A0A096MPL5_PAPAN Loading...

ARF like GTPase 14 effector protein like

AlphaFold DB , UniProt , Accession A0A096MPL5, Species PAPAN (Papio anubis, Olive baboon), Gene ARL14EPL, Length 152 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
1M36.7Very low33.8Very low239 Ų239148.1 Ų148.1100%1.17778%0.782SS**  0102.70-68.6176.37900107.8
2S37.9Very low34.9Very low98 Ų98150.2 Ų150.269%0.68578%0.784SS**  cis-155.1134.8-16-84.20000105.7
3E34Very low34.5Very low179 Ų179153.4 Ų153.484%0.83679%0.793SS**  trans59.4103.1143.2-60.9165.1152.200117.2
4Q32.6Very low34.1Very low182 Ų182147.4 Ų147.485%0.8579%0.787SS**  43.6115.668.3-89.3179.9-11.200115.7
5S35.8Very low35Very low117 Ų117148.7 Ų148.782%0.81879%0.787SS**  171.1104.2127.835.80000108.9
6E32.4Very low34.8Very low142 Ų142146.7 Ų146.766%0.66478%0.782SS**  60.8123.275.8-76.3-154.6141.300115.9
7K32.7Very low35.5Very low155 Ų155146 Ų14667%0.67478%0.778SS**  trans74.8152.2139.2-70.7170.9-178.5147.90116.6
8N27.3Very low35.7Very low125 Ų125146.2 Ų146.267%0.66877%0.773SS**  cis179154.5-21.4-112.6-21.6000103.3
9N27.5Very low36.9Very low140 Ų140144.3 Ų144.375%0.74977%0.773SS**  trans66.7116.3149.3-67.6-27.7000118
10S42Very low36.9Very low102 Ų102146.2 Ų146.271%0.71378%0.775SS**  85.7137.586.3-173.30000111.4
11I32.9Very low37.1Very low150 Ų150144 Ų14477%0.76977%0.769SS**  trans139.488.8165.2-73.9153000105.2
12Q46.5Very low37.7Very low173 Ų173142 Ų14281%0.80876%0.757SS**  50.412194.3-71-164-3.300112.7
13E30.4Very low38.2Very low192 Ų192146.1 Ų146.190%0.89776%0.762SS**  167.8150.1121.6-91.5177.3-17700111.3
14G29Very low38.9Very low69 Ų69143.7 Ų143.771%0.71176%0.755SS**  trans110.176.114800000116.2T16G14-T16 PolarHBondContact O-N 3.43Å
15H48Very low39.9Very low168 Ų168139.1 Ų139.178%0.77874%0.742SS**  trans-56.9121.8148.8-140-80000108.4D17H15-D17 IonicContact CE1-OD2 3.37Å; H15-D17 PolarHBondContact CE1-OD2 3.37Å; H15-D17 IonicContact ND1-OD2 3.09Å
16T31.3Very low40.7Very low116 Ų116140.9 Ų140.971%0.71274%0.737SS**  trans-145.498.1154.6-46.80000108.4G14 H18G14-T16 PolarHBondContact O-N 3.43Å; T16-H18 PolarHBondContact O-N 3.21Å
17D46.1Very low41.8Very low135 Ų135139.1 Ų139.172%0.72273%0.732SS**  trans-57116.1158.3-74.6-60.9000108.1H15H15-D17 IonicContact CE1-OD2 3.37Å; H15-D17 PolarHBondContact CE1-OD2 3.37Å; H15-D17 IonicContact ND1-OD2 3.09Å
18H40.3Very low43.5Very low149 Ų149133 Ų13369%0.6971%0.712SS**  trans-135.7108.4159.2-118.4-65.6000109.4T16 F20T16-H18 PolarHBondContact O-N 3.21Å; H18-F20 WeakPolarHBondContact O-CD2 3.49Å; H18-F20 PolarHBondContact O-N 3.42Å
19S57.2Low45.8Very low110 Ų110132 Ų13277%0.76970%0.704SS**  trans-46.8125.2169.543.90000111.6
20F37.9Very low48.3Very low182 Ų182132.8 Ų132.880%0.79870%0.701SS**  trans-119.1136.3163.9-84.9-85.4000110.1H18H18-F20 WeakPolarHBondContact O-CD2 3.49Å; H18-F20 PolarHBondContact O-N 3.42Å
21P41.4Very low50.3Low102 Ų102133.4 Ų133.466%0.66269%0.692SS**  trans-72.5145.1-167.129.8-33.6000111.4K23P21-K23 PolarHBondContact O-N 2.73Å
22E48.4Very low52.9Low197 Ų197131.3 Ų131.392%0.92168%0.682SS**SBendtrans-64.146.8-175.7-60.2174.2129.900115
23K47.9Very low54.9Low183 Ų183129.1 Ų129.180%0.79667%0.672SS**  trans-111.718.3-178.2-71.5-170.2178.3-179.90114.5P21P21-K23 PolarHBondContact O-N 2.73Å
24N48.7Very low57.8Low128 Ų128125.6 Ų125.668%0.68466%0.655SS**SBendtrans-110.3-4.5177.3-107-54.2000115G28N24-G28 PolarHBondContact O-N 3.49Å
25C53.4Low60.7Low86 Ų86126.3 Ų126.358%0.58164%0.642SS**Hα-helixtrans-72.9-35.4-169.7-147.40000113.2Q29C25-Q29 WeakPolarHBondContact O-CB 3.38Å; C25-Q29 WeakPolarHBondContact O-CG 3.49Å; C25-Q29 PolarHBondContact O-N 3.33Å; C25-Q29 VanDerWaalsContact O-N 3.12Å
26Q53.8Low62.8Low154 Ų154124.4 Ų124.472%0.7263%0.633SS**Hα-helixtrans-79.5-31.1-174.9-68.4169.67.500113.7K30Q26-K30 WeakPolarHBondContact O-CG 3.13Å; Q26-K30 PolarHBondContact O-N 3.12Å
27I55.3Low65.5Low106 Ų106128 Ų12854%0.54463%0.634SS.*Hα-helixtrans-76-42.7178.3-62.7162.3000109.6Q29 K30 Q31I27-Q29 PolarHBondContact O-N 3.34Å; I27-K30 PolarHBondContact O-N 3.48Å; I27-Q31 PolarHBondContact O-N 2.97Å
28G68.9Low67.5Low26 Ų26126.7 Ų126.727%0.26862%0.623SS.*Hα-helixtrans-62.4-40.2174.500000112.9N24 Q31 L32N24-G28 PolarHBondContact O-N 3.49Å; G28-Q31 PolarHBondContact O-N 3.42Å; G28-L32 VanDerWaalsContact O-CB 3.31Å; G28-L32 WeakPolarHBondContact O-CB 3.31Å; G28-L32 VanDerWaalsContact O-CG 3.28Å; G28-L32 WeakPolarHBondContact O-CG 3.38Å; G28-L32 PolarHBondContact O-N 2.83Å
29Q75.9Confident69.7Low105 Ų105124.8 Ų124.849%0.49162%0.618SS.*Hα-helixtrans-63.3-42.9176.6-78.9172.7-5.700113C25 I27 L32 Q33C25-Q29 WeakPolarHBondContact O-CB 3.38Å; C25-Q29 WeakPolarHBondContact O-CG 3.49Å; C25-Q29 PolarHBondContact O-N 3.33Å; C25-Q29 VanDerWaalsContact O-N 3.12Å; I27-Q29 PolarHBondContact O-N 3.34Å; Q29-L32 PolarHBondContact O-N 3Å; Q29-Q33 VanDerWaalsContact O-CG 3.32Å; Q29-Q33 WeakPolarHBondContact O-CG 3.43Å; Q29-Q33 PolarHBondContact O-N 3.39Å
30K78.1Confident71Confident156 Ų156127.1 Ų127.168%0.67861%0.614SS**Hα-helixtrans-68-39.8176.8-72.5-178.3-179.6-178.90112Q26 I27 Q33 Q34Q26-K30 WeakPolarHBondContact O-CG 3.13Å; Q26-K30 PolarHBondContact O-N 3.12Å; I27-K30 PolarHBondContact O-N 3.48Å; K30-Q33 PolarHBondContact O-N 3.39Å; K30-Q34 WeakPolarHBondContact O-CB 3.32Å; K30-Q34 PolarHBondContact O-N 3.38Å
31Q84.7Confident73Confident115 Ų115123.5 Ų123.554%0.53761%0.61SS.*Hα-helixtrans-63.1-43.8173.3-97.5179-7.900111.8I27 G28 Q34 I35I27-Q31 PolarHBondContact O-N 2.97Å; G28-Q31 PolarHBondContact O-N 3.42Å; Q31-Q34 WeakPolarHBondContact O-CB 3.34Å; Q31-Q34 PolarHBondContact O-N 3.01Å; Q31-I35 WeakPolarHBondContact O-CB 3.36Å; Q31-I35 VanDerWaalsContact O-CG1 3.23Å; Q31-I35 WeakPolarHBondContact O-CG1 3.28Å; Q31-I35 PolarHBondContact O-N 3.26Å
32L87.9Confident74.9Confident106 Ų106125.5 Ų125.556%0.55561%0.614SS**Hα-helixtrans-61.3-45.3176.8-80.2164.6000111.6G28 Q29 Q34 I35 E36G28-L32 VanDerWaalsContact O-CB 3.31Å; G28-L32 WeakPolarHBondContact O-CB 3.31Å; G28-L32 VanDerWaalsContact O-CG 3.28Å; G28-L32 WeakPolarHBondContact O-CG 3.38Å; G28-L32 PolarHBondContact O-N 2.83Å; Q29-L32 PolarHBondContact O-N 3Å; L32-Q34 VanDerWaalsContact C-N 3.3Å; L32-Q34 PolarHBondContact O-N 3.35Å; L32-I35 PolarHBondContact O-N 2.86Å; L32-E36 WeakPolarHBondContact O-CB 3.49Å; L32-E36 WeakPolarHBondContact O-CG 3.23Å; L32-E36 PolarHBondContact O-N 2.96Å
33Q88.3Confident76.5Confident127 Ų127118.7 Ų118.759%0.59359%0.592SS**Hα-helixtrans-62.1-37.7174.9-73.7173.911.100112.5Q29 K30 R37Q29-Q33 VanDerWaalsContact O-CG 3.32Å; Q29-Q33 WeakPolarHBondContact O-CG 3.43Å; Q29-Q33 PolarHBondContact O-N 3.39Å; K30-Q33 PolarHBondContact O-N 3.39Å; Q33-R37 WeakPolarHBondContact O-CB 3.29Å; Q33-R37 PolarHBondContact O-N 3.2Å
34Q91.6Very high77.7Confident118 Ų118118 Ų11855%0.55159%0.589SS**Hα-helixtrans-67.3-42.1176.5-175.7172.9-3.600111.6K30 Q31 L32 R37 Q38K30-Q34 WeakPolarHBondContact O-CB 3.32Å; K30-Q34 PolarHBondContact O-N 3.38Å; Q31-Q34 WeakPolarHBondContact O-CB 3.34Å; Q31-Q34 PolarHBondContact O-N 3.01Å; L32-Q34 VanDerWaalsContact C-N 3.3Å; L32-Q34 PolarHBondContact O-N 3.35Å; Q34-R37 PolarHBondContact O-N 2.97Å; Q34-Q38 WeakPolarHBondContact O-CG 3.48Å; Q34-Q38 PolarHBondContact O-N 2.84Å
35I90.3Very high78.8Confident83 Ų83119.4 Ų119.443%0.42659%0.592SS.*Hα-helixtrans-65.4-46.6176.6-69.6164.3000110.3Q31 L32 R37 Q38 L39Q31-I35 WeakPolarHBondContact O-CB 3.36Å; Q31-I35 VanDerWaalsContact O-CG1 3.23Å; Q31-I35 WeakPolarHBondContact O-CG1 3.28Å; Q31-I35 PolarHBondContact O-N 3.26Å; L32-I35 PolarHBondContact O-N 2.86Å; I35-R37 VanDerWaalsContact C-N 3.29Å; I35-R37 PolarHBondContact O-N 3.49Å; I35-Q38 PolarHBondContact O-N 3.1Å; I35-Q38 VanDerWaalsContact O-N 3.14Å; I35-L39 HydrophobicContact CG2-CD1 3.79Å; I35-L39 HydrophobicContact CG2-CG 4.18Å; I35-L39 WeakPolarHBondContact O-CB 3.42Å; I35-L39 VanDerWaalsContact O-CG 3.28Å; I35-L39 WeakPolarHBondContact O-CG 3.46Å; I35-L39 PolarHBondContact O-N 3.11Å
36E90.8Very high79.2Confident129 Ų129120.7 Ų120.760%0.60359%0.593SS**Hα-helixtrans-57.9-41.8175.1-78.6-178.6171.900112L32 L39 K40L32-E36 WeakPolarHBondContact O-CB 3.49Å; L32-E36 WeakPolarHBondContact O-CG 3.23Å; L32-E36 PolarHBondContact O-N 2.96Å; E36-L39 PolarHBondContact O-N 3.4Å; E36-K40 VanDerWaalsContact O-CB 3.29Å; E36-K40 WeakPolarHBondContact O-CB 3.28Å; E36-K40 PolarHBondContact O-N 3.4Å
37R88.3Confident79.6Confident192 Ų192116.4 Ų116.473%0.72558%0.578SS**Hα-helixtrans-64.4-41.7176.4-173.1173.4173.5-120.3-1111.7Q33 Q34 I35 K40 C41Q33-R37 WeakPolarHBondContact O-CB 3.29Å; Q33-R37 PolarHBondContact O-N 3.2Å; Q34-R37 PolarHBondContact O-N 2.97Å; I35-R37 VanDerWaalsContact C-N 3.29Å; I35-R37 PolarHBondContact O-N 3.49Å; R37-K40 PolarHBondContact O-N 2.8Å; R37-C41 PolarHBondContact O-N 3.43Å; R37-C41 VanDerWaalsContact O-N 3.11Å; R37-C41 PolarHBondContact O-SG 3.14Å
38Q88.8Confident80Confident107 Ų107112.9 Ų112.950%0.557%0.568SS.*Hα-helixtrans-66-44.9175.6-74.9179.1-30.900111.7Q34 I35 K40 C41 L42Q34-Q38 WeakPolarHBondContact O-CG 3.48Å; Q34-Q38 PolarHBondContact O-N 2.84Å; I35-Q38 PolarHBondContact O-N 3.1Å; I35-Q38 VanDerWaalsContact O-N 3.14Å; Q38-K40 VanDerWaalsContact C-N 3.27Å; Q38-K40 PolarHBondContact O-N 3.34Å; Q38-C41 PolarHBondContact O-N 3.32Å; Q38-C41 VanDerWaalsContact O-N 3.1Å; Q38-L42 VanDerWaalsContact O-CG 3.32Å; Q38-L42 WeakPolarHBondContact O-CG 3.38Å; Q38-L42 PolarHBondContact O-N 2.81Å
39L86.8Confident79.7Confident109 Ų109116.1 Ų116.157%0.57159%0.585SS**Hα-helixtrans-59.9-37.8174.9-71173000111.5I35 E36 C41 L42 A43I35-L39 HydrophobicContact CG2-CD1 3.79Å; I35-L39 HydrophobicContact CG2-CG 4.18Å; I35-L39 WeakPolarHBondContact O-CB 3.42Å; I35-L39 VanDerWaalsContact O-CG 3.28Å; I35-L39 WeakPolarHBondContact O-CG 3.46Å; I35-L39 PolarHBondContact O-N 3.11Å; E36-L39 PolarHBondContact O-N 3.4Å; L39-C41 VanDerWaalsContact C-N 3.35Å; L39-C41 PolarHBondContact O-N 2.79Å; L39-L42 CarbonylContact O-C 3.6Å; L39-L42 PolarHBondContact O-N 2.87Å; L39-A43 WeakPolarHBondContact O-CB 3.32Å; L39-A43 PolarHBondContact O-N 3.36Å
40K85Confident78.7Confident159 Ų159118.3 Ų118.369%0.69160%0.595SS**Hα-helixtrans-68.2-30.9175.5-168.7172.1-174.1173.70113.4E36 R37 Q38E36-K40 VanDerWaalsContact O-CB 3.29Å; E36-K40 WeakPolarHBondContact O-CB 3.28Å; E36-K40 PolarHBondContact O-N 3.4Å; R37-K40 PolarHBondContact O-N 2.8Å; Q38-K40 VanDerWaalsContact C-N 3.27Å; Q38-K40 PolarHBondContact O-N 3.34Å
41C78.8Confident77.7Confident106 Ų106115.8 Ų115.872%0.71659%0.592SS**Hα-helixtrans-79.2-29174-68.40000112.9R37 Q38 L39R37-C41 PolarHBondContact O-N 3.43Å; R37-C41 VanDerWaalsContact O-N 3.11Å; R37-C41 PolarHBondContact O-SG 3.14Å; Q38-C41 PolarHBondContact O-N 3.32Å; Q38-C41 VanDerWaalsContact O-N 3.1Å; L39-C41 VanDerWaalsContact C-N 3.35Å; L39-C41 PolarHBondContact O-N 2.79Å
42L81.1Confident76.4Confident143 Ų143113.6 Ų113.675%0.74959%0.594SS**Hα-helixtrans-83.3-19.7174.5-67.2169.7000112.4Q38 L39 F44Q38-L42 VanDerWaalsContact O-CG 3.32Å; Q38-L42 WeakPolarHBondContact O-CG 3.38Å; Q38-L42 PolarHBondContact O-N 2.81Å; L39-L42 CarbonylContact O-C 3.6Å; L39-L42 PolarHBondContact O-N 2.87Å; L42-F44 PolarHBondContact O-N 2.84Å; L42-F44 VanDerWaalsContact O-N 3.07Å
43A81.7Confident75.1Confident55 Ų55115.9 Ų115.946%0.45561%0.607SS.*SBendtrans-58.7116174.900000108.7L39 Q45L39-A43 WeakPolarHBondContact O-CB 3.32Å; L39-A43 PolarHBondContact O-N 3.36Å; A43-Q45 VanDerWaalsContact C-N 3.3Å; A43-Q45 PolarHBondContact O-N 2.91Å
44F72.9Confident74.1Confident168 Ų168116.1 Ų116.174%0.73761%0.606SS**  trans-58.599.2167.6178.9-109.4000107.4L42 N46L42-F44 PolarHBondContact O-N 2.84Å; L42-F44 VanDerWaalsContact O-N 3.07Å; F44-N46 HydrophobicContact CD1-CB 3.76Å; F44-N46 HydrophobicContact CE1-CB 3.42Å; F44-N46 VanDerWaalsContact CE1-CB 3.42Å; F44-N46 HydrophobicContact CZ-CB 4.32Å; F44-N46 PolarHBondContact O-N 3.07Å
45Q72.4Confident73.4Confident157 Ų157113.9 Ų113.973%0.73460%0.598SS**  trans-6987.6161.1-72-178.516.800104.8A43 P47A43-Q45 VanDerWaalsContact C-N 3.3Å; A43-Q45 PolarHBondContact O-N 2.91Å; Q45-P47 WeakPolarHBondContact O-CD 3.17Å
46N62.5Low73Confident113 Ų113114 Ų11460%0.60460%0.604SS**  trans-50.3113.7162.2-174.4-12.9000103.9F44 G48F44-N46 HydrophobicContact CD1-CB 3.76Å; F44-N46 HydrophobicContact CE1-CB 3.42Å; F44-N46 VanDerWaalsContact CE1-CB 3.42Å; F44-N46 HydrophobicContact CZ-CB 4.32Å; F44-N46 PolarHBondContact O-N 3.07Å; N46-G48 PolarHBondContact O-N 2.71Å; N46-G48 PolarHBondContact OD1-N 2.85Å
47P62.6Low72.8Confident64 Ų64113.7 Ų113.742%0.41660%0.602SS.*  trans-57.8-8-174.67.3-11.5000111.3Q45 Q50Q45-P47 WeakPolarHBondContact O-CD 3.17Å; P47-Q50 VanDerWaalsContact CA-NE2 3.27Å; P47-Q50 HydrophobicContact CB-CB 4.05Å; P47-Q50 HydrophobicContact CB-CG 3.85Å; P47-Q50 WeakPolarHBondContact O-CG 3.11Å; P47-Q50 PolarHBondContact O-NE2 2.73Å
48G63.7Low72.7Confident32 Ų32107.1 Ų107.133%0.3358%0.584SS.*  trans61.7-170.7-16000000106.3N46 Q50N46-G48 PolarHBondContact O-N 2.71Å; N46-G48 PolarHBondContact OD1-N 2.85Å; G48-Q50 PolarHBondContact O-N 3.3Å
49P60.9Low72.4Confident95 Ų95110.2 Ų110.262%0.61759%0.591SS**SBendtrans-80.165.4-177.639.8-38.4000109V51 A52P49-V51 PolarHBondContact O-N 3.1Å; P49-A52 HydrophobicContact CB-CB 3.37Å; P49-A52 HydrophobicContact CG-CB 3.75Å; P49-A52 WeakPolarHBondContact O-CB 3.18Å; P49-A52 PolarHBondContact O-N 3.42Å
50Q56.6Low72.4Confident150 Ų150110.3 Ų110.370%0.70159%0.588SS**THydrogen-bonded Turntrans-60.3-6.3161.6-73.2173.835.300111.5P47 G48P47-Q50 VanDerWaalsContact CA-NE2 3.27Å; P47-Q50 HydrophobicContact CB-CB 4.05Å; P47-Q50 HydrophobicContact CB-CG 3.85Å; P47-Q50 WeakPolarHBondContact O-CG 3.11Å; P47-Q50 PolarHBondContact O-NE2 2.73Å; G48-Q50 PolarHBondContact O-N 3.3Å
51V56.5Low72.6Confident104 Ų104108.6 Ų108.663%0.6358%0.583SS**THydrogen-bonded Turntrans-104.8-7.3165.9-115.70000115P49 D53 F54P49-V51 PolarHBondContact O-N 3.1Å; V51-D53 VanDerWaalsContact C-N 3.27Å; V51-D53 PolarHBondContact O-N 2.81Å; V51-F54 HydrophobicContact CB-CB 4.28Å; V51-F54 HydrophobicContact CG1-CB 3.7Å; V51-F54 HydrophobicContact CG1-CD2 4.07Å; V51-F54 HydrophobicContact CG1-CG 3.92Å; V51-F54 WeakPolarHBondContact O-CB 3.37Å; V51-F54 PolarHBondContact O-N 2.76Å; V51-F54 VanDerWaalsContact O-N 3.1Å
52A57.5Low73Confident69 Ų69110 Ų11057%0.5758%0.577SS**THydrogen-bonded Turntrans-60.9-41.9175.500000110.9P49 F54P49-A52 HydrophobicContact CB-CB 3.37Å; P49-A52 HydrophobicContact CG-CB 3.75Å; P49-A52 WeakPolarHBondContact O-CB 3.18Å; P49-A52 PolarHBondContact O-N 3.42Å; A52-F54 PolarHBondContact O-N 3.01Å
53D60.6Low73.4Confident154 Ų154109.7 Ų109.782%0.82457%0.569SS**THydrogen-bonded Turntrans-90.613.1179.7-59.4-28.9000112V51 N55V51-D53 VanDerWaalsContact C-N 3.27Å; V51-D53 PolarHBondContact O-N 2.81Å; D53-N55 PolarHBondContact O-N 3.41Å
54F66Low73.8Confident132 Ų132113.2 Ų113.258%0.57957%0.574SS**  trans-74.180.1175.5-153.4-91.1000109.3V51 A52 P56V51-F54 HydrophobicContact CB-CB 4.28Å; V51-F54 HydrophobicContact CG1-CB 3.7Å; V51-F54 HydrophobicContact CG1-CD2 4.07Å; V51-F54 HydrophobicContact CG1-CG 3.92Å; V51-F54 WeakPolarHBondContact O-CB 3.37Å; V51-F54 PolarHBondContact O-N 2.76Å; V51-F54 VanDerWaalsContact O-N 3.1Å; A52-F54 PolarHBondContact O-N 3.01Å; F54-P56 WeakPolarHBondContact O-CD 3.48Å
55N77.3Confident74.6Confident71 Ų71107.7 Ų107.738%0.3856%0.56SS.*  trans-90.9104.6171.3-174.3-23.5000109.1D53 E57 T58 R59D53-N55 PolarHBondContact O-N 3.41Å; N55-E57 PolarHBondContact O-N 3.26Å; N55-E57 WeakPolarHBondContact OD1-CA 3.42Å; N55-E57 WeakPolarHBondContact OD1-CB 3.21Å; N55-E57 PolarHBondContact OD1-N 2.89Å; N55-T58 WeakPolarHBondContact CB-OG1 3.42Å; N55-T58 VanDerWaalsContact CG-OG1 3.22Å; N55-T58 PolarHBondContact ND2-OG1 2.73Å; N55-T58 PolarHBondContact O-N 3.34Å; N55-T58 PolarHBondContact OD1-N 3.25Å; N55-R59 PolarHBondContact O-N 3.5Å; N55-R59 VanDerWaalsContact O-N 3.17Å
56P83.4Confident75.4Confident84 Ų84109.7 Ų109.755%0.54556%0.561SS.*Hα-helixtrans-60.3-30.2179.123.7-32.5000112.3F54 R59 Q60F54-P56 WeakPolarHBondContact O-CD 3.48Å; P56-R59 PolarHBondContact O-N 3.11Å; P56-Q60 WeakPolarHBondContact O-CB 3.49Å; P56-Q60 PolarHBondContact O-N 3.48Å
57E85.9Confident76.6Confident124 Ų124109.4 Ų109.458%0.57956%0.557SS**Hα-helixtrans-67.3-46.5176-55.3-172156.500111N55 R59 Q60 Q61N55-E57 PolarHBondContact O-N 3.26Å; N55-E57 WeakPolarHBondContact OD1-CA 3.42Å; N55-E57 WeakPolarHBondContact OD1-CB 3.21Å; N55-E57 PolarHBondContact OD1-N 2.89Å; E57-R59 VanDerWaalsContact C-N 3.26Å; E57-R59 PolarHBondContact O-N 3.28Å; E57-Q60 CarbonylContact O-C 3.56Å; E57-Q60 WeakPolarHBondContact O-CB 3.43Å; E57-Q60 PolarHBondContact O-N 3.41Å; E57-Q61 WeakPolarHBondContact O-CB 3.39Å; E57-Q61 WeakPolarHBondContact O-CG 3.32Å; E57-Q61 PolarHBondContact O-N 3.42Å
58T85.1Confident77.7Confident54 Ų54109.8 Ų109.833%0.33156%0.561SS.*Hα-helixtrans-59.8-38.7177.4-53.80000111.3N55 K62N55-T58 WeakPolarHBondContact CB-OG1 3.42Å; N55-T58 VanDerWaalsContact CG-OG1 3.22Å; N55-T58 PolarHBondContact ND2-OG1 2.73Å; N55-T58 PolarHBondContact O-N 3.34Å; N55-T58 PolarHBondContact OD1-N 3.25Å; T58-K62 HydrophobicContact CG2-CD 4.36Å; T58-K62 WeakPolarHBondContact O-CB 3.4Å; T58-K62 VanDerWaalsContact O-CG 3.32Å; T58-K62 WeakPolarHBondContact O-CG 3.17Å; T58-K62 PolarHBondContact O-N 3.01Å
59R82.9Confident78.6Confident171 Ų171115.7 Ų115.765%0.64558%0.578SS**Hα-helixtrans-65.7-42.6174.4-172.8177.2-174.6-90.22.5111.7N55 P56 E57 K62 K63N55-R59 PolarHBondContact O-N 3.5Å; N55-R59 VanDerWaalsContact O-N 3.17Å; P56-R59 PolarHBondContact O-N 3.11Å; E57-R59 VanDerWaalsContact C-N 3.26Å; E57-R59 PolarHBondContact O-N 3.28Å; R59-K62 PolarHBondContact O-N 3.39Å; R59-K63 WeakPolarHBondContact O-CB 3.41Å; R59-K63 PolarHBondContact O-N 3.33Å
60Q87.6Confident79.4Confident112 Ų112116 Ų11652%0.52357%0.572SS.*Hα-helixtrans-65.3-41.9177.3-163.3-176.327.400111.5P56 E57 K63 K64P56-Q60 WeakPolarHBondContact O-CB 3.49Å; P56-Q60 PolarHBondContact O-N 3.48Å; E57-Q60 CarbonylContact O-C 3.56Å; E57-Q60 WeakPolarHBondContact O-CB 3.43Å; E57-Q60 PolarHBondContact O-N 3.41Å; Q60-K63 PolarHBondContact O-N 3.04Å; Q60-K64 WeakPolarHBondContact O-CG 3.22Å; Q60-K64 PolarHBondContact O-N 3.41Å
61Q88.1Confident80.3Confident123 Ų123114 Ų11458%0.57557%0.566SS**Hα-helixtrans-62.6-47.3174.9-72177.66.600111.4E57 K63 K64 A65E57-Q61 WeakPolarHBondContact O-CB 3.39Å; E57-Q61 WeakPolarHBondContact O-CG 3.32Å; E57-Q61 PolarHBondContact O-N 3.42Å; Q61-K63 VanDerWaalsContact C-N 3.3Å; Q61-K63 PolarHBondContact O-N 3.28Å; Q61-K64 PolarHBondContact O-N 3.06Å; Q61-A65 WeakPolarHBondContact O-CB 3.28Å; Q61-A65 PolarHBondContact O-N 2.84Å
62K88.4Confident81.2Confident136 Ų136115.2 Ų115.259%0.59157%0.565SS**Hα-helixtrans-58.9-40.5174.6-76.3175.7179.9175.90112T58 R59 R66T58-K62 HydrophobicContact CG2-CD 4.36Å; T58-K62 WeakPolarHBondContact O-CB 3.4Å; T58-K62 VanDerWaalsContact O-CG 3.32Å; T58-K62 WeakPolarHBondContact O-CG 3.17Å; T58-K62 PolarHBondContact O-N 3.01Å; R59-K62 PolarHBondContact O-N 3.39Å; K62-R66 WeakPolarHBondContact O-CG 3.44Å; K62-R66 PolarHBondContact O-N 3.32Å
63K89.3Confident81.6Confident136 Ų136118.2 Ų118.259%0.59156%0.562SS**Hα-helixtrans-63.1-49.2173.8-175.3179.3178.1-178.40111.1R59 Q60 Q61 A65 R66 M67R59-K63 WeakPolarHBondContact O-CB 3.41Å; R59-K63 PolarHBondContact O-N 3.33Å; Q60-K63 PolarHBondContact O-N 3.04Å; Q61-K63 VanDerWaalsContact C-N 3.3Å; Q61-K63 PolarHBondContact O-N 3.28Å; K63-A65 VanDerWaalsContact C-N 3.33Å; K63-A65 PolarHBondContact O-N 3.36Å; K63-R66 PolarHBondContact O-N 3.48Å; K63-M67 HydrophobicContact CG-CG 4.46Å; K63-M67 VanDerWaalsContact O-CG 3.3Å; K63-M67 WeakPolarHBondContact O-CG 3.35Å; K63-M67 PolarHBondContact O-N 2.92Å
64K89.4Confident81.6Confident128 Ų128116.1 Ų116.156%0.55755%0.546SS*.Hα-helixtrans-57.3-44176.8-75.9178.3178.91790111.8Q60 Q61 M67 S68Q60-K64 WeakPolarHBondContact O-CG 3.22Å; Q60-K64 PolarHBondContact O-N 3.41Å; Q61-K64 PolarHBondContact O-N 3.06Å; K64-M67 PolarHBondContact O-N 3.18Å; K64-S68 WeakPolarHBondContact O-CB 3.03Å; K64-S68 PolarHBondContact O-N 3.17Å; K64-S68 PolarHBondContact O-OG 3.45Å
65A90.1Very high81.3Confident52 Ų52111.8 Ų111.843%0.4353%0.532SS..Hα-helixtrans-63.7-44.1178.400000112.2Q61 K63 S68 K69Q61-A65 WeakPolarHBondContact O-CB 3.28Å; Q61-A65 PolarHBondContact O-N 2.84Å; K63-A65 VanDerWaalsContact C-N 3.33Å; K63-A65 PolarHBondContact O-N 3.36Å; A65-S68 PolarHBondContact O-N 2.95Å; A65-K69 WeakPolarHBondContact O-CG 3.46Å; A65-K69 PolarHBondContact O-N 3.18Å
66R89.7Confident80.4Confident200 Ų200113.7 Ų113.776%0.75555%0.547SS*.Hα-helixtrans-62.3-46.2175.1-74.6-179.2-177.3-171.60.5112.1K62 K63 S68 K69 M70K62-R66 WeakPolarHBondContact O-CG 3.44Å; K62-R66 PolarHBondContact O-N 3.32Å; K63-R66 PolarHBondContact O-N 3.48Å; R66-S68 VanDerWaalsContact C-N 3.29Å; R66-S68 PolarHBondContact O-N 3.3Å; R66-K69 PolarHBondContact O-N 3.25Å; R66-M70 PolarHBondContact O-N 3.01Å
67M86.7Confident79Confident106 Ų106115.9 Ų115.952%0.52255%0.548SS..Hα-helixtrans-61.9-38.4176.8-67.2-56.4-62.400111.6K63 K64 M70 N71K63-M67 HydrophobicContact CG-CG 4.46Å; K63-M67 VanDerWaalsContact O-CG 3.3Å; K63-M67 WeakPolarHBondContact O-CG 3.35Å; K63-M67 PolarHBondContact O-N 2.92Å; K64-M67 PolarHBondContact O-N 3.18Å; M67-M70 HydrophobicContact CE-CE 4.44Å; M67-M70 PolarHBondContact O-N 3.37Å; M67-N71 WeakPolarHBondContact O-CB 3.35Å; M67-N71 PolarHBondContact O-N 3.45Å
68S85.4Confident77.4Confident73 Ų73117.4 Ų117.451%0.5155%0.549SS..Hα-helixtrans-66-45.5178.1-58.10000111.9K64 A65 R66 M70 N71 E72K64-S68 WeakPolarHBondContact O-CB 3.03Å; K64-S68 PolarHBondContact O-N 3.17Å; K64-S68 PolarHBondContact O-OG 3.45Å; A65-S68 PolarHBondContact O-N 2.95Å; R66-S68 VanDerWaalsContact C-N 3.29Å; R66-S68 PolarHBondContact O-N 3.3Å; S68-M70 VanDerWaalsContact C-N 3.32Å; S68-M70 PolarHBondContact O-N 2.66Å; S68-N71 PolarHBondContact O-N 3.36Å; S68-E72 WeakPolarHBondContact O-CB 3.39Å; S68-E72 PolarHBondContact O-N 3.5Å
69K83.5Confident76.3Confident156 Ų156122.5 Ų122.568%0.67857%0.567SS**Hα-helixtrans-60.1-40.8175-73-175178.9-171.60112.5A65 R66 E72 Y73A65-K69 WeakPolarHBondContact O-CG 3.46Å; A65-K69 PolarHBondContact O-N 3.18Å; R66-K69 PolarHBondContact O-N 3.25Å; K69-E72 PolarHBondContact O-N 3.37Å; K69-Y73 PolarHBondContact O-N 3.44Å; K69-Y73 VanDerWaalsContact O-N 3.11Å
70M77.3Confident75.5Confident102 Ų102117.8 Ų117.850%0.50256%0.557SS.*Hα-helixtrans-64.5-47.6175.7-161.9175.394.800110.2R66 M67 S68 E72 Y73 F74R66-M70 PolarHBondContact O-N 3.01Å; M67-M70 HydrophobicContact CE-CE 4.44Å; M67-M70 PolarHBondContact O-N 3.37Å; S68-M70 VanDerWaalsContact C-N 3.32Å; S68-M70 PolarHBondContact O-N 2.66Å; M70-E72 VanDerWaalsContact C-N 3.32Å; M70-E72 PolarHBondContact O-N 3.39Å; M70-Y73 PolarHBondContact O-N 3.21Å; M70-F74 HydrophobicContact CG-CD2 3.8Å; M70-F74 HydrophobicContact CG-CE2 3.61Å; M70-F74 WeakPolarHBondContact O-CD2 3.37Å; M70-F74 PolarHBondContact O-N 2.78Å; M70-F74 HydrophobicContact SD-CE2 4.38Å
71N76.3Confident75.3Confident106 Ų106118.1 Ų118.157%0.56756%0.56SS**Hα-helixtrans-60.6-39.7177.5-16943.2000112.4M67 S68 F74 S75M67-N71 WeakPolarHBondContact O-CB 3.35Å; M67-N71 PolarHBondContact O-N 3.45Å; S68-N71 PolarHBondContact O-N 3.36Å; N71-F74 PolarHBondContact O-N 2.77Å; N71-S75 WeakPolarHBondContact O-CA 3.3Å; N71-S75 WeakPolarHBondContact O-CB 3.48Å; N71-S75 PolarHBondContact O-N 3.42Å; N71-S75 PolarHBondContact O-OG 2.94Å; N71-S75 PolarHBondContact OD1-OG 2.85Å
72E75.1Confident75.4Confident130 Ų130118.1 Ų118.161%0.60755%0.554SS**Hα-helixtrans-61.3-47176.1-174.3-177.4171.200111.8S68 K69 M70 F74 S75 T76S68-E72 WeakPolarHBondContact O-CB 3.39Å; S68-E72 PolarHBondContact O-N 3.5Å; K69-E72 PolarHBondContact O-N 3.37Å; M70-E72 VanDerWaalsContact C-N 3.32Å; M70-E72 PolarHBondContact O-N 3.39Å; E72-F74 PolarHBondContact O-N 2.83Å; E72-S75 PolarHBondContact O-N 2.88Å; E72-T76 PolarHBondContact O-N 2.78Å; E72-T76 PolarHBondContact O-OG1 3.06Å
73Y65.3Low75.8Confident132 Ų132112.6 Ų112.652%0.51853%0.531SS..Hα-helixtrans-61.4-42.9176.6179-100.4000112.7K69 M70 T76 K77K69-Y73 PolarHBondContact O-N 3.44Å; K69-Y73 VanDerWaalsContact O-N 3.11Å; M70-Y73 PolarHBondContact O-N 3.21Å; Y73-T76 PolarHBondContact O-OG1 2.95Å; Y73-K77 PolarHBondContact O-N 2.89Å; Y73-K77 PolarHBondContact OH-NZ 3.25Å
74F61.2Low76.1Confident110 Ų110106.1 Ų106.148%0.48250%0.502SS..Hα-helixtrans-75.3-33.7176.9-76.4-76.2000113M70 N71 E72 Y78M70-F74 HydrophobicContact CG-CD2 3.8Å; M70-F74 HydrophobicContact CG-CE2 3.61Å; M70-F74 WeakPolarHBondContact O-CD2 3.37Å; M70-F74 PolarHBondContact O-N 2.78Å; M70-F74 HydrophobicContact SD-CE2 4.38Å; N71-F74 PolarHBondContact O-N 2.77Å; E72-F74 PolarHBondContact O-N 2.83Å; F74-Y78 PolarHBondContact O-N 3.04Å
75S60Low76.4Confident41 Ų41101.5 Ų101.529%0.28748%0.484SS..Hα-helixtrans-72.7-32.2-178.6-66.50000113N71 E72 K79N71-S75 WeakPolarHBondContact O-CA 3.3Å; N71-S75 WeakPolarHBondContact O-CB 3.48Å; N71-S75 PolarHBondContact O-N 3.42Å; N71-S75 PolarHBondContact O-OG 2.94Å; N71-S75 PolarHBondContact OD1-OG 2.85Å; E72-S75 PolarHBondContact O-N 2.88Å; S75-K79 VanDerWaalsContact O-CB 3.28Å; S75-K79 WeakPolarHBondContact O-CB 3.44Å; S75-K79 WeakPolarHBondContact O-CG 3.17Å; S75-K79 PolarHBondContact O-N 3.4Å
76T58.8Low76.7Confident112 Ų112106.8 Ų106.869%0.68750%0.497SS*.Hα-helixtrans-79.1-34.8178.342.80000112E72 Y73E72-T76 PolarHBondContact O-N 2.78Å; E72-T76 PolarHBondContact O-OG1 3.06Å; Y73-T76 PolarHBondContact O-OG1 2.95Å
77K53.4Low77.1Confident129 Ų129100.8 Ų100.856%0.56149%0.486SS*.Hα-helixtrans-83.6-22.6-175.6-140.3-178-170.6179.70114.5Y73Y73-K77 PolarHBondContact O-N 2.89Å; Y73-K77 PolarHBondContact OH-NZ 3.25Å
78Y52.8Low77.5Confident157 Ų15795.7 Ų95.762%0.61646%0.461SS*.  trans-138.734.1-175.3-63-79.9000114F74 V80F74-Y78 PolarHBondContact O-N 3.04Å; Y78-V80 PolarHBondContact O-N 2.66Å
79K60.6Low78.1Confident161 Ų16197.5 Ų97.570%0.746%0.456SS*.  trans-70.169.8165.4-112.7-178.1-174.4-176.80109.1S75 M81S75-K79 VanDerWaalsContact O-CB 3.28Å; S75-K79 WeakPolarHBondContact O-CB 3.44Å; S75-K79 WeakPolarHBondContact O-CG 3.17Å; S75-K79 PolarHBondContact O-N 3.4Å; K79-M81 VanDerWaalsContact C-N 3.27Å; K79-M81 WeakPolarHBondContact O-CG 3.5Å; K79-M81 PolarHBondContact O-N 2.85Å
80V67.3Low78.7Confident72 Ų7290 Ų9044%0.43642%0.424SS..  trans-62.1103.4162.3179.30000104.7Y78 R82 R129Y78-V80 PolarHBondContact O-N 2.66Å; V80-R82 PolarHBondContact O-N 3.36Å; V80-R129 VanDerWaalsContact CB-CZ 3.48Å; V80-R129 HydrophobicContact CG1-CB 3.91Å; V80-R129 HydrophobicContact CG1-CG 4.28Å; V80-R129 VanDerWaalsContact CG1-NE 3.34Å
81M81.9Confident79.6Confident118 Ų11888.9 Ų88.958%0.58142%0.419SS*.  trans-65.6132.3-177.1-66.9-16958.200107.4K79 K83K79-M81 VanDerWaalsContact C-N 3.27Å; K79-M81 WeakPolarHBondContact O-CG 3.5Å; K79-M81 PolarHBondContact O-N 2.85Å; M81-K83 PolarHBondContact O-N 2.74Å
82R91.9Very high80.4Confident123 Ų12386.6 Ų86.646%0.46441%0.411SS..  trans-56.4139167.9-68177.4-68.1159.52.4107.1V80 L91 N127 R129V80-R82 PolarHBondContact O-N 3.36Å; R82-L91 HydrophobicContact CB-CD1 3.88Å; R82-L91 WeakPolarHBondContact O-CD1 3.03Å; R82-N127 PolarHBondContact NH1-OD1 3.02Å; R82-R129 HydrophobicContact CG-CG 4.09Å
83K94.8Very high81.3Confident21 Ų2183 Ų839%0.09140%0.396CS..SBendtrans-87.8-25.2172.3-55.2-55.5-170.1177.50110.9M81 L90 L91 R128 R129 V150 P151 D152M81-K83 PolarHBondContact O-N 2.74Å; K83-L90 CarbonylContact O-C 3.5Å; K83-L90 WeakPolarHBondContact O-CA 3.4Å; K83-L91 PolarHBondContact O-N 3.22Å; K83-R128 PolarHBondContact N-O 2.71Å; K83-R129 WeakPolarHBondContact CG-O 3.44Å; K83-V150 HydrophobicContact CD-CG1 3.82Å; K83-V150 HydrophobicContact CG-CG1 4.45Å; K83-P151 PolarHBondContact NZ-O 3.39Å; K83-D152 PolarHBondContact NZ-OXT 3.07Å
84Y96.8Very high82.8Confident0 Ų081.8 Ų81.80%040%0.398CS..BIsolated β-bridgetrans-119.6149-179.4-68.1-91.7000112.5G88 R89 L90 R125 N127 R128 W130 V131Y84-G88 VanDerWaalsContact CD1-O 3.24Å; Y84-G88 WeakPolarHBondContact CD1-O 3.29Å; Y84-R89 CarbonylContact C-O 3.5Å; Y84-R89 WeakPolarHBondContact CA-O 3.42Å; Y84-L90 HydrophobicContact CD1-CD2 4.03Å; Y84-L90 HydrophobicContact CD1-CG 4.29Å; Y84-L90 HydrophobicContact CD2-CD2 4.34Å; Y84-L90 HydrophobicContact CE1-CD2 3.54Å; Y84-L90 HydrophobicContact CE1-CG 3.79Å; Y84-L90 HydrophobicContact CE2-CD2 3.84Å; Y84-L90 HydrophobicContact CG-CD2 4.43Å; Y84-L90 VanDerWaalsContact CZ-CD2 3.45Å; Y84-R125 WeakPolarHBondContact CB-O 3.44Å; Y84-R125 HydrophobicContact CD1-CB 4.07Å; Y84-R125 HydrophobicContact CE1-CB 4.24Å; Y84-R125 HydrophobicContact CE1-CG 4.31Å; Y84-R125 HydrophobicContact CG-CB 4.31Å; Y84-N127 WeakPolarHBondContact O-CA 3.39Å; Y84-R128 HydrophobicContact CD2-CB 3.96Å; Y84-R128 VanDerWaalsContact CE2-NH2 3.28Å; Y84-R128 PolarHBondContact N-O 3.07Å; Y84-R128 VanDerWaalsContact N-O 3.12Å; Y84-R128 PolarHBondContact OH-NH2 2.64Å; Y84-W130 WeakPolarHBondContact CE2-O 3.4Å; Y84-V131 HydrophobicContact CE2-CB 4.1Å; Y84-V131 HydrophobicContact CE2-CG2 4.19Å; Y84-V131 WeakPolarHBondContact OH-CG2 3.17Å
85D96.1Very high84.4Confident31 Ų3179 Ų7917%0.16639%0.39CS..  trans-80.2-176.4173.778.41.1000112.3S87 G88 R89 L91 C126 N127D85-S87 PolarHBondContact O-N 3.38Å; D85-S87 VanDerWaalsContact OD1-C 3.31Å; D85-S87 VanDerWaalsContact OD1-CA 3.31Å; D85-S87 WeakPolarHBondContact OD1-CA 3.41Å; D85-S87 WeakPolarHBondContact OD1-CB 3.35Å; D85-S87 PolarHBondContact OD1-N 3.12Å; D85-G88 PolarHBondContact O-N 3.13Å; D85-G88 PolarHBondContact OD1-N 2.81Å; D85-R89 PolarHBondContact N-O 2.85Å; D85-R89 PolarHBondContact OD1-N 3.12Å; D85-L91 HydrophobicContact CB-CD2 3.75Å; D85-L91 HydrophobicContact CB-CG 4.42Å; D85-C126 CarbonylContact O-C 3.51Å; D85-C126 WeakPolarHBondContact O-CA 3.14Å; D85-N127 PolarHBondContact O-N 3.39Å
86K96.8Very high86.2Confident163 Ų16378.9 Ų78.971%0.70939%0.386SS*.THydrogen-bonded Turntrans-64.4-20.3178.862.5-179.7178.81790114.3C126 N127K86-C126 WeakPolarHBondContact O-CB 3.44Å; K86-C126 PolarHBondContact O-SG 3.42Å; K86-N127 WeakPolarHBondContact CA-OD1 3.46Å; K86-N127 PolarHBondContact N-OD1 3.39Å
87S96.5Very high88Confident73 Ų7373.6 Ų73.651%0.5135%0.354SS..THydrogen-bonded Turntrans-99.2-0.9-179.5-65.10000112.6D85D85-S87 PolarHBondContact O-N 3.38Å; D85-S87 VanDerWaalsContact OD1-C 3.31Å; D85-S87 VanDerWaalsContact OD1-CA 3.31Å; D85-S87 WeakPolarHBondContact OD1-CA 3.41Å; D85-S87 WeakPolarHBondContact OD1-CB 3.35Å; D85-S87 PolarHBondContact OD1-N 3.12Å
88G96.4Very high90.1Very high0 Ų067.5 Ų67.50%033%0.327CS..SBendtrans83.520.4-179.100000114Y84 D85 R125Y84-G88 VanDerWaalsContact CD1-O 3.24Å; Y84-G88 WeakPolarHBondContact CD1-O 3.29Å; D85-G88 PolarHBondContact O-N 3.13Å; D85-G88 PolarHBondContact OD1-N 2.81Å; G88-R125 VanDerWaalsContact O-CZ 3.27Å; G88-R125 PolarHBondContact O-NH1 2.81Å
89R97.1Very high92.2Very high110 Ų11060.1 Ų60.142%0.41530%0.298SS..  trans-94.4145.3173.8-60.5176.5177.7-91.4-6.1110.9Y84 D85 D96Y84-R89 CarbonylContact C-O 3.5Å; Y84-R89 WeakPolarHBondContact CA-O 3.42Å; D85-R89 PolarHBondContact N-O 2.85Å; D85-R89 PolarHBondContact OD1-N 3.12Å; R89-D96 HydrophobicContact CG-CB 4.09Å
90L96.3Very high93.9Very high0 Ų053.6 Ų53.60%027%0.273CS..BIsolated β-bridgetrans-63.1133.4177-74.5171.5000110.9K83 Y84 N93 N94 V95 L97 V131 F148K83-L90 CarbonylContact O-C 3.5Å; K83-L90 WeakPolarHBondContact O-CA 3.4Å; Y84-L90 HydrophobicContact CD1-CD2 4.03Å; Y84-L90 HydrophobicContact CD1-CG 4.29Å; Y84-L90 HydrophobicContact CD2-CD2 4.34Å; Y84-L90 HydrophobicContact CE1-CD2 3.54Å; Y84-L90 HydrophobicContact CE1-CG 3.79Å; Y84-L90 HydrophobicContact CE2-CD2 3.84Å; Y84-L90 HydrophobicContact CG-CD2 4.43Å; Y84-L90 VanDerWaalsContact CZ-CD2 3.45Å; L90-N93 WeakPolarHBondContact CB-OD1 3.34Å; L90-N94 WeakPolarHBondContact O-CA 3.43Å; L90-N94 PolarHBondContact O-N 2.69Å; L90-V95 PolarHBondContact N-O 3.02Å; L90-L97 HydrophobicContact CD1-CB 3.85Å; L90-L97 HydrophobicContact CD1-CD2 3.97Å; L90-L97 HydrophobicContact CG-CB 4.45Å; L90-V131 HydrophobicContact CD2-CG2 4.39Å; L90-F148 HydrophobicContact CD1-CD2 3.71Å; L90-F148 HydrophobicContact CD1-CE2 4.13Å
91L95.3Very high95.3Very high78 Ų7850.3 Ų50.341%0.40825%0.253SS..THydrogen-bonded Turntrans-74.1-25.8-178.3-76.2172.7000113.5R82 K83 D85R82-L91 HydrophobicContact CB-CD1 3.88Å; R82-L91 WeakPolarHBondContact O-CD1 3.03Å; K83-L91 PolarHBondContact O-N 3.22Å; D85-L91 HydrophobicContact CB-CD2 3.75Å; D85-L91 HydrophobicContact CB-CG 4.42Å
92C93.4Very high96Very high57 Ų5749.7 Ų49.739%0.38525%0.249SC..THydrogen-bonded Turntrans-71.4-29.1-17859.50000113.4
93N94.6Very high96Very high55 Ų5549.6 Ų49.629%0.29425%0.251SS..THydrogen-bonded Turntrans-144.84.5-173.565.63000114.5L90 V95 F148L90-N93 WeakPolarHBondContact CB-OD1 3.34Å; N93-V95 HydrophobicContact CB-CG2 4.28Å; N93-V95 PolarHBondContact O-N 2.89Å; N93-V95 VanDerWaalsContact O-N 3.16Å; N93-V95 WeakPolarHBondContact OD1-CB 3.32Å; N93-V95 PolarHBondContact OD1-N 3.07Å; N93-V95 VanDerWaalsContact OD1-N 3.12Å; N93-F148 WeakPolarHBondContact ND2-CD1 3.17Å; N93-F148 WeakPolarHBondContact ND2-CD2 3.37Å; N93-F148 VanDerWaalsContact ND2-CG 3.29Å; N93-F148 WeakPolarHBondContact ND2-CG 3.41Å
94N95.7Very high96Very high107 Ų10755.4 Ų55.457%0.57228%0.284SS*.  trans60.615.8-178.7-57.5-62.4000115.6L90L90-N94 WeakPolarHBondContact O-CA 3.43Å; L90-N94 PolarHBondContact O-N 2.69Å
95V96.1Very high96Very high50 Ų5056.3 Ų56.330%0.30329%0.29SS..  trans-78.1135.9180177.10000110.8L90 N93 L97 F148L90-V95 PolarHBondContact N-O 3.02Å; N93-V95 HydrophobicContact CB-CG2 4.28Å; N93-V95 PolarHBondContact O-N 2.89Å; N93-V95 VanDerWaalsContact O-N 3.16Å; N93-V95 WeakPolarHBondContact OD1-CB 3.32Å; N93-V95 PolarHBondContact OD1-N 3.07Å; N93-V95 VanDerWaalsContact OD1-N 3.12Å; V95-L97 VanDerWaalsContact C-N 3.25Å; V95-L97 HydrophobicContact CG1-CB 4.31Å; V95-L97 PolarHBondContact O-N 3.32Å; V95-L97 VanDerWaalsContact O-N 3.08Å; V95-F148 HydrophobicContact CB-CE2 4.1Å; V95-F148 HydrophobicContact CB-CZ 4.21Å; V95-F148 HydrophobicContact CG1-CE2 3.84Å; V95-F148 HydrophobicContact CG1-CZ 3.85Å; V95-F148 HydrophobicContact CG2-CE2 4.41Å; V95-F148 HydrophobicContact CG2-CZ 4.08Å
96D96.6Very high96Very high40 Ų4062.8 Ų62.821%0.21432%0.323CS..  trans-84.665.2173.4-173.423.9000111.4R89 C98 K119 R125R89-D96 HydrophobicContact CG-CB 4.09Å; D96-C98 PolarHBondContact O-N 2.96Å; D96-K119 PolarHBondContact O-NZ 3.48Å; D96-K119 WeakPolarHBondContact OD2-CD 3.23Å; D96-K119 WeakPolarHBondContact OD2-CE 3.24Å; D96-K119 IonicContact OD2-NZ 3.81Å; D96-R125 IonicContact OD1-CZ 3.23Å; D96-R125 VanDerWaalsContact OD1-CZ 3.23Å; D96-R125 IonicContact OD1-NH1 2.71Å; D96-R125 PolarHBondContact OD1-NH1 3.16Å; D96-R125 IonicContact OD1-NH2 2.78Å; D96-R125 PolarHBondContact OD1-NH2 2.79Å
97L97Very high96Very high1 Ų156.3 Ų56.31%0.00530%0.303CS..  trans-75.5121.5-178.2-17567.5000110.8L90 V95 L101 R125 L146 P147 F148L90-L97 HydrophobicContact CD1-CB 3.85Å; L90-L97 HydrophobicContact CD1-CD2 3.97Å; L90-L97 HydrophobicContact CG-CB 4.45Å; V95-L97 VanDerWaalsContact C-N 3.25Å; V95-L97 HydrophobicContact CG1-CB 4.31Å; V95-L97 PolarHBondContact O-N 3.32Å; V95-L97 VanDerWaalsContact O-N 3.08Å; L97-L101 HydrophobicContact CD2-CD2 4.01Å; L97-R125 PolarHBondContact O-NH1 3.08Å; L97-L146 HydrophobicContact CD2-CD1 3.71Å; L97-P147 HydrophobicContact CD1-CG 3.91Å; L97-P147 HydrophobicContact CD2-CG 4.05Å; L97-F148 HydrophobicContact CB-CE2 4.3Å; L97-F148 HydrophobicContact CD1-CE2 4.14Å; L97-F148 HydrophobicContact CD2-CD2 4.04Å; L97-F148 HydrophobicContact CD2-CE2 4Å; L97-F148 HydrophobicContact CG-CE2 4.37Å
98C97.7Very high96Very high0 Ų056.5 Ų56.50%030%0.304CS..  trans-64.2151.9174.1-1720000111.1D96 C100 L101 C105 C108 K119D96-C98 PolarHBondContact O-N 2.96Å; C98-C100 PolarHBondContact O-N 2.91Å; C98-C100 VanDerWaalsContact O-N 3.09Å; C98-C100 PolarHBondContact SG-SG 2.89Å; C98-L101 PolarHBondContact O-N 2.87Å; C98-C105 HydrophobicContact CB-CB 3.85Å; C98-C108 VanDerWaalsContact SG-SG 3.62Å; C98-K119 HydrophobicContact CB-CB 4.04Å; C98-K119 HydrophobicContact CB-CG 4.01Å; C98-K119 VanDerWaalsContact SG-CA 3.54Å; C98-K119 PolarHBondContact SG-O 2.82Å
99D97.1Very high96Very high2 Ų260.1 Ų60.11%0.01132%0.319CS..THydrogen-bonded Turntrans-65.8-9.2176.2-80.2-13.9000114L101 F109 K119 G121 R125 R128 Y132D99-L101 PolarHBondContact O-N 3.22Å; D99-F109 HydrophobicContact CB-CE2 3.86Å; D99-F109 HydrophobicContact CB-CZ 4.34Å; D99-K119 PolarHBondContact N-O 3.46Å; D99-G121 PolarHBondContact OD2-N 2.83Å; D99-R125 WeakPolarHBondContact OD1-CD 3.42Å; D99-R125 WeakPolarHBondContact OD1-CG 3.23Å; D99-R128 VanDerWaalsContact CG-NH1 3.28Å; D99-R128 IonicContact OD1-CZ 3.78Å; D99-R128 IonicContact OD1-NH1 2.79Å; D99-R128 PolarHBondContact OD1-NH1 2.89Å; D99-R128 VanDerWaalsContact OD1-NH1 3.09Å; D99-R128 IonicContact OD1-NH2 3.9Å; D99-R128 PolarHBondContact OD1-NH2 3.47Å; D99-R128 IonicContact OD2-CZ 3.51Å; D99-R128 IonicContact OD2-NH1 2.72Å; D99-R128 PolarHBondContact OD2-NH1 3.45Å; D99-R128 IonicContact OD2-NH2 3.34Å; D99-Y132 HydrophobicContact CB-CD2 4.16Å; D99-Y132 HydrophobicContact CB-CE2 4.03Å
100C96.6Very high96Very high25 Ų2565.3 Ų65.317%0.16934%0.341CS..THydrogen-bonded Turntrans-77.9-2.6167.568.40000113.9C98 E102 C108 F109 S144C98-C100 PolarHBondContact O-N 2.91Å; C98-C100 VanDerWaalsContact O-N 3.09Å; C98-C100 PolarHBondContact SG-SG 2.89Å; C100-E102 PolarHBondContact O-N 2.8Å; C100-E102 VanDerWaalsContact O-N 3.07Å; C100-C108 VanDerWaalsContact CB-SG 3.54Å; C100-F109 HydrophobicContact CB-CE2 4.31Å; C100-S144 PolarHBondContact O-OG 2.94Å
101L96.9Very high96.1Very high3 Ų369 Ų692%0.01637%0.365CS..  trans64.63.9179.1-52.2177000115.7L97 C98 D99 I135 S144 L146L97-L101 HydrophobicContact CD2-CD2 4.01Å; C98-L101 PolarHBondContact O-N 2.87Å; D99-L101 PolarHBondContact O-N 3.22Å; L101-I135 HydrophobicContact CD1-CG1 4.19Å; L101-S144 WeakPolarHBondContact CB-OG 3.18Å; L101-L146 HydrophobicContact CD2-CD1 4.02Å
102E95.8Very high96.2Very high104 Ų10465.7 Ų65.749%0.48635%0.348SS..  trans-78.3128174.3179.153.8-11200111.7C100 N104 C105C100-E102 PolarHBondContact O-N 2.8Å; C100-E102 VanDerWaalsContact O-N 3.07Å; E102-N104 PolarHBondContact O-N 3.45Å; E102-C105 HydrophobicContact CB-CB 4.04Å; E102-C105 HydrophobicContact CG-CB 4.22Å; E102-C105 WeakPolarHBondContact O-CB 3.06Å; E102-C105 PolarHBondContact O-N 3.25Å
103K93Very high96.4Very high121 Ų12169.1 Ų69.153%0.52637%0.369SS..THydrogen-bonded Turntrans-63.8-41.8-171.3-71.6177.6179.4173.30112.6P147K103-P147 HydrophobicContact CD-CB 4.22Å; K103-P147 HydrophobicContact CG-CB 3.96Å; K103-P147 HydrophobicContact CG-CG 3.94Å
104N94.1Very high96.6Very high143 Ų14374.4 Ų74.477%0.76539%0.39SS*.THydrogen-bonded Turntrans-100.516.1-174.1-62.4-40.7000112.7E102 L106E102-N104 PolarHBondContact O-N 3.45Å; N104-L106 PolarHBondContact O-N 3.22Å
105C96.5Very high96.7Very high19 Ų1971.5 Ų71.513%0.12838%0.378CS..  trans-66121.8179.9-175.80000111C98 E102 G107 K119C98-C105 HydrophobicContact CB-CB 3.85Å; E102-C105 HydrophobicContact CB-CB 4.04Å; E102-C105 HydrophobicContact CG-CB 4.22Å; E102-C105 WeakPolarHBondContact O-CB 3.06Å; E102-C105 PolarHBondContact O-N 3.25Å; C105-G107 PolarHBondContact O-N 3.22Å; C105-G107 PolarHBondContact SG-N 3.14Å; C105-K119 WeakPolarHBondContact O-CE 3.21Å; C105-K119 PolarHBondContact O-NZ 2.72Å
106L95.8Very high96.7Very high167 Ų16775.1 Ų75.187%0.87440%0.395SS*.SBendtrans-72.3-17173.4-60.5178.7000112.7N104N104-L106 PolarHBondContact O-N 3.22Å
107G97.1Very high96.8Very high28 Ų2874.6 Ų74.629%0.28940%0.395SS..  trans130.1119.9-176.300000109.6C105 N118C105-G107 PolarHBondContact O-N 3.22Å; C105-G107 PolarHBondContact SG-N 3.14Å; G107-N118 CarbonylContact C-O 3.33Å; G107-N118 WeakPolarHBondContact CA-O 3.49Å
108C97.3Very high96.8Very high76 Ų7678 Ų7851%0.51441%0.413SS..  trans-114.2-4.7-176.860.30000113.4C98 C100 N118C98-C108 VanDerWaalsContact SG-SG 3.62Å; C100-C108 VanDerWaalsContact CB-SG 3.54Å; C108-N118 PolarHBondContact N-O 2.81Å; C108-N118 VanDerWaalsContact N-O 3.14Å
109F96.7Very high96.8Very high76 Ų7679.4 Ų79.433%0.33342%0.419SS..SBendtrans-102.3161.9178.8-65-80.1000110.7D99 C100 N118 C120D99-F109 HydrophobicContact CB-CE2 3.86Å; D99-F109 HydrophobicContact CB-CZ 4.34Å; C100-F109 HydrophobicContact CB-CE2 4.31Å; F109-N118 PolarHBondContact N-O 2.79Å; F109-N118 WeakPolarHBondContact O-CB 3.47Å; F109-C120 WeakPolarHBondContact CB-O 2.97Å; F109-C120 WeakPolarHBondContact CD2-O 3.5Å; F109-C120 WeakPolarHBondContact CG-O 3.27Å
110Y96.9Very high96.9Very high219 Ų21979.4 Ų79.486%0.85942%0.419SS*.PPolyproline II helixtrans-59.9154.3169.3-74.2-72.2000111.4C112Y110-C112 PolarHBondContact O-N 3.45Å; Y110-C112 VanDerWaalsContact O-N 3.16Å
111P97.8Very high96.8Very high78 Ų7879 Ų7951%0.50642%0.419SS..PPolyproline II helixtrans-53.7122.9178.8-23.530.4000111.8N118P111-N118 WeakPolarHBondContact CA-OD1 3.31Å; P111-N118 WeakPolarHBondContact CB-OD1 3.4Å; P111-N118 VanDerWaalsContact CG-OD1 3.28Å; P111-N118 WeakPolarHBondContact CG-OD1 3.46Å
112C98.2Very high96.8Very high9 Ų984.7 Ų84.76%0.06146%0.456CS..PPolyproline II helixtrans-61.7128.1179.7179.60000110.7Y110 K114 C115 N116 S117 C120 C124Y110-C112 PolarHBondContact O-N 3.45Å; Y110-C112 VanDerWaalsContact O-N 3.16Å; C112-K114 PolarHBondContact O-N 3.46Å; C112-C115 PolarHBondContact O-N 3.36Å; C112-N116 WeakPolarHBondContact O-CA 3.21Å; C112-N116 PolarHBondContact O-N 2.8Å; C112-N116 PolarHBondContact O-OD1 3.43Å; C112-S117 VanDerWaalsContact CB-O 3.26Å; C112-S117 WeakPolarHBondContact CB-O 3.24Å; C112-S117 PolarHBondContact N-O 2.72Å; C112-C120 HydrophobicContact CB-CB 3.92Å; C112-C124 VanDerWaalsContact SG-SG 3.68Å
113P97.4Very high96.8Very high128 Ų12884.1 Ų84.183%0.83145%0.453SS*.THydrogen-bonded Turntrans-66.8-14.2-179.126.6-35.5000114
114K97.6Very high97.1Very high166 Ų16678.9 Ų78.972%0.72243%0.432SS*.THydrogen-bonded Turntrans-94-35.2179.5-62.8-171.3-174.5175.20113.9C112 C124C112-K114 PolarHBondContact O-N 3.46Å; K114-C124 HydrophobicContact CB-CB 4.14Å; K114-C124 HydrophobicContact CD-CB 3.8Å; K114-C124 HydrophobicContact CG-CB 4.35Å
115C97.6Very high97.2Very high47 Ų4772.1 Ų72.132%0.31840%0.396SS..THydrogen-bonded Turntrans-133.91.9-171.969.40000114.4C112 S117 C120 C126C112-C115 PolarHBondContact O-N 3.36Å; C115-S117 PolarHBondContact O-N 2.81Å; C115-S117 VanDerWaalsContact SG-CB 3.55Å; C115-C120 VanDerWaalsContact SG-SG 3.61Å; C115-C126 VanDerWaalsContact CB-SG 3.59Å
116N97.4Very high97.3Very high126 Ų12672.7 Ų72.767%0.67440%0.4SS*.  trans57.49.1-177.3-60-12.4000115.6C112C112-N116 WeakPolarHBondContact O-CA 3.21Å; C112-N116 PolarHBondContact O-N 2.8Å; C112-N116 PolarHBondContact O-OD1 3.43Å
117S97.4Very high97.3Very high29 Ų2968 Ų6820%0.20338%0.376CS..  trans-74.6138174.5-179.50000111.1C112 C115 K119 R125C112-S117 VanDerWaalsContact CB-O 3.26Å; C112-S117 WeakPolarHBondContact CB-O 3.24Å; C112-S117 PolarHBondContact N-O 2.72Å; C115-S117 PolarHBondContact O-N 2.81Å; C115-S117 VanDerWaalsContact SG-CB 3.55Å; S117-K119 PolarHBondContact O-N 3.09Å; S117-K119 PolarHBondContact OG-N 2.76Å; S117-R125 PolarHBondContact OG-NH2 2.84Å
118N98Very high97.2Very high71 Ų7167.1 Ų67.138%0.3836%0.363SS..THydrogen-bonded Turntrans-85.29.3173.3-61.9-22.1000113.3G107 C108 F109 P111G107-N118 CarbonylContact C-O 3.33Å; G107-N118 WeakPolarHBondContact CA-O 3.49Å; C108-N118 PolarHBondContact N-O 2.81Å; C108-N118 VanDerWaalsContact N-O 3.14Å; F109-N118 PolarHBondContact N-O 2.79Å; F109-N118 WeakPolarHBondContact O-CB 3.47Å; P111-N118 WeakPolarHBondContact CA-OD1 3.31Å; P111-N118 WeakPolarHBondContact CB-OD1 3.4Å; P111-N118 VanDerWaalsContact CG-OD1 3.28Å; P111-N118 WeakPolarHBondContact CG-OD1 3.46Å
119K98.3Very high97.1Very high31 Ų3169.8 Ų69.814%0.13536%0.363CS..THydrogen-bonded Turntrans-107.2-4.6-176.4-72.3171.9176.3-94.60113.6D96 C98 D99 C105 S117 R125D96-K119 PolarHBondContact O-NZ 3.48Å; D96-K119 WeakPolarHBondContact OD2-CD 3.23Å; D96-K119 WeakPolarHBondContact OD2-CE 3.24Å; D96-K119 IonicContact OD2-NZ 3.81Å; C98-K119 HydrophobicContact CB-CB 4.04Å; C98-K119 HydrophobicContact CB-CG 4.01Å; C98-K119 VanDerWaalsContact SG-CA 3.54Å; C98-K119 PolarHBondContact SG-O 2.82Å; D99-K119 PolarHBondContact N-O 3.46Å; C105-K119 WeakPolarHBondContact O-CE 3.21Å; C105-K119 PolarHBondContact O-NZ 2.72Å; S117-K119 PolarHBondContact O-N 3.09Å; S117-K119 PolarHBondContact OG-N 2.76Å; K119-R125 VanDerWaalsContact CB-NH2 3.27Å; K119-R125 WeakPolarHBondContact O-CD 3.18Å; K119-R125 PolarHBondContact O-NE 3.46Å; K119-R125 VanDerWaalsContact O-NE 3.12Å
120C98.1Very high97Very high2 Ų270.2 Ų70.21%0.01436%0.362CS..  trans-85.4138.7174.2-56.60000109.6F109 C112 C115 R125F109-C120 WeakPolarHBondContact CB-O 2.97Å; F109-C120 WeakPolarHBondContact CD2-O 3.5Å; F109-C120 WeakPolarHBondContact CG-O 3.27Å; C112-C120 HydrophobicContact CB-CB 3.92Å; C115-C120 VanDerWaalsContact SG-SG 3.61Å; C120-R125 HydrophobicContact CB-CG 4.4Å; C120-R125 PolarHBondContact SG-N 3.5Å
121G95.7Very high96.9Very high16 Ų1660.8 Ų60.817%0.16533%0.327CS..  trans-79.3-143.1169.400000111.4D99 E123D99-G121 PolarHBondContact OD2-N 2.83Å; G121-E123 PolarHBondContact O-N 2.95Å
122P95.4Very high96.8Very high122 Ų12260.9 Ų60.979%0.79232%0.318SS*.SBendtrans-60-32.9179.7-24.434.5000113.9
123E97Very high96.6Very high92 Ų9266.2 Ų66.243%0.4335%0.346SS..SBendtrans-111.4137.4175.2-164.7179.1-175.700110.8G121 R125 W130G121-E123 PolarHBondContact O-N 2.95Å; E123-R125 PolarHBondContact O-N 2.86Å; E123-W130 HydrophobicContact CB-CZ2 4.08Å; E123-W130 VanDerWaalsContact OE2-CZ2 3.24Å; E123-W130 WeakPolarHBondContact OE2-CZ2 3.36Å; E123-W130 PolarHBondContact OE2-NE1 3.09Å
124C98Very high96.6Very high12 Ų1262.1 Ų62.18%0.08132%0.323CS..  trans-59.5135.3176.9-174.70000111.7C112 K114 C126C112-C124 VanDerWaalsContact SG-SG 3.68Å; K114-C124 HydrophobicContact CB-CB 4.14Å; K114-C124 HydrophobicContact CD-CB 3.8Å; K114-C124 HydrophobicContact CG-CB 4.35Å; C124-C126 VanDerWaalsContact C-N 3.32Å; C124-C126 PolarHBondContact O-N 3.27Å; C124-C126 PolarHBondContact SG-N 3.29Å; C124-C126 VanDerWaalsContact SG-N 3.45Å; C124-C126 VanDerWaalsContact SG-SG 3.66Å
125R97.4Very high96.5Very high1 Ų156.9 Ų56.90%0.00430%0.302CS..  trans-70.8-24.1177.2-64.4178.8-59.1134.812.6113.1Y84 G88 D96 L97 D99 S117 K119 C120 E123 N127 R128Y84-R125 WeakPolarHBondContact CB-O 3.44Å; Y84-R125 HydrophobicContact CD1-CB 4.07Å; Y84-R125 HydrophobicContact CE1-CB 4.24Å; Y84-R125 HydrophobicContact CE1-CG 4.31Å; Y84-R125 HydrophobicContact CG-CB 4.31Å; G88-R125 VanDerWaalsContact O-CZ 3.27Å; G88-R125 PolarHBondContact O-NH1 2.81Å; D96-R125 IonicContact OD1-CZ 3.23Å; D96-R125 VanDerWaalsContact OD1-CZ 3.23Å; D96-R125 IonicContact OD1-NH1 2.71Å; D96-R125 PolarHBondContact OD1-NH1 3.16Å; D96-R125 IonicContact OD1-NH2 2.78Å; D96-R125 PolarHBondContact OD1-NH2 2.79Å; L97-R125 PolarHBondContact O-NH1 3.08Å; D99-R125 WeakPolarHBondContact OD1-CD 3.42Å; D99-R125 WeakPolarHBondContact OD1-CG 3.23Å; S117-R125 PolarHBondContact OG-NH2 2.84Å; K119-R125 VanDerWaalsContact CB-NH2 3.27Å; K119-R125 WeakPolarHBondContact O-CD 3.18Å; K119-R125 PolarHBondContact O-NE 3.46Å; K119-R125 VanDerWaalsContact O-NE 3.12Å; C120-R125 HydrophobicContact CB-CG 4.4Å; C120-R125 PolarHBondContact SG-N 3.5Å; E123-R125 PolarHBondContact O-N 2.86Å; R125-N127 PolarHBondContact O-N 3.4Å; R125-N127 VanDerWaalsContact O-N 3.14Å; R125-R128 VanDerWaalsContact O-CB 3.27Å; R125-R128 WeakPolarHBondContact O-CB 3.42Å; R125-R128 PolarHBondContact O-N 3.49Å
126C97.6Very high96.4Very high31 Ų3158.7 Ų58.721%0.20931%0.312CS..THydrogen-bonded Turntrans-57.4119.6-177.3-64.60000112.1D85 K86 C115 C124 R128D85-C126 CarbonylContact O-C 3.51Å; D85-C126 WeakPolarHBondContact O-CA 3.14Å; K86-C126 WeakPolarHBondContact O-CB 3.44Å; K86-C126 PolarHBondContact O-SG 3.42Å; C115-C126 VanDerWaalsContact CB-SG 3.59Å; C124-C126 VanDerWaalsContact C-N 3.32Å; C124-C126 PolarHBondContact O-N 3.27Å; C124-C126 PolarHBondContact SG-N 3.29Å; C124-C126 VanDerWaalsContact SG-N 3.45Å; C124-C126 VanDerWaalsContact SG-SG 3.66Å; C126-R128 PolarHBondContact O-N 2.78Å
127N96Very high96.4Very high69 Ų6954.8 Ų54.837%0.36929%0.292SS..THydrogen-bonded Turntrans60.217.6-178.6-53.8-61.4000115.2R82 Y84 D85 K86 R125R82-N127 PolarHBondContact NH1-OD1 3.02Å; Y84-N127 WeakPolarHBondContact O-CA 3.39Å; D85-N127 PolarHBondContact O-N 3.39Å; K86-N127 WeakPolarHBondContact CA-OD1 3.46Å; K86-N127 PolarHBondContact N-OD1 3.39Å; R125-N127 PolarHBondContact O-N 3.4Å; R125-N127 VanDerWaalsContact O-N 3.14Å
128R95.2Very high96.3Very high8 Ų863.7 Ų63.73%0.0333%0.331CS..  trans-66.7144.3-178.9-164.1173.480.4-171-6.1111.3K83 Y84 D99 R125 C126 W130K83-R128 PolarHBondContact N-O 2.71Å; Y84-R128 HydrophobicContact CD2-CB 3.96Å; Y84-R128 VanDerWaalsContact CE2-NH2 3.28Å; Y84-R128 PolarHBondContact N-O 3.07Å; Y84-R128 VanDerWaalsContact N-O 3.12Å; Y84-R128 PolarHBondContact OH-NH2 2.64Å; D99-R128 VanDerWaalsContact CG-NH1 3.28Å; D99-R128 IonicContact OD1-CZ 3.78Å; D99-R128 IonicContact OD1-NH1 2.79Å; D99-R128 PolarHBondContact OD1-NH1 2.89Å; D99-R128 VanDerWaalsContact OD1-NH1 3.09Å; D99-R128 IonicContact OD1-NH2 3.9Å; D99-R128 PolarHBondContact OD1-NH2 3.47Å; D99-R128 IonicContact OD2-CZ 3.51Å; D99-R128 IonicContact OD2-NH1 2.72Å; D99-R128 PolarHBondContact OD2-NH1 3.45Å; D99-R128 IonicContact OD2-NH2 3.34Å; R125-R128 VanDerWaalsContact O-CB 3.27Å; R125-R128 WeakPolarHBondContact O-CB 3.42Å; R125-R128 PolarHBondContact O-N 3.49Å; C126-R128 PolarHBondContact O-N 2.78Å; R128-W130 HydrophobicContact CG-CD2 4.06Å; R128-W130 HydrophobicContact CG-CG 4.09Å; R128-W130 HydrophobicContact CG-CZ2 4.38Å; R128-W130 PolarHBondContact NE-O 3.43Å; R128-W130 VanDerWaalsContact NH1-CH2 3.26Å
129R94.6Very high96.2Very high133 Ų13364.9 Ų64.950%0.50234%0.344SS..SBendtrans-98.74.2-175-68.1165.681.9-159.216.2114.1V80 R82 K83V80-R129 VanDerWaalsContact CB-CZ 3.48Å; V80-R129 HydrophobicContact CG1-CB 3.91Å; V80-R129 HydrophobicContact CG1-CG 4.28Å; V80-R129 VanDerWaalsContact CG1-NE 3.34Å; R82-R129 HydrophobicContact CG-CG 4.09Å; K83-R129 WeakPolarHBondContact CG-O 3.44Å
130W94.8Very high96Very high85 Ų8565.9 Ų65.932%0.32236%0.364SS..  trans-142.6161.4-177.560.7-100.2000110.1Y84 E123 R128 Y132Y84-W130 WeakPolarHBondContact CE2-O 3.4Å; E123-W130 HydrophobicContact CB-CZ2 4.08Å; E123-W130 VanDerWaalsContact OE2-CZ2 3.24Å; E123-W130 WeakPolarHBondContact OE2-CZ2 3.36Å; E123-W130 PolarHBondContact OE2-NE1 3.09Å; R128-W130 HydrophobicContact CG-CD2 4.06Å; R128-W130 HydrophobicContact CG-CG 4.09Å; R128-W130 HydrophobicContact CG-CZ2 4.38Å; R128-W130 PolarHBondContact NE-O 3.43Å; R128-W130 VanDerWaalsContact NH1-CH2 3.26Å; W130-Y132 HydrophobicContact CH2-CD2 4.29Å; W130-Y132 AromaticContact CH2-CE1 3.94Å; W130-Y132 HydrophobicContact CH2-CE1 3.94Å; W130-Y132 AromaticContact CH2-CE2 3.63Å; W130-Y132 HydrophobicContact CH2-CE2 3.63Å; W130-Y132 AromaticContact CH2-CZ 3.43Å; W130-Y132 VanDerWaalsContact CH2-CZ 3.43Å; W130-Y132 AromaticContact CZ3-CD1 3.87Å; W130-Y132 HydrophobicContact CZ3-CD1 3.87Å; W130-Y132 AromaticContact CZ3-CD2 3.72Å; W130-Y132 HydrophobicContact CZ3-CD2 3.72Å; W130-Y132 AromaticContact CZ3-CE1 3.69Å; W130-Y132 HydrophobicContact CZ3-CE1 3.69Å; W130-Y132 AromaticContact CZ3-CE2 3.53Å; W130-Y132 HydrophobicContact CZ3-CE2 3.53Å; W130-Y132 AromaticContact CZ3-CG 3.88Å; W130-Y132 HydrophobicContact CZ3-CG 3.88Å; W130-Y132 AromaticContact CZ3-CZ 3.53Å
131V95.3Very high95.9Very high20 Ų2072.1 Ų72.112%0.12139%0.392CS..  trans-132.1153.1171.966.20000108.4Y84 L90 L146 V150Y84-V131 HydrophobicContact CE2-CB 4.1Å; Y84-V131 HydrophobicContact CE2-CG2 4.19Å; Y84-V131 WeakPolarHBondContact OH-CG2 3.17Å; L90-V131 HydrophobicContact CD2-CG2 4.39Å; V131-L146 HydrophobicContact CG1-CD1 4.45Å; V131-L146 HydrophobicContact CG1-CD2 3.84Å; V131-L146 HydrophobicContact CG2-CD1 3.6Å; V131-L146 HydrophobicContact CG2-CD2 4.47Å; V131-V150 HydrophobicContact CG1-CB 4.33Å; V131-V150 HydrophobicContact CG1-CG1 4.26Å; V131-V150 HydrophobicContact CG1-CG2 4.37Å
132Y95.9Very high95.9Very high80 Ų8075.7 Ų75.731%0.31441%0.411SS..  trans-72.9133.1169.9-68.5-68.6000109.6D99 W130D99-Y132 HydrophobicContact CB-CD2 4.16Å; D99-Y132 HydrophobicContact CB-CE2 4.03Å; W130-Y132 HydrophobicContact CH2-CD2 4.29Å; W130-Y132 AromaticContact CH2-CE1 3.94Å; W130-Y132 HydrophobicContact CH2-CE1 3.94Å; W130-Y132 AromaticContact CH2-CE2 3.63Å; W130-Y132 HydrophobicContact CH2-CE2 3.63Å; W130-Y132 AromaticContact CH2-CZ 3.43Å; W130-Y132 VanDerWaalsContact CH2-CZ 3.43Å; W130-Y132 AromaticContact CZ3-CD1 3.87Å; W130-Y132 HydrophobicContact CZ3-CD1 3.87Å; W130-Y132 AromaticContact CZ3-CD2 3.72Å; W130-Y132 HydrophobicContact CZ3-CD2 3.72Å; W130-Y132 AromaticContact CZ3-CE1 3.69Å; W130-Y132 HydrophobicContact CZ3-CE1 3.69Å; W130-Y132 AromaticContact CZ3-CE2 3.53Å; W130-Y132 HydrophobicContact CZ3-CE2 3.53Å; W130-Y132 AromaticContact CZ3-CG 3.88Å; W130-Y132 HydrophobicContact CZ3-CG 3.88Å; W130-Y132 AromaticContact CZ3-CZ 3.53Å
133D94.9Very high95.9Very high121 Ų12175.5 Ų75.565%0.64740%0.402SS*.  trans-81.4-42.1175.9-62-35.1000111.4L146D133-L146 WeakPolarHBondContact O-CB 3.03Å; D133-L146 PolarHBondContact O-N 3.16Å
134A96.1Very high95.8Very high42 Ų4272.2 Ų72.235%0.34739%0.389SS..EExtended strand (participates in β ladder)trans-155.2158.6177.500000111.3V136 V142 S144 T145A134-V136 HydrophobicContact CB-CG1 4.44Å; A134-V142 HydrophobicContact CB-CG1 4.37Å; A134-S144 CarbonylContact C-O 3.59Å; A134-S144 VanDerWaalsContact CA-O 3.23Å; A134-S144 WeakPolarHBondContact CA-O 3.46Å; A134-T145 HydrophobicContact CB-CG2 4.12Å
135I95.2Very high95.7Very high56 Ų5675.6 Ų75.629%0.28741%0.41SS..EExtended strand (participates in β ladder)trans-109.3121.6168.5-58.5174.7000106.5L101 I143 S144L101-I135 HydrophobicContact CD1-CG1 4.19Å; I135-I143 HydrophobicContact CB-CB 4.46Å; I135-I143 HydrophobicContact CG2-CB 4.26Å; I135-I143 HydrophobicContact CG2-CD1 4.11Å; I135-I143 PolarHBondContact O-N 3.42Å; I135-S144 PolarHBondContact N-O 2.99Å; I135-S144 PolarHBondContact O-N 3.03Å
136V96.9Very high95.7Very high86 Ų8677 Ų7752%0.52142%0.417SS..EExtended strand (participates in β ladder)trans-122.4149.3-177.9-61.20000110.7A134 E141 V142A134-V136 HydrophobicContact CB-CG1 4.44Å; V136-E141 CarbonylContact C-O 3.57Å; V136-E141 VanDerWaalsContact CA-O 3.23Å; V136-E141 WeakPolarHBondContact CA-O 3.41Å; V136-V142 HydrophobicContact CG1-CG2 4.07Å
137T96.6Very high95.5Very high43 Ų4377.3 Ų77.326%0.26442%0.419SS..  trans-73.4168.7170630000110.9S139 G140 E141 I143T137-S139 PolarHBondContact O-N 3.35Å; T137-S139 PolarHBondContact OG1-N 3.03Å; T137-S139 PolarHBondContact OG1-OG 3.12Å; T137-G140 PolarHBondContact O-N 3.18Å; T137-G140 PolarHBondContact OG1-N 3.27Å; T137-E141 HydrophobicContact CG2-CB 4.2Å; T137-E141 PolarHBondContact N-O 3.14Å; T137-E141 WeakPolarHBondContact OG1-CB 3.15Å; T137-E141 PolarHBondContact OG1-N 2.66Å; T137-E141 PolarHBondContact OG1-O 3.3Å; T137-I143 HydrophobicContact CG2-CD1 3.7Å; T137-I143 HydrophobicContact CG2-CG1 3.87Å
138E96.1Very high95.4Very high217 Ų21776.7 Ų76.7100%1.01441%0.413SS*.THydrogen-bonded Turntrans-60.3-29171.5-61.1-178.817500112.5G140E138-G140 VanDerWaalsContact C-N 3.27Å; E138-G140 PolarHBondContact O-N 3.4Å
139S96.1Very high95.2Very high95 Ų9583.4 Ų83.466%0.66445%0.45SS*.THydrogen-bonded Turntrans-78.7-4173.6410000114T137T137-S139 PolarHBondContact O-N 3.35Å; T137-S139 PolarHBondContact OG1-N 3.03Å; T137-S139 PolarHBondContact OG1-OG 3.12Å
140G93.7Very high95Very high52 Ų5278.3 Ų78.354%0.53643%0.433SS..  trans86.48.9178.500000115T137 E138T137-G140 PolarHBondContact O-N 3.18Å; T137-G140 PolarHBondContact OG1-N 3.27Å; E138-G140 VanDerWaalsContact C-N 3.27Å; E138-G140 PolarHBondContact O-N 3.4Å
141E95.9Very high94.6Very high133 Ų13378.2 Ų78.262%0.62144%0.443SS*.  trans-75.9133.4175.7-60.2179.4147.300110.2V136 T137 I143V136-E141 CarbonylContact C-O 3.57Å; V136-E141 VanDerWaalsContact CA-O 3.23Å; V136-E141 WeakPolarHBondContact CA-O 3.41Å; T137-E141 HydrophobicContact CG2-CB 4.2Å; T137-E141 PolarHBondContact N-O 3.14Å; T137-E141 WeakPolarHBondContact OG1-CB 3.15Å; T137-E141 PolarHBondContact OG1-N 2.66Å; T137-E141 PolarHBondContact OG1-O 3.3Å; E141-I143 PolarHBondContact O-N 3.24Å
142V95.6Very high93.7Very high91 Ų9185.9 Ų85.955%0.55248%0.484SS*.EExtended strand (participates in β ladder)trans-83.5115-177.7-175.40000110A134 V136 T145A134-V142 HydrophobicContact CB-CG1 4.37Å; V136-V142 HydrophobicContact CG1-CG2 4.07Å; V142-T145 HydrophobicContact CG1-CG2 3.35Å
143I94.7Very high93.6Very high118 Ų11886.2 Ų86.261%0.60549%0.492SS*.EExtended strand (participates in β ladder)trans-82.4-44.9177.9-61.6167.8000110.4I135 T137 E141I135-I143 HydrophobicContact CB-CB 4.46Å; I135-I143 HydrophobicContact CG2-CB 4.26Å; I135-I143 HydrophobicContact CG2-CD1 4.11Å; I135-I143 PolarHBondContact O-N 3.42Å; T137-I143 HydrophobicContact CG2-CD1 3.7Å; T137-I143 HydrophobicContact CG2-CG1 3.87Å; E141-I143 PolarHBondContact O-N 3.24Å
144S95.4Very high93.5Very high23 Ų2384.4 Ų84.416%0.16148%0.484CS..EExtended strand (participates in β ladder)trans-152.4148.1-176.7-170.10000110.2C100 L101 A134 I135C100-S144 PolarHBondContact O-OG 2.94Å; L101-S144 WeakPolarHBondContact CB-OG 3.18Å; A134-S144 CarbonylContact C-O 3.59Å; A134-S144 VanDerWaalsContact CA-O 3.23Å; A134-S144 WeakPolarHBondContact CA-O 3.46Å; I135-S144 PolarHBondContact N-O 2.99Å; I135-S144 PolarHBondContact O-N 3.03Å
145T96.6Very high93.4Very high83 Ų8386.7 Ų86.751%0.50949%0.492SS..EExtended strand (participates in β ladder)trans-128.5151.5179.853.50000110.1A134 V142 P147A134-T145 HydrophobicContact CB-CG2 4.12Å; V142-T145 HydrophobicContact CG1-CG2 3.35Å; T145-P147 WeakPolarHBondContact O-CD 3.26Å; T145-P147 VanDerWaalsContact O-N 3.12Å
146L95.9Very high93.3Very high31 Ų3188.5 Ų88.516%0.16250%0.504CS..  trans-57.3116.2176.8-177.766.2000109.2L97 L101 V131 D133 F148 V150L97-L146 HydrophobicContact CD2-CD1 3.71Å; L101-L146 HydrophobicContact CD2-CD1 4.02Å; V131-L146 HydrophobicContact CG1-CD1 4.45Å; V131-L146 HydrophobicContact CG1-CD2 3.84Å; V131-L146 HydrophobicContact CG2-CD1 3.6Å; V131-L146 HydrophobicContact CG2-CD2 4.47Å; D133-L146 WeakPolarHBondContact O-CB 3.03Å; D133-L146 PolarHBondContact O-N 3.16Å; L146-F148 WeakPolarHBondContact CD2-O 3.49Å; L146-F148 WeakPolarHBondContact CG-O 3.28Å; L146-F148 PolarHBondContact O-N 3.37Å; L146-F148 VanDerWaalsContact O-N 3.13Å; L146-V150 HydrophobicContact CD1-CG2 4.42Å; L146-V150 HydrophobicContact CD2-CB 4.18Å; L146-V150 HydrophobicContact CD2-CG2 3.76Å; L146-V150 HydrophobicContact CG-CG2 4.45Å
147P94.6Very high93.1Very high38 Ų3888.7 Ų88.725%0.24750%0.503CS..SBendtrans-77.71.1-172.526.9-33.2000114.4L97 K103 T145L97-P147 HydrophobicContact CD1-CG 3.91Å; L97-P147 HydrophobicContact CD2-CG 4.05Å; K103-P147 HydrophobicContact CD-CB 4.22Å; K103-P147 HydrophobicContact CG-CB 3.96Å; K103-P147 HydrophobicContact CG-CG 3.94Å; T145-P147 WeakPolarHBondContact O-CD 3.26Å; T145-P147 VanDerWaalsContact O-N 3.12Å
148F93Very high92.8Very high55 Ų5591.7 Ų91.724%0.24152%0.519CS..SBendtrans-132.4149.7-173-50.5-60.5000110.6L90 N93 V95 L97 L146 V150L90-F148 HydrophobicContact CD1-CD2 3.71Å; L90-F148 HydrophobicContact CD1-CE2 4.13Å; N93-F148 WeakPolarHBondContact ND2-CD1 3.17Å; N93-F148 WeakPolarHBondContact ND2-CD2 3.37Å; N93-F148 VanDerWaalsContact ND2-CG 3.29Å; N93-F148 WeakPolarHBondContact ND2-CG 3.41Å; V95-F148 HydrophobicContact CB-CE2 4.1Å; V95-F148 HydrophobicContact CB-CZ 4.21Å; V95-F148 HydrophobicContact CG1-CE2 3.84Å; V95-F148 HydrophobicContact CG1-CZ 3.85Å; V95-F148 HydrophobicContact CG2-CE2 4.41Å; V95-F148 HydrophobicContact CG2-CZ 4.08Å; L97-F148 HydrophobicContact CB-CE2 4.3Å; L97-F148 HydrophobicContact CD1-CE2 4.14Å; L97-F148 HydrophobicContact CD2-CD2 4.04Å; L97-F148 HydrophobicContact CD2-CE2 4Å; L97-F148 HydrophobicContact CG-CE2 4.37Å; L146-F148 WeakPolarHBondContact CD2-O 3.49Å; L146-F148 WeakPolarHBondContact CG-O 3.28Å; L146-F148 PolarHBondContact O-N 3.37Å; L146-F148 VanDerWaalsContact O-N 3.13Å; F148-V150 PolarHBondContact O-N 2.77Å
149N92Very high92.6Very high150 Ų15082.8 Ų82.880%0.80248%0.483SS*.  trans-77114.2165.5-170-90.2000108.8
150V89.4Confident92.3Very high25 Ų2581.8 Ų81.815%0.15247%0.469CS..  trans-106.8114.1177.5178.10000107.9K83 V131 L146 F148K83-V150 HydrophobicContact CD-CG1 3.82Å; K83-V150 HydrophobicContact CG-CG1 4.45Å; V131-V150 HydrophobicContact CG1-CB 4.33Å; V131-V150 HydrophobicContact CG1-CG1 4.26Å; V131-V150 HydrophobicContact CG1-CG2 4.37Å; L146-V150 HydrophobicContact CD1-CG2 4.42Å; L146-V150 HydrophobicContact CD2-CB 4.18Å; L146-V150 HydrophobicContact CD2-CG2 3.76Å; L146-V150 HydrophobicContact CG-CG2 4.45Å; F148-V150 PolarHBondContact O-N 2.77Å
151P85.8Confident92.2Very high83 Ų8384.3 Ų84.354%0.53946%0.464SS..  trans-67.9149.9-179.227.2-33.5000111.1K83K83-P151 PolarHBondContact NZ-O 3.39Å
152D77.9Confident91.9Very high182 Ų18279.9 Ų79.997%0.97345%0.449SS*.  trans-67.50-179.9-77.7-36.2000115.2K83K83-D152 PolarHBondContact NZ-OXT 3.07Å

Retrieved 152 of 152 residues in 60 ms (Link to these results)