A0A096MPK7_PAPAN Loading...

Family with sequence similarity 50 member B

AlphaFold DB , UniProt , Accession A0A096MPK7, Species PAPAN (Papio anubis, Olive baboon), Gene FAM50B, Length 325 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
1M43.7Very low55.7Low240 Ų240144.1 Ų144.1100%1.18273%0.725SS**  0100.60-79.4176.1172.200108.4Q3M1-Q3 PolarHBondContact O-N 3.48Å
2A45.9Very low57.3Low109 Ų109135.8 Ų135.890%0.90170%0.703SS**  trans-80112.8175.800000108.9Y4A2-Y4 PolarHBondContact O-N 3.49Å
3Q52.8Low58.6Low182 Ų182140.4 Ų140.485%0.8571%0.706SS**  trans-78.6111.7175-77.6177.8-15.400109.5M1 K5M1-Q3 PolarHBondContact O-N 3.48Å; Q3-K5 PolarHBondContact O-N 2.88Å
4Y52.1Low59.9Low176 Ų176133.8 Ų133.869%0.6968%0.684SS**  trans-75111.7177.9-178.3-105.4000110.3A2 G6 E10A2-Y4 PolarHBondContact O-N 3.49Å; Y4-G6 VanDerWaalsContact C-N 3.31Å; Y4-G6 PolarHBondContact O-N 3.42Å; Y4-E10 PolarHBondContact OH-OE2 3.38Å
5K55.9Low61.1Low211 Ų211133.9 Ų133.992%0.91768%0.683SS**  trans-89.359.7174.7-73.6-176.1175.7179.20111.1Q3Q3-K5 PolarHBondContact O-N 2.88Å
6G53.6Low62.3Low25 Ų25133.7 Ų133.726%0.25868%0.678SS.*  trans-87.8150172.900000111.8Y4Y4-G6 VanDerWaalsContact C-N 3.31Å; Y4-G6 PolarHBondContact O-N 3.42Å
7T62.7Low63.7Low97 Ų97131.9 Ų131.960%0.59567%0.67SS**  trans-56.1149.4-178.762.10000111.8R9 E10 A11T7-R9 PolarHBondContact O-N 2.83Å; T7-E10 PolarHBondContact N-OE2 3.45Å; T7-E10 PolarHBondContact O-N 3.27Å; T7-A11 PolarHBondContact O-N 3.41Å
8M58.1Low64.8Low183 Ų183130.2 Ų130.290%0.90166%0.662SS**Hα-helixtrans-50.6-25.6-175.9-85.2-158.8-79.700114.9G12M8-G12 PolarHBondContact O-N 3.42Å
9R59.7Low66.1Low223 Ų223130 Ų13084%0.84266%0.656SS**Hα-helixtrans-70.2-33.5174.7-87.7-179.2164.7177.8-3.8113.8T7 R13T7-R9 PolarHBondContact O-N 2.83Å; R9-R13 PolarHBondContact O-N 3.29Å
10E61.7Low67.1Low86 Ų86129.6 Ų129.640%0.40265%0.65SS.*Hα-helixtrans-75.8-33.3176.4-72.2175.7143.100111.7Y4 T7 G12 R13 A14Y4-E10 PolarHBondContact OH-OE2 3.38Å; T7-E10 PolarHBondContact N-OE2 3.45Å; T7-E10 PolarHBondContact O-N 3.27Å; E10-G12 VanDerWaalsContact C-N 3.32Å; E10-G12 PolarHBondContact O-N 2.9Å; E10-R13 PolarHBondContact O-N 3Å; E10-A14 WeakPolarHBondContact O-CB 3.37Å; E10-A14 PolarHBondContact O-N 3.43Å
11A66.4Low68.2Low53 Ų53131.2 Ų131.244%0.43865%0.648SS.*Hα-helixtrans-61-39.6174.100000112.3T7 A14 M15T7-A11 PolarHBondContact O-N 3.41Å; A11-A14 PolarHBondContact O-N 3.42Å; A11-M15 PolarHBondContact O-N 3.49Å
12G74.9Confident70.3Confident45 Ų45125.4 Ų125.446%0.46462%0.618SS.*Hα-helixtrans-65.7-39.8175.100000113.4M8 E10 H16M8-G12 PolarHBondContact O-N 3.42Å; E10-G12 VanDerWaalsContact C-N 3.32Å; E10-G12 PolarHBondContact O-N 2.9Å; G12-H16 PolarHBondContact O-N 2.92Å
13R74.8Confident72.4Confident195 Ų195126 Ų12674%0.73660%0.601SS**Hα-helixtrans-66.6-41.8174.3-73.9-176.5176.1177.6-1111.8R9 E10 H16 L17R9-R13 PolarHBondContact O-N 3.29Å; E10-R13 PolarHBondContact O-N 3Å; R13-H16 PolarHBondContact O-N 3.25Å; R13-L17 WeakPolarHBondContact O-CG 3.45Å; R13-L17 PolarHBondContact O-N 3.46Å
14A76.9Confident74Confident48 Ų48122.3 Ų122.340%0.39758%0.583SS.*Hα-helixtrans-62-43.4176.500000112E10 A11 H16 L17 L18E10-A14 WeakPolarHBondContact O-CB 3.37Å; E10-A14 PolarHBondContact O-N 3.43Å; A11-A14 PolarHBondContact O-N 3.42Å; A14-H16 PolarHBondContact O-N 3.47Å; A14-L17 PolarHBondContact O-N 3.11Å; A14-L18 WeakPolarHBondContact O-CG 3.34Å; A14-L18 PolarHBondContact O-N 2.89Å
15M76.8Confident75.8Confident135 Ų135122.9 Ų122.967%0.66558%0.584SS**Hα-helixtrans-61.4-42.2173.9-90-68.5-135.600112.7A11 L17 L18 K19A11-M15 PolarHBondContact O-N 3.49Å; M15-L17 PolarHBondContact O-N 2.98Å; M15-L18 PolarHBondContact O-N 3.34Å; M15-K19 WeakPolarHBondContact O-CB 3.39Å; M15-K19 PolarHBondContact O-N 3.35Å
16H80.8Confident77.5Confident131 Ų131118 Ų11861%0.60656%0.564SS**Hα-helixtrans-65.9-38.8178.2-166.679.7000112.2G12 R13 A14 K19 K20G12-H16 PolarHBondContact O-N 2.92Å; R13-H16 PolarHBondContact O-N 3.25Å; A14-H16 PolarHBondContact O-N 3.47Å; H16-K19 PolarHBondContact O-N 3.05Å; H16-K20 WeakPolarHBondContact O-CB 3.48Å; H16-K20 PolarHBondContact O-N 3.5Å
17L85.6Confident79.2Confident103 Ų103122.8 Ų122.854%0.53958%0.58SS.*Hα-helixtrans-67.7-37.5175.2-71.3171.3000112.3R13 A14 M15 K20 R21R13-L17 WeakPolarHBondContact O-CG 3.45Å; R13-L17 PolarHBondContact O-N 3.46Å; A14-L17 PolarHBondContact O-N 3.11Å; M15-L17 PolarHBondContact O-N 2.98Å; L17-K20 PolarHBondContact O-N 2.98Å; L17-R21 WeakPolarHBondContact O-CG 3.48Å; L17-R21 PolarHBondContact O-N 3.28Å
18L84.2Confident80.4Confident101 Ų101124.3 Ų124.353%0.52958%0.582SS.*Hα-helixtrans-64-48172.9-77.1166.5000111.4A14 M15 K20 R21 E22A14-L18 WeakPolarHBondContact O-CG 3.34Å; A14-L18 PolarHBondContact O-N 2.89Å; M15-L18 PolarHBondContact O-N 3.34Å; L18-K20 VanDerWaalsContact C-N 3.27Å; L18-K20 PolarHBondContact O-N 3.07Å; L18-R21 WeakPolarHBondContact O-CB 3.4Å; L18-R21 PolarHBondContact O-N 3.38Å; L18-R21 VanDerWaalsContact O-N 3.11Å; L18-E22 PolarHBondContact O-N 2.95Å
19K88.8Confident82Confident127 Ų127121.5 Ų121.555%0.55257%0.567SS**Hα-helixtrans-61.7-34.4176.4-168.3169.8-172170.10112.6M15 H16 K23M15-K19 WeakPolarHBondContact O-CB 3.39Å; M15-K19 PolarHBondContact O-N 3.35Å; H16-K19 PolarHBondContact O-N 3.05Å; K19-K23 PolarHBondContact O-N 2.91Å; K19-K23 VanDerWaalsContact O-N 3.1Å
20K87.3Confident83.6Confident121 Ų121115.2 Ų115.253%0.52655%0.553SS.*Hα-helixtrans-69.3-40.2174.4-169171.5-176.81770111.8H16 L17 L18 Q24H16-K20 WeakPolarHBondContact O-CB 3.48Å; H16-K20 PolarHBondContact O-N 3.5Å; L17-K20 PolarHBondContact O-N 2.98Å; L18-K20 VanDerWaalsContact C-N 3.27Å; L18-K20 PolarHBondContact O-N 3.07Å; K20-Q24 WeakPolarHBondContact O-CB 3.42Å; K20-Q24 VanDerWaalsContact O-CG 3.28Å; K20-Q24 WeakPolarHBondContact O-CG 3.19Å; K20-Q24 PolarHBondContact O-N 3.02Å
21R89.6Confident84.8Confident164 Ų164115.4 Ų115.462%0.61956%0.556SS**Hα-helixtrans-66.1-38174.3-76.4177.3-179.2174.81.1112.3L17 L18 Q24 R25L17-R21 WeakPolarHBondContact O-CG 3.48Å; L17-R21 PolarHBondContact O-N 3.28Å; L18-R21 WeakPolarHBondContact O-CB 3.4Å; L18-R21 PolarHBondContact O-N 3.38Å; L18-R21 VanDerWaalsContact O-N 3.11Å; R21-Q24 PolarHBondContact O-N 2.95Å; R21-R25 WeakPolarHBondContact O-CG 3.4Å; R21-R25 PolarHBondContact O-N 3.5Å
22E87.6Confident86Confident119 Ų119120.5 Ų120.556%0.55657%0.568SS**Hα-helixtrans-64.6-49.8177.4-168.9170.9-148.600111.2L18 Q24 R25 E26L18-E22 PolarHBondContact O-N 2.95Å; E22-Q24 VanDerWaalsContact C-N 3.28Å; E22-Q24 PolarHBondContact O-N 3.02Å; E22-R25 WeakPolarHBondContact O-CA 3.42Å; E22-R25 WeakPolarHBondContact O-CB 3.49Å; E22-R25 PolarHBondContact O-N 2.99Å; E22-E26 WeakPolarHBondContact O-CG 3.28Å; E22-E26 PolarHBondContact O-N 3.32Å
23K89.4Confident86.8Confident122 Ų122124 Ų12453%0.5357%0.573SS.*Hα-helixtrans-57.3-39.3172.6-77.4-174.4173.6-168.60113.3K19 R25 E26 Q27K19-K23 PolarHBondContact O-N 2.91Å; K19-K23 VanDerWaalsContact O-N 3.1Å; K23-R25 VanDerWaalsContact C-N 3.34Å; K23-E26 PolarHBondContact O-N 3.43Å; K23-Q27 WeakPolarHBondContact O-CB 3.5Å; K23-Q27 VanDerWaalsContact O-CG 3.27Å; K23-Q27 WeakPolarHBondContact O-CG 3.3Å; K23-Q27 PolarHBondContact O-N 3.1Å
24Q87.1Confident87.4Confident104 Ų104122 Ų12249%0.48657%0.565SS.*Hα-helixtrans-66.6-36.3176.2-76.9177.5-29.700112K20 R21 E22 M28K20-Q24 WeakPolarHBondContact O-CB 3.42Å; K20-Q24 VanDerWaalsContact O-CG 3.28Å; K20-Q24 WeakPolarHBondContact O-CG 3.19Å; K20-Q24 PolarHBondContact O-N 3.02Å; R21-Q24 PolarHBondContact O-N 2.95Å; E22-Q24 VanDerWaalsContact C-N 3.28Å; E22-Q24 PolarHBondContact O-N 3.02Å; Q24-M28 WeakPolarHBondContact O-CB 3.27Å; Q24-M28 WeakPolarHBondContact O-CG 3.47Å; Q24-M28 PolarHBondContact O-N 2.92Å
25R89.4Confident87.8Confident187 Ų187124.7 Ų124.771%0.70657%0.572SS**Hα-helixtrans-67-45.6174.3-76.7178.7171.9-167.4-3.9111.7R21 E22 K23 Q27 M28 E29R21-R25 WeakPolarHBondContact O-CG 3.4Å; R21-R25 PolarHBondContact O-N 3.5Å; E22-R25 WeakPolarHBondContact O-CA 3.42Å; E22-R25 WeakPolarHBondContact O-CB 3.49Å; E22-R25 PolarHBondContact O-N 2.99Å; K23-R25 VanDerWaalsContact C-N 3.34Å; R25-Q27 VanDerWaalsContact C-N 3.33Å; R25-Q27 PolarHBondContact O-N 2.92Å; R25-M28 WeakPolarHBondContact O-CB 3.45Å; R25-M28 PolarHBondContact O-N 3.36Å; R25-M28 VanDerWaalsContact O-N 3.16Å; R25-E29 WeakPolarHBondContact O-CG 3.5Å; R25-E29 PolarHBondContact O-N 2.91Å
26E91.6Very high88.2Confident108 Ų108120.5 Ų120.551%0.50556%0.559SS.*Hα-helixtrans-58.5-45.3175.6-70.1173.8170.100111.4E22 K23 M28 E29 V30E22-E26 WeakPolarHBondContact O-CG 3.28Å; E22-E26 PolarHBondContact O-N 3.32Å; K23-E26 PolarHBondContact O-N 3.43Å; E26-M28 VanDerWaalsContact C-N 3.34Å; E26-M28 PolarHBondContact O-N 3.26Å; E26-E29 PolarHBondContact O-N 3.47Å; E26-V30 WeakPolarHBondContact O-CG2 3.42Å; E26-V30 PolarHBondContact O-N 2.89Å
27Q89.9Confident88.3Confident126 Ų126120 Ų12059%0.58956%0.557SS**Hα-helixtrans-62.3-40.1176.1-74176.4-5.800112.5K23 R25 L31K23-Q27 WeakPolarHBondContact O-CB 3.5Å; K23-Q27 VanDerWaalsContact O-CG 3.27Å; K23-Q27 WeakPolarHBondContact O-CG 3.3Å; K23-Q27 PolarHBondContact O-N 3.1Å; R25-Q27 VanDerWaalsContact C-N 3.33Å; R25-Q27 PolarHBondContact O-N 2.92Å; Q27-L31 WeakPolarHBondContact O-CB 3.27Å; Q27-L31 VanDerWaalsContact O-CG 3.3Å; Q27-L31 WeakPolarHBondContact O-CG 3.35Å; Q27-L31 PolarHBondContact O-N 3.27Å
28M88.6Confident88Confident130 Ų130119.4 Ų119.464%0.6455%0.551SS**Hα-helixtrans-66.9-37.5176.4-75.7-70.9-65.600112.3Q24 R25 E26 K32Q24-M28 WeakPolarHBondContact O-CB 3.27Å; Q24-M28 WeakPolarHBondContact O-CG 3.47Å; Q24-M28 PolarHBondContact O-N 2.92Å; R25-M28 WeakPolarHBondContact O-CB 3.45Å; R25-M28 PolarHBondContact O-N 3.36Å; R25-M28 VanDerWaalsContact O-N 3.16Å; E26-M28 VanDerWaalsContact C-N 3.34Å; E26-M28 PolarHBondContact O-N 3.26Å; M28-K32 VanDerWaalsContact O-CB 3.27Å; M28-K32 WeakPolarHBondContact O-CB 3.25Å; M28-K32 PolarHBondContact O-N 3.16Å
29E90.9Very high87.7Confident124 Ų124118.6 Ų118.658%0.57955%0.55SS**Hα-helixtrans-67-43.2176.2-75.3179.1179.100111.6R25 E26 K32 Q33R25-E29 WeakPolarHBondContact O-CG 3.5Å; R25-E29 PolarHBondContact O-N 2.91Å; E26-E29 PolarHBondContact O-N 3.47Å; E29-K32 PolarHBondContact O-N 3.43Å; E29-Q33 WeakPolarHBondContact O-CG 3.34Å; E29-Q33 PolarHBondContact O-N 3Å
30V93.1Very high87Confident90 Ų90117.1 Ų117.155%0.54555%0.547SS..Hα-helixtrans-62.3-44.4174.9172.40000111.3E26 K32 Q33 R34E26-V30 WeakPolarHBondContact O-CG2 3.42Å; E26-V30 PolarHBondContact O-N 2.89Å; V30-K32 VanDerWaalsContact C-N 3.34Å; V30-K32 PolarHBondContact O-N 3Å; V30-Q33 PolarHBondContact O-N 2.98Å; V30-R34 WeakPolarHBondContact O-CB 3.38Å; V30-R34 PolarHBondContact O-N 3.37Å
31L86.8Confident86.2Confident90 Ų90116.1 Ų116.147%0.47155%0.547SS..Hα-helixtrans-63.8-39.6176.1-73.5170.8000111.9Q27 R34 I35Q27-L31 WeakPolarHBondContact O-CB 3.27Å; Q27-L31 VanDerWaalsContact O-CG 3.3Å; Q27-L31 WeakPolarHBondContact O-CG 3.35Å; Q27-L31 PolarHBondContact O-N 3.27Å; L31-R34 PolarHBondContact O-N 2.87Å; L31-I35 VanDerWaalsContact O-CG1 3.25Å; L31-I35 WeakPolarHBondContact O-CG1 3.46Å; L31-I35 PolarHBondContact O-N 3.43Å
32K93.1Very high85.3Confident160 Ų160115.5 Ų115.570%0.69655%0.549SS*.Hα-helixtrans-65.6-40.8177-171.6-179.9179.4-175.30111.8M28 E29 V30 A36M28-K32 VanDerWaalsContact O-CB 3.27Å; M28-K32 WeakPolarHBondContact O-CB 3.25Å; M28-K32 PolarHBondContact O-N 3.16Å; E29-K32 PolarHBondContact O-N 3.43Å; V30-K32 VanDerWaalsContact C-N 3.34Å; V30-K32 PolarHBondContact O-N 3Å; K32-A36 WeakPolarHBondContact O-CB 3.44Å; K32-A36 PolarHBondContact O-N 2.93Å
33Q90Very high84.4Confident118 Ų118112.6 Ų112.655%0.55154%0.542SS*.Hα-helixtrans-62.6-46.3173.7-73.11756.600110.9E29 V30 I35 A36 E37E29-Q33 WeakPolarHBondContact O-CG 3.34Å; E29-Q33 PolarHBondContact O-N 3Å; V30-Q33 PolarHBondContact O-N 2.98Å; Q33-I35 PolarHBondContact O-N 2.98Å; Q33-A36 WeakPolarHBondContact O-CB 3.36Å; Q33-A36 PolarHBondContact O-N 2.92Å; Q33-A36 VanDerWaalsContact O-N 3.16Å; Q33-E37 WeakPolarHBondContact O-CG 3.41Å; Q33-E37 PolarHBondContact O-N 2.7Å
34R88.6Confident83.2Confident155 Ų155111 Ų11159%0.58554%0.537SS*.Hα-helixtrans-59.9-43.5177-166.6178.8-169.51647.9113V30 L31 A36 E37 E38V30-R34 WeakPolarHBondContact O-CB 3.38Å; V30-R34 PolarHBondContact O-N 3.37Å; L31-R34 PolarHBondContact O-N 2.87Å; R34-A36 VanDerWaalsContact C-N 3.35Å; R34-E37 PolarHBondContact O-N 3.28Å; R34-E38 IonicContact NE-OE1 2.78Å; R34-E38 WeakPolarHBondContact O-CB 3.43Å; R34-E38 WeakPolarHBondContact O-CG 3.21Å; R34-E38 PolarHBondContact O-N 2.93Å
35I84.9Confident82.3Confident104 Ų104109.2 Ų109.253%0.53353%0.533SS..Hα-helixtrans-65.5-39.4176.6-68.5164.7000111L31 Q33 E38 T39L31-I35 VanDerWaalsContact O-CG1 3.25Å; L31-I35 WeakPolarHBondContact O-CG1 3.46Å; L31-I35 PolarHBondContact O-N 3.43Å; Q33-I35 PolarHBondContact O-N 2.98Å; I35-E38 PolarHBondContact O-N 3.37Å; I35-T39 WeakPolarHBondContact O-CB 3.39Å; I35-T39 PolarHBondContact O-N 3.01Å; I35-T39 PolarHBondContact O-OG1 3.48Å
36A85.6Confident81Confident47 Ų47106.1 Ų106.139%0.38853%0.53SS..Hα-helixtrans-64.6-44.5176.600000111.3K32 Q33 R34 T39 I40K32-A36 WeakPolarHBondContact O-CB 3.44Å; K32-A36 PolarHBondContact O-N 2.93Å; Q33-A36 WeakPolarHBondContact O-CB 3.36Å; Q33-A36 PolarHBondContact O-N 2.92Å; Q33-A36 VanDerWaalsContact O-N 3.16Å; R34-A36 VanDerWaalsContact C-N 3.35Å; A36-T39 PolarHBondContact O-N 2.9Å; A36-I40 WeakPolarHBondContact O-CB 3.44Å; A36-I40 WeakPolarHBondContact O-CD1 3.39Å; A36-I40 WeakPolarHBondContact O-CG1 3.49Å; A36-I40 PolarHBondContact O-N 3.4Å
37E82.1Confident79.7Confident120 Ų120108.1 Ų108.156%0.56154%0.537SS*.Hα-helixtrans-60.4-47.5174.8-72.2174.1-178.900111.6Q33 R34 T39 I40 L41Q33-E37 WeakPolarHBondContact O-CG 3.41Å; Q33-E37 PolarHBondContact O-N 2.7Å; R34-E37 PolarHBondContact O-N 3.28Å; E37-T39 VanDerWaalsContact C-N 3.3Å; E37-T39 PolarHBondContact O-N 2.89Å; E37-I40 PolarHBondContact O-N 3.42Å; E37-L41 WeakPolarHBondContact O-CB 3.49Å; E37-L41 VanDerWaalsContact O-CG 3.23Å; E37-L41 WeakPolarHBondContact O-CG 3.5Å; E37-L41 PolarHBondContact O-N 3.4Å
38E79.1Confident78.4Confident91 Ų91108.4 Ų108.443%0.42554%0.536SS..Hα-helixtrans-62.1-35.9176.4-75.6179.9-171.700112.6R34 I35 K42R34-E38 IonicContact NE-OE1 2.78Å; R34-E38 WeakPolarHBondContact O-CB 3.43Å; R34-E38 WeakPolarHBondContact O-CG 3.21Å; R34-E38 PolarHBondContact O-N 2.93Å; I35-E38 PolarHBondContact O-N 3.37Å; E38-K42 WeakPolarHBondContact O-CG 3.23Å; E38-K42 PolarHBondContact O-N 3.4Å
39T77.8Confident76.9Confident83 Ų83109.4 Ų109.451%0.50954%0.537SS..Hα-helixtrans-71.8-40.4177.6-54.30000111.6I35 A36 E37 K42 S43I35-T39 WeakPolarHBondContact O-CB 3.39Å; I35-T39 PolarHBondContact O-N 3.01Å; I35-T39 PolarHBondContact O-OG1 3.48Å; A36-T39 PolarHBondContact O-N 2.9Å; E37-T39 VanDerWaalsContact C-N 3.3Å; E37-T39 PolarHBondContact O-N 2.89Å; T39-K42 PolarHBondContact O-N 2.89Å; T39-S43 PolarHBondContact O-N 3.16Å; T39-S43 PolarHBondContact O-OG 3.5Å
40I75.3Confident75.4Confident96 Ų96107.1 Ų107.149%0.49254%0.535SS..Hα-helixtrans-63.3-44.3174.3-68.2162.8000109.8A36 E37 K42 S43 Q44A36-I40 WeakPolarHBondContact O-CB 3.44Å; A36-I40 WeakPolarHBondContact O-CD1 3.39Å; A36-I40 WeakPolarHBondContact O-CG1 3.49Å; A36-I40 PolarHBondContact O-N 3.4Å; E37-I40 PolarHBondContact O-N 3.42Å; I40-K42 PolarHBondContact O-N 3.3Å; I40-S43 PolarHBondContact O-N 3.37Å; I40-S43 PolarHBondContact O-OG 3.45Å; I40-Q44 WeakPolarHBondContact O-CG 3.49Å; I40-Q44 PolarHBondContact O-N 3.48Å
41L69.4Low73.9Confident101 Ų101106 Ų10653%0.52954%0.535SS..Hα-helixtrans-60.9-45176.5-71.8168.8000111.9E37 S43 Q44 V45E37-L41 WeakPolarHBondContact O-CB 3.49Å; E37-L41 VanDerWaalsContact O-CG 3.23Å; E37-L41 WeakPolarHBondContact O-CG 3.5Å; E37-L41 PolarHBondContact O-N 3.4Å; L41-S43 PolarHBondContact O-N 3.22Å; L41-Q44 WeakPolarHBondContact O-CB 3.41Å; L41-Q44 PolarHBondContact O-N 3.22Å; L41-V45 WeakPolarHBondContact O-CG2 3.49Å; L41-V45 PolarHBondContact O-N 3.49Å
42K70.5Confident72.6Confident150 Ų150106 Ų10665%0.65253%0.532SS*.Hα-helixtrans-60.1-45.5175.4-76.5177.2-177.7177.80112.2E38 T39 I40 Q44 V45E38-K42 WeakPolarHBondContact O-CG 3.23Å; E38-K42 PolarHBondContact O-N 3.4Å; T39-K42 PolarHBondContact O-N 2.89Å; I40-K42 PolarHBondContact O-N 3.3Å; K42-Q44 VanDerWaalsContact C-N 3.27Å; K42-Q44 PolarHBondContact O-N 3.33Å; K42-V45 WeakPolarHBondContact O-CB 3.43Å; K42-V45 PolarHBondContact O-N 3.11Å; K42-V45 VanDerWaalsContact O-N 3.11Å
43S69.2Low71.1Confident58 Ų58106.4 Ų106.441%0.40653%0.531SS..Hα-helixtrans-68.6-22.4177.971.10000114.2T39 I40 L41T39-S43 PolarHBondContact O-N 3.16Å; T39-S43 PolarHBondContact O-OG 3.5Å; I40-S43 PolarHBondContact O-N 3.37Å; I40-S43 PolarHBondContact O-OG 3.45Å; L41-S43 PolarHBondContact O-N 3.22Å
44Q65.5Low70.1Confident90 Ų90106 Ų10642%0.42153%0.532SS..Hα-helixtrans-75.6-27.5171.4-81-171.40.200113I40 L41 K42 K48I40-Q44 WeakPolarHBondContact O-CG 3.49Å; I40-Q44 PolarHBondContact O-N 3.48Å; L41-Q44 WeakPolarHBondContact O-CB 3.41Å; L41-Q44 PolarHBondContact O-N 3.22Å; K42-Q44 VanDerWaalsContact C-N 3.27Å; K42-Q44 PolarHBondContact O-N 3.33Å; Q44-K48 WeakPolarHBondContact O-CG 3.03Å; Q44-K48 PolarHBondContact O-N 3.4Å; Q44-K48 VanDerWaalsContact O-N 3.12Å
45V66.3Low69.2Low66 Ų66101.5 Ų101.540%0.453%0.528SS..Hα-helixtrans-66.5-46.5-179.8173.60000110.2L41 K42 K47 K48 F49L41-V45 WeakPolarHBondContact O-CG2 3.49Å; L41-V45 PolarHBondContact O-N 3.49Å; K42-V45 WeakPolarHBondContact O-CB 3.43Å; K42-V45 PolarHBondContact O-N 3.11Å; K42-V45 VanDerWaalsContact O-N 3.11Å; V45-K47 VanDerWaalsContact C-N 3.31Å; V45-K47 PolarHBondContact O-N 3.32Å; V45-K48 PolarHBondContact O-N 2.87Å; V45-K48 VanDerWaalsContact O-N 3.11Å; V45-F49 HydrophobicContact CG1-CD2 4.08Å; V45-F49 HydrophobicContact CG1-CE2 3.51Å; V45-F49 WeakPolarHBondContact O-CD2 3.48Å; V45-F49 PolarHBondContact O-N 2.87Å
46D62.5Low68.5Low121 Ų12198.4 Ų98.465%0.64751%0.514SS*.Hα-helixtrans-61.3-38.1178.3-66.3-37.7000112.7K48 F49 S50D46-K48 PolarHBondContact O-N 3.32Å; D46-F49 PolarHBondContact O-N 2.99Å; D46-S50 PolarHBondContact O-N 2.89Å
47K65.5Low68Low151 Ų15199.7 Ų99.766%0.65751%0.512SS*.Hα-helixtrans-71.7-25.4177.1-69.6-179.6-179.7178.80113.8V45 F49 S50 A51V45-K47 VanDerWaalsContact C-N 3.31Å; V45-K47 PolarHBondContact O-N 3.32Å; K47-F49 VanDerWaalsContact C-N 3.35Å; K47-S50 PolarHBondContact O-OG 3.07Å; K47-A51 PolarHBondContact O-N 3.35Å
48K62.4Low67.9Low132 Ų13296.6 Ų96.657%0.57451%0.507SS*.Hα-helixtrans-72.6-29.7177.2-76.8168.4-173.6178.60112Q44 V45 D46Q44-K48 WeakPolarHBondContact O-CG 3.03Å; Q44-K48 PolarHBondContact O-N 3.4Å; Q44-K48 VanDerWaalsContact O-N 3.12Å; V45-K48 PolarHBondContact O-N 2.87Å; V45-K48 VanDerWaalsContact O-N 3.11Å; D46-K48 PolarHBondContact O-N 3.32Å
49F56.3Low67.8Low150 Ų15097.2 Ų97.266%0.65851%0.51SS*.Hα-helixtrans-81.2-37.8177.6-68.4-68.9000112.8V45 D46 K47V45-F49 HydrophobicContact CG1-CD2 4.08Å; V45-F49 HydrophobicContact CG1-CE2 3.51Å; V45-F49 WeakPolarHBondContact O-CD2 3.48Å; V45-F49 PolarHBondContact O-N 2.87Å; D46-F49 PolarHBondContact O-N 2.99Å; K47-F49 VanDerWaalsContact C-N 3.35Å
50S59.8Low67.8Low76 Ų7694.5 Ų94.553%0.53149%0.492SS..Hα-helixtrans-69.9-4118065.30000113.1D46 K47 H52 Y53 D54D46-S50 PolarHBondContact O-N 2.89Å; K47-S50 PolarHBondContact O-OG 3.07Å; S50-H52 VanDerWaalsContact C-N 3.26Å; S50-H52 PolarHBondContact O-N 3.14Å; S50-Y53 PolarHBondContact O-N 3.44Å; S50-D54 PolarHBondContact O-N 2.85Å
51A60.8Low68.1Low66 Ų6695.6 Ų95.655%0.54549%0.494SS..Hα-helixtrans-67.6-25.3-179.600000113.4K47K47-A51 PolarHBondContact O-N 3.35Å
52H59.9Low68.6Low90 Ų9094.9 Ų94.942%0.41750%0.497SS..Hα-helixtrans-76-40.4179.3-176.4-84.4000112.2S50S50-H52 VanDerWaalsContact C-N 3.26Å; S50-H52 PolarHBondContact O-N 3.14Å
53Y60.8Low68.8Low169 Ų16990.5 Ų90.566%0.66349%0.485SS*.Hα-helixtrans-69-40.7-179.2-151.7-92.6000111.2S50 A55 V56 E57S50-Y53 PolarHBondContact O-N 3.44Å; Y53-A55 PolarHBondContact O-N 3.12Å; Y53-V56 PolarHBondContact O-N 3.11Å; Y53-E57 VanDerWaalsContact O-CB 3.28Å; Y53-E57 WeakPolarHBondContact O-CB 3.21Å; Y53-E57 PolarHBondContact O-N 3.33Å
54D69.6Low68.8Low109 Ų10989.2 Ų89.258%0.58348%0.475SS*.Hα-helixtrans-66.1-36.1-176.6-150.616.9000112.8S50 A58S50-D54 PolarHBondContact O-N 2.85Å; D54-A58 VanDerWaalsContact O-CB 3.28Å; D54-A58 WeakPolarHBondContact O-CB 3.12Å; D54-A58 PolarHBondContact O-N 3.09Å
55A70.4Confident69.4Low61 Ų6191.2 Ų91.250%0.50449%0.493SS..Hα-helixtrans-69.1-44.2177.700000112.8Y53 E57 A58 E59Y53-A55 PolarHBondContact O-N 3.12Å; A55-E57 VanDerWaalsContact C-N 3.34Å; A55-A58 PolarHBondContact O-N 2.7Å; A55-E59 PolarHBondContact O-N 2.65Å; A55-E59 VanDerWaalsContact O-N 3.16Å
56V70.9Confident69.9Low39 Ų3990.9 Ų90.924%0.23650%0.503CS..Hα-helixtrans-66.7-40.6177.7175.60000110.2Y53 E59 L60Y53-V56 PolarHBondContact O-N 3.11Å; V56-E59 PolarHBondContact O-N 3.36Å; V56-L60 HydrophobicContact CG1-CD1 3.67Å; V56-L60 VanDerWaalsContact O-CD1 3.31Å; V56-L60 WeakPolarHBondContact O-CD1 3.28Å; V56-L60 PolarHBondContact O-N 2.96Å
57E73.9Confident70.7Confident74 Ų7494.1 Ų94.135%0.34652%0.519SS..Hα-helixtrans-67.6-37.6178.9-167.5178.6166.500112.4Y53 A55 K61Y53-E57 VanDerWaalsContact O-CB 3.28Å; Y53-E57 WeakPolarHBondContact O-CB 3.21Å; Y53-E57 PolarHBondContact O-N 3.33Å; A55-E57 VanDerWaalsContact C-N 3.34Å; E57-K61 VanDerWaalsContact CD-NZ 3.3Å; E57-K61 HydrophobicContact CG-CD 4.15Å; E57-K61 VanDerWaalsContact O-CB 3.29Å; E57-K61 WeakPolarHBondContact O-CB 3.1Å; E57-K61 WeakPolarHBondContact O-CG 3.29Å; E57-K61 PolarHBondContact O-N 3.34Å; E57-K61 WeakPolarHBondContact OE1-CE 3.19Å; E57-K61 IonicContact OE1-NZ 3.41Å; E57-K61 PolarHBondContact OE1-NZ 3.28Å
58A79.3Confident71.5Confident55 Ų5588.9 Ų88.946%0.45550%0.5SS..Hα-helixtrans-65.3-38.7174.500000112.8D54 A55 S62D54-A58 VanDerWaalsContact O-CB 3.28Å; D54-A58 WeakPolarHBondContact O-CB 3.12Å; D54-A58 PolarHBondContact O-N 3.09Å; A55-A58 PolarHBondContact O-N 2.7Å; A58-S62 WeakPolarHBondContact O-CB 3.28Å; A58-S62 PolarHBondContact O-N 3.32Å; A58-S62 PolarHBondContact O-OG 2.84Å
59E77.1Confident72.7Confident105 Ų10586.2 Ų86.249%0.49150%0.495SS..Hα-helixtrans-71.8-40177.7-165.5170.5-168.800111.7A55 V56 S62 S63 L80A55-E59 PolarHBondContact O-N 2.65Å; A55-E59 VanDerWaalsContact O-N 3.16Å; V56-E59 PolarHBondContact O-N 3.36Å; E59-S62 PolarHBondContact O-OG 3.47Å; E59-S62 VanDerWaalsContact O-OG 3.09Å; E59-S63 VanDerWaalsContact O-CB 3.25Å; E59-S63 WeakPolarHBondContact O-CB 3.48Å; E59-S63 PolarHBondContact O-N 2.95Å; E59-L80 HydrophobicContact CG-CD1 4.34Å; E59-L80 HydrophobicContact CG-CD2 3.89Å; E59-L80 WeakPolarHBondContact OE2-CD2 3.5Å
60L78.9Confident73.9Confident25 Ų2586 Ų8613%0.13150%0.5CS..Hα-helixtrans-59.9-52.2169.8-98.2109000111V56 S62 S63 T64 Q77 L80V56-L60 HydrophobicContact CG1-CD1 3.67Å; V56-L60 VanDerWaalsContact O-CD1 3.31Å; V56-L60 WeakPolarHBondContact O-CD1 3.28Å; V56-L60 PolarHBondContact O-N 2.96Å; L60-S62 VanDerWaalsContact C-N 3.32Å; L60-S62 PolarHBondContact O-N 3.12Å; L60-S63 PolarHBondContact O-N 2.96Å; L60-S63 VanDerWaalsContact O-N 3.13Å; L60-T64 WeakPolarHBondContact O-CB 3.48Å; L60-T64 VanDerWaalsContact O-CG2 3.23Å; L60-T64 WeakPolarHBondContact O-CG2 3.3Å; L60-T64 PolarHBondContact O-N 3Å; L60-T64 PolarHBondContact O-OG1 3.44Å; L60-Q77 HydrophobicContact CD2-CB 4.14Å; L60-Q77 HydrophobicContact CD2-CG 4.42Å; L60-L80 HydrophobicContact CD1-CD1 3.47Å; L60-L80 VanDerWaalsContact CD1-CD1 3.47Å; L60-L80 HydrophobicContact CG-CD1 3.77Å
61K80.6Confident75.1Confident120 Ų12088.2 Ų88.252%0.52251%0.506SS..Hα-helixtrans-58-40.6-178.4-78.2170.6-179.2165.30113.1E57E57-K61 VanDerWaalsContact CD-NZ 3.3Å; E57-K61 HydrophobicContact CG-CD 4.15Å; E57-K61 VanDerWaalsContact O-CB 3.29Å; E57-K61 WeakPolarHBondContact O-CB 3.1Å; E57-K61 WeakPolarHBondContact O-CG 3.29Å; E57-K61 PolarHBondContact O-N 3.34Å; E57-K61 WeakPolarHBondContact OE1-CE 3.19Å; E57-K61 IonicContact OE1-NZ 3.41Å; E57-K61 PolarHBondContact OE1-NZ 3.28Å
62S80.8Confident76.2Confident85 Ų8588.8 Ų88.859%0.59450%0.5SS*.Hα-helixtrans-73.3-33.717861.20000112.6A58 E59 L60A58-S62 WeakPolarHBondContact O-CB 3.28Å; A58-S62 PolarHBondContact O-N 3.32Å; A58-S62 PolarHBondContact O-OG 2.84Å; E59-S62 PolarHBondContact O-OG 3.47Å; E59-S62 VanDerWaalsContact O-OG 3.09Å; L60-S62 VanDerWaalsContact C-N 3.32Å; L60-S62 PolarHBondContact O-N 3.12Å
63S73.3Confident77.3Confident58 Ų5887.7 Ų87.741%0.40650%0.495SS..Hα-helixtrans-72-31.7175.4-174.40000112.9E59 L60 V65 R76E59-S63 VanDerWaalsContact O-CB 3.25Å; E59-S63 WeakPolarHBondContact O-CB 3.48Å; E59-S63 PolarHBondContact O-N 2.95Å; L60-S63 PolarHBondContact O-N 2.96Å; L60-S63 VanDerWaalsContact O-N 3.13Å; S63-V65 PolarHBondContact O-N 2.98Å; S63-R76 PolarHBondContact O-NH1 3.39Å; S63-R76 PolarHBondContact OG-NH1 3.16Å; S63-R76 VanDerWaalsContact OG-NH1 3.16Å
64T70.8Confident78.4Confident32 Ų3285.7 Ų85.720%0.19649%0.49CS..THydrogen-bonded Turntrans-9622.6-168.358.40000114.9L60 G66 M73L60-T64 WeakPolarHBondContact O-CB 3.48Å; L60-T64 VanDerWaalsContact O-CG2 3.23Å; L60-T64 WeakPolarHBondContact O-CG2 3.3Å; L60-T64 PolarHBondContact O-N 3Å; L60-T64 PolarHBondContact O-OG1 3.44Å; T64-G66 PolarHBondContact O-N 2.88Å; T64-G66 VanDerWaalsContact O-N 3.16Å; T64-M73 HydrophobicContact CG2-CE 3.73Å; T64-M73 HydrophobicContact CG2-SD 3.26Å; T64-M73 WeakPolarHBondContact CG2-SD 3.31Å
65V76.9Confident79.2Confident131 Ų13183.2 Ų83.279%0.79449%0.485SS*.  trans-76.7102.5175.2-175.10000109.8S63S63-V65 PolarHBondContact O-N 2.98Å
66G77.9Confident79.8Confident60 Ų6084.8 Ų84.862%0.61948%0.477SS*.SBendtrans147.4-176.4175.900000114T64 V68T64-G66 PolarHBondContact O-N 2.88Å; T64-G66 VanDerWaalsContact O-N 3.16Å; G66-V68 PolarHBondContact O-N 3.42Å
67L79.3Confident80.3Confident188 Ų18887.6 Ų87.698%0.98449%0.488SS*.  trans-77.1103.3172.9-169.970.3000109.1
68V82.8Confident80.8Confident42 Ų4289.5 Ų89.526%0.25550%0.497SS..  trans-121.2137.5-176-177.80000109.1G66 D72 M73G66-V68 PolarHBondContact O-N 3.42Å; V68-D72 HydrophobicContact CG1-CB 3.46Å; V68-D72 VanDerWaalsContact CG1-CB 3.46Å; V68-M73 HydrophobicContact CB-CG 4.46Å; V68-M73 HydrophobicContact CB-SD 4.33Å; V68-M73 HydrophobicContact CG1-CG 3.86Å; V68-M73 HydrophobicContact CG1-SD 3.93Å
69T86Confident81.2Confident76 Ų7689.3 Ų89.347%0.46650%0.496SS..  trans-77.1157.117873.60000111.3N71 D72 M73T69-N71 PolarHBondContact O-N 3.11Å; T69-D72 PolarHBondContact N-OD2 3.41Å; T69-D72 PolarHBondContact O-N 3.18Å; T69-D72 VanDerWaalsContact O-N 3.1Å; T69-D72 PolarHBondContact OG1-N 2.59Å; T69-D72 PolarHBondContact OG1-OD2 3.01Å; T69-M73 PolarHBondContact O-N 3.12Å; T69-M73 VanDerWaalsContact O-N 3.07Å
70L81.1Confident81.4Confident144 Ų14485.7 Ų85.775%0.75448%0.48SS*.Hα-helixtrans-57.9-31.1177.7-72.3173000112.9K74L70-K74 WeakPolarHBondContact O-CG 3.26Å; L70-K74 PolarHBondContact O-N 2.63Å
71N85.9Confident81.6Confident124 Ų12488 Ų8866%0.66349%0.491SS*.Hα-helixtrans-71.8-40.7177.7-68-18.5000111.4T69 M73 K74 A75T69-N71 PolarHBondContact O-N 3.11Å; N71-M73 VanDerWaalsContact C-N 3.33Å; N71-M73 PolarHBondContact O-N 3.31Å; N71-K74 PolarHBondContact O-N 3.22Å; N71-A75 WeakPolarHBondContact O-CB 3.48Å; N71-A75 PolarHBondContact O-N 2.91Å
72D84.4Confident81.9Confident78 Ų7888.6 Ų88.642%0.41749%0.49SS..Hα-helixtrans-65.9-36.4176.9-61.6-37.7000111.7V68 T69 R76V68-D72 HydrophobicContact CG1-CB 3.46Å; V68-D72 VanDerWaalsContact CG1-CB 3.46Å; T69-D72 PolarHBondContact N-OD2 3.41Å; T69-D72 PolarHBondContact O-N 3.18Å; T69-D72 VanDerWaalsContact O-N 3.1Å; T69-D72 PolarHBondContact OG1-N 2.59Å; T69-D72 PolarHBondContact OG1-OD2 3.01Å; D72-R76 WeakPolarHBondContact O-CB 3.39Å; D72-R76 VanDerWaalsContact O-CG 3.24Å; D72-R76 WeakPolarHBondContact O-CG 3.5Å; D72-R76 PolarHBondContact O-N 3.32Å
73M81.9Confident82.1Confident66 Ų6689.6 Ų89.633%0.32549%0.486SS..Hα-helixtrans-62.1-47.2174.4-71.8-66.6-66.400112T64 V68 T69 N71 R76 Q77T64-M73 HydrophobicContact CG2-CE 3.73Å; T64-M73 HydrophobicContact CG2-SD 3.26Å; T64-M73 WeakPolarHBondContact CG2-SD 3.31Å; V68-M73 HydrophobicContact CB-CG 4.46Å; V68-M73 HydrophobicContact CB-SD 4.33Å; V68-M73 HydrophobicContact CG1-CG 3.86Å; V68-M73 HydrophobicContact CG1-SD 3.93Å; T69-M73 PolarHBondContact O-N 3.12Å; T69-M73 VanDerWaalsContact O-N 3.07Å; N71-M73 VanDerWaalsContact C-N 3.33Å; N71-M73 PolarHBondContact O-N 3.31Å; M73-R76 PolarHBondContact O-N 2.95Å; M73-Q77 WeakPolarHBondContact O-CB 3.45Å; M73-Q77 PolarHBondContact O-N 3.16Å
74K85.1Confident82.3Confident128 Ų12891.9 Ų91.956%0.55749%0.485SS*.Hα-helixtrans-64.5-44.4178-73.7-179.2178.5-177.90111.8L70 N71 R76 Q77 E78L70-K74 WeakPolarHBondContact O-CG 3.26Å; L70-K74 PolarHBondContact O-N 2.63Å; N71-K74 PolarHBondContact O-N 3.22Å; K74-R76 VanDerWaalsContact C-N 3.3Å; K74-R76 PolarHBondContact O-N 2.91Å; K74-Q77 PolarHBondContact O-N 2.83Å; K74-E78 WeakPolarHBondContact O-CG 3.47Å; K74-E78 PolarHBondContact O-N 3.13Å
75A86.9Confident82.8Confident56 Ų5696.2 Ų96.246%0.46350%0.503SS..Hα-helixtrans-60.4-39.9178.100000112.1N71 A79N71-A75 WeakPolarHBondContact O-CB 3.48Å; N71-A75 PolarHBondContact O-N 2.91Å; A75-A79 WeakPolarHBondContact O-CB 3.23Å; A75-A79 PolarHBondContact O-N 3.39Å
76R82Confident83.4Confident94 Ų9497.6 Ų97.636%0.35549%0.494SS..Hα-helixtrans-68.8-40.6176.2-72.3176.2-173.3-158.78.4112.5S63 D72 M73 K74 A79 L80S63-R76 PolarHBondContact O-NH1 3.39Å; S63-R76 PolarHBondContact OG-NH1 3.16Å; S63-R76 VanDerWaalsContact OG-NH1 3.16Å; D72-R76 WeakPolarHBondContact O-CB 3.39Å; D72-R76 VanDerWaalsContact O-CG 3.24Å; D72-R76 WeakPolarHBondContact O-CG 3.5Å; D72-R76 PolarHBondContact O-N 3.32Å; M73-R76 PolarHBondContact O-N 2.95Å; K74-R76 VanDerWaalsContact C-N 3.3Å; K74-R76 PolarHBondContact O-N 2.91Å; R76-A79 PolarHBondContact O-N 3.31Å; R76-L80 WeakPolarHBondContact O-CG 3.33Å; R76-L80 PolarHBondContact O-N 2.9Å; R76-L80 VanDerWaalsContact O-N 3.09Å
77Q81.3Confident83.7Confident99 Ų9999 Ų9946%0.46349%0.485SS..Hα-helixtrans-61-47.7175.3-171.9178.9-0.900111.4L60 M73 K74 A79 L80 I81L60-Q77 HydrophobicContact CD2-CB 4.14Å; L60-Q77 HydrophobicContact CD2-CG 4.42Å; M73-Q77 WeakPolarHBondContact O-CB 3.45Å; M73-Q77 PolarHBondContact O-N 3.16Å; K74-Q77 PolarHBondContact O-N 2.83Å; Q77-A79 VanDerWaalsContact C-N 3.34Å; Q77-A79 PolarHBondContact O-N 3.47Å; Q77-L80 PolarHBondContact O-N 2.92Å; Q77-I81 HydrophobicContact CG-CD1 4.09Å; Q77-I81 VanDerWaalsContact O-CG1 3.3Å; Q77-I81 WeakPolarHBondContact O-CG1 3.2Å; Q77-I81 PolarHBondContact O-N 3.01Å; Q77-I81 VanDerWaalsContact O-N 3.11Å
78E85.4Confident84Confident113 Ų11393 Ų9353%0.52845%0.454SS..Hα-helixtrans-64-38.2177.9-72.7177.7-167.500112.5K74 I81 R82K74-E78 WeakPolarHBondContact O-CG 3.47Å; K74-E78 PolarHBondContact O-N 3.13Å; E78-I81 PolarHBondContact O-N 3.03Å; E78-R82 VanDerWaalsContact O-CB 3.28Å; E78-R82 WeakPolarHBondContact O-CB 3.38Å; E78-R82 PolarHBondContact O-N 2.91Å
79A86.8Confident84.3Confident52 Ų5293 Ų9343%0.4346%0.457SS..Hα-helixtrans-63.2-45.3177.600000112.1A75 R76 Q77 R82 E83A75-A79 WeakPolarHBondContact O-CB 3.23Å; A75-A79 PolarHBondContact O-N 3.39Å; R76-A79 PolarHBondContact O-N 3.31Å; Q77-A79 VanDerWaalsContact C-N 3.34Å; Q77-A79 PolarHBondContact O-N 3.47Å; A79-R82 PolarHBondContact O-N 2.87Å; A79-E83 WeakPolarHBondContact O-CB 3.5Å; A79-E83 PolarHBondContact O-N 3.45Å
80L82.5Confident84.5Confident29 Ų2996.5 Ų96.515%0.15247%0.466CS..Hα-helixtrans-63.6-42.7178-76.7169.7000112.1E59 L60 R76 Q77 R84E59-L80 HydrophobicContact CG-CD1 4.34Å; E59-L80 HydrophobicContact CG-CD2 3.89Å; E59-L80 WeakPolarHBondContact OE2-CD2 3.5Å; L60-L80 HydrophobicContact CD1-CD1 3.47Å; L60-L80 VanDerWaalsContact CD1-CD1 3.47Å; L60-L80 HydrophobicContact CG-CD1 3.77Å; R76-L80 WeakPolarHBondContact O-CG 3.33Å; R76-L80 PolarHBondContact O-N 2.9Å; R76-L80 VanDerWaalsContact O-N 3.09Å; Q77-L80 PolarHBondContact O-N 2.92Å; L80-R84 WeakPolarHBondContact O-CB 3.16Å; L80-R84 PolarHBondContact O-N 2.86Å
81I81.8Confident84.9Confident74 Ų7497.4 Ų97.438%0.37946%0.459SS..Hα-helixtrans-61.2-48.1175.7-67.4167.6000110.2Q77 E78 E83 R84 E85Q77-I81 HydrophobicContact CG-CD1 4.09Å; Q77-I81 VanDerWaalsContact O-CG1 3.3Å; Q77-I81 WeakPolarHBondContact O-CG1 3.2Å; Q77-I81 PolarHBondContact O-N 3.01Å; Q77-I81 VanDerWaalsContact O-N 3.11Å; E78-I81 PolarHBondContact O-N 3.03Å; I81-E83 PolarHBondContact O-N 3.45Å; I81-R84 WeakPolarHBondContact O-CB 3.28Å; I81-R84 PolarHBondContact O-N 2.64Å; I81-E85 WeakPolarHBondContact O-CG 3.39Å; I81-E85 PolarHBondContact O-N 2.86Å
82R87.3Confident84.9Confident131 Ų13197.1 Ų97.149%0.49445%0.454SS..Hα-helixtrans-65.1-39.5-178.5-171.5-178.7-65.6153.62.9112.8E78 A79 R84 R86E78-R82 VanDerWaalsContact O-CB 3.28Å; E78-R82 WeakPolarHBondContact O-CB 3.38Å; E78-R82 PolarHBondContact O-N 2.91Å; A79-R82 PolarHBondContact O-N 2.87Å; R82-R84 VanDerWaalsContact C-N 3.31Å; R82-R86 VanDerWaalsContact O-CG 3.32Å; R82-R86 WeakPolarHBondContact O-CG 3.33Å; R82-R86 PolarHBondContact O-N 2.81Å; R82-R86 VanDerWaalsContact O-N 3.14Å
83E84.4Confident85.2Confident107 Ų10798.9 Ų98.950%0.546%0.46SS..Hα-helixtrans-64.6-40.1175.6-176.1166.5-170.300111.2A79 I81 R86 Q87A79-E83 WeakPolarHBondContact O-CB 3.5Å; A79-E83 PolarHBondContact O-N 3.45Å; I81-E83 PolarHBondContact O-N 3.45Å; E83-R86 WeakPolarHBondContact O-CB 3.42Å; E83-R86 PolarHBondContact O-N 2.73Å; E83-Q87 WeakPolarHBondContact O-CG 3.4Å; E83-Q87 PolarHBondContact O-N 3.35Å
84R78Confident85.6Confident105 Ų105101.4 Ų101.440%0.39647%0.474SS..Hα-helixtrans-66.7-43.5177.7-172.657.1171.4-172.6-5.4112.8L80 I81 R82 R86 Q87 L88L80-R84 WeakPolarHBondContact O-CB 3.16Å; L80-R84 PolarHBondContact O-N 2.86Å; I81-R84 WeakPolarHBondContact O-CB 3.28Å; I81-R84 PolarHBondContact O-N 2.64Å; R82-R84 VanDerWaalsContact C-N 3.31Å; R84-R86 VanDerWaalsContact C-N 3.28Å; R84-R86 PolarHBondContact O-N 2.81Å; R84-Q87 VanDerWaalsContact NH1-OE1 3.08Å; R84-Q87 WeakPolarHBondContact O-CB 3.49Å; R84-Q87 PolarHBondContact O-N 3.27Å; R84-Q87 VanDerWaalsContact O-N 3.1Å; R84-L88 HydrophobicContact CG-CD1 4.46Å; R84-L88 WeakPolarHBondContact O-CG 3.47Å; R84-L88 PolarHBondContact O-N 2.96Å
85E81.6Confident85.8Confident124 Ų124100.9 Ų100.958%0.57947%0.474SS*.Hα-helixtrans-57.2-42.8174-75176169.200111.4I81 Q87 L88 A89I81-E85 WeakPolarHBondContact O-CG 3.39Å; I81-E85 PolarHBondContact O-N 2.86Å; E85-Q87 VanDerWaalsContact C-N 3.35Å; E85-Q87 PolarHBondContact O-N 3.47Å; E85-L88 PolarHBondContact O-N 2.94Å; E85-A89 WeakPolarHBondContact O-CB 3.39Å; E85-A89 PolarHBondContact O-N 3.08Å
86R89.1Confident85.8Confident159 Ų159103.9 Ų103.960%0.648%0.478SS*.Hα-helixtrans-62.3-39.9174.3-71.3171.9-176.6167.8-0.5112.5R82 E83 R84 K90R82-R86 VanDerWaalsContact O-CG 3.32Å; R82-R86 WeakPolarHBondContact O-CG 3.33Å; R82-R86 PolarHBondContact O-N 2.81Å; R82-R86 VanDerWaalsContact O-N 3.14Å; E83-R86 WeakPolarHBondContact O-CB 3.42Å; E83-R86 PolarHBondContact O-N 2.73Å; R84-R86 VanDerWaalsContact C-N 3.28Å; R84-R86 PolarHBondContact O-N 2.81Å; R86-K90 WeakPolarHBondContact O-CG 3.46Å; R86-K90 PolarHBondContact O-N 3.44Å
87Q84.7Confident86.2Confident91 Ų91104.5 Ų104.543%0.42549%0.485SS..Hα-helixtrans-65.6-42.1176.3-71.9178.83.600111.9E83 R84 E85 K90 R91E83-Q87 WeakPolarHBondContact O-CG 3.4Å; E83-Q87 PolarHBondContact O-N 3.35Å; R84-Q87 VanDerWaalsContact NH1-OE1 3.08Å; R84-Q87 WeakPolarHBondContact O-CB 3.49Å; R84-Q87 PolarHBondContact O-N 3.27Å; R84-Q87 VanDerWaalsContact O-N 3.1Å; E85-Q87 VanDerWaalsContact C-N 3.35Å; E85-Q87 PolarHBondContact O-N 3.47Å; Q87-K90 PolarHBondContact O-N 3.16Å; Q87-R91 PolarHBondContact O-N 2.85Å
88L85.5Confident86.6Confident62 Ų62107.3 Ų107.333%0.32549%0.492SS..Hα-helixtrans-64.4-44.7176.7-71.2172.9000111.4R84 E85 K90 R91 Q92R84-L88 HydrophobicContact CG-CD1 4.46Å; R84-L88 WeakPolarHBondContact O-CG 3.47Å; R84-L88 PolarHBondContact O-N 2.96Å; E85-L88 PolarHBondContact O-N 2.94Å; L88-K90 PolarHBondContact O-N 3.24Å; L88-R91 PolarHBondContact O-N 2.91Å; L88-R91 VanDerWaalsContact O-N 3.14Å; L88-Q92 WeakPolarHBondContact O-CG 3.49Å; L88-Q92 PolarHBondContact O-N 3.5Å
89A88.4Confident86.9Confident40 Ų40106 Ų10633%0.33149%0.488SS..Hα-helixtrans-59.4-44.7175.800000111.8E85 R91 Q92 Q93E85-A89 WeakPolarHBondContact O-CB 3.39Å; E85-A89 PolarHBondContact O-N 3.08Å; A89-R91 VanDerWaalsContact C-N 3.32Å; A89-R91 PolarHBondContact O-N 3.02Å; A89-Q92 PolarHBondContact O-N 3.32Å; A89-Q93 WeakPolarHBondContact O-CG 3.18Å; A89-Q93 PolarHBondContact O-N 3.34Å
90K91.4Very high87Confident151 Ų151108.5 Ų108.566%0.65749%0.49SS*.Hα-helixtrans-60.3-40.6174.5-76.6179.3-179.4-176.90112.3R86 Q87 L88 L94R86-K90 WeakPolarHBondContact O-CG 3.46Å; R86-K90 PolarHBondContact O-N 3.44Å; Q87-K90 PolarHBondContact O-N 3.16Å; L88-K90 PolarHBondContact O-N 3.24Å; K90-L94 WeakPolarHBondContact O-CB 3.47Å; K90-L94 PolarHBondContact O-N 2.92Å
91R88.3Confident87.4Confident162 Ų162112.3 Ų112.361%0.61151%0.507SS*.Hα-helixtrans-67.7-41.6179.2-162.2174.381.9178.74.8111.7Q87 L88 A89 L94 E95Q87-R91 PolarHBondContact O-N 2.85Å; L88-R91 PolarHBondContact O-N 2.91Å; L88-R91 VanDerWaalsContact O-N 3.14Å; A89-R91 VanDerWaalsContact C-N 3.32Å; A89-R91 PolarHBondContact O-N 3.02Å; R91-L94 PolarHBondContact O-N 2.96Å; R91-E95 WeakPolarHBondContact O-CB 3.42Å; R91-E95 PolarHBondContact O-N 3.29Å
92Q86.8Confident87.8Confident118 Ų118113.1 Ų113.155%0.55151%0.51SS*.Hα-helixtrans-62-46.9174.7-74174.4-17.100111.3L88 A89 L94 E95 E96L88-Q92 WeakPolarHBondContact O-CG 3.49Å; L88-Q92 PolarHBondContact O-N 3.5Å; A89-Q92 PolarHBondContact O-N 3.32Å; Q92-L94 VanDerWaalsContact C-N 3.31Å; Q92-L94 PolarHBondContact O-N 3.44Å; Q92-E95 PolarHBondContact O-N 3.23Å; Q92-E95 VanDerWaalsContact O-N 3.16Å; Q92-E96 WeakPolarHBondContact O-CB 3.37Å; Q92-E96 WeakPolarHBondContact O-CG 3.48Å; Q92-E96 PolarHBondContact O-N 3.37Å
93Q89.1Confident87.9Confident115 Ų115113 Ų11354%0.53751%0.509SS..Hα-helixtrans-58.8-41.7176.1-74.6-179.7-10.500112.4A89 Q97A89-Q93 WeakPolarHBondContact O-CG 3.18Å; A89-Q93 PolarHBondContact O-N 3.34Å; Q93-Q97 WeakPolarHBondContact O-CB 3.49Å; Q93-Q97 VanDerWaalsContact O-CG 3.26Å; Q93-Q97 WeakPolarHBondContact O-CG 3.42Å; Q93-Q97 PolarHBondContact O-N 2.96Å
94L90.9Very high88.2Confident119 Ų119113 Ų11362%0.62351%0.512SS*.Hα-helixtrans-64.9-41.7176.9-166.588.2000111.8K90 R91 Q92 Q97 R98K90-L94 WeakPolarHBondContact O-CB 3.47Å; K90-L94 PolarHBondContact O-N 2.92Å; R91-L94 PolarHBondContact O-N 2.96Å; Q92-L94 VanDerWaalsContact C-N 3.31Å; Q92-L94 PolarHBondContact O-N 3.44Å; L94-Q97 PolarHBondContact O-N 3.46Å; L94-R98 WeakPolarHBondContact O-CB 3.28Å; L94-R98 PolarHBondContact O-N 2.9Å
95E89.2Confident88.8Confident117 Ų117115.5 Ų115.555%0.54752%0.521SS..Hα-helixtrans-66.8-41.6178.8-170.4168-166.700111.5R91 Q92 R98 L99R91-E95 WeakPolarHBondContact O-CB 3.42Å; R91-E95 PolarHBondContact O-N 3.29Å; Q92-E95 PolarHBondContact O-N 3.23Å; Q92-E95 VanDerWaalsContact O-N 3.16Å; E95-R98 WeakPolarHBondContact O-CB 3.41Å; E95-R98 PolarHBondContact O-N 3.47Å; E95-L99 WeakPolarHBondContact O-CB 3.28Å; E95-L99 PolarHBondContact O-N 3.38Å
96E87.7Confident89.2Confident119 Ų119116.2 Ų116.256%0.55653%0.525SS*.Hα-helixtrans-61.2-44.9172.9-74.8178.1174.300112.1Q92 R98 L99 Q100Q92-E96 WeakPolarHBondContact O-CB 3.37Å; Q92-E96 WeakPolarHBondContact O-CG 3.48Å; Q92-E96 PolarHBondContact O-N 3.37Å; E96-R98 VanDerWaalsContact C-N 3.31Å; E96-R98 PolarHBondContact O-N 2.99Å; E96-L99 PolarHBondContact O-N 3.33Å; E96-Q100 WeakPolarHBondContact O-CB 3.42Å; E96-Q100 VanDerWaalsContact O-CG 3.29Å; E96-Q100 WeakPolarHBondContact O-CG 3.47Å; E96-Q100 PolarHBondContact O-N 3.49Å
97Q89.5Confident89Confident107 Ų107114.4 Ų114.450%0.552%0.523SS..Hα-helixtrans-61-41.2174.8-75.5176.516.300111.5Q93 L94 Q100 Q101Q93-Q97 WeakPolarHBondContact O-CB 3.49Å; Q93-Q97 VanDerWaalsContact O-CG 3.26Å; Q93-Q97 WeakPolarHBondContact O-CG 3.42Å; Q93-Q97 PolarHBondContact O-N 2.96Å; L94-Q97 PolarHBondContact O-N 3.46Å; Q97-Q100 PolarHBondContact O-N 3.39Å; Q97-Q101 WeakPolarHBondContact O-CG 3.46Å; Q97-Q101 PolarHBondContact O-N 3.14Å
98R91.2Very high89.1Confident159 Ų159116 Ų11660%0.653%0.53SS*.Hα-helixtrans-63.4-45.5177-159.3-176.4101.6-162.10.2111.3L94 E95 E96 Q100 Q101 E102L94-R98 WeakPolarHBondContact O-CB 3.28Å; L94-R98 PolarHBondContact O-N 2.9Å; E95-R98 WeakPolarHBondContact O-CB 3.41Å; E95-R98 PolarHBondContact O-N 3.47Å; E96-R98 VanDerWaalsContact C-N 3.31Å; E96-R98 PolarHBondContact O-N 2.99Å; R98-Q100 VanDerWaalsContact C-N 3.31Å; R98-Q100 PolarHBondContact O-N 3.33Å; R98-Q101 PolarHBondContact O-N 3.45Å; R98-E102 IonicContact CZ-OE1 3.57Å; R98-E102 IonicContact NE-OE1 2.72Å; R98-E102 PolarHBondContact NE-OE1 2.89Å; R98-E102 IonicContact NH2-OE1 3.64Å; R98-E102 WeakPolarHBondContact O-CG 3.45Å; R98-E102 PolarHBondContact O-N 3.31Å
99L90.6Very high89.2Confident86 Ų86117.9 Ų117.945%0.4554%0.538SS..Hα-helixtrans-65.2-35.7178.5-154.9107.7000111.8E95 E96 E102 R103E95-L99 WeakPolarHBondContact O-CB 3.28Å; E95-L99 PolarHBondContact O-N 3.38Å; E96-L99 PolarHBondContact O-N 3.33Å; L99-E102 PolarHBondContact O-N 3.21Å; L99-R103 WeakPolarHBondContact O-CG 3.24Å; L99-R103 PolarHBondContact O-N 2.93Å
100Q89.9Confident89Confident103 Ų103124.2 Ų124.248%0.48155%0.553SS.*Hα-helixtrans-62.7-46171.6-75.6177.27.700111.6E96 Q97 R98 E102 R103 L104E96-Q100 WeakPolarHBondContact O-CB 3.42Å; E96-Q100 VanDerWaalsContact O-CG 3.29Å; E96-Q100 WeakPolarHBondContact O-CG 3.47Å; E96-Q100 PolarHBondContact O-N 3.49Å; Q97-Q100 PolarHBondContact O-N 3.39Å; R98-Q100 VanDerWaalsContact C-N 3.31Å; R98-Q100 PolarHBondContact O-N 3.33Å; Q100-E102 PolarHBondContact O-N 3.1Å; Q100-R103 PolarHBondContact O-N 3.01Å; Q100-L104 WeakPolarHBondContact O-CG 3.49Å; Q100-L104 PolarHBondContact O-N 2.98Å
101Q89.6Confident88.6Confident109 Ų109124.5 Ų124.551%0.50955%0.55SS.*Hα-helixtrans-63.2-40.2176.4-71.5-178.81100112.5Q97 R98 L104 R105Q97-Q101 WeakPolarHBondContact O-CG 3.46Å; Q97-Q101 PolarHBondContact O-N 3.14Å; R98-Q101 PolarHBondContact O-N 3.45Å; Q101-L104 PolarHBondContact O-N 3.03Å; Q101-R105 WeakPolarHBondContact O-CG 3.4Å; Q101-R105 PolarHBondContact O-N 2.89Å
102E90.4Very high88.5Confident92 Ų92122 Ų12243%0.4355%0.545SS..Hα-helixtrans-62.3-44.6175.8-74.5174.5-165.600111.3R98 L99 Q100 L104 R105 E106R98-E102 IonicContact CZ-OE1 3.57Å; R98-E102 IonicContact NE-OE1 2.72Å; R98-E102 PolarHBondContact NE-OE1 2.89Å; R98-E102 IonicContact NH2-OE1 3.64Å; R98-E102 WeakPolarHBondContact O-CG 3.45Å; R98-E102 PolarHBondContact O-N 3.31Å; L99-E102 PolarHBondContact O-N 3.21Å; Q100-E102 PolarHBondContact O-N 3.1Å; E102-L104 PolarHBondContact O-N 2.92Å; E102-R105 PolarHBondContact O-N 3.14Å; E102-E106 PolarHBondContact O-N 3.45Å
103R90.4Very high88.2Confident128 Ų128124.1 Ų124.148%0.48355%0.548SS..Hα-helixtrans-61.3-40.9175.1-77.3-172.1-65.8-148.4-0.8113L99 Q100 E106 Q107L99-R103 WeakPolarHBondContact O-CG 3.24Å; L99-R103 PolarHBondContact O-N 2.93Å; Q100-R103 PolarHBondContact O-N 3.01Å; R103-E106 PolarHBondContact O-N 3.43Å; R103-Q107 WeakPolarHBondContact O-CG 3.32Å; R103-Q107 PolarHBondContact O-N 3.36Å
104L90.6Very high87.6Confident106 Ų106124.9 Ų124.956%0.55555%0.55SS*.Hα-helixtrans-62.8-45177-72171.5000111.1Q100 Q101 E102 E106 Q107 E108Q100-L104 WeakPolarHBondContact O-CG 3.49Å; Q100-L104 PolarHBondContact O-N 2.98Å; Q101-L104 PolarHBondContact O-N 3.03Å; E102-L104 PolarHBondContact O-N 2.92Å; L104-E106 VanDerWaalsContact C-N 3.35Å; L104-E106 PolarHBondContact O-N 3.33Å; L104-Q107 PolarHBondContact O-N 3.47Å; L104-E108 PolarHBondContact O-N 3.07Å
105R89.8Confident87Confident158 Ų158127.3 Ų127.360%0.59655%0.55SS**Hα-helixtrans-62-40.7176.1-71.8176.9-180179.82.1112.4Q101 E102 E108 Q109Q101-R105 WeakPolarHBondContact O-CG 3.4Å; Q101-R105 PolarHBondContact O-N 2.89Å; E102-R105 PolarHBondContact O-N 3.14Å; R105-E108 PolarHBondContact O-N 3.1Å; R105-Q109 WeakPolarHBondContact O-CG 3.37Å; R105-Q109 PolarHBondContact O-N 2.68Å
106E89.1Confident86.4Confident139 Ų139128.4 Ų128.465%0.6555%0.554SS**Hα-helixtrans-65.2-40.3177.3-167.8-179.3-175.500111.7E102 R103 L104 Q109 R110E102-E106 PolarHBondContact O-N 3.45Å; R103-E106 PolarHBondContact O-N 3.43Å; L104-E106 VanDerWaalsContact C-N 3.35Å; L104-E106 PolarHBondContact O-N 3.33Å; E106-Q109 PolarHBondContact O-N 3.36Å; E106-R110 WeakPolarHBondContact O-CB 3.46Å; E106-R110 PolarHBondContact O-N 2.96Å
107Q85.1Confident85.7Confident122 Ų122128.5 Ų128.557%0.5756%0.556SS**Hα-helixtrans-63.9-42.4174-74.3-175.423.800112.3R103 L104 R110 R111R103-Q107 WeakPolarHBondContact O-CG 3.32Å; R103-Q107 PolarHBondContact O-N 3.36Å; L104-Q107 PolarHBondContact O-N 3.47Å; Q107-R110 PolarHBondContact O-N 3.17Å; Q107-R111 WeakPolarHBondContact O-CG 3.28Å; Q107-R111 PolarHBondContact O-N 3.42Å
108E88.5Confident84.6Confident123 Ų123128.3 Ų128.358%0.57557%0.567SS**Hα-helixtrans-60.9-47.6175.1-75.2-176.3157.900111.6L104 R105 R110 R111 E112L104-E108 PolarHBondContact O-N 3.07Å; R105-E108 PolarHBondContact O-N 3.1Å; E108-R110 VanDerWaalsContact C-N 3.28Å; E108-R110 PolarHBondContact O-N 3.01Å; E108-R111 WeakPolarHBondContact O-CB 3.42Å; E108-R111 PolarHBondContact O-N 3.09Å; E108-R111 VanDerWaalsContact O-N 3.11Å; E108-E112 PolarHBondContact O-N 3.11Å
109Q85.9Confident83.1Confident103 Ų103126.1 Ų126.148%0.48158%0.575SS.*Hα-helixtrans-60.2-38.5175.3-71.3-177.322.100112.1R105 E106 E112 R113R105-Q109 WeakPolarHBondContact O-CG 3.37Å; R105-Q109 PolarHBondContact O-N 2.68Å; E106-Q109 PolarHBondContact O-N 3.36Å; Q109-E112 PolarHBondContact O-N 3.07Å; Q109-R113 WeakPolarHBondContact O-CB 3.44Å; Q109-R113 VanDerWaalsContact O-CG 3.28Å; Q109-R113 WeakPolarHBondContact O-CG 3.33Å; Q109-R113 PolarHBondContact O-N 3.22Å
110R84.3Confident81.2Confident172 Ų172128.4 Ų128.465%0.64959%0.587SS**Hα-helixtrans-66-39.7175.7-168.5176.2179.8-168.5-1111.5E106 Q107 E108 R113 K114E106-R110 WeakPolarHBondContact O-CB 3.46Å; E106-R110 PolarHBondContact O-N 2.96Å; Q107-R110 PolarHBondContact O-N 3.17Å; E108-R110 VanDerWaalsContact C-N 3.28Å; E108-R110 PolarHBondContact O-N 3.01Å; R110-R113 PolarHBondContact O-N 3.4Å; R110-K114 WeakPolarHBondContact O-CG 3.29Å; R110-K114 PolarHBondContact O-N 3.03Å
111R84.3Confident79Confident158 Ų158128.9 Ų128.960%0.59660%0.602SS**Hα-helixtrans-65.1-42.8174.3-72.6176.476.5-174.76.2111.5Q107 E108 K114 R115Q107-R111 WeakPolarHBondContact O-CG 3.28Å; Q107-R111 PolarHBondContact O-N 3.42Å; E108-R111 WeakPolarHBondContact O-CB 3.42Å; E108-R111 PolarHBondContact O-N 3.09Å; E108-R111 VanDerWaalsContact O-N 3.11Å; R111-K114 PolarHBondContact O-N 3.45Å; R111-R115 WeakPolarHBondContact O-CG 3.25Å; R111-R115 PolarHBondContact O-N 3.01Å
112E85Confident76.9Confident108 Ų108134 Ų13451%0.50562%0.623SS.*Hα-helixtrans-64.2-41.6175.7-73.8-169.9171.300112.6E108 Q109 K114 R115 K116E108-E112 PolarHBondContact O-N 3.11Å; Q109-E112 PolarHBondContact O-N 3.07Å; E112-K114 VanDerWaalsContact C-N 3.35Å; E112-R115 PolarHBondContact O-N 3.09Å; E112-K116 WeakPolarHBondContact O-CB 3.37Å; E112-K116 WeakPolarHBondContact O-CG 3.3Å; E112-K116 PolarHBondContact O-N 3.45Å
113R80.5Confident74.8Confident163 Ų163134.1 Ų134.162%0.61564%0.639SS**Hα-helixtrans-59.9-45.5173.5-74.4175.8-171.9-171.65.4111Q109 R110 R115 K116 I117Q109-R113 WeakPolarHBondContact O-CB 3.44Å; Q109-R113 VanDerWaalsContact O-CG 3.28Å; Q109-R113 WeakPolarHBondContact O-CG 3.33Å; Q109-R113 PolarHBondContact O-N 3.22Å; R110-R113 PolarHBondContact O-N 3.4Å; R113-R115 PolarHBondContact O-N 3.24Å; R113-K116 PolarHBondContact O-N 3.16Å; R113-I117 WeakPolarHBondContact O-CB 3.45Å; R113-I117 WeakPolarHBondContact O-CD1 3.29Å; R113-I117 WeakPolarHBondContact O-CG1 3.3Å; R113-I117 PolarHBondContact O-N 2.72Å
114K76.8Confident72.4Confident132 Ų132136.3 Ų136.357%0.57466%0.66SS**Hα-helixtrans-60.1-43.1175-75.1-175.7176.2-165.80112.2R110 R111 E112 I117 S118R110-K114 WeakPolarHBondContact O-CG 3.29Å; R110-K114 PolarHBondContact O-N 3.03Å; R111-K114 PolarHBondContact O-N 3.45Å; E112-K114 VanDerWaalsContact C-N 3.35Å; K114-I117 PolarHBondContact O-N 2.96Å; K114-S118 VanDerWaalsContact O-CB 3.3Å; K114-S118 WeakPolarHBondContact O-CB 3.37Å; K114-S118 PolarHBondContact O-N 3.46Å
115R79.4Confident70.2Confident169 Ų169136.9 Ų136.964%0.63866%0.663SS**Hα-helixtrans-63.5-42.8175.5-74.6178174.5-176.5-2.9112.5R111 E112 R113 S118 C119R111-R115 WeakPolarHBondContact O-CG 3.25Å; R111-R115 PolarHBondContact O-N 3.01Å; E112-R115 PolarHBondContact O-N 3.09Å; R113-R115 PolarHBondContact O-N 3.24Å; R115-S118 PolarHBondContact O-N 2.91Å; R115-C119 PolarHBondContact O-N 3.41Å
116K76.7Confident67.9Low141 Ų141137.1 Ų137.161%0.61368%0.677SS**Hα-helixtrans-64.6-39.4175.7-75.9172.4-180169.30112.2E112 R113 C119 L120E112-K116 WeakPolarHBondContact O-CB 3.37Å; E112-K116 WeakPolarHBondContact O-CG 3.3Å; E112-K116 PolarHBondContact O-N 3.45Å; R113-K116 PolarHBondContact O-N 3.16Å; K116-C119 PolarHBondContact O-N 3.31Å; K116-L120 PolarHBondContact O-N 3.31Å
117I72.3Confident65.7Low120 Ų120136.7 Ų136.762%0.61568%0.678SS**Hα-helixtrans-65.9-41.9174.1-67.4162000110.4R113 K114 C119 L120R113-I117 WeakPolarHBondContact O-CB 3.45Å; R113-I117 WeakPolarHBondContact O-CD1 3.29Å; R113-I117 WeakPolarHBondContact O-CG1 3.3Å; R113-I117 PolarHBondContact O-N 2.72Å; K114-I117 PolarHBondContact O-N 2.96Å; I117-C119 VanDerWaalsContact C-N 3.3Å; I117-C119 PolarHBondContact O-N 3.48Å; I117-L120 PolarHBondContact O-N 3.21Å; I117-L120 VanDerWaalsContact O-N 3.17Å
118S66.8Low63.2Low104 Ų104137.5 Ų137.573%0.72769%0.686SS**Hα-helixtrans-65.6-27.8175.91720000113.6K114 R115 L120K114-S118 VanDerWaalsContact O-CB 3.3Å; K114-S118 WeakPolarHBondContact O-CB 3.37Å; K114-S118 PolarHBondContact O-N 3.46Å; R115-S118 PolarHBondContact O-N 2.91Å; S118-L120 VanDerWaalsContact C-N 3.32Å
119C59Low60.9Low113 Ų113139.4 Ų139.476%0.76470%0.7SS**THydrogen-bonded Turntrans-78.5-8.8173.6-100.10000114.4R115 K116 I117R115-C119 PolarHBondContact O-N 3.41Å; K116-C119 PolarHBondContact O-N 3.31Å; I117-C119 VanDerWaalsContact C-N 3.3Å; I117-C119 PolarHBondContact O-N 3.48Å
120L51.2Low58.3Low134 Ų134141.8 Ų141.870%0.70271%0.711SS**SBendtrans-94109.5173.4-66.9171.2000108.2K116 I117 S118 F122K116-L120 PolarHBondContact O-N 3.31Å; I117-L120 PolarHBondContact O-N 3.21Å; I117-L120 VanDerWaalsContact O-N 3.17Å; S118-L120 VanDerWaalsContact C-N 3.32Å; L120-F122 VanDerWaalsContact C-N 3.28Å; L120-F122 PolarHBondContact O-N 3.17Å
121S43.8Very low56.1Low113 Ų113137.9 Ų137.979%0.7972%0.716SS**SBendtrans-69.265.9-169.660.80000114.6
122F46.1Very low53.6Low216 Ų216137.3 Ų137.395%0.94773%0.725SS**  trans-154.158.9164.3-109.6-81.2000110.7L120L120-F122 VanDerWaalsContact C-N 3.28Å; L120-F122 PolarHBondContact O-N 3.17Å
123A45.5Very low51.3Low94 Ų94136.9 Ų136.978%0.77774%0.74SS**SBendtrans-152113.5154.700000106.8
124L39.8Very low49Very low174 Ų174132.5 Ų132.591%0.91174%0.738SS**  trans-56.5135.5178.6-14388.4000109.5D126L124-D126 PolarHBondContact O-N 2.82Å
125D44.9Very low47.1Very low119 Ų119132.6 Ų132.664%0.63674%0.741SS**  trans-47.5119.4162.2-166.127.6000110.8L127D125-L127 WeakPolarHBondContact OD1-CG 3.39Å
126D41.4Very low45.1Very low163 Ų163129.6 Ų129.687%0.87275%0.752SS**  trans-149.596.1138.5-114-15000107.3L124L124-D126 PolarHBondContact O-N 2.82Å
127L41.5Very low43.5Very low129 Ų129132.4 Ų132.468%0.67576%0.759SS**  trans-59.8123.5166.6-69.6160.1000109.5D125D125-L127 WeakPolarHBondContact OD1-CG 3.39Å
128D33.3Very low42.2Very low140 Ų140134.3 Ų134.375%0.74976%0.759SS**  trans-144.979.9137.3-129.6-5.8000109.1Q130D128-Q130 PolarHBondContact O-N 3.08Å
129D39.9Very low41.3Very low162 Ų162134 Ų13487%0.86676%0.762SS**  trans-71.775.5154.5-95.2-39.6000107.1
130Q32.1Very low41.1Very low153 Ų153131.1 Ų131.172%0.71575%0.752SS**  trans-90.4110.4159.3-152.3154.952.600107.5D128 D132D128-Q130 PolarHBondContact O-N 3.08Å; Q130-D132 VanDerWaalsContact C-N 3.31Å; Q130-D132 PolarHBondContact O-N 2.85Å
131A37.1Very low41.4Very low91 Ų91130.1 Ų130.175%0.75275%0.747SS**  trans-59.386.8179.700000111.5A133A131-A133 PolarHBondContact O-N 3.14Å
132D33.5Very low41.6Very low145 Ų145133.1 Ų133.178%0.77575%0.753SS**  trans-79.270156.6-76.5-35.5000108.9Q130 A134Q130-D132 VanDerWaalsContact C-N 3.31Å; Q130-D132 PolarHBondContact O-N 2.85Å; D132-A134 HydrophobicContact CB-CB 4.38Å; D132-A134 PolarHBondContact O-N 3.39Å; D132-A134 VanDerWaalsContact O-N 3.17Å
133A35.5Very low42.3Very low99 Ų99126.8 Ų126.882%0.81875%0.749SS**  trans-73.638.1145.500000109.9A131 E135A131-A133 PolarHBondContact O-N 3.14Å; A133-E135 PolarHBondContact O-N 2.84Å
134A32.1Very low43.2Very low71 Ų71128.9 Ų128.959%0.58774%0.741SS**  trans-79107.1168.400000106.5D132 A136D132-A134 HydrophobicContact CB-CB 4.38Å; D132-A134 PolarHBondContact O-N 3.39Å; D132-A134 VanDerWaalsContact O-N 3.17Å; A134-A136 PolarHBondContact O-N 3.28Å
135E37.6Very low44.3Very low135 Ų135126.6 Ų126.663%0.63173%0.729SS**  trans18.6107.7156-65.3178144.200114.2A133 R137A133-E135 PolarHBondContact O-N 2.84Å; E135-R137 HydrophobicContact CB-CG 3.74Å; E135-R137 PolarHBondContact O-N 2.89Å; E135-R137 IonicContact OE2-CZ 2.65Å; E135-R137 IonicContact OE2-NE 2.63Å; E135-R137 PolarHBondContact OE2-NE 3.39Å; E135-R137 IonicContact OE2-NH2 3.14Å; E135-R137 PolarHBondContact OE2-NH2 3.13Å
136A37.3Very low45.5Very low106 Ų106127.1 Ų127.188%0.87674%0.739SS**  trans-58.774.4143.200000107.4A134 R138A134-A136 PolarHBondContact O-N 3.28Å; A136-R138 VanDerWaalsContact C-N 3.33Å; A136-R138 PolarHBondContact O-N 2.77Å
137R42.7Very low47Very low199 Ų199127.1 Ų127.175%0.75174%0.739SS**  trans-52.9111.3160-68.4-172.6172.6-178.4-4.3102.4E135 A139E135-R137 HydrophobicContact CB-CG 3.74Å; E135-R137 PolarHBondContact O-N 2.89Å; E135-R137 IonicContact OE2-CZ 2.65Å; E135-R137 IonicContact OE2-NE 2.63Å; E135-R137 PolarHBondContact OE2-NE 3.39Å; E135-R137 IonicContact OE2-NH2 3.14Å; E135-R137 PolarHBondContact OE2-NH2 3.13Å; R137-A139 PolarHBondContact O-N 3.28Å
138R45.5Very low48.7Very low161 Ų161125.5 Ų125.561%0.60873%0.734SS**  trans-35.6122.4162.7-67.2179.5178-169.7-3104.8A136 G140 D157A136-R138 VanDerWaalsContact C-N 3.33Å; A136-R138 PolarHBondContact O-N 2.77Å; R138-G140 PolarHBondContact O-N 3.1Å; R138-D157 IonicContact CZ-OD1 3.66Å; R138-D157 IonicContact NH1-OD1 3.29Å; R138-D157 PolarHBondContact NH1-OD1 3.48Å; R138-D157 IonicContact NH1-OD2 2.75Å; R138-D157 PolarHBondContact NH1-OD2 3.28Å; R138-D157 IonicContact NH2-OD1 3.97Å
139A47.9Very low50.5Low96 Ų96124.8 Ų124.879%0.79373%0.731SS**  trans-58.985.5177.700000106.9R137 N141R137-A139 PolarHBondContact O-N 3.28Å; A139-N141 PolarHBondContact O-N 3.23Å
140G54.1Low52Low54 Ų54119.6 Ų119.656%0.55771%0.705SS**  trans-76.797.1-172.200000104.9R138 L142R138-G140 PolarHBondContact O-N 3.1Å; G140-L142 PolarHBondContact O-N 3.39Å
141N57.8Low53.8Low112 Ų112115.8 Ų115.860%0.59970%0.695SS**  trans14.662164.3-68.1-12.8000114.7A139 G143 K144A139-N141 PolarHBondContact O-N 3.23Å; N141-G143 PolarHBondContact O-N 3Å; N141-G143 VanDerWaalsContact O-N 3.09Å; N141-K144 HydrophobicContact CB-CD 4.25Å
142L47.9Very low55.3Low176 Ų176120.7 Ų120.792%0.92170%0.7SS**THydrogen-bonded Turntrans-70.1109.8176.3-84.6140.8000106.7G140G140-L142 PolarHBondContact O-N 3.39Å
143G60.4Low57.4Low83 Ų83118.7 Ų118.786%0.85669%0.688SS**THydrogen-bonded Turntrans112.17.4175.600000116.7N141N141-G143 PolarHBondContact O-N 3Å; N141-G143 VanDerWaalsContact O-N 3.09Å
144K64.8Low59Low139 Ų139119.6 Ų119.660%0.60469%0.686SS**  trans-101.2130.1170.1-63.4-176.1-176.8175.40109.9N141N141-K144 HydrophobicContact CB-CD 4.25Å
145N64.1Low61.1Low126 Ų126119 Ų11967%0.67467%0.673SS**  trans-61.4131.5175.5-79.4-16.8000110D147 V148N145-D147 PolarHBondContact O-N 3.37Å; N145-V148 HydrophobicContact CB-CG2 4.01Å; N145-V148 PolarHBondContact O-N 3.26Å
146P68.4Low63Low130 Ų130120.2 Ų120.284%0.84467%0.672SS**THydrogen-bonded Turntrans-69.6-16.2-176.126.7-34000114.3
147D74.5Confident65Low163 Ų163118 Ų11887%0.87265%0.645SS**THydrogen-bonded Turntrans-88.7-3.5178.9-86.5-18.2000114.3N145 D149N145-D147 PolarHBondContact O-N 3.37Å; D147-D149 PolarHBondContact O-N 2.96Å
148V75.8Confident66.8Low94 Ų94112.8 Ų112.857%0.5763%0.625SS**SBendtrans-79118.5177.3175.30000108.7N145 T150N145-V148 HydrophobicContact CB-CG2 4.01Å; N145-V148 PolarHBondContact O-N 3.26Å; V148-T150 WeakPolarHBondContact O-CG2 3.37Å; V148-T150 PolarHBondContact O-N 3.43Å; V148-T150 VanDerWaalsContact O-N 3.07Å
149D70.7Confident68.5Low126 Ų126110 Ų11067%0.67462%0.619SS**  trans-60.4110.7177.7-177.614.7000111.3D147 S151D147-D149 PolarHBondContact O-N 2.96Å; D149-S151 WeakPolarHBondContact OD1-CB 3.47Å; D149-S151 PolarHBondContact OD1-N 2.86Å; D149-S151 PolarHBondContact OD1-OG 2.89Å; D149-S151 PolarHBondContact OD2-OG 3.11Å
150T72.4Confident70.2Confident52 Ų52109 Ų10932%0.31960%0.598SS.*  trans-99.914176.261.40000112.5V148 F152 L153 R158V148-T150 WeakPolarHBondContact O-CG2 3.37Å; V148-T150 PolarHBondContact O-N 3.43Å; V148-T150 VanDerWaalsContact O-N 3.07Å; T150-F152 PolarHBondContact O-N 3.48Å; T150-F152 VanDerWaalsContact O-N 3.14Å; T150-L153 PolarHBondContact O-N 3.01Å; T150-L153 VanDerWaalsContact O-N 3.12Å; T150-R158 PolarHBondContact O-NH1 3.31Å; T150-R158 PolarHBondContact OG1-NH2 2.89Å
151S70.1Confident71.6Confident73 Ų73112 Ų11251%0.5160%0.597SS.*THydrogen-bonded Turntrans-54-29.5179.663.20000114D149D149-S151 WeakPolarHBondContact OD1-CB 3.47Å; D149-S151 PolarHBondContact OD1-N 2.86Å; D149-S151 PolarHBondContact OD1-OG 2.89Å; D149-S151 PolarHBondContact OD2-OG 3.11Å
152F69.1Low72.9Confident195 Ų195111 Ų11186%0.85559%0.589SS**THydrogen-bonded Turntrans-82.6-14.8-178.4-172.4-105.6000114.6T150T150-F152 PolarHBondContact O-N 3.48Å; T150-F152 VanDerWaalsContact O-N 3.14Å
153L76.3Confident74.8Confident103 Ų103106.1 Ų106.154%0.53956%0.564SS.*SBendtrans-86.4134.9177.4-74.8163.7000109.8T150 D155T150-L153 PolarHBondContact O-N 3.01Å; T150-L153 VanDerWaalsContact O-N 3.12Å; L153-D155 PolarHBondContact O-N 3.26Å
154P69.8Low76.3Confident117 Ų117108.4 Ų108.476%0.7655%0.547SS*.  trans-56.6110.6168-22.833.2000109.4
155D76.6Confident77.6Confident58 Ų58106.5 Ų106.531%0.3154%0.543SS..  trans-121.3108.2-176.4-171.9-16.4000108.1L153 D157 R158 E159L153-D155 PolarHBondContact O-N 3.26Å; D155-D157 PolarHBondContact O-N 3.33Å; D155-D157 PolarHBondContact OD1-N 2.93Å; D155-D157 VanDerWaalsContact OD1-N 3.12Å; D155-R158 HydrophobicContact CB-CB 3.89Å; D155-R158 PolarHBondContact O-N 2.91Å; D155-E159 WeakPolarHBondContact O-CG 3.42Å; D155-E159 PolarHBondContact O-N 3.31Å
156R76.4Confident78.9Confident162 Ų162106.9 Ų106.961%0.61154%0.535SS*.Hα-helixtrans-60.1-36.5-176.3-168.8-177.3691672.1111.7E160R156-E160 WeakPolarHBondContact CG-OE1 3.34Å; R156-E160 IonicContact NE-OE1 3.81Å; R156-E160 WeakPolarHBondContact O-CB 3.47Å; R156-E160 WeakPolarHBondContact O-CG 3.42Å; R156-E160 PolarHBondContact O-N 2.86Å
157D80.2Confident80Confident59 Ų59106.1 Ų106.132%0.31652%0.52SS..Hα-helixtrans-72.4-35.6-178.9-68.1-26.5000110.6R138 D155 E160 E161R138-D157 IonicContact CZ-OD1 3.66Å; R138-D157 IonicContact NH1-OD1 3.29Å; R138-D157 PolarHBondContact NH1-OD1 3.48Å; R138-D157 IonicContact NH1-OD2 2.75Å; R138-D157 PolarHBondContact NH1-OD2 3.28Å; R138-D157 IonicContact NH2-OD1 3.97Å; D155-D157 PolarHBondContact O-N 3.33Å; D155-D157 PolarHBondContact OD1-N 2.93Å; D155-D157 VanDerWaalsContact OD1-N 3.12Å; D157-E160 PolarHBondContact O-N 3.41Å; D157-E161 WeakPolarHBondContact O-CG 3.26Å; D157-E161 PolarHBondContact O-N 3.4Å
158R80.3Confident81Confident90 Ų90103.4 Ų103.434%0.3450%0.502SS..Hα-helixtrans-70-41.9174.2-171.2-177-69.4137-4.7112.5T150 D155 E160 E161 E162T150-R158 PolarHBondContact O-NH1 3.31Å; T150-R158 PolarHBondContact OG1-NH2 2.89Å; D155-R158 HydrophobicContact CB-CB 3.89Å; D155-R158 PolarHBondContact O-N 2.91Å; R158-E160 VanDerWaalsContact C-N 3.31Å; R158-E161 PolarHBondContact O-N 2.95Å; R158-E162 WeakPolarHBondContact O-CB 3.46Å; R158-E162 PolarHBondContact O-N 3.37Å
159E80.9Confident81.8Confident101 Ų101103.5 Ų103.547%0.47250%0.499SS..Hα-helixtrans-64.1-38174.4-73.1177.1-164.200111.2D155 E162 N163D155-E159 WeakPolarHBondContact O-CG 3.42Å; D155-E159 PolarHBondContact O-N 3.31Å; E159-E162 PolarHBondContact O-N 3.5Å; E159-N163 VanDerWaalsContact O-CB 3.28Å; E159-N163 WeakPolarHBondContact O-CB 3.41Å; E159-N163 PolarHBondContact O-N 2.93Å; E159-N163 PolarHBondContact O-ND2 2.91Å; E159-N163 VanDerWaalsContact O-ND2 3.08Å
160E83.1Confident82.9Confident77 Ų77105.9 Ų105.936%0.3650%0.498SS..Hα-helixtrans-63.7-41.6172.4-77.7173.5-160.100111.6R156 D157 R158 N163 R164R156-E160 WeakPolarHBondContact CG-OE1 3.34Å; R156-E160 IonicContact NE-OE1 3.81Å; R156-E160 WeakPolarHBondContact O-CB 3.47Å; R156-E160 WeakPolarHBondContact O-CG 3.42Å; R156-E160 PolarHBondContact O-N 2.86Å; D157-E160 PolarHBondContact O-N 3.41Å; R158-E160 VanDerWaalsContact C-N 3.31Å; E160-N163 PolarHBondContact O-N 2.97Å; E160-R164 WeakPolarHBondContact O-CB 3.32Å; E160-R164 VanDerWaalsContact O-CG 3.29Å; E160-R164 WeakPolarHBondContact O-CG 3.47Å; E160-R164 PolarHBondContact O-N 3.42Å
161E84.9Confident83.9Confident115 Ų115109.4 Ų109.454%0.53751%0.511SS..Hα-helixtrans-63.5-44.6173.1-76.9175.6-17800112.9D157 R158 N163 R164 L165D157-E161 WeakPolarHBondContact O-CG 3.26Å; D157-E161 PolarHBondContact O-N 3.4Å; R158-E161 PolarHBondContact O-N 2.95Å; E161-N163 VanDerWaalsContact C-N 3.32Å; E161-N163 PolarHBondContact O-N 3.3Å; E161-R164 PolarHBondContact O-N 2.86Å; E161-R164 IonicContact OE1-NH2 3.75Å; E161-L165 WeakPolarHBondContact O-CB 3.39Å; E161-L165 PolarHBondContact O-N 3.17Å
162E85.1Confident85.1Confident92 Ų92111.2 Ų111.243%0.4351%0.512SS..Hα-helixtrans-64.1-40.1176.8-166.6-174.7166.600111.2R158 E159 L165 R166R158-E162 WeakPolarHBondContact O-CB 3.46Å; R158-E162 PolarHBondContact O-N 3.37Å; E159-E162 PolarHBondContact O-N 3.5Å; E162-L165 PolarHBondContact O-N 2.88Å; E162-R166 WeakPolarHBondContact O-CB 3.46Å; E162-R166 WeakPolarHBondContact O-CD 3.5Å; E162-R166 WeakPolarHBondContact O-CG 3.48Å; E162-R166 PolarHBondContact O-N 3.41Å; E162-R166 IonicContact OE1-CZ 3.73Å; E162-R166 IonicContact OE1-NE 2.64Å; E162-R166 PolarHBondContact OE1-NE 3.34Å; E162-R166 VanDerWaalsContact OE1-NE 3.11Å; E162-R166 IonicContact OE1-NH2 3.86Å; E162-R166 PolarHBondContact OE1-NH2 3.02Å
163N86.4Confident86.1Confident74 Ų74109.8 Ų109.840%0.39650%0.501SS..Hα-helixtrans-65.9-42.2175.7-73.5-29.2000111.7E159 E160 E161 R166 E167E159-N163 VanDerWaalsContact O-CB 3.28Å; E159-N163 WeakPolarHBondContact O-CB 3.41Å; E159-N163 PolarHBondContact O-N 2.93Å; E159-N163 PolarHBondContact O-ND2 2.91Å; E159-N163 VanDerWaalsContact O-ND2 3.08Å; E160-N163 PolarHBondContact O-N 2.97Å; E161-N163 VanDerWaalsContact C-N 3.32Å; E161-N163 PolarHBondContact O-N 3.3Å; N163-R166 PolarHBondContact O-N 3.36Å; N163-E167 WeakPolarHBondContact O-CB 3.4Å; N163-E167 WeakPolarHBondContact O-CG 3.38Å; N163-E167 PolarHBondContact O-N 3.49Å
164R92.8Very high86.8Confident130 Ų130111 Ų11149%0.49150%0.503SS..Hα-helixtrans-58.7-48.5173.1-76.7-174.4-67.5-1533.2111.3E160 E161 R166 E167 E168E160-R164 WeakPolarHBondContact O-CB 3.32Å; E160-R164 VanDerWaalsContact O-CG 3.29Å; E160-R164 WeakPolarHBondContact O-CG 3.47Å; E160-R164 PolarHBondContact O-N 3.42Å; E161-R164 PolarHBondContact O-N 2.86Å; E161-R164 IonicContact OE1-NH2 3.75Å; R164-R166 VanDerWaalsContact C-N 3.32Å; R164-R166 PolarHBondContact O-N 3.44Å; R164-E167 PolarHBondContact O-N 2.92Å; R164-E167 VanDerWaalsContact O-N 3.14Å; R164-E168 WeakPolarHBondContact O-CG 3.38Å; R164-E168 PolarHBondContact O-N 3.45Å
165L91.1Very high87.9Confident99 Ų99107.3 Ų107.352%0.51848%0.483SS..Hα-helixtrans-62.1-40.1177.9-166.379.4000111.8E161 E162 E167 E168 L169E161-L165 WeakPolarHBondContact O-CB 3.39Å; E161-L165 PolarHBondContact O-N 3.17Å; E162-L165 PolarHBondContact O-N 2.88Å; L165-E167 VanDerWaalsContact C-N 3.34Å; L165-E168 PolarHBondContact O-N 2.97Å; L165-L169 HydrophobicContact CG-CD1 4.27Å; L165-L169 WeakPolarHBondContact O-CB 3.36Å; L165-L169 VanDerWaalsContact O-CG 3.28Å; L165-L169 WeakPolarHBondContact O-CG 3.46Å; L165-L169 PolarHBondContact O-N 3.19Å
166R91.9Very high88.5Confident135 Ų135109.8 Ų109.851%0.50949%0.493SS..Hα-helixtrans-64.5-37.4174.9-75.9168.6176.1-163.30112.1E162 N163 R164 R170E162-R166 WeakPolarHBondContact O-CB 3.46Å; E162-R166 WeakPolarHBondContact O-CD 3.5Å; E162-R166 WeakPolarHBondContact O-CG 3.48Å; E162-R166 PolarHBondContact O-N 3.41Å; E162-R166 IonicContact OE1-CZ 3.73Å; E162-R166 IonicContact OE1-NE 2.64Å; E162-R166 PolarHBondContact OE1-NE 3.34Å; E162-R166 VanDerWaalsContact OE1-NE 3.11Å; E162-R166 IonicContact OE1-NH2 3.86Å; E162-R166 PolarHBondContact OE1-NH2 3.02Å; N163-R166 PolarHBondContact O-N 3.36Å; R164-R166 VanDerWaalsContact C-N 3.32Å; R164-R166 PolarHBondContact O-N 3.44Å; R166-R170 VanDerWaalsContact O-CB 3.3Å; R166-R170 WeakPolarHBondContact O-CB 3.35Å; R166-R170 PolarHBondContact O-N 3.36Å; R166-R170 VanDerWaalsContact O-N 3.08Å
167E90.9Very high89.1Confident114 Ų114106.6 Ų106.653%0.53348%0.481SS..Hα-helixtrans-70.1-43.8175.9-75.7177.7-173.200111.5N163 R164 L165 R170 Q171N163-E167 WeakPolarHBondContact O-CB 3.4Å; N163-E167 WeakPolarHBondContact O-CG 3.38Å; N163-E167 PolarHBondContact O-N 3.49Å; R164-E167 PolarHBondContact O-N 2.92Å; R164-E167 VanDerWaalsContact O-N 3.14Å; L165-E167 VanDerWaalsContact C-N 3.34Å; E167-R170 WeakPolarHBondContact O-CB 3.39Å; E167-R170 PolarHBondContact O-N 3.02Å; E167-Q171 WeakPolarHBondContact O-CG 3.45Å; E167-Q171 PolarHBondContact O-N 3.03Å
168E95.4Very high89.6Confident105 Ų105109.6 Ų109.649%0.49149%0.493SS..Hα-helixtrans-58.9-51.9174.4-73.7173.1179.800111R164 L165 R170 Q171 E172R164-E168 WeakPolarHBondContact O-CG 3.38Å; R164-E168 PolarHBondContact O-N 3.45Å; L165-E168 PolarHBondContact O-N 2.97Å; E168-R170 PolarHBondContact O-N 3.05Å; E168-Q171 PolarHBondContact O-N 3.45Å; E168-Q171 VanDerWaalsContact O-N 3.07Å; E168-E172 WeakPolarHBondContact O-CG 3.48Å; E168-E172 PolarHBondContact O-N 2.98Å
169L93.8Very high90.1Very high97 Ų97112.5 Ų112.551%0.50851%0.508SS..Hα-helixtrans-59.7-35176.8-74169.6000112.4L165 W173L165-L169 HydrophobicContact CG-CD1 4.27Å; L165-L169 WeakPolarHBondContact O-CB 3.36Å; L165-L169 VanDerWaalsContact O-CG 3.28Å; L165-L169 WeakPolarHBondContact O-CG 3.46Å; L165-L169 PolarHBondContact O-N 3.19Å; L169-W173 WeakPolarHBondContact O-CB 3.21Å; L169-W173 PolarHBondContact O-N 3.26Å
170R93Very high90.4Very high175 Ų175110 Ų11066%0.6650%0.499SS*.Hα-helixtrans-66.8-43.9175.2-175.1-171.6-56.5-85.5-2.7111.2R166 E167 E168 W173 E174R166-R170 VanDerWaalsContact O-CB 3.3Å; R166-R170 WeakPolarHBondContact O-CB 3.35Å; R166-R170 PolarHBondContact O-N 3.36Å; R166-R170 VanDerWaalsContact O-N 3.08Å; E167-R170 WeakPolarHBondContact O-CB 3.39Å; E167-R170 PolarHBondContact O-N 3.02Å; E168-R170 PolarHBondContact O-N 3.05Å; R170-W173 PolarHBondContact O-N 3.43Å; R170-E174 WeakPolarHBondContact O-CB 3.45Å; R170-E174 PolarHBondContact O-N 3.02Å
171Q93.8Very high90.8Very high127 Ų127109.6 Ų109.659%0.59350%0.496SS*.Hα-helixtrans-66.2-43.8177.5-71.2176.427.500111.4E167 E168 W173 E174 A175E167-Q171 WeakPolarHBondContact O-CG 3.45Å; E167-Q171 PolarHBondContact O-N 3.03Å; E168-Q171 PolarHBondContact O-N 3.45Å; E168-Q171 VanDerWaalsContact O-N 3.07Å; Q171-W173 VanDerWaalsContact C-N 3.32Å; Q171-W173 PolarHBondContact O-N 2.84Å; Q171-E174 PolarHBondContact O-N 2.81Å; Q171-A175 VanDerWaalsContact O-CB 3.29Å; Q171-A175 WeakPolarHBondContact O-CB 3.43Å; Q171-A175 PolarHBondContact O-N 3.07Å
172E95.1Very high91Very high111 Ų111107.8 Ų107.852%0.51949%0.49SS..Hα-helixtrans-59.8-44.6174.9-72.9-177.6169.600111.2E168 A175 Q176E168-E172 WeakPolarHBondContact O-CG 3.48Å; E168-E172 PolarHBondContact O-N 2.98Å; E172-A175 PolarHBondContact O-N 2.95Å; E172-Q176 WeakPolarHBondContact O-CB 3.49Å; E172-Q176 VanDerWaalsContact O-CG 3.27Å; E172-Q176 WeakPolarHBondContact O-CG 3.28Å; E172-Q176 PolarHBondContact O-N 3.05Å
173W91.1Very high91.2Very high165 Ų165107.3 Ų107.363%0.62549%0.488SS*.Hα-helixtrans-62.4-43.9176-176.3-102.3000112.1L169 R170 Q171 Q176 R177L169-W173 WeakPolarHBondContact O-CB 3.21Å; L169-W173 PolarHBondContact O-N 3.26Å; R170-W173 PolarHBondContact O-N 3.43Å; Q171-W173 VanDerWaalsContact C-N 3.32Å; Q171-W173 PolarHBondContact O-N 2.84Å; W173-Q176 PolarHBondContact O-N 3.39Å; W173-R177 WeakPolarHBondContact O-CB 3.38Å; W173-R177 VanDerWaalsContact O-CG 3.28Å; W173-R177 WeakPolarHBondContact O-CG 3.27Å; W173-R177 PolarHBondContact O-N 3.18Å
174E90.8Very high91.3Very high127 Ų127109.2 Ų109.259%0.59350%0.495SS*.Hα-helixtrans-64.3-44.4177-174.5162-149.600111.9R170 Q171 Q176 R177 E178R170-E174 WeakPolarHBondContact O-CB 3.45Å; R170-E174 PolarHBondContact O-N 3.02Å; Q171-E174 PolarHBondContact O-N 2.81Å; E174-Q176 PolarHBondContact O-N 3.36Å; E174-R177 WeakPolarHBondContact O-CB 3.26Å; E174-R177 PolarHBondContact O-N 3.17Å; E174-E178 WeakPolarHBondContact O-CB 3.42Å; E174-E178 PolarHBondContact O-N 3.03Å
175A92.4Very high90.8Very high40 Ų40104.4 Ų104.433%0.33148%0.478SS..Hα-helixtrans-63.5-40.2176.300000112Q171 E172 E178 K179Q171-A175 VanDerWaalsContact O-CB 3.29Å; Q171-A175 WeakPolarHBondContact O-CB 3.43Å; Q171-A175 PolarHBondContact O-N 3.07Å; E172-A175 PolarHBondContact O-N 2.95Å; A175-E178 PolarHBondContact O-N 3.25Å; A175-K179 VanDerWaalsContact O-CG 3.29Å; A175-K179 WeakPolarHBondContact O-CG 3.34Å; A175-K179 PolarHBondContact O-N 2.99Å
176Q89.6Confident90.6Very high111 Ų111105.6 Ų105.652%0.51948%0.481SS..Hα-helixtrans-63.9-43.6173.4-75.8-179.27.500111.3E172 W173 E174 E178 K179 V180E172-Q176 WeakPolarHBondContact O-CB 3.49Å; E172-Q176 VanDerWaalsContact O-CG 3.27Å; E172-Q176 WeakPolarHBondContact O-CG 3.28Å; E172-Q176 PolarHBondContact O-N 3.05Å; W173-Q176 PolarHBondContact O-N 3.39Å; E174-Q176 PolarHBondContact O-N 3.36Å; Q176-E178 VanDerWaalsContact C-N 3.32Å; Q176-E178 PolarHBondContact O-N 2.86Å; Q176-K179 PolarHBondContact O-N 3.1Å; Q176-V180 WeakPolarHBondContact O-CG2 3.38Å; Q176-V180 PolarHBondContact O-N 3.04Å
177R88.8Confident90.2Very high95 Ų9599.5 Ų99.536%0.35846%0.459SS..Hα-helixtrans-60.9-41.8175.1-74-177.170.6-164.98.1111.9W173 E174 V180 K181W173-R177 WeakPolarHBondContact O-CB 3.38Å; W173-R177 VanDerWaalsContact O-CG 3.28Å; W173-R177 WeakPolarHBondContact O-CG 3.27Å; W173-R177 PolarHBondContact O-N 3.18Å; E174-R177 WeakPolarHBondContact O-CB 3.26Å; E174-R177 PolarHBondContact O-N 3.17Å; R177-V180 PolarHBondContact O-N 3.04Å; R177-K181 WeakPolarHBondContact O-CB 3.44Å; R177-K181 VanDerWaalsContact O-CG 3.25Å; R177-K181 WeakPolarHBondContact O-CG 3.4Å; R177-K181 PolarHBondContact O-N 3.05Å
178E89.9Confident90Very high122 Ų12297 Ų9757%0.5745%0.451SS*.Hα-helixtrans-65.6-44.4178.8-170.8172.2-151.900111.4E174 A175 Q176 V180 K181 D182E174-E178 WeakPolarHBondContact O-CB 3.42Å; E174-E178 PolarHBondContact O-N 3.03Å; A175-E178 PolarHBondContact O-N 3.25Å; Q176-E178 VanDerWaalsContact C-N 3.32Å; Q176-E178 PolarHBondContact O-N 2.86Å; E178-V180 PolarHBondContact O-N 3.47Å; E178-K181 WeakPolarHBondContact O-CB 3.29Å; E178-K181 PolarHBondContact O-N 3.45Å; E178-K181 VanDerWaalsContact O-N 3.12Å; E178-D182 PolarHBondContact O-N 2.91Å
179K90.9Very high89.7Confident151 Ų15192 Ų9266%0.65743%0.428SS*.Hα-helixtrans-54.8-49.7173.6-74.9173.3-177.2178.70112.1A175 Q176 K181 D182 E183A175-K179 VanDerWaalsContact O-CG 3.29Å; A175-K179 WeakPolarHBondContact O-CG 3.34Å; A175-K179 PolarHBondContact O-N 2.99Å; Q176-K179 PolarHBondContact O-N 3.1Å; K179-K181 VanDerWaalsContact C-N 3.29Å; K179-K181 PolarHBondContact O-N 3.27Å; K179-D182 PolarHBondContact O-N 3.45Å; K179-E183 PolarHBondContact O-N 3.01Å
180V88.4Confident89.5Confident47 Ų4787.9 Ų87.929%0.28541%0.407SS..Hα-helixtrans-66.9-31.9179.5179.50000111.8Q176 R177 E178 K205 Y251Q176-V180 WeakPolarHBondContact O-CG2 3.38Å; Q176-V180 PolarHBondContact O-N 3.04Å; R177-V180 PolarHBondContact O-N 3.04Å; E178-V180 PolarHBondContact O-N 3.47Å; V180-K205 WeakPolarHBondContact O-CB 3.46Å; V180-K205 WeakPolarHBondContact O-CD 3.5Å; V180-Y251 HydrophobicContact CB-CD2 4.43Å; V180-Y251 HydrophobicContact CB-CE2 3.95Å; V180-Y251 HydrophobicContact CG1-CD2 3.84Å; V180-Y251 HydrophobicContact CG1-CE2 3.6Å
181K89.6Confident89.2Confident69 Ų6979.8 Ų79.830%0.338%0.377SS..Hα-helixtrans-70.1-35.3174.2-78.2175.3-179.6-176.40112.3R177 E178 K179 K205 G206 Y251R177-K181 WeakPolarHBondContact O-CB 3.44Å; R177-K181 VanDerWaalsContact O-CG 3.25Å; R177-K181 WeakPolarHBondContact O-CG 3.4Å; R177-K181 PolarHBondContact O-N 3.05Å; E178-K181 WeakPolarHBondContact O-CB 3.29Å; E178-K181 PolarHBondContact O-N 3.45Å; E178-K181 VanDerWaalsContact O-N 3.12Å; K179-K181 VanDerWaalsContact C-N 3.29Å; K179-K181 PolarHBondContact O-N 3.27Å; K181-K205 PolarHBondContact O-N 3.43Å; K181-G206 PolarHBondContact O-N 2.93Å; K181-Y251 HydrophobicContact CG-CD1 4.15Å; K181-Y251 HydrophobicContact CG-CD2 3.85Å; K181-Y251 HydrophobicContact CG-CE2 4.33Å; K181-Y251 HydrophobicContact CG-CG 3.76Å
182D89.9Confident88.7Confident77 Ų7777.2 Ų77.241%0.41236%0.362SS..Hα-helixtrans-79.7-17.9-177.4-96.6-11000114.3E178 K179 E184 R204E178-D182 PolarHBondContact O-N 2.91Å; K179-D182 PolarHBondContact O-N 3.45Å; D182-E184 PolarHBondContact O-N 2.92Å; D182-R204 IonicContact OD1-CZ 3.85Å; D182-R204 IonicContact OD1-NE 3.67Å; D182-R204 IonicContact OD1-NH1 2.77Å; D182-R204 PolarHBondContact OD1-NH1 2.85Å; D182-R204 IonicContact OD2-NH1 3.31Å
183E89.3Confident87.8Confident83 Ų8374.7 Ų74.739%0.38835%0.352SS..SBendtrans-51125.7170.5-77.6170.3-161.200111.5K179 R204 K205K179-E183 PolarHBondContact O-N 3.01Å; E183-R204 WeakPolarHBondContact O-CA 3.41Å; E183-K205 HydrophobicContact CB-CD 3.87Å; E183-K205 PolarHBondContact O-N 3.47Å; E183-K205 IonicContact OE2-NZ 3.73Å; E183-K205 PolarHBondContact OE2-NZ 2.96Å
184E87.8Confident86.7Confident114 Ų11469.7 Ų69.753%0.53335%0.352SS..EExtended strand (participates in β ladder)trans-78.3138.4177.1-62.6-168.2160.800110.9D182 R202 R204D182-E184 PolarHBondContact O-N 2.92Å; E184-R202 IonicContact OE2-CZ 3.79Å; E184-R202 IonicContact OE2-NE 2.66Å; E184-R202 IonicContact OE2-NH2 3.22Å; E184-R202 PolarHBondContact OE2-NH2 3.38Å; E184-R204 HydrophobicContact CG-CG 4.34Å
185M84Confident85.8Confident28 Ų2867 Ų6714%0.13835%0.346CS..EExtended strand (participates in β ladder)trans-130.4136.8178.7-178.9172.462.500109.8V187 V203 K205 F250 F268M185-V187 HydrophobicContact CE-CG2 3.78Å; M185-V187 HydrophobicContact CG-CG2 4.37Å; M185-V203 PolarHBondContact N-O 3.23Å; M185-V203 PolarHBondContact O-N 3.23Å; M185-K205 HydrophobicContact CB-CG 4.28Å; M185-F250 HydrophobicContact CE-CB 3.82Å; M185-F250 HydrophobicContact CE-CD1 3.92Å; M185-F250 HydrophobicContact CE-CG 3.87Å; M185-F268 HydrophobicContact CE-CE1 4.26Å; M185-F268 HydrophobicContact SD-CD1 4.03Å; M185-F268 HydrophobicContact SD-CE1 3.66Å
186E85.6Confident85Confident124 Ų12467 Ų6758%0.57935%0.351SS*.EExtended strand (participates in β ladder)trans-89.3114.4172.8-50-151.7143.900109.4R202E186-R202 HydrophobicContact CG-CG 4.07Å; E186-R202 WeakPolarHBondContact OE1-CD 3.29Å; E186-R202 IonicContact OE1-NE 3.23Å
187V85.1Confident84.6Confident7 Ų764.8 Ų64.84%0.04234%0.34CS..EExtended strand (participates in β ladder)trans-100.8114.4176.7-179.30000108.5M185 V201 V203 F212 F237 F250M185-V187 HydrophobicContact CE-CG2 3.78Å; M185-V187 HydrophobicContact CG-CG2 4.37Å; V187-V201 PolarHBondContact N-O 2.66Å; V187-V201 PolarHBondContact O-N 3.22Å; V187-V203 HydrophobicContact CB-CG2 4.45Å; V187-V203 HydrophobicContact CG2-CG2 3.66Å; V187-F212 HydrophobicContact CB-CD2 4.36Å; V187-F212 HydrophobicContact CB-CE2 3.81Å; V187-F212 HydrophobicContact CB-CZ 4.42Å; V187-F212 HydrophobicContact CG1-CD2 4.48Å; V187-F212 HydrophobicContact CG1-CE2 3.71Å; V187-F212 HydrophobicContact CG1-CZ 3.81Å; V187-F237 HydrophobicContact CG1-CZ 4.23Å; V187-F250 HydrophobicContact CG2-CE1 4.41Å
188T86.8Confident84.4Confident61 Ų6169.2 Ų69.237%0.37436%0.357SS..EExtended strand (participates in β ladder)trans-82.9121.4170.4-55.90000109.2T200 A289 G290T188-T200 HydrophobicContact CG2-CG2 4.13Å; T188-A289 HydrophobicContact CG2-CB 3.85Å; T188-G290 PolarHBondContact O-N 3.36Å
189F88.8Confident84.1Confident2 Ų269.2 Ų69.21%0.00935%0.352CS..EExtended strand (participates in β ladder)trans-129.6160.3174.871.7-85.8000112.1R198 R199 V201 F212 A216 L220 F237 G290 V292F189-R198 CarbonylContact O-C 3.51Å; F189-R198 WeakPolarHBondContact O-CA 3.25Å; F189-R199 HydrophobicContact CE1-CB 3.99Å; F189-R199 HydrophobicContact CE2-CB 4.04Å; F189-R199 HydrophobicContact CZ-CB 3.66Å; F189-R199 HydrophobicContact CZ-CG 4.47Å; F189-R199 PolarHBondContact N-O 3.22Å; F189-R199 PolarHBondContact O-N 3.29Å; F189-V201 HydrophobicContact CE1-CB 3.97Å; F189-V201 HydrophobicContact CE1-CG2 3.54Å; F189-V201 HydrophobicContact CZ-CG2 4.19Å; F189-F212 HydrophobicContact CB-CZ 3.96Å; F189-F212 AromaticContact CD1-CE2 3.77Å; F189-F212 HydrophobicContact CD1-CE2 3.77Å; F189-F212 AromaticContact CD1-CZ 3.49Å; F189-F212 HydrophobicContact CD1-CZ 3.49Å; F189-F212 VanDerWaalsContact CD1-CZ 3.49Å; F189-F212 HydrophobicContact CE1-CE2 4.2Å; F189-F212 HydrophobicContact CE1-CZ 4.17Å; F189-F212 AromaticContact CG-CZ 3.81Å; F189-F212 HydrophobicContact CG-CZ 3.81Å; F189-A216 HydrophobicContact CE1-CB 3.79Å; F189-A216 HydrophobicContact CE2-CB 3.86Å; F189-A216 HydrophobicContact CZ-CB 3.4Å; F189-L220 HydrophobicContact CE2-CD1 4.06Å; F189-L220 HydrophobicContact CE2-CD2 4.46Å; F189-L220 HydrophobicContact CE2-CG 4.35Å; F189-F237 HydrophobicContact CB-CE2 4.26Å; F189-G290 CarbonylContact C-O 3.42Å; F189-G290 VanDerWaalsContact C-O 3.31Å; F189-G290 WeakPolarHBondContact CA-O 3.37Å; F189-G290 WeakPolarHBondContact CB-O 3.48Å; F189-V292 HydrophobicContact CB-CG2 4.09Å; F189-V292 HydrophobicContact CD2-CB 4.19Å; F189-V292 HydrophobicContact CD2-CG2 3.52Å; F189-V292 HydrophobicContact CE2-CG2 4.27Å; F189-V292 HydrophobicContact CG-CG2 4Å
190S88.1Confident84Confident10 Ų1066.6 Ų66.67%0.0735%0.349CS..EExtended strand (participates in β ladder)trans-122.6121.6174.4-171.80000108.8G196 H197 G290 K291 V292S190-G196 WeakPolarHBondContact OG-CA 3.31Å; S190-H197 CarbonylContact C-O 3.6Å; S190-H197 VanDerWaalsContact CA-O 3.28Å; S190-H197 WeakPolarHBondContact CA-O 3.38Å; S190-H197 PolarHBondContact OG-N 3.22Å; S190-G290 PolarHBondContact N-O 2.73Å; S190-K291 CarbonylContact O-C 3.53Å; S190-K291 WeakPolarHBondContact O-CA 3.42Å; S190-V292 PolarHBondContact O-N 2.95Å
191Y88.6Confident84Confident4 Ų465.7 Ų65.72%0.01634%0.343CS..EExtended strand (participates in β ladder)trans-69.7138.6164.9179-114.7000109D193 H197 L220 F224 L227 V292Y191-D193 HydrophobicContact CD1-CB 4.43Å; Y191-D193 HydrophobicContact CE1-CB 3.72Å; Y191-H197 PolarHBondContact N-O 3.22Å; Y191-H197 PolarHBondContact O-N 2.76Å; Y191-L220 HydrophobicContact CD2-CD1 4.01Å; Y191-L220 HydrophobicContact CG-CD1 4Å; Y191-L220 HydrophobicContact CG-CD2 4.35Å; Y191-F224 HydrophobicContact CD1-CD2 4.1Å; Y191-F224 HydrophobicContact CD1-CE1 4.27Å; Y191-F224 AromaticContact CD1-CE2 3.84Å; Y191-F224 HydrophobicContact CD1-CE2 3.84Å; Y191-F224 HydrophobicContact CD1-CG 4.45Å; Y191-F224 AromaticContact CD1-CZ 3.95Å; Y191-F224 HydrophobicContact CD1-CZ 3.95Å; Y191-F224 HydrophobicContact CE1-CD1 4.12Å; Y191-F224 HydrophobicContact CE1-CD2 4.23Å; Y191-F224 HydrophobicContact CE1-CE1 4.22Å; Y191-F224 HydrophobicContact CE1-CE2 4.34Å; Y191-F224 HydrophobicContact CE1-CG 4.14Å; Y191-F224 HydrophobicContact CE1-CZ 4.35Å; Y191-L227 HydrophobicContact CD1-CD1 4.4Å; Y191-L227 HydrophobicContact CD2-CD1 4.21Å; Y191-L227 HydrophobicContact CE1-CD1 4.04Å; Y191-L227 HydrophobicContact CE2-CD1 3.84Å; Y191-L227 HydrophobicContact CE2-CD2 3.94Å; Y191-L227 HydrophobicContact CE2-CG 4.32Å; Y191-L227 HydrophobicContact CG-CD1 4.49Å; Y191-V292 WeakPolarHBondContact CA-O 3.46Å; Y191-V292 HydrophobicContact CD2-CG1 4.36Å; Y191-V292 WeakPolarHBondContact CD2-O 3.49Å
192W82.1Confident84Confident73 Ų7369.5 Ų69.528%0.27736%0.355SS..EExtended strand (participates in β ladder)trans-125.3107.2-175.5-172.1-88.5000110.9V292 V293 W297W192-V292 PolarHBondContact N-O 3.26Å; W192-V293 HydrophobicContact CB-CG2 3.94Å; W192-W297 AromaticContact CD1-CE2 3.9Å; W192-W297 AromaticContact CD1-CH2 3.35Å; W192-W297 AromaticContact CD1-CZ2 3.35Å; W192-W297 AromaticContact CD1-CZ3 3.92Å; W192-W297 AromaticContact NE1-CH2 3.22Å; W192-W297 AromaticContact NE1-CZ2 3.17Å
193D76.6Confident84.1Confident59 Ų5965.9 Ų65.932%0.31634%0.336SS..SBendtrans-1196174.457.43.5000112.1Y191 S195 H197 F224Y191-D193 HydrophobicContact CD1-CB 4.43Å; Y191-D193 HydrophobicContact CE1-CB 3.72Å; D193-S195 PolarHBondContact OD1-N 3.2Å; D193-H197 IonicContact OD1-CE1 3.2Å; D193-H197 IonicContact OD1-ND1 3.94Å; D193-H197 IonicContact OD2-CE1 2.76Å; D193-H197 IonicContact OD2-ND1 3.8Å; D193-F224 VanDerWaalsContact OD2-CE1 3.27Å; D193-F224 WeakPolarHBondContact OD2-CE1 3.27Å
194G68.9Low84.2Confident60 Ų6067.1 Ų67.162%0.61934%0.337SS*.SBendtrans116.2-20.9-166.700000112.3
195S71.4Confident84.3Confident69 Ų6962.7 Ų62.748%0.48332%0.316SS..SBendtrans-122.2139.8167.7-174.40000110D193 H197D193-S195 PolarHBondContact OD1-N 3.2Å; S195-H197 PolarHBondContact O-N 2.85Å; S195-H197 PolarHBondContact O-ND1 2.85Å
196G75Confident84.6Confident41 Ų4162.5 Ų62.542%0.42332%0.321SS..EExtended strand (participates in β ladder)trans-84.9103.6-176.300000112.2S190 R198S190-G196 WeakPolarHBondContact OG-CA 3.31Å; G196-R198 PolarHBondContact O-N 3.23Å
197H81.7Confident84.9Confident64 Ų6458 Ų5830%0.29630%0.301SS..EExtended strand (participates in β ladder)trans-96.692.3177.7-61.493000111.5S190 Y191 D193 S195 F224S190-H197 CarbonylContact C-O 3.6Å; S190-H197 VanDerWaalsContact CA-O 3.28Å; S190-H197 WeakPolarHBondContact CA-O 3.38Å; S190-H197 PolarHBondContact OG-N 3.22Å; Y191-H197 PolarHBondContact N-O 3.22Å; Y191-H197 PolarHBondContact O-N 2.76Å; D193-H197 IonicContact OD1-CE1 3.2Å; D193-H197 IonicContact OD1-ND1 3.94Å; D193-H197 IonicContact OD2-CE1 2.76Å; D193-H197 IonicContact OD2-ND1 3.8Å; S195-H197 PolarHBondContact O-N 2.85Å; S195-H197 PolarHBondContact O-ND1 2.85Å; H197-F224 HydrophobicContact CB-CZ 4.28Å; H197-F224 AromaticContact CD2-CZ 3.72Å; H197-F224 AromaticContact CE1-CE1 3.72Å; H197-F224 AromaticContact CE1-CZ 3.49Å; H197-F224 VanDerWaalsContact CE1-CZ 3.49Å; H197-F224 WeakPolarHBondContact CE1-CZ 3.28Å; H197-F224 AromaticContact CG-CZ 3.59Å; H197-F224 AromaticContact ND1-CZ 3.47Å; H197-F224 WeakPolarHBondContact ND1-CZ 3.35Å; H197-F224 AromaticContact NE2-CZ 3.67Å
198R84.1Confident85.3Confident189 Ų18959 Ų5971%0.71331%0.308SS*.EExtended strand (participates in β ladder)trans-71.2131.5178.9-67.1-173.4-178.2-164.91.6111.8F189 G196F189-R198 CarbonylContact O-C 3.51Å; F189-R198 WeakPolarHBondContact O-CA 3.25Å; G196-R198 PolarHBondContact O-N 3.23Å
199R84.7Confident85.5Confident122 Ų12256.1 Ų56.146%0.4629%0.29SS..EExtended strand (participates in β ladder)trans-141.2152.6176-67-64.5-168.8-177.60.1109.3F189 L220 D223F189-R199 HydrophobicContact CE1-CB 3.99Å; F189-R199 HydrophobicContact CE2-CB 4.04Å; F189-R199 HydrophobicContact CZ-CB 3.66Å; F189-R199 HydrophobicContact CZ-CG 4.47Å; F189-R199 PolarHBondContact N-O 3.22Å; F189-R199 PolarHBondContact O-N 3.29Å; R199-L220 HydrophobicContact CG-CD2 4.36Å; R199-D223 IonicContact CZ-OD2 3.6Å; R199-D223 IonicContact NE-OD2 3.3Å; R199-D223 IonicContact NH2-OD1 3.87Å; R199-D223 IonicContact NH2-OD2 2.67Å; R199-D223 PolarHBondContact NH2-OD2 2.92Å
200T87.6Confident85.7Confident96 Ų9659.8 Ų59.859%0.58931%0.307SS*.EExtended strand (participates in β ladder)trans-114.1136.4174.5520000108.9T188T188-T200 HydrophobicContact CG2-CG2 4.13Å
201V88.6Confident86Confident27 Ų2763.9 Ų63.916%0.16433%0.325CS..EExtended strand (participates in β ladder)trans-134134.8174.7166.80000109.6V187 F189 V203 F212 K215V187-V201 PolarHBondContact N-O 2.66Å; V187-V201 PolarHBondContact O-N 3.22Å; F189-V201 HydrophobicContact CE1-CB 3.97Å; F189-V201 HydrophobicContact CE1-CG2 3.54Å; F189-V201 HydrophobicContact CZ-CG2 4.19Å; V201-V203 HydrophobicContact CG1-CG1 3.96Å; V201-F212 HydrophobicContact CB-CE2 4.32Å; V201-F212 HydrophobicContact CG1-CD2 4.44Å; V201-K215 HydrophobicContact CG1-CB 3.99Å; V201-K215 HydrophobicContact CG1-CD 4.32Å
202R90.5Very high86.2Confident149 Ų14963.7 Ų63.756%0.56232%0.324SS*.EExtended strand (participates in β ladder)trans-85.2123175.1-64.1-179.361.5162.4-2.4110.9E184 E186 K215E184-R202 IonicContact OE2-CZ 3.79Å; E184-R202 IonicContact OE2-NE 2.66Å; E184-R202 IonicContact OE2-NH2 3.22Å; E184-R202 PolarHBondContact OE2-NH2 3.38Å; E186-R202 HydrophobicContact CG-CG 4.07Å; E186-R202 WeakPolarHBondContact OE1-CD 3.29Å; E186-R202 IonicContact OE1-NE 3.23Å; R202-K215 PolarHBondContact O-NZ 3.07Å
203V91Very high86.6Confident2 Ų260.2 Ų60.21%0.01231%0.311CS..EExtended strand (participates in β ladder)trans-137.7153.4178.2-68.20000111M185 V187 V201 F212 K215 F250M185-V203 PolarHBondContact N-O 3.23Å; M185-V203 PolarHBondContact O-N 3.23Å; V187-V203 HydrophobicContact CB-CG2 4.45Å; V187-V203 HydrophobicContact CG2-CG2 3.66Å; V201-V203 HydrophobicContact CG1-CG1 3.96Å; V203-F212 HydrophobicContact CG1-CB 4.15Å; V203-F212 HydrophobicContact CG1-CD2 3.88Å; V203-F212 HydrophobicContact CG2-CD2 4.36Å; V203-K215 HydrophobicContact CG1-CD 4.04Å; V203-F250 HydrophobicContact CG2-CD2 4.39Å; V203-F250 HydrophobicContact CG2-CE2 4.13Å
204R91.9Very high87.3Confident109 Ų10963.3 Ų63.341%0.41132%0.322SS..EExtended strand (participates in β ladder)trans-78.8150.7171.9-62.4-176.9179.8-171.80.5110.2D182 E183 E184 G206 N207D182-R204 IonicContact OD1-CZ 3.85Å; D182-R204 IonicContact OD1-NE 3.67Å; D182-R204 IonicContact OD1-NH1 2.77Å; D182-R204 PolarHBondContact OD1-NH1 2.85Å; D182-R204 IonicContact OD2-NH1 3.31Å; E183-R204 WeakPolarHBondContact O-CA 3.41Å; E184-R204 HydrophobicContact CG-CG 4.34Å; R204-G206 PolarHBondContact O-N 3.39Å; R204-N207 PolarHBondContact N-ND2 3.44Å; R204-N207 VanDerWaalsContact O-CB 3.32Å; R204-N207 WeakPolarHBondContact O-CB 3.48Å; R204-N207 PolarHBondContact O-N 3.41Å
205K89.4Confident88.4Confident21 Ų2164.8 Ų64.89%0.09131%0.311CS..THydrogen-bonded Turntrans-60.1-31.8176.6-71.3174.5176.1178.10112.4V180 K181 E183 M185 N207 F250 Y251 I254V180-K205 WeakPolarHBondContact O-CB 3.46Å; V180-K205 WeakPolarHBondContact O-CD 3.5Å; K181-K205 PolarHBondContact O-N 3.43Å; E183-K205 HydrophobicContact CB-CD 3.87Å; E183-K205 PolarHBondContact O-N 3.47Å; E183-K205 IonicContact OE2-NZ 3.73Å; E183-K205 PolarHBondContact OE2-NZ 2.96Å; M185-K205 HydrophobicContact CB-CG 4.28Å; K205-N207 VanDerWaalsContact C-N 3.26Å; K205-N207 PolarHBondContact O-N 3.43Å; K205-F250 CarbonylContact O-C 3.56Å; K205-F250 WeakPolarHBondContact O-CB 3.47Å; K205-F250 PolarHBondContact O-N 3.29Å; K205-Y251 WeakPolarHBondContact O-CB 3.32Å; K205-Y251 PolarHBondContact O-N 3.48Å; K205-I254 HydrophobicContact CB-CD1 3.97Å; K205-I254 HydrophobicContact CD-CD1 3.42Å; K205-I254 VanDerWaalsContact CD-CD1 3.42Å; K205-I254 HydrophobicContact CG-CD1 3.63Å
206G89.6Confident89.2Confident23 Ų2361.5 Ų61.524%0.23729%0.288CS..THydrogen-bonded Turntrans-73.5-10.717600000115K181 R204 T249K181-G206 PolarHBondContact O-N 2.93Å; R204-G206 PolarHBondContact O-N 3.39Å; G206-T249 WeakPolarHBondContact O-CG2 3.49Å
207N92.5Very high89.8Confident29 Ų2959.8 Ų59.816%0.15527%0.269CS..SBendtrans-71.6147179.8-69.7-0.3000111R204 K205 Q211 T249 F250R204-N207 PolarHBondContact N-ND2 3.44Å; R204-N207 VanDerWaalsContact O-CB 3.32Å; R204-N207 WeakPolarHBondContact O-CB 3.48Å; R204-N207 PolarHBondContact O-N 3.41Å; K205-N207 VanDerWaalsContact C-N 3.26Å; K205-N207 PolarHBondContact O-N 3.43Å; N207-Q211 HydrophobicContact CB-CB 4.42Å; N207-T249 WeakPolarHBondContact O-CA 3.42Å; N207-F250 VanDerWaalsContact O-CD2 3.29Å; N207-F250 WeakPolarHBondContact O-CD2 3.47Å; N207-F250 PolarHBondContact O-N 3.37Å
208T93.8Very high90.1Very high30 Ų3062.2 Ų62.218%0.18428%0.281CS..BIsolated β-bridgetrans-75.2155.9172.864.70000111.1Q210 Q211 F212 H248 T249T208-Q210 PolarHBondContact O-N 3.17Å; T208-Q211 PolarHBondContact O-N 3.44Å; T208-Q211 VanDerWaalsContact O-N 3.07Å; T208-Q211 WeakPolarHBondContact OG1-CG 3.15Å; T208-Q211 PolarHBondContact OG1-N 3.21Å; T208-F212 PolarHBondContact O-N 3.42Å; T208-F212 VanDerWaalsContact O-N 3.12Å; T208-H248 WeakPolarHBondContact CA-O 3.13Å; T208-T249 HydrophobicContact CG2-CG2 4.03Å
209V91.6Very high90.2Very high0 Ų055.1 Ų55.10%027%0.266CS..Hα-helixtrans-56.4-36.2173.3176.10000110.7Q211 F212 L213 F237 L244 H248 F250 F253V209-Q211 PolarHBondContact O-N 2.74Å; V209-F212 WeakPolarHBondContact O-CB 3.47Å; V209-F212 PolarHBondContact O-N 3.3Å; V209-L213 HydrophobicContact CG1-CD1 4.15Å; V209-L213 HydrophobicContact CG1-CG 4.3Å; V209-L213 WeakPolarHBondContact O-CG 3.25Å; V209-L213 PolarHBondContact O-N 3.44Å; V209-F237 HydrophobicContact CG1-CB 3.74Å; V209-F237 HydrophobicContact CG1-CD1 4.12Å; V209-F237 HydrophobicContact CG1-CG 4.24Å; V209-L244 HydrophobicContact CG2-CB 4.35Å; V209-H248 PolarHBondContact N-O 2.8Å; V209-F250 HydrophobicContact CG2-CE1 4.47Å; V209-F250 HydrophobicContact CG2-CZ 4.31Å; V209-F253 HydrophobicContact CG2-CE2 3.9Å
210Q92.9Very high90.2Very high78 Ų7849.3 Ų49.336%0.36425%0.245SC..Hα-helixtrans-60.9-43.6175.3-165.2-173.30.100113T208 F212 L213 K214 V232 E233 H246T208-Q210 PolarHBondContact O-N 3.17Å; Q210-F212 VanDerWaalsContact C-N 3.31Å; Q210-F212 PolarHBondContact O-N 2.85Å; Q210-L213 PolarHBondContact O-N 2.93Å; Q210-K214 PolarHBondContact O-N 3.26Å; Q210-V232 HydrophobicContact CG-CG1 3.69Å; Q210-E233 PolarHBondContact NE2-OE1 3.48Å; Q210-H246 HydrophobicContact CB-CB 4.18Å; Q210-H246 PolarHBondContact N-O 3.03Å
211Q92.9Very high90.1Very high96 Ų9649.5 Ų49.545%0.44923%0.234SC..Hα-helixtrans-65-38177.2-71.8171.4-3.100111.5N207 T208 V209 K214 K215N207-Q211 HydrophobicContact CB-CB 4.42Å; T208-Q211 PolarHBondContact O-N 3.44Å; T208-Q211 VanDerWaalsContact O-N 3.07Å; T208-Q211 WeakPolarHBondContact OG1-CG 3.15Å; T208-Q211 PolarHBondContact OG1-N 3.21Å; V209-Q211 PolarHBondContact O-N 2.74Å; Q211-K214 PolarHBondContact O-N 2.78Å; Q211-K215 PolarHBondContact O-N 3.41Å; Q211-K215 VanDerWaalsContact O-N 3.14Å
212F92.4Very high89.8Confident0 Ų057 Ų570%027%0.265CS..Hα-helixtrans-61.7-49.4171.1161.1-99.4000111.6V187 F189 V201 V203 T208 V209 Q210 K214 K215 A216 F237 F250 V292V187-F212 HydrophobicContact CB-CD2 4.36Å; V187-F212 HydrophobicContact CB-CE2 3.81Å; V187-F212 HydrophobicContact CB-CZ 4.42Å; V187-F212 HydrophobicContact CG1-CD2 4.48Å; V187-F212 HydrophobicContact CG1-CE2 3.71Å; V187-F212 HydrophobicContact CG1-CZ 3.81Å; F189-F212 HydrophobicContact CB-CZ 3.96Å; F189-F212 AromaticContact CD1-CE2 3.77Å; F189-F212 HydrophobicContact CD1-CE2 3.77Å; F189-F212 AromaticContact CD1-CZ 3.49Å; F189-F212 HydrophobicContact CD1-CZ 3.49Å; F189-F212 VanDerWaalsContact CD1-CZ 3.49Å; F189-F212 HydrophobicContact CE1-CE2 4.2Å; F189-F212 HydrophobicContact CE1-CZ 4.17Å; F189-F212 AromaticContact CG-CZ 3.81Å; F189-F212 HydrophobicContact CG-CZ 3.81Å; V201-F212 HydrophobicContact CB-CE2 4.32Å; V201-F212 HydrophobicContact CG1-CD2 4.44Å; V203-F212 HydrophobicContact CG1-CB 4.15Å; V203-F212 HydrophobicContact CG1-CD2 3.88Å; V203-F212 HydrophobicContact CG2-CD2 4.36Å; T208-F212 PolarHBondContact O-N 3.42Å; T208-F212 VanDerWaalsContact O-N 3.12Å; V209-F212 WeakPolarHBondContact O-CB 3.47Å; V209-F212 PolarHBondContact O-N 3.3Å; Q210-F212 VanDerWaalsContact C-N 3.31Å; Q210-F212 PolarHBondContact O-N 2.85Å; F212-K214 VanDerWaalsContact C-N 3.26Å; F212-K214 PolarHBondContact O-N 2.99Å; F212-K215 PolarHBondContact O-N 3.2Å; F212-K215 VanDerWaalsContact O-N 3.1Å; F212-A216 WeakPolarHBondContact O-CB 3.45Å; F212-A216 PolarHBondContact O-N 2.9Å; F212-F237 HydrophobicContact CD1-CD2 4.46Å; F212-F237 AromaticContact CE1-CD2 3.6Å; F212-F237 HydrophobicContact CE1-CD2 3.6Å; F212-F237 AromaticContact CE1-CE2 3.61Å; F212-F237 HydrophobicContact CE1-CE2 3.61Å; F212-F237 HydrophobicContact CE1-CG 4.16Å; F212-F237 HydrophobicContact CE1-CZ 4.21Å; F212-F237 HydrophobicContact CZ-CD2 4.37Å; F212-F237 AromaticContact CZ-CE2 3.99Å; F212-F237 HydrophobicContact CZ-CE2 3.99Å; F212-F250 HydrophobicContact CB-CE2 3.65Å; F212-F250 HydrophobicContact CB-CZ 3.71Å; F212-F250 HydrophobicContact CD1-CZ 4.04Å; F212-F250 HydrophobicContact CD2-CZ 4.32Å; F212-F250 HydrophobicContact CG-CE2 4.18Å; F212-F250 AromaticContact CG-CZ 3.76Å; F212-F250 HydrophobicContact CG-CZ 3.76Å; F212-V292 HydrophobicContact CE1-CG2 4.45Å
213L91.9Very high89.4Confident0 Ų053.6 Ų53.60%026%0.258CS..Hα-helixtrans-60.4-35.8177.9-74175.4000112V209 Q210 A216 L217 V232 L235 F237 V292V209-L213 HydrophobicContact CG1-CD1 4.15Å; V209-L213 HydrophobicContact CG1-CG 4.3Å; V209-L213 WeakPolarHBondContact O-CG 3.25Å; V209-L213 PolarHBondContact O-N 3.44Å; Q210-L213 PolarHBondContact O-N 2.93Å; L213-A216 PolarHBondContact O-N 2.93Å; L213-L217 WeakPolarHBondContact O-CB 3.4Å; L213-L217 PolarHBondContact O-N 2.82Å; L213-V232 HydrophobicContact CB-CG1 3.73Å; L213-L235 HydrophobicContact CD1-CB 4.19Å; L213-L235 HydrophobicContact CD2-CB 4.2Å; L213-L235 HydrophobicContact CD2-CD1 4.5Å; L213-F237 HydrophobicContact CD1-CB 4.45Å; L213-F237 HydrophobicContact CD2-CB 4.13Å; L213-F237 HydrophobicContact CG-CB 4.49Å; L213-V292 HydrophobicContact CD2-CG1 3.95Å; L213-V292 HydrophobicContact CD2-CG2 4.02Å
214K91.6Very high88.8Confident124 Ų12455 Ų5554%0.53926%0.264SS..Hα-helixtrans-62.6-45.7173.5-172.1177.4179.6178.70112.1Q210 Q211 F212 L217 Q218 V232Q210-K214 PolarHBondContact O-N 3.26Å; Q211-K214 PolarHBondContact O-N 2.78Å; F212-K214 VanDerWaalsContact C-N 3.26Å; F212-K214 PolarHBondContact O-N 2.99Å; K214-L217 PolarHBondContact O-N 3.14Å; K214-Q218 WeakPolarHBondContact O-CG 3.45Å; K214-Q218 PolarHBondContact O-N 3.29Å; K214-V232 HydrophobicContact CB-CG2 3.92Å; K214-V232 HydrophobicContact CG-CG2 4.17Å
215K90.4Very high88Confident91 Ų9156.4 Ų56.440%0.39628%0.279SS..Hα-helixtrans-65.1-43.7175.7-76-178.9171.1-171.80111.6V201 R202 V203 Q211 F212 Q218 G219V201-K215 HydrophobicContact CG1-CB 3.99Å; V201-K215 HydrophobicContact CG1-CD 4.32Å; R202-K215 PolarHBondContact O-NZ 3.07Å; V203-K215 HydrophobicContact CG1-CD 4.04Å; Q211-K215 PolarHBondContact O-N 3.41Å; Q211-K215 VanDerWaalsContact O-N 3.14Å; F212-K215 PolarHBondContact O-N 3.2Å; F212-K215 VanDerWaalsContact O-N 3.1Å; K215-Q218 PolarHBondContact O-N 3.29Å; K215-G219 PolarHBondContact O-N 3.21Å
216A88.6Confident87.4Confident0 Ų062.3 Ų62.30%031%0.307CS..Hα-helixtrans-59.4-46.7175.200000111.3F189 F212 L213 Q218 G219 L220F189-A216 HydrophobicContact CE1-CB 3.79Å; F189-A216 HydrophobicContact CE2-CB 3.86Å; F189-A216 HydrophobicContact CZ-CB 3.4Å; F212-A216 WeakPolarHBondContact O-CB 3.45Å; F212-A216 PolarHBondContact O-N 2.9Å; L213-A216 PolarHBondContact O-N 2.93Å; A216-Q218 PolarHBondContact O-N 2.75Å; A216-G219 PolarHBondContact O-N 3.47Å; A216-G219 VanDerWaalsContact O-N 3.14Å; A216-L220 WeakPolarHBondContact O-CG 3.37Å; A216-L220 PolarHBondContact O-N 3.22Å
217L88.6Confident86.9Confident5 Ų561.2 Ų61.23%0.02630%0.295CS..Hα-helixtrans-61.6-40.4177.9-178.765.7000112.1L213 K214 G219 L220 R221 L227 V232 L235L213-L217 WeakPolarHBondContact O-CB 3.4Å; L213-L217 PolarHBondContact O-N 2.82Å; K214-L217 PolarHBondContact O-N 3.14Å; L217-G219 VanDerWaalsContact C-N 3.28Å; L217-G219 PolarHBondContact O-N 3.1Å; L217-L220 PolarHBondContact O-N 3.21Å; L217-R221 HydrophobicContact CD1-CG 4.26Å; L217-R221 HydrophobicContact CG-CG 4.28Å; L217-R221 WeakPolarHBondContact O-CB 3.35Å; L217-R221 VanDerWaalsContact O-CG 3.22Å; L217-R221 WeakPolarHBondContact O-CG 3.05Å; L217-R221 PolarHBondContact O-N 3.19Å; L217-L227 HydrophobicContact CD1-CB 3.82Å; L217-L227 HydrophobicContact CD1-CD1 4.49Å; L217-L227 HydrophobicContact CD1-CD2 4.14Å; L217-L227 HydrophobicContact CD1-CG 4.39Å; L217-V232 HydrophobicContact CD2-CG2 4.04Å; L217-L235 HydrophobicContact CB-CD1 4.04Å; L217-L235 HydrophobicContact CD1-CD1 4.02Å; L217-L235 HydrophobicContact CD2-CD1 4.43Å; L217-L235 HydrophobicContact CG-CD1 4.38Å
218Q87.6Confident86.2Confident115 Ų11568 Ų6854%0.53732%0.319SS..Hα-helixtrans-61.1-37.1175.1-75.6175-7.500112.6K214 K215 A216K214-Q218 WeakPolarHBondContact O-CG 3.45Å; K214-Q218 PolarHBondContact O-N 3.29Å; K215-Q218 PolarHBondContact O-N 3.29Å; A216-Q218 PolarHBondContact O-N 2.75Å
219G85.9Confident85.5Confident40 Ų4072.2 Ų72.241%0.41235%0.35SS..Hα-helixtrans-67.3-47.617300000112.3K215 A216 L217 R221K215-G219 PolarHBondContact O-N 3.21Å; A216-G219 PolarHBondContact O-N 3.47Å; A216-G219 VanDerWaalsContact O-N 3.14Å; L217-G219 VanDerWaalsContact C-N 3.28Å; L217-G219 PolarHBondContact O-N 3.1Å; G219-R221 PolarHBondContact O-N 3.37Å
220L85.8Confident85Confident1 Ų172.6 Ų72.61%0.00535%0.352CS..Hα-helixtrans-71.5-27.1-176.4-66.3171.1000114F189 Y191 R199 A216 L217 K222 D223 F224 L227F189-L220 HydrophobicContact CE2-CD1 4.06Å; F189-L220 HydrophobicContact CE2-CD2 4.46Å; F189-L220 HydrophobicContact CE2-CG 4.35Å; Y191-L220 HydrophobicContact CD2-CD1 4.01Å; Y191-L220 HydrophobicContact CG-CD1 4Å; Y191-L220 HydrophobicContact CG-CD2 4.35Å; R199-L220 HydrophobicContact CG-CD2 4.36Å; A216-L220 WeakPolarHBondContact O-CG 3.37Å; A216-L220 PolarHBondContact O-N 3.22Å; L217-L220 PolarHBondContact O-N 3.21Å; L220-K222 PolarHBondContact O-N 3.09Å; L220-D223 PolarHBondContact O-N 2.79Å; L220-F224 HydrophobicContact CB-CD2 4.27Å; L220-F224 HydrophobicContact CD2-CD2 4.23Å; L220-F224 HydrophobicContact CD2-CE2 3.96Å; L220-F224 WeakPolarHBondContact O-CD2 2.98Å; L220-F224 PolarHBondContact O-N 2.99Å; L220-L227 HydrophobicContact CB-CD1 3.58Å; L220-L227 HydrophobicContact CD1-CD1 3.92Å; L220-L227 HydrophobicContact CG-CD1 4.34Å
221R84.8Confident84.6Confident100 Ų10070.6 Ų70.638%0.37735%0.353SS..THydrogen-bonded Turntrans-58.8-20.2178.5-88.6176.2176.2-1690.8114.3L217 G219 L227L217-R221 HydrophobicContact CD1-CG 4.26Å; L217-R221 HydrophobicContact CG-CG 4.28Å; L217-R221 WeakPolarHBondContact O-CB 3.35Å; L217-R221 VanDerWaalsContact O-CG 3.22Å; L217-R221 WeakPolarHBondContact O-CG 3.05Å; L217-R221 PolarHBondContact O-N 3.19Å; G219-R221 PolarHBondContact O-N 3.37Å; R221-L227 PolarHBondContact NE-O 2.89Å
222K81.7Confident84.4Confident183 Ų18367.1 Ų67.180%0.79634%0.338SS*.THydrogen-bonded Turntrans-73.6-34.8175.4-65.2-177.4179.6-178.70111.8L220L220-K222 PolarHBondContact O-N 3.09Å
223D82.3Confident84.1Confident79 Ų7972.1 Ų72.142%0.42236%0.361SS..THydrogen-bonded Turntrans-97.1-33.1-172.2-55.6-28.8000111.9R199 L220R199-D223 IonicContact CZ-OD2 3.6Å; R199-D223 IonicContact NE-OD2 3.3Å; R199-D223 IonicContact NH2-OD1 3.87Å; R199-D223 IonicContact NH2-OD2 2.67Å; R199-D223 PolarHBondContact NH2-OD2 2.92Å; L220-D223 PolarHBondContact O-N 2.79Å
224F78.7Confident84Confident30 Ų3075.9 Ų75.913%0.13238%0.379CS..  trans-118.7117-174.8-55.7-81.7000111.9Y191 D193 H197 L220 E226 L227Y191-F224 HydrophobicContact CD1-CD2 4.1Å; Y191-F224 HydrophobicContact CD1-CE1 4.27Å; Y191-F224 AromaticContact CD1-CE2 3.84Å; Y191-F224 HydrophobicContact CD1-CE2 3.84Å; Y191-F224 HydrophobicContact CD1-CG 4.45Å; Y191-F224 AromaticContact CD1-CZ 3.95Å; Y191-F224 HydrophobicContact CD1-CZ 3.95Å; Y191-F224 HydrophobicContact CE1-CD1 4.12Å; Y191-F224 HydrophobicContact CE1-CD2 4.23Å; Y191-F224 HydrophobicContact CE1-CE1 4.22Å; Y191-F224 HydrophobicContact CE1-CE2 4.34Å; Y191-F224 HydrophobicContact CE1-CG 4.14Å; Y191-F224 HydrophobicContact CE1-CZ 4.35Å; D193-F224 VanDerWaalsContact OD2-CE1 3.27Å; D193-F224 WeakPolarHBondContact OD2-CE1 3.27Å; H197-F224 HydrophobicContact CB-CZ 4.28Å; H197-F224 AromaticContact CD2-CZ 3.72Å; H197-F224 AromaticContact CE1-CE1 3.72Å; H197-F224 AromaticContact CE1-CZ 3.49Å; H197-F224 VanDerWaalsContact CE1-CZ 3.49Å; H197-F224 WeakPolarHBondContact CE1-CZ 3.28Å; H197-F224 AromaticContact CG-CZ 3.59Å; H197-F224 AromaticContact ND1-CZ 3.47Å; H197-F224 WeakPolarHBondContact ND1-CZ 3.35Å; H197-F224 AromaticContact NE2-CZ 3.67Å; L220-F224 HydrophobicContact CB-CD2 4.27Å; L220-F224 HydrophobicContact CD2-CD2 4.23Å; L220-F224 HydrophobicContact CD2-CE2 3.96Å; L220-F224 WeakPolarHBondContact O-CD2 2.98Å; L220-F224 PolarHBondContact O-N 2.99Å; F224-E226 VanDerWaalsContact C-N 3.3Å; F224-E226 PolarHBondContact O-N 3.05Å; F224-L227 HydrophobicContact CB-CB 4.26Å; F224-L227 HydrophobicContact CB-CD1 3.9Å; F224-L227 HydrophobicContact CB-CG 4.06Å; F224-L227 HydrophobicContact CD2-CD1 4.05Å; F224-L227 HydrophobicContact CG-CD1 4.22Å; F224-L227 PolarHBondContact O-N 2.81Å
225L76.1Confident83.9Confident139 Ų13970 Ų7073%0.72835%0.353SS*.SBendtrans-68.3-30.6176.2-71.197.5000112.5L227 R228L225-L227 PolarHBondContact O-N 2.88Å; L225-R228 WeakPolarHBondContact O-CB 3.45Å; L225-R228 PolarHBondContact O-N 3.08Å
226E75.7Confident83.9Confident146 Ų14666 Ų6668%0.68234%0.336SS*.Hα-helixtrans-62.2-34.2179.1-58.8-174.2170.300112.2F224 R228F224-E226 VanDerWaalsContact C-N 3.3Å; F224-E226 PolarHBondContact O-N 3.05Å; E226-R228 PolarHBondContact O-N 2.98Å
227L79.6Confident84.1Confident0 Ų066 Ų660%034%0.336CS..Hα-helixtrans-77.6-5.4177.8-68.5177.3000113.6Y191 L217 L220 R221 F224 L225 A230 L235 L294Y191-L227 HydrophobicContact CD1-CD1 4.4Å; Y191-L227 HydrophobicContact CD2-CD1 4.21Å; Y191-L227 HydrophobicContact CE1-CD1 4.04Å; Y191-L227 HydrophobicContact CE2-CD1 3.84Å; Y191-L227 HydrophobicContact CE2-CD2 3.94Å; Y191-L227 HydrophobicContact CE2-CG 4.32Å; Y191-L227 HydrophobicContact CG-CD1 4.49Å; L217-L227 HydrophobicContact CD1-CB 3.82Å; L217-L227 HydrophobicContact CD1-CD1 4.49Å; L217-L227 HydrophobicContact CD1-CD2 4.14Å; L217-L227 HydrophobicContact CD1-CG 4.39Å; L220-L227 HydrophobicContact CB-CD1 3.58Å; L220-L227 HydrophobicContact CD1-CD1 3.92Å; L220-L227 HydrophobicContact CG-CD1 4.34Å; R221-L227 PolarHBondContact NE-O 2.89Å; F224-L227 HydrophobicContact CB-CB 4.26Å; F224-L227 HydrophobicContact CB-CD1 3.9Å; F224-L227 HydrophobicContact CB-CG 4.06Å; F224-L227 HydrophobicContact CD2-CD1 4.05Å; F224-L227 HydrophobicContact CG-CD1 4.22Å; F224-L227 PolarHBondContact O-N 2.81Å; L225-L227 PolarHBondContact O-N 2.88Å; L227-A230 HydrophobicContact CD2-CB 4.41Å; L227-L235 HydrophobicContact CD2-CD2 4.11Å; L227-L294 HydrophobicContact CD2-CD1 4.32Å; L227-L294 HydrophobicContact CD2-CD2 4.05Å; L227-L294 HydrophobicContact CD2-CG 4.29Å
228R76.7Confident84.1Confident171 Ų17165.7 Ų65.765%0.64534%0.335SS*.Hα-helixtrans-70.6-38.9175.8-169.2178.7-65.5-148.70.2111.7L225 E226L225-R228 WeakPolarHBondContact O-CB 3.45Å; L225-R228 PolarHBondContact O-N 3.08Å; E226-R228 PolarHBondContact O-N 2.98Å
229S79.4Confident84Confident119 Ų11960.8 Ų60.883%0.83231%0.312SS*.Hα-helixtrans-84.7-28.6179-175.80000112.3
230A82.2Confident83.9Confident7 Ų759.4 Ų59.46%0.05830%0.295CS..  trans-68.6137.6179.500000112.7L227 L294L227-A230 HydrophobicContact CD2-CB 4.41Å; A230-L294 HydrophobicContact CB-CD2 3.97Å
231G84.3Confident83.7Confident36 Ų3660.3 Ų60.337%0.37130%0.299SS..  trans-88.1167.8171.100000112.5E233 Q234G231-E233 PolarHBondContact O-N 3.4Å; G231-Q234 PolarHBondContact O-N 3.5Å
232V87.3Confident83.8Confident23 Ų2355.8 Ų55.814%0.13928%0.282CS..G310 helixtrans-61.9-34.2177.5-176.50000111.6Q210 L213 K214 L217 Q234 L235Q210-V232 HydrophobicContact CG-CG1 3.69Å; L213-V232 HydrophobicContact CB-CG1 3.73Å; K214-V232 HydrophobicContact CB-CG2 3.92Å; K214-V232 HydrophobicContact CG-CG2 4.17Å; L217-V232 HydrophobicContact CD2-CG2 4.04Å; V232-Q234 PolarHBondContact O-N 2.64Å; V232-L235 WeakPolarHBondContact O-CB 3.4Å; V232-L235 PolarHBondContact O-N 3.19Å
233E88.1Confident84.2Confident105 Ų10548.2 Ų48.249%0.49125%0.251SS..G310 helixtrans-65.7-23.2-179.5-55.8-45.6129.500114.4Q210 G231 L235 H246Q210-E233 PolarHBondContact NE2-OE1 3.48Å; G231-E233 PolarHBondContact O-N 3.4Å; E233-L235 VanDerWaalsContact C-N 3.35Å; E233-H246 IonicContact OE2-ND1 3.41Å; E233-H246 PolarHBondContact OE2-ND1 2.7Å
234Q89.6Confident84.6Confident79 Ų7944.6 Ų44.637%0.36923%0.231SC..G310 helixtrans-85.9-11.3177.2-166.5171.63.100112G231 V232 L294 R295 S296G231-Q234 PolarHBondContact O-N 3.5Å; V232-Q234 PolarHBondContact O-N 2.64Å; Q234-L294 HydrophobicContact CG-CD2 4.11Å; Q234-L294 CarbonylContact O-C 3.53Å; Q234-R295 HydrophobicContact CG-CB 4.25Å; Q234-R295 VanDerWaalsContact O-CB 3.3Å; Q234-R295 WeakPolarHBondContact O-CB 3.3Å; Q234-R295 PolarHBondContact O-N 3.43Å; Q234-S296 PolarHBondContact NE2-OG 3.21Å
235L89.4Confident85.2Confident0 Ų044.3 Ų44.30%023%0.233CC..EExtended strand (participates in β ladder)trans-84.9151.3172.5-67.7173.3000110.1L213 L217 L227 V232 E233 H246 V292 V293 L294L213-L235 HydrophobicContact CD1-CB 4.19Å; L213-L235 HydrophobicContact CD2-CB 4.2Å; L213-L235 HydrophobicContact CD2-CD1 4.5Å; L217-L235 HydrophobicContact CB-CD1 4.04Å; L217-L235 HydrophobicContact CD1-CD1 4.02Å; L217-L235 HydrophobicContact CD2-CD1 4.43Å; L217-L235 HydrophobicContact CG-CD1 4.38Å; L227-L235 HydrophobicContact CD2-CD2 4.11Å; V232-L235 WeakPolarHBondContact O-CB 3.4Å; V232-L235 PolarHBondContact O-N 3.19Å; E233-L235 VanDerWaalsContact C-N 3.35Å; L235-H246 PolarHBondContact O-CE1 3.39Å; L235-H246 PolarHBondContact O-NE2 3.19Å; L235-V292 HydrophobicContact CD1-CG1 4.36Å; L235-V292 HydrophobicContact CD2-CG1 3.94Å; L235-V293 CarbonylContact C-O 3.58Å; L235-L294 HydrophobicContact CD2-CD2 3.82Å; L235-L294 HydrophobicContact CD2-CG 4.27Å
236M90.3Very high85.9Confident7 Ų739 Ų393%0.03420%0.204CC..EExtended strand (participates in β ladder)trans-129141.4170-64.3-171.2-57.500108.6I238 I243 V292 V293 R295 Y298M236-I238 HydrophobicContact CB-CD1 4.27Å; M236-I243 HydrophobicContact SD-CG2 4.45Å; M236-V292 WeakPolarHBondContact O-CA 3.34Å; M236-V293 PolarHBondContact N-O 2.87Å; M236-V293 PolarHBondContact O-N 2.72Å; M236-R295 HydrophobicContact CE-CB 4.33Å; M236-R295 HydrophobicContact CG-CB 4.44Å; M236-R295 HydrophobicContact SD-CB 4.36Å; M236-R295 HydrophobicContact SD-CG 4.34Å; M236-Y298 HydrophobicContact CE-CD1 3.39Å; M236-Y298 HydrophobicContact CE-CD2 4.3Å; M236-Y298 HydrophobicContact CE-CE1 4.3Å; M236-Y298 HydrophobicContact CE-CG 3.37Å; M236-Y298 HydrophobicContact SD-CD1 4.42Å
237F91.4Very high86.7Confident0 Ų040 Ų400%020%0.202CC..EExtended strand (participates in β ladder)trans-104.4123.8174.7-175.9-118000109.3V187 F189 V209 F212 L213 K239 L244 F250 F266 V292V187-F237 HydrophobicContact CG1-CZ 4.23Å; F189-F237 HydrophobicContact CB-CE2 4.26Å; V209-F237 HydrophobicContact CG1-CB 3.74Å; V209-F237 HydrophobicContact CG1-CD1 4.12Å; V209-F237 HydrophobicContact CG1-CG 4.24Å; F212-F237 HydrophobicContact CD1-CD2 4.46Å; F212-F237 AromaticContact CE1-CD2 3.6Å; F212-F237 HydrophobicContact CE1-CD2 3.6Å; F212-F237 AromaticContact CE1-CE2 3.61Å; F212-F237 HydrophobicContact CE1-CE2 3.61Å; F212-F237 HydrophobicContact CE1-CG 4.16Å; F212-F237 HydrophobicContact CE1-CZ 4.21Å; F212-F237 HydrophobicContact CZ-CD2 4.37Å; F212-F237 AromaticContact CZ-CE2 3.99Å; F212-F237 HydrophobicContact CZ-CE2 3.99Å; L213-F237 HydrophobicContact CD1-CB 4.45Å; L213-F237 HydrophobicContact CD2-CB 4.13Å; L213-F237 HydrophobicContact CG-CB 4.49Å; F237-K239 HydrophobicContact CE1-CB 4.14Å; F237-K239 HydrophobicContact CZ-CB 4.42Å; F237-L244 HydrophobicContact CD1-CB 4.1Å; F237-L244 HydrophobicContact CD1-CD1 3.69Å; F237-L244 HydrophobicContact CD1-CG 4.06Å; F237-L244 HydrophobicContact CE1-CD1 3.71Å; F237-L244 HydrophobicContact CE1-CG 4.46Å; F237-L244 PolarHBondContact O-N 2.88Å; F237-F250 HydrophobicContact CE1-CE1 4.35Å; F237-F266 HydrophobicContact CE1-CZ 4.27Å; F237-V292 HydrophobicContact CD2-CG2 3.91Å; F237-V292 HydrophobicContact CE2-CG2 4.48Å
238I89.1Confident87.2Confident0 Ų041.5 Ų41.50%021%0.21CC..EExtended strand (participates in β ladder)trans-116.1123.2178.1-58.396.3000107.5M236 L242 I243 G290 K291 V293 W310M236-I238 HydrophobicContact CB-CD1 4.27Å; I238-L242 CarbonylContact C-O 3.57Å; I238-L242 WeakPolarHBondContact CA-O 2.89Å; I238-I243 HydrophobicContact CG1-CG1 3.95Å; I238-G290 CarbonylContact O-C 3.57Å; I238-G290 WeakPolarHBondContact O-CA 3.46Å; I238-K291 HydrophobicContact CB-CB 4.35Å; I238-K291 PolarHBondContact N-O 3.42Å; I238-K291 PolarHBondContact O-N 2.96Å; I238-V293 HydrophobicContact CD1-CB 3.81Å; I238-V293 HydrophobicContact CD1-CG2 3.69Å; I238-W310 HydrophobicContact CB-CD2 4.47Å; I238-W310 HydrophobicContact CD1-CE3 3.96Å; I238-W310 HydrophobicContact CD1-CH2 4.37Å; I238-W310 HydrophobicContact CD1-CZ3 3.8Å; I238-W310 HydrophobicContact CG1-CD2 4.04Å; I238-W310 HydrophobicContact CG1-CE3 3.74Å; I238-W310 HydrophobicContact CG1-CZ3 4.09Å; I238-W310 HydrophobicContact CG2-CD2 3.84Å; I238-W310 HydrophobicContact CG2-CE3 4.41Å; I238-W310 HydrophobicContact CG2-CG 3.9Å
239K86.3Confident87.9Confident12 Ų1234.5 Ų34.55%0.05219%0.186CC..EExtended strand (participates in β ladder)trans-114.1128.2170.1-175.958.8174.169.40108.5F237 D241 L242 L244 L265 H288F237-K239 HydrophobicContact CE1-CB 4.14Å; F237-K239 HydrophobicContact CZ-CB 4.42Å; K239-D241 PolarHBondContact O-N 3.24Å; K239-L242 PolarHBondContact N-O 2.76Å; K239-L242 PolarHBondContact O-N 2.76Å; K239-L244 HydrophobicContact CB-CD1 4.35Å; K239-L265 HydrophobicContact CB-CD2 4.12Å; K239-L265 WeakPolarHBondContact CE-O 3.33Å; K239-L265 HydrophobicContact CG-CB 4.28Å; K239-L265 HydrophobicContact CG-CD2 4Å; K239-L265 WeakPolarHBondContact CG-O 3.46Å; K239-L265 PolarHBondContact NZ-O 2.99Å; K239-L265 WeakPolarHBondContact O-CD2 3.36Å; K239-H288 WeakPolarHBondContact CD-O 3.45Å; K239-H288 WeakPolarHBondContact CE-O 3.36Å; K239-H288 PolarHBondContact NZ-O 2.97Å
240E83Confident88.3Confident11 Ų1128.8 Ų28.85%0.05115%0.146CC..THydrogen-bonded Turntrans56.3-99.7-170.4-62.3-53132.300112S262 L265 H288E240-S262 VanDerWaalsContact CB-OG 3.27Å; E240-S262 WeakPolarHBondContact CB-OG 3.46Å; E240-S262 WeakPolarHBondContact CG-OG 3.44Å; E240-S262 PolarHBondContact OE2-OG 2.75Å; E240-L265 HydrophobicContact CB-CD2 4.23Å; E240-L265 HydrophobicContact CG-CD2 4.27Å; E240-H288 WeakPolarHBondContact OE1-CA 3.41Å; E240-H288 WeakPolarHBondContact OE1-CB 3.32Å; E240-H288 PolarHBondContact OE1-N 2.71Å; E240-H288 IonicContact OE2-CD2 3.62Å; E240-H288 PolarHBondContact OE2-CD2 2.8Å; E240-H288 VanDerWaalsContact OE2-CD2 3.3Å; E240-H288 IonicContact OE2-CG 3.57Å
241D82.5Confident88.5Confident19 Ų1929.4 Ų29.410%0.10215%0.147CC..THydrogen-bonded Turntrans-123.55.4-179.6-67.7-39.7000112.3K239 R309 W310 E311K239-D241 PolarHBondContact O-N 3.24Å; D241-R309 HydrophobicContact CB-CG 4.45Å; D241-R309 VanDerWaalsContact CG-NE 3.32Å; D241-R309 WeakPolarHBondContact OD1-CD 3.33Å; D241-R309 IonicContact OD1-NE 3.52Å; D241-R309 PolarHBondContact OD1-NE 3.14Å; D241-R309 IonicContact OD2-CZ 3.57Å; D241-R309 IonicContact OD2-NE 3.6Å; D241-R309 PolarHBondContact OD2-NE 3.2Å; D241-R309 IonicContact OD2-NH2 2.91Å; D241-R309 PolarHBondContact OD2-NH2 3.43Å; D241-W310 CarbonylContact O-C 3.31Å; D241-W310 VanDerWaalsContact O-CA 3.25Å; D241-W310 WeakPolarHBondContact O-CA 3.22Å; D241-E311 PolarHBondContact O-N 2.86Å
242L86.6Confident88.7Confident5 Ų530.4 Ų30.43%0.02614%0.143CC..EExtended strand (participates in β ladder)trans-111.5127.2-175.4-66.3174.8000111.5I238 K239 L244 L265 E311 Y313I238-L242 CarbonylContact C-O 3.57Å; I238-L242 WeakPolarHBondContact CA-O 2.89Å; K239-L242 PolarHBondContact N-O 2.76Å; K239-L242 PolarHBondContact O-N 2.76Å; L242-L244 HydrophobicContact CB-CD2 4.29Å; L242-L244 PolarHBondContact O-N 3.12Å; L242-L265 HydrophobicContact CB-CD2 4.2Å; L242-L265 HydrophobicContact CD1-CD1 3.96Å; L242-L265 HydrophobicContact CD1-CD2 3.86Å; L242-L265 HydrophobicContact CD1-CG 4.18Å; L242-L265 HydrophobicContact CG-CD2 4.38Å; L242-E311 CarbonylContact C-O 3.58Å; L242-E311 WeakPolarHBondContact CA-O 3.35Å; L242-E311 HydrophobicContact CD2-CB 4.29Å; L242-Y313 HydrophobicContact CD1-CD2 4.04Å
243I90.2Very high88.5Confident25 Ų2529.3 Ų29.313%0.12814%0.137CC..EExtended strand (participates in β ladder)trans-80.8113.7171.2-54.6173.2000107.2M236 I238 Y298 W310 E311 Y313M236-I243 HydrophobicContact SD-CG2 4.45Å; I238-I243 HydrophobicContact CG1-CG1 3.95Å; I243-Y298 HydrophobicContact CD1-CE1 4.03Å; I243-Y298 HydrophobicContact CD1-CE2 4.12Å; I243-Y298 WeakPolarHBondContact CD1-OH 3.41Å; I243-W310 HydrophobicContact CD1-CB 4.02Å; I243-W310 HydrophobicContact CG1-CB 3.92Å; I243-E311 PolarHBondContact N-O 3.47Å; I243-Y313 WeakPolarHBondContact O-CB 3.36Å; I243-Y313 PolarHBondContact O-N 3.43Å
244L90.4Very high88.3Confident2 Ų225.8 Ų25.81%0.0112%0.121CC..EExtended strand (participates in β ladder)trans-85.7129-178.4-57.8-167.1000110.9V209 F237 K239 L242 F253 L265 F266 Y313V209-L244 HydrophobicContact CG2-CB 4.35Å; F237-L244 HydrophobicContact CD1-CB 4.1Å; F237-L244 HydrophobicContact CD1-CD1 3.69Å; F237-L244 HydrophobicContact CD1-CG 4.06Å; F237-L244 HydrophobicContact CE1-CD1 3.71Å; F237-L244 HydrophobicContact CE1-CG 4.46Å; F237-L244 PolarHBondContact O-N 2.88Å; K239-L244 HydrophobicContact CB-CD1 4.35Å; L242-L244 HydrophobicContact CB-CD2 4.29Å; L242-L244 PolarHBondContact O-N 3.12Å; L244-F253 HydrophobicContact CB-CE2 4.35Å; L244-F253 HydrophobicContact CB-CZ 3.99Å; L244-F253 HydrophobicContact CD1-CD2 4.16Å; L244-F253 HydrophobicContact CD1-CE1 4.48Å; L244-F253 HydrophobicContact CD1-CE2 3.83Å; L244-F253 HydrophobicContact CD1-CZ 4Å; L244-F253 HydrophobicContact CD2-CD1 4.44Å; L244-F253 HydrophobicContact CD2-CE1 3.82Å; L244-F253 HydrophobicContact CD2-CZ 3.88Å; L244-F253 HydrophobicContact CG-CE2 4.46Å; L244-F253 HydrophobicContact CG-CZ 4.17Å; L244-L265 HydrophobicContact CD2-CD1 3.98Å; L244-F266 HydrophobicContact CD1-CE2 4.23Å; L244-F266 HydrophobicContact CD1-CZ 4.2Å; L244-Y313 HydrophobicContact CD2-CD2 4.43Å; L244-Y313 HydrophobicContact CD2-CG 4.29Å
245P91.4Very high87.9Confident25 Ų2526.8 Ų26.816%0.16213%0.128CC..  trans-65.5151175.6-22.332.3000112.8Y247P245-Y247 VanDerWaalsContact C-N 3.33Å; P245-Y247 HydrophobicContact CB-CD1 3.89Å; P245-Y247 HydrophobicContact CB-CE1 3.42Å; P245-Y247 VanDerWaalsContact CB-CE1 3.42Å; P245-Y247 HydrophobicContact CB-CE2 4.32Å; P245-Y247 HydrophobicContact CG-CE1 4.34Å; P245-Y247 PolarHBondContact O-N 2.92Å
246H91.3Very high87.4Confident26 Ų2629.5 Ų29.512%0.1215%0.15CC..THydrogen-bonded Turntrans-69.3-29.5-173.7-67.7-169.1000113.7Q210 E233 L235Q210-H246 HydrophobicContact CB-CB 4.18Å; Q210-H246 PolarHBondContact N-O 3.03Å; E233-H246 IonicContact OE2-ND1 3.41Å; E233-H246 PolarHBondContact OE2-ND1 2.7Å; L235-H246 PolarHBondContact O-CE1 3.39Å; L235-H246 PolarHBondContact O-NE2 3.19Å
247Y90.7Very high86.6Confident168 Ų16837.4 Ų37.466%0.65918%0.184SC*.THydrogen-bonded Turntrans-83.6-17.4-174.657.9-97.2000113.6P245P245-Y247 VanDerWaalsContact C-N 3.33Å; P245-Y247 HydrophobicContact CB-CD1 3.89Å; P245-Y247 HydrophobicContact CB-CE1 3.42Å; P245-Y247 VanDerWaalsContact CB-CE1 3.42Å; P245-Y247 HydrophobicContact CB-CE2 4.32Å; P245-Y247 HydrophobicContact CG-CE1 4.34Å; P245-Y247 PolarHBondContact O-N 2.92Å
248H90.3Very high85.6Confident32 Ų3237.8 Ų37.815%0.14819%0.188CC..  trans-75.1148.4178.3-83.8-64.2000111.8T208 V209 D252 F253T208-H248 WeakPolarHBondContact CA-O 3.13Å; V209-H248 PolarHBondContact N-O 2.8Å; H248-D252 IonicContact ND1-OD2 3.03Å; H248-F253 HydrophobicContact CB-CE1 4.22Å; H248-F253 HydrophobicContact CB-CE2 3.6Å; H248-F253 HydrophobicContact CB-CZ 3.36Å; H248-F253 AromaticContact CG-CZ 3.94Å
249T91.1Very high84.6Confident23 Ų2342.5 Ų42.514%0.14121%0.205CC..BIsolated β-bridgetrans-93.6154.5173.6660000110.8G206 N207 T208 Y251 D252 F253G206-T249 WeakPolarHBondContact O-CG2 3.49Å; N207-T249 WeakPolarHBondContact O-CA 3.42Å; T208-T249 HydrophobicContact CG2-CG2 4.03Å; T249-Y251 PolarHBondContact O-N 3.28Å; T249-D252 PolarHBondContact N-OD2 2.88Å; T249-D252 PolarHBondContact O-N 2.82Å; T249-D252 VanDerWaalsContact O-N 3.14Å; T249-D252 PolarHBondContact OG1-N 3.39Å; T249-D252 PolarHBondContact OG1-OD1 3.02Å; T249-D252 PolarHBondContact OG1-OD2 3.33Å; T249-F253 WeakPolarHBondContact O-CD2 3.38Å
250F87.9Confident83.8Confident0 Ų042.1 Ų42.10%021%0.205CC..Hα-helixtrans-59.2-34172.1-65.3-78.9000111.4M185 V187 V203 K205 N207 V209 F212 F237 D252 F253 I254 F266M185-F250 HydrophobicContact CE-CB 3.82Å; M185-F250 HydrophobicContact CE-CD1 3.92Å; M185-F250 HydrophobicContact CE-CG 3.87Å; V187-F250 HydrophobicContact CG2-CE1 4.41Å; V203-F250 HydrophobicContact CG2-CD2 4.39Å; V203-F250 HydrophobicContact CG2-CE2 4.13Å; K205-F250 CarbonylContact O-C 3.56Å; K205-F250 WeakPolarHBondContact O-CB 3.47Å; K205-F250 PolarHBondContact O-N 3.29Å; N207-F250 VanDerWaalsContact O-CD2 3.29Å; N207-F250 WeakPolarHBondContact O-CD2 3.47Å; N207-F250 PolarHBondContact O-N 3.37Å; V209-F250 HydrophobicContact CG2-CE1 4.47Å; V209-F250 HydrophobicContact CG2-CZ 4.31Å; F212-F250 HydrophobicContact CB-CE2 3.65Å; F212-F250 HydrophobicContact CB-CZ 3.71Å; F212-F250 HydrophobicContact CD1-CZ 4.04Å; F212-F250 HydrophobicContact CD2-CZ 4.32Å; F212-F250 HydrophobicContact CG-CE2 4.18Å; F212-F250 AromaticContact CG-CZ 3.76Å; F212-F250 HydrophobicContact CG-CZ 3.76Å; F237-F250 HydrophobicContact CE1-CE1 4.35Å; F250-D252 VanDerWaalsContact C-N 3.34Å; F250-D252 PolarHBondContact O-N 2.97Å; F250-F253 PolarHBondContact O-N 3.39Å; F250-I254 VanDerWaalsContact O-CG1 3.31Å; F250-I254 WeakPolarHBondContact O-CG1 3.29Å; F250-I254 PolarHBondContact O-N 2.97Å; F250-F266 HydrophobicContact CD1-CE1 4.02Å; F250-F266 HydrophobicContact CD1-CE2 4.26Å; F250-F266 AromaticContact CD1-CZ 3.59Å; F250-F266 HydrophobicContact CD1-CZ 3.59Å; F250-F266 HydrophobicContact CE1-CE1 4.1Å; F250-F266 AromaticContact CE1-CZ 3.74Å; F250-F266 HydrophobicContact CE1-CZ 3.74Å
251Y88.1Confident83.1Confident20 Ų2043.5 Ų43.58%0.07821%0.211CC..Hα-helixtrans-56.6-41.1173.5-179.7-101.3000113.5V180 K181 K205 T249 F253 I254 I255V180-Y251 HydrophobicContact CB-CD2 4.43Å; V180-Y251 HydrophobicContact CB-CE2 3.95Å; V180-Y251 HydrophobicContact CG1-CD2 3.84Å; V180-Y251 HydrophobicContact CG1-CE2 3.6Å; K181-Y251 HydrophobicContact CG-CD1 4.15Å; K181-Y251 HydrophobicContact CG-CD2 3.85Å; K181-Y251 HydrophobicContact CG-CE2 4.33Å; K181-Y251 HydrophobicContact CG-CG 3.76Å; K205-Y251 WeakPolarHBondContact O-CB 3.32Å; K205-Y251 PolarHBondContact O-N 3.48Å; T249-Y251 PolarHBondContact O-N 3.28Å; Y251-F253 VanDerWaalsContact C-N 3.32Å; Y251-F253 PolarHBondContact O-N 2.89Å; Y251-I254 WeakPolarHBondContact O-CB 3.46Å; Y251-I254 PolarHBondContact O-N 2.74Å; Y251-I255 HydrophobicContact CD1-CD1 3.62Å; Y251-I255 HydrophobicContact CD1-CG1 4.41Å; Y251-I255 HydrophobicContact CE1-CD1 3.01Å; Y251-I255 HydrophobicContact CE1-CG1 3.94Å; Y251-I255 HydrophobicContact CE2-CD1 4.16Å; Y251-I255 HydrophobicContact CE2-CG1 4.22Å; Y251-I255 HydrophobicContact CG-CD1 4.4Å; Y251-I255 WeakPolarHBondContact O-CG1 3.48Å; Y251-I255 PolarHBondContact O-N 3Å; Y251-I255 WeakPolarHBondContact OH-CD1 3.33Å
252D87.7Confident82Confident56 Ų5645.4 Ų45.430%0.29923%0.225SC..Hα-helixtrans-65-39.5178.6-57-38.7000111.3H248 T249 F250 I254 I255 A256H248-D252 IonicContact ND1-OD2 3.03Å; T249-D252 PolarHBondContact N-OD2 2.88Å; T249-D252 PolarHBondContact O-N 2.82Å; T249-D252 VanDerWaalsContact O-N 3.14Å; T249-D252 PolarHBondContact OG1-N 3.39Å; T249-D252 PolarHBondContact OG1-OD1 3.02Å; T249-D252 PolarHBondContact OG1-OD2 3.33Å; F250-D252 VanDerWaalsContact C-N 3.34Å; F250-D252 PolarHBondContact O-N 2.97Å; D252-I254 VanDerWaalsContact C-N 3.31Å; D252-I254 PolarHBondContact O-N 2.92Å; D252-I255 PolarHBondContact O-N 2.93Å; D252-A256 VanDerWaalsContact O-CB 3.26Å; D252-A256 WeakPolarHBondContact O-CB 3.42Å; D252-A256 PolarHBondContact O-N 3.11Å
253F83.9Confident81Confident1 Ų146 Ų460%0.00423%0.234CC..Hα-helixtrans-68.2-30.6175.7-59.1-61.1000112.5V209 L244 H248 T249 F250 Y251 K257 A258 F266 Y313V209-F253 HydrophobicContact CG2-CE2 3.9Å; L244-F253 HydrophobicContact CB-CE2 4.35Å; L244-F253 HydrophobicContact CB-CZ 3.99Å; L244-F253 HydrophobicContact CD1-CD2 4.16Å; L244-F253 HydrophobicContact CD1-CE1 4.48Å; L244-F253 HydrophobicContact CD1-CE2 3.83Å; L244-F253 HydrophobicContact CD1-CZ 4Å; L244-F253 HydrophobicContact CD2-CD1 4.44Å; L244-F253 HydrophobicContact CD2-CE1 3.82Å; L244-F253 HydrophobicContact CD2-CZ 3.88Å; L244-F253 HydrophobicContact CG-CE2 4.46Å; L244-F253 HydrophobicContact CG-CZ 4.17Å; H248-F253 HydrophobicContact CB-CE1 4.22Å; H248-F253 HydrophobicContact CB-CE2 3.6Å; H248-F253 HydrophobicContact CB-CZ 3.36Å; H248-F253 AromaticContact CG-CZ 3.94Å; T249-F253 WeakPolarHBondContact O-CD2 3.38Å; F250-F253 PolarHBondContact O-N 3.39Å; Y251-F253 VanDerWaalsContact C-N 3.32Å; Y251-F253 PolarHBondContact O-N 2.89Å; F253-K257 PolarHBondContact O-N 2.98Å; F253-A258 HydrophobicContact CB-CB 4.43Å; F253-A258 HydrophobicContact CD1-CB 4.29Å; F253-A258 PolarHBondContact O-N 3.25Å; F253-F266 HydrophobicContact CB-CE2 4.23Å; F253-Y313 HydrophobicContact CD1-CD1 4.38Å; F253-Y313 AromaticContact CD1-CE1 3.89Å; F253-Y313 HydrophobicContact CD1-CE1 3.89Å; F253-Y313 HydrophobicContact CD1-CE2 4.15Å; F253-Y313 AromaticContact CD1-CZ 3.75Å; F253-Y313 AromaticContact CE1-CD1 3.54Å; F253-Y313 HydrophobicContact CE1-CD1 3.54Å; F253-Y313 HydrophobicContact CE1-CD2 4.24Å; F253-Y313 AromaticContact CE1-CE1 3.43Å; F253-Y313 HydrophobicContact CE1-CE1 3.43Å; F253-Y313 VanDerWaalsContact CE1-CE1 3.43Å; F253-Y313 HydrophobicContact CE1-CE2 4.17Å; F253-Y313 AromaticContact CE1-CG 3.92Å; F253-Y313 HydrophobicContact CE1-CG 3.92Å; F253-Y313 AromaticContact CE1-CZ 3.75Å; F253-Y313 HydrophobicContact CZ-CD1 4.43Å
254I82.1Confident80.1Confident30 Ų3046.8 Ų46.815%0.15424%0.24CC..Hα-helixtrans-63.5-55172.9-66.9168.9000110.6K205 F250 Y251 D252 A256 K257 F268K205-I254 HydrophobicContact CB-CD1 3.97Å; K205-I254 HydrophobicContact CD-CD1 3.42Å; K205-I254 VanDerWaalsContact CD-CD1 3.42Å; K205-I254 HydrophobicContact CG-CD1 3.63Å; F250-I254 VanDerWaalsContact O-CG1 3.31Å; F250-I254 WeakPolarHBondContact O-CG1 3.29Å; F250-I254 PolarHBondContact O-N 2.97Å; Y251-I254 WeakPolarHBondContact O-CB 3.46Å; Y251-I254 PolarHBondContact O-N 2.74Å; D252-I254 VanDerWaalsContact C-N 3.31Å; D252-I254 PolarHBondContact O-N 2.92Å; I254-A256 VanDerWaalsContact C-N 3.33Å; I254-A256 PolarHBondContact O-N 3.26Å; I254-K257 PolarHBondContact O-N 2.64Å; I254-F268 VanDerWaalsContact CA-CE2 3.47Å; I254-F268 HydrophobicContact CB-CD2 4.24Å; I254-F268 HydrophobicContact CB-CE1 4.4Å; I254-F268 HydrophobicContact CB-CE2 3.94Å; I254-F268 HydrophobicContact CB-CZ 4.02Å; I254-F268 HydrophobicContact CD1-CD1 3.74Å; I254-F268 HydrophobicContact CD1-CE1 3.49Å; I254-F268 VanDerWaalsContact CD1-CE1 3.49Å; I254-F268 HydrophobicContact CD1-CG 4.39Å; I254-F268 HydrophobicContact CD1-CZ 3.92Å; I254-F268 HydrophobicContact CG1-CD1 3.47Å; I254-F268 VanDerWaalsContact CG1-CD1 3.47Å; I254-F268 HydrophobicContact CG1-CD2 3.76Å; I254-F268 HydrophobicContact CG1-CE1 3.08Å; I254-F268 HydrophobicContact CG1-CE2 3.36Å; I254-F268 HydrophobicContact CG1-CG 3.79Å; I254-F268 HydrophobicContact CG1-CZ 2.98Å; I254-F268 HydrophobicContact CG2-CD2 4.22Å; I254-F268 HydrophobicContact CG2-CE2 4.44Å; I254-F268 HydrophobicContact CG2-CG 4.33Å
255I82.9Confident79Confident100 Ų10046.8 Ų46.851%0.51324%0.24SC..Hα-helixtrans-63-45.4-176.4-62.7162.5000110.4Y251 D252 K257Y251-I255 HydrophobicContact CD1-CD1 3.62Å; Y251-I255 HydrophobicContact CD1-CG1 4.41Å; Y251-I255 HydrophobicContact CE1-CD1 3.01Å; Y251-I255 HydrophobicContact CE1-CG1 3.94Å; Y251-I255 HydrophobicContact CE2-CD1 4.16Å; Y251-I255 HydrophobicContact CE2-CG1 4.22Å; Y251-I255 HydrophobicContact CG-CD1 4.4Å; Y251-I255 WeakPolarHBondContact O-CG1 3.48Å; Y251-I255 PolarHBondContact O-N 3Å; Y251-I255 WeakPolarHBondContact OH-CD1 3.33Å; D252-I255 PolarHBondContact O-N 2.93Å; I255-K257 PolarHBondContact O-N 2.74Å
256A78.8Confident77.9Confident57 Ų5746.6 Ų46.647%0.47124%0.237SC..THydrogen-bonded Turntrans-63.9-12.7179.500000112.3D252 I254 A258D252-A256 VanDerWaalsContact O-CB 3.26Å; D252-A256 WeakPolarHBondContact O-CB 3.42Å; D252-A256 PolarHBondContact O-N 3.11Å; I254-A256 VanDerWaalsContact C-N 3.33Å; I254-A256 PolarHBondContact O-N 3.26Å; A256-A258 HydrophobicContact CB-CB 4.46Å; A256-A258 PolarHBondContact O-N 3.07Å
257K73.2Confident76.3Confident173 Ų17349 Ų4975%0.75225%0.251SS*.THydrogen-bonded Turntrans43.647.3-168.9-63.6-174178.9-177.20109.6F253 I254 I255 R259F253-K257 PolarHBondContact O-N 2.98Å; I254-K257 PolarHBondContact O-N 2.64Å; I255-K257 PolarHBondContact O-N 2.74Å; K257-R259 PolarHBondContact O-N 2.94Å; K257-R259 VanDerWaalsContact O-N 3.1Å
258A69.8Low74.5Confident8 Ų843.7 Ų43.77%0.06623%0.231CC..  trans-54.8119.9-169.900000109.6F253 A256 L265 Y313F253-A258 HydrophobicContact CB-CB 4.43Å; F253-A258 HydrophobicContact CD1-CB 4.29Å; F253-A258 PolarHBondContact O-N 3.25Å; A256-A258 HydrophobicContact CB-CB 4.46Å; A256-A258 PolarHBondContact O-N 3.07Å; A258-L265 HydrophobicContact CB-CD1 3.62Å; A258-L265 HydrophobicContact CB-CG 4.27Å; A258-L265 WeakPolarHBondContact O-CB 3.49Å; A258-L265 WeakPolarHBondContact O-CG 3.26Å; A258-L265 PolarHBondContact O-N 2.94Å; A258-Y313 HydrophobicContact CB-CE2 3.65Å
259R68.8Low72Confident99 Ų9947.9 Ų47.937%0.37425%0.254SS..EExtended strand (participates in β ladder)trans-106.3132.8176.4-77.7-170.7164.2130.64.5108.9K257 W319K257-R259 PolarHBondContact O-N 2.94Å; K257-R259 VanDerWaalsContact O-N 3.1Å; R259-W319 HydrophobicContact CB-CB 4.32Å
260G69.3Low69.5Low4 Ų452.8 Ų52.84%0.04128%0.284CS..EExtended strand (participates in β ladder)trans-91.3-173.5165.500000111.1S262 G263G260-S262 VanDerWaalsContact C-N 3.25Å; G260-S262 PolarHBondContact O-N 3.4Å; G260-G263 PolarHBondContact N-O 3.04Å; G260-G263 PolarHBondContact O-N 2.69Å
261K67.8Low67Low40 Ų4059.7 Ų59.717%0.17432%0.316CS..THydrogen-bonded Turntrans-63.1-31.2177.1-55.9-174.4169161.10113.5E311 W319K261-E311 VanDerWaalsContact CE-OE1 3.28Å; K261-E311 WeakPolarHBondContact CE-OE1 3.42Å; K261-E311 VanDerWaalsContact NZ-CD 3.33Å; K261-E311 IonicContact NZ-OE1 3.82Å; K261-E311 PolarHBondContact NZ-OE1 2.97Å; K261-W319 HydrophobicContact CB-CE3 4.3Å; K261-W319 HydrophobicContact CB-CZ3 4.35Å; K261-W319 HydrophobicContact CD-CH2 3.8Å; K261-W319 HydrophobicContact CD-CZ2 4.36Å; K261-W319 HydrophobicContact CD-CZ3 3.97Å; K261-W319 HydrophobicContact CG-CD2 4.09Å; K261-W319 HydrophobicContact CG-CE3 3.69Å; K261-W319 HydrophobicContact CG-CH2 3.48Å; K261-W319 VanDerWaalsContact CG-CH2 3.48Å; K261-W319 HydrophobicContact CG-CZ2 3.78Å; K261-W319 HydrophobicContact CG-CZ3 3.42Å; K261-W319 VanDerWaalsContact CG-CZ3 3.42Å
262S60.6Low64.3Low59 Ų5965.5 Ų65.541%0.41335%0.349SS..THydrogen-bonded Turntrans-97.52.2-176.761.70000113.8E240 G260E240-S262 VanDerWaalsContact CB-OG 3.27Å; E240-S262 WeakPolarHBondContact CB-OG 3.46Å; E240-S262 WeakPolarHBondContact CG-OG 3.44Å; E240-S262 PolarHBondContact OE2-OG 2.75Å; G260-S262 VanDerWaalsContact C-N 3.25Å; G260-S262 PolarHBondContact O-N 3.4Å
263G64.8Low61.6Low19 Ų1970 Ų7020%0.19637%0.372CS..EExtended strand (participates in β ladder)trans128.9-166.8-179.700000114.3G260G260-G263 PolarHBondContact N-O 3.04Å; G260-G263 PolarHBondContact O-N 2.69Å
264P70.6Confident59.3Low41 Ų4174.8 Ų74.827%0.26640%0.401SS..EExtended strand (participates in β ladder)trans-57.2137.1177.4-21.232.9000112.2F266P264-F266 VanDerWaalsContact C-N 3.31Å; P264-F266 PolarHBondContact O-N 2.84Å
265L68.7Low57.4Low1 Ų183.8 Ų83.81%0.00543%0.433CS..SBendtrans-66.9-33.5179.4-75.2-176000112.9K239 E240 L242 L244 A258K239-L265 HydrophobicContact CB-CD2 4.12Å; K239-L265 WeakPolarHBondContact CE-O 3.33Å; K239-L265 HydrophobicContact CG-CB 4.28Å; K239-L265 HydrophobicContact CG-CD2 4Å; K239-L265 WeakPolarHBondContact CG-O 3.46Å; K239-L265 PolarHBondContact NZ-O 2.99Å; K239-L265 WeakPolarHBondContact O-CD2 3.36Å; E240-L265 HydrophobicContact CB-CD2 4.23Å; E240-L265 HydrophobicContact CG-CD2 4.27Å; L242-L265 HydrophobicContact CB-CD2 4.2Å; L242-L265 HydrophobicContact CD1-CD1 3.96Å; L242-L265 HydrophobicContact CD1-CD2 3.86Å; L242-L265 HydrophobicContact CD1-CG 4.18Å; L242-L265 HydrophobicContact CG-CD2 4.38Å; L244-L265 HydrophobicContact CD2-CD1 3.98Å; A258-L265 HydrophobicContact CB-CD1 3.62Å; A258-L265 HydrophobicContact CB-CG 4.27Å; A258-L265 WeakPolarHBondContact O-CB 3.49Å; A258-L265 WeakPolarHBondContact O-CG 3.26Å; A258-L265 PolarHBondContact O-N 2.94Å
266F67.7Low55.5Low21 Ų2185.4 Ų85.49%0.09244%0.442CS..SBendtrans-142.8137.7177-59-91.8000107.9F237 L244 F250 F253 P264 F268F237-F266 HydrophobicContact CE1-CZ 4.27Å; L244-F266 HydrophobicContact CD1-CE2 4.23Å; L244-F266 HydrophobicContact CD1-CZ 4.2Å; F250-F266 HydrophobicContact CD1-CE1 4.02Å; F250-F266 HydrophobicContact CD1-CE2 4.26Å; F250-F266 AromaticContact CD1-CZ 3.59Å; F250-F266 HydrophobicContact CD1-CZ 3.59Å; F250-F266 HydrophobicContact CE1-CE1 4.1Å; F250-F266 AromaticContact CE1-CZ 3.74Å; F250-F266 HydrophobicContact CE1-CZ 3.74Å; F253-F266 HydrophobicContact CB-CE2 4.23Å; P264-F266 VanDerWaalsContact C-N 3.31Å; P264-F266 PolarHBondContact O-N 2.84Å; F266-F268 HydrophobicContact CB-CD1 3.98Å; F266-F268 HydrophobicContact CB-CD2 3.98Å; F266-F268 HydrophobicContact CB-CE1 3.41Å; F266-F268 VanDerWaalsContact CB-CE1 3.41Å; F266-F268 HydrophobicContact CB-CE2 3.45Å; F266-F268 VanDerWaalsContact CB-CE2 3.45Å; F266-F268 HydrophobicContact CB-CG 4.24Å; F266-F268 HydrophobicContact CB-CZ 3.14Å; F266-F268 HydrophobicContact CD1-CE1 4.42Å; F266-F268 HydrophobicContact CD1-CZ 4.39Å; F266-F268 HydrophobicContact CD2-CE1 4.19Å; F266-F268 HydrophobicContact CD2-CE2 4.01Å; F266-F268 AromaticContact CD2-CZ 3.4Å; F266-F268 HydrophobicContact CD2-CZ 3.4Å; F266-F268 HydrophobicContact CE2-CZ 4.39Å; F266-F268 AromaticContact CG-CE1 3.79Å; F266-F268 HydrophobicContact CG-CE1 3.79Å; F266-F268 HydrophobicContact CG-CE2 4.1Å; F266-F268 AromaticContact CG-CZ 3.41Å; F266-F268 HydrophobicContact CG-CZ 3.41Å; F266-F268 VanDerWaalsContact CG-CZ 3.41Å; F266-F268 WeakPolarHBondContact O-CD2 3.04Å; F266-F268 PolarHBondContact O-N 3.49Å
267N58.3Low53.6Low78 Ų7890.3 Ų90.342%0.41746%0.46SS..  trans-81.299.8167.3-66.8-3.9000106.5D285 S287N267-D285 PolarHBondContact ND2-O 3.05Å; N267-D285 VanDerWaalsContact ND2-O 3.08Å; N267-S287 PolarHBondContact OD1-OG 3.27Å
268F53.3Low52.2Low55 Ų5588.5 Ų88.524%0.24147%0.469CS..  trans-8810.1176.7-61.8-64.2000112.6M185 I254 F266 V270M185-F268 HydrophobicContact CE-CE1 4.26Å; M185-F268 HydrophobicContact SD-CD1 4.03Å; M185-F268 HydrophobicContact SD-CE1 3.66Å; I254-F268 VanDerWaalsContact CA-CE2 3.47Å; I254-F268 HydrophobicContact CB-CD2 4.24Å; I254-F268 HydrophobicContact CB-CE1 4.4Å; I254-F268 HydrophobicContact CB-CE2 3.94Å; I254-F268 HydrophobicContact CB-CZ 4.02Å; I254-F268 HydrophobicContact CD1-CD1 3.74Å; I254-F268 HydrophobicContact CD1-CE1 3.49Å; I254-F268 VanDerWaalsContact CD1-CE1 3.49Å; I254-F268 HydrophobicContact CD1-CG 4.39Å; I254-F268 HydrophobicContact CD1-CZ 3.92Å; I254-F268 HydrophobicContact CG1-CD1 3.47Å; I254-F268 VanDerWaalsContact CG1-CD1 3.47Å; I254-F268 HydrophobicContact CG1-CD2 3.76Å; I254-F268 HydrophobicContact CG1-CE1 3.08Å; I254-F268 HydrophobicContact CG1-CE2 3.36Å; I254-F268 HydrophobicContact CG1-CG 3.79Å; I254-F268 HydrophobicContact CG1-CZ 2.98Å; I254-F268 HydrophobicContact CG2-CD2 4.22Å; I254-F268 HydrophobicContact CG2-CE2 4.44Å; I254-F268 HydrophobicContact CG2-CG 4.33Å; F266-F268 HydrophobicContact CB-CD1 3.98Å; F266-F268 HydrophobicContact CB-CD2 3.98Å; F266-F268 HydrophobicContact CB-CE1 3.41Å; F266-F268 VanDerWaalsContact CB-CE1 3.41Å; F266-F268 HydrophobicContact CB-CE2 3.45Å; F266-F268 VanDerWaalsContact CB-CE2 3.45Å; F266-F268 HydrophobicContact CB-CG 4.24Å; F266-F268 HydrophobicContact CB-CZ 3.14Å; F266-F268 HydrophobicContact CD1-CE1 4.42Å; F266-F268 HydrophobicContact CD1-CZ 4.39Å; F266-F268 HydrophobicContact CD2-CE1 4.19Å; F266-F268 HydrophobicContact CD2-CE2 4.01Å; F266-F268 AromaticContact CD2-CZ 3.4Å; F266-F268 HydrophobicContact CD2-CZ 3.4Å; F266-F268 HydrophobicContact CE2-CZ 4.39Å; F266-F268 AromaticContact CG-CE1 3.79Å; F266-F268 HydrophobicContact CG-CE1 3.79Å; F266-F268 HydrophobicContact CG-CE2 4.1Å; F266-F268 AromaticContact CG-CZ 3.41Å; F266-F268 HydrophobicContact CG-CZ 3.41Å; F266-F268 VanDerWaalsContact CG-CZ 3.41Å; F266-F268 WeakPolarHBondContact O-CD2 3.04Å; F266-F268 PolarHBondContact O-N 3.49Å; F268-V270 PolarHBondContact O-N 3.12Å
269D36.5Very low50.6Low120 Ų12093.1 Ų93.164%0.64249%0.493SS*.  trans-77.2112.7-178.5-141.5-7000109H271D269-H271 PolarHBondContact O-N 3.48Å; D269-H271 IonicContact OD1-CE1 3.86Å; D269-H271 PolarHBondContact OD1-CE1 3.24Å; D269-H271 IonicContact OD1-ND1 3.67Å; D269-H271 PolarHBondContact OD1-ND1 3.3Å; D269-H271 IonicContact OD2-CE1 2.73Å; D269-H271 IonicContact OD2-ND1 2.81Å; D269-H271 PolarHBondContact OD2-ND1 3.07Å
270V39.4Very low49.2Very low126 Ų12693.5 Ų93.576%0.76452%0.517SS*.  trans-73.658.2168.5-175.40000107.5F268F268-V270 PolarHBondContact O-N 3.12Å
271H35.9Very low48.1Very low146 Ų14699 Ų9968%0.67655%0.55SS**  trans-108.2110160.5-70.487.2000105.5D269D269-H271 PolarHBondContact O-N 3.48Å; D269-H271 IonicContact OD1-CE1 3.86Å; D269-H271 PolarHBondContact OD1-CE1 3.24Å; D269-H271 IonicContact OD1-ND1 3.67Å; D269-H271 PolarHBondContact OD1-ND1 3.3Å; D269-H271 IonicContact OD2-CE1 2.73Å; D269-H271 IonicContact OD2-ND1 2.81Å; D269-H271 PolarHBondContact OD2-ND1 3.07Å
272D29.6Very low46.7Very low142 Ų142104.4 Ų104.476%0.75958%0.578SS**  trans-28.2141.9153.6-84.9-57000110.8V274D272-V274 HydrophobicContact CB-CG2 3.95Å; D272-V274 PolarHBondContact O-N 3.2Å
273D32Very low45.9Very low149 Ų149107.3 Ų107.380%0.79759%0.585SS**  trans-55.170.6156.5-85.3-34.2000109.8R275D273-R275 PolarHBondContact O-N 3.13Å
274V35.2Very low44.8Very low102 Ų102115.5 Ų115.562%0.61862%0.615SS**  trans-79.583162.6-175.60000105.2D272 L276D272-V274 HydrophobicContact CB-CG2 3.95Å; D272-V274 PolarHBondContact O-N 3.2Å; V274-L276 HydrophobicContact CG1-CB 4.2Å; V274-L276 HydrophobicContact CG1-CD1 3.71Å; V274-L276 HydrophobicContact CG1-CG 3.97Å; V274-L276 PolarHBondContact O-N 3.4Å
275R43.3Very low43.8Very low219 Ų219117.9 Ų117.983%0.82663%0.625SS**  trans-5586.7159.9-75.4-176.7169.9101.5-0.3109.1D273D273-R275 PolarHBondContact O-N 3.13Å
276L42.1Very low42.8Very low134 Ų134124.8 Ų124.870%0.70266%0.658SS**  trans-138.2102.1164.6-78.2171.3000109.3V274V274-L276 HydrophobicContact CG1-CB 4.2Å; V274-L276 HydrophobicContact CG1-CD1 3.71Å; V274-L276 HydrophobicContact CG1-CG 3.97Å; V274-L276 PolarHBondContact O-N 3.4Å
277L38.9Very low42.5Very low161 Ų161125.9 Ų125.984%0.84367%0.668SS**  trans70.1121.1158.9-68.1142.9000116.5D279L277-D279 PolarHBondContact O-N 3.21Å
278S43.2Very low42.9Very low135 Ų135127.1 Ų127.194%0.94467%0.671SS**  trans-60.494.7176.5-49.60000111.4
279D36.5Very low44.1Very low105 Ų105125.5 Ų125.556%0.56167%0.668SS**  trans-96.7121165.6-158.9-29.2000108.9L277 T281L277-D279 PolarHBondContact O-N 3.21Å; D279-T281 PolarHBondContact O-N 2.96Å; D279-T281 PolarHBondContact OD1-N 2.95Å; D279-T281 PolarHBondContact OD1-OG1 3.27Å
280A39.8Very low46.4Very low107 Ų107119.8 Ų119.888%0.88464%0.637SS**THydrogen-bonded Turntrans-80.97.3-173.200000113.5
281T45.1Very low48.7Very low119 Ų119115.8 Ų115.873%0.7361%0.61SS**THydrogen-bonded Turntrans-98.5-11.3179.756.50000114D279D279-T281 PolarHBondContact O-N 2.96Å; D279-T281 PolarHBondContact OD1-N 2.95Å; D279-T281 PolarHBondContact OD1-OG1 3.27Å
282M40.3Very low51.3Low153 Ų153108.9 Ų108.975%0.75458%0.578SS**SBendtrans-95.3122.1174.9-80.7169.86000110K284M282-K284 PolarHBondContact O-N 2.78Å
283E43.1Very low54.2Low121 Ų121102.1 Ų102.157%0.56554%0.541SS*.  trans-52124.7171.6-70-175.9141.800108.9D285E283-D285 PolarHBondContact O-N 3.09Å
284K41.8Very low56.9Low191 Ų19196 Ų9683%0.8351%0.509SS*.  trans-67.290.6167.9-92.2-176.7173.4-178.30107.6M282 E286M282-K284 PolarHBondContact O-N 2.78Å; K284-E286 PolarHBondContact O-N 2.92Å
285D48.9Very low59.5Low90 Ų9095.9 Ų95.948%0.48150%0.497SS..  trans-74.366179.9-79.9-31.2000111.3N267 E283 S287N267-D285 PolarHBondContact ND2-O 3.05Å; N267-D285 VanDerWaalsContact ND2-O 3.08Å; E283-D285 PolarHBondContact O-N 3.09Å; D285-S287 PolarHBondContact O-N 3.29Å
286E48Very low61.7Low147 Ų14787.5 Ų87.569%0.68747%0.472SS*.  trans-73.376.3169.2-74.4-174.9-178.300109.9K284 H288K284-E286 PolarHBondContact O-N 2.92Å; E286-H288 PolarHBondContact O-N 3.24Å
287S61.7Low63.9Low44 Ų4483.8 Ų83.831%0.30845%0.449SS..  trans-50.7111.3164.3-97.90000109N267 D285N267-S287 PolarHBondContact OD1-OG 3.27Å; D285-S287 PolarHBondContact O-N 3.29Å
288H66.6Low66.3Low104 Ų10478.1 Ų78.148%0.48142%0.417SS..PPolyproline II helixtrans-64.6140.5178.9-68.8-54.9000110.2K239 E240 E286 G290K239-H288 WeakPolarHBondContact CD-O 3.45Å; K239-H288 WeakPolarHBondContact CE-O 3.36Å; K239-H288 PolarHBondContact NZ-O 2.97Å; E240-H288 WeakPolarHBondContact OE1-CA 3.41Å; E240-H288 WeakPolarHBondContact OE1-CB 3.32Å; E240-H288 PolarHBondContact OE1-N 2.71Å; E240-H288 IonicContact OE2-CD2 3.62Å; E240-H288 PolarHBondContact OE2-CD2 2.8Å; E240-H288 VanDerWaalsContact OE2-CD2 3.3Å; E240-H288 IonicContact OE2-CG 3.57Å; E286-H288 PolarHBondContact O-N 3.24Å; H288-G290 PolarHBondContact O-N 3.34Å
289A78Confident68.6Low21 Ų2177 Ų7717%0.17440%0.396CS..PPolyproline II helixtrans-54.6138.1174.900000110.7T188T188-A289 HydrophobicContact CG2-CB 3.85Å
290G85.3Confident71.1Confident0 Ų079.2 Ų79.20%040%0.401CS..EExtended strand (participates in β ladder)trans-62142.8178.400000110.7T188 F189 S190 I238 H288T188-G290 PolarHBondContact O-N 3.36Å; F189-G290 CarbonylContact C-O 3.42Å; F189-G290 VanDerWaalsContact C-O 3.31Å; F189-G290 WeakPolarHBondContact CA-O 3.37Å; F189-G290 WeakPolarHBondContact CB-O 3.48Å; S190-G290 PolarHBondContact N-O 2.73Å; I238-G290 CarbonylContact O-C 3.57Å; I238-G290 WeakPolarHBondContact O-CA 3.46Å; H288-G290 PolarHBondContact O-N 3.34Å
291K88.3Confident73.5Confident42 Ų4276.1 Ų76.118%0.18337%0.369CS..EExtended strand (participates in β ladder)trans-99.1132.6177.7-55.2-178.9-173.975.20109.2S190 I238 V293 W310S190-K291 CarbonylContact O-C 3.53Å; S190-K291 WeakPolarHBondContact O-CA 3.42Å; I238-K291 HydrophobicContact CB-CB 4.35Å; I238-K291 PolarHBondContact N-O 3.42Å; I238-K291 PolarHBondContact O-N 2.96Å; K291-V293 HydrophobicContact CB-CG2 4.4Å; K291-W310 HydrophobicContact CD-CZ2 3.94Å
292V90.3Very high75.5Confident0 Ų076.3 Ų76.30%036%0.36CS..EExtended strand (participates in β ladder)trans-108.2121.2172.8176.20000107.7F189 S190 Y191 W192 F212 L213 L235 M236 F237F189-V292 HydrophobicContact CB-CG2 4.09Å; F189-V292 HydrophobicContact CD2-CB 4.19Å; F189-V292 HydrophobicContact CD2-CG2 3.52Å; F189-V292 HydrophobicContact CE2-CG2 4.27Å; F189-V292 HydrophobicContact CG-CG2 4Å; S190-V292 PolarHBondContact O-N 2.95Å; Y191-V292 WeakPolarHBondContact CA-O 3.46Å; Y191-V292 HydrophobicContact CD2-CG1 4.36Å; Y191-V292 WeakPolarHBondContact CD2-O 3.49Å; W192-V292 PolarHBondContact N-O 3.26Å; F212-V292 HydrophobicContact CE1-CG2 4.45Å; L213-V292 HydrophobicContact CD2-CG1 3.95Å; L213-V292 HydrophobicContact CD2-CG2 4.02Å; L235-V292 HydrophobicContact CD1-CG1 4.36Å; L235-V292 HydrophobicContact CD2-CG1 3.94Å; M236-V292 WeakPolarHBondContact O-CA 3.34Å; F237-V292 HydrophobicContact CD2-CG2 3.91Å; F237-V292 HydrophobicContact CE2-CG2 4.48Å
293V89.8Confident77.7Confident0 Ų075.6 Ų75.60%036%0.355CS..EExtended strand (participates in β ladder)trans-133.4144.4-169.3176.50000109.5W192 L235 M236 I238 K291 W297 W310W192-V293 HydrophobicContact CB-CG2 3.94Å; L235-V293 CarbonylContact C-O 3.58Å; M236-V293 PolarHBondContact N-O 2.87Å; M236-V293 PolarHBondContact O-N 2.72Å; I238-V293 HydrophobicContact CD1-CB 3.81Å; I238-V293 HydrophobicContact CD1-CG2 3.69Å; K291-V293 HydrophobicContact CB-CG2 4.4Å; V293-W297 HydrophobicContact CG1-CB 4.35Å; V293-W297 HydrophobicContact CG1-CD2 4.01Å; V293-W297 HydrophobicContact CG1-CE3 3.24Å; V293-W297 HydrophobicContact CG1-CG 4.49Å; V293-W297 HydrophobicContact CG1-CZ3 3.86Å; V293-W310 HydrophobicContact CG1-CZ3 4.42Å; V293-W310 HydrophobicContact CG2-CH2 3.84Å; V293-W310 HydrophobicContact CG2-CZ3 3.98Å
294L89.9Confident79.8Confident21 Ų2173.9 Ų73.911%0.1135%0.349CS..EExtended strand (participates in β ladder)trans-72.8135.7169.4-74.7166.3000110.9L227 A230 Q234 L235 S296 W297 Y298L227-L294 HydrophobicContact CD2-CD1 4.32Å; L227-L294 HydrophobicContact CD2-CD2 4.05Å; L227-L294 HydrophobicContact CD2-CG 4.29Å; A230-L294 HydrophobicContact CB-CD2 3.97Å; Q234-L294 HydrophobicContact CG-CD2 4.11Å; Q234-L294 CarbonylContact O-C 3.53Å; L235-L294 HydrophobicContact CD2-CD2 3.82Å; L235-L294 HydrophobicContact CD2-CG 4.27Å; L294-S296 VanDerWaalsContact C-N 3.26Å; L294-S296 PolarHBondContact O-N 2.77Å; L294-W297 HydrophobicContact CB-CB 4.14Å; L294-W297 WeakPolarHBondContact O-CA 3.46Å; L294-W297 WeakPolarHBondContact O-CB 3.32Å; L294-W297 PolarHBondContact O-N 3.06Å; L294-Y298 PolarHBondContact O-N 3.01Å
295R89.6Confident81.6Confident99 Ų9972.6 Ų72.637%0.37434%0.343SS..Hα-helixtrans-53-44.1175.4-177.9-178.9-62-78.1-3.7112.1Q234 M236 W297 Y298 E299Q234-R295 HydrophobicContact CG-CB 4.25Å; Q234-R295 VanDerWaalsContact O-CB 3.3Å; Q234-R295 WeakPolarHBondContact O-CB 3.3Å; Q234-R295 PolarHBondContact O-N 3.43Å; M236-R295 HydrophobicContact CE-CB 4.33Å; M236-R295 HydrophobicContact CG-CB 4.44Å; M236-R295 HydrophobicContact SD-CB 4.36Å; M236-R295 HydrophobicContact SD-CG 4.34Å; R295-W297 VanDerWaalsContact C-N 3.27Å; R295-W297 PolarHBondContact O-N 3.35Å; R295-Y298 PolarHBondContact O-N 2.99Å; R295-E299 WeakPolarHBondContact CG-OE1 3.39Å; R295-E299 WeakPolarHBondContact O-CG 3.37Å; R295-E299 PolarHBondContact O-N 2.93Å
296S89.4Confident83.3Confident43 Ų4370 Ų7030%0.30133%0.331SS..Hα-helixtrans-62.8-31.9176.648.50000113.2Q234 L294 K300Q234-S296 PolarHBondContact NE2-OG 3.21Å; L294-S296 VanDerWaalsContact C-N 3.26Å; L294-S296 PolarHBondContact O-N 2.77Å; S296-K300 WeakPolarHBondContact O-CD 3.37Å; S296-K300 VanDerWaalsContact O-CG 3.32Å; S296-K300 WeakPolarHBondContact O-CG 3.28Å
297W88.6Confident85Confident57 Ų5763 Ų6322%0.21630%0.299CS..Hα-helixtrans-73.4-44.8174.1-178.199.7000110.7W192 V293 L294 R295 K300 N301 A307 W310W192-W297 AromaticContact CD1-CE2 3.9Å; W192-W297 AromaticContact CD1-CH2 3.35Å; W192-W297 AromaticContact CD1-CZ2 3.35Å; W192-W297 AromaticContact CD1-CZ3 3.92Å; W192-W297 AromaticContact NE1-CH2 3.22Å; W192-W297 AromaticContact NE1-CZ2 3.17Å; V293-W297 HydrophobicContact CG1-CB 4.35Å; V293-W297 HydrophobicContact CG1-CD2 4.01Å; V293-W297 HydrophobicContact CG1-CE3 3.24Å; V293-W297 HydrophobicContact CG1-CG 4.49Å; V293-W297 HydrophobicContact CG1-CZ3 3.86Å; L294-W297 HydrophobicContact CB-CB 4.14Å; L294-W297 WeakPolarHBondContact O-CA 3.46Å; L294-W297 WeakPolarHBondContact O-CB 3.32Å; L294-W297 PolarHBondContact O-N 3.06Å; R295-W297 VanDerWaalsContact C-N 3.27Å; R295-W297 PolarHBondContact O-N 3.35Å; W297-K300 PolarHBondContact O-N 2.99Å; W297-N301 HydrophobicContact CD2-CB 4.39Å; W297-N301 HydrophobicContact CE3-CB 4.29Å; W297-N301 HydrophobicContact CH2-CB 4.09Å; W297-N301 HydrophobicContact CZ2-CB 4.17Å; W297-N301 WeakPolarHBondContact CZ2-ND2 3.15Å; W297-N301 HydrophobicContact CZ3-CB 4.16Å; W297-N301 PolarHBondContact NE1-ND2 2.8Å; W297-N301 VanDerWaalsContact NE1-ND2 3.13Å; W297-N301 WeakPolarHBondContact O-CB 3.47Å; W297-N301 PolarHBondContact O-N 3.45Å; W297-N301 PolarHBondContact O-ND2 2.83Å; W297-A307 HydrophobicContact CZ3-CB 4.26Å; W297-W310 HydrophobicContact CZ3-CH2 4.01Å; W297-W310 HydrophobicContact CZ3-CZ3 4.13Å
298Y89.5Confident86.2Confident42 Ų4264.1 Ų64.117%0.16531%0.306CS..Hα-helixtrans-62.5-45.3179.7174.3-107.3000112M236 I243 L294 R295 K300 N301 K302 A307 W310M236-Y298 HydrophobicContact CE-CD1 3.39Å; M236-Y298 HydrophobicContact CE-CD2 4.3Å; M236-Y298 HydrophobicContact CE-CE1 4.3Å; M236-Y298 HydrophobicContact CE-CG 3.37Å; M236-Y298 HydrophobicContact SD-CD1 4.42Å; I243-Y298 HydrophobicContact CD1-CE1 4.03Å; I243-Y298 HydrophobicContact CD1-CE2 4.12Å; I243-Y298 WeakPolarHBondContact CD1-OH 3.41Å; L294-Y298 PolarHBondContact O-N 3.01Å; R295-Y298 PolarHBondContact O-N 2.99Å; Y298-K300 PolarHBondContact O-N 3.24Å; Y298-N301 CarbonylContact O-C 3.54Å; Y298-N301 PolarHBondContact O-N 2.81Å; Y298-N301 VanDerWaalsContact O-N 3.11Å; Y298-K302 HydrophobicContact CD2-CB 4.45Å; Y298-K302 HydrophobicContact CE1-CB 4.44Å; Y298-K302 HydrophobicContact CE2-CB 4.1Å; Y298-K302 WeakPolarHBondContact O-CA 3.49Å; Y298-K302 VanDerWaalsContact O-CB 3.26Å; Y298-K302 WeakPolarHBondContact O-CB 3.47Å; Y298-K302 PolarHBondContact O-N 3.28Å; Y298-A307 HydrophobicContact CD2-CB 4.2Å; Y298-A307 HydrophobicContact CE2-CB 4.28Å; Y298-W310 AromaticContact CD2-CE3 3.48Å; Y298-W310 HydrophobicContact CD2-CE3 3.48Å; Y298-W310 VanDerWaalsContact CD2-CE3 3.48Å; Y298-W310 AromaticContact CD2-CZ3 3.68Å; Y298-W310 HydrophobicContact CD2-CZ3 3.68Å; Y298-W310 HydrophobicContact CE2-CB 4.29Å; Y298-W310 HydrophobicContact CE2-CD2 4.35Å; Y298-W310 AromaticContact CE2-CE3 3.48Å; Y298-W310 HydrophobicContact CE2-CE3 3.48Å; Y298-W310 VanDerWaalsContact CE2-CE3 3.48Å; Y298-W310 HydrophobicContact CE2-CZ3 4.16Å
299E89.8Confident87.1Confident111 Ų11164 Ų6452%0.51930%0.302SS..Hα-helixtrans-60.7-35.8-179.6-75173.2-175.600112.8R295R295-E299 WeakPolarHBondContact CG-OE1 3.39Å; R295-E299 WeakPolarHBondContact O-CG 3.37Å; R295-E299 PolarHBondContact O-N 2.93Å
300K90.5Very high87.6Confident151 Ų15163.6 Ų63.666%0.65730%0.296SS*.Hα-helixtrans-71.1-42.3174.5-68.5175.2-176.3-178.10111.6S296 W297 Y298 H303S296-K300 WeakPolarHBondContact O-CD 3.37Å; S296-K300 VanDerWaalsContact O-CG 3.32Å; S296-K300 WeakPolarHBondContact O-CG 3.28Å; W297-K300 PolarHBondContact O-N 2.99Å; Y298-K300 PolarHBondContact O-N 3.24Å; K300-H303 PolarHBondContact O-CE1 3.14Å; K300-H303 PolarHBondContact O-ND1 3.3Å
301N88.8Confident87.6Confident42 Ų4266.5 Ų66.523%0.22531%0.309CS..Hα-helixtrans-103.84.2-168.8-63.3-33.2000114.9W297 Y298 H303 I304 A307W297-N301 HydrophobicContact CD2-CB 4.39Å; W297-N301 HydrophobicContact CE3-CB 4.29Å; W297-N301 HydrophobicContact CH2-CB 4.09Å; W297-N301 HydrophobicContact CZ2-CB 4.17Å; W297-N301 WeakPolarHBondContact CZ2-ND2 3.15Å; W297-N301 HydrophobicContact CZ3-CB 4.16Å; W297-N301 PolarHBondContact NE1-ND2 2.8Å; W297-N301 VanDerWaalsContact NE1-ND2 3.13Å; W297-N301 WeakPolarHBondContact O-CB 3.47Å; W297-N301 PolarHBondContact O-N 3.45Å; W297-N301 PolarHBondContact O-ND2 2.83Å; Y298-N301 CarbonylContact O-C 3.54Å; Y298-N301 PolarHBondContact O-N 2.81Å; Y298-N301 VanDerWaalsContact O-N 3.11Å; N301-H303 PolarHBondContact O-N 3.1Å; N301-I304 PolarHBondContact O-N 3.45Å; N301-A307 WeakPolarHBondContact O-CB 3.43Å
302K88.4Confident87.6Confident123 Ų12368.1 Ų68.154%0.53533%0.33SS..THydrogen-bonded Turntrans-58.5-16-179.366.3178.1-177.1178.70114.5Y298 S308Y298-K302 HydrophobicContact CD2-CB 4.45Å; Y298-K302 HydrophobicContact CE1-CB 4.44Å; Y298-K302 HydrophobicContact CE2-CB 4.1Å; Y298-K302 WeakPolarHBondContact O-CA 3.49Å; Y298-K302 VanDerWaalsContact O-CB 3.26Å; Y298-K302 WeakPolarHBondContact O-CB 3.47Å; Y298-K302 PolarHBondContact O-N 3.28Å; K302-S308 WeakPolarHBondContact O-CA 3.27Å; K302-S308 WeakPolarHBondContact O-CB 3.49Å; K302-S308 PolarHBondContact O-N 3.28Å
303H85.8Confident87.4Confident139 Ų13969.4 Ų69.464%0.64434%0.336SS*.THydrogen-bonded Turntrans-90.8-9.3177.663.4-80.7000112.7K300 N301K300-H303 PolarHBondContact O-CE1 3.14Å; K300-H303 PolarHBondContact O-ND1 3.3Å; N301-H303 PolarHBondContact O-N 3.1Å
304I87.8Confident87.1Confident85 Ų8573.1 Ų73.144%0.43636%0.356SS..SBendtrans-104141.1-176.7-52.3177.4000108.9N301 A307 S308N301-I304 PolarHBondContact O-N 3.45Å; I304-A307 PolarHBondContact O-N 2.89Å; I304-S308 PolarHBondContact O-N 3.34Å; I304-S308 VanDerWaalsContact O-N 3.09Å
305F79.9Confident86.6Confident164 Ų16475.8 Ų75.872%0.71937%0.374SS*.THydrogen-bonded Turntrans-66.6135.5173.5179.9-93.6000110.7
306P82.9Confident86Confident34 Ų3479.4 Ų79.422%0.22140%0.395CS..THydrogen-bonded Turncis-92.6-4.98.135.8-36.2000115.4S308 R309 W310P306-S308 PolarHBondContact O-N 3.48Å; P306-R309 PolarHBondContact O-N 3.29Å; P306-R309 VanDerWaalsContact O-N 3.1Å; P306-W310 HydrophobicContact CG-CZ2 4.21Å; P306-W310 PolarHBondContact O-NE1 3.04Å
307A84.9Confident85.3Confident1 Ų182 Ų821%0.00840%0.401CS..G310 helixtrans-62.5-27.5-174.600000113.4W297 Y298 N301 I304 R309 W310W297-A307 HydrophobicContact CZ3-CB 4.26Å; Y298-A307 HydrophobicContact CD2-CB 4.2Å; Y298-A307 HydrophobicContact CE2-CB 4.28Å; N301-A307 WeakPolarHBondContact O-CB 3.43Å; I304-A307 PolarHBondContact O-N 2.89Å; A307-R309 PolarHBondContact O-N 2.94Å; A307-W310 HydrophobicContact CB-CD2 4.32Å; A307-W310 HydrophobicContact CB-CE3 4.01Å; A307-W310 HydrophobicContact CB-CH2 4.11Å; A307-W310 HydrophobicContact CB-CZ2 4.43Å; A307-W310 HydrophobicContact CB-CZ3 3.91Å; A307-W310 PolarHBondContact O-N 3.32Å
308S85.4Confident84.2Confident67 Ų6788.3 Ų88.347%0.46943%0.43SS..G310 helixtrans-63.2-18.8175.362.50000115.3K302 I304 P306K302-S308 WeakPolarHBondContact O-CA 3.27Å; K302-S308 WeakPolarHBondContact O-CB 3.49Å; K302-S308 PolarHBondContact O-N 3.28Å; I304-S308 PolarHBondContact O-N 3.34Å; I304-S308 VanDerWaalsContact O-N 3.09Å; P306-S308 PolarHBondContact O-N 3.48Å
309R85.5Confident83Confident103 Ų10389.4 Ų89.439%0.38943%0.434SS..G310 helixtrans-88.5-15.1179.4-171.2169166.188-3.1112.9D241 P306 A307 E311D241-R309 HydrophobicContact CB-CG 4.45Å; D241-R309 VanDerWaalsContact CG-NE 3.32Å; D241-R309 WeakPolarHBondContact OD1-CD 3.33Å; D241-R309 IonicContact OD1-NE 3.52Å; D241-R309 PolarHBondContact OD1-NE 3.14Å; D241-R309 IonicContact OD2-CZ 3.57Å; D241-R309 IonicContact OD2-NE 3.6Å; D241-R309 PolarHBondContact OD2-NE 3.2Å; D241-R309 IonicContact OD2-NH2 2.91Å; D241-R309 PolarHBondContact OD2-NH2 3.43Å; P306-R309 PolarHBondContact O-N 3.29Å; P306-R309 VanDerWaalsContact O-N 3.1Å; A307-R309 PolarHBondContact O-N 2.94Å; R309-E311 PolarHBondContact O-N 3.4Å
310W88.9Confident81.4Confident11 Ų1191.6 Ų91.64%0.04245%0.449CS..  trans-73.1126.2-173.3-57.9-15.7000111.3I238 D241 I243 K291 V293 W297 Y298 P306 A307I238-W310 HydrophobicContact CB-CD2 4.47Å; I238-W310 HydrophobicContact CD1-CE3 3.96Å; I238-W310 HydrophobicContact CD1-CH2 4.37Å; I238-W310 HydrophobicContact CD1-CZ3 3.8Å; I238-W310 HydrophobicContact CG1-CD2 4.04Å; I238-W310 HydrophobicContact CG1-CE3 3.74Å; I238-W310 HydrophobicContact CG1-CZ3 4.09Å; I238-W310 HydrophobicContact CG2-CD2 3.84Å; I238-W310 HydrophobicContact CG2-CE3 4.41Å; I238-W310 HydrophobicContact CG2-CG 3.9Å; D241-W310 CarbonylContact O-C 3.31Å; D241-W310 VanDerWaalsContact O-CA 3.25Å; D241-W310 WeakPolarHBondContact O-CA 3.22Å; I243-W310 HydrophobicContact CD1-CB 4.02Å; I243-W310 HydrophobicContact CG1-CB 3.92Å; K291-W310 HydrophobicContact CD-CZ2 3.94Å; V293-W310 HydrophobicContact CG1-CZ3 4.42Å; V293-W310 HydrophobicContact CG2-CH2 3.84Å; V293-W310 HydrophobicContact CG2-CZ3 3.98Å; W297-W310 HydrophobicContact CZ3-CH2 4.01Å; W297-W310 HydrophobicContact CZ3-CZ3 4.13Å; Y298-W310 AromaticContact CD2-CE3 3.48Å; Y298-W310 HydrophobicContact CD2-CE3 3.48Å; Y298-W310 VanDerWaalsContact CD2-CE3 3.48Å; Y298-W310 AromaticContact CD2-CZ3 3.68Å; Y298-W310 HydrophobicContact CD2-CZ3 3.68Å; Y298-W310 HydrophobicContact CE2-CB 4.29Å; Y298-W310 HydrophobicContact CE2-CD2 4.35Å; Y298-W310 AromaticContact CE2-CE3 3.48Å; Y298-W310 HydrophobicContact CE2-CE3 3.48Å; Y298-W310 VanDerWaalsContact CE2-CE3 3.48Å; Y298-W310 HydrophobicContact CE2-CZ3 4.16Å; P306-W310 HydrophobicContact CG-CZ2 4.21Å; P306-W310 PolarHBondContact O-NE1 3.04Å; A307-W310 HydrophobicContact CB-CD2 4.32Å; A307-W310 HydrophobicContact CB-CE3 4.01Å; A307-W310 HydrophobicContact CB-CH2 4.11Å; A307-W310 HydrophobicContact CB-CZ2 4.43Å; A307-W310 HydrophobicContact CB-CZ3 3.91Å; A307-W310 PolarHBondContact O-N 3.32Å
311E86.1Confident79.7Confident61 Ų6191.5 Ų91.529%0.28545%0.449SS..EExtended strand (participates in β ladder)trans-112.8150.3176.4-69-176.9-170.900110.2D241 L242 I243 K261 R309 K317 W319D241-E311 PolarHBondContact O-N 2.86Å; L242-E311 CarbonylContact C-O 3.58Å; L242-E311 WeakPolarHBondContact CA-O 3.35Å; L242-E311 HydrophobicContact CD2-CB 4.29Å; I243-E311 PolarHBondContact N-O 3.47Å; K261-E311 VanDerWaalsContact CE-OE1 3.28Å; K261-E311 WeakPolarHBondContact CE-OE1 3.42Å; K261-E311 VanDerWaalsContact NZ-CD 3.33Å; K261-E311 IonicContact NZ-OE1 3.82Å; K261-E311 PolarHBondContact NZ-OE1 2.97Å; R309-E311 PolarHBondContact O-N 3.4Å; E311-K317 IonicContact OE2-NZ 3.11Å; E311-K317 PolarHBondContact OE2-NZ 2.98Å; E311-W319 WeakPolarHBondContact OE2-CZ2 3.17Å
312A87.7Confident77.6Confident76 Ų7697.5 Ų97.563%0.62847%0.469SS*.EExtended strand (participates in β ladder)trans-64.5137.7169.400000109.6D314A312-D314 PolarHBondContact O-N 3.44Å
313Y86.7Confident75.2Confident28 Ų2897.6 Ų97.611%0.1148%0.48CS..  trans-63.6125.1174.3177.1-104000110.7L242 I243 L244 F253 A258 P315L242-Y313 HydrophobicContact CD1-CD2 4.04Å; I243-Y313 WeakPolarHBondContact O-CB 3.36Å; I243-Y313 PolarHBondContact O-N 3.43Å; L244-Y313 HydrophobicContact CD2-CD2 4.43Å; L244-Y313 HydrophobicContact CD2-CG 4.29Å; F253-Y313 HydrophobicContact CD1-CD1 4.38Å; F253-Y313 AromaticContact CD1-CE1 3.89Å; F253-Y313 HydrophobicContact CD1-CE1 3.89Å; F253-Y313 HydrophobicContact CD1-CE2 4.15Å; F253-Y313 AromaticContact CD1-CZ 3.75Å; F253-Y313 AromaticContact CE1-CD1 3.54Å; F253-Y313 HydrophobicContact CE1-CD1 3.54Å; F253-Y313 HydrophobicContact CE1-CD2 4.24Å; F253-Y313 AromaticContact CE1-CE1 3.43Å; F253-Y313 HydrophobicContact CE1-CE1 3.43Å; F253-Y313 VanDerWaalsContact CE1-CE1 3.43Å; F253-Y313 HydrophobicContact CE1-CE2 4.17Å; F253-Y313 AromaticContact CE1-CG 3.92Å; F253-Y313 HydrophobicContact CE1-CG 3.92Å; F253-Y313 AromaticContact CE1-CZ 3.75Å; F253-Y313 HydrophobicContact CZ-CD1 4.43Å; A258-Y313 HydrophobicContact CB-CE2 3.65Å; Y313-P315 HydrophobicContact CD1-CG 4.31Å; Y313-P315 HydrophobicContact CE1-CB 4.22Å; Y313-P315 HydrophobicContact CE1-CG 3.8Å
314D83.1Confident73.2Confident78 Ų7896.9 Ų96.942%0.41748%0.48SS..  trans-117.2117.5172.3-172.6-15.6000108.4A312 E316 K317A312-D314 PolarHBondContact O-N 3.44Å; D314-E316 PolarHBondContact O-N 3.33Å; D314-E316 PolarHBondContact OD1-N 2.67Å; D314-E316 VanDerWaalsContact OD1-N 3.1Å; D314-K317 HydrophobicContact CB-CB 4.01Å; D314-K317 PolarHBondContact O-N 2.99Å
315P79.9Confident70.6Confident77 Ų77107.5 Ų107.550%0.552%0.515SS..THydrogen-bonded Turntrans-58.9-26.6179.6-2230.9000114.6Y313Y313-P315 HydrophobicContact CD1-CG 4.31Å; Y313-P315 HydrophobicContact CE1-CB 4.22Å; Y313-P315 HydrophobicContact CE1-CG 3.8Å
316E77.3Confident70.2Confident175 Ų175104.7 Ų104.782%0.81850%0.504SS*.THydrogen-bonded Turntrans-84.1-22.7-176.4-61.4-169160.800112.4D314 K318D314-E316 PolarHBondContact O-N 3.33Å; D314-E316 PolarHBondContact OD1-N 2.67Å; D314-E316 VanDerWaalsContact OD1-N 3.1Å; E316-K318 PolarHBondContact O-N 3.07Å; E316-K318 VanDerWaalsContact O-N 3.13Å
317K73.8Confident69.5Low97 Ų97108.4 Ų108.442%0.42252%0.519SS..  trans-81.595.5-176.4-166.2176.3-177.5-178.60110.6E311 D314 W319E311-K317 IonicContact OE2-NZ 3.11Å; E311-K317 PolarHBondContact OE2-NZ 2.98Å; D314-K317 HydrophobicContact CB-CB 4.01Å; D314-K317 PolarHBondContact O-N 2.99Å; K317-W319 HydrophobicContact CD-CZ2 4.05Å; K317-W319 VanDerWaalsContact CE-CZ2 3.41Å
318K64.8Low68.6Low190 Ų190114.4 Ų114.483%0.82655%0.548SS*.PPolyproline II helixtrans-84124.5173.1-64.8-178.5-177175.40110.2E316E316-K318 PolarHBondContact O-N 3.07Å; E316-K318 VanDerWaalsContact O-N 3.13Å
319W64.8Low67.7Low65 Ų65117.2 Ų117.225%0.24655%0.552CS.*PPolyproline II helixtrans-90.8125.7172.3-62.777.4000109R259 K261 E311 K317R259-W319 HydrophobicContact CB-CB 4.32Å; K261-W319 HydrophobicContact CB-CE3 4.3Å; K261-W319 HydrophobicContact CB-CZ3 4.35Å; K261-W319 HydrophobicContact CD-CH2 3.8Å; K261-W319 HydrophobicContact CD-CZ2 4.36Å; K261-W319 HydrophobicContact CD-CZ3 3.97Å; K261-W319 HydrophobicContact CG-CD2 4.09Å; K261-W319 HydrophobicContact CG-CE3 3.69Å; K261-W319 HydrophobicContact CG-CH2 3.48Å; K261-W319 VanDerWaalsContact CG-CH2 3.48Å; K261-W319 HydrophobicContact CG-CZ2 3.78Å; K261-W319 HydrophobicContact CG-CZ3 3.42Å; K261-W319 VanDerWaalsContact CG-CZ3 3.42Å; E311-W319 WeakPolarHBondContact OE2-CZ2 3.17Å; K317-W319 HydrophobicContact CD-CZ2 4.05Å; K317-W319 VanDerWaalsContact CE-CZ2 3.41Å
320D56.5Low66.5Low156 Ų156118.1 Ų118.183%0.83456%0.563SS**PPolyproline II helixtrans-67.4156.2174.8-74-40.2000111.4Y322D320-Y322 PolarHBondContact O-N 3.48Å
321K54.4Low65.1Low149 Ų149125.2 Ų125.265%0.64860%0.597SS**PPolyproline II helixtrans-58.5123.4178.4-74.3-174.4176.4-171.40109.6T323K321-T323 PolarHBondContact O-N 3.47Å; K321-T323 PolarHBondContact O-OG1 3.05Å
322Y45.4Very low63.6Low169 Ų169129.8 Ų129.866%0.66362%0.62SS**  trans-57.9105.7171.3-165-98.4000108.2D320 I324D320-Y322 PolarHBondContact O-N 3.48Å; Y322-I324 HydrophobicContact CD1-CG1 3.82Å; Y322-I324 HydrophobicContact CE1-CG1 3.89Å
323T38.5Very low61.7Low124 Ų124133.9 Ų133.976%0.76162%0.619SS**  trans-90.6106.4174.1-10.50000106.6K321 R325K321-T323 PolarHBondContact O-N 3.47Å; K321-T323 PolarHBondContact O-OG1 3.05Å; T323-R325 PolarHBondContact O-N 3.34Å
324I43.9Very low59.6Low125 Ų125142.8 Ų142.864%0.64166%0.661SS**  trans-64.4117.6168.1-55.8167.1000105.8Y322Y322-I324 HydrophobicContact CD1-CG1 3.82Å; Y322-I324 HydrophobicContact CE1-CG1 3.89Å
325R33.1Very low57.5Low308 Ų308148.6 Ų148.6100%1.16268%0.684SS**  trans-95.70168.7-92.8-164.8179.2-171.41.3110.5T323T323-R325 PolarHBondContact O-N 3.34Å

Retrieved 325 of 325 residues in 84 ms (Link to these results)