A0A087WT48_HUMAN Loading...

DnaJ heat shock protein family (Hsp40) member A2

AlphaFold DB , UniProt , Accession A0A087WT48, Species HUMAN (Homo sapiens, Human), Gene DNAJA2, Length 134 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
1M52Low53.6Low225 Ų225128.9 Ų128.9100%1.10871%0.71SS**  057.70-160.386.4175.200105.6
2D50.8Low53.5Low127 Ų127123.7 Ų123.768%0.67971%0.707SS**  trans-1407.9-158.5-61.5-78.9000113.8
3D55.1Low53.2Low129 Ų129124.8 Ų124.869%0.6971%0.709SS**THydrogen-bonded Turntrans-96.6-6-173.7-67.1-53.1000115.2S6 H7D3-S6 PolarHBondContact O-OG 2.7Å; D3-H7 PolarHBondContact O-ND1 3.15Å; D3-H7 VanDerWaalsContact O-ND1 3.14Å
4I55.5Low52.6Low139 Ų139129.4 Ų129.471%0.71372%0.718SS**THydrogen-bonded Turntrans-88.2-29.4175.5-87.2169000112.3
5F51.1Low52.2Low160 Ų160125.7 Ų125.770%0.70272%0.72SS**THydrogen-bonded Turntrans-82.2-22.5-179.2-85.6-87.9000113.5
6S53.6Low51.8Low57 Ų57130.9 Ų130.940%0.39973%0.732SS.*Hα-helixtrans-75.7-26.6177.852.80000113.6D3 I8 G10D3-S6 PolarHBondContact O-OG 2.7Å; S6-I8 VanDerWaalsContact C-N 3.34Å; S6-I8 PolarHBondContact O-N 3.08Å; S6-G10 WeakPolarHBondContact O-CA 3.36Å; S6-G10 PolarHBondContact O-N 3.37Å
7H52.9Low51.8Low145 Ų145134.2 Ų134.267%0.67174%0.743SS**Hα-helixtrans-78.7-13.7178.5-78.971.4000114.1D3D3-H7 PolarHBondContact O-ND1 3.15Å; D3-H7 VanDerWaalsContact O-ND1 3.14Å
8I55.4Low51.7Low110 Ų110129.8 Ų129.856%0.56473%0.734SS**Hα-helixtrans-95.5-35.5178.7-66.6175.3000111.6S6S6-I8 VanDerWaalsContact C-N 3.34Å; S6-I8 PolarHBondContact O-N 3.08Å
9F58.1Low51.5Low182 Ų182130.5 Ų130.580%0.79874%0.736SS**Hα-helixtrans-106.1-12.3-175.7-81.3-89.2000114.7
10G49.1Very low51.2Low55 Ų55132.2 Ų132.257%0.56774%0.737SS**SBendtrans-99.771.2178.700000113.4S6 G12S6-G10 WeakPolarHBondContact O-CA 3.36Å; S6-G10 PolarHBondContact O-N 3.37Å; G10-G12 PolarHBondContact O-N 3.3Å; G10-G12 VanDerWaalsContact O-N 3.15Å
11G56Low51.2Low89 Ų89130.4 Ų130.492%0.91873%0.733SS**SBendtrans60.233151.500000119.4
12G52.8Low51.2Low66 Ų66128 Ų12868%0.6871%0.712SS**SBendtrans-135.6-4.7-171.700000119.4G10G10-G12 PolarHBondContact O-N 3.3Å; G10-G12 VanDerWaalsContact O-N 3.15Å
13L48.9Very low51.2Low139 Ų139126.9 Ų126.973%0.72871%0.714SS**SBendtrans-137.5-7.6-175-165.259.8000115.5
14F45Very low51.1Low189 Ų189129.9 Ų129.983%0.82972%0.716SS**SBendtrans-95.62.1179.7-94.6-89.1000114.6
15G47.1Very low51Low73 Ų73130.4 Ų130.475%0.75372%0.72SS**SBendtrans-83.9-15.4177.700000115.1
16F44.8Very low51.4Low210 Ų210125.2 Ų125.292%0.92171%0.711SS**SBendtrans-104.4-5.1-171.2-92.4-85.4000115.6
17M52.4Low51.7Low186 Ų186134.5 Ų134.592%0.91674%0.738SS**SBendtrans-110.912.4176.8-85.7-154.7-168.700114.1
18G50.6Low52.7Low56 Ų56138 Ų13858%0.57775%0.745SS**SBendtrans-114.921.6-163.900000116.3
19N47.7Very low53.7Low143 Ų143142.3 Ų142.377%0.76575%0.754SS**  trans-158.831.6171-128.214.1000117.2S21N19-S21 PolarHBondContact O-N 3.35Å; N19-S21 PolarHBondContact OD1-OG 3.27Å
20Q45.4Very low54.8Low164 Ų164136.4 Ų136.477%0.76675%0.745SS**  trans-83.357.7157.6-154.5173.47900109.3R22Q20-R22 HydrophobicContact CG-CG 4.28Å; Q20-R22 PolarHBondContact O-N 2.85Å
21S50Low56.5Low94 Ų94143.2 Ų143.266%0.65776%0.762SS**  trans-61.583.2158.8-65.10000105.7N19 S23N19-S21 PolarHBondContact O-N 3.35Å; N19-S21 PolarHBondContact OD1-OG 3.27Å; S21-S23 VanDerWaalsContact C-N 3.3Å; S21-S23 PolarHBondContact O-N 3.47Å
22R52.9Low57.9Low175 Ų175144.6 Ų144.666%0.6675%0.748SS**  trans-49.6100.4176.9-74.4173.6173.7172.4-5.4106.2Q20 R24Q20-R22 HydrophobicContact CG-CG 4.28Å; Q20-R22 PolarHBondContact O-N 2.85Å; R22-R24 HydrophobicContact CB-CG 4.4Å; R22-R24 PolarHBondContact O-N 2.82Å
23S50Low59.3Low103 Ų103147.4 Ų147.472%0.7275%0.745SS**  trans-61.581.9162.9-176.40000106.3S21 N25S21-S23 VanDerWaalsContact C-N 3.3Å; S21-S23 PolarHBondContact O-N 3.47Å; S23-N25 PolarHBondContact O-N 2.84Å; S23-N25 VanDerWaalsContact O-N 3.11Å
24R54.8Low61.2Low192 Ų192149.1 Ų149.173%0.72575%0.751SS**  trans-72.314.8168.7-87.8-177.5169.9-178.1-0110.9R22 G26R22-R24 HydrophobicContact CB-CG 4.4Å; R22-R24 PolarHBondContact O-N 2.82Å; R24-G26 VanDerWaalsContact C-N 3.35Å
25N52.7Low63.1Low151 Ų151145.1 Ų145.181%0.80774%0.735SS**  trans-98.524179.7-151.843.5000112.2S23S23-N25 PolarHBondContact O-N 2.84Å; S23-N25 VanDerWaalsContact O-N 3.11Å
26G58.5Low65Low50 Ų50147 Ų14752%0.51573%0.734SS.*SBendtrans-74132.3160.800000108.9R24 R28R24-G26 VanDerWaalsContact C-N 3.35Å; G26-R28 PolarHBondContact O-N 2.86Å
27R60.6Low67.1Low253 Ų253141.1 Ų141.196%0.95571%0.712SS**  trans-52.3111.1169.7-69.7177.3177.1168.3-1.1107.7R29R27-R29 PolarHBondContact O-N 3.46Å; R27-R29 VanDerWaalsContact O-N 3.12Å
28R73.3Confident68.9Low218 Ų218141.9 Ų141.982%0.82371%0.71SS**PPolyproline II helixtrans-63.6116.3176.8-69.2-173.9179.4-1732.5107.5G26 G30G26-R28 PolarHBondContact O-N 2.86Å; R28-G30 PolarHBondContact O-N 2.91Å
29R77.6Confident70.9Confident201 Ų201142.9 Ų142.976%0.75871%0.705SS**PPolyproline II helixtrans-63.3133.5170.5-172.9178.8166176-7.7107.6R27 D32R27-R29 PolarHBondContact O-N 3.46Å; R27-R29 VanDerWaalsContact O-N 3.12Å; R29-D32 IonicContact CZ-OD1 2.72Å; R29-D32 IonicContact NE-OD1 3.53Å; R29-D32 IonicContact NH2-OD1 3.68Å; R29-D32 PolarHBondContact NH2-OD1 3.4Å; R29-D32 IonicContact NH2-OD2 3.7Å; R29-D32 PolarHBondContact NH2-OD2 3.02Å
30G80.5Confident73Confident58 Ų58137.9 Ų137.960%0.59868%0.681SS**PPolyproline II helixtrans-66.4160172.700000111.1R28R28-G30 PolarHBondContact O-N 2.91Å
31E83.9Confident75.4Confident198 Ų198137.2 Ų137.293%0.92568%0.682SS**PPolyproline II helixtrans-64.8144.7174.1-64.4176.5176.400110.8
32D86.1Confident77.4Confident118 Ų118139 Ų13963%0.63168%0.68SS**PPolyproline II helixtrans-76.7145.6177.6-66-33.5000110.3R29R29-D32 IonicContact CZ-OD1 2.72Å; R29-D32 IonicContact NE-OD1 3.53Å; R29-D32 IonicContact NH2-OD1 3.68Å; R29-D32 PolarHBondContact NH2-OD1 3.4Å; R29-D32 IonicContact NH2-OD2 3.7Å; R29-D32 PolarHBondContact NH2-OD2 3.02Å
33M83.1Confident79.2Confident124 Ų124132.6 Ų132.661%0.61166%0.659SS**PPolyproline II helixtrans-99.4124.3178.3-176.8180-65.500110.5L54 S55M33-L54 HydrophobicContact SD-CD2 4.31Å; M33-S55 WeakPolarHBondContact CE-O 3.32Å
34M87.2Confident81.2Confident175 Ų175133.2 Ų133.286%0.86265%0.653SS**PPolyproline II helixtrans-101.8124.8175.9-65.1-67-84.500110.6
35H84.9Confident83Confident105 Ų105133.8 Ų133.849%0.48666%0.657SS.*  trans-121.9104.1176.5-170.974.3000110.6L37 L54H35-L37 PolarHBondContact O-N 3.16Å; H35-L54 HydrophobicContact CB-CD2 4.41Å
36P88.2Confident85Confident114 Ų114132.6 Ų132.674%0.7465%0.651SS**PPolyproline II helixtrans-73.3120.5-179.328.3-32.3000110.9
37L89.6Confident86.6Confident85 Ų85133 Ų13345%0.44565%0.654SS.*PPolyproline II helixtrans-94.4121.7174.8-99.8158.2000110.2H35 T50 L52H35-L37 PolarHBondContact O-N 3.16Å; L37-T50 HydrophobicContact CD2-CG2 4.5Å; L37-L52 HydrophobicContact CD1-CD1 3.86Å; L37-L52 HydrophobicContact CD1-CD2 3.88Å; L37-L52 HydrophobicContact CD1-CG 4.27Å; L37-L52 HydrophobicContact CD2-CD2 3.94Å; L37-L52 HydrophobicContact CG-CD2 3.92Å
38K89.6Confident88Confident202 Ų202126.2 Ų126.288%0.87863%0.632SS**PPolyproline II helixtrans-83.5124.2171.6-67.1-176.5179.6-179.20109.4
39V91.5Very high88.8Confident77 Ų77122.8 Ų122.847%0.46764%0.635SS.*  trans-129.1143.9178.7-66.10000109.8L44V39-L44 HydrophobicContact CB-CG 4.37Å; V39-L44 HydrophobicContact CG2-CD1 3.94Å; V39-L44 HydrophobicContact CG2-CD2 4.15Å; V39-L44 HydrophobicContact CG2-CG 3.93Å
40S93.4Very high89.2Confident39 Ų39115.7 Ų115.727%0.27361%0.614SS.*  trans-87165169.759.60000110.7E42 D43 L44S40-E42 VanDerWaalsContact C-N 3.32Å; S40-E42 PolarHBondContact O-N 3.36Å; S40-E42 WeakPolarHBondContact OG-CG 3.04Å; S40-E42 PolarHBondContact OG-OE1 2.8Å; S40-D43 PolarHBondContact O-N 3.4Å; S40-D43 WeakPolarHBondContact OG-CB 3.43Å; S40-D43 PolarHBondContact OG-N 3.29Å; S40-D43 PolarHBondContact OG-OD2 3.23Å; S40-D43 VanDerWaalsContact OG-OD2 3.08Å; S40-L44 PolarHBondContact O-N 2.89Å; S40-L44 VanDerWaalsContact O-N 3.16Å
41L94.4Very high89.6Confident150 Ų150121.6 Ų121.679%0.78562%0.623SS**Hα-helixtrans-65-36.3177.4-69174.5000112.1L44 Y45L41-L44 PolarHBondContact O-N 3.23Å; L41-Y45 PolarHBondContact O-N 3.12Å
42E92.1Very high89.8Confident131 Ų131114 Ų11461%0.61259%0.589SS**Hα-helixtrans-63.2-39.717458.2-176.7-179.300112.1S40 L44 Y45 N46S40-E42 VanDerWaalsContact C-N 3.32Å; S40-E42 PolarHBondContact O-N 3.36Å; S40-E42 WeakPolarHBondContact OG-CG 3.04Å; S40-E42 PolarHBondContact OG-OE1 2.8Å; E42-L44 VanDerWaalsContact C-N 3.31Å; E42-L44 PolarHBondContact O-N 3.49Å; E42-Y45 PolarHBondContact O-N 3.01Å; E42-N46 WeakPolarHBondContact O-CB 3.4Å; E42-N46 PolarHBondContact O-N 3.4Å; E42-N46 PolarHBondContact O-ND2 3.15Å; E42-N46 VanDerWaalsContact O-ND2 3.15Å
43D90.8Very high89.9Confident40 Ų40115 Ų11521%0.21459%0.59CS.*Hα-helixtrans-67.2-35178.2-77.7-25.5000111.2S40 G47 K48S40-D43 PolarHBondContact O-N 3.4Å; S40-D43 WeakPolarHBondContact OG-CB 3.43Å; S40-D43 PolarHBondContact OG-N 3.29Å; S40-D43 PolarHBondContact OG-OD2 3.23Å; S40-D43 VanDerWaalsContact OG-OD2 3.08Å; D43-G47 CarbonylContact O-C 3.48Å; D43-G47 VanDerWaalsContact O-CA 3.26Å; D43-G47 WeakPolarHBondContact O-CA 3.41Å; D43-G47 PolarHBondContact O-N 2.78Å; D43-K48 HydrophobicContact CB-CB 4.09Å; D43-K48 HydrophobicContact CB-CD 4.04Å; D43-K48 PolarHBondContact O-N 2.85Å; D43-K48 IonicContact OD1-NZ 3.81Å; D43-K48 WeakPolarHBondContact OD2-CD 3.31Å; D43-K48 IonicContact OD2-NZ 2.7Å; D43-K48 PolarHBondContact OD2-NZ 3.12Å
44L91.8Very high90.2Very high117 Ų117111.2 Ų111.261%0.61357%0.572SS**Hα-helixtrans-70.7-37.4174.4-78169000112.1V39 S40 L41 E42V39-L44 HydrophobicContact CB-CG 4.37Å; V39-L44 HydrophobicContact CG2-CD1 3.94Å; V39-L44 HydrophobicContact CG2-CD2 4.15Å; V39-L44 HydrophobicContact CG2-CG 3.93Å; S40-L44 PolarHBondContact O-N 2.89Å; S40-L44 VanDerWaalsContact O-N 3.16Å; L41-L44 PolarHBondContact O-N 3.23Å; E42-L44 VanDerWaalsContact C-N 3.31Å; E42-L44 PolarHBondContact O-N 3.49Å
45Y94.3Very high90.2Very high204 Ų204105 Ų10580%0.855%0.546SS*.Hα-helixtrans-73.3-46.2180-176.3-99.7000112.5L41 E42L41-Y45 PolarHBondContact O-N 3.12Å; E42-Y45 PolarHBondContact O-N 3.01Å
46N94.3Very high90.5Very high126 Ų126104.1 Ų104.167%0.67454%0.541SS*.Hα-helixtrans-84.2-16.9-177.5-64.6-45000113.2E42E42-N46 WeakPolarHBondContact O-CB 3.4Å; E42-N46 PolarHBondContact O-N 3.4Å; E42-N46 PolarHBondContact O-ND2 3.15Å; E42-N46 VanDerWaalsContact O-ND2 3.15Å
47G90.9Very high90.6Very high57 Ų57104.4 Ų104.459%0.58854%0.536SS*.  trans78.6130.8-17100000112D43D43-G47 CarbonylContact O-C 3.48Å; D43-G47 VanDerWaalsContact O-CA 3.26Å; D43-G47 WeakPolarHBondContact O-CA 3.41Å; D43-G47 PolarHBondContact O-N 2.78Å
48K90.3Very high90.6Very high111 Ų111101.9 Ų101.948%0.48352%0.524SS..  trans-127.7132.8178.9-171.8-173-160.4159.50111.2D43 T50D43-K48 HydrophobicContact CB-CB 4.09Å; D43-K48 HydrophobicContact CB-CD 4.04Å; D43-K48 PolarHBondContact O-N 2.85Å; D43-K48 IonicContact OD1-NZ 3.81Å; D43-K48 WeakPolarHBondContact OD2-CD 3.31Å; D43-K48 IonicContact OD2-NZ 2.7Å; D43-K48 PolarHBondContact OD2-NZ 3.12Å; K48-T50 HydrophobicContact CD-CG2 3.54Å; K48-T50 HydrophobicContact CG-CG2 3.83Å
49T90.1Very high90.8Very high146 Ų14698.1 Ų98.190%0.89651%0.513SS*.  trans-98.6119.4167.8-57.10000109
50T87.1Confident90.8Very high52 Ų5294.5 Ų94.532%0.31949%0.491SS..  trans-116.5134.7176.956.60000110.1L37 K48L37-T50 HydrophobicContact CD2-CG2 4.5Å; K48-T50 HydrophobicContact CD-CG2 3.54Å; K48-T50 HydrophobicContact CG-CG2 3.83Å
51K88.6Confident90.8Very high182 Ų18296.8 Ų96.879%0.79151%0.507SS*.  trans-81122.9173.7-65.6-176.3-177.9179.50108.8I133 L134K51-I133 HydrophobicContact CB-CG2 3.94Å; K51-I133 HydrophobicContact CD-CG2 4.44Å; K51-I133 HydrophobicContact CG-CG2 4.48Å; K51-L134 CarbonylContact C-O 3.58Å; K51-L134 VanDerWaalsContact CA-O 3.32Å; K51-L134 WeakPolarHBondContact CA-O 3.44Å
52L87.7Confident90.6Very high40 Ų4092.4 Ų92.421%0.20949%0.492CS..  trans-103.2120.7-178.7-72.6177.3000110.4L37 L54 I133 L134L37-L52 HydrophobicContact CD1-CD1 3.86Å; L37-L52 HydrophobicContact CD1-CD2 3.88Å; L37-L52 HydrophobicContact CD1-CG 4.27Å; L37-L52 HydrophobicContact CD2-CD2 3.94Å; L37-L52 HydrophobicContact CG-CD2 3.92Å; L52-L54 PolarHBondContact O-N 3.45Å; L52-I133 CarbonylContact O-C 3.42Å; L52-I133 VanDerWaalsContact O-CA 3.31Å; L52-I133 WeakPolarHBondContact O-CA 3.44Å; L52-L134 HydrophobicContact CB-CB 4.5Å; L52-L134 PolarHBondContact N-O 3.14Å; L52-L134 PolarHBondContact O-N 3.31Å
53Q88.4Confident90.5Very high138 Ų13886.7 Ų86.765%0.64547%0.466SS*.EExtended strand (participates in β ladder)trans-90102.8173.6-173.5177.7-20.400109.9V131Q53-V131 HydrophobicContact CG-CG1 3.29Å; Q53-V131 VanDerWaalsContact NE2-CG1 3.3Å
54L88.6Confident90.5Very high45 Ų4589.3 Ų89.324%0.23649%0.488CS..EExtended strand (participates in β ladder)trans-101.5129.6178.3-63.8176.3000110.7M33 H35 L52 V131 K132 L134M33-L54 HydrophobicContact SD-CD2 4.31Å; H35-L54 HydrophobicContact CB-CD2 4.41Å; L52-L54 PolarHBondContact O-N 3.45Å; L54-V131 CarbonylContact O-C 3.59Å; L54-V131 WeakPolarHBondContact O-CA 3.48Å; L54-K132 PolarHBondContact N-O 3.49Å; L54-K132 PolarHBondContact O-N 3.15Å; L54-L134 HydrophobicContact CD1-CD1 3.44Å; L54-L134 VanDerWaalsContact CD1-CD1 3.44Å; L54-L134 HydrophobicContact CD1-CG 4.12Å
55S88.8Confident90.3Very high45 Ų4584.5 Ų84.532%0.31547%0.467SS..EExtended strand (participates in β ladder)trans-100.1118.5171.1720000110.6M33 K129 E130M33-S55 WeakPolarHBondContact CE-O 3.32Å; S55-K129 VanDerWaalsContact OG-CE 3.26Å; S55-K129 WeakPolarHBondContact OG-CE 3.29Å; S55-E130 CarbonylContact C-O 3.52Å; S55-E130 WeakPolarHBondContact CA-O 3.44Å
56K89.5Confident90Very high86 Ų8678.8 Ų78.837%0.37445%0.447SS..EExtended strand (participates in β ladder)trans-120.5152.5177.758.2170-177.5166.40110.8V58 E130K56-V58 HydrophobicContact CD-CG1 3.78Å; K56-V58 HydrophobicContact CG-CG1 3.98Å; K56-E130 WeakPolarHBondContact CE-OE2 3.29Å; K56-E130 PolarHBondContact N-O 3.34Å; K56-E130 IonicContact NZ-OE2 3.29Å; K56-E130 PolarHBondContact NZ-OE2 3.03Å; K56-E130 PolarHBondContact O-N 3.17Å
57N90.1Very high89.8Confident120 Ų12072.8 Ų72.864%0.64242%0.415SS*.EExtended strand (participates in β ladder)trans-86.3124.9168.6-66-36000108.5I128N57-I128 WeakPolarHBondContact CA-O 3.25Å
58V91.7Very high89.7Confident31 Ų3170.2 Ų70.219%0.18839%0.389CS..EExtended strand (participates in β ladder)trans-118.1156175.1-62.40000110.1K56 C60 V127 I128 E130K56-V58 HydrophobicContact CD-CG1 3.78Å; K56-V58 HydrophobicContact CG-CG1 3.98Å; V58-C60 PolarHBondContact O-N 2.82Å; V58-V127 CarbonylContact O-C 3.5Å; V58-V127 WeakPolarHBondContact O-CA 3.34Å; V58-V127 WeakPolarHBondContact O-CB 3.13Å; V58-I128 HydrophobicContact CG2-CD1 4.21Å; V58-I128 HydrophobicContact CG2-CG1 3.61Å; V58-I128 PolarHBondContact N-O 2.96Å; V58-I128 PolarHBondContact O-N 2.97Å; V58-E130 HydrophobicContact CG1-CB 4.23Å; V58-E130 WeakPolarHBondContact CG1-OE2 3.23Å; V58-E130 HydrophobicContact CG2-CB 3.76Å
59L92.3Very high89.6Confident124 Ų12470.9 Ų70.965%0.64939%0.392SS*.EExtended strand (participates in β ladder)trans-58.2136.5173.1-66.7174.7000109.4S61 V127L59-S61 PolarHBondContact O-N 2.82Å; L59-S61 VanDerWaalsContact O-N 3.12Å; L59-V127 HydrophobicContact CD2-CG1 4.39Å
60C92.9Very high89.4Confident0 Ų069.1 Ų69.10%039%0.385CS..  trans-62.7118.1178.7-177.80000109.5V58 A62 C63 S64 G65 C122 K126 I128V58-C60 PolarHBondContact O-N 2.82Å; C60-A62 PolarHBondContact O-N 2.87Å; C60-C63 VanDerWaalsContact CB-SG 3.6Å; C60-C63 PolarHBondContact O-N 2.85Å; C60-S64 VanDerWaalsContact O-CA 3.29Å; C60-S64 WeakPolarHBondContact O-CA 3.3Å; C60-S64 PolarHBondContact O-N 2.99Å; C60-G65 PolarHBondContact O-N 3.24Å; C60-C122 HydrophobicContact CB-CB 3.82Å; C60-K126 VanDerWaalsContact CB-O 3.27Å; C60-K126 WeakPolarHBondContact CB-O 3.24Å; C60-K126 PolarHBondContact N-O 3.47Å; C60-I128 HydrophobicContact CB-CG2 4.01Å
61S91.5Very high89.2Confident88 Ų8869.5 Ų69.562%0.61540%0.4SS*.THydrogen-bonded Turntrans-64.8-25.8-179.154.60000113.7L59L59-S61 PolarHBondContact O-N 2.82Å; L59-S61 VanDerWaalsContact O-N 3.12Å
62A90.6Very high89.1Confident57 Ų5761.4 Ų61.447%0.47137%0.367SS..THydrogen-bonded Turntrans-77.8-26.9-178.900000114.3C60 K121C60-A62 PolarHBondContact O-N 2.87Å; A62-K121 HydrophobicContact CB-CB 4.33Å; A62-K121 HydrophobicContact CB-CD 3.68Å; A62-K121 HydrophobicContact CB-CG 4.04Å
63C90Very high89.2Confident11 Ų1161.3 Ų61.37%0.07437%0.368CS..THydrogen-bonded Turntrans-123.27.6179.164.90000113C60 G65 Q66 G67 G68 C119C60-C63 VanDerWaalsContact CB-SG 3.6Å; C60-C63 PolarHBondContact O-N 2.85Å; C63-G65 PolarHBondContact O-N 3.36Å; C63-Q66 VanDerWaalsContact O-CB 3.27Å; C63-Q66 WeakPolarHBondContact O-CB 3.26Å; C63-Q66 WeakPolarHBondContact O-CG 3.48Å; C63-Q66 PolarHBondContact O-N 3.39Å; C63-G67 PolarHBondContact SG-N 2.87Å; C63-G68 WeakPolarHBondContact CB-O 3.4Å; C63-C119 HydrophobicContact CB-CB 3.87Å
64S90.4Very high89.3Confident95 Ų9560.2 Ų60.266%0.66436%0.363SS*.THydrogen-bonded Turntrans48.436.6-178.1-56.90000113.7C60C60-S64 VanDerWaalsContact O-CA 3.29Å; C60-S64 WeakPolarHBondContact O-CA 3.3Å; C60-S64 PolarHBondContact O-N 2.99Å
65G88.4Confident89.4Confident17 Ų1766.1 Ų66.118%0.17539%0.387CS..THydrogen-bonded Turntrans80.46.7-178.100000116.1C60 C63 K126C60-G65 PolarHBondContact O-N 3.24Å; C63-G65 PolarHBondContact O-N 3.36Å; G65-K126 VanDerWaalsContact O-CB 3.32Å; G65-K126 WeakPolarHBondContact O-CB 3.13Å; G65-K126 VanDerWaalsContact O-CD 3.31Å; G65-K126 WeakPolarHBondContact O-CD 3.26Å; G65-K126 VanDerWaalsContact O-CG 3.22Å; G65-K126 WeakPolarHBondContact O-CG 3.33Å
66Q89.1Confident89.6Confident83 Ų8364 Ų6439%0.38837%0.372SS..SBendtrans-76.9-29.3176.5-64.1-179.27.700112.8C63 G68 V73 K126C63-Q66 VanDerWaalsContact O-CB 3.27Å; C63-Q66 WeakPolarHBondContact O-CB 3.26Å; C63-Q66 WeakPolarHBondContact O-CG 3.48Å; C63-Q66 PolarHBondContact O-N 3.39Å; Q66-G68 PolarHBondContact O-N 3.07Å; Q66-V73 HydrophobicContact CB-CG2 4.39Å; Q66-V73 WeakPolarHBondContact O-CG2 3.1Å; Q66-K126 WeakPolarHBondContact O-CE 3.18Å
67G88Confident89.7Confident0 Ų065.2 Ų65.20%039%0.391CS..SBendtrans85.9-15.5-179.300000114.3C63 C119 G124C63-G67 PolarHBondContact SG-N 2.87Å; G67-C119 VanDerWaalsContact O-CB 3.3Å; G67-C119 WeakPolarHBondContact O-CB 3.21Å; G67-C119 PolarHBondContact O-N 2.86Å; G67-G124 WeakPolarHBondContact O-CA 3.33Å
68G90.2Very high89.7Confident3 Ų361 Ų613%0.03137%0.373CS..BIsolated β-bridgetrans-140-171.8175.400000112.6C63 Q66 D117C63-G68 WeakPolarHBondContact CB-O 3.4Å; Q66-G68 PolarHBondContact O-N 3.07Å; G68-D117 CarbonylContact C-O 3.56Å; G68-D117 WeakPolarHBondContact CA-O 3.29Å
69K88.6Confident89.7Confident125 Ų12559.8 Ų59.854%0.54337%0.366SS..SBendtrans-61.7157166.6-68.3-179.7-166.7150.60110.7G71 A72 D117K69-G71 PolarHBondContact O-N 2.85Å; K69-A72 HydrophobicContact CB-CB 4.14Å; K69-A72 VanDerWaalsContact O-CB 3.24Å; K69-A72 WeakPolarHBondContact O-CB 3.48Å; K69-A72 PolarHBondContact O-N 2.93Å; K69-D117 HydrophobicContact CB-CB 4.49Å; K69-D117 HydrophobicContact CD-CB 4.41Å; K69-D117 WeakPolarHBondContact CD-OD1 3.43Å; K69-D117 HydrophobicContact CG-CB 4.49Å; K69-D117 PolarHBondContact N-O 3.11Å; K69-D117 IonicContact NZ-OD1 2.8Å; K69-D117 PolarHBondContact NZ-OD1 3.23Å
70S84.7Confident89.7Confident109 Ų10964.1 Ų64.176%0.76237%0.374SS*.THydrogen-bonded Turntrans-56.2125.1175.4-540000110.9A72S70-A72 VanDerWaalsContact C-N 3.27Å; S70-A72 PolarHBondContact O-N 3.18Å
71G84.2Confident89.5Confident61 Ų6166 Ų6663%0.62939%0.393SS*.THydrogen-bonded Turntrans80.2-4.2-178.100000115.8K69 V73 Q74K69-G71 PolarHBondContact O-N 2.85Å; G71-V73 VanDerWaalsContact C-N 3.3Å; G71-Q74 PolarHBondContact O-NE2 3.34Å
72A86.3Confident89.4Confident12 Ų1270.6 Ų70.610%0.09940%0.397CS..  trans-78.6-15.417800000113.7K69 S70 Q74 D117K69-A72 HydrophobicContact CB-CB 4.14Å; K69-A72 VanDerWaalsContact O-CB 3.24Å; K69-A72 WeakPolarHBondContact O-CB 3.48Å; K69-A72 PolarHBondContact O-N 2.93Å; S70-A72 VanDerWaalsContact C-N 3.27Å; S70-A72 PolarHBondContact O-N 3.18Å; A72-Q74 PolarHBondContact O-N 2.89Å; A72-D117 HydrophobicContact CB-CB 3.45Å; A72-D117 VanDerWaalsContact CB-CB 3.45Å
73V88.5Confident89.4Confident37 Ų3768 Ų6822%0.22438%0.375CS..EExtended strand (participates in β ladder)trans-76.8115.4177.5-1750000108.8Q66 G71 E111 I113Q66-V73 HydrophobicContact CB-CG2 4.39Å; Q66-V73 WeakPolarHBondContact O-CG2 3.1Å; G71-V73 VanDerWaalsContact C-N 3.3Å; V73-E111 HydrophobicContact CG1-CB 3.81Å; V73-E111 VanDerWaalsContact CG1-CD 3.42Å; V73-E111 HydrophobicContact CG1-CG 3.89Å; V73-E111 VanDerWaalsContact CG1-OE2 3.27Å; V73-E111 WeakPolarHBondContact CG1-OE2 3.26Å; V73-I113 HydrophobicContact CG2-CD1 4.13Å; V73-I113 HydrophobicContact CG2-CG1 4.14Å
74Q90.1Very high89.6Confident116 Ų11669.9 Ų69.954%0.54239%0.387SS..EExtended strand (participates in β ladder)trans-112.6145.8178.6-64.3-61.9-34.300110G71 A72 C76 E111 V112G71-Q74 PolarHBondContact O-NE2 3.34Å; A72-Q74 PolarHBondContact O-N 2.89Å; Q74-C76 PolarHBondContact O-N 3.38Å; Q74-E111 CarbonylContact O-C 3.35Å; Q74-E111 VanDerWaalsContact O-CA 3.29Å; Q74-E111 WeakPolarHBondContact O-CA 3.24Å; Q74-V112 PolarHBondContact N-O 2.9Å; Q74-V112 PolarHBondContact O-N 3.29Å
75K91.5Very high89.6Confident168 Ų16869.3 Ų69.373%0.7337%0.37SS*.EExtended strand (participates in β ladder)trans-66.7136.7173.4-68.7-178.6-177.9176.30109S77K75-S77 PolarHBondContact O-N 2.88Å; K75-S77 VanDerWaalsContact O-N 3.12Å
76C92.6Very high89.6Confident2 Ų272.7 Ų72.71%0.01438%0.383CS..  trans-62116.4174.9-178.70000109.6Q74 A78 C79 R80 G81 C106 G110 V112Q74-C76 PolarHBondContact O-N 3.38Å; C76-A78 PolarHBondContact O-N 3.35Å; C76-C79 VanDerWaalsContact CB-SG 3.53Å; C76-R80 WeakPolarHBondContact O-CA 3.07Å; C76-R80 PolarHBondContact O-N 3.1Å; C76-G81 PolarHBondContact O-N 3.4Å; C76-C106 HydrophobicContact CB-CB 3.75Å; C76-C106 VanDerWaalsContact SG-SG 3.68Å; C76-G110 WeakPolarHBondContact CB-O 3.33Å; C76-G110 PolarHBondContact N-O 3.44Å; C76-V112 HydrophobicContact CB-CG2 3.88Å
77S92Very high89.4Confident110 Ų11074.3 Ų74.377%0.76939%0.392SS*.THydrogen-bonded Turntrans-62.9-35.5-179.253.30000112K75K75-S77 PolarHBondContact O-N 2.88Å; K75-S77 VanDerWaalsContact O-N 3.12Å
78A90.9Very high89.3Confident31 Ų3179.7 Ų79.726%0.25642%0.419SS..THydrogen-bonded Turntrans-65.8-41.9-177.500000115.9C76 R85 D105C76-A78 PolarHBondContact O-N 3.35Å; A78-R85 VanDerWaalsContact CB-CZ 3.47Å; A78-D105 HydrophobicContact CB-CB 3.98Å; A78-D105 WeakPolarHBondContact CB-OD2 3.39Å
79C91.9Very high89.1Confident7 Ų787.2 Ų87.25%0.04745%0.447CS..THydrogen-bonded Turntrans-109.42.1175.866.10000112.8C76 G81 R82 G83 V84 C103C76-C79 VanDerWaalsContact CB-SG 3.53Å; C79-G81 PolarHBondContact O-N 2.78Å; C79-R82 HydrophobicContact CB-CB 4.44Å; C79-R82 VanDerWaalsContact O-CB 3.23Å; C79-R82 WeakPolarHBondContact O-CB 3.29Å; C79-R82 VanDerWaalsContact O-CG 3.29Å; C79-R82 WeakPolarHBondContact O-CG 3.5Å; C79-R82 PolarHBondContact O-N 3.21Å; C79-G83 PolarHBondContact SG-N 2.99Å; C79-V84 WeakPolarHBondContact CB-O 3.27Å; C79-C103 HydrophobicContact CB-CB 3.76Å
80R90.9Very high88.9Confident215 Ų21587.6 Ų87.681%0.81145%0.451SS*.THydrogen-bonded Turntrans50.640.5-176.5-56.5-178.6-174.9178.41.1112.9C76C76-R80 WeakPolarHBondContact O-CA 3.07Å; C76-R80 PolarHBondContact O-N 3.1Å
81G89.3Confident89Confident39 Ų3987 Ų8740%0.40244%0.439SS..THydrogen-bonded Turntrans83.52.5-178.400000116C76 C79 G110C76-G81 PolarHBondContact O-N 3.4Å; C79-G81 PolarHBondContact O-N 2.78Å; G81-G110 WeakPolarHBondContact CA-O 3.31Å
82R90.4Very high89.2Confident184 Ų18485.9 Ų85.969%0.69442%0.423SS*.SBendtrans-81.8-18.5-178-64.1178.1179.1-178-0.9114.3C79 V84C79-R82 HydrophobicContact CB-CB 4.44Å; C79-R82 VanDerWaalsContact O-CB 3.23Å; C79-R82 WeakPolarHBondContact O-CB 3.29Å; C79-R82 VanDerWaalsContact O-CG 3.29Å; C79-R82 WeakPolarHBondContact O-CG 3.5Å; C79-R82 PolarHBondContact O-N 3.21Å; R82-V84 HydrophobicContact CB-CG2 4.28Å; R82-V84 PolarHBondContact O-N 3.39Å
83G90.6Very high89.2Confident2 Ų291.5 Ų91.52%0.02146%0.458CS..SBendtrans72.2-12.4-172.200000114.6C79 C103 G108C79-G83 PolarHBondContact SG-N 2.99Å; G83-C103 VanDerWaalsContact O-CB 3.25Å; G83-C103 WeakPolarHBondContact O-CB 3.18Å; G83-C103 PolarHBondContact O-N 3.38Å; G83-G108 WeakPolarHBondContact O-CA 3.37Å
84V92.6Very high89Confident52 Ų5293.7 Ų93.732%0.31549%0.489SS..EExtended strand (participates in β ladder)trans-127.2145.9-178.7-64.70000111.8C79 R82 S101C79-V84 WeakPolarHBondContact CB-O 3.27Å; R82-V84 HydrophobicContact CB-CG2 4.28Å; R82-V84 PolarHBondContact O-N 3.39Å; V84-S101 CarbonylContact C-O 3.52Å; V84-S101 VanDerWaalsContact CA-O 3.29Å; V84-S101 WeakPolarHBondContact CA-O 3.34Å; V84-S101 WeakPolarHBondContact CB-O 3.27Å
85R90.4Very high88.7Confident82 Ų8293.6 Ų93.631%0.30949%0.489SS..EExtended strand (participates in β ladder)trans-108.9136.5171.8-77.4-179.3162.3153.7-11.2109.7A78 S101 C103 S104 D105A78-R85 VanDerWaalsContact CB-CZ 3.47Å; R85-S101 PolarHBondContact N-O 2.86Å; R85-S101 PolarHBondContact O-N 3.29Å; R85-S101 PolarHBondContact O-OG 2.68Å; R85-C103 HydrophobicContact CG-CB 4.19Å; R85-S104 PolarHBondContact NH1-OG 3.34Å; R85-D105 IonicContact CZ-OD1 3.68Å; R85-D105 IonicContact CZ-OD2 3.37Å; R85-D105 IonicContact NH1-OD1 2.92Å; R85-D105 PolarHBondContact NH1-OD1 3.38Å; R85-D105 IonicContact NH1-OD2 3.39Å; R85-D105 PolarHBondContact NH1-OD2 2.83Å; R85-D105 IonicContact NH2-OD1 3.66Å; R85-D105 IonicContact NH2-OD2 2.68Å; R85-D105 PolarHBondContact NH2-OD2 2.88Å
86I88.3Confident88.5Confident89 Ų8989.8 Ų89.846%0.45648%0.48SS..EExtended strand (participates in β ladder)trans-91.8115174.8-57.3172.8000107.1Q98I86-Q98 HydrophobicContact CG2-CB 4.1Å; I86-Q98 HydrophobicContact CG2-CG 4.41Å
87M85.4Confident88.2Confident117 Ų11794 Ų9458%0.57650%0.5SS*.EExtended strand (participates in β ladder)trans-101.3127.9171.5-71.2-157.1-72.200109.3M99M87-M99 PolarHBondContact N-O 2.79Å; M87-M99 PolarHBondContact O-N 3.47Å
88I86.5Confident88Confident112 Ų11295.2 Ų95.257%0.57449%0.493SS*.EExtended strand (participates in β ladder)trans-95.7114.6176.6-54-179.2000107.2V96 Q98I88-V96 HydrophobicContact CG2-CB 3.76Å; I88-V96 HydrophobicContact CG2-CG1 4.13Å; I88-V96 HydrophobicContact CG2-CG2 4.33Å; I88-Q98 HydrophobicContact CG1-CG 4.36Å
89R85.9Confident87.8Confident162 Ų16298 Ų9861%0.61150%0.502SS*.EExtended strand (participates in β ladder)trans-106.1122.6174.9-171.5174.9-176.2178.70.8109.1Q97R89-Q97 PolarHBondContact N-O 2.72Å; R89-Q97 PolarHBondContact O-N 3.12Å
90Q84.6Confident87.7Confident133 Ų133105.1 Ų105.162%0.62154%0.535SS*.EExtended strand (participates in β ladder)trans-81.3124.4174.2-166.6168.71.100109.3A92 V96Q90-A92 WeakPolarHBondContact CG-O 3.35Å; Q90-A92 PolarHBondContact NE2-O 2.89Å; Q90-V96 HydrophobicContact CB-CG1 4.34Å; Q90-V96 HydrophobicContact CG-CG1 4.19Å
91L86.6Confident87.7Confident97 Ų9796.4 Ų96.451%0.50851%0.506SS..EExtended strand (participates in β ladder)trans-100-34179.5-66171.9000111.4M95 Q97L91-M95 HydrophobicContact CB-CE 4.41Å; L91-M95 PolarHBondContact N-O 3.44Å; L91-Q97 HydrophobicContact CD1-CB 3.9Å; L91-Q97 HydrophobicContact CG-CB 4.38Å
92A87.9Confident87.9Confident37 Ų3799.3 Ų99.331%0.30652%0.516SS..EExtended strand (participates in β ladder)trans-152.6166.6177.900000110.5Q90 G94 M95Q90-A92 WeakPolarHBondContact CG-O 3.35Å; Q90-A92 PolarHBondContact NE2-O 2.89Å; A92-G94 PolarHBondContact O-N 3.12Å; A92-M95 HydrophobicContact CB-CB 3.98Å; A92-M95 PolarHBondContact N-O 3.47Å; A92-M95 PolarHBondContact O-N 3.2Å
93P86.3Confident88.1Confident129 Ų12990.6 Ų90.684%0.83848%0.483SS*.THydrogen-bonded Turntrans-53.6122.3169.8-24.134.7000110.4M95P93-M95 VanDerWaalsContact C-N 3.27Å; P93-M95 PolarHBondContact O-N 3.27Å
94G85.3Confident88.1Confident83 Ų8394.1 Ų94.186%0.85651%0.508SS*.THydrogen-bonded Turntrans78.4-4.6-176.500000116.3A92A92-G94 PolarHBondContact O-N 3.12Å
95M83.1Confident88Confident114 Ų11495.6 Ų95.656%0.56251%0.514SS*.EExtended strand (participates in β ladder)trans-117.5106.3-177.5-124.8175.868.800111.2L91 A92 P93L91-M95 HydrophobicContact CB-CE 4.41Å; L91-M95 PolarHBondContact N-O 3.44Å; A92-M95 HydrophobicContact CB-CB 3.98Å; A92-M95 PolarHBondContact N-O 3.47Å; A92-M95 PolarHBondContact O-N 3.2Å; P93-M95 VanDerWaalsContact C-N 3.27Å; P93-M95 PolarHBondContact O-N 3.27Å
96V87.2Confident88Confident88 Ų8892.1 Ų92.153%0.53350%0.502SS..EExtended strand (participates in β ladder)trans-114.4133.9178-64.50000110.9I88 Q90I88-V96 HydrophobicContact CG2-CB 3.76Å; I88-V96 HydrophobicContact CG2-CG1 4.13Å; I88-V96 HydrophobicContact CG2-CG2 4.33Å; Q90-V96 HydrophobicContact CB-CG1 4.34Å; Q90-V96 HydrophobicContact CG-CG1 4.19Å
97Q86.7Confident88.1Confident92 Ų9294.2 Ų94.243%0.4351%0.514SS..EExtended strand (participates in β ladder)trans-104.1125.5173.3-172.1177.720.500109.5R89 L91 M99R89-Q97 PolarHBondContact N-O 2.72Å; R89-Q97 PolarHBondContact O-N 3.12Å; L91-Q97 HydrophobicContact CD1-CB 3.9Å; L91-Q97 HydrophobicContact CG-CB 4.38Å; Q97-M99 HydrophobicContact CG-CG 4.23Å
98Q87.4Confident88.2Confident135 Ų13590.4 Ų90.463%0.63151%0.505SS*.EExtended strand (participates in β ladder)trans-87.6113170.1-63.1-170.9100109.2I86 I88I86-Q98 HydrophobicContact CG2-CB 4.1Å; I86-Q98 HydrophobicContact CG2-CG 4.41Å; I88-Q98 HydrophobicContact CG1-CG 4.36Å
99M87.2Confident88.4Confident89 Ų8990.6 Ų90.644%0.43850%0.503SS..EExtended strand (participates in β ladder)trans-101.5130.3173.8-64.8-172.775.800109.8M87 Q97M87-M99 PolarHBondContact N-O 2.79Å; M87-M99 PolarHBondContact O-N 3.47Å; Q97-M99 HydrophobicContact CG-CG 4.23Å
100Q89.3Confident88.6Confident157 Ų15783 Ų8373%0.73448%0.476SS*.EExtended strand (participates in β ladder)trans-86.2123.1169.4-65.6-17728.300108.7
101S91.2Very high88.9Confident31 Ų3179.9 Ų79.922%0.21746%0.461CS..EExtended strand (participates in β ladder)trans-116.4146.9175.4580000109.3V84 R85 C103V84-S101 CarbonylContact C-O 3.52Å; V84-S101 VanDerWaalsContact CA-O 3.29Å; V84-S101 WeakPolarHBondContact CA-O 3.34Å; V84-S101 WeakPolarHBondContact CB-O 3.27Å; R85-S101 PolarHBondContact N-O 2.86Å; R85-S101 PolarHBondContact O-N 3.29Å; R85-S101 PolarHBondContact O-OG 2.68Å; S101-C103 PolarHBondContact O-N 3.39Å
102V93.4Very high89.1Confident101 Ų10177.8 Ų77.861%0.61245%0.452SS*.EExtended strand (participates in β ladder)trans-62.7134.1171.8-179.80000108.1S104V102-S104 PolarHBondContact O-N 2.92Å; V102-S104 VanDerWaalsContact O-N 3.14Å
103C93.6Very high89.2Confident0 Ų076.5 Ų76.50%044%0.44CS..  trans-66.3115.9177.8-178.90000109.4C79 G83 R85 S101 D105 C106 N107 G108C79-C103 HydrophobicContact CB-CB 3.76Å; G83-C103 VanDerWaalsContact O-CB 3.25Å; G83-C103 WeakPolarHBondContact O-CB 3.18Å; G83-C103 PolarHBondContact O-N 3.38Å; R85-C103 HydrophobicContact CG-CB 4.19Å; S101-C103 PolarHBondContact O-N 3.39Å; C103-D105 PolarHBondContact O-N 3.02Å; C103-C106 PolarHBondContact O-N 3.48Å; C103-N107 VanDerWaalsContact O-CA 3.24Å; C103-N107 WeakPolarHBondContact O-CA 3.27Å; C103-N107 PolarHBondContact O-N 3.14Å; C103-G108 PolarHBondContact O-N 3.38Å
104S91.3Very high89.4Confident76 Ų7675.2 Ų75.253%0.53143%0.426SS..THydrogen-bonded Turntrans-58.3-34.5177.450.10000113.2R85 V102 C106 N107R85-S104 PolarHBondContact NH1-OG 3.34Å; V102-S104 PolarHBondContact O-N 2.92Å; V102-S104 VanDerWaalsContact O-N 3.14Å; S104-C106 VanDerWaalsContact C-N 3.33Å; S104-C106 PolarHBondContact O-N 3.43Å; S104-N107 PolarHBondContact O-OD1 2.82Å
105D90.5Very high89.4Confident84 Ų8478.8 Ų78.845%0.44942%0.421SS..THydrogen-bonded Turntrans-76.2-24.5-170.5-55.58.2000112.1A78 R85 C103A78-D105 HydrophobicContact CB-CB 3.98Å; A78-D105 WeakPolarHBondContact CB-OD2 3.39Å; R85-D105 IonicContact CZ-OD1 3.68Å; R85-D105 IonicContact CZ-OD2 3.37Å; R85-D105 IonicContact NH1-OD1 2.92Å; R85-D105 PolarHBondContact NH1-OD1 3.38Å; R85-D105 IonicContact NH1-OD2 3.39Å; R85-D105 PolarHBondContact NH1-OD2 2.83Å; R85-D105 IonicContact NH2-OD1 3.66Å; R85-D105 IonicContact NH2-OD2 2.68Å; R85-D105 PolarHBondContact NH2-OD2 2.88Å; C103-D105 PolarHBondContact O-N 3.02Å
106C90Very high89.7Confident8 Ų882.6 Ų82.65%0.05443%0.434CS..THydrogen-bonded Turntrans-124.48.6176.167.40000113.7C76 C103 S104 G108 E109 G110 E111 V112C76-C106 HydrophobicContact CB-CB 3.75Å; C76-C106 VanDerWaalsContact SG-SG 3.68Å; C103-C106 PolarHBondContact O-N 3.48Å; S104-C106 VanDerWaalsContact C-N 3.33Å; S104-C106 PolarHBondContact O-N 3.43Å; C106-G108 PolarHBondContact O-N 3.34Å; C106-E109 WeakPolarHBondContact O-CB 3.32Å; C106-E109 PolarHBondContact O-N 2.98Å; C106-G110 PolarHBondContact SG-N 2.99Å; C106-E111 WeakPolarHBondContact CB-O 3.22Å; C106-V112 HydrophobicContact CB-CG2 3.9Å
107N90.1Very high89.8Confident133 Ų13380.4 Ų80.471%0.71142%0.419SS*.THydrogen-bonded Turntrans46.336.2-176.9-62.7-50.2000114.9C103 S104C103-N107 VanDerWaalsContact O-CA 3.24Å; C103-N107 WeakPolarHBondContact O-CA 3.27Å; C103-N107 PolarHBondContact O-N 3.14Å; S104-N107 PolarHBondContact O-OD1 2.82Å
108G89.2Confident90Very high38 Ų3881.5 Ų81.539%0.39242%0.42SS..THydrogen-bonded Turntrans88.6-9.1-178.400000116.4G83 C103 C106 G110G83-G108 WeakPolarHBondContact O-CA 3.37Å; C103-G108 PolarHBondContact O-N 3.38Å; C106-G108 PolarHBondContact O-N 3.34Å; G108-G110 VanDerWaalsContact C-N 3.34Å; G108-G110 PolarHBondContact O-N 3.24Å
109E89.2Confident90.2Very high115 Ų11575.8 Ų75.854%0.53739%0.394SS..SBendtrans-73.4-24.4-177.5-62.8-164.7160.600113.5C106 E111C106-E109 WeakPolarHBondContact O-CB 3.32Å; C106-E109 PolarHBondContact O-N 2.98Å; E109-E111 PolarHBondContact O-N 2.95Å
110G89.9Confident90.4Very high3 Ų381.2 Ų81.23%0.03142%0.415CS..SBendtrans76.6-9.5-175.700000114.1C76 G81 C106 G108C76-G110 WeakPolarHBondContact CB-O 3.33Å; C76-G110 PolarHBondContact N-O 3.44Å; G81-G110 WeakPolarHBondContact CA-O 3.31Å; C106-G110 PolarHBondContact SG-N 2.99Å; G108-G110 VanDerWaalsContact C-N 3.34Å; G108-G110 PolarHBondContact O-N 3.24Å
111E91Very high90.5Very high68 Ų6880.5 Ų80.532%0.31841%0.41SS..EExtended strand (participates in β ladder)trans-122.1153.6177.8-65.1174.6165.200109.7V73 Q74 C106 E109 K126V73-E111 HydrophobicContact CG1-CB 3.81Å; V73-E111 VanDerWaalsContact CG1-CD 3.42Å; V73-E111 HydrophobicContact CG1-CG 3.89Å; V73-E111 VanDerWaalsContact CG1-OE2 3.27Å; V73-E111 WeakPolarHBondContact CG1-OE2 3.26Å; Q74-E111 CarbonylContact O-C 3.35Å; Q74-E111 VanDerWaalsContact O-CA 3.29Å; Q74-E111 WeakPolarHBondContact O-CA 3.24Å; C106-E111 WeakPolarHBondContact CB-O 3.22Å; E109-E111 PolarHBondContact O-N 2.95Å; E111-K126 IonicContact OE2-NZ 2.86Å; E111-K126 PolarHBondContact OE2-NZ 3.06Å
112V90.9Very high90.5Very high53 Ų5379.3 Ų79.332%0.32140%0.401SS..EExtended strand (participates in β ladder)trans-129.1135.8176.1-178.50000107.8Q74 C76 C106Q74-V112 PolarHBondContact N-O 2.9Å; Q74-V112 PolarHBondContact O-N 3.29Å; C76-V112 HydrophobicContact CB-CG2 3.88Å; C106-V112 HydrophobicContact CB-CG2 3.9Å
113I90.8Very high90.4Very high10 Ų1080.7 Ų80.75%0.05140%0.401CS..EExtended strand (participates in β ladder)trans-122.7123177.9-55169.3000107.7V73 R118V73-I113 HydrophobicContact CG2-CD1 4.13Å; V73-I113 HydrophobicContact CG2-CG1 4.14Å; I113-R118 HydrophobicContact CB-CG 4.24Å; I113-R118 HydrophobicContact CG2-CG 3.77Å; I113-R118 PolarHBondContact O-NE 3.19Å
114N89.4Confident90.1Very high101 Ų10181 Ų8154%0.5441%0.405SS..  trans-56.8137.1174.3-70.1-27.5000110.2K116 D117 R118N114-K116 PolarHBondContact O-N 3.43Å; N114-K116 VanDerWaalsContact O-N 3.15Å; N114-D117 PolarHBondContact O-N 3Å; N114-R118 PolarHBondContact O-N 2.69Å
115E86.8Confident90Very high158 Ų15883.9 Ų83.974%0.73841%0.408SS*.G310 helixtrans-55.4-38-175.3-66.3-174.8155.200113.2D117 R118E115-D117 PolarHBondContact O-N 2.8Å; E115-R118 PolarHBondContact O-N 2.85Å
116K87.8Confident90Very high195 Ų19582.4 Ų82.485%0.84840%0.397SS*.G310 helixtrans-62.7-25.5178.4-62.3-177.3-178.6179.50113.7N114N114-K116 PolarHBondContact O-N 3.43Å; N114-K116 VanDerWaalsContact O-N 3.15Å
117D90Very high90.1Very high41 Ų4184.8 Ų84.822%0.21941%0.411CS..G310 helixtrans-110.33.8-174.9-60.4-49.3000113.1G68 K69 A72 N114 E115G68-D117 CarbonylContact C-O 3.56Å; G68-D117 WeakPolarHBondContact CA-O 3.29Å; K69-D117 HydrophobicContact CB-CB 4.49Å; K69-D117 HydrophobicContact CD-CB 4.41Å; K69-D117 WeakPolarHBondContact CD-OD1 3.43Å; K69-D117 HydrophobicContact CG-CB 4.49Å; K69-D117 PolarHBondContact N-O 3.11Å; K69-D117 IonicContact NZ-OD1 2.8Å; K69-D117 PolarHBondContact NZ-OD1 3.23Å; A72-D117 HydrophobicContact CB-CB 3.45Å; A72-D117 VanDerWaalsContact CB-CB 3.45Å; N114-D117 PolarHBondContact O-N 3Å; E115-D117 PolarHBondContact O-N 2.8Å
118R91.1Very high90.3Very high116 Ų11680.7 Ų80.744%0.43839%0.389SS..BIsolated β-bridgetrans-62.4140.9171.4-71.2-176.4-175.8-176.73.5110.2I113 N114 E115 K120I113-R118 HydrophobicContact CB-CG 4.24Å; I113-R118 HydrophobicContact CG2-CG 3.77Å; I113-R118 PolarHBondContact O-NE 3.19Å; N114-R118 PolarHBondContact O-N 2.69Å; E115-R118 PolarHBondContact O-N 2.85Å; R118-K120 PolarHBondContact O-N 2.76Å
119C92.5Very high90.4Very high14 Ų1486 Ų8610%0.09540%0.401CS..  trans-65122175.2176.60000109.3C63 G67 K121 C122 E123C63-C119 HydrophobicContact CB-CB 3.87Å; G67-C119 VanDerWaalsContact O-CB 3.3Å; G67-C119 WeakPolarHBondContact O-CB 3.21Å; G67-C119 PolarHBondContact O-N 2.86Å; C119-K121 PolarHBondContact O-N 2.72Å; C119-C122 VanDerWaalsContact CB-SG 3.56Å; C119-C122 PolarHBondContact O-N 2.85Å; C119-E123 VanDerWaalsContact O-CA 3.26Å; C119-E123 WeakPolarHBondContact O-CA 3.05Å; C119-E123 PolarHBondContact O-N 3.02Å
120K91.4Very high90.5Very high204 Ų20484.6 Ų84.689%0.88740%0.395SS*.THydrogen-bonded Turntrans-64.3-23.4-179.6-62.8-176.1179.1-176.70113.8R118R118-K120 PolarHBondContact O-N 2.76Å
121K91.7Very high90.5Very high142 Ų14288 Ų8862%0.61742%0.415SS*.THydrogen-bonded Turntrans-82.1-33.9-179.2-68-160.2-170.6178.40114.2A62 C119A62-K121 HydrophobicContact CB-CB 4.33Å; A62-K121 HydrophobicContact CB-CD 3.68Å; A62-K121 HydrophobicContact CB-CG 4.04Å; C119-K121 PolarHBondContact O-N 2.72Å
122C90.9Very high90.3Very high6 Ų690 Ų904%0.04142%0.423CS..THydrogen-bonded Turntrans-116.1-1.3-178.966.90000113.5C60 C119 G124 K125 V127 I128C60-C122 HydrophobicContact CB-CB 3.82Å; C119-C122 VanDerWaalsContact CB-SG 3.56Å; C119-C122 PolarHBondContact O-N 2.85Å; C122-G124 PolarHBondContact O-N 2.81Å; C122-G124 VanDerWaalsContact O-N 3.12Å; C122-K125 WeakPolarHBondContact O-CB 3.35Å; C122-K125 WeakPolarHBondContact O-CG 3.4Å; C122-K125 PolarHBondContact O-N 3.45Å; C122-V127 WeakPolarHBondContact CB-O 3.35Å; C122-I128 HydrophobicContact CB-CG2 3.95Å
123E89.6Confident90.1Very high129 Ų12992.8 Ų92.860%0.60343%0.434SS*.THydrogen-bonded Turntrans55.828.5178.6-55.6175.4155.200113.8C119 K125C119-E123 VanDerWaalsContact O-CA 3.26Å; C119-E123 WeakPolarHBondContact O-CA 3.05Å; C119-E123 PolarHBondContact O-N 3.02Å; E123-K125 IonicContact OE2-NZ 3.4Å
124G87.6Confident89.7Confident8 Ų898.6 Ų98.68%0.08247%0.465CS..THydrogen-bonded Turntrans93.5-12.7-174.300000114.9G67 C122 K126G67-G124 WeakPolarHBondContact O-CA 3.33Å; C122-G124 PolarHBondContact O-N 2.81Å; C122-G124 VanDerWaalsContact O-N 3.12Å; G124-K126 PolarHBondContact O-N 2.81Å; G124-K126 VanDerWaalsContact O-N 3.1Å
125K89.1Confident89.7Confident136 Ų13698.5 Ų98.559%0.59146%0.461SS*.SBendtrans-71.6-4.7-175.6-60.9173.1-178.2159.20114.8C122 E123 V127C122-K125 WeakPolarHBondContact O-CB 3.35Å; C122-K125 WeakPolarHBondContact O-CG 3.4Å; C122-K125 PolarHBondContact O-N 3.45Å; E123-K125 IonicContact OE2-NZ 3.4Å; K125-V127 PolarHBondContact O-N 3.36Å
126K90.7Very high89.9Confident53 Ų5395.4 Ų95.423%0.2345%0.447CS..SBendtrans64.9-21.6179.4-56.4176.6176.9-179.20115.4C60 G65 Q66 E111 G124C60-K126 VanDerWaalsContact CB-O 3.27Å; C60-K126 WeakPolarHBondContact CB-O 3.24Å; C60-K126 PolarHBondContact N-O 3.47Å; G65-K126 VanDerWaalsContact O-CB 3.32Å; G65-K126 WeakPolarHBondContact O-CB 3.13Å; G65-K126 VanDerWaalsContact O-CD 3.31Å; G65-K126 WeakPolarHBondContact O-CD 3.26Å; G65-K126 VanDerWaalsContact O-CG 3.22Å; G65-K126 WeakPolarHBondContact O-CG 3.33Å; Q66-K126 WeakPolarHBondContact O-CE 3.18Å; E111-K126 IonicContact OE2-NZ 2.86Å; E111-K126 PolarHBondContact OE2-NZ 3.06Å; G124-K126 PolarHBondContact O-N 2.81Å; G124-K126 VanDerWaalsContact O-N 3.1Å
127V92.9Very high90Very high57 Ų5789.8 Ų89.835%0.34542%0.424SS..EExtended strand (participates in β ladder)trans-118.1158178.7-62.50000112.1V58 L59 C122 K125V58-V127 CarbonylContact O-C 3.5Å; V58-V127 WeakPolarHBondContact O-CA 3.34Å; V58-V127 WeakPolarHBondContact O-CB 3.13Å; L59-V127 HydrophobicContact CD2-CG1 4.39Å; C122-V127 WeakPolarHBondContact CB-O 3.35Å; K125-V127 PolarHBondContact O-N 3.36Å
128I93.9Very high90Very high48 Ų4892.7 Ų92.725%0.24644%0.436CS..EExtended strand (participates in β ladder)trans-129.2149.417259.9177.5000109.3N57 V58 C60 C122N57-I128 WeakPolarHBondContact CA-O 3.25Å; V58-I128 HydrophobicContact CG2-CD1 4.21Å; V58-I128 HydrophobicContact CG2-CG1 3.61Å; V58-I128 PolarHBondContact N-O 2.96Å; V58-I128 PolarHBondContact O-N 2.97Å; C60-I128 HydrophobicContact CB-CG2 4.01Å; C122-I128 HydrophobicContact CB-CG2 3.95Å
129K91.6Very high89.9Confident149 Ų14991.3 Ų91.365%0.64844%0.436SS*.EExtended strand (participates in β ladder)trans-83.7118.6175.6-168.5173.4-179.3177.50108.8S55S55-K129 VanDerWaalsContact OG-CE 3.26Å; S55-K129 WeakPolarHBondContact OG-CE 3.29Å
130E90.8Very high89.8Confident86 Ų8696.4 Ų96.440%0.40246%0.459SS..EExtended strand (participates in β ladder)trans-111.7133.6177.2-172.8-177-155.900109.2S55 K56 V58S55-E130 CarbonylContact C-O 3.52Å; S55-E130 WeakPolarHBondContact CA-O 3.44Å; K56-E130 WeakPolarHBondContact CE-OE2 3.29Å; K56-E130 PolarHBondContact N-O 3.34Å; K56-E130 IonicContact NZ-OE2 3.29Å; K56-E130 PolarHBondContact NZ-OE2 3.03Å; K56-E130 PolarHBondContact O-N 3.17Å; V58-E130 HydrophobicContact CG1-CB 4.23Å; V58-E130 WeakPolarHBondContact CG1-OE2 3.23Å; V58-E130 HydrophobicContact CG2-CB 3.76Å
131V90.3Very high89.6Confident75 Ų7588.7 Ų88.746%0.45543%0.429SS..EExtended strand (participates in β ladder)trans-99.9119.91751770000107.9Q53 L54Q53-V131 HydrophobicContact CG-CG1 3.29Å; Q53-V131 VanDerWaalsContact NE2-CG1 3.3Å; L54-V131 CarbonylContact O-C 3.59Å; L54-V131 WeakPolarHBondContact O-CA 3.48Å
132K87.4Confident89.5Confident110 Ų11084.6 Ų84.648%0.47841%0.414SS..EExtended strand (participates in β ladder)trans-115.1129.2175.5-171173.2-178.3-176.70109.4L54 L134L54-K132 PolarHBondContact N-O 3.49Å; L54-K132 PolarHBondContact O-N 3.15Å; K132-L134 HydrophobicContact CD-CD2 4.03Å; K132-L134 HydrophobicContact CG-CD2 4.22Å
133I86.8Confident89.4Confident111 Ų11191.2 Ų91.257%0.56945%0.445SS*.EExtended strand (participates in β ladder)trans-88.3124.2169.7-56.5173.5000107K51 L52K51-I133 HydrophobicContact CB-CG2 3.94Å; K51-I133 HydrophobicContact CD-CG2 4.44Å; K51-I133 HydrophobicContact CG-CG2 4.48Å; L52-I133 CarbonylContact O-C 3.42Å; L52-I133 VanDerWaalsContact O-CA 3.31Å; L52-I133 WeakPolarHBondContact O-CA 3.44Å
134L81.9Confident89.4Confident132 Ų13287.7 Ų87.769%0.69143%0.431SS*.  trans-103.10169.8-63.1-175.5000110.3K51 L52 L54 K132K51-L134 CarbonylContact C-O 3.58Å; K51-L134 VanDerWaalsContact CA-O 3.32Å; K51-L134 WeakPolarHBondContact CA-O 3.44Å; L52-L134 HydrophobicContact CB-CB 4.5Å; L52-L134 PolarHBondContact N-O 3.14Å; L52-L134 PolarHBondContact O-N 3.31Å; L54-L134 HydrophobicContact CD1-CD1 3.44Å; L54-L134 VanDerWaalsContact CD1-CD1 3.44Å; L54-L134 HydrophobicContact CD1-CG 4.12Å; K132-L134 HydrophobicContact CD-CD2 4.03Å; K132-L134 HydrophobicContact CG-CD2 4.22Å

Retrieved 134 of 134 residues in 46.6 ms (Link to these results)