A0A087X7T4_POEFO Loading...

Epstein-Barr virus induced 3

AlphaFold DB , UniProt , Accession A0A087X7T4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 249 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
1M42.3Very low38.4Very low247 Ų247141.2 Ų141.2100%1.21782%0.817SS**  0107.30-79.6179.9-86.300107.1
2A35.8Very low38Very low104 Ų104141.3 Ų141.386%0.8681%0.811SS**  trans-76.2128.7-174.700000110.2
3G37.9Very low38.2Very low75 Ų75141.9 Ų141.977%0.77381%0.808SS**  trans-98.6112172.800000109.8
4T39.4Very low38.1Very low118 Ų118142.7 Ų142.772%0.72481%0.807SS**PPolyproline II helixtrans-82.9120178.4-46.50000109.4
5V39.3Very low38Very low125 Ų125137.7 Ų137.776%0.75880%0.799SS**PPolyproline II helixtrans-94.1121.8172.91780000108.4V7V5-V7 HydrophobicContact CG1-CG2 4.45Å
6Y37.5Very low38.4Very low211 Ų211138.8 Ų138.883%0.82781%0.808SS**PPolyproline II helixtrans-81.9121.4172.8-80.8-95.4000109.4
7V39Very low38.4Very low123 Ų123134.8 Ų134.875%0.74580%0.804SS**  trans-106.8113.1170.6-1790000107.9V5V5-V7 HydrophobicContact CG1-CG2 4.45Å
8T36.5Very low39.2Very low135 Ų135133.4 Ų133.483%0.82880%0.802SS**  trans-81.3108.9175.519.80000109.9
9T36.6Very low39.6Very low125 Ų125136.6 Ų136.677%0.76781%0.807SS**  trans-86.8111.1176.1-20.40000109.8I11T9-I11 PolarHBondContact O-N 3.25Å
10I40.9Very low39.8Very low150 Ų150134.6 Ų134.677%0.76981%0.807SS**  trans-81.2113.4172.8-65.2174.6000108.2L12I10-L12 PolarHBondContact O-N 3.49Å
11I37.4Very low39.7Very low140 Ų140136.8 Ų136.872%0.71881%0.814SS**  trans-84.8107.8173.4-60.6174000107.7T9 I13T9-I11 PolarHBondContact O-N 3.25Å; I11-I13 HydrophobicContact CG2-CG1 3.87Å; I11-I13 PolarHBondContact O-N 2.82Å
12L33.8Very low39.9Very low143 Ų143132.1 Ų132.175%0.74979%0.794SS**  trans-79.595.5170.3-107.3144.6000108.8I10 L14I10-L12 PolarHBondContact O-N 3.49Å; L12-L14 HydrophobicContact CD2-CD2 4.42Å; L12-L14 PolarHBondContact O-N 2.91Å
13I40.1Very low40.1Very low149 Ų149135.4 Ų135.476%0.76480%0.796SS**  trans-81.197170.4-42.6167.8000106.4I11 G15I11-I13 HydrophobicContact CG2-CG1 3.87Å; I11-I13 PolarHBondContact O-N 2.82Å; I13-G15 PolarHBondContact O-N 2.93Å
14L37.2Very low40.5Very low153 Ų153139.8 Ų139.880%0.80180%0.801SS**  trans-77.8102.8170.1-74.1170.6000108.3L12L12-L14 HydrophobicContact CD2-CD2 4.42Å; L12-L14 PolarHBondContact O-N 2.91Å
15G37Very low40.5Very low67 Ų67143.1 Ų143.169%0.69181%0.805SS**  trans-62.4142.9173.300000111.8I13 G17I13-G15 PolarHBondContact O-N 2.93Å; G15-G17 PolarHBondContact O-N 3.28Å; G15-G17 VanDerWaalsContact O-N 3.07Å
16V44.5Very low40.5Very low155 Ų155141 Ų14194%0.93980%0.8SS**  trans-60.6105.7175.7-177.60000109.2
17G38Very low40.6Very low71 Ų71136.1 Ų136.173%0.73279%0.793SS**  trans-118.2103170.100000109G15 Q19G15-G17 PolarHBondContact O-N 3.28Å; G15-G17 VanDerWaalsContact O-N 3.07Å; G17-Q19 PolarHBondContact O-N 3.15Å
18S53.2Low40.8Very low111 Ų111135.4 Ų135.478%0.77679%0.793SS**  trans-67.2113.3176.244.20000111.4
19Q46.8Very low41.4Very low193 Ų193133.3 Ų133.390%0.90278%0.78SS**  trans-173.6132.5145.9-105.9160.110.700111.8G17G17-Q19 PolarHBondContact O-N 3.15Å
20A42.6Very low42Very low97 Ų97135.2 Ų135.280%0.80279%0.785SS**  trans65.573.5166.200000117.9
21L37.1Very low42.7Very low181 Ų181129.2 Ų129.295%0.94876%0.76SS**  trans-127.247.6150.9-129.2116.5000110
22D47.2Very low43.8Very low149 Ų149129.6 Ų129.680%0.79776%0.764SS**  trans-129.396170-97.4-34.5000106.8
23L41.3Very low45.1Very low173 Ų173127.3 Ų127.391%0.90676%0.757SS**SBendtrans175.667.4154.1-94.7168.5000108
24L44.4Very low46.4Very low166 Ų166121 Ų12187%0.86973%0.726SS**  trans-168.951.9150.8-100.7168.5000108A26L24-A26 PolarHBondContact O-N 3.25Å; L24-A26 VanDerWaalsContact O-N 3.08Å
25K39.9Very low48.2Very low188 Ų188117.9 Ų117.982%0.81772%0.717SS**  trans-81.476.1157.3-151.2172.6-168.31750106T27K25-T27 PolarHBondContact O-N 2.88Å
26A40.6Very low50.2Low80 Ų80119.2 Ų119.266%0.66171%0.712SS**  trans-61.993.4156.900000104.9L24 S28L24-A26 PolarHBondContact O-N 3.25Å; L24-A26 VanDerWaalsContact O-N 3.08Å; A26-S28 PolarHBondContact O-N 3.01Å
27T39.8Very low52Low110 Ų110112.2 Ų112.268%0.67567%0.67SS**  trans-61.890.5161.836.40000105.4K25 V29K25-T27 PolarHBondContact O-N 2.88Å; T27-V29 PolarHBondContact O-N 2.88Å
28S42.7Very low54.3Low107 Ų107117 Ų11775%0.74867%0.671SS**  trans-62.588.9161.258.60000105.4A26 L30A26-S28 PolarHBondContact O-N 3.01Å; S28-L30 PolarHBondContact O-N 2.98Å
29V48Very low56.2Low91 Ų91113 Ų11355%0.55264%0.641SS**  trans-62.499155.6-179.40000102.9T27 G31T27-V29 PolarHBondContact O-N 2.88Å; V29-G31 PolarHBondContact O-N 2.79Å
30L50.1Low58.5Low165 Ų165107.9 Ų107.986%0.86462%0.617SS**  trans-68.571.3168.8-176.269.5000106S28S28-L30 PolarHBondContact O-N 2.98Å
31G56Low61Low25 Ų25104.2 Ų104.226%0.25859%0.586SS.*PPolyproline II helixtrans-77.5133.4166.300000106.9V29V29-G31 PolarHBondContact O-N 2.79Å
32D59.9Low63.8Low148 Ų14898 Ų9879%0.79155%0.549SS*.PPolyproline II helixtrans-52.6142.3172-68-47.9000109.8
33P61Low66Low94 Ų9490.9 Ų90.961%0.6151%0.511SS*.PPolyproline II helixtrans-57.5145.1175.325.6-33.5000109.3
34P66.8Low68.2Low16 Ų1683.1 Ų83.110%0.10447%0.472CS..PPolyproline II helixtrans-61.2146.2-176.423.9-33.6000112.2T36 A125 H127 S132P34-T36 PolarHBondContact O-N 3.34Å; P34-A125 HydrophobicContact CB-CB 4.43Å; P34-A125 HydrophobicContact CG-CB 4.25Å; P34-H127 WeakPolarHBondContact CB-CE1 3.3Å; P34-H127 VanDerWaalsContact CB-ND1 3.33Å; P34-H127 WeakPolarHBondContact CB-ND1 3.43Å; P34-H127 HydrophobicContact CG-CB 4.44Å; P34-H127 VanDerWaalsContact CG-ND1 3.29Å; P34-H127 WeakPolarHBondContact CG-ND1 3.35Å; P34-S132 WeakPolarHBondContact CG-OG 3.49Å; P34-S132 WeakPolarHBondContact O-CB 3.3Å; P34-S132 PolarHBondContact O-OG 3.11Å
35S76.3Confident70.2Confident89 Ų8975.7 Ų75.762%0.62243%0.433SS*.PPolyproline II helixtrans-55.1141.9172.255.60000109.9P37 S132S35-P37 WeakPolarHBondContact O-CD 3.3Å; S35-S132 PolarHBondContact O-OG 3.08Å
36T78.7Confident72.6Confident94 Ų9467.1 Ų67.158%0.57740%0.396SS*.PPolyproline II helixtrans-64127.9177.443.90000109.1P34 K38P34-T36 PolarHBondContact O-N 3.34Å; T36-K38 PolarHBondContact O-N 2.84Å
37P81.6Confident74.8Confident8 Ų864.5 Ų64.55%0.05237%0.372CS..PPolyproline II helixtrans-58.3130.3179.8-26.435.8000111.1S35 V39 W54 Y65 I123 A125 H134S35-P37 WeakPolarHBondContact O-CD 3.3Å; P37-V39 HydrophobicContact CB-CG2 4.01Å; P37-V39 PolarHBondContact O-N 2.81Å; P37-W54 HydrophobicContact CB-CB 4.23Å; P37-W54 HydrophobicContact CB-CG 4.16Å; P37-Y65 HydrophobicContact CG-CE1 3.94Å; P37-I123 HydrophobicContact CB-CG2 4.35Å; P37-I123 HydrophobicContact CG-CG2 4.27Å; P37-A125 HydrophobicContact CG-CB 4.17Å; P37-H134 HydrophobicContact CB-CB 4.44Å; P37-H134 PolarHBondContact O-ND1 3.26Å
38K87.5Confident76.9Confident173 Ų17363.2 Ų63.275%0.75236%0.361SS*.  trans-85.490.9171.9-68.3-177.7-177.7176.60108.4T36 W54T36-K38 PolarHBondContact O-N 2.84Å; K38-W54 WeakPolarHBondContact O-CB 3.39Å
39V92.8Very high78.9Confident26 Ų2660.1 Ų60.116%0.15834%0.337CS..  trans-87.2133.1-174.6-1760000110.2P37 C52 S53 W54 L121 I123 H134P37-V39 HydrophobicContact CB-CG2 4.01Å; P37-V39 PolarHBondContact O-N 2.81Å; V39-C52 HydrophobicContact CG1-CB 4.07Å; V39-S53 WeakPolarHBondContact CA-O 3.37Å; V39-W54 HydrophobicContact CG1-CE3 4.46Å; V39-W54 HydrophobicContact CG2-CB 4.34Å; V39-W54 HydrophobicContact CG2-CE3 4.42Å; V39-L121 HydrophobicContact CG1-CD2 4.09Å; V39-I123 HydrophobicContact CB-CD1 4.07Å; V39-I123 HydrophobicContact CG1-CD1 3.45Å; V39-I123 VanDerWaalsContact CG1-CD1 3.45Å; V39-I123 HydrophobicContact CG2-CB 4.3Å; V39-I123 HydrophobicContact CG2-CD1 3.42Å; V39-I123 VanDerWaalsContact CG2-CD1 3.42Å; V39-I123 HydrophobicContact CG2-CG1 4.45Å; V39-H134 HydrophobicContact CG2-CB 3.86Å; V39-H134 VanDerWaalsContact CG2-CD2 3.46Å; V39-H134 WeakPolarHBondContact CG2-CD2 3.1Å
40H94.3Very high81Confident85 Ų8555.8 Ų55.839%0.39431%0.311SS..EExtended strand (participates in β ladder)trans-122.5126170.8178.7-88.1000109.4W42 C52 S53H40-W42 AromaticContact CE1-CE3 3.9Å; H40-W42 AromaticContact ND1-CE3 3.35Å; H40-W42 VanDerWaalsContact ND1-CE3 3.35Å; H40-W42 AromaticContact ND1-CZ3 3.87Å; H40-C52 CarbonylContact O-C 3.57Å; H40-C52 VanDerWaalsContact O-CA 3.24Å; H40-C52 WeakPolarHBondContact O-CA 3.42Å; H40-S53 PolarHBondContact N-O 3.27Å; H40-S53 PolarHBondContact O-N 3.07Å
41C95.1Very high83Confident21 Ų2150.9 Ų50.914%0.14228%0.283CS..EExtended strand (participates in β ladder)trans-115.5141.8178.7-61.60000111.1F51 C52 L121 I143C41-F51 CarbonylContact C-O 3.58Å; C41-F51 VanDerWaalsContact CA-O 3.22Å; C41-F51 WeakPolarHBondContact CA-O 3.36Å; C41-C52 HydrophobicContact CB-CB 4.12Å; C41-C52 WeakPolarHBondContact CB-SG 3.26Å; C41-C52 WeakPolarHBondContact SG-CB 3.06Å; C41-C52 CovalentContact SG-SG 2.04Å; C41-C52 PolarHBondContact SG-SG 2.92Å; C41-L121 WeakPolarHBondContact SG-CD2 3.38Å; C41-I143 HydrophobicContact CB-CD1 4.33Å
42W95.1Very high84.9Confident50 Ų5049.7 Ų49.719%0.18927%0.271CS..EExtended strand (participates in β ladder)trans-151.5158.8176.673.1104000112.2H40 T50 F51 S53 I143 K145H40-W42 AromaticContact CE1-CE3 3.9Å; H40-W42 AromaticContact ND1-CE3 3.35Å; H40-W42 VanDerWaalsContact ND1-CE3 3.35Å; H40-W42 AromaticContact ND1-CZ3 3.87Å; W42-T50 WeakPolarHBondContact O-CA 3.49Å; W42-F51 HydrophobicContact CD2-CB 4.27Å; W42-F51 HydrophobicContact CE3-CB 4.33Å; W42-F51 HydrophobicContact CH2-CB 3.91Å; W42-F51 HydrophobicContact CZ2-CB 3.82Å; W42-F51 HydrophobicContact CZ2-CD2 4.36Å; W42-F51 HydrophobicContact CZ2-CG 4.41Å; W42-F51 HydrophobicContact CZ3-CB 4.15Å; W42-F51 PolarHBondContact N-O 2.93Å; W42-F51 PolarHBondContact O-N 2.77Å; W42-S53 WeakPolarHBondContact CZ3-OG 3.3Å; W42-I143 CarbonylContact C-O 3.51Å; W42-I143 VanDerWaalsContact CA-O 3.24Å; W42-I143 WeakPolarHBondContact CA-O 3.47Å; W42-K145 HydrophobicContact CB-CB 4.1Å; W42-K145 HydrophobicContact CB-CD 4.48Å
43C93.6Very high86.5Confident0 Ų043.2 Ų43.20%024%0.237CC..EExtended strand (participates in β ladder)trans-120.1106.1173.9-174.60000109.7V49 L140 I143 K145C43-V49 VanDerWaalsContact CA-O 3.26Å; C43-V49 WeakPolarHBondContact CA-O 3.28Å; C43-V49 PolarHBondContact SG-O 2.84Å; C43-L140 HydrophobicContact CB-CD2 4.47Å; C43-I143 HydrophobicContact CB-CG1 4.37Å; C43-I143 PolarHBondContact N-O 3.13Å; C43-K145 CarbonylContact O-C 3.49Å; C43-K145 PolarHBondContact O-N 2.94Å
44S88.3Confident88Confident10 Ų1038.8 Ų38.87%0.0721%0.208CC..EExtended strand (participates in β ladder)trans-86.5-20.5-177.5600000114.1V49 K145S44-V49 PolarHBondContact N-O 2.99Å; S44-K145 VanDerWaalsContact CA-O 3.29Å; S44-K145 WeakPolarHBondContact CA-O 3.27Å
45S86.8Confident89Confident9 Ų940.2 Ų40.26%0.06322%0.217CC..EExtended strand (participates in β ladder)trans-132.388.6174.6-1690000108.7P47 N48 V49 T171S45-P47 CarbonylContact O-C 3.56Å; S45-N48 PolarHBondContact O-N 2.84Å; S45-V49 PolarHBondContact O-N 2.88Å; S45-T171 VanDerWaalsContact CB-O 3.23Å; S45-T171 WeakPolarHBondContact CB-O 3.16Å; S45-T171 PolarHBondContact OG-O 3.27Å
46Y89Confident89.2Confident9 Ų940.8 Ų40.84%0.03521%0.21CC..THydrogen-bonded Turntrans-72.5132.2-173.1-177.2-106000111.6L115 L140 E141 V144 W172 F178Y46-L115 HydrophobicContact CE1-CD2 4.14Å; Y46-L115 HydrophobicContact CE2-CD2 3.69Å; Y46-L115 WeakPolarHBondContact OH-CD2 3.28Å; Y46-L140 HydrophobicContact CE2-CB 3.97Å; Y46-E141 PolarHBondContact OH-OE1 2.79Å; Y46-V144 HydrophobicContact CD2-CG1 4.46Å; Y46-V144 HydrophobicContact CD2-CG2 3.42Å; Y46-V144 VanDerWaalsContact CD2-CG2 3.42Å; Y46-V144 HydrophobicContact CE2-CG2 3.57Å; Y46-V144 HydrophobicContact CG-CG1 4.43Å; Y46-V144 HydrophobicContact CG-CG2 4.1Å; Y46-W172 HydrophobicContact CG-CH2 4.23Å; Y46-F178 HydrophobicContact CD1-CB 4.18Å; Y46-F178 AromaticContact CD1-CD1 3.68Å; Y46-F178 HydrophobicContact CD1-CD1 3.68Å; Y46-F178 AromaticContact CD1-CD2 3.9Å; Y46-F178 HydrophobicContact CD1-CD2 3.9Å; Y46-F178 AromaticContact CD1-CE1 3.99Å; Y46-F178 HydrophobicContact CD1-CE1 3.99Å; Y46-F178 HydrophobicContact CD1-CE2 4.21Å; Y46-F178 AromaticContact CD1-CG 3.63Å; Y46-F178 HydrophobicContact CD1-CG 3.63Å; Y46-F178 HydrophobicContact CD1-CZ 4.24Å; Y46-F178 AromaticContact CE1-CD1 3.5Å; Y46-F178 HydrophobicContact CE1-CD1 3.5Å; Y46-F178 HydrophobicContact CE1-CD2 4.38Å; Y46-F178 AromaticContact CE1-CE1 3.48Å; Y46-F178 HydrophobicContact CE1-CE1 3.48Å; Y46-F178 VanDerWaalsContact CE1-CE1 3.48Å; Y46-F178 HydrophobicContact CE1-CE2 4.38Å; Y46-F178 AromaticContact CE1-CG 3.97Å; Y46-F178 HydrophobicContact CE1-CG 3.97Å; Y46-F178 AromaticContact CE1-CZ 3.94Å; Y46-F178 HydrophobicContact CE1-CZ 3.94Å
47P87.7Confident89Confident24 Ų2438 Ų3816%0.15619%0.194CC..THydrogen-bonded Turncis-100.516.40.639.3-35000114.2S45 L115 L140 F178S45-P47 CarbonylContact O-C 3.56Å; P47-L115 HydrophobicContact CB-CD2 3.54Å; P47-L115 HydrophobicContact CB-CG 4.34Å; P47-L115 HydrophobicContact CG-CD2 4.34Å; P47-L140 HydrophobicContact CB-CD1 3.99Å; P47-F178 HydrophobicContact CG-CE2 4.28Å
48N83.8Confident88.4Confident83 Ų8345.1 Ų45.144%0.44423%0.231SC..THydrogen-bonded Turntrans-87.9-37.8-161-62.8-31.9000114S45S45-N48 PolarHBondContact O-N 2.84Å
49V84.9Confident87.2Confident42 Ų4243.1 Ų43.126%0.25524%0.235SC..EExtended strand (participates in β ladder)trans-117.8103.5-167.4-177.20000109.8C43 S44 S45 F51C43-V49 VanDerWaalsContact CA-O 3.26Å; C43-V49 WeakPolarHBondContact CA-O 3.28Å; C43-V49 PolarHBondContact SG-O 2.84Å; S44-V49 PolarHBondContact N-O 2.99Å; S45-V49 PolarHBondContact O-N 2.88Å; V49-F51 HydrophobicContact CG1-CD2 3.83Å; V49-F51 HydrophobicContact CG1-CE1 4.41Å; V49-F51 HydrophobicContact CG1-CE2 3.05Å; V49-F51 HydrophobicContact CG1-CZ 3.4Å
50T92Very high85.4Confident1 Ų146.1 Ų46.11%0.00626%0.258CS..EExtended strand (participates in β ladder)trans-116.6128.7177.7-57.20000110.6W42 L110 L113 L140 I143W42-T50 WeakPolarHBondContact O-CA 3.49Å; T50-L110 HydrophobicContact CG2-CB 4.21Å; T50-L110 HydrophobicContact CG2-CD1 4.18Å; T50-L110 PolarHBondContact O-N 2.9Å; T50-L113 HydrophobicContact CG2-CD1 4.03Å; T50-L140 WeakPolarHBondContact OG1-CD2 3.44Å; T50-I143 HydrophobicContact CG2-CD1 3.52Å
51F92.9Very high83.8Confident62 Ų6246.3 Ų46.327%0.27226%0.259SS..EExtended strand (participates in β ladder)trans-122.6146.6176.8-62.1-71.7000110.6C41 W42 V49 C108 H109C41-F51 CarbonylContact C-O 3.58Å; C41-F51 VanDerWaalsContact CA-O 3.22Å; C41-F51 WeakPolarHBondContact CA-O 3.36Å; W42-F51 HydrophobicContact CD2-CB 4.27Å; W42-F51 HydrophobicContact CE3-CB 4.33Å; W42-F51 HydrophobicContact CH2-CB 3.91Å; W42-F51 HydrophobicContact CZ2-CB 3.82Å; W42-F51 HydrophobicContact CZ2-CD2 4.36Å; W42-F51 HydrophobicContact CZ2-CG 4.41Å; W42-F51 HydrophobicContact CZ3-CB 4.15Å; W42-F51 PolarHBondContact N-O 2.93Å; W42-F51 PolarHBondContact O-N 2.77Å; V49-F51 HydrophobicContact CG1-CD2 3.83Å; V49-F51 HydrophobicContact CG1-CE1 4.41Å; V49-F51 HydrophobicContact CG1-CE2 3.05Å; V49-F51 HydrophobicContact CG1-CZ 3.4Å; F51-C108 CarbonylContact C-O 3.58Å; F51-C108 WeakPolarHBondContact CA-O 3.41Å; F51-H109 HydrophobicContact CD1-CB 4.24Å; F51-H109 AromaticContact CD1-CD2 3.9Å; F51-H109 HydrophobicContact CE1-CB 4.17Å; F51-H109 AromaticContact CE1-CD2 3.45Å; F51-H109 VanDerWaalsContact CE1-CD2 3.45Å; F51-H109 WeakPolarHBondContact CE1-CD2 3.37Å
52C94.9Very high82.3Confident0 Ų051.3 Ų51.30%029%0.291CS..EExtended strand (participates in β ladder)trans-123.7140.4162.9-61.30000109.3V39 H40 C41 H107 C108 L121V39-C52 HydrophobicContact CG1-CB 4.07Å; H40-C52 CarbonylContact O-C 3.57Å; H40-C52 VanDerWaalsContact O-CA 3.24Å; H40-C52 WeakPolarHBondContact O-CA 3.42Å; C41-C52 HydrophobicContact CB-CB 4.12Å; C41-C52 WeakPolarHBondContact CB-SG 3.26Å; C41-C52 WeakPolarHBondContact SG-CB 3.06Å; C41-C52 CovalentContact SG-SG 2.04Å; C41-C52 PolarHBondContact SG-SG 2.92Å; C52-H107 CarbonylContact O-C 3.54Å; C52-H107 WeakPolarHBondContact O-CA 3.43Å; C52-C108 HydrophobicContact CB-CB 4.26Å; C52-C108 PolarHBondContact N-O 3.47Å; C52-C108 PolarHBondContact O-N 3.46Å; C52-L121 HydrophobicContact CB-CD2 4.19Å; C52-L121 VanDerWaalsContact SG-CD2 3.5Å
53S94.3Very high81.4Confident12 Ų1250.1 Ų50.18%0.08429%0.289CS..EExtended strand (participates in β ladder)trans-134.5154.1178.168.40000112.4V39 H40 W42 W106V39-S53 WeakPolarHBondContact CA-O 3.37Å; H40-S53 PolarHBondContact N-O 3.27Å; H40-S53 PolarHBondContact O-N 3.07Å; W42-S53 WeakPolarHBondContact CZ3-OG 3.3Å; S53-W106 WeakPolarHBondContact CA-O 3.38Å; S53-W106 VanDerWaalsContact CB-O 3.27Å; S53-W106 WeakPolarHBondContact CB-O 3.46Å
54W92.3Very high81.1Confident1 Ų156.3 Ų56.30%0.00432%0.318CS..EExtended strand (participates in β ladder)trans-148.8150172.75794.1000110P37 K38 V39 Y65 A67 L83 W106 C108 I123P37-W54 HydrophobicContact CB-CB 4.23Å; P37-W54 HydrophobicContact CB-CG 4.16Å; K38-W54 WeakPolarHBondContact O-CB 3.39Å; V39-W54 HydrophobicContact CG1-CE3 4.46Å; V39-W54 HydrophobicContact CG2-CB 4.34Å; V39-W54 HydrophobicContact CG2-CE3 4.42Å; W54-Y65 AromaticContact CD1-CE1 3.75Å; W54-Y65 AromaticContact CD1-CZ 3.76Å; W54-Y65 AromaticContact CE2-CD1 3.91Å; W54-Y65 HydrophobicContact CZ2-CD1 4.07Å; W54-Y65 AromaticContact CZ2-CG 3.97Å; W54-Y65 HydrophobicContact CZ2-CG 3.97Å; W54-Y65 AromaticContact NE1-CD1 3.37Å; W54-Y65 AromaticContact NE1-CD2 3.75Å; W54-Y65 AromaticContact NE1-CE1 3.19Å; W54-Y65 AromaticContact NE1-CE2 3.6Å; W54-Y65 AromaticContact NE1-CG 3.64Å; W54-Y65 AromaticContact NE1-CZ 3.32Å; W54-Y65 VanDerWaalsContact NE1-CZ 3.32Å; W54-A67 HydrophobicContact CH2-CB 4.33Å; W54-L83 HydrophobicContact CH2-CD2 3.44Å; W54-L83 VanDerWaalsContact CH2-CD2 3.44Å; W54-L83 HydrophobicContact CZ2-CD2 3.78Å; W54-W106 HydrophobicContact CD2-CB 3.93Å; W54-W106 HydrophobicContact CG-CB 4.28Å; W54-W106 HydrophobicContact CH2-CB 4.37Å; W54-W106 HydrophobicContact CZ2-CB 3.65Å; W54-W106 HydrophobicContact CZ2-CG 4.24Å; W54-W106 PolarHBondContact N-O 2.87Å; W54-W106 AromaticContact NE1-CD1 3.88Å; W54-W106 AromaticContact NE1-CG 3.64Å; W54-W106 PolarHBondContact O-N 3.12Å; W54-C108 HydrophobicContact CH2-CB 3.83Å; W54-C108 HydrophobicContact CZ3-CB 3.68Å; W54-I123 HydrophobicContact CD2-CD1 4.49Å; W54-I123 HydrophobicContact CD2-CG2 4.24Å; W54-I123 HydrophobicContact CE3-CD1 3.68Å; W54-I123 HydrophobicContact CE3-CG2 4.42Å; W54-I123 HydrophobicContact CH2-CD1 4.11Å; W54-I123 HydrophobicContact CH2-CG1 4.29Å; W54-I123 HydrophobicContact CH2-CG2 4.17Å; W54-I123 HydrophobicContact CZ2-CG2 3.98Å; W54-I123 HydrophobicContact CZ3-CD1 3.46Å; W54-I123 VanDerWaalsContact CZ3-CD1 3.46Å; W54-I123 HydrophobicContact CZ3-CG1 4.12Å; W54-I123 HydrophobicContact CZ3-CG2 4.39Å
55P87.8Confident81.3Confident45 Ų4556.6 Ų56.629%0.29232%0.318SS..EExtended strand (participates in β ladder)trans-70.3145.3179.428.7-34.3000111.7L105P55-L105 HydrophobicContact CB-CD2 3.99Å
56E80.6Confident81.6Confident101 Ų10159.9 Ų59.947%0.47233%0.333SS..PPolyproline II helixtrans-66.2130.5167.1-172.8168.9-150.600109.6P86 Q104E56-P86 HydrophobicContact CB-CG 4.47Å; E56-Q104 HydrophobicContact CB-CB 4.5Å; E56-Q104 VanDerWaalsContact CB-O 3.23Å; E56-Q104 WeakPolarHBondContact CB-O 2.99Å; E56-Q104 PolarHBondContact N-O 2.91Å; E56-Q104 WeakPolarHBondContact OE2-CG 3.45Å
57P73.6Confident81.9Confident35 Ų3559.4 Ų59.423%0.22733%0.332CS..PPolyproline II helixtrans-64.8149.1177.522.7-30.6000111T63 Y65P57-T63 WeakPolarHBondContact CG-OG1 3.34Å; P57-Y65 WeakPolarHBondContact CD-OH 3.27Å
58L68.3Low82.2Confident158 Ų15859.9 Ų59.983%0.82733%0.334SS*.PPolyproline II helixtrans-51.5142.8177.3-81151.6000111.3S60L58-S60 PolarHBondContact O-N 2.84Å
59P62.8Low82.8Confident131 Ų13156.6 Ų56.685%0.85132%0.316SS*.SBendtrans-65.3103.3-16625.8-33.8000110.5
60S55.2Low83.2Confident90 Ų9056.1 Ų56.163%0.62931%0.314SS*.SBendtrans-135.4-31.116459.70000112.2L58L58-S60 PolarHBondContact O-N 2.84Å
61H61.2Low83.4Confident89 Ų8958.6 Ų58.641%0.41233%0.326SS..SBendtrans-153.4150.5178.3-60.286.9000111.9T63H61-T63 PolarHBondContact O-N 2.85Å; H61-T63 VanDerWaalsContact O-N 3.17Å
62P62.3Low83.4Confident126 Ų12661 Ų6182%0.81833%0.333SS*.PPolyproline II helixtrans-65.6116.1173.526.7-31.9000109.7
63T77.6Confident83Confident24 Ų2468.2 Ų68.215%0.14737%0.371CS..PPolyproline II helixtrans-91.2126.1176.1-53.40000109.7P57 H61 Y65 A125 H127P57-T63 WeakPolarHBondContact CG-OG1 3.34Å; H61-T63 PolarHBondContact O-N 2.85Å; H61-T63 VanDerWaalsContact O-N 3.17Å; T63-Y65 HydrophobicContact CG2-CD1 4.39Å; T63-Y65 HydrophobicContact CG2-CD2 3.98Å; T63-Y65 HydrophobicContact CG2-CE1 3.93Å; T63-Y65 HydrophobicContact CG2-CE2 3.46Å; T63-Y65 VanDerWaalsContact CG2-CE2 3.46Å; T63-Y65 HydrophobicContact CG2-CG 4.41Å; T63-Y65 VanDerWaalsContact CG2-CZ 3.43Å; T63-A125 HydrophobicContact CG2-CB 3.92Å; T63-H127 WeakPolarHBondContact CG2-CE1 2.95Å; T63-H127 PolarHBondContact OG1-CE1 3.17Å; T63-H127 PolarHBondContact OG1-NE2 3.01Å
64Q87.7Confident82.3Confident131 Ų13169.1 Ų69.161%0.61238%0.383SS*.EExtended strand (participates in β ladder)trans-93134.9164.8-176.2176.8-6.800109.4V126Q64-V126 HydrophobicContact CB-CB 4.45Å; Q64-V126 PolarHBondContact N-O 3.37Å; Q64-V126 PolarHBondContact O-N 3.21Å
65Y90.8Very high81.4Confident16 Ų1677.5 Ų77.56%0.06343%0.428CS..EExtended strand (participates in β ladder)trans-105.8142174.3-71.2-79.3000111.6P37 W54 P57 T63 L83 W106 I123 T124 A125P37-Y65 HydrophobicContact CG-CE1 3.94Å; W54-Y65 AromaticContact CD1-CE1 3.75Å; W54-Y65 AromaticContact CD1-CZ 3.76Å; W54-Y65 AromaticContact CE2-CD1 3.91Å; W54-Y65 HydrophobicContact CZ2-CD1 4.07Å; W54-Y65 AromaticContact CZ2-CG 3.97Å; W54-Y65 HydrophobicContact CZ2-CG 3.97Å; W54-Y65 AromaticContact NE1-CD1 3.37Å; W54-Y65 AromaticContact NE1-CD2 3.75Å; W54-Y65 AromaticContact NE1-CE1 3.19Å; W54-Y65 AromaticContact NE1-CE2 3.6Å; W54-Y65 AromaticContact NE1-CG 3.64Å; W54-Y65 AromaticContact NE1-CZ 3.32Å; W54-Y65 VanDerWaalsContact NE1-CZ 3.32Å; P57-Y65 WeakPolarHBondContact CD-OH 3.27Å; T63-Y65 HydrophobicContact CG2-CD1 4.39Å; T63-Y65 HydrophobicContact CG2-CD2 3.98Å; T63-Y65 HydrophobicContact CG2-CE1 3.93Å; T63-Y65 HydrophobicContact CG2-CE2 3.46Å; T63-Y65 VanDerWaalsContact CG2-CE2 3.46Å; T63-Y65 HydrophobicContact CG2-CG 4.41Å; T63-Y65 VanDerWaalsContact CG2-CZ 3.43Å; Y65-L83 VanDerWaalsContact O-CD1 3.22Å; Y65-L83 WeakPolarHBondContact O-CD1 3.4Å; Y65-W106 AromaticContact CD2-CD2 3.78Å; Y65-W106 HydrophobicContact CD2-CD2 3.78Å; Y65-W106 AromaticContact CD2-CE2 3.57Å; Y65-W106 HydrophobicContact CD2-CE3 4.35Å; Y65-W106 HydrophobicContact CD2-CG 4.09Å; Y65-W106 AromaticContact CD2-CZ2 3.98Å; Y65-W106 HydrophobicContact CD2-CZ2 3.98Å; Y65-W106 AromaticContact CD2-NE1 3.74Å; Y65-W106 AromaticContact CE2-CD1 3.7Å; Y65-W106 HydrophobicContact CE2-CD2 4.22Å; Y65-W106 AromaticContact CE2-CE2 3.81Å; Y65-W106 HydrophobicContact CE2-CG 4.17Å; Y65-W106 HydrophobicContact CE2-CZ2 4.44Å; Y65-W106 AromaticContact CE2-NE1 3.46Å; Y65-I123 HydrophobicContact CD1-CG2 4.12Å; Y65-T124 WeakPolarHBondContact CA-O 3.05Å; Y65-A125 HydrophobicContact CD1-CB 4.06Å; Y65-A125 HydrophobicContact CE1-CB 3.6Å
66I93.1Very high81.1Confident77 Ų7778.8 Ų78.840%0.39544%0.442SS..EExtended strand (participates in β ladder)trans-124.4119.5169.2-57170.7000106.4T68 I123 T124 V126I66-T68 HydrophobicContact CG2-CG2 4.33Å; I66-I123 WeakPolarHBondContact O-CA 3.44Å; I66-T124 PolarHBondContact N-O 3.37Å; I66-T124 PolarHBondContact O-N 2.74Å; I66-V126 HydrophobicContact CD1-CG2 4.12Å
67A95.4Very high81.4Confident0 Ų080.9 Ų80.90%046%0.457CS..EExtended strand (participates in β ladder)trans-118.6124.717900000110W54 C81 L83 N122 I123W54-A67 HydrophobicContact CH2-CB 4.33Å; A67-C81 HydrophobicContact CB-CB 3.78Å; A67-C81 PolarHBondContact O-N 2.79Å; A67-L83 HydrophobicContact CB-CD2 3.7Å; A67-L83 HydrophobicContact CB-CG 4.24Å; A67-N122 WeakPolarHBondContact CA-O 2.91Å; A67-I123 HydrophobicContact CB-CG1 3.94Å
68T95.4Very high82.3Confident33 Ų3382.9 Ų82.920%0.20247%0.47CS..EExtended strand (participates in β ladder)trans-133.5150.7-178.955.80000110.9I66 K79 N122I66-T68 HydrophobicContact CG2-CG2 4.33Å; T68-K79 CarbonylContact C-O 3.59Å; T68-K79 WeakPolarHBondContact CA-O 3.45Å; T68-N122 PolarHBondContact N-O 2.95Å; T68-N122 PolarHBondContact O-N 2.81Å
69Y95.3Very high83.5Confident15 Ų1580.7 Ų80.76%0.05945%0.453CS..EExtended strand (participates in β ladder)trans-143147.3178.471.5-74.7000111.7K79 L110 L113 Y119 I120Y69-K79 HydrophobicContact CD1-CB 3.95Å; Y69-K79 VanDerWaalsContact CD1-O 3.31Å; Y69-K79 WeakPolarHBondContact CD1-O 3.39Å; Y69-K79 HydrophobicContact CE1-CB 3.49Å; Y69-K79 VanDerWaalsContact CE1-CB 3.49Å; Y69-K79 HydrophobicContact CE2-CB 4.3Å; Y69-K79 HydrophobicContact CE2-CD 4.12Å; Y69-K79 PolarHBondContact N-O 3.08Å; Y69-K79 PolarHBondContact O-N 2.96Å; Y69-L110 HydrophobicContact CD1-CD2 3.33Å; Y69-L110 HydrophobicContact CD2-CD2 4.15Å; Y69-L110 HydrophobicContact CE1-CD2 3.67Å; Y69-L110 HydrophobicContact CE2-CD2 4.42Å; Y69-L110 HydrophobicContact CG-CD2 3.59Å; Y69-L113 HydrophobicContact CD2-CD2 3.83Å; Y69-L113 HydrophobicContact CE2-CD2 3.51Å; Y69-Y119 HydrophobicContact CD2-CD1 4.16Å; Y69-Y119 HydrophobicContact CD2-CE1 4.48Å; Y69-I120 CarbonylContact C-O 3.56Å; Y69-I120 WeakPolarHBondContact CA-O 3.41Å
70S94.6Very high85Confident31 Ų3179.5 Ų79.522%0.21744%0.444CS..EExtended strand (participates in β ladder)trans-147.2155.1177.662.20000111.2Y119 I120S70-Y119 CarbonylContact O-C 3.44Å; S70-Y119 WeakPolarHBondContact O-CA 3.28Å; S70-I120 PolarHBondContact N-O 3.05Å; S70-I120 PolarHBondContact O-N 3.09Å
71E95.1Very high86.7Confident54 Ų5475.5 Ų75.525%0.25242%0.416SS..EExtended strand (participates in β ladder)trans-65.8134.7166.7-64174.5-16100108D73 G74 K114 T117 Y119E71-D73 VanDerWaalsContact C-N 3.35Å; E71-D73 PolarHBondContact O-N 2.7Å; E71-G74 PolarHBondContact O-N 2.91Å; E71-K114 VanDerWaalsContact CD-NZ 3.34Å; E71-K114 WeakPolarHBondContact OE1-CE 3.18Å; E71-K114 IonicContact OE1-NZ 3.13Å; E71-K114 PolarHBondContact OE1-NZ 2.81Å; E71-K114 IonicContact OE2-NZ 2.81Å; E71-K114 PolarHBondContact OE2-NZ 2.87Å; E71-K114 VanDerWaalsContact OE2-NZ 3.12Å; E71-T117 HydrophobicContact CB-CG2 4.31Å; E71-T117 HydrophobicContact CG-CG2 3.85Å; E71-Y119 HydrophobicContact CB-CE1 4.45Å; E71-Y119 HydrophobicContact CG-CD1 4.09Å; E71-Y119 HydrophobicContact CG-CE1 3.41Å; E71-Y119 VanDerWaalsContact CG-CE1 3.41Å
72R92.5Very high88.2Confident111 Ų11177.3 Ų77.342%0.41942%0.424SS..THydrogen-bonded Turntrans-57.5-46.9-176174.7-179.1-66.3-76.55.9112.2G74 E118 I120 S137R72-G74 VanDerWaalsContact C-N 3.35Å; R72-E118 HydrophobicContact CB-CB 4.32Å; R72-E118 VanDerWaalsContact CD-OE2 3.24Å; R72-E118 WeakPolarHBondContact CD-OE2 3.34Å; R72-E118 IonicContact CZ-OE1 3.34Å; R72-E118 IonicContact CZ-OE2 3.78Å; R72-E118 PolarHBondContact N-O 2.94Å; R72-E118 IonicContact NE-OE1 3.05Å; R72-E118 PolarHBondContact NE-OE1 2.88Å; R72-E118 IonicContact NE-OE2 2.77Å; R72-E118 PolarHBondContact NE-OE2 3.38Å; R72-E118 IonicContact NH2-OE1 2.78Å; R72-E118 PolarHBondContact NH2-OE1 3.3Å; R72-E118 IonicContact NH2-OE2 3.96Å; R72-I120 HydrophobicContact CB-CD1 4.18Å; R72-I120 HydrophobicContact CB-CG1 4.19Å; R72-I120 HydrophobicContact CG-CD1 4.13Å; R72-S137 VanDerWaalsContact NH2-CB 3.25Å; R72-S137 PolarHBondContact NH2-OG 2.9Å
73D87.6Confident89.7Confident152 Ų15273.6 Ų73.681%0.81340%0.397SS*.THydrogen-bonded Turntrans-96.37.6-178-57.7-45.8000112.4E71E71-D73 VanDerWaalsContact C-N 3.35Å; E71-D73 PolarHBondContact O-N 2.7Å
74G79Confident90.3Very high32 Ų3273.5 Ų73.533%0.3340%0.396SS..  trans-77.8131.6-179.300000111.4E71 R72 A76E71-G74 PolarHBondContact O-N 2.91Å; R72-G74 VanDerWaalsContact C-N 3.35Å; G74-A76 PolarHBondContact O-N 3.09Å
75N74.2Confident90.3Very high177 Ų17770 Ų7095%0.94739%0.385SS*.  trans-80.417.4170.5-163.848000112.9
76A81Confident90Very high71 Ų7170.4 Ų70.459%0.58739%0.39SS*.SBendtrans-98.6146.7-175.900000110.6G74G74-A76 PolarHBondContact O-N 3.09Å
77D87.1Confident89.2Confident146 Ų14669.9 Ų69.978%0.78140%0.403SS*.PPolyproline II helixtrans-59.5145.8176.1-66.7-53.2000111.6K79D77-K79 PolarHBondContact O-N 3.11Å
78P91.9Very high88Confident77 Ų7771.2 Ų71.250%0.541%0.412SS..PPolyproline II helixtrans-57.3131.8175.4-23.533000112
79K93.3Very high86.3Confident111 Ų11175.1 Ų75.148%0.48344%0.441SS..EExtended strand (participates in β ladder)trans-83.8143.9175.8-64.9175.5-175.71720109.6T68 Y69 D77T68-K79 CarbonylContact C-O 3.59Å; T68-K79 WeakPolarHBondContact CA-O 3.45Å; Y69-K79 HydrophobicContact CD1-CB 3.95Å; Y69-K79 VanDerWaalsContact CD1-O 3.31Å; Y69-K79 WeakPolarHBondContact CD1-O 3.39Å; Y69-K79 HydrophobicContact CE1-CB 3.49Å; Y69-K79 VanDerWaalsContact CE1-CB 3.49Å; Y69-K79 HydrophobicContact CE2-CB 4.3Å; Y69-K79 HydrophobicContact CE2-CD 4.12Å; Y69-K79 PolarHBondContact N-O 3.08Å; Y69-K79 PolarHBondContact O-N 2.96Å; D77-K79 PolarHBondContact O-N 3.11Å
80T94.1Very high84.1Confident106 Ų10677.8 Ų77.865%0.6546%0.462SS*.EExtended strand (participates in β ladder)trans-82.5137.7173-480000110.2
81C92.6Very high81.8Confident7 Ų778.5 Ų78.55%0.04747%0.467CS..PPolyproline II helixtrans-79148.2173.8-175.30000111.8A67 L83 C108 H109 L110A67-C81 HydrophobicContact CB-CB 3.78Å; A67-C81 PolarHBondContact O-N 2.79Å; C81-L83 PolarHBondContact O-N 3.13Å; C81-L83 VanDerWaalsContact O-N 3.11Å; C81-C108 HydrophobicContact CB-CB 4.18Å; C81-C108 WeakPolarHBondContact CB-SG 3.33Å; C81-C108 WeakPolarHBondContact SG-CA 3.4Å; C81-C108 WeakPolarHBondContact SG-CB 3.45Å; C81-C108 CovalentContact SG-SG 2Å; C81-C108 PolarHBondContact SG-SG 3.2Å; C81-H109 PolarHBondContact SG-N 2.71Å; C81-H109 PolarHBondContact SG-O 3.18Å; C81-L110 HydrophobicContact CB-CD2 3.94Å
82H92.1Very high79.4Confident127 Ų12779.7 Ų79.759%0.58849%0.486SS*.EExtended strand (participates in β ladder)trans-76.499.6170.9-177.5-91.3000110.2H109H82-H109 HydrophobicContact CB-CB 4.41Å; H82-H109 PolarHBondContact N-O 3.05Å; H82-H109 PolarHBondContact O-N 2.56Å; H82-H109 VanDerWaalsContact O-N 3.08Å
83L92.6Very high77.1Confident48 Ų4882.3 Ų82.325%0.25151%0.508SS..EExtended strand (participates in β ladder)trans-77127.7179-72.1174.8000111.4W54 Y65 A67 C81 H107 C108W54-L83 HydrophobicContact CH2-CD2 3.44Å; W54-L83 VanDerWaalsContact CH2-CD2 3.44Å; W54-L83 HydrophobicContact CZ2-CD2 3.78Å; Y65-L83 VanDerWaalsContact O-CD1 3.22Å; Y65-L83 WeakPolarHBondContact O-CD1 3.4Å; A67-L83 HydrophobicContact CB-CD2 3.7Å; A67-L83 HydrophobicContact CB-CG 4.24Å; C81-L83 PolarHBondContact O-N 3.13Å; C81-L83 VanDerWaalsContact O-N 3.11Å; L83-H107 CarbonylContact C-O 3.48Å; L83-H107 WeakPolarHBondContact CA-O 3.37Å; L83-C108 HydrophobicContact CD2-CB 4.25Å
84V91.5Very high74.8Confident21 Ų2180.3 Ų80.313%0.12750%0.501CS..EExtended strand (participates in β ladder)trans-114.9113176177.90000107.6S88 S90 H107V84-S88 WeakPolarHBondContact CG1-OG 3.4Å; V84-S90 VanDerWaalsContact CG1-OG 3.26Å; V84-S90 WeakPolarHBondContact CG1-OG 3.47Å; V84-H107 HydrophobicContact CB-CB 4.17Å; V84-H107 PolarHBondContact N-O 3.46Å; V84-H107 PolarHBondContact O-N 3.42Å
85P87.5Confident72.8Confident58 Ų5886 Ų8638%0.37753%0.53SS..  trans-71.4155.1-178.828.1-31.9000110.9S88 W106P85-S88 WeakPolarHBondContact O-CB 3.24Å; P85-S88 PolarHBondContact O-N 3.02Å; P85-S88 PolarHBondContact O-OG 3.29Å; P85-W106 HydrophobicContact CB-CE3 4.23Å; P85-W106 HydrophobicContact CB-CH2 3.64Å; P85-W106 HydrophobicContact CB-CZ2 4.2Å; P85-W106 HydrophobicContact CB-CZ3 3.65Å
86P85.2Confident71.4Confident25 Ų2585.2 Ų85.216%0.16252%0.52CS..THydrogen-bonded Turntrans-59.6140.3174.4-8.416000112.3E56 S88 Q104 L105 W106E56-P86 HydrophobicContact CB-CG 4.47Å; P86-S88 PolarHBondContact O-N 3.32Å; P86-Q104 VanDerWaalsContact CA-NE2 3.33Å; P86-Q104 HydrophobicContact CB-CB 4.29Å; P86-Q104 HydrophobicContact CB-CG 3.15Å; P86-Q104 HydrophobicContact CG-CG 3.97Å; P86-L105 WeakPolarHBondContact CA-O 3.49Å; P86-L105 WeakPolarHBondContact CB-O 3.49Å; P86-W106 VanDerWaalsContact CD-CE2 3.41Å; P86-W106 HydrophobicContact CG-CD2 4.23Å; P86-W106 HydrophobicContact CG-CG 4.03Å
87G74.9Confident69.3Low65 Ų6586.2 Ų86.267%0.6752%0.521SS*.THydrogen-bonded Turntrans75.74.317900000115Q104G87-Q104 VanDerWaalsContact N-NE2 3.2Å
88S71.5Confident67.3Low28 Ų2885.2 Ų85.220%0.19652%0.522CS..  trans-66.2146.8168.858.20000111.3V84 P85 P86 S90 S91V84-S88 WeakPolarHBondContact CG1-OG 3.4Å; P85-S88 WeakPolarHBondContact O-CB 3.24Å; P85-S88 PolarHBondContact O-N 3.02Å; P85-S88 PolarHBondContact O-OG 3.29Å; P86-S88 PolarHBondContact O-N 3.32Å; S88-S90 PolarHBondContact O-N 3.35Å; S88-S90 PolarHBondContact OG-OG 2.93Å; S88-S90 VanDerWaalsContact OG-OG 3.05Å; S88-S91 WeakPolarHBondContact O-CB 3.49Å; S88-S91 PolarHBondContact O-N 3Å
89S57.9Low65.2Low116 Ų11685.5 Ų85.581%0.81152%0.524SS*.G310 helixtrans-60.7-13.5179.851.80000114.3A92S89-A92 WeakPolarHBondContact O-CB 3.29Å
90S50.7Low63Low70 Ų7085.9 Ų85.949%0.4954%0.54SS..G310 helixtrans-76.6-16.3170.744.80000114.8V84 S88 A92V84-S90 VanDerWaalsContact CG1-OG 3.26Å; V84-S90 WeakPolarHBondContact CG1-OG 3.47Å; S88-S90 PolarHBondContact O-N 3.35Å; S88-S90 PolarHBondContact OG-OG 2.93Å; S88-S90 VanDerWaalsContact OG-OG 3.05Å; S90-A92 VanDerWaalsContact C-N 3.29Å
91S46.3Very low60.8Low46 Ų4689.3 Ų89.332%0.32255%0.554SS.*G310 helixtrans-82.5-4.1171.7-65.50000113.1S88 L93S88-S91 WeakPolarHBondContact O-CB 3.49Å; S88-S91 PolarHBondContact O-N 3Å; S91-L93 VanDerWaalsContact C-N 3.31Å; S91-L93 PolarHBondContact O-N 2.88Å
92A43.8Very low59.1Low80 Ų8091.8 Ų91.866%0.66157%0.572SS**THydrogen-bonded Turntrans-88.723.2-173.900000114.7S89 S90 T94S89-A92 WeakPolarHBondContact O-CB 3.29Å; S90-A92 VanDerWaalsContact C-N 3.29Å; A92-T94 VanDerWaalsContact C-N 3.28Å
93L44.8Very low57.9Low166 Ų16693 Ų9387%0.86958%0.577SS**THydrogen-bonded Turntrans-83.3-0.2174.3-88.4154.7000113.6S91S91-L93 VanDerWaalsContact C-N 3.31Å; S91-L93 PolarHBondContact O-N 2.88Å
94T40Very low57.3Low110 Ų11094.7 Ų94.768%0.67558%0.584SS**SBendtrans-106.8115175.138.40000111.2A92 E96A92-T94 VanDerWaalsContact C-N 3.28Å; T94-E96 PolarHBondContact O-N 2.88Å
95T36.1Very low57.2Low152 Ų15296.1 Ų96.193%0.93359%0.591SS**  trans-74.267.7174.3-330000110.5
96E43.8Very low57.4Low160 Ų16095.2 Ų95.275%0.74858%0.58SS**  trans-118.2145.2174.3-93.3-84.4139.300110.5T94T94-E96 PolarHBondContact O-N 2.88Å
97P38.3Very low57.7Low91 Ų9196.3 Ų96.359%0.59158%0.582SS**PPolyproline II helixtrans-57.5158.5176.724.3-33.1000111.9P99P97-P99 WeakPolarHBondContact O-CD 3.47Å; P97-P99 VanDerWaalsContact O-N 3.11Å
98P43.7Very low58.7Low125 Ų12593.2 Ų93.281%0.81255%0.551SS**PPolyproline II helixtrans-58122.1-175.523.8-32.8000109.4S100P98-S100 PolarHBondContact O-N 2.85Å
99P48Very low59.7Low84 Ų8494.6 Ų94.655%0.54555%0.554SS.*PPolyproline II helixtrans-70.6131.3-170.423.6-31.2000110.5P97 L101 S102P97-P99 WeakPolarHBondContact O-CD 3.47Å; P97-P99 VanDerWaalsContact O-N 3.11Å; P99-L101 PolarHBondContact O-N 2.84Å; P99-S102 WeakPolarHBondContact CB-OG 3.21Å; P99-S102 WeakPolarHBondContact CG-OG 3.08Å
100S47.5Very low61.3Low118 Ų11889.1 Ų89.183%0.82552%0.515SS*.SBendtrans-55.8102.6158.251.70000108.6P98 S102P98-S100 PolarHBondContact O-N 2.85Å; S100-S102 VanDerWaalsContact C-N 3.25Å; S100-S102 PolarHBondContact O-N 3.49Å
101L48.2Very low63Low178 Ų17887.9 Ų87.993%0.93251%0.506SS*.SBendtrans39.248.8176.2-63.3169000113.6P99 E103P99-L101 PolarHBondContact O-N 2.84Å; L101-E103 PolarHBondContact O-N 3.06Å
102S56.2Low64.8Low60 Ų6092.4 Ų92.442%0.4253%0.527SS..  trans-58.7134.1170.753.40000108.2P99 S100 Q104P99-S102 WeakPolarHBondContact CB-OG 3.21Å; P99-S102 WeakPolarHBondContact CG-OG 3.08Å; S100-S102 VanDerWaalsContact C-N 3.25Å; S100-S102 PolarHBondContact O-N 3.49Å; S102-Q104 PolarHBondContact O-N 2.87Å
103E67.4Low67.1Low151 Ų15189.2 Ų89.271%0.70650%0.498SS*.  trans-51.1117.7168.8-62.6-173.916600108.8L101 L105L101-E103 PolarHBondContact O-N 3.06Å; E103-L105 HydrophobicContact CB-CD2 4.23Å; E103-L105 WeakPolarHBondContact O-CG 3.17Å; E103-L105 PolarHBondContact O-N 3.01Å
104Q80.8Confident69.3Low85 Ų8586.5 Ų86.540%0.39748%0.479SS..  trans-76.8114.7-175.1-174.258.387.300107.4E56 P86 G87 S102E56-Q104 HydrophobicContact CB-CB 4.5Å; E56-Q104 VanDerWaalsContact CB-O 3.23Å; E56-Q104 WeakPolarHBondContact CB-O 2.99Å; E56-Q104 PolarHBondContact N-O 2.91Å; E56-Q104 WeakPolarHBondContact OE2-CG 3.45Å; P86-Q104 VanDerWaalsContact CA-NE2 3.33Å; P86-Q104 HydrophobicContact CB-CB 4.29Å; P86-Q104 HydrophobicContact CB-CG 3.15Å; P86-Q104 HydrophobicContact CG-CG 3.97Å; G87-Q104 VanDerWaalsContact N-NE2 3.2Å; S102-Q104 PolarHBondContact O-N 2.87Å
105L88.3Confident71.9Confident50 Ų5084.4 Ų84.426%0.26246%0.464SS..EExtended strand (participates in β ladder)trans-104.5137.8-168.8-58.5-176.5000113.3P55 P86 E103 H107P55-L105 HydrophobicContact CB-CD2 3.99Å; P86-L105 WeakPolarHBondContact CA-O 3.49Å; P86-L105 WeakPolarHBondContact CB-O 3.49Å; E103-L105 HydrophobicContact CB-CD2 4.23Å; E103-L105 WeakPolarHBondContact O-CG 3.17Å; E103-L105 PolarHBondContact O-N 3.01Å; L105-H107 PolarHBondContact O-ND1 3.14Å
106W91.3Very high74.6Confident40 Ų4084 Ų8415%0.15246%0.455CS..EExtended strand (participates in β ladder)trans-80145.1161.6-77.883.4000110S53 W54 Y65 P85 P86S53-W106 WeakPolarHBondContact CA-O 3.38Å; S53-W106 VanDerWaalsContact CB-O 3.27Å; S53-W106 WeakPolarHBondContact CB-O 3.46Å; W54-W106 HydrophobicContact CD2-CB 3.93Å; W54-W106 HydrophobicContact CG-CB 4.28Å; W54-W106 HydrophobicContact CH2-CB 4.37Å; W54-W106 HydrophobicContact CZ2-CB 3.65Å; W54-W106 HydrophobicContact CZ2-CG 4.24Å; W54-W106 PolarHBondContact N-O 2.87Å; W54-W106 AromaticContact NE1-CD1 3.88Å; W54-W106 AromaticContact NE1-CG 3.64Å; W54-W106 PolarHBondContact O-N 3.12Å; Y65-W106 AromaticContact CD2-CD2 3.78Å; Y65-W106 HydrophobicContact CD2-CD2 3.78Å; Y65-W106 AromaticContact CD2-CE2 3.57Å; Y65-W106 HydrophobicContact CD2-CE3 4.35Å; Y65-W106 HydrophobicContact CD2-CG 4.09Å; Y65-W106 AromaticContact CD2-CZ2 3.98Å; Y65-W106 HydrophobicContact CD2-CZ2 3.98Å; Y65-W106 AromaticContact CD2-NE1 3.74Å; Y65-W106 AromaticContact CE2-CD1 3.7Å; Y65-W106 HydrophobicContact CE2-CD2 4.22Å; Y65-W106 AromaticContact CE2-CE2 3.81Å; Y65-W106 HydrophobicContact CE2-CG 4.17Å; Y65-W106 HydrophobicContact CE2-CZ2 4.44Å; Y65-W106 AromaticContact CE2-NE1 3.46Å; P85-W106 HydrophobicContact CB-CE3 4.23Å; P85-W106 HydrophobicContact CB-CH2 3.64Å; P85-W106 HydrophobicContact CB-CZ2 4.2Å; P85-W106 HydrophobicContact CB-CZ3 3.65Å; P86-W106 VanDerWaalsContact CD-CE2 3.41Å; P86-W106 HydrophobicContact CG-CD2 4.23Å; P86-W106 HydrophobicContact CG-CG 4.03Å
107H92.9Very high77Confident47 Ų4777.8 Ų77.822%0.21843%0.428CS..EExtended strand (participates in β ladder)trans-124.7148.4174.1-58.578.3000111.3C52 L83 V84 L105C52-H107 CarbonylContact O-C 3.54Å; C52-H107 WeakPolarHBondContact O-CA 3.43Å; L83-H107 CarbonylContact C-O 3.48Å; L83-H107 WeakPolarHBondContact CA-O 3.37Å; V84-H107 HydrophobicContact CB-CB 4.17Å; V84-H107 PolarHBondContact N-O 3.46Å; V84-H107 PolarHBondContact O-N 3.42Å; L105-H107 PolarHBondContact O-ND1 3.14Å
108C94.1Very high79.7Confident0 Ų077 Ų770%042%0.416CS..EExtended strand (participates in β ladder)trans-129.7115.2176.8157.60000107.8F51 C52 W54 C81 L83F51-C108 CarbonylContact C-O 3.58Å; F51-C108 WeakPolarHBondContact CA-O 3.41Å; C52-C108 HydrophobicContact CB-CB 4.26Å; C52-C108 PolarHBondContact N-O 3.47Å; C52-C108 PolarHBondContact O-N 3.46Å; W54-C108 HydrophobicContact CH2-CB 3.83Å; W54-C108 HydrophobicContact CZ3-CB 3.68Å; C81-C108 HydrophobicContact CB-CB 4.18Å; C81-C108 WeakPolarHBondContact CB-SG 3.33Å; C81-C108 WeakPolarHBondContact SG-CA 3.4Å; C81-C108 WeakPolarHBondContact SG-CB 3.45Å; C81-C108 CovalentContact SG-SG 2Å; C81-C108 PolarHBondContact SG-SG 3.2Å; L83-C108 HydrophobicContact CD2-CB 4.25Å
109H93.4Very high82.2Confident57 Ų5771.3 Ų71.326%0.26438%0.379SS..EExtended strand (participates in β ladder)trans-91.4124.6175.6-179.2-114.4000111.1F51 C81 H82 P111F51-H109 HydrophobicContact CD1-CB 4.24Å; F51-H109 AromaticContact CD1-CD2 3.9Å; F51-H109 HydrophobicContact CE1-CB 4.17Å; F51-H109 AromaticContact CE1-CD2 3.45Å; F51-H109 VanDerWaalsContact CE1-CD2 3.45Å; F51-H109 WeakPolarHBondContact CE1-CD2 3.37Å; C81-H109 PolarHBondContact SG-N 2.71Å; C81-H109 PolarHBondContact SG-O 3.18Å; H82-H109 HydrophobicContact CB-CB 4.41Å; H82-H109 PolarHBondContact N-O 3.05Å; H82-H109 PolarHBondContact O-N 2.56Å; H82-H109 VanDerWaalsContact O-N 3.08Å; H109-P111 VanDerWaalsContact O-CD 3.3Å; H109-P111 WeakPolarHBondContact O-CD 3.37Å
110L91.9Very high84.4Confident1 Ų169.2 Ų69.21%0.00536%0.363CS..  trans-112.191-177.2-63173.2000109.6T50 Y69 C81 L113 L121 F138T50-L110 HydrophobicContact CG2-CB 4.21Å; T50-L110 HydrophobicContact CG2-CD1 4.18Å; T50-L110 PolarHBondContact O-N 2.9Å; Y69-L110 HydrophobicContact CD1-CD2 3.33Å; Y69-L110 HydrophobicContact CD2-CD2 4.15Å; Y69-L110 HydrophobicContact CE1-CD2 3.67Å; Y69-L110 HydrophobicContact CE2-CD2 4.42Å; Y69-L110 HydrophobicContact CG-CD2 3.59Å; C81-L110 HydrophobicContact CB-CD2 3.94Å; L110-L113 HydrophobicContact CB-CD1 4.15Å; L110-L113 HydrophobicContact CB-CD2 4.45Å; L110-L113 HydrophobicContact CB-CG 4.36Å; L110-L121 HydrophobicContact CD1-CD1 4.33Å; L110-L121 HydrophobicContact CD2-CD1 4.45Å; L110-F138 HydrophobicContact CD1-CZ 3.86Å
111P86.1Confident86.7Confident45 Ų4563.6 Ų63.629%0.29232%0.324SS..  trans-78.5150.3-176.631.5-35.2000112.2H109 L113H109-P111 VanDerWaalsContact O-CD 3.3Å; H109-P111 WeakPolarHBondContact O-CD 3.37Å; P111-L113 PolarHBondContact O-N 2.99Å
112N84.1Confident89Confident141 Ų14157.3 Ų57.375%0.75429%0.291SS*.SBendtrans57.741.9165.5-52.4-47.8000114.5
113L91.4Very high90.8Very high13 Ų1354.4 Ų54.47%0.06827%0.271CS..PPolyproline II helixtrans-69.2143.7169.5-58.7-172.8000109.8T50 Y69 L110 P111 Y119 F138 L140T50-L113 HydrophobicContact CG2-CD1 4.03Å; Y69-L113 HydrophobicContact CD2-CD2 3.83Å; Y69-L113 HydrophobicContact CE2-CD2 3.51Å; L110-L113 HydrophobicContact CB-CD1 4.15Å; L110-L113 HydrophobicContact CB-CD2 4.45Å; L110-L113 HydrophobicContact CB-CG 4.36Å; P111-L113 PolarHBondContact O-N 2.99Å; L113-Y119 HydrophobicContact CB-CD2 4.46Å; L113-Y119 HydrophobicContact CB-CE2 3.83Å; L113-Y119 HydrophobicContact CD1-CD2 4.39Å; L113-Y119 HydrophobicContact CD2-CD1 3.97Å; L113-Y119 HydrophobicContact CD2-CD2 4.29Å; L113-Y119 HydrophobicContact CD2-CE1 3.7Å; L113-Y119 HydrophobicContact CD2-CE2 4.03Å; L113-Y119 HydrophobicContact CD2-CG 4.26Å; L113-Y119 HydrophobicContact CG-CE2 4.34Å; L113-F138 HydrophobicContact CD1-CE2 3.78Å; L113-F138 HydrophobicContact CD1-CZ 4.09Å; L113-L140 HydrophobicContact CB-CD1 3.7Å; L113-L140 HydrophobicContact CB-CD2 3.95Å; L113-L140 HydrophobicContact CB-CG 3.79Å; L113-L140 HydrophobicContact CD1-CD2 3.87Å; L113-L140 HydrophobicContact CD1-CG 4.31Å; L113-L140 HydrophobicContact CG-CD2 4.46Å; L113-L140 WeakPolarHBondContact O-CD1 3.44Å
114K92Very high92.1Very high108 Ų10848.6 Ų48.647%0.4725%0.246SC..PPolyproline II helixtrans-85.7144.2178.2-64.7170.1-174.41580109.7E71 T117 Y119E71-K114 VanDerWaalsContact CD-NZ 3.34Å; E71-K114 WeakPolarHBondContact OE1-CE 3.18Å; E71-K114 IonicContact OE1-NZ 3.13Å; E71-K114 PolarHBondContact OE1-NZ 2.81Å; E71-K114 IonicContact OE2-NZ 2.81Å; E71-K114 PolarHBondContact OE2-NZ 2.87Å; E71-K114 VanDerWaalsContact OE2-NZ 3.12Å; K114-T117 WeakPolarHBondContact CB-OG1 3.46Å; K114-Y119 PolarHBondContact N-OH 3.02Å
115L93.4Very high92.5Very high67 Ų6744.6 Ų44.635%0.35123%0.227SC..THydrogen-bonded Turntrans-62.9152.6169.4-61.8-175.8000110.8Y46 P47 T117 L140 E141 F178Y46-L115 HydrophobicContact CE1-CD2 4.14Å; Y46-L115 HydrophobicContact CE2-CD2 3.69Å; Y46-L115 WeakPolarHBondContact OH-CD2 3.28Å; P47-L115 HydrophobicContact CB-CD2 3.54Å; P47-L115 HydrophobicContact CB-CG 4.34Å; P47-L115 HydrophobicContact CG-CD2 4.34Å; L115-T117 PolarHBondContact O-N 3.38Å; L115-T117 PolarHBondContact O-OG1 2.81Å; L115-L140 HydrophobicContact CD2-CB 4.44Å; L115-L140 HydrophobicContact CD2-CD1 3.87Å; L115-E141 WeakPolarHBondContact CA-OE1 3.41Å; L115-F178 HydrophobicContact CD1-CZ 4.13Å
116L93.4Very high92.6Very high142 Ų14244.6 Ų44.674%0.74323%0.229SC*.THydrogen-bonded Turntrans52.628.9175.1-53.9174.3000113.1E141L116-E141 HydrophobicContact CD2-CG 4.23Å; L116-E141 PolarHBondContact N-OE1 3.22Å; L116-E141 PolarHBondContact N-OE2 2.75Å
117T94Very high92.2Very high31 Ų3144.1 Ų44.119%0.1923%0.228CC..  trans-121126.8-178-57.40000108.3E71 K114 L115 Y119E71-T117 HydrophobicContact CB-CG2 4.31Å; E71-T117 HydrophobicContact CG-CG2 3.85Å; K114-T117 WeakPolarHBondContact CB-OG1 3.46Å; L115-T117 PolarHBondContact O-N 3.38Å; L115-T117 PolarHBondContact O-OG1 2.81Å; T117-Y119 HydrophobicContact CG2-CD2 4.42Å; T117-Y119 HydrophobicContact CG2-CE2 3.82Å; T117-Y119 VanDerWaalsContact O-CD2 3.26Å; T117-Y119 WeakPolarHBondContact O-CD2 3.23Å
118E95.7Very high91.7Very high73 Ų7347 Ų4734%0.34125%0.253SS..  trans-82.2124.9178.1-162.7-177.8174.300110.5R72 S137 M139R72-E118 HydrophobicContact CB-CB 4.32Å; R72-E118 VanDerWaalsContact CD-OE2 3.24Å; R72-E118 WeakPolarHBondContact CD-OE2 3.34Å; R72-E118 IonicContact CZ-OE1 3.34Å; R72-E118 IonicContact CZ-OE2 3.78Å; R72-E118 PolarHBondContact N-O 2.94Å; R72-E118 IonicContact NE-OE1 3.05Å; R72-E118 PolarHBondContact NE-OE1 2.88Å; R72-E118 IonicContact NE-OE2 2.77Å; R72-E118 PolarHBondContact NE-OE2 3.38Å; R72-E118 IonicContact NH2-OE1 2.78Å; R72-E118 PolarHBondContact NH2-OE1 3.3Å; R72-E118 IonicContact NH2-OE2 3.96Å; E118-S137 VanDerWaalsContact CD-OG 3.28Å; E118-S137 WeakPolarHBondContact CG-OG 2.95Å; E118-S137 WeakPolarHBondContact OE1-CB 3.33Å; E118-S137 PolarHBondContact OE1-OG 3.21Å; E118-M139 HydrophobicContact CB-CG 4.18Å; E118-M139 HydrophobicContact CG-CG 4.37Å
119Y94.9Very high90.9Very high6 Ų649.1 Ų49.12%0.02428%0.275CS..EExtended strand (participates in β ladder)trans-110138.6179-73-84.5000110.9Y69 S70 E71 L113 K114 T117 S137 F138Y69-Y119 HydrophobicContact CD2-CD1 4.16Å; Y69-Y119 HydrophobicContact CD2-CE1 4.48Å; S70-Y119 CarbonylContact O-C 3.44Å; S70-Y119 WeakPolarHBondContact O-CA 3.28Å; E71-Y119 HydrophobicContact CB-CE1 4.45Å; E71-Y119 HydrophobicContact CG-CD1 4.09Å; E71-Y119 HydrophobicContact CG-CE1 3.41Å; E71-Y119 VanDerWaalsContact CG-CE1 3.41Å; L113-Y119 HydrophobicContact CB-CD2 4.46Å; L113-Y119 HydrophobicContact CB-CE2 3.83Å; L113-Y119 HydrophobicContact CD1-CD2 4.39Å; L113-Y119 HydrophobicContact CD2-CD1 3.97Å; L113-Y119 HydrophobicContact CD2-CD2 4.29Å; L113-Y119 HydrophobicContact CD2-CE1 3.7Å; L113-Y119 HydrophobicContact CD2-CE2 4.03Å; L113-Y119 HydrophobicContact CD2-CG 4.26Å; L113-Y119 HydrophobicContact CG-CE2 4.34Å; K114-Y119 PolarHBondContact N-OH 3.02Å; T117-Y119 HydrophobicContact CG2-CD2 4.42Å; T117-Y119 HydrophobicContact CG2-CE2 3.82Å; T117-Y119 VanDerWaalsContact O-CD2 3.26Å; T117-Y119 WeakPolarHBondContact O-CD2 3.23Å; Y119-S137 CarbonylContact O-C 3.58Å; Y119-S137 WeakPolarHBondContact O-CA 3.45Å; Y119-S137 PolarHBondContact O-OG 2.8Å; Y119-F138 PolarHBondContact N-O 2.85Å; Y119-F138 PolarHBondContact O-N 2.79Å
120I95.6Very high90.4Very high41 Ų4148 Ų4821%0.2128%0.279CS..EExtended strand (participates in β ladder)trans-98.3127.1168.6-59.2176000107.9Y69 S70 R72 L135 S136Y69-I120 CarbonylContact C-O 3.56Å; Y69-I120 WeakPolarHBondContact CA-O 3.41Å; S70-I120 PolarHBondContact N-O 3.05Å; S70-I120 PolarHBondContact O-N 3.09Å; R72-I120 HydrophobicContact CB-CD1 4.18Å; R72-I120 HydrophobicContact CB-CG1 4.19Å; R72-I120 HydrophobicContact CG-CD1 4.13Å; I120-L135 HydrophobicContact CG2-CD1 3.55Å; I120-L135 HydrophobicContact CG2-CG 4.22Å; I120-S136 CarbonylContact C-O 3.6Å; I120-S136 WeakPolarHBondContact CA-O 3.25Å
121L96.3Very high90.3Very high0 Ų051.6 Ų51.60%031%0.305CS..EExtended strand (participates in β ladder)trans-111.7129.1174.5176.973.1000109.8V39 C41 C52 L110 I123 L135 S136 F138V39-L121 HydrophobicContact CG1-CD2 4.09Å; C41-L121 WeakPolarHBondContact SG-CD2 3.38Å; C52-L121 HydrophobicContact CB-CD2 4.19Å; C52-L121 VanDerWaalsContact SG-CD2 3.5Å; L110-L121 HydrophobicContact CD1-CD1 4.33Å; L110-L121 HydrophobicContact CD2-CD1 4.45Å; L121-I123 HydrophobicContact CD1-CD1 4.42Å; L121-I123 HydrophobicContact CD1-CG1 4.39Å; L121-I123 HydrophobicContact CD2-CD1 3.79Å; L121-I123 HydrophobicContact CD2-CG1 4.5Å; L121-I123 HydrophobicContact CG-CD1 4.1Å; L121-I123 HydrophobicContact CG-CG1 4.27Å; L121-L135 WeakPolarHBondContact O-CA 3.16Å; L121-S136 PolarHBondContact N-O 3.32Å; L121-S136 PolarHBondContact O-N 2.91Å; L121-F138 HydrophobicContact CB-CE1 3.93Å; L121-F138 HydrophobicContact CD2-CE1 4.3Å
122N95.6Very high90.4Very high45 Ų4550.1 Ų50.124%0.24130%0.295CS..EExtended strand (participates in β ladder)trans-122.7118.4175.9-177.212.2000110.1A67 T68 H134 L135A67-N122 WeakPolarHBondContact CA-O 2.91Å; T68-N122 PolarHBondContact N-O 2.95Å; T68-N122 PolarHBondContact O-N 2.81Å; N122-H134 WeakPolarHBondContact CA-O 3.4Å; N122-L135 HydrophobicContact CB-CD1 3.76Å
123I94.8Very high90.8Very high0 Ų049.2 Ų49.20%029%0.285CS..EExtended strand (participates in β ladder)trans-116110.7175.5-68.2158.9000108.6P37 V39 W54 Y65 I66 A67 L121 F133 H134P37-I123 HydrophobicContact CB-CG2 4.35Å; P37-I123 HydrophobicContact CG-CG2 4.27Å; V39-I123 HydrophobicContact CB-CD1 4.07Å; V39-I123 HydrophobicContact CG1-CD1 3.45Å; V39-I123 VanDerWaalsContact CG1-CD1 3.45Å; V39-I123 HydrophobicContact CG2-CB 4.3Å; V39-I123 HydrophobicContact CG2-CD1 3.42Å; V39-I123 VanDerWaalsContact CG2-CD1 3.42Å; V39-I123 HydrophobicContact CG2-CG1 4.45Å; W54-I123 HydrophobicContact CD2-CD1 4.49Å; W54-I123 HydrophobicContact CD2-CG2 4.24Å; W54-I123 HydrophobicContact CE3-CD1 3.68Å; W54-I123 HydrophobicContact CE3-CG2 4.42Å; W54-I123 HydrophobicContact CH2-CD1 4.11Å; W54-I123 HydrophobicContact CH2-CG1 4.29Å; W54-I123 HydrophobicContact CH2-CG2 4.17Å; W54-I123 HydrophobicContact CZ2-CG2 3.98Å; W54-I123 HydrophobicContact CZ3-CD1 3.46Å; W54-I123 VanDerWaalsContact CZ3-CD1 3.46Å; W54-I123 HydrophobicContact CZ3-CG1 4.12Å; W54-I123 HydrophobicContact CZ3-CG2 4.39Å; Y65-I123 HydrophobicContact CD1-CG2 4.12Å; I66-I123 WeakPolarHBondContact O-CA 3.44Å; A67-I123 HydrophobicContact CB-CG1 3.94Å; L121-I123 HydrophobicContact CD1-CD1 4.42Å; L121-I123 HydrophobicContact CD1-CG1 4.39Å; L121-I123 HydrophobicContact CD2-CD1 3.79Å; L121-I123 HydrophobicContact CD2-CG1 4.5Å; L121-I123 HydrophobicContact CG-CD1 4.1Å; L121-I123 HydrophobicContact CG-CG1 4.27Å; I123-F133 CarbonylContact O-C 3.59Å; I123-F133 VanDerWaalsContact O-CA 3.23Å; I123-F133 WeakPolarHBondContact O-CA 3.41Å; I123-H134 PolarHBondContact N-O 2.82Å; I123-H134 PolarHBondContact O-N 3.1Å
124T92.9Very high90.9Very high29 Ų2951 Ų5118%0.17829%0.293CS..EExtended strand (participates in β ladder)trans-103.1123.6-179.7-54.60000109.8Y65 I66 V126 S132 F133Y65-T124 WeakPolarHBondContact CA-O 3.05Å; I66-T124 PolarHBondContact N-O 3.37Å; I66-T124 PolarHBondContact O-N 2.74Å; T124-V126 HydrophobicContact CG2-CG2 4.04Å; T124-S132 CarbonylContact C-O 3.56Å; T124-S132 WeakPolarHBondContact CA-O 3.32Å; T124-F133 HydrophobicContact CG2-CB 4.47Å
125A90.6Very high91.1Very high0 Ų050.7 Ų50.70%030%0.296CS..EExtended strand (participates in β ladder)trans-92.8125168.800000109.3P34 P37 T63 Y65 S131 S132P34-A125 HydrophobicContact CB-CB 4.43Å; P34-A125 HydrophobicContact CG-CB 4.25Å; P37-A125 HydrophobicContact CG-CB 4.17Å; T63-A125 HydrophobicContact CG2-CB 3.92Å; Y65-A125 HydrophobicContact CD1-CB 4.06Å; Y65-A125 HydrophobicContact CE1-CB 3.6Å; A125-S131 CarbonylContact O-C 3.56Å; A125-S131 WeakPolarHBondContact O-CA 3.46Å; A125-S131 WeakPolarHBondContact O-CB 3.26Å; A125-S132 PolarHBondContact N-O 2.83Å; A125-S132 PolarHBondContact O-N 2.81Å
126V89.2Confident91.2Very high50 Ų5049 Ų4930%0.30329%0.289SS..EExtended strand (participates in β ladder)trans-114.6128.2-178.7-174.40000109.3Q64 I66 T124Q64-V126 HydrophobicContact CB-CB 4.45Å; Q64-V126 PolarHBondContact N-O 3.37Å; Q64-V126 PolarHBondContact O-N 3.21Å; I66-V126 HydrophobicContact CD1-CG2 4.12Å; T124-V126 HydrophobicContact CG2-CG2 4.04Å
127H84.2Confident91.3Very high31 Ų3144.4 Ų44.414%0.14427%0.269CS..EExtended strand (participates in β ladder)trans-128165.8178.9-71.359.4000110.1P34 T63 G129 G130P34-H127 WeakPolarHBondContact CB-CE1 3.3Å; P34-H127 VanDerWaalsContact CB-ND1 3.33Å; P34-H127 WeakPolarHBondContact CB-ND1 3.43Å; P34-H127 HydrophobicContact CG-CB 4.44Å; P34-H127 VanDerWaalsContact CG-ND1 3.29Å; P34-H127 WeakPolarHBondContact CG-ND1 3.35Å; T63-H127 WeakPolarHBondContact CG2-CE1 2.95Å; T63-H127 PolarHBondContact OG1-CE1 3.17Å; T63-H127 PolarHBondContact OG1-NE2 3.01Å; H127-G129 PolarHBondContact O-N 3.02Å; H127-G130 CarbonylContact C-O 3.6Å; H127-G130 WeakPolarHBondContact CA-O 3.22Å; H127-G130 PolarHBondContact N-O 2.8Å; H127-G130 PolarHBondContact O-N 3.32Å
128S81.5Confident91.3Very high106 Ų10643.6 Ų43.674%0.74126%0.263SS*.THydrogen-bonded Turntrans-59.3-29.3176.7530000113.8
129G77.1Confident91.3Very high45 Ų4543.2 Ų43.246%0.46426%0.262SS..THydrogen-bonded Turntrans-95.9-5.5-17900000115.3H127H127-G129 PolarHBondContact O-N 3.02Å
130G84.3Confident91.3Very high33 Ų3342.9 Ų42.934%0.3426%0.261SS..EExtended strand (participates in β ladder)trans155.3-168.7-177.400000113.8H127H127-G130 CarbonylContact C-O 3.6Å; H127-G130 WeakPolarHBondContact CA-O 3.22Å; H127-G130 PolarHBondContact N-O 2.8Å; H127-G130 PolarHBondContact O-N 3.32Å
131S88.4Confident91.2Very high78 Ų7841.5 Ų41.555%0.54525%0.254SS..EExtended strand (participates in β ladder)trans-134.8148.217959.70000111.7A125A125-S131 CarbonylContact O-C 3.56Å; A125-S131 WeakPolarHBondContact O-CA 3.46Å; A125-S131 WeakPolarHBondContact O-CB 3.26Å
132S89.6Confident91.2Very high13 Ų1345.9 Ų45.99%0.09128%0.277CS..EExtended strand (participates in β ladder)trans-125.7160.5166.173.50000109.5P34 S35 T124 A125P34-S132 WeakPolarHBondContact CG-OG 3.49Å; P34-S132 WeakPolarHBondContact O-CB 3.3Å; P34-S132 PolarHBondContact O-OG 3.11Å; S35-S132 PolarHBondContact O-OG 3.08Å; T124-S132 CarbonylContact C-O 3.56Å; T124-S132 WeakPolarHBondContact CA-O 3.32Å; A125-S132 PolarHBondContact N-O 2.83Å; A125-S132 PolarHBondContact O-N 2.81Å
133F91.5Very high91.2Very high122 Ų12244.8 Ų44.854%0.53527%0.271SS..EExtended strand (participates in β ladder)trans-141.8152.3178.971.3-84.3000112.2I123 T124 L135I123-F133 CarbonylContact O-C 3.59Å; I123-F133 VanDerWaalsContact O-CA 3.23Å; I123-F133 WeakPolarHBondContact O-CA 3.41Å; T124-F133 HydrophobicContact CG2-CB 4.47Å; F133-L135 HydrophobicContact CD2-CB 4.08Å; F133-L135 HydrophobicContact CE2-CB 3.99Å
134H94.1Very high91.2Very high51 Ų5144.8 Ų44.824%0.23627%0.271CS..EExtended strand (participates in β ladder)trans-112.9121.4168.1178.390.7000108.4P37 V39 N122 I123 S136P37-H134 HydrophobicContact CB-CB 4.44Å; P37-H134 PolarHBondContact O-ND1 3.26Å; V39-H134 HydrophobicContact CG2-CB 3.86Å; V39-H134 VanDerWaalsContact CG2-CD2 3.46Å; V39-H134 WeakPolarHBondContact CG2-CD2 3.1Å; N122-H134 WeakPolarHBondContact CA-O 3.4Å; I123-H134 PolarHBondContact N-O 2.82Å; I123-H134 PolarHBondContact O-N 3.1Å; H134-S136 WeakPolarHBondContact NE2-CB 3.43Å; H134-S136 PolarHBondContact NE2-OG 2.9Å
135L95.4Very high91.4Very high101 Ų10145 Ų4553%0.52927%0.269SS..EExtended strand (participates in β ladder)trans-113.6124.3175.5-168.972.7000108.9I120 L121 N122 F133I120-L135 HydrophobicContact CG2-CD1 3.55Å; I120-L135 HydrophobicContact CG2-CG 4.22Å; L121-L135 WeakPolarHBondContact O-CA 3.16Å; N122-L135 HydrophobicContact CB-CD1 3.76Å; F133-L135 HydrophobicContact CD2-CB 4.08Å; F133-L135 HydrophobicContact CE2-CB 3.99Å
136S95.4Very high91.6Very high32 Ų3245 Ų4522%0.22427%0.27CS..EExtended strand (participates in β ladder)trans-136161.5176.7560000111.3I120 L121 H134I120-S136 CarbonylContact C-O 3.6Å; I120-S136 WeakPolarHBondContact CA-O 3.25Å; L121-S136 PolarHBondContact N-O 3.32Å; L121-S136 PolarHBondContact O-N 2.91Å; H134-S136 WeakPolarHBondContact NE2-CB 3.43Å; H134-S136 PolarHBondContact NE2-OG 2.9Å
137S95.1Very high91.9Very high46 Ų4645.2 Ų45.232%0.32227%0.269SS..EExtended strand (participates in β ladder)trans-128.1142173.7-164.30000109.7R72 E118 Y119R72-S137 VanDerWaalsContact NH2-CB 3.25Å; R72-S137 PolarHBondContact NH2-OG 2.9Å; E118-S137 VanDerWaalsContact CD-OG 3.28Å; E118-S137 WeakPolarHBondContact CG-OG 2.95Å; E118-S137 WeakPolarHBondContact OE1-CB 3.33Å; E118-S137 PolarHBondContact OE1-OG 3.21Å; Y119-S137 CarbonylContact O-C 3.58Å; Y119-S137 WeakPolarHBondContact O-CA 3.45Å; Y119-S137 PolarHBondContact O-OG 2.8Å
138F95.4Very high92.5Very high14 Ų1445.7 Ų45.76%0.06128%0.275CS..EExtended strand (participates in β ladder)trans-155.9156.2177.864.6-91.1000111.5L110 L113 Y119 L121 I143L110-F138 HydrophobicContact CD1-CZ 3.86Å; L113-F138 HydrophobicContact CD1-CE2 3.78Å; L113-F138 HydrophobicContact CD1-CZ 4.09Å; Y119-F138 PolarHBondContact N-O 2.85Å; Y119-F138 PolarHBondContact O-N 2.79Å; L121-F138 HydrophobicContact CB-CE1 3.93Å; L121-F138 HydrophobicContact CD2-CE1 4.3Å; F138-I143 HydrophobicContact CB-CG2 3.96Å; F138-I143 HydrophobicContact CD2-CD1 3.55Å; F138-I143 HydrophobicContact CD2-CG1 4.08Å; F138-I143 HydrophobicContact CD2-CG2 4.17Å; F138-I143 HydrophobicContact CE2-CD1 3.5Å; F138-I143 VanDerWaalsContact CE2-CD1 3.5Å; F138-I143 HydrophobicContact CE2-CG1 4.45Å; F138-I143 HydrophobicContact CG-CD1 4.43Å; F138-I143 HydrophobicContact CG-CG2 4.2Å; F138-I143 HydrophobicContact CZ-CD1 4.33Å
139M95.3Very high93.1Very high64 Ų6441 Ų4132%0.31524%0.241SC..  trans-103157.8159-58.5-178.7-6900109.6E118 E141 D142E118-M139 HydrophobicContact CB-CG 4.18Å; E118-M139 HydrophobicContact CG-CG 4.37Å; M139-E141 VanDerWaalsContact CB-OE2 3.31Å; M139-E141 WeakPolarHBondContact CB-OE2 3.23Å; M139-E141 PolarHBondContact O-N 2.79Å; M139-D142 PolarHBondContact N-OD2 3.41Å; M139-D142 PolarHBondContact O-N 3.36Å; M139-D142 VanDerWaalsContact O-N 3.11Å
140L94.4Very high94.1Very high0 Ų041.2 Ų41.20%023%0.234CC..G310 helixtrans-56.4-37.8178.6-86.6178.7000111.9C43 Y46 P47 T50 L113 L115 D142 I143 V144C43-L140 HydrophobicContact CB-CD2 4.47Å; Y46-L140 HydrophobicContact CE2-CB 3.97Å; P47-L140 HydrophobicContact CB-CD1 3.99Å; T50-L140 WeakPolarHBondContact OG1-CD2 3.44Å; L113-L140 HydrophobicContact CB-CD1 3.7Å; L113-L140 HydrophobicContact CB-CD2 3.95Å; L113-L140 HydrophobicContact CB-CG 3.79Å; L113-L140 HydrophobicContact CD1-CD2 3.87Å; L113-L140 HydrophobicContact CD1-CG 4.31Å; L113-L140 HydrophobicContact CG-CD2 4.46Å; L113-L140 WeakPolarHBondContact O-CD1 3.44Å; L115-L140 HydrophobicContact CD2-CB 4.44Å; L115-L140 HydrophobicContact CD2-CD1 3.87Å; L140-D142 PolarHBondContact O-N 3.24Å; L140-I143 HydrophobicContact CD2-CD1 4.46Å; L140-I143 WeakPolarHBondContact O-CG1 3.42Å; L140-I143 PolarHBondContact O-N 2.05Å; L140-V144 WeakPolarHBondContact O-CG2 3.41Å; L140-V144 PolarHBondContact O-N 2.78Å
141E94.8Very high94.7Very high12 Ų1244.4 Ų44.46%0.05624%0.243CC..G310 helixtrans-60.2-30.7179.9-65.974.7-169.300112.7Y46 L115 L116 M139 L230 G231Y46-E141 PolarHBondContact OH-OE1 2.79Å; L115-E141 WeakPolarHBondContact CA-OE1 3.41Å; L116-E141 HydrophobicContact CD2-CG 4.23Å; L116-E141 PolarHBondContact N-OE1 3.22Å; L116-E141 PolarHBondContact N-OE2 2.75Å; M139-E141 VanDerWaalsContact CB-OE2 3.31Å; M139-E141 WeakPolarHBondContact CB-OE2 3.23Å; M139-E141 PolarHBondContact O-N 2.79Å; E141-L230 HydrophobicContact CB-CD1 4.18Å; E141-L230 HydrophobicContact CB-CD2 4.26Å; E141-L230 HydrophobicContact CG-CD1 4Å; E141-L230 WeakPolarHBondContact O-CB 3.39Å; E141-G231 PolarHBondContact O-N 3Å
142D94.9Very high95.1Very high91 Ų9141.8 Ų41.849%0.48722%0.224SC..G310 helixtrans-80.4-25.7-178.1-59.2-42.2000112M139 L140 G231M139-D142 PolarHBondContact N-OD2 3.41Å; M139-D142 PolarHBondContact O-N 3.36Å; M139-D142 VanDerWaalsContact O-N 3.11Å; L140-D142 PolarHBondContact O-N 3.24Å; D142-G231 WeakPolarHBondContact O-CA 3.23Å
143I95.7Very high95.5Very high22 Ų2249.2 Ų49.211%0.11325%0.25CC..SBendtrans-108.47.7-172.765.9163000113.1C41 W42 C43 T50 F138 L140 K145C41-I143 HydrophobicContact CB-CD1 4.33Å; W42-I143 CarbonylContact C-O 3.51Å; W42-I143 VanDerWaalsContact CA-O 3.24Å; W42-I143 WeakPolarHBondContact CA-O 3.47Å; C43-I143 HydrophobicContact CB-CG1 4.37Å; C43-I143 PolarHBondContact N-O 3.13Å; T50-I143 HydrophobicContact CG2-CD1 3.52Å; F138-I143 HydrophobicContact CB-CG2 3.96Å; F138-I143 HydrophobicContact CD2-CD1 3.55Å; F138-I143 HydrophobicContact CD2-CG1 4.08Å; F138-I143 HydrophobicContact CD2-CG2 4.17Å; F138-I143 HydrophobicContact CE2-CD1 3.5Å; F138-I143 VanDerWaalsContact CE2-CD1 3.5Å; F138-I143 HydrophobicContact CE2-CG1 4.45Å; F138-I143 HydrophobicContact CG-CD1 4.43Å; F138-I143 HydrophobicContact CG-CG2 4.2Å; F138-I143 HydrophobicContact CZ-CD1 4.33Å; L140-I143 HydrophobicContact CD2-CD1 4.46Å; L140-I143 WeakPolarHBondContact O-CG1 3.42Å; L140-I143 PolarHBondContact O-N 2.05Å; I143-K145 PolarHBondContact O-N 3.17Å
144V95.9Very high95.7Very high0 Ų044.3 Ų44.30%023%0.23CC..BIsolated β-bridgetrans-59.3122.7174.4-172.60000109.8Y46 L140 W172 E226 L230 G231 Q232Y46-V144 HydrophobicContact CD2-CG1 4.46Å; Y46-V144 HydrophobicContact CD2-CG2 3.42Å; Y46-V144 VanDerWaalsContact CD2-CG2 3.42Å; Y46-V144 HydrophobicContact CE2-CG2 3.57Å; Y46-V144 HydrophobicContact CG-CG1 4.43Å; Y46-V144 HydrophobicContact CG-CG2 4.1Å; L140-V144 WeakPolarHBondContact O-CG2 3.41Å; L140-V144 PolarHBondContact O-N 2.78Å; V144-W172 HydrophobicContact CG1-CH2 3.61Å; V144-W172 HydrophobicContact CG1-CZ3 4.06Å; V144-E226 HydrophobicContact CG1-CB 3.99Å; V144-L230 HydrophobicContact CG2-CB 4.36Å; V144-G231 CarbonylContact O-C 3.56Å; V144-G231 VanDerWaalsContact O-CA 3.31Å; V144-G231 WeakPolarHBondContact O-CA 3.47Å; V144-Q232 PolarHBondContact O-N 2.96Å
145K95.9Very high95.8Very high33 Ų3344.1 Ų44.114%0.14323%0.234CC..  trans-150.293.6175.7-177.1-176.4167.379.80107.5W42 C43 S44 I143 Q232 C233 D235W42-K145 HydrophobicContact CB-CB 4.1Å; W42-K145 HydrophobicContact CB-CD 4.48Å; C43-K145 CarbonylContact O-C 3.49Å; C43-K145 PolarHBondContact O-N 2.94Å; S44-K145 VanDerWaalsContact CA-O 3.29Å; S44-K145 WeakPolarHBondContact CA-O 3.27Å; I143-K145 PolarHBondContact O-N 3.17Å; K145-Q232 HydrophobicContact CG-CB 4.4Å; K145-C233 PolarHBondContact NZ-O 3.24Å; K145-D235 IonicContact NZ-OD1 2.75Å; K145-D235 PolarHBondContact NZ-OD1 3.19Å
146P94.8Very high95.6Very high2 Ų241.8 Ų41.81%0.01323%0.225CC..PPolyproline II helixtrans-57.8161.2178.4-19.430.7000111.5W172 L180 A224 S234P146-W172 HydrophobicContact CB-CE3 3.81Å; P146-W172 HydrophobicContact CB-CZ3 3.95Å; P146-W172 HydrophobicContact CG-CE3 4.01Å; P146-W172 HydrophobicContact CG-CH2 4.12Å; P146-W172 HydrophobicContact CG-CZ3 3.69Å; P146-L180 HydrophobicContact CB-CD2 4.32Å; P146-L180 HydrophobicContact CG-CD2 3.79Å; P146-A224 HydrophobicContact CB-CB 4.15Å; P146-A224 HydrophobicContact CG-CB 4.48Å; P146-S234 WeakPolarHBondContact O-CA 3.09Å; P146-S234 WeakPolarHBondContact O-CB 3.33Å
147D95.3Very high95.2Very high54 Ų5445 Ų4529%0.28924%0.239SC..PPolyproline II helixtrans-69.9161.6165.5-68.1-45000111P169 T171 S234D147-P169 HydrophobicContact CB-CB 3.96Å; D147-P169 WeakPolarHBondContact O-CB 3.27Å; D147-P169 WeakPolarHBondContact O-CG 3.33Å; D147-T171 VanDerWaalsContact OD2-CB 3.25Å; D147-T171 WeakPolarHBondContact OD2-CB 3.48Å; D147-T171 VanDerWaalsContact OD2-CG2 3.29Å; D147-T171 WeakPolarHBondContact OD2-CG2 3.3Å; D147-T171 PolarHBondContact OD2-OG1 2.8Å; D147-S234 VanDerWaalsContact O-CB 3.3Å; D147-S234 WeakPolarHBondContact O-CB 3.44Å
148P96.8Very high94.5Very high41 Ų4144.5 Ų44.527%0.26624%0.238SC..PPolyproline II helixtrans-62.5147178.5-23.835000113.1D235P148-D235 WeakPolarHBondContact CB-O 3.3Å; P148-D235 HydrophobicContact CG-CB 4.01Å; P148-D235 WeakPolarHBondContact CG-O 3.13Å
149P95.6Very high93.9Very high6 Ų645.4 Ų45.44%0.03925%0.245CC..PPolyproline II helixtrans-55.1147.3167.7-23.632.9000112.2W166 Y182 V222 A224P149-W166 HydrophobicContact CB-CB 4.32Å; P149-W166 HydrophobicContact CB-CG 4.35Å; P149-Y182 HydrophobicContact CG-CD1 3.97Å; P149-Y182 HydrophobicContact CG-CE1 4.01Å; P149-V222 HydrophobicContact CB-CB 4.45Å; P149-V222 HydrophobicContact CB-CG1 4.5Å; P149-V222 WeakPolarHBondContact CD-O 3.17Å; P149-V222 HydrophobicContact CG-CB 4.18Å; P149-V222 HydrophobicContact CG-CG1 3.98Å; P149-A224 HydrophobicContact CG-CB 4.01Å
150V96.6Very high93.6Very high51 Ų5147.7 Ų47.731%0.30925%0.253SS..EExtended strand (participates in β ladder)trans-110.9171.8179.5-570000111.1V152 S167 P170V150-V152 PolarHBondContact O-N 3.37Å; V150-V152 VanDerWaalsContact O-N 3.13Å; V150-S167 PolarHBondContact N-O 2Å; V150-S167 VanDerWaalsContact N-O 3.11Å; V150-S167 PolarHBondContact O-N 2.9Å; V150-P170 HydrophobicContact CG1-CG 4.41Å; V150-P170 HydrophobicContact CG2-CG 4.11Å
151D96.6Very high93.5Very high100 Ų10050.4 Ų50.454%0.53527%0.266SS..EExtended strand (participates in β ladder)trans52.835.5177.2-60-43.8000115R153D151-R153 WeakPolarHBondContact O-CG 3.45Å; D151-R153 PolarHBondContact O-N 2.91Å
152V97.5Very high93.5Very high23 Ų2349.9 Ų49.914%0.13926%0.263CS..EExtended strand (participates in β ladder)trans-65124.3178.8-174.10000110V150 V164 E165 W166 V222 V240V150-V152 PolarHBondContact O-N 3.37Å; V150-V152 VanDerWaalsContact O-N 3.13Å; V152-V164 HydrophobicContact CG1-CG1 4.45Å; V152-E165 CarbonylContact C-O 3.56Å; V152-E165 VanDerWaalsContact CA-O 3.3Å; V152-E165 WeakPolarHBondContact CA-O 3.45Å; V152-W166 HydrophobicContact CG2-CB 3.97Å; V152-V222 HydrophobicContact CG1-CG2 3.9Å; V152-V222 HydrophobicContact CG2-CB 4.48Å; V152-V222 HydrophobicContact CG2-CG2 4.24Å; V152-V240 HydrophobicContact CB-CG2 4.05Å; V152-V240 HydrophobicContact CG1-CG2 3.87Å; V152-V240 WeakPolarHBondContact O-CG2 3.46Å
153R97.4Very high93.5Very high168 Ų16847.2 Ų47.263%0.63425%0.249SC*.EExtended strand (participates in β ladder)trans-130.5145-179.2-66.4171.1-172.9-147.90.4109.3D151 V164 E165D151-R153 WeakPolarHBondContact O-CG 3.45Å; D151-R153 PolarHBondContact O-N 2.91Å; R153-V164 CarbonylContact O-C 3.52Å; R153-V164 WeakPolarHBondContact O-CA 3.26Å; R153-E165 PolarHBondContact N-O 3.43Å; R153-E165 PolarHBondContact O-N 2.8Å
154V97.1Very high93.5Very high19 Ų1946.2 Ų46.212%0.11524%0.243CC..EExtended strand (participates in β ladder)trans-131.5120.3174.8-168.50000108.7V162 L163 V164 F220 V240 I242V154-V162 HydrophobicContact CG1-CB 3.88Å; V154-V162 HydrophobicContact CG1-CG1 4.38Å; V154-V162 HydrophobicContact CG1-CG2 4.08Å; V154-L163 WeakPolarHBondContact CA-O 3.36Å; V154-V164 HydrophobicContact CG1-CG2 4.18Å; V154-V164 HydrophobicContact CG2-CG1 4.29Å; V154-V164 HydrophobicContact CG2-CG2 4.26Å; V154-F220 HydrophobicContact CB-CD2 4.43Å; V154-F220 HydrophobicContact CG1-CD2 4.1Å; V154-F220 HydrophobicContact CG1-CE2 4.05Å; V154-F220 HydrophobicContact CG1-CG 4.47Å; V154-F220 HydrophobicContact CG1-CZ 4.39Å; V154-F220 HydrophobicContact CG2-CB 3.9Å; V154-F220 HydrophobicContact CG2-CD2 3.91Å; V154-F220 HydrophobicContact CG2-CG 3.93Å; V154-V240 HydrophobicContact CB-CG1 4.15Å; V154-V240 HydrophobicContact CG2-CB 4.01Å; V154-V240 HydrophobicContact CG2-CG1 3.77Å; V154-I242 HydrophobicContact CB-CD1 4.11Å; V154-I242 HydrophobicContact CB-CG1 4.34Å; V154-I242 HydrophobicContact CB-CG2 4.21Å; V154-I242 HydrophobicContact CG1-CD1 3.37Å; V154-I242 HydrophobicContact CG1-CG1 3.93Å
155S94.9Very high93.5Very high47 Ų4749.7 Ų49.733%0.32926%0.26SS..EExtended strand (participates in β ladder)trans-118.9138.4177.760.30000110.4L157 V162 L163S155-L157 PolarHBondContact O-N 3.05Å; S155-V162 CarbonylContact O-C 3.54Å; S155-V162 VanDerWaalsContact O-CA 3.3Å; S155-V162 WeakPolarHBondContact O-CA 3.4Å; S155-L163 PolarHBondContact N-O 3.32Å; S155-L163 PolarHBondContact O-N 3.45Å
156P91.6Very high93.5Very high52 Ų5248.4 Ų48.434%0.33825%0.254SS..EExtended strand (participates in β ladder)trans-74129.1174.932.7-34.7000109.5P245 L249P156-P245 HydrophobicContact CB-CG 3.71Å; P156-P245 HydrophobicContact CG-CG 4.06Å; P156-L249 HydrophobicContact CB-CD1 3.72Å; P156-L249 HydrophobicContact CG-CD1 3.84Å; P156-L249 VanDerWaalsContact O-CD1 3.3Å; P156-L249 WeakPolarHBondContact O-CD1 3.24Å
157L88.1Confident93.5Very high99 Ų9950.3 Ų50.352%0.51827%0.267SS..EExtended strand (participates in β ladder)trans-100.2-34-179.6-172.467.6000111.5S155 H161 E208S155-L157 PolarHBondContact O-N 3.05Å; L157-H161 HydrophobicContact CB-CB 4.35Å; L157-H161 PolarHBondContact N-O 3.18Å; L157-E208 HydrophobicContact CD2-CG 4.01Å
158A80.6Confident93.4Very high37 Ų3749.9 Ų49.931%0.30627%0.268SS..EExtended strand (participates in β ladder)trans-155177.2175.900000109.6K160 H161A158-K160 PolarHBondContact O-N 3.21Å; A158-H161 HydrophobicContact CB-CB 4.11Å; A158-H161 PolarHBondContact N-O 2.99Å; A158-H161 PolarHBondContact O-N 3.31Å; A158-H161 VanDerWaalsContact O-N 3.15Å; A158-H161 VanDerWaalsContact O-O 3.1Å
159T81.9Confident93.3Very high32 Ų3248 Ų4820%0.19626%0.256CS..THydrogen-bonded Turntrans-55.4-18.2-176.5-46.10000114.7P214 I244 T247T159-P214 HydrophobicContact CG2-CB 4.38Å; T159-P214 HydrophobicContact CG2-CG 4.08Å; T159-P214 WeakPolarHBondContact O-CG 3.41Å; T159-I244 VanDerWaalsContact O-CG2 3.28Å; T159-I244 WeakPolarHBondContact O-CG2 3.44Å; T159-T247 PolarHBondContact OG1-O 3.47Å
160K89.4Confident93.2Very high113 Ų11352.5 Ų52.549%0.49129%0.285SS..THydrogen-bonded Turntrans-134.46.8179.1-61.4-172.4-179.9-1800113.9A158 G211 L212 P214A158-K160 PolarHBondContact O-N 3.21Å; K160-G211 PolarHBondContact O-N 3.24Å; K160-L212 WeakPolarHBondContact CB-O 3.24Å; K160-L212 WeakPolarHBondContact CG-O 3.4Å; K160-L212 PolarHBondContact O-N 3.12Å; K160-L212 VanDerWaalsContact O-N 3.07Å; K160-P214 HydrophobicContact CG-CG 3.96Å
161H91.6Very high92.9Very high57 Ų5753 Ų5326%0.26429%0.288SS..EExtended strand (participates in β ladder)trans-125.7140.5-170.6-59.4-170000109.6L157 A158 E208 L209L157-H161 HydrophobicContact CB-CB 4.35Å; L157-H161 PolarHBondContact N-O 3.18Å; A158-H161 HydrophobicContact CB-CB 4.11Å; A158-H161 PolarHBondContact N-O 2.99Å; A158-H161 PolarHBondContact O-N 3.31Å; A158-H161 VanDerWaalsContact O-N 3.15Å; A158-H161 VanDerWaalsContact O-O 3.1Å; H161-E208 IonicContact CE1-OE1 3.82Å; H161-E208 IonicContact CG-OE1 3.12Å; H161-E208 IonicContact ND1-OE1 2.81Å; H161-E208 PolarHBondContact ND1-OE1 2.97Å; H161-L209 VanDerWaalsContact CA-O 3.27Å; H161-L209 WeakPolarHBondContact CA-O 3.11Å
162V94.9Very high92.7Very high0 Ų048.6 Ų48.60%026%0.264CS..EExtended strand (participates in β ladder)trans-130147174.5-60.70000109.3V154 S155 V164 E208 L209 L212 F220 I242 I244V154-V162 HydrophobicContact CG1-CB 3.88Å; V154-V162 HydrophobicContact CG1-CG1 4.38Å; V154-V162 HydrophobicContact CG1-CG2 4.08Å; S155-V162 CarbonylContact O-C 3.54Å; S155-V162 VanDerWaalsContact O-CA 3.3Å; S155-V162 WeakPolarHBondContact O-CA 3.4Å; V162-V164 HydrophobicContact CG2-CG2 4.29Å; V162-E208 CarbonylContact O-C 3.56Å; V162-E208 WeakPolarHBondContact O-CA 3.29Å; V162-L209 HydrophobicContact CG2-CB 3.81Å; V162-L209 HydrophobicContact CG2-CD1 4.38Å; V162-L209 HydrophobicContact CG2-CG 4.42Å; V162-L209 PolarHBondContact N-O 2.99Å; V162-L209 PolarHBondContact O-N 2.94Å; V162-L212 HydrophobicContact CB-CD1 4.14Å; V162-L212 HydrophobicContact CG1-CD1 3.61Å; V162-L212 HydrophobicContact CG2-CD1 3.44Å; V162-L212 VanDerWaalsContact CG2-CD1 3.44Å; V162-F220 HydrophobicContact CG2-CE1 4.05Å; V162-F220 HydrophobicContact CG2-CZ 4.05Å; V162-I242 HydrophobicContact CB-CD1 4.4Å; V162-I242 HydrophobicContact CG1-CD1 3.65Å; V162-I244 HydrophobicContact CG1-CD1 3.5Å
163L94.9Very high92.3Very high36 Ų3652.1 Ų52.119%0.18829%0.286CS..EExtended strand (participates in β ladder)trans-98.3119166.9-177.466.9000107.7V154 S155 E165 K206V154-L163 WeakPolarHBondContact CA-O 3.36Å; S155-L163 PolarHBondContact N-O 3.32Å; S155-L163 PolarHBondContact O-N 3.45Å; L163-E165 HydrophobicContact CD1-CG 4.46Å; L163-E165 HydrophobicContact CD2-CG 3.93Å; L163-E165 HydrophobicContact CG-CG 3.76Å; L163-K206 HydrophobicContact CD1-CB 4.19Å
164V95.7Very high91.8Very high0 Ų045.2 Ų45.20%026%0.263CS..EExtended strand (participates in β ladder)trans-97.6129.1170.6-1750000107V152 R153 V154 V162 W166 I184 K206 A207 L209 F220 V222V152-V164 HydrophobicContact CG1-CG1 4.45Å; R153-V164 CarbonylContact O-C 3.52Å; R153-V164 WeakPolarHBondContact O-CA 3.26Å; V154-V164 HydrophobicContact CG1-CG2 4.18Å; V154-V164 HydrophobicContact CG2-CG1 4.29Å; V154-V164 HydrophobicContact CG2-CG2 4.26Å; V162-V164 HydrophobicContact CG2-CG2 4.29Å; V164-W166 HydrophobicContact CB-CZ3 4.31Å; V164-W166 HydrophobicContact CG1-CE3 4Å; V164-W166 HydrophobicContact CG1-CZ3 4.07Å; V164-W166 WeakPolarHBondContact O-CZ3 3.05Å; V164-I184 HydrophobicContact CB-CD1 4.02Å; V164-I184 HydrophobicContact CG1-CD1 4.05Å; V164-I184 HydrophobicContact CG2-CD1 4.31Å; V164-K206 CarbonylContact O-C 3.56Å; V164-K206 WeakPolarHBondContact O-CA 3.06Å; V164-A207 PolarHBondContact N-O 3.16Å; V164-A207 PolarHBondContact O-N 2.79Å; V164-L209 HydrophobicContact CG2-CD1 3.72Å; V164-L209 HydrophobicContact CG2-CG 4.11Å; V164-F220 HydrophobicContact CG2-CD1 4.11Å; V164-V222 HydrophobicContact CG1-CG2 4.19Å
165E95.9Very high91.4Very high73 Ų7346.7 Ų46.734%0.34127%0.272SS..EExtended strand (participates in β ladder)trans-129.9150.6178.9-54.4-175.2101.800109.5V152 R153 L163 T205 K206V152-E165 CarbonylContact C-O 3.56Å; V152-E165 VanDerWaalsContact CA-O 3.3Å; V152-E165 WeakPolarHBondContact CA-O 3.45Å; R153-E165 PolarHBondContact N-O 3.43Å; R153-E165 PolarHBondContact O-N 2.8Å; L163-E165 HydrophobicContact CD1-CG 4.46Å; L163-E165 HydrophobicContact CD2-CG 3.93Å; L163-E165 HydrophobicContact CG-CG 3.76Å; E165-T205 CarbonylContact C-O 3.56Å; E165-T205 VanDerWaalsContact CA-O 3.26Å; E165-T205 WeakPolarHBondContact CA-O 3.42Å; E165-K206 HydrophobicContact CB-CB 4.39Å; E165-K206 HydrophobicContact CG-CB 3.82Å
166W95.9Very high91Very high7 Ų751.9 Ų51.93%0.02730%0.296CS..EExtended strand (participates in β ladder)trans-152.9177.9179.259.195.9000110.5P149 V152 V164 Y182 I184 L199 N204 T205 A207 V222P149-W166 HydrophobicContact CB-CB 4.32Å; P149-W166 HydrophobicContact CB-CG 4.35Å; V152-W166 HydrophobicContact CG2-CB 3.97Å; V164-W166 HydrophobicContact CB-CZ3 4.31Å; V164-W166 HydrophobicContact CG1-CE3 4Å; V164-W166 HydrophobicContact CG1-CZ3 4.07Å; V164-W166 WeakPolarHBondContact O-CZ3 3.05Å; W166-Y182 AromaticContact CD1-CD1 3.98Å; W166-Y182 AromaticContact CD1-CE1 3.77Å; W166-Y182 AromaticContact CE2-CD2 3.87Å; W166-Y182 AromaticContact CE2-CG 3.72Å; W166-Y182 HydrophobicContact CZ2-CD1 4.45Å; W166-Y182 AromaticContact CZ2-CD2 3.71Å; W166-Y182 HydrophobicContact CZ2-CD2 3.71Å; W166-Y182 HydrophobicContact CZ2-CE2 4.45Å; W166-Y182 AromaticContact CZ2-CG 3.71Å; W166-Y182 HydrophobicContact CZ2-CG 3.71Å; W166-Y182 AromaticContact NE1-CD1 3.24Å; W166-Y182 AromaticContact NE1-CD2 3.43Å; W166-Y182 AromaticContact NE1-CE1 3.28Å; W166-Y182 VanDerWaalsContact NE1-CE1 3.28Å; W166-Y182 AromaticContact NE1-CE2 3.48Å; W166-Y182 AromaticContact NE1-CG 3.31Å; W166-Y182 VanDerWaalsContact NE1-CG 3.31Å; W166-Y182 AromaticContact NE1-CZ 3.41Å; W166-I184 HydrophobicContact CH2-CD1 4.15Å; W166-I184 HydrophobicContact CZ3-CD1 3.87Å; W166-I184 HydrophobicContact CZ3-CG1 4.49Å; W166-L199 HydrophobicContact CH2-CD1 3.47Å; W166-L199 VanDerWaalsContact CH2-CD1 3.47Å; W166-L199 HydrophobicContact CZ2-CD1 4.09Å; W166-L199 HydrophobicContact CZ3-CD1 4.4Å; W166-N204 WeakPolarHBondContact CZ2-O 3Å; W166-T205 PolarHBondContact N-O 2.83Å; W166-T205 WeakPolarHBondContact O-CB 3.38Å; W166-T205 PolarHBondContact O-OG1 2.92Å; W166-T205 VanDerWaalsContact O-OG1 3.09Å; W166-A207 HydrophobicContact CH2-CB 4.08Å; W166-A207 HydrophobicContact CZ3-CB 4.21Å; W166-V222 HydrophobicContact CD2-CG1 4.06Å; W166-V222 HydrophobicContact CD2-CG2 4.41Å; W166-V222 HydrophobicContact CE3-CG1 4.43Å; W166-V222 HydrophobicContact CE3-CG2 4.17Å; W166-V222 HydrophobicContact CG-CG1 4.35Å
167S95.1Very high91Very high41 Ų4155.4 Ų55.429%0.28731%0.311SS..EExtended strand (participates in β ladder)trans-119150.4167.6-64.70000109.6V150V150-S167 PolarHBondContact N-O 2Å; V150-S167 VanDerWaalsContact N-O 3.11Å; V150-S167 PolarHBondContact O-N 2.9Å
168P93.6Very high91.1Very high46 Ų4652.6 Ų52.630%0.29929%0.294SS..  trans-59.8158.4171.6-1932.9000111.3P170 T205P168-P170 WeakPolarHBondContact O-CD 3.25Å; P168-T205 HydrophobicContact CG-CG2 4.11Å
169P94.2Very high91.6Very high2 Ų252.6 Ų52.61%0.01329%0.291CS..  trans-61.5126.6174.6-16.230.2000109.9D147 T171 W172 L180 A224D147-P169 HydrophobicContact CB-CB 3.96Å; D147-P169 WeakPolarHBondContact O-CB 3.27Å; D147-P169 WeakPolarHBondContact O-CG 3.33Å; P169-T171 PolarHBondContact O-N 2.84Å; P169-T171 VanDerWaalsContact O-N 3.09Å; P169-W172 HydrophobicContact CB-CB 4.42Å; P169-W172 WeakPolarHBondContact O-CB 3.13Å; P169-W172 PolarHBondContact O-N 2.04Å; P169-L180 HydrophobicContact CG-CD1 4.27Å; P169-A224 HydrophobicContact CG-CB 4.15Å
170P92.9Very high92.1Very high100 Ų10051.7 Ų51.765%0.64929%0.285SS*.THydrogen-bonded Turntrans-60.3-23.3-177.2-26.535.1000114.4V150 P168 W172V150-P170 HydrophobicContact CG1-CG 4.41Å; V150-P170 HydrophobicContact CG2-CG 4.11Å; P168-P170 WeakPolarHBondContact O-CD 3.25Å; P170-W172 VanDerWaalsContact C-N 3.3Å
171T91.8Very high92.3Very high61 Ų6149 Ų4937%0.37427%0.273SS..THydrogen-bonded Turntrans-74.4-18.3176.751.50000113.1S45 D147 P169 T173S45-T171 VanDerWaalsContact CB-O 3.23Å; S45-T171 WeakPolarHBondContact CB-O 3.16Å; S45-T171 PolarHBondContact OG-O 3.27Å; D147-T171 VanDerWaalsContact OD2-CB 3.25Å; D147-T171 WeakPolarHBondContact OD2-CB 3.48Å; D147-T171 VanDerWaalsContact OD2-CG2 3.29Å; D147-T171 WeakPolarHBondContact OD2-CG2 3.3Å; D147-T171 PolarHBondContact OD2-OG1 2.8Å; P169-T171 PolarHBondContact O-N 2.84Å; P169-T171 VanDerWaalsContact O-N 3.09Å; T171-T173 PolarHBondContact O-N 2.89Å
172W91.6Very high92.4Very high7 Ų747.3 Ų47.33%0.02727%0.265CS..  trans-88.678.5178.5-163-85.9000110.9Y46 V144 P146 P169 P170 S174 F178 L180Y46-W172 HydrophobicContact CG-CH2 4.23Å; V144-W172 HydrophobicContact CG1-CH2 3.61Å; V144-W172 HydrophobicContact CG1-CZ3 4.06Å; P146-W172 HydrophobicContact CB-CE3 3.81Å; P146-W172 HydrophobicContact CB-CZ3 3.95Å; P146-W172 HydrophobicContact CG-CE3 4.01Å; P146-W172 HydrophobicContact CG-CH2 4.12Å; P146-W172 HydrophobicContact CG-CZ3 3.69Å; P169-W172 HydrophobicContact CB-CB 4.42Å; P169-W172 WeakPolarHBondContact O-CB 3.13Å; P169-W172 PolarHBondContact O-N 2.04Å; P170-W172 VanDerWaalsContact C-N 3.3Å; W172-S174 VanDerWaalsContact C-N 3.34Å; W172-S174 PolarHBondContact O-N 2.82Å; W172-F178 HydrophobicContact CZ2-CB 4.07Å; W172-F178 PolarHBondContact NE1-O 2.9Å; W172-L180 HydrophobicContact CB-CD1 4.17Å; W172-L180 HydrophobicContact CD2-CD1 4.25Å; W172-L180 HydrophobicContact CD2-CD2 3.93Å; W172-L180 HydrophobicContact CD2-CG 4.32Å; W172-L180 HydrophobicContact CE3-CD2 4.45Å; W172-L180 HydrophobicContact CG-CD1 3.79Å; W172-L180 HydrophobicContact CG-CD2 4.31Å; W172-L180 HydrophobicContact CG-CG 4.19Å; W172-L180 HydrophobicContact CH2-CD2 4.32Å; W172-L180 HydrophobicContact CZ2-CD2 3.81Å
173T89.8Confident92.4Very high98 Ų9849.7 Ų49.760%0.60128%0.276SS*.THydrogen-bonded Turntrans-79.7-15.1-172.4590000114.3T171 T175T171-T173 PolarHBondContact O-N 2.89Å; T173-T175 PolarHBondContact O-N 2.85Å
174S86.9Confident92.4Very high22 Ų2248 Ų4815%0.15427%0.267CS..THydrogen-bonded Turntrans-97.531.4-173-530000112.8W172 D176 I177 F178W172-S174 VanDerWaalsContact C-N 3.34Å; W172-S174 PolarHBondContact O-N 2.82Å; S174-D176 PolarHBondContact O-N 2.79Å; S174-D176 VanDerWaalsContact O-N 3.14Å; S174-I177 PolarHBondContact O-N 2.88Å; S174-I177 VanDerWaalsContact O-N 3.1Å; S174-F178 PolarHBondContact O-N 3.24Å
175T87.7Confident92.4Very high50 Ų5049 Ų4931%0.30727%0.272SS..THydrogen-bonded Turntrans-56-31.1-175.643.80000114.1T173 I177 F178 P179T173-T175 PolarHBondContact O-N 2.85Å; T175-I177 VanDerWaalsContact C-N 3.29Å; T175-I177 PolarHBondContact O-N 3.04Å; T175-F178 CarbonylContact O-C 3.46Å; T175-P179 VanDerWaalsContact O-CA 3.28Å; T175-P179 WeakPolarHBondContact O-CA 3.16Å
176D87.3Confident92.4Very high156 Ų15646.9 Ų46.983%0.83426%0.261SS*.THydrogen-bonded Turntrans-71.9-26.7-177.4-57.7-24.1000112.5S174S174-D176 PolarHBondContact O-N 2.79Å; S174-D176 VanDerWaalsContact O-N 3.14Å
177I90.1Very high92.3Very high126 Ų12649.6 Ų49.665%0.64627%0.274SS*.THydrogen-bonded Turntrans-102.7-40.2-177.9-54.3174.2000110.2S174 T175 P179S174-I177 PolarHBondContact O-N 2.88Å; S174-I177 VanDerWaalsContact O-N 3.1Å; T175-I177 VanDerWaalsContact C-N 3.29Å; T175-I177 PolarHBondContact O-N 3.04Å; I177-P179 WeakPolarHBondContact O-CD 3.15Å
178F90.9Very high92.2Very high41 Ų4150.5 Ų50.518%0.1827%0.271CS..SBendtrans-122.679.7-179.6-56.5-67.1000109.1Y46 P47 L115 W172 S174 T175Y46-F178 HydrophobicContact CD1-CB 4.18Å; Y46-F178 AromaticContact CD1-CD1 3.68Å; Y46-F178 HydrophobicContact CD1-CD1 3.68Å; Y46-F178 AromaticContact CD1-CD2 3.9Å; Y46-F178 HydrophobicContact CD1-CD2 3.9Å; Y46-F178 AromaticContact CD1-CE1 3.99Å; Y46-F178 HydrophobicContact CD1-CE1 3.99Å; Y46-F178 HydrophobicContact CD1-CE2 4.21Å; Y46-F178 AromaticContact CD1-CG 3.63Å; Y46-F178 HydrophobicContact CD1-CG 3.63Å; Y46-F178 HydrophobicContact CD1-CZ 4.24Å; Y46-F178 AromaticContact CE1-CD1 3.5Å; Y46-F178 HydrophobicContact CE1-CD1 3.5Å; Y46-F178 HydrophobicContact CE1-CD2 4.38Å; Y46-F178 AromaticContact CE1-CE1 3.48Å; Y46-F178 HydrophobicContact CE1-CE1 3.48Å; Y46-F178 VanDerWaalsContact CE1-CE1 3.48Å; Y46-F178 HydrophobicContact CE1-CE2 4.38Å; Y46-F178 AromaticContact CE1-CG 3.97Å; Y46-F178 HydrophobicContact CE1-CG 3.97Å; Y46-F178 AromaticContact CE1-CZ 3.94Å; Y46-F178 HydrophobicContact CE1-CZ 3.94Å; P47-F178 HydrophobicContact CG-CE2 4.28Å; L115-F178 HydrophobicContact CD1-CZ 4.13Å; W172-F178 HydrophobicContact CZ2-CB 4.07Å; W172-F178 PolarHBondContact NE1-O 2.9Å; S174-F178 PolarHBondContact O-N 3.24Å; T175-F178 CarbonylContact O-C 3.46Å
179P91.8Very high91.8Very high36 Ų3653.9 Ų53.923%0.23428%0.283CS..  trans-66.6158.1-177.425.8-31.8000111.4T175 I177 M227T175-P179 VanDerWaalsContact O-CA 3.28Å; T175-P179 WeakPolarHBondContact O-CA 3.16Å; I177-P179 WeakPolarHBondContact O-CD 3.15Å; P179-M227 HydrophobicContact CB-CE 3.79Å; P179-M227 HydrophobicContact CG-CB 3.93Å; P179-M227 HydrophobicContact CG-CE 4.07Å; P179-M227 HydrophobicContact CG-CG 4.13Å; P179-M227 VanDerWaalsContact O-CB 3.27Å; P179-M227 WeakPolarHBondContact O-CB 3.11Å; P179-M227 PolarHBondContact O-N 2.91Å
180L92.6Very high91.1Very high13 Ų1358.9 Ų58.97%0.06831%0.309CS..EExtended strand (participates in β ladder)trans-105.3143.2178.2-66.7173000110.8P146 P169 W172 Y182 A224 K225 M227P146-L180 HydrophobicContact CB-CD2 4.32Å; P146-L180 HydrophobicContact CG-CD2 3.79Å; P169-L180 HydrophobicContact CG-CD1 4.27Å; W172-L180 HydrophobicContact CB-CD1 4.17Å; W172-L180 HydrophobicContact CD2-CD1 4.25Å; W172-L180 HydrophobicContact CD2-CD2 3.93Å; W172-L180 HydrophobicContact CD2-CG 4.32Å; W172-L180 HydrophobicContact CE3-CD2 4.45Å; W172-L180 HydrophobicContact CG-CD1 3.79Å; W172-L180 HydrophobicContact CG-CD2 4.31Å; W172-L180 HydrophobicContact CG-CG 4.19Å; W172-L180 HydrophobicContact CH2-CD2 4.32Å; W172-L180 HydrophobicContact CZ2-CD2 3.81Å; L180-Y182 HydrophobicContact CB-CE1 4.41Å; L180-Y182 HydrophobicContact CB-CE2 4.28Å; L180-A224 HydrophobicContact CD1-CB 4.23Å; L180-K225 CarbonylContact C-O 3.39Å; L180-K225 WeakPolarHBondContact CA-O 3.17Å; L180-K225 WeakPolarHBondContact CD2-O 3.38Å; L180-M227 WeakPolarHBondContact O-CE 3.26Å
181K93.2Very high90.4Very high57 Ų5765.6 Ų65.625%0.24832%0.321CS..EExtended strand (participates in β ladder)trans-105.6162.2162.468-179.4171.2-153.50109.4L199 K225 E226 M227K181-L199 WeakPolarHBondContact CB-O 2.97Å; K181-K225 HydrophobicContact CG-CB 4.04Å; K181-K225 PolarHBondContact N-O 2.75Å; K181-K225 PolarHBondContact O-N 3.31Å; K181-K225 VanDerWaalsContact O-O 3.11Å; K181-E226 VanDerWaalsContact CE-O 3.23Å; K181-E226 WeakPolarHBondContact CE-O 3.12Å; K181-M227 HydrophobicContact CB-CE 4.02Å; K181-M227 HydrophobicContact CB-SD 3.9Å; K181-M227 WeakPolarHBondContact CD-O 3.47Å; K181-M227 WeakPolarHBondContact CE-O 3.33Å; K181-M227 PolarHBondContact NZ-O 3.02Å
182Y94.5Very high89.7Confident21 Ų2164 Ų648%0.08232%0.317CS..EExtended strand (participates in β ladder)trans-130154.3-173.2-59.1-83.2000111.5P149 W166 L180 L199 V222 C223 A224P149-Y182 HydrophobicContact CG-CD1 3.97Å; P149-Y182 HydrophobicContact CG-CE1 4.01Å; W166-Y182 AromaticContact CD1-CD1 3.98Å; W166-Y182 AromaticContact CD1-CE1 3.77Å; W166-Y182 AromaticContact CE2-CD2 3.87Å; W166-Y182 AromaticContact CE2-CG 3.72Å; W166-Y182 HydrophobicContact CZ2-CD1 4.45Å; W166-Y182 AromaticContact CZ2-CD2 3.71Å; W166-Y182 HydrophobicContact CZ2-CD2 3.71Å; W166-Y182 HydrophobicContact CZ2-CE2 4.45Å; W166-Y182 AromaticContact CZ2-CG 3.71Å; W166-Y182 HydrophobicContact CZ2-CG 3.71Å; W166-Y182 AromaticContact NE1-CD1 3.24Å; W166-Y182 AromaticContact NE1-CD2 3.43Å; W166-Y182 AromaticContact NE1-CE1 3.28Å; W166-Y182 VanDerWaalsContact NE1-CE1 3.28Å; W166-Y182 AromaticContact NE1-CE2 3.48Å; W166-Y182 AromaticContact NE1-CG 3.31Å; W166-Y182 VanDerWaalsContact NE1-CG 3.31Å; W166-Y182 AromaticContact NE1-CZ 3.41Å; L180-Y182 HydrophobicContact CB-CE1 4.41Å; L180-Y182 HydrophobicContact CB-CE2 4.28Å; Y182-L199 PolarHBondContact N-O 2.9Å; Y182-L199 WeakPolarHBondContact O-CA 3.23Å; Y182-L199 WeakPolarHBondContact O-CB 3.4Å; Y182-L199 PolarHBondContact O-N 2.76Å; Y182-V222 HydrophobicContact CD1-CG1 4.17Å; Y182-V222 HydrophobicContact CG-CG1 4.48Å; Y182-C223 WeakPolarHBondContact CA-O 3.47Å; Y182-A224 HydrophobicContact CD1-CB 4.03Å; Y182-A224 HydrophobicContact CE1-CB 3.84Å
183Q94.3Very high89.4Confident51 Ų5167.6 Ų67.624%0.23834%0.343CS..EExtended strand (participates in β ladder)trans-127.6133.5170.6-175.9175.3-14.300108.5N197 N198 V222 C223 W236Q183-N197 WeakPolarHBondContact CA-O 3.43Å; Q183-N198 VanDerWaalsContact CG-OD1 3.25Å; Q183-N198 WeakPolarHBondContact CG-OD1 3.34Å; Q183-N198 PolarHBondContact OE1-OD1 3.11Å; Q183-V222 CarbonylContact O-C 3.46Å; Q183-V222 WeakPolarHBondContact O-CA 3.39Å; Q183-C223 PolarHBondContact N-O 3.12Å; Q183-C223 PolarHBondContact O-N 2.76Å; Q183-W236 HydrophobicContact CB-CH2 4.38Å; Q183-W236 HydrophobicContact CG-CH2 3.96Å; Q183-W236 HydrophobicContact CG-CZ3 4.48Å; Q183-W236 WeakPolarHBondContact O-CZ3 3.32Å
184I95.4Very high89.5Confident0 Ų066.2 Ų66.20%034%0.336CS..EExtended strand (participates in β ladder)trans-103.2124.4174.5-54.4178.1000108.7V164 W166 Y186 F196 N197 L199 A207 L209 Q221 V222V164-I184 HydrophobicContact CB-CD1 4.02Å; V164-I184 HydrophobicContact CG1-CD1 4.05Å; V164-I184 HydrophobicContact CG2-CD1 4.31Å; W166-I184 HydrophobicContact CH2-CD1 4.15Å; W166-I184 HydrophobicContact CZ3-CD1 3.87Å; W166-I184 HydrophobicContact CZ3-CG1 4.49Å; I184-Y186 HydrophobicContact CG2-CD1 4.43Å; I184-F196 CarbonylContact O-C 3.52Å; I184-F196 WeakPolarHBondContact O-CA 3.3Å; I184-N197 HydrophobicContact CB-CB 4.45Å; I184-N197 PolarHBondContact N-O 2.86Å; I184-N197 PolarHBondContact O-N 2.84Å; I184-L199 HydrophobicContact CD1-CD1 3.61Å; I184-L199 HydrophobicContact CG1-CD1 3.85Å; I184-A207 HydrophobicContact CD1-CB 3.73Å; I184-L209 HydrophobicContact CD1-CD2 4.42Å; I184-L209 HydrophobicContact CG2-CD1 4.12Å; I184-Q221 CarbonylContact C-O 3.6Å; I184-Q221 WeakPolarHBondContact CA-O 3.46Å; I184-V222 HydrophobicContact CG1-CG1 4.44Å; I184-V222 HydrophobicContact CG1-CG2 4.27Å
185L95.7Very high89.8Confident20 Ų2069.8 Ų69.811%0.10535%0.348CS..EExtended strand (participates in β ladder)trans-97.4128.7166.5165.661.6000108.5P194 K195 F196 F220 Q221 W236L185-P194 HydrophobicContact CD1-CB 3.76Å; L185-K195 WeakPolarHBondContact CA-O 3.37Å; L185-F196 HydrophobicContact CB-CD1 4.23Å; L185-F196 HydrophobicContact CB-CE1 4.18Å; L185-F196 HydrophobicContact CD1-CD1 4.07Å; L185-F196 HydrophobicContact CD1-CE1 3.62Å; L185-F196 HydrophobicContact CD1-CZ 3.98Å; L185-F196 HydrophobicContact CG-CE1 4.31Å; L185-F220 CarbonylContact O-C 3.5Å; L185-F220 WeakPolarHBondContact O-CA 3.24Å; L185-Q221 HydrophobicContact CB-CB 4.49Å; L185-Q221 PolarHBondContact N-O 2.91Å; L185-Q221 PolarHBondContact O-N 2.82Å; L185-W236 HydrophobicContact CB-CD2 4.25Å; L185-W236 HydrophobicContact CB-CE3 3.78Å; L185-W236 HydrophobicContact CB-CH2 3.54Å; L185-W236 HydrophobicContact CB-CZ2 4.01Å; L185-W236 HydrophobicContact CB-CZ3 3.4Å; L185-W236 VanDerWaalsContact CB-CZ3 3.4Å; L185-W236 HydrophobicContact CD2-CD2 4.12Å; L185-W236 HydrophobicContact CD2-CE3 4.47Å; L185-W236 HydrophobicContact CD2-CZ2 4.22Å
186Y95.3Very high89.9Confident29 Ų2972.8 Ų72.811%0.11436%0.357CS..EExtended strand (participates in β ladder)trans-142.3140.9172.566.3-75.2000112.7I184 K195 L209 L212 Y218 Q219 F220I184-Y186 HydrophobicContact CG2-CD1 4.43Å; Y186-K195 HydrophobicContact CD1-CB 4Å; Y186-K195 WeakPolarHBondContact CD1-O 3.34Å; Y186-K195 HydrophobicContact CD2-CB 4.22Å; Y186-K195 HydrophobicContact CE1-CB 3.54Å; Y186-K195 HydrophobicContact CE2-CB 3.81Å; Y186-K195 HydrophobicContact CE2-CD 3.68Å; Y186-K195 HydrophobicContact CE2-CG 4.31Å; Y186-K195 HydrophobicContact CG-CB 4.31Å; Y186-K195 VanDerWaalsContact CZ-CB 3.44Å; Y186-K195 PolarHBondContact N-O 3.42Å; Y186-K195 PolarHBondContact O-N 3.36Å; Y186-L209 HydrophobicContact CD1-CD1 4.04Å; Y186-L209 HydrophobicContact CE1-CD1 4.3Å; Y186-L209 HydrophobicContact CG-CD1 4.27Å; Y186-L212 HydrophobicContact CD2-CD2 3.99Å; Y186-L212 HydrophobicContact CE2-CD2 3.73Å; Y186-Y218 HydrophobicContact CD2-CD1 4.18Å; Y186-Y218 HydrophobicContact CD2-CE1 4.37Å; Y186-Q219 WeakPolarHBondContact CA-O 3.06Å; Y186-F220 VanDerWaalsContact CB-CD1 3.41Å; Y186-F220 HydrophobicContact CD2-CE1 4.24Å; Y186-F220 HydrophobicContact CG-CD1 4.21Å; Y186-F220 HydrophobicContact CG-CE1 4.06Å
187Q94.1Very high90Very high65 Ų6567.8 Ų67.830%0.30433%0.331SS..EExtended strand (participates in β ladder)trans-146.2142.6179.364.8-176.432.300110Y218 Q219Q187-Y218 CarbonylContact O-C 3.5Å; Q187-Y218 WeakPolarHBondContact O-CA 3.22Å; Q187-Q219 HydrophobicContact CG-CB 4.45Å; Q187-Q219 PolarHBondContact N-O 3.46Å; Q187-Q219 PolarHBondContact O-N 2.97Å
188W91.7Very high89.7Confident59 Ų5967.3 Ų67.322%0.22333%0.33CS..EExtended strand (participates in β ladder)trans-78.3154.9167.367.822.2000110.4I190 R191 I213 R216 T217 Y218W188-I190 PolarHBondContact NE1-O 2.82Å; W188-R191 PolarHBondContact NE1-O 2.84Å; W188-R191 VanDerWaalsContact NE1-O 3.12Å; W188-I213 HydrophobicContact CE3-CB 4.24Å; W188-I213 HydrophobicContact CE3-CD1 4Å; W188-I213 HydrophobicContact CH2-CD1 3.56Å; W188-I213 HydrophobicContact CZ3-CB 3.82Å; W188-I213 HydrophobicContact CZ3-CD1 3.14Å; W188-I213 HydrophobicContact CZ3-CG1 4Å; W188-I213 HydrophobicContact CZ3-CG2 4.01Å; W188-R216 HydrophobicContact CE3-CB 3.85Å; W188-R216 HydrophobicContact CE3-CG 3.5Å; W188-R216 VanDerWaalsContact CE3-CG 3.5Å; W188-R216 HydrophobicContact CZ3-CB 4.48Å; W188-R216 HydrophobicContact CZ3-CG 3.64Å; W188-T217 VanDerWaalsContact CA-O 3.24Å; W188-T217 WeakPolarHBondContact CA-O 3.26Å; W188-T217 WeakPolarHBondContact CB-O 3.18Å; W188-Y218 HydrophobicContact CB-CD1 3.85Å; W188-Y218 HydrophobicContact CB-CD2 4.31Å; W188-Y218 HydrophobicContact CB-CE1 3.72Å; W188-Y218 HydrophobicContact CB-CE2 4.22Å; W188-Y218 HydrophobicContact CB-CG 4.14Å; W188-Y218 HydrophobicContact CG-CE1 4.39Å
189E85.5Confident89.3Confident118 Ų11867.1 Ų67.155%0.55133%0.33SS*.THydrogen-bonded Turntrans-72.3-34-171.4-162.9162.7-128.300112.9T217 K241E189-T217 PolarHBondContact N-O 3.23Å; E189-K241 IonicContact OE1-NZ 3.7Å; E189-K241 PolarHBondContact OE1-NZ 3.05Å
190I80.1Confident88Confident107 Ų10768.1 Ų68.155%0.54935%0.347SS..THydrogen-bonded Turntrans-100.6103.8-174.8-56.1173.8000109.9W188 G192W188-I190 PolarHBondContact NE1-O 2.82Å; I190-G192 VanDerWaalsContact C-N 3.33Å; I190-G192 PolarHBondContact O-N 3.24Å
191R77.8Confident86.4Confident241 Ų24170.7 Ų70.791%0.90937%0.365SS*.THydrogen-bonded Turntrans59.138176.7-57-178.1-179.3-128.90.5113.6W188W188-R191 PolarHBondContact NE1-O 2.84Å; W188-R191 VanDerWaalsContact NE1-O 3.12Å
192G76.9Confident84.4Confident27 Ų2775.1 Ų75.128%0.27838%0.384SS..PPolyproline II helixtrans-84.8133.2178.600000112.5I190I190-G192 VanDerWaalsContact C-N 3.33Å; I190-G192 PolarHBondContact O-N 3.24Å
193S86.4Confident82.7Confident83 Ų8383 Ų8358%0.5842%0.421SS*.PPolyproline II helixtrans-79.1138.3157.751.70000109.4K195S193-K195 PolarHBondContact O-N 2.92Å
194P91.6Very high81.6Confident68 Ų6885.1 Ų85.144%0.44243%0.434SS..PPolyproline II helixtrans-53130.3166.9-2735.5000110.8L185 F196L185-P194 HydrophobicContact CD1-CB 3.76Å; P194-F196 HydrophobicContact CB-CE2 4.13Å; P194-F196 HydrophobicContact CB-CZ 4.18Å
195K92.2Very high81.4Confident97 Ų9787.3 Ų87.342%0.42245%0.448SS..EExtended strand (participates in β ladder)trans-114.7142.2170.2-65.8-173.6178.8-173.70109.3L185 Y186 S193L185-K195 WeakPolarHBondContact CA-O 3.37Å; Y186-K195 HydrophobicContact CD1-CB 4Å; Y186-K195 WeakPolarHBondContact CD1-O 3.34Å; Y186-K195 HydrophobicContact CD2-CB 4.22Å; Y186-K195 HydrophobicContact CE1-CB 3.54Å; Y186-K195 HydrophobicContact CE2-CB 3.81Å; Y186-K195 HydrophobicContact CE2-CD 3.68Å; Y186-K195 HydrophobicContact CE2-CG 4.31Å; Y186-K195 HydrophobicContact CG-CB 4.31Å; Y186-K195 VanDerWaalsContact CZ-CB 3.44Å; Y186-K195 PolarHBondContact N-O 3.42Å; Y186-K195 PolarHBondContact O-N 3.36Å; S193-K195 PolarHBondContact O-N 2.92Å
196F91.4Very high81.2Confident113 Ų11391.4 Ų91.450%0.49647%0.465SS..EExtended strand (participates in β ladder)trans-119136.6179.8-59.1-80.7000109.7I184 L185 P194 W236I184-F196 CarbonylContact O-C 3.52Å; I184-F196 WeakPolarHBondContact O-CA 3.3Å; L185-F196 HydrophobicContact CB-CD1 4.23Å; L185-F196 HydrophobicContact CB-CE1 4.18Å; L185-F196 HydrophobicContact CD1-CD1 4.07Å; L185-F196 HydrophobicContact CD1-CE1 3.62Å; L185-F196 HydrophobicContact CD1-CZ 3.98Å; L185-F196 HydrophobicContact CG-CE1 4.31Å; P194-F196 HydrophobicContact CB-CE2 4.13Å; P194-F196 HydrophobicContact CB-CZ 4.18Å; F196-W236 HydrophobicContact CD1-CH2 4.12Å; F196-W236 HydrophobicContact CD1-CZ2 4.39Å; F196-W236 HydrophobicContact CE1-CH2 4.12Å; F196-W236 AromaticContact CE1-CZ2 3.94Å; F196-W236 HydrophobicContact CE1-CZ2 3.94Å
197N88.1Confident81.1Confident52 Ų5290.6 Ų90.628%0.27846%0.464SS..EExtended strand (participates in β ladder)trans-122.5114.3168.8-168.99.2000108.9Q183 I184 L209Q183-N197 WeakPolarHBondContact CA-O 3.43Å; I184-N197 HydrophobicContact CB-CB 4.45Å; I184-N197 PolarHBondContact N-O 2.86Å; I184-N197 PolarHBondContact O-N 2.84Å; N197-L209 HydrophobicContact CB-CD2 4.12Å; N197-L209 WeakPolarHBondContact ND2-CD2 3.31Å
198N84.5Confident81Confident116 Ų11691.1 Ų91.162%0.6247%0.467SS*.EExtended strand (participates in β ladder)trans-86.9126.5177.1-65.1-36.5000108.8Q183Q183-N198 VanDerWaalsContact CG-OD1 3.25Å; Q183-N198 WeakPolarHBondContact CG-OD1 3.34Å; Q183-N198 PolarHBondContact OE1-OD1 3.11Å
199L81.4Confident81.1Confident37 Ų3788.5 Ų88.519%0.19446%0.457CS..EExtended strand (participates in β ladder)trans-116.1117.7-176.9-56.3175.6000108.9W166 K181 Y182 I184 A207W166-L199 HydrophobicContact CH2-CD1 3.47Å; W166-L199 VanDerWaalsContact CH2-CD1 3.47Å; W166-L199 HydrophobicContact CZ2-CD1 4.09Å; W166-L199 HydrophobicContact CZ3-CD1 4.4Å; K181-L199 WeakPolarHBondContact CB-O 2.97Å; Y182-L199 PolarHBondContact N-O 2.9Å; Y182-L199 WeakPolarHBondContact O-CA 3.23Å; Y182-L199 WeakPolarHBondContact O-CB 3.4Å; Y182-L199 PolarHBondContact O-N 2.76Å; I184-L199 HydrophobicContact CD1-CD1 3.61Å; I184-L199 HydrophobicContact CG1-CD1 3.85Å; L199-A207 HydrophobicContact CD1-CB 3.52Å; L199-A207 HydrophobicContact CD2-CB 4.14Å
200G64.7Low81.4Confident57 Ų5788.8 Ų88.859%0.58846%0.457SS*.  trans-84.1175178.900000114.1
201P59.8Low81.9Confident67 Ų6786.3 Ų86.344%0.43546%0.457SS..SBendtrans-57.6154.6-160.43.5-13.4000118.4M227P201-M227 VanDerWaalsContact CA-CE 3.5Å; P201-M227 HydrophobicContact CB-CE 3.29Å; P201-M227 HydrophobicContact CB-CG 4.17Å; P201-M227 HydrophobicContact CB-SD 3.17Å; P201-M227 WeakPolarHBondContact CB-SD 3.46Å; P201-M227 WeakPolarHBondContact CD-SD 3.19Å; P201-M227 HydrophobicContact CG-CE 4.01Å; P201-M227 HydrophobicContact CG-CG 4.08Å; P201-M227 HydrophobicContact CG-SD 3.13Å; P201-M227 WeakPolarHBondContact CG-SD 3.31Å
202F51.7Low82.6Confident150 Ų15075 Ų7566%0.65841%0.414SS*.SBendtrans95.8110.8163.1-69.6-75.9000117.2N204F202-N204 PolarHBondContact O-N 2.89Å
203E57.6Low83.3Confident185 Ų18577.5 Ų77.586%0.86442%0.421SS*.SBendtrans52.4-7.7162.3-60.6-164.6173.600118.5T205E203-T205 VanDerWaalsContact C-N 3.25Å; E203-T205 PolarHBondContact O-N 2.81Å
204N71.7Confident83.6Confident96 Ų9675.7 Ų75.751%0.51341%0.407SS..  trans-82.380.7178-77.2-31000108.6W166 F202 K206W166-N204 WeakPolarHBondContact CZ2-O 3Å; F202-N204 PolarHBondContact O-N 2.89Å; N204-K206 PolarHBondContact O-N 3.48Å; N204-K206 VanDerWaalsContact O-N 3.08Å
205T90.8Very high83.6Confident46 Ų4674.3 Ų74.328%0.28241%0.406SS..SBendtrans-76.228.9157.268.70000110.9E165 W166 P168 E203E165-T205 CarbonylContact C-O 3.56Å; E165-T205 VanDerWaalsContact CA-O 3.26Å; E165-T205 WeakPolarHBondContact CA-O 3.42Å; W166-T205 PolarHBondContact N-O 2.83Å; W166-T205 WeakPolarHBondContact O-CB 3.38Å; W166-T205 PolarHBondContact O-OG1 2.92Å; W166-T205 VanDerWaalsContact O-OG1 3.09Å; P168-T205 HydrophobicContact CG-CG2 4.11Å; E203-T205 VanDerWaalsContact C-N 3.25Å; E203-T205 PolarHBondContact O-N 2.81Å
206K91.8Very high83.6Confident106 Ų10674.4 Ų74.446%0.46140%0.403SS..EExtended strand (participates in β ladder)trans-150.9148.1179.566-174.9177.6-170.80111.7L163 V164 E165 N204L163-K206 HydrophobicContact CD1-CB 4.19Å; V164-K206 CarbonylContact O-C 3.56Å; V164-K206 WeakPolarHBondContact O-CA 3.06Å; E165-K206 HydrophobicContact CB-CB 4.39Å; E165-K206 HydrophobicContact CG-CB 3.82Å; N204-K206 PolarHBondContact O-N 3.48Å; N204-K206 VanDerWaalsContact O-N 3.08Å
207A92.3Very high83.8Confident12 Ų1271.1 Ų71.110%0.09939%0.393CS..EExtended strand (participates in β ladder)trans-148.6135.7174.800000111.8V164 W166 I184 L199V164-A207 PolarHBondContact N-O 3.16Å; V164-A207 PolarHBondContact O-N 2.79Å; W166-A207 HydrophobicContact CH2-CB 4.08Å; W166-A207 HydrophobicContact CZ3-CB 4.21Å; I184-A207 HydrophobicContact CD1-CB 3.73Å; L199-A207 HydrophobicContact CD1-CB 3.52Å; L199-A207 HydrophobicContact CD2-CB 4.14Å
208E93Very high84.1Confident76 Ų7669.1 Ų69.136%0.35538%0.381SS..EExtended strand (participates in β ladder)trans-84.7119170-168.8-169.6175.800109.6L157 H161 V162 K210L157-E208 HydrophobicContact CD2-CG 4.01Å; H161-E208 IonicContact CE1-OE1 3.82Å; H161-E208 IonicContact CG-OE1 3.12Å; H161-E208 IonicContact ND1-OE1 2.81Å; H161-E208 PolarHBondContact ND1-OE1 2.97Å; V162-E208 CarbonylContact O-C 3.56Å; V162-E208 WeakPolarHBondContact O-CA 3.29Å; E208-K210 HydrophobicContact CG-CG 4.38Å; E208-K210 WeakPolarHBondContact OE1-CE 3.22Å; E208-K210 IonicContact OE1-NZ 3.53Å; E208-K210 WeakPolarHBondContact OE2-CE 3.24Å; E208-K210 IonicContact OE2-NZ 2.77Å; E208-K210 PolarHBondContact OE2-NZ 2.83Å; E208-K210 VanDerWaalsContact OE2-NZ 3.13Å
209L92.9Very high84.7Confident4 Ų465.6 Ų65.62%0.02136%0.361CS..EExtended strand (participates in β ladder)trans-100.3130.8172-57.5-180000109.8H161 V162 V164 I184 Y186 N197 F220H161-L209 VanDerWaalsContact CA-O 3.27Å; H161-L209 WeakPolarHBondContact CA-O 3.11Å; V162-L209 HydrophobicContact CG2-CB 3.81Å; V162-L209 HydrophobicContact CG2-CD1 4.38Å; V162-L209 HydrophobicContact CG2-CG 4.42Å; V162-L209 PolarHBondContact N-O 2.99Å; V162-L209 PolarHBondContact O-N 2.94Å; V164-L209 HydrophobicContact CG2-CD1 3.72Å; V164-L209 HydrophobicContact CG2-CG 4.11Å; I184-L209 HydrophobicContact CD1-CD2 4.42Å; I184-L209 HydrophobicContact CG2-CD1 4.12Å; Y186-L209 HydrophobicContact CD1-CD1 4.04Å; Y186-L209 HydrophobicContact CE1-CD1 4.3Å; Y186-L209 HydrophobicContact CG-CD1 4.27Å; N197-L209 HydrophobicContact CB-CD2 4.12Å; N197-L209 WeakPolarHBondContact ND2-CD2 3.31Å; L209-F220 HydrophobicContact CD1-CD1 3.84Å; L209-F220 HydrophobicContact CD1-CE1 3.63Å
210K92Very high85.4Confident125 Ų12563.9 Ų63.954%0.54335%0.352SS..  trans-114.7165.1-175.7-61.1-179.9178.6170.50111.4E208 L212E208-K210 HydrophobicContact CG-CG 4.38Å; E208-K210 WeakPolarHBondContact OE1-CE 3.22Å; E208-K210 IonicContact OE1-NZ 3.53Å; E208-K210 WeakPolarHBondContact OE2-CE 3.24Å; E208-K210 IonicContact OE2-NZ 2.77Å; E208-K210 PolarHBondContact OE2-NZ 2.83Å; E208-K210 VanDerWaalsContact OE2-NZ 3.13Å; K210-L212 VanDerWaalsContact C-N 3.33Å; K210-L212 PolarHBondContact O-N 3.34Å
211G90.9Very high87Confident54 Ų5462.8 Ų62.856%0.55733%0.331SS*.  trans72.925.5174.400000113.8K160K160-G211 PolarHBondContact O-N 3.24Å
212L92.7Very high88.7Confident3 Ų359.6 Ų59.62%0.01631%0.311CS..PPolyproline II helixtrans-77.7151.2172.3-58179.4000110.6K160 V162 Y186 K210 Y218 F220 I244K160-L212 WeakPolarHBondContact CB-O 3.24Å; K160-L212 WeakPolarHBondContact CG-O 3.4Å; K160-L212 PolarHBondContact O-N 3.12Å; K160-L212 VanDerWaalsContact O-N 3.07Å; V162-L212 HydrophobicContact CB-CD1 4.14Å; V162-L212 HydrophobicContact CG1-CD1 3.61Å; V162-L212 HydrophobicContact CG2-CD1 3.44Å; V162-L212 VanDerWaalsContact CG2-CD1 3.44Å; Y186-L212 HydrophobicContact CD2-CD2 3.99Å; Y186-L212 HydrophobicContact CE2-CD2 3.73Å; K210-L212 VanDerWaalsContact C-N 3.33Å; K210-L212 PolarHBondContact O-N 3.34Å; L212-Y218 HydrophobicContact CB-CE2 4.17Å; L212-Y218 HydrophobicContact CD2-CD1 4.17Å; L212-Y218 HydrophobicContact CD2-CE1 3.78Å; L212-Y218 HydrophobicContact CD2-CE2 4.3Å; L212-F220 HydrophobicContact CD1-CE1 4.4Å; L212-F220 HydrophobicContact CD1-CZ 3.99Å; L212-I244 HydrophobicContact CB-CD1 4.2Å; L212-I244 HydrophobicContact CB-CG1 4.03Å; L212-I244 HydrophobicContact CD1-CD1 3.64Å; L212-I244 HydrophobicContact CD1-CG1 4.34Å
213I92.1Very high90.9Very high80 Ų8052.5 Ų52.541%0.4128%0.28SS..PPolyproline II helixtrans-90.6121.3-175.5-65.4168.9000109.1W188 R216 Y218W188-I213 HydrophobicContact CE3-CB 4.24Å; W188-I213 HydrophobicContact CE3-CD1 4Å; W188-I213 HydrophobicContact CH2-CD1 3.56Å; W188-I213 HydrophobicContact CZ3-CB 3.82Å; W188-I213 HydrophobicContact CZ3-CD1 3.14Å; W188-I213 HydrophobicContact CZ3-CG1 4Å; W188-I213 HydrophobicContact CZ3-CG2 4.01Å; I213-R216 HydrophobicContact CB-CG 3.99Å; I213-R216 HydrophobicContact CG2-CG 3.71Å; I213-R216 WeakPolarHBondContact O-CB 3.5Å; I213-R216 PolarHBondContact O-N 3.27Å; I213-Y218 PolarHBondContact N-OH 2.84Å
214P92.7Very high92.7Very high45 Ų4543.7 Ų43.729%0.29224%0.238SC..THydrogen-bonded Turntrans-56.6144.9178.3-2230.9000112.5T159 K160 R216 T246T159-P214 HydrophobicContact CG2-CB 4.38Å; T159-P214 HydrophobicContact CG2-CG 4.08Å; T159-P214 WeakPolarHBondContact O-CG 3.41Å; K160-P214 HydrophobicContact CG-CG 3.96Å; P214-R216 PolarHBondContact O-N 3.22Å; P214-T246 HydrophobicContact CB-CG2 4.42Å
215G91.6Very high93.7Very high40 Ų4041.8 Ų41.841%0.41223%0.226SC..THydrogen-bonded Turntrans75.62.5179.300000115.1I244G215-I244 WeakPolarHBondContact CA-O 3.44Å; G215-I244 PolarHBondContact N-O 3.47Å
216R92.6Very high93.8Very high99 Ų9939.8 Ų39.837%0.37421%0.213SC..  trans-99.8142.3178.5-63.9-77.5-171.2-164.20.5111.1W188 I213 P214 Y218 T243 I244W188-R216 HydrophobicContact CE3-CB 3.85Å; W188-R216 HydrophobicContact CE3-CG 3.5Å; W188-R216 VanDerWaalsContact CE3-CG 3.5Å; W188-R216 HydrophobicContact CZ3-CB 4.48Å; W188-R216 HydrophobicContact CZ3-CG 3.64Å; I213-R216 HydrophobicContact CB-CG 3.99Å; I213-R216 HydrophobicContact CG2-CG 3.71Å; I213-R216 WeakPolarHBondContact O-CB 3.5Å; I213-R216 PolarHBondContact O-N 3.27Å; P214-R216 PolarHBondContact O-N 3.22Å; R216-Y218 HydrophobicContact CB-CD2 4.26Å; R216-Y218 HydrophobicContact CB-CE2 3.75Å; R216-T243 WeakPolarHBondContact O-CA 3.39Å; R216-I244 PolarHBondContact O-N 3.22Å
217T94.2Very high93.8Very high44 Ų4435.9 Ų35.927%0.2720%0.197SC..EExtended strand (participates in β ladder)trans-86.2124.8171.9-48.10000109.9W188 E189 I242 T243W188-T217 VanDerWaalsContact CA-O 3.24Å; W188-T217 WeakPolarHBondContact CA-O 3.26Å; W188-T217 WeakPolarHBondContact CB-O 3.18Å; E189-T217 PolarHBondContact N-O 3.23Å; T217-I242 CarbonylContact C-O 3.6Å; T217-I242 WeakPolarHBondContact CA-O 3.45Å; T217-T243 PolarHBondContact OG1-OG1 3.29Å
218Y95.4Very high93.7Very high9 Ų942.1 Ų42.14%0.03523%0.228CC..EExtended strand (participates in β ladder)trans-113.3146175-74.2-99.1000110.6Y186 Q187 W188 L212 I213 R216 F220 K241 I242 I244Y186-Y218 HydrophobicContact CD2-CD1 4.18Å; Y186-Y218 HydrophobicContact CD2-CE1 4.37Å; Q187-Y218 CarbonylContact O-C 3.5Å; Q187-Y218 WeakPolarHBondContact O-CA 3.22Å; W188-Y218 HydrophobicContact CB-CD1 3.85Å; W188-Y218 HydrophobicContact CB-CD2 4.31Å; W188-Y218 HydrophobicContact CB-CE1 3.72Å; W188-Y218 HydrophobicContact CB-CE2 4.22Å; W188-Y218 HydrophobicContact CB-CG 4.14Å; W188-Y218 HydrophobicContact CG-CE1 4.39Å; L212-Y218 HydrophobicContact CB-CE2 4.17Å; L212-Y218 HydrophobicContact CD2-CD1 4.17Å; L212-Y218 HydrophobicContact CD2-CE1 3.78Å; L212-Y218 HydrophobicContact CD2-CE2 4.3Å; I213-Y218 PolarHBondContact N-OH 2.84Å; R216-Y218 HydrophobicContact CB-CD2 4.26Å; R216-Y218 HydrophobicContact CB-CE2 3.75Å; Y218-F220 VanDerWaalsContact CB-CZ 3.5Å; Y218-F220 HydrophobicContact CG-CE2 4.39Å; Y218-F220 HydrophobicContact CG-CZ 4.14Å; Y218-K241 VanDerWaalsContact O-CA 3.28Å; Y218-K241 WeakPolarHBondContact O-CA 3.21Å; Y218-I242 PolarHBondContact N-O 3.19Å; Y218-I242 PolarHBondContact O-N 3.07Å; Y218-I244 HydrophobicContact CD2-CD1 4.15Å; Y218-I244 HydrophobicContact CD2-CG1 3.65Å; Y218-I244 HydrophobicContact CE2-CG1 3.8Å
219Q96.1Very high93.5Very high43 Ų4339.5 Ų39.520%0.20122%0.221CC..EExtended strand (participates in β ladder)trans-105.2132.7167.3176.8172.6-36.600108.7Y186 Q187 Q221 P239 V240 K241Y186-Q219 WeakPolarHBondContact CA-O 3.06Å; Q187-Q219 HydrophobicContact CG-CB 4.45Å; Q187-Q219 PolarHBondContact N-O 3.46Å; Q187-Q219 PolarHBondContact O-N 2.97Å; Q219-Q221 VanDerWaalsContact NE2-OE1 3.09Å; Q219-P239 VanDerWaalsContact CD-CB 3.49Å; Q219-P239 HydrophobicContact CG-CB 3.59Å; Q219-P239 VanDerWaalsContact NE2-CB 3.32Å; Q219-V240 CarbonylContact C-O 3.55Å; Q219-V240 WeakPolarHBondContact CA-O 3.47Å; Q219-K241 HydrophobicContact CB-CG 4.3Å
220F97.1Very high93.5Very high1 Ų141.8 Ų41.80%0.00423%0.233CC..EExtended strand (participates in β ladder)trans-122.2140179.5-58.2-96000110.4V154 V162 V164 L185 Y186 L209 L212 Y218 V240 I242V154-F220 HydrophobicContact CB-CD2 4.43Å; V154-F220 HydrophobicContact CG1-CD2 4.1Å; V154-F220 HydrophobicContact CG1-CE2 4.05Å; V154-F220 HydrophobicContact CG1-CG 4.47Å; V154-F220 HydrophobicContact CG1-CZ 4.39Å; V154-F220 HydrophobicContact CG2-CB 3.9Å; V154-F220 HydrophobicContact CG2-CD2 3.91Å; V154-F220 HydrophobicContact CG2-CG 3.93Å; V162-F220 HydrophobicContact CG2-CE1 4.05Å; V162-F220 HydrophobicContact CG2-CZ 4.05Å; V164-F220 HydrophobicContact CG2-CD1 4.11Å; L185-F220 CarbonylContact O-C 3.5Å; L185-F220 WeakPolarHBondContact O-CA 3.24Å; Y186-F220 VanDerWaalsContact CB-CD1 3.41Å; Y186-F220 HydrophobicContact CD2-CE1 4.24Å; Y186-F220 HydrophobicContact CG-CD1 4.21Å; Y186-F220 HydrophobicContact CG-CE1 4.06Å; L209-F220 HydrophobicContact CD1-CD1 3.84Å; L209-F220 HydrophobicContact CD1-CE1 3.63Å; L212-F220 HydrophobicContact CD1-CE1 4.4Å; L212-F220 HydrophobicContact CD1-CZ 3.99Å; Y218-F220 VanDerWaalsContact CB-CZ 3.5Å; Y218-F220 HydrophobicContact CG-CE2 4.39Å; Y218-F220 HydrophobicContact CG-CZ 4.14Å; F220-V240 PolarHBondContact N-O 2.78Å; F220-V240 PolarHBondContact O-N 2.85Å; F220-I242 HydrophobicContact CD2-CG1 4.27Å; F220-I242 HydrophobicContact CE2-CD1 4.18Å; F220-I242 HydrophobicContact CE2-CG1 3.62Å
221Q97.4Very high93.6Very high33 Ų3336.9 Ų36.915%0.15422%0.218CC..EExtended strand (participates in β ladder)trans-142150.7174.5-68.6177.8-98.200109.6I184 L185 Q219 W236 S237 P239I184-Q221 CarbonylContact C-O 3.6Å; I184-Q221 WeakPolarHBondContact CA-O 3.46Å; L185-Q221 HydrophobicContact CB-CB 4.49Å; L185-Q221 PolarHBondContact N-O 2.91Å; L185-Q221 PolarHBondContact O-N 2.82Å; Q219-Q221 VanDerWaalsContact NE2-OE1 3.09Å; Q221-W236 HydrophobicContact CB-CB 4.07Å; Q221-W236 HydrophobicContact CB-CD2 4.43Å; Q221-W236 HydrophobicContact CB-CE3 3.97Å; Q221-W236 VanDerWaalsContact NE2-CB 3.32Å; Q221-S237 WeakPolarHBondContact CG-O 3.42Å; Q221-S237 PolarHBondContact NE2-O 3.4Å; Q221-P239 HydrophobicContact CG-CB 3.95Å
222V96.8Very high93.8Very high0 Ų039.2 Ų39.20%021%0.214CC..EExtended strand (participates in β ladder)trans-125138179.9-166.60000108.9P149 V152 V164 W166 Y182 Q183 I184 S237P149-V222 HydrophobicContact CB-CB 4.45Å; P149-V222 HydrophobicContact CB-CG1 4.5Å; P149-V222 WeakPolarHBondContact CD-O 3.17Å; P149-V222 HydrophobicContact CG-CB 4.18Å; P149-V222 HydrophobicContact CG-CG1 3.98Å; V152-V222 HydrophobicContact CG1-CG2 3.9Å; V152-V222 HydrophobicContact CG2-CB 4.48Å; V152-V222 HydrophobicContact CG2-CG2 4.24Å; V164-V222 HydrophobicContact CG1-CG2 4.19Å; W166-V222 HydrophobicContact CD2-CG1 4.06Å; W166-V222 HydrophobicContact CD2-CG2 4.41Å; W166-V222 HydrophobicContact CE3-CG1 4.43Å; W166-V222 HydrophobicContact CE3-CG2 4.17Å; W166-V222 HydrophobicContact CG-CG1 4.35Å; Y182-V222 HydrophobicContact CD1-CG1 4.17Å; Y182-V222 HydrophobicContact CG-CG1 4.48Å; Q183-V222 CarbonylContact O-C 3.46Å; Q183-V222 WeakPolarHBondContact O-CA 3.39Å; I184-V222 HydrophobicContact CG1-CG1 4.44Å; I184-V222 HydrophobicContact CG1-CG2 4.27Å; V222-S237 PolarHBondContact N-OG 2.77Å; V222-S237 WeakPolarHBondContact O-CB 3.21Å; V222-S237 PolarHBondContact O-N 3.2Å
223C96.5Very high93.9Very high1 Ų140.5 Ų40.51%0.00722%0.223CC..EExtended strand (participates in β ladder)trans-119.8149167.579.60000110.2Y182 Q183 C233 S234 W236Y182-C223 WeakPolarHBondContact CA-O 3.47Å; Q183-C223 PolarHBondContact N-O 3.12Å; Q183-C223 PolarHBondContact O-N 2.76Å; C223-C233 VanDerWaalsContact C-SG 3.55Å; C223-C233 HydrophobicContact CB-CB 4.03Å; C223-C233 WeakPolarHBondContact CB-SG 3.29Å; C223-C233 WeakPolarHBondContact SG-CB 3.41Å; C223-C233 CovalentContact SG-SG 2.05Å; C223-C233 PolarHBondContact SG-SG 2.95Å; C223-S234 WeakPolarHBondContact CA-OG 3.13Å; C223-S234 WeakPolarHBondContact CB-OG 3.36Å; C223-W236 HydrophobicContact CB-CD2 4.16Å; C223-W236 HydrophobicContact CB-CE3 3.75Å; C223-W236 HydrophobicContact CB-CH2 4.43Å; C223-W236 HydrophobicContact CB-CZ3 3.91Å
224A95.1Very high94.1Very high0 Ų037 Ų370%021%0.206CC..EExtended strand (participates in β ladder)trans-100.1141177.200000110.5P146 P149 P169 L180 Y182 C233 S234P146-A224 HydrophobicContact CB-CB 4.15Å; P146-A224 HydrophobicContact CG-CB 4.48Å; P149-A224 HydrophobicContact CG-CB 4.01Å; P169-A224 HydrophobicContact CG-CB 4.15Å; L180-A224 HydrophobicContact CD1-CB 4.23Å; Y182-A224 HydrophobicContact CD1-CB 4.03Å; Y182-A224 HydrophobicContact CE1-CB 3.84Å; A224-C233 VanDerWaalsContact C-SG 3.57Å; A224-C233 CarbonylContact O-C 3.56Å; A224-C233 WeakPolarHBondContact O-CA 3.46Å; A224-C233 PolarHBondContact O-SG 3.08Å; A224-S234 PolarHBondContact N-OG 2.81Å; A224-S234 PolarHBondContact O-N 3.34Å
225K93.7Very high94.3Very high56 Ų5639.5 Ų39.524%0.24322%0.217CC..EExtended strand (participates in β ladder)trans-135.9149.3171.9-165.7170.8-165.8-172.40109.8L180 K181 G229 L230 G231L180-K225 CarbonylContact C-O 3.39Å; L180-K225 WeakPolarHBondContact CA-O 3.17Å; L180-K225 WeakPolarHBondContact CD2-O 3.38Å; K181-K225 HydrophobicContact CG-CB 4.04Å; K181-K225 PolarHBondContact N-O 2.75Å; K181-K225 PolarHBondContact O-N 3.31Å; K181-K225 VanDerWaalsContact O-O 3.11Å; K225-G229 WeakPolarHBondContact CE-O 3.4Å; K225-G229 PolarHBondContact NZ-O 3Å; K225-L230 VanDerWaalsContact CE-O 3.26Å; K225-L230 WeakPolarHBondContact CE-O 3.18Å; K225-G231 WeakPolarHBondContact CE-O 3.46Å; K225-G231 PolarHBondContact NZ-O 2.6Å
226E92.4Very high94.6Very high5 Ų541.9 Ų41.92%0.02321%0.213CC..EExtended strand (participates in β ladder)trans-55.7145.2168.7-171.8-70.9136.600110.5V144 K181 L228 G229 L230V144-E226 HydrophobicContact CG1-CB 3.99Å; K181-E226 VanDerWaalsContact CE-O 3.23Å; K181-E226 WeakPolarHBondContact CE-O 3.12Å; E226-L228 PolarHBondContact O-N 3.01Å; E226-L228 PolarHBondContact OE1-N 3Å; E226-L228 VanDerWaalsContact OE2-CA 3.3Å; E226-L228 WeakPolarHBondContact OE2-CA 3.31Å; E226-L228 WeakPolarHBondContact OE2-CB 3.18Å; E226-L228 PolarHBondContact OE2-N 2.85Å; E226-G229 WeakPolarHBondContact O-CA 3.47Å; E226-G229 PolarHBondContact O-N 2.88Å; E226-G229 PolarHBondContact OE2-N 2.87Å; E226-L230 HydrophobicContact CB-CB 4.4Å; E226-L230 HydrophobicContact CG-CB 4.32Å; E226-L230 WeakPolarHBondContact OE2-CB 3.42Å; E226-L230 WeakPolarHBondContact OE2-CG 3.44Å; E226-L230 PolarHBondContact OE2-N 3.18Å; E226-L230 VanDerWaalsContact OE2-N 3.12Å
227M91.3Very high94.8Very high24 Ų2437.3 Ų37.312%0.11820%0.197CC..THydrogen-bonded Turntrans-54.9-51.5-170.6-170.149.161.100115.2P179 L180 K181 P201 G229P179-M227 HydrophobicContact CB-CE 3.79Å; P179-M227 HydrophobicContact CG-CB 3.93Å; P179-M227 HydrophobicContact CG-CE 4.07Å; P179-M227 HydrophobicContact CG-CG 4.13Å; P179-M227 VanDerWaalsContact O-CB 3.27Å; P179-M227 WeakPolarHBondContact O-CB 3.11Å; P179-M227 PolarHBondContact O-N 2.91Å; L180-M227 WeakPolarHBondContact O-CE 3.26Å; K181-M227 HydrophobicContact CB-CE 4.02Å; K181-M227 HydrophobicContact CB-SD 3.9Å; K181-M227 WeakPolarHBondContact CD-O 3.47Å; K181-M227 WeakPolarHBondContact CE-O 3.33Å; K181-M227 PolarHBondContact NZ-O 3.02Å; P201-M227 VanDerWaalsContact CA-CE 3.5Å; P201-M227 HydrophobicContact CB-CE 3.29Å; P201-M227 HydrophobicContact CB-CG 4.17Å; P201-M227 HydrophobicContact CB-SD 3.17Å; P201-M227 WeakPolarHBondContact CB-SD 3.46Å; P201-M227 WeakPolarHBondContact CD-SD 3.19Å; P201-M227 HydrophobicContact CG-CE 4.01Å; P201-M227 HydrophobicContact CG-CG 4.08Å; P201-M227 HydrophobicContact CG-SD 3.13Å; P201-M227 WeakPolarHBondContact CG-SD 3.31Å; M227-G229 PolarHBondContact O-N 2.85Å; M227-G229 VanDerWaalsContact O-N 3.16Å
228L90.8Very high94.9Very high143 Ų14340.1 Ų40.175%0.74922%0.218SC*.THydrogen-bonded Turntrans-69.6-9.5179.2-55.9179.5000111.4E226 L230E226-L228 PolarHBondContact O-N 3.01Å; E226-L228 PolarHBondContact OE1-N 3Å; E226-L228 VanDerWaalsContact OE2-CA 3.3Å; E226-L228 WeakPolarHBondContact OE2-CA 3.31Å; E226-L228 WeakPolarHBondContact OE2-CB 3.18Å; E226-L228 PolarHBondContact OE2-N 2.85Å; L228-L230 HydrophobicContact CB-CG 4.2Å
229G90.1Very high95Very high21 Ų2143 Ų4322%0.21624%0.238CC..  trans8521.4178.100000112.6K225 E226 M227K225-G229 WeakPolarHBondContact CE-O 3.4Å; K225-G229 PolarHBondContact NZ-O 3Å; E226-G229 WeakPolarHBondContact O-CA 3.47Å; E226-G229 PolarHBondContact O-N 2.88Å; E226-G229 PolarHBondContact OE2-N 2.87Å; M227-G229 PolarHBondContact O-N 2.85Å; M227-G229 VanDerWaalsContact O-N 3.16Å
230L92.3Very high95Very high51 Ų5142.6 Ų42.627%0.26724%0.239SC..  trans-60.5149.4171.9-59.4178.8000110.5E141 V144 K225 E226 L228E141-L230 HydrophobicContact CB-CD1 4.18Å; E141-L230 HydrophobicContact CB-CD2 4.26Å; E141-L230 HydrophobicContact CG-CD1 4Å; E141-L230 WeakPolarHBondContact O-CB 3.39Å; V144-L230 HydrophobicContact CG2-CB 4.36Å; K225-L230 VanDerWaalsContact CE-O 3.26Å; K225-L230 WeakPolarHBondContact CE-O 3.18Å; E226-L230 HydrophobicContact CB-CB 4.4Å; E226-L230 HydrophobicContact CG-CB 4.32Å; E226-L230 WeakPolarHBondContact OE2-CB 3.42Å; E226-L230 WeakPolarHBondContact OE2-CG 3.44Å; E226-L230 PolarHBondContact OE2-N 3.18Å; E226-L230 VanDerWaalsContact OE2-N 3.12Å; L228-L230 HydrophobicContact CB-CG 4.2Å
231G94.1Very high95Very high22 Ų2248 Ų4823%0.22726%0.262CS..SBendtrans49-136.3-176.700000115.2E141 D142 V144 K225E141-G231 PolarHBondContact O-N 3Å; D142-G231 WeakPolarHBondContact O-CA 3.23Å; V144-G231 CarbonylContact O-C 3.56Å; V144-G231 VanDerWaalsContact O-CA 3.31Å; V144-G231 WeakPolarHBondContact O-CA 3.47Å; K225-G231 WeakPolarHBondContact CE-O 3.46Å; K225-G231 PolarHBondContact NZ-O 2.6Å
232Q94.1Very high94.8Very high103 Ų10347.9 Ų47.948%0.48126%0.262SS..  trans-114161.6-171.1-59.2-1756.100112.2V144 K145V144-Q232 PolarHBondContact O-N 2.96Å; K145-Q232 HydrophobicContact CG-CB 4.4Å
233C94.5Very high94.7Very high30 Ų3051.9 Ų51.920%0.20329%0.287CS..PPolyproline II helixtrans-68152.6164-138.90000109.2K145 C223 A224K145-C233 PolarHBondContact NZ-O 3.24Å; C223-C233 VanDerWaalsContact C-SG 3.55Å; C223-C233 HydrophobicContact CB-CB 4.03Å; C223-C233 WeakPolarHBondContact CB-SG 3.29Å; C223-C233 WeakPolarHBondContact SG-CB 3.41Å; C223-C233 CovalentContact SG-SG 2.05Å; C223-C233 PolarHBondContact SG-SG 2.95Å; A224-C233 VanDerWaalsContact C-SG 3.57Å; A224-C233 CarbonylContact O-C 3.56Å; A224-C233 WeakPolarHBondContact O-CA 3.46Å; A224-C233 PolarHBondContact O-SG 3.08Å
234S96.8Very high94.6Very high6 Ų651.9 Ų51.94%0.04229%0.287CS..PPolyproline II helixtrans-53.2167.1162.773.70000110.6P146 D147 C223 A224P146-S234 WeakPolarHBondContact O-CA 3.09Å; P146-S234 WeakPolarHBondContact O-CB 3.33Å; D147-S234 VanDerWaalsContact O-CB 3.3Å; D147-S234 WeakPolarHBondContact O-CB 3.44Å; C223-S234 WeakPolarHBondContact CA-OG 3.13Å; C223-S234 WeakPolarHBondContact CB-OG 3.36Å; A224-S234 PolarHBondContact N-OG 2.81Å; A224-S234 PolarHBondContact O-N 3.34Å
235D97Very high94.3Very high99 Ų9953.1 Ų53.153%0.52929%0.294SS..PPolyproline II helixtrans-61.8157.7161.4-57.5-31.3000109.6K145 P148K145-D235 IonicContact NZ-OD1 2.75Å; K145-D235 PolarHBondContact NZ-OD1 3.19Å; P148-D235 WeakPolarHBondContact CB-O 3.3Å; P148-D235 HydrophobicContact CG-CB 4.01Å; P148-D235 WeakPolarHBondContact CG-O 3.13Å
236W97.5Very high94Very high89 Ų8955.2 Ų55.234%0.33731%0.312SS..PPolyproline II helixtrans-67.7140.2177.8-66103000110.1Q183 L185 F196 Q221 C223Q183-W236 HydrophobicContact CB-CH2 4.38Å; Q183-W236 HydrophobicContact CG-CH2 3.96Å; Q183-W236 HydrophobicContact CG-CZ3 4.48Å; Q183-W236 WeakPolarHBondContact O-CZ3 3.32Å; L185-W236 HydrophobicContact CB-CD2 4.25Å; L185-W236 HydrophobicContact CB-CE3 3.78Å; L185-W236 HydrophobicContact CB-CH2 3.54Å; L185-W236 HydrophobicContact CB-CZ2 4.01Å; L185-W236 HydrophobicContact CB-CZ3 3.4Å; L185-W236 VanDerWaalsContact CB-CZ3 3.4Å; L185-W236 HydrophobicContact CD2-CD2 4.12Å; L185-W236 HydrophobicContact CD2-CE3 4.47Å; L185-W236 HydrophobicContact CD2-CZ2 4.22Å; F196-W236 HydrophobicContact CD1-CH2 4.12Å; F196-W236 HydrophobicContact CD1-CZ2 4.39Å; F196-W236 HydrophobicContact CE1-CH2 4.12Å; F196-W236 AromaticContact CE1-CZ2 3.94Å; F196-W236 HydrophobicContact CE1-CZ2 3.94Å; Q221-W236 HydrophobicContact CB-CB 4.07Å; Q221-W236 HydrophobicContact CB-CD2 4.43Å; Q221-W236 HydrophobicContact CB-CE3 3.97Å; Q221-W236 VanDerWaalsContact NE2-CB 3.32Å; C223-W236 HydrophobicContact CB-CD2 4.16Å; C223-W236 HydrophobicContact CB-CE3 3.75Å; C223-W236 HydrophobicContact CB-CH2 4.43Å; C223-W236 HydrophobicContact CB-CZ3 3.91Å
237S98.1Very high93.3Very high4 Ų459.6 Ų59.63%0.02834%0.34CS..PPolyproline II helixtrans-54.6163.7170.672.30000111.8Q221 V222Q221-S237 WeakPolarHBondContact CG-O 3.42Å; Q221-S237 PolarHBondContact NE2-O 3.4Å; V222-S237 PolarHBondContact N-OG 2.77Å; V222-S237 WeakPolarHBondContact O-CB 3.21Å; V222-S237 PolarHBondContact O-N 3.2Å
238S96.3Very high92.2Very high102 Ų10267.4 Ų67.471%0.71337%0.373SS*.PPolyproline II helixtrans-53.3138.8167.8-54.10000110.5
239P96.2Very high90.8Very high71 Ų7168 Ų6846%0.46138%0.376SS..PPolyproline II helixtrans-71.5133.4-175.627.3-34000112.5Q219 Q221Q219-P239 VanDerWaalsContact CD-CB 3.49Å; Q219-P239 HydrophobicContact CG-CB 3.59Å; Q219-P239 VanDerWaalsContact NE2-CB 3.32Å; Q221-P239 HydrophobicContact CG-CB 3.95Å
240V97.3Very high90.8Very high34 Ų3470.4 Ų70.421%0.20638%0.384CS..EExtended strand (participates in β ladder)trans-105.6124.5172.4-176.80000109.3V152 V154 Q219 F220 I242V152-V240 HydrophobicContact CB-CG2 4.05Å; V152-V240 HydrophobicContact CG1-CG2 3.87Å; V152-V240 WeakPolarHBondContact O-CG2 3.46Å; V154-V240 HydrophobicContact CB-CG1 4.15Å; V154-V240 HydrophobicContact CG2-CB 4.01Å; V154-V240 HydrophobicContact CG2-CG1 3.77Å; Q219-V240 CarbonylContact C-O 3.55Å; Q219-V240 WeakPolarHBondContact CA-O 3.47Å; F220-V240 PolarHBondContact N-O 2.78Å; F220-V240 PolarHBondContact O-N 2.85Å; V240-I242 HydrophobicContact CG1-CG2 4.49Å
241K96Very high90.7Very high113 Ų11371.4 Ų71.449%0.49139%0.39SS..EExtended strand (participates in β ladder)trans-107130.2179.6-65.1-171.7179-168.10111.2E189 Y218 Q219E189-K241 IonicContact OE1-NZ 3.7Å; E189-K241 PolarHBondContact OE1-NZ 3.05Å; Y218-K241 VanDerWaalsContact O-CA 3.28Å; Y218-K241 WeakPolarHBondContact O-CA 3.21Å; Q219-K241 HydrophobicContact CB-CG 4.3Å
242I95Very high90.6Very high31 Ų3174.2 Ų74.216%0.15940%0.399CS..EExtended strand (participates in β ladder)trans-140.9151.3171.763.7154000111.9V154 V162 T217 Y218 F220 V240 I244V154-I242 HydrophobicContact CB-CD1 4.11Å; V154-I242 HydrophobicContact CB-CG1 4.34Å; V154-I242 HydrophobicContact CB-CG2 4.21Å; V154-I242 HydrophobicContact CG1-CD1 3.37Å; V154-I242 HydrophobicContact CG1-CG1 3.93Å; V162-I242 HydrophobicContact CB-CD1 4.4Å; V162-I242 HydrophobicContact CG1-CD1 3.65Å; T217-I242 CarbonylContact C-O 3.6Å; T217-I242 WeakPolarHBondContact CA-O 3.45Å; Y218-I242 PolarHBondContact N-O 3.19Å; Y218-I242 PolarHBondContact O-N 3.07Å; F220-I242 HydrophobicContact CD2-CG1 4.27Å; F220-I242 HydrophobicContact CE2-CD1 4.18Å; F220-I242 HydrophobicContact CE2-CG1 3.62Å; V240-I242 HydrophobicContact CG1-CG2 4.49Å; I242-I244 HydrophobicContact CD1-CD1 4.03Å; I242-I244 HydrophobicContact CG1-CD1 4.48Å
243T94Very high90.4Very high85 Ų8572.5 Ų72.552%0.52140%0.395SS..EExtended strand (participates in β ladder)trans-97.7127.1171.6-55.60000109.8R216 T217R216-T243 WeakPolarHBondContact O-CA 3.39Å; T217-T243 PolarHBondContact OG1-OG1 3.29Å
244I93.4Very high90.1Very high1 Ų175.1 Ų75.11%0.00541%0.407CS..PPolyproline II helixtrans-70.4127.9-179.6-52.5-55.6000109.9T159 V162 L212 G215 R216 Y218 I242T159-I244 VanDerWaalsContact O-CG2 3.28Å; T159-I244 WeakPolarHBondContact O-CG2 3.44Å; V162-I244 HydrophobicContact CG1-CD1 3.5Å; L212-I244 HydrophobicContact CB-CD1 4.2Å; L212-I244 HydrophobicContact CB-CG1 4.03Å; L212-I244 HydrophobicContact CD1-CD1 3.64Å; L212-I244 HydrophobicContact CD1-CG1 4.34Å; G215-I244 WeakPolarHBondContact CA-O 3.44Å; G215-I244 PolarHBondContact N-O 3.47Å; R216-I244 PolarHBondContact O-N 3.22Å; Y218-I244 HydrophobicContact CD2-CD1 4.15Å; Y218-I244 HydrophobicContact CD2-CG1 3.65Å; Y218-I244 HydrophobicContact CE2-CG1 3.8Å; I242-I244 HydrophobicContact CD1-CD1 4.03Å; I242-I244 HydrophobicContact CG1-CD1 4.48Å
245P89.6Confident89.7Confident25 Ų2579.7 Ų79.716%0.16243%0.431CS..PPolyproline II helixtrans-58.1140.5-179.8-25.134000112.7P156 L249P156-P245 HydrophobicContact CB-CG 3.71Å; P156-P245 HydrophobicContact CG-CG 4.06Å; P245-L249 HydrophobicContact CG-CD1 4.22Å; P245-L249 HydrophobicContact CG-CD2 4.32Å; P245-L249 HydrophobicContact CG-CG 4.26Å
246T87.2Confident89.1Confident101 Ų10178.4 Ų78.462%0.6242%0.424SS*.SBendtrans-86.3-22.2175.2510000113P214P214-T246 HydrophobicContact CB-CG2 4.42Å
247T78.3Confident88.5Confident97 Ų9777.5 Ų77.560%0.59543%0.43SS*.SBendtrans-102.7165.1177.4530000111T159T159-T247 PolarHBondContact OG1-O 3.47Å
248K68Low87.7Confident188 Ų18883.7 Ų83.782%0.81746%0.464SS*.  trans-67.3133.8166.6-72.8-174.9177.6-177.60108.3
249L61Low86.9Confident156 Ų15682 Ų8282%0.81744%0.441SS*.  trans-70.70168.5-73.2165.2000110P156 P245P156-L249 HydrophobicContact CB-CD1 3.72Å; P156-L249 HydrophobicContact CG-CD1 3.84Å; P156-L249 VanDerWaalsContact O-CD1 3.3Å; P156-L249 WeakPolarHBondContact O-CD1 3.24Å; P245-L249 HydrophobicContact CG-CD1 4.22Å; P245-L249 HydrophobicContact CG-CD2 4.32Å; P245-L249 HydrophobicContact CG-CG 4.26Å

Retrieved 249 of 249 residues in 63.4 ms (Link to these results)