerWaalsContact O-N 3.15Å; N105-S108 WeakPolarHBondContact O-CB 2.87Å; N105-S108 PolarHBondContact O-N 2.84Å; N105-V109 PolarHBondContact O-N 3.34Å
106G97.4Very high96.2Very high53 Ų5358.9 Ų58.955%0.54629%0.29SS..Hα-helixtrans-55.2-33.5177.700000113.5A104 S108 V109 A110A104-G106 PolarHBondContact O-N 3.22Å; G106-S108 PolarHBondContact O-N 3Å; G106-V109 PolarHBondContact O-N 2.8Å; G106-A110 VanDerWaalsContact O-CB 3.29Å; G106-A110 WeakPolarHBondContact O-CB 3.46Å; G106-A110 PolarHBondContact O-N 2.83Å
107R97.7Very high95.8Very high188 Ų18861 Ų6171%0.70931%0.312SS*.Hα-helixtrans-66.3-38.6175.9-64.9-177.5179.3-1790.6112.1A104 N105 R111A104-R107 PolarHBondContact O-N 3.38Å; N105-R107 PolarHBondContact O-N 3.27Å; N105-R107 VanDerWaalsContact O-N 3.15Å; R107-R111 WeakPolarHBondContact O-CB 3.17Å; R107-R111 PolarHBondContact O-N 3.28Å; R107-R111 VanDerWaalsContact O-N 3.11Å
108S98Very high95.4Very high0 Ų059.1 Ų59.10%031%0.306CS..Hα-helixtrans-69.9-42.1177.4-72.70000111.7C79 A80 N105 G106 A112C79-S108 WeakPolarHBondContact O-CA 3.47Å; C79-S108 WeakPolarHBondContact O-CB 3.45Å; C79-S108 PolarHBondContact O-OG 3.43Å; A80-S108 PolarHBondContact O-OG 3.13Å; N105-S108 WeakPolarHBondContact O-CB 2.87Å; N105-S108 PolarHBondContact O-N 2.84Å; G106-S108 PolarHBondContact O-N 3Å; S108-A112 WeakPolarHBondContact O-CB 3.12Å; S108-A112 PolarHBondContact O-N 3.41Å
109V98.2Very high95.1Very high15 Ų1561.3 Ų61.39%0.09132%0.32CS..Hα-helixtrans-62.8-55.2176.6176.20000110.6A41 L43 L96 N105 G106 R111 A112 A113 V123 L125A41-V109 HydrophobicContact CB-CG2 3.79Å; L43-V109 HydrophobicContact CD2-CG2 4.24Å; L96-V109 HydrophobicContact CD2-CG2 4.25Å; N105-V109 PolarHBondContact O-N 3.34Å; G106-V109 PolarHBondContact O-N 2.8Å; V109-R111 VanDerWaalsContact C-N 3.31Å; V109-R111 PolarHBondContact O-N 3.15Å; V109-A112 PolarHBondContact O-N 2.97Å; V109-A112 VanDerWaalsContact O-N 3.09Å; V109-A113 PolarHBondContact O-N 3.41Å; V109-V123 HydrophobicContact CG1-CG1 3.7Å; V109-L125 HydrophobicContact CG1-CD2 4Å; V109-L125 HydrophobicContact CG2-CD2 4.21Å
110A97.6Very high95Very high51 Ų5160 Ų6042%0.42133%0.332SS..Hα-helixtrans-57.6-44.8-178.500000111.6G106 A112 A113 E114G106-A110 VanDerWaalsContact O-CB 3.29Å; G106-A110 WeakPolarHBondContact O-CB 3.46Å; G106-A110 PolarHBondContact O-N 2.83Å; A110-A112 VanDerWaalsContact C-N 3.31Å; A110-A112 PolarHBondContact O-N 3.06Å; A110-A113 WeakPolarHBondContact O-CB 3.49Å; A110-A113 PolarHBondContact O-N 3.19Å; A110-E114 WeakPolarHBondContact O-CG 3.27Å; A110-E114 PolarHBondContact O-N 3.15Å
111R97.8Very high94.9Very high105 Ų10561.8 Ų61.840%0.39635%0.345SS..Hα-helixtrans-65-36179.1-172.952.2177.7164.34.4112.6H78 C79 R107 V109 E114 L115H78-R111 WeakPolarHBondContact O-CG 3.42Å; C79-R111 HydrophobicContact CB-CB 4.12Å; C79-R111 HydrophobicContact CB-CG 4.1Å; R107-R111 WeakPolarHBondContact O-CB 3.17Å; R107-R111 PolarHBondContact O-N 3.28Å; R107-R111 VanDerWaalsContact O-N 3.11Å; V109-R111 VanDerWaalsContact C-N 3.31Å; V109-R111 PolarHBondContact O-N 3.15Å; R111-E114 VanDerWaalsContact CD-OE2 3.3Å; R111-E114 WeakPolarHBondContact CD-OE2 3.22Å; R111-E114 IonicContact CZ-OE2 3.57Å; R111-E114 IonicContact NE-OE2 3.82Å; R111-E114 IonicContact NH1-OE2 2.84Å; R111-E114 PolarHBondContact NH1-OE2 3.03Å; R111-L115 HydrophobicContact CG-CD1 4.49Å; R111-L115 WeakPolarHBondContact O-CG 3.34Å; R111-L115 PolarHBondContact O-N 2.9Å
112A95.8Very high94.8Very high0 Ų058.2 Ų58.20%033%0.326CS..Hα-helixtrans-71-39.3174.400000112.1C79 L96 S108 V109 A110 E114 L115 F116C79-A112 HydrophobicContact CB-CB 3.87Å; L96-A112 HydrophobicContact CD1-CB 3.14Å; S108-A112 WeakPolarHBondContact O-CB 3.12Å; S108-A112 PolarHBondContact O-N 3.41Å; V109-A112 PolarHBondContact O-N 2.97Å; V109-A112 VanDerWaalsContact O-N 3.09Å; A110-A112 VanDerWaalsContact C-N 3.31Å; A110-A112 PolarHBondContact O-N 3.06Å; A112-E114 VanDerWaalsContact C-N 3.3Å; A112-E114 PolarHBondContact O-N 3.21Å; A112-L115 PolarHBondContact O-N 3.33Å; A112-L115 VanDerWaalsContact O-N 3.14Å; A112-F116 WeakPolarHBondContact O-CD2 3.22Å; A112-F116 PolarHBondContact O-N 3.04Å
113A95.5Very high94.9Very high13 Ų1357.8 Ų57.811%0.10733%0.325CS..Hα-helixtrans-57.7-43.9173.300000111.4V109 A110 F116 G117 L118 V123V109-A113 PolarHBondContact O-N 3.41Å; A110-A113 WeakPolarHBondContact O-CB 3.49Å; A110-A113 PolarHBondContact O-N 3.19Å; A113-F116 CarbonylContact O-C 3.54Å; A113-F116 PolarHBondContact O-N 3.14Å; A113-G117 PolarHBondContact O-N 2.75Å; A113-L118 HydrophobicContact CB-CB 4.15Å; A113-L118 PolarHBondContact O-N 3.28Å; A113-V123 HydrophobicContact CB-CG2 3.99Å
114E94Very high95Very high124 Ų12457 Ų5758%0.57931%0.312SS*.Hα-helixtrans-59.5-47.1172.2-70.7169.9-170.800112.4A110 R111 A112 F116 G117A110-E114 WeakPolarHBondContact O-CG 3.27Å; A110-E114 PolarHBondContact O-N 3.15Å; R111-E114 VanDerWaalsContact CD-OE2 3.3Å; R111-E114 WeakPolarHBondContact CD-OE2 3.22Å; R111-E114 IonicContact CZ-OE2 3.57Å; R111-E114 IonicContact NE-OE2 3.82Å; R111-E114 IonicContact NH1-OE2 2.84Å; R111-E114 PolarHBondContact NH1-OE2 3.03Å; A112-E114 VanDerWaalsContact C-N 3.3Å; A112-E114 PolarHBondContact O-N 3.21Å; E114-F116 PolarHBondContact O-N 3.24Å; E114-G117 PolarHBondContact O-N 2.96Å
115L91.1Very high95Very high47 Ų4760.4 Ų60.425%0.24633%0.326CS..Hα-helixtrans-60.9-32.7179.5-73.9169.4000112.4L22 H78 C79 R111 A112L22-L115 WeakPolarHBondContact CD1-O 3.07Å; H78-L115 HydrophobicContact CB-CD1 3.83Å; H78-L115 HydrophobicContact CB-CD2 4.45Å; C79-L115 HydrophobicContact CB-CD1 4.01Å; R111-L115 HydrophobicContact CG-CD1 4.49Å; R111-L115 WeakPolarHBondContact O-CG 3.34Å; R111-L115 PolarHBondContact O-N 2.9Å; A112-L115 PolarHBondContact O-N 3.33Å; A112-L115 VanDerWaalsContact O-N 3.14Å
116F89.6Confident95Very high39 Ų3962.1 Ų62.117%0.17134%0.337CS..Hα-helixtrans-99.32.3179.9-68.3-70.6000113.7L83 V94 A112 A113 E114 L118L83-F116 HydrophobicContact CD1-CE2 3.93Å; L83-F116 HydrophobicContact CD1-CZ 4.02Å; V94-F116 HydrophobicContact CG1-CD2 3.99Å; V94-F116 HydrophobicContact CG1-CE2 3.62Å; V94-F116 HydrophobicContact CG1-CZ 4.06Å; V94-F116 HydrophobicContact CG2-CD1 4.11Å; V94-F116 HydrophobicContact CG2-CD2 4.14Å; V94-F116 HydrophobicContact CG2-CE1 4.19Å; V94-F116 HydrophobicContact CG2-CE2 4.25Å; V94-F116 HydrophobicContact CG2-CG 4.09Å; V94-F116 HydrophobicContact CG2-CZ 4.28Å; A112-F116 WeakPolarHBondContact O-CD2 3.22Å; A112-F116 PolarHBondContact O-N 3.04Å; A113-F116 CarbonylContact O-C 3.54Å; A113-F116 PolarHBondContact O-N 3.14Å; E114-F116 PolarHBondContact O-N 3.24Å; F116-L118 HydrophobicContact CB-CD1 3.93Å; F116-L118 HydrophobicContact CB-CD2 3.96Å; F116-L118 HydrophobicContact CB-CG 3.67Å; F116-L118 WeakPolarHBondContact O-CD2 3.25Å
117G89.3Confident94.9Very high46 Ų4664.1 Ų64.147%0.47433%0.332SS..THydrogen-bonded Turntrans66.732.4179.600000114.3A113 E114A113-G117 PolarHBondContact O-N 2.75Å; E114-G117 PolarHBondContact O-N 2.96Å
118L90.3Very high94.7Very high24 Ų2456.6 Ų56.613%0.12631%0.306CS..  trans-89.7144-173-50.2-176.9000112.1R37 Q39 A113 F116 E122 V123R37-L118 HydrophobicContact CB-CD2 4.13Å; R37-L118 WeakPolarHBondContact O-CD1 3.37Å; R37-L118 WeakPolarHBondContact O-CD2 3.49Å; Q39-L118 HydrophobicContact CB-CD1 3.41Å; Q39-L118 VanDerWaalsContact CB-CD1 3.41Å; A113-L118 HydrophobicContact CB-CB 4.15Å; A113-L118 PolarHBondContact O-N 3.28Å; F116-L118 HydrophobicContact CB-CD1 3.93Å; F116-L118 HydrophobicContact CB-CD2 3.96Å; F116-L118 HydrophobicContact CB-CG 3.67Å; F116-L118 WeakPolarHBondContact O-CD2 3.25Å; L118-E122 WeakPolarHBondContact CA-OE2 3.36Å; L118-E122 HydrophobicContact CB-CB 4.23Å; L118-V123 HydrophobicContact CB-CG2 4.35Å; L118-V123 HydrophobicContact CD1-CG2 4.49Å
119T92.1Very high94.5Very high48 Ų4860.9 Ų60.929%0.29433%0.326SS..  trans-86.2167.6166.176.20000111E121 E122T119-E121 WeakPolarHBondContact CB-OE2 3.38Å; T119-E121 PolarHBondContact O-N 3.16Å; T119-E121 PolarHBondContact OG1-OE2 3.4Å; T119-E122 PolarHBondContact N-OE2 2.85Å; T119-E122 WeakPolarHBondContact O-CB 3.32Å; T119-E122 PolarHBondContact O-N 3.23Å; T119-E122 PolarHBondContact OG1-OE2 3.42Å
120A93.3Very high94.1Very high80 Ų8066.1 Ų66.166%0.66135%0.353SS*.G310 helixtrans-60.9-33.2-179.900000112.3E122 V123A120-E122 PolarHBondContact O-N 2.76Å; A120-V123 PolarHBondContact O-N 3.13Å; A120-V123 VanDerWaalsContact O-N 3.15Å
121E94.1Very high93.8Very high147 Ų14771 Ų7169%0.68737%0.371SS*.G310 helixtrans-69.2-14.8177.5-55.677-168.700113T119T119-E121 WeakPolarHBondContact CB-OE2 3.38Å; T119-E121 PolarHBondContact O-N 3.16Å; T119-E121 PolarHBondContact OG1-OE2 3.4Å
122E94Very high93.4Very high29 Ų2970.3 Ų70.314%0.13637%0.371CS..G310 helixtrans-96.7-0.1177.5-62.1174.4128.900111.7R25 P38 Q39 L118 T119 A120R25-E122 IonicContact NH1-OE2 3.78Å; P38-E122 CarbonylContact C-O 3.53Å; P38-E122 VanDerWaalsContact CA-O 3.29Å; P38-E122 WeakPolarHBondContact CA-O 3.47Å; Q39-E122 PolarHBondContact N-O 2.83Å; L118-E122 WeakPolarHBondContact CA-OE2 3.36Å; L118-E122 HydrophobicContact CB-CB 4.23Å; T119-E122 PolarHBondContact N-OE2 2.85Å; T119-E122 WeakPolarHBondContact O-CB 3.32Å; T119-E122 PolarHBondContact O-N 3.23Å; T119-E122 PolarHBondContact OG1-OE2 3.42Å; A120-E122 PolarHBondContact O-N 2.76Å
123V96.5Very high93.2Very high31 Ų3174.7 Ų74.719%0.18840%0.4CS..EExtended strand (participates in β ladder)trans-110.9122.2-178.9-179.40000110.8Q39 V109 A113 L118 A120 L125Q39-V123 HydrophobicContact CB-CG2 4.38Å; Q39-V123 HydrophobicContact CG-CG1 4.48Å; V109-V123 HydrophobicContact CG1-CG1 3.7Å; A113-V123 HydrophobicContact CB-CG2 3.99Å; L118-V123 HydrophobicContact CB-CG2 4.35Å; L118-V123 HydrophobicContact CD1-CG2 4.49Å; A120-V123 PolarHBondContact O-N 3.13Å; A120-V123 VanDerWaalsContact O-N 3.15Å; V123-L125 HydrophobicContact CG1-CD2 4.07Å
124Y97.6Very high92.9Very high133 Ų13382.6 Ų82.652%0.52244%0.439SS..EExtended strand (participates in β ladder)trans-112.8129.3178.6-61-94.8000109.6P38 Q39 V40 A41P38-Y124 HydrophobicContact CB-CD2 4.37Å; P38-Y124 HydrophobicContact CB-CE2 4.02Å; Q39-Y124 PolarHBondContact O-N 3.09Å; V40-Y124 CarbonylContact C-O 3.54Å; V40-Y124 WeakPolarHBondContact CA-O 3.45Å; A41-Y124 PolarHBondContact N-O 2.99Å
125L97.7Very high92.6Very high93 Ų9380 Ų8049%0.48745%0.446SS..EExtended strand (participates in β ladder)trans-106.4135.4178.7-56.1-176.8000110.1A41 L43 V109 V123A41-L125 HydrophobicContact CB-CD2 3.85Å; L43-L125 HydrophobicContact CD2-CD2 4.43Å; V109-L125 HydrophobicContact CG1-CD2 4Å; V109-L125 HydrophobicContact CG2-CD2 4.21Å; V123-L125 HydrophobicContact CG1-CD2 4.07Å
126V97.6Very high92.6Very high38 Ų3886.1 Ų86.123%0.2347%0.466CS..EExtended strand (participates in β ladder)trans-115.4119171.4-170.60000108.1V40 A41 L43 G56 V59 L60V40-V126 HydrophobicContact CG1-CG2 3.89Å; A41-V126 PolarHBondContact O-N 2.81Å; L43-V126 PolarHBondContact N-O 3.43Å; G56-V126 VanDerWaalsContact CA-O 3.31Å; G56-V126 WeakPolarHBondContact CA-O 3.34Å; V59-V126 HydrophobicContact CB-CG1 3.94Å; V59-V126 HydrophobicContact CG1-CG1 3.91Å; V59-V126 HydrophobicContact CG2-CG1 4.16Å; L60-V126 HydrophobicContact CD2-CB 4.13Å; L60-V126 HydrophobicContact CD2-CG2 3.93Å
127H95.8Very high92.3Very high95 Ų9594.3 Ų94.344%0.4451%0.511SS..  trans-147.9172.3-178.567.387.4000111.3L43L43-H127 HydrophobicContact CB-CB 4.06Å; L43-H127 HydrophobicContact CD1-CB 3.97Å; L43-H127 HydrophobicContact CG-CB 4.2Å
128D94Very high92.5Very high31 Ų3196.8 Ų96.817%0.16651%0.512CS..  trans-77145.7171.153.9-39.4000111.9R52 H53 V55R52-D128 WeakPolarHBondContact O-CB 2.92Å; H53-D128 WeakPolarHBondContact CA-OD1 3.48Å; H53-D128 IonicContact CE1-OD2 3.86Å; H53-D128 IonicContact CG-OD2 3.8Å; H53-D128 PolarHBondContact N-OD2 2.81Å; H53-D128 IonicContact ND1-OD1 2.99Å; H53-D128 IonicContact ND1-OD2 3.94Å; H53-D128 PolarHBondContact ND1-OD2 3.49Å; V55-D128 HydrophobicContact CG1-CB 3.7Å
129E92.6Very high92.6Very high90 Ų90100.6 Ų100.642%0.42153%0.533SS..  trans-117.5128174.2179.853.8-9100108.7D131 K132E129-D131 PolarHBondContact OE1-N 3.13Å; E129-K132 HydrophobicContact CB-CD 4.42Å; E129-K132 HydrophobicContact CG-CB 3.86Å; E129-K132 HydrophobicContact CG-CD 3.78Å; E129-K132 HydrophobicContact CG-CG 3.56Å
130L90Very high92.6Very high125 Ų125103.5 Ų103.565%0.65455%0.546SS*.SBendtrans-91.7-25.4-179.6-67.1176.9000111.8K132L130-K132 VanDerWaalsContact C-N 3.31Å; L130-K132 PolarHBondContact O-N 2.76Å
131D91.6Very high92.6Very high152 Ų152104.9 Ų104.981%0.81354%0.539SS*.SBendtrans-84.9-6.8-173.4-64.8-26.5000113E129E129-D131 PolarHBondContact OE1-N 3.13Å
132K89.3Confident92.5Very high91 Ų91102.3 Ų102.340%0.39653%0.53SS..SBendtrans-101.2141.7179.9-71.4-176.8-172.8-166.30111.9E129 L130 R136 L137E129-K132 HydrophobicContact CB-CD 4.42Å; E129-K132 HydrophobicContact CG-CB 3.86Å; E129-K132 HydrophobicContact CG-CD 3.78Å; E129-K132 HydrophobicContact CG-CG 3.56Å; L130-K132 VanDerWaalsContact C-N 3.31Å; L130-K132 PolarHBondContact O-N 2.76Å; K132-R136 HydrophobicContact CB-CB 4.32Å; K132-L137 PolarHBondContact NZ-O 3.16Å; K132-L137 PolarHBondContact NZ-OXT 3.44Å
133P91.8Very high92.4Very high93 Ų93107.1 Ų107.160%0.60456%0.556SS**PPolyproline II helixtrans-58.6151.4168.6-22.933.2000112.3G135 R136P133-G135 PolarHBondContact O-N 3.09Å; P133-R136 HydrophobicContact CB-CG 4.25Å; P133-R136 WeakPolarHBondContact O-CB 3.34Å; P133-R136 PolarHBondContact O-N 3.37Å
134L88.7Confident92.1Very high178 Ų178112.6 Ų112.693%0.93258%0.583SS**THydrogen-bonded Turntrans-54.8135.4177.5-176.166.5000111.4R136L134-R136 VanDerWaalsContact C-N 3.34Å
135G88.5Confident91.7Very high70 Ų70111 Ų11172%0.72259%0.587SS**THydrogen-bonded Turntrans79.913.818000000114.3P133P133-G135 PolarHBondContact O-N 3.09Å
136R89.8Confident91.2Very high175 Ų175112.5 Ų112.566%0.6660%0.596SS**  trans-104.9144.5168-61.7-61.8-166.4-98.41.6110.2K132 P133 L134K132-R136 HydrophobicContact CB-CB 4.32Å; P133-R136 HydrophobicContact CB-CG 4.25Å; P133-R136 WeakPolarHBondContact O-CB 3.34Å; P133-R136 PolarHBondContact O-N 3.37Å; L134-R136 VanDerWaalsContact C-N 3.34Å
137L84.4Confident90.6Very high212 Ų212119.3 Ų119.3100%1.1163%0.629SS**  trans-114.90176.4-70.3175.1000111.1K132K132-L137 PolarHBondContact NZ-O 3.16Å; K132-L137 PolarHBondContact NZ-OXT 3.44Å

Retrieved 137 of 137 residues in 689 ms (Link to these results)