A0A077Z6Y3_TRITR Loading...

5'-nucleotidase

AlphaFold DB , UniProt , Accession A0A077Z6Y3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 317 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
1M55.9Low76Confident152 Ų15265.6 Ų65.675%0.74936%0.36SS*.  0150.80-78.5178.9-169.900107.4A5 V6 G316M1-A5 HydrophobicContact CB-CB 4.18Å; M1-A5 HydrophobicContact CG-CB 4.45Å; M1-V6 HydrophobicContact CB-CG2 3.79Å; M1-V6 HydrophobicContact SD-CG2 4.29Å; M1-G316 WeakPolarHBondContact CE-O 3.42Å
2S60.7Low77.2Confident78 Ų7871.6 Ų71.655%0.54538%0.38SS..  trans-67152164.151.70000108.9S4 A5 V6S2-S4 PolarHBondContact O-N 2.79Å; S2-S4 VanDerWaalsContact O-N 3.15Å; S2-A5 PolarHBondContact O-N 3.35Å; S2-V6 PolarHBondContact O-N 2.84Å
3D67Low78.2Confident73 Ų7366.8 Ų66.839%0.3936%0.355SS..Hα-helixtrans-53.9-36.7179.1-63.4-40.3000111.5A5 V6 L7 T43D3-A5 VanDerWaalsContact C-N 3.33Å; D3-A5 PolarHBondContact O-N 3.48Å; D3-V6 PolarHBondContact O-N 3.43Å; D3-L7 WeakPolarHBondContact O-CB 3.43Å; D3-L7 PolarHBondContact O-N 2.78Å; D3-T43 WeakPolarHBondContact OD1-CB 3.21Å; D3-T43 VanDerWaalsContact OD1-CG2 3.27Å; D3-T43 WeakPolarHBondContact OD1-CG2 3.45Å; D3-T43 PolarHBondContact OD1-OG1 3.26Å
4S75.4Confident79.1Confident79 Ų7962 Ų6255%0.55233%0.33SS*.Hα-helixtrans-58-37.1173.4167.60000114.2S2 L7 E8S2-S4 PolarHBondContact O-N 2.79Å; S2-S4 VanDerWaalsContact O-N 3.15Å; S4-L7 PolarHBondContact O-N 3.49Å; S4-E8 WeakPolarHBondContact O-CG 3.37Å; S4-E8 PolarHBondContact O-N 2.89Å
5A78Confident80Confident40 Ų4061.7 Ų61.733%0.33134%0.335SS..Hα-helixtrans-76.2-31.718000000112.5M1 S2 D3 K9M1-A5 HydrophobicContact CB-CB 4.18Å; M1-A5 HydrophobicContact CG-CB 4.45Å; S2-A5 PolarHBondContact O-N 3.35Å; D3-A5 VanDerWaalsContact C-N 3.33Å; D3-A5 PolarHBondContact O-N 3.48Å; A5-K9 PolarHBondContact O-N 3.42Å
6V75Confident80.8Confident9 Ų961.6 Ų61.66%0.05533%0.334CS..Hα-helixtrans-67.4-43172.3-177.80000109.4M1 S2 D3 E8 K9 V10 C39M1-V6 HydrophobicContact CB-CG2 3.79Å; M1-V6 HydrophobicContact SD-CG2 4.29Å; S2-V6 PolarHBondContact O-N 2.84Å; D3-V6 PolarHBondContact O-N 3.43Å; V6-E8 PolarHBondContact O-N 3.31Å; V6-K9 WeakPolarHBondContact O-CB 3.31Å; V6-K9 PolarHBondContact O-N 3.43Å; V6-K9 VanDerWaalsContact O-N 3.14Å; V6-V10 WeakPolarHBondContact O-CG2 3.44Å; V6-V10 PolarHBondContact O-N 3.38Å; V6-C39 HydrophobicContact CG1-CB 4.1Å
7L79.2Confident81.5Confident41 Ų4158 Ų5822%0.21531%0.314CS..Hα-helixtrans-60-46.4178.2-161.164.1000113.2D3 S4 K9 V10 K11 E36D3-L7 WeakPolarHBondContact O-CB 3.43Å; D3-L7 PolarHBondContact O-N 2.78Å; S4-L7 PolarHBondContact O-N 3.49Å; L7-K9 VanDerWaalsContact C-N 3.27Å; L7-K9 PolarHBondContact O-N 3.35Å; L7-V10 WeakPolarHBondContact O-CB 3.27Å; L7-V10 PolarHBondContact O-N 3.48Å; L7-K11 WeakPolarHBondContact O-CG 3.39Å; L7-K11 PolarHBondContact O-N 3.15Å; L7-E36 HydrophobicContact CD1-CB 3.56Å; L7-E36 HydrophobicContact CD1-CG 3.25Å; L7-E36 VanDerWaalsContact CD1-OE1 3.24Å; L7-E36 WeakPolarHBondContact CD1-OE1 3.19Å; L7-E36 WeakPolarHBondContact CD2-OE1 3.31Å; L7-E36 HydrophobicContact CG-CG 4.4Å
8E86.2Confident82.1Confident117 Ų11760.6 Ų60.655%0.54732%0.324SS..Hα-helixtrans-61.2-38.5175.1-76.8-59.1134.100111.8S4 V6 K11 K12S4-E8 WeakPolarHBondContact O-CG 3.37Å; S4-E8 PolarHBondContact O-N 2.89Å; V6-E8 PolarHBondContact O-N 3.31Å; E8-K11 PolarHBondContact O-N 3.37Å; E8-K12 WeakPolarHBondContact O-CB 3.16Å; E8-K12 PolarHBondContact O-N 3.15Å
9K84.3Confident82.7Confident66 Ų6665.7 Ų65.729%0.28735%0.346SS..Hα-helixtrans-64.1-43.7175.4-172.4172.9-172.7174.40111.6A5 V6 L7 K12 T13 R317A5-K9 PolarHBondContact O-N 3.42Å; V6-K9 WeakPolarHBondContact O-CB 3.31Å; V6-K9 PolarHBondContact O-N 3.43Å; V6-K9 VanDerWaalsContact O-N 3.14Å; L7-K9 VanDerWaalsContact C-N 3.27Å; L7-K9 PolarHBondContact O-N 3.35Å; K9-K12 PolarHBondContact O-N 3.5Å; K9-T13 WeakPolarHBondContact O-CB 3.47Å; K9-T13 PolarHBondContact O-N 3.45Å; K9-T13 PolarHBondContact O-OG1 3.07Å; K9-T13 VanDerWaalsContact O-OG1 3.09Å; K9-R317 WeakPolarHBondContact CE-O 3.48Å; K9-R317 PolarHBondContact NZ-O 3.32Å; K9-R317 PolarHBondContact NZ-OXT 3.12Å
10V85.3Confident83.2Confident1 Ų166.9 Ų66.91%0.00635%0.345CS..Hα-helixtrans-59.7-48.6176.5166.10000111.1V6 L7 K12 T13 I14 L35 L314V6-V10 WeakPolarHBondContact O-CG2 3.44Å; V6-V10 PolarHBondContact O-N 3.38Å; L7-V10 WeakPolarHBondContact O-CB 3.27Å; L7-V10 PolarHBondContact O-N 3.48Å; V10-K12 VanDerWaalsContact C-N 3.34Å; V10-K12 PolarHBondContact O-N 3.06Å; V10-T13 PolarHBondContact O-N 3.41Å; V10-I14 HydrophobicContact CG1-CD1 4.11Å; V10-I14 WeakPolarHBondContact O-CG1 3.32Å; V10-I14 PolarHBondContact O-N 3.09Å; V10-L35 HydrophobicContact CG1-CB 3.53Å; V10-L35 HydrophobicContact CG1-CD1 3.55Å; V10-L35 HydrophobicContact CG1-CG 4.2Å; V10-L314 HydrophobicContact CG2-CD2 4.36Å
11K88.6Confident83.7Confident66 Ų6673.7 Ų73.729%0.28737%0.366SS..Hα-helixtrans-59.8-44.6177.7-73178.1178.9170.80111.9L7 E8 I14 S15 E36L7-K11 WeakPolarHBondContact O-CG 3.39Å; L7-K11 PolarHBondContact O-N 3.15Å; E8-K11 PolarHBondContact O-N 3.37Å; K11-I14 PolarHBondContact O-N 3.1Å; K11-S15 PolarHBondContact O-N 3.27Å; K11-E36 WeakPolarHBondContact CE-OE1 3.13Å; K11-E36 IonicContact NZ-OE1 3.09Å; K11-E36 PolarHBondContact NZ-OE1 2.78Å; K11-E36 VanDerWaalsContact NZ-OE1 3.09Å
12K90.8Very high85.5Confident137 Ų13771.1 Ų71.160%0.59635%0.351SS*.Hα-helixtrans-60.2-47.4174.5-174.9-179.6176.8-176.10111.7E8 K9 V10 I14 S15 D16E8-K12 WeakPolarHBondContact O-CB 3.16Å; E8-K12 PolarHBondContact O-N 3.15Å; K9-K12 PolarHBondContact O-N 3.5Å; V10-K12 VanDerWaalsContact C-N 3.34Å; V10-K12 PolarHBondContact O-N 3.06Å; K12-I14 VanDerWaalsContact C-N 3.31Å; K12-I14 PolarHBondContact O-N 3.05Å; K12-S15 WeakPolarHBondContact O-CB 3.38Å; K12-S15 PolarHBondContact O-N 3.25Å; K12-D16 PolarHBondContact O-N 2.96Å
13T90.8Very high87.2Confident9 Ų968 Ų686%0.05533%0.329CS..Hα-helixtrans-57.8-44.8177.5-65.70000111K9 V10 S15 D16 L17 E309 L310K9-T13 WeakPolarHBondContact O-CB 3.47Å; K9-T13 PolarHBondContact O-N 3.45Å; K9-T13 PolarHBondContact O-OG1 3.07Å; K9-T13 VanDerWaalsContact O-OG1 3.09Å; V10-T13 PolarHBondContact O-N 3.41Å; T13-S15 PolarHBondContact O-N 3.12Å; T13-D16 PolarHBondContact O-N 2.92Å; T13-L17 HydrophobicContact CG2-CD1 4.19Å; T13-L17 HydrophobicContact CG2-CG 4.32Å; T13-L17 WeakPolarHBondContact O-CB 3.46Å; T13-L17 VanDerWaalsContact O-CG 3.23Å; T13-L17 WeakPolarHBondContact O-CG 3.39Å; T13-L17 PolarHBondContact O-N 3.37Å; T13-E309 HydrophobicContact CG2-CG 4.12Å; T13-L310 HydrophobicContact CG2-CD1 4.21Å
14I91Very high88.6Confident0 Ų065.9 Ų65.90%032%0.316CS..Hα-helixtrans-62.3-44.8177.4-66.7165.1000111.4V10 K11 K12 D16 L17 Q18 I25 V28 L31 E32 L35V10-I14 HydrophobicContact CG1-CD1 4.11Å; V10-I14 WeakPolarHBondContact O-CG1 3.32Å; V10-I14 PolarHBondContact O-N 3.09Å; K11-I14 PolarHBondContact O-N 3.1Å; K12-I14 VanDerWaalsContact C-N 3.31Å; K12-I14 PolarHBondContact O-N 3.05Å; I14-D16 VanDerWaalsContact C-N 3.34Å; I14-D16 PolarHBondContact O-N 2.77Å; I14-L17 WeakPolarHBondContact O-CB 3.43Å; I14-L17 PolarHBondContact O-N 2.77Å; I14-L17 VanDerWaalsContact O-N 3.14Å; I14-Q18 HydrophobicContact CG2-CG 4.42Å; I14-Q18 WeakPolarHBondContact O-CG 3.42Å; I14-Q18 PolarHBondContact O-N 3.44Å; I14-I25 HydrophobicContact CG2-CD1 4.31Å; I14-V28 HydrophobicContact CG2-CG1 3.84Å; I14-L31 HydrophobicContact CD1-CD2 4.22Å; I14-L31 HydrophobicContact CD1-CG 4.1Å; I14-L31 HydrophobicContact CG1-CD2 4.1Å; I14-L31 HydrophobicContact CG1-CG 4.48Å; I14-L31 HydrophobicContact CG2-CD2 4.37Å; I14-E32 HydrophobicContact CD1-CB 4.26Å; I14-E32 HydrophobicContact CD1-CG 3.42Å; I14-E32 VanDerWaalsContact CD1-CG 3.42Å; I14-L35 HydrophobicContact CD1-CD1 3.53Å; I14-L35 HydrophobicContact CG1-CD1 3.9Å
15S92.4Very high89.5Confident58 Ų5863.3 Ų63.341%0.40630%0.295SS..Hα-helixtrans-56.5-48.3176.2-171.60000111.5K11 K12 T13 L17 Q18K11-S15 PolarHBondContact O-N 3.27Å; K12-S15 WeakPolarHBondContact O-CB 3.38Å; K12-S15 PolarHBondContact O-N 3.25Å; T13-S15 PolarHBondContact O-N 3.12Å; S15-L17 VanDerWaalsContact C-N 3.29Å; S15-L17 PolarHBondContact O-N 3.08Å; S15-Q18 PolarHBondContact O-N 2.71Å
16D93Very high90.3Very high60 Ų6068.3 Ų68.332%0.32131%0.306SS..Hα-helixtrans-63.7-34.7178.9-67-14.8000111.5K12 T13 I14K12-D16 PolarHBondContact O-N 2.96Å; T13-D16 PolarHBondContact O-N 2.92Å; I14-D16 VanDerWaalsContact C-N 3.34Å; I14-D16 PolarHBondContact O-N 2.77Å
17L92.7Very high91.1Very high0 Ų071 Ų710%032%0.32CS..Hα-helixtrans-69.3-37176.9-72.8-176.2000112.8T13 I14 S15 E19 R20 I23 I25 T306 L310T13-L17 HydrophobicContact CG2-CD1 4.19Å; T13-L17 HydrophobicContact CG2-CG 4.32Å; T13-L17 WeakPolarHBondContact O-CB 3.46Å; T13-L17 VanDerWaalsContact O-CG 3.23Å; T13-L17 WeakPolarHBondContact O-CG 3.39Å; T13-L17 PolarHBondContact O-N 3.37Å; I14-L17 WeakPolarHBondContact O-CB 3.43Å; I14-L17 PolarHBondContact O-N 2.77Å; I14-L17 VanDerWaalsContact O-N 3.14Å; S15-L17 VanDerWaalsContact C-N 3.29Å; S15-L17 PolarHBondContact O-N 3.08Å; L17-E19 PolarHBondContact O-N 3.32Å; L17-R20 WeakPolarHBondContact O-CB 3.44Å; L17-R20 PolarHBondContact O-N 2.88Å; L17-R20 VanDerWaalsContact O-N 3.07Å; L17-I23 HydrophobicContact CB-CG2 4.27Å; L17-I23 WeakPolarHBondContact O-CB 3.44Å; L17-I25 HydrophobicContact CB-CD1 4.48Å; L17-T306 HydrophobicContact CD1-CG2 4.33Å; L17-T306 HydrophobicContact CD2-CG2 3.43Å; L17-T306 VanDerWaalsContact CD2-CG2 3.43Å; L17-L310 HydrophobicContact CD1-CD1 4.03Å
18Q91.8Very high91.8Very high104 Ų10470.8 Ų70.849%0.48632%0.32SS..Hα-helixtrans-64.6-24.9178.8-72.5-178.7-10200113.2I14 S15 R20 I25 V28I14-Q18 HydrophobicContact CG2-CG 4.42Å; I14-Q18 WeakPolarHBondContact O-CG 3.42Å; I14-Q18 PolarHBondContact O-N 3.44Å; S15-Q18 PolarHBondContact O-N 2.71Å; Q18-R20 VanDerWaalsContact C-N 3.29Å; Q18-I25 HydrophobicContact CG-CD1 4.14Å; Q18-V28 VanDerWaalsContact CD-CG2 3.47Å; Q18-V28 HydrophobicContact CG-CG2 4.24Å; Q18-V28 VanDerWaalsContact NE2-CG2 3.33Å
19E93.1Very high92Very high159 Ų15968.1 Ų68.174%0.74332%0.318SS*.THydrogen-bonded Turntrans-78.4-14.5176.4-62.7-173.7175.900112.7L17 R21L17-E19 PolarHBondContact O-N 3.32Å; E19-R21 PolarHBondContact O-N 3.1Å
20R93.8Very high92.3Very high88 Ų8868.2 Ų68.233%0.33233%0.325SS..SBendtrans-80.9121.3-178.1-62.2-177.5-170.1-179.95.9110.7L17 Q18 F22 I23 T306 E309L17-R20 WeakPolarHBondContact O-CB 3.44Å; L17-R20 PolarHBondContact O-N 2.88Å; L17-R20 VanDerWaalsContact O-N 3.07Å; Q18-R20 VanDerWaalsContact C-N 3.29Å; R20-F22 PolarHBondContact O-N 3.3Å; R20-I23 HydrophobicContact CB-CB 4.14Å; R20-I23 HydrophobicContact CB-CG1 3.56Å; R20-I23 HydrophobicContact CG-CG1 4.42Å; R20-I23 PolarHBondContact O-N 3.07Å; R20-T306 PolarHBondContact NH1-OG1 3.11Å; R20-E309 IonicContact CZ-OE2 3.68Å; R20-E309 VanDerWaalsContact CZ-OE2 3.22Å; R20-E309 IonicContact NH1-OE2 2.93Å; R20-E309 PolarHBondContact NH1-OE2 3.14Å; R20-E309 VanDerWaalsContact NH2-CD 3.29Å; R20-E309 IonicContact NH2-OE1 2.87Å; R20-E309 PolarHBondContact NH2-OE1 3.04Å; R20-E309 VanDerWaalsContact NH2-OE1 3.07Å; R20-E309 IonicContact NH2-OE2 3.62Å; R20-E309 PolarHBondContact NH2-OE2 3.09Å
21R92.8Very high92.6Very high210 Ų21068.2 Ų68.279%0.79233%0.325SS*.THydrogen-bonded Turntrans-48.5-34.7-179.6178.4177.6172.6160.5-0.3115E19E19-R21 PolarHBondContact O-N 3.1Å
22F94.2Very high92.6Very high99 Ų9967.7 Ų67.743%0.43432%0.323SS..THydrogen-bonded Turntrans-97.15.1-173.2-58.5-66.4000113.8R20 S299 D300R20-F22 PolarHBondContact O-N 3.3Å; F22-S299 VanDerWaalsContact CA-OG 3.29Å; F22-S299 WeakPolarHBondContact CA-OG 3.13Å; F22-S299 WeakPolarHBondContact CB-OG 3.43Å; F22-S299 PolarHBondContact O-N 3.21Å; F22-S299 PolarHBondContact O-OG 3.48Å; F22-D300 HydrophobicContact CB-CB 4.28Å; F22-D300 HydrophobicContact CG-CB 4.5Å
23I96.3Very high92.4Very high13 Ų1363 Ų637%0.06731%0.31CS..EExtended strand (participates in β ladder)trans-110.3131.6-178.3-52.1-57.5000109.3L17 R20 I25 V296 V297 I298 T306L17-I23 HydrophobicContact CB-CG2 4.27Å; L17-I23 WeakPolarHBondContact O-CB 3.44Å; R20-I23 HydrophobicContact CB-CB 4.14Å; R20-I23 HydrophobicContact CB-CG1 3.56Å; R20-I23 HydrophobicContact CG-CG1 4.42Å; R20-I23 PolarHBondContact O-N 3.07Å; I23-I25 HydrophobicContact CG2-CD1 4.47Å; I23-I25 HydrophobicContact CG2-CG1 4.39Å; I23-V296 HydrophobicContact CG2-CG1 4.02Å; I23-V297 CarbonylContact C-O 3.51Å; I23-V297 WeakPolarHBondContact CA-O 3.44Å; I23-I298 HydrophobicContact CD1-CB 4.16Å; I23-I298 HydrophobicContact CD1-CG1 3.87Å; I23-I298 HydrophobicContact CD1-CG2 3.93Å; I23-T306 HydrophobicContact CD1-CG2 3.56Å; I23-T306 HydrophobicContact CG1-CG2 4.22Å
24F96Very high92.2Very high28 Ų2863.5 Ų63.512%0.12331%0.311CS..EExtended strand (participates in β ladder)trans-128.2127.9178.6-42.2-64.3000110.6V283 K287 M291 V297 S299F24-V283 HydrophobicContact CE2-CG1 3.79Å; F24-V283 HydrophobicContact CZ-CG1 4.03Å; F24-K287 HydrophobicContact CD1-CD 4.05Å; F24-K287 HydrophobicContact CD2-CD 4.11Å; F24-K287 HydrophobicContact CD2-CG 4.14Å; F24-K287 HydrophobicContact CE1-CD 4.08Å; F24-K287 VanDerWaalsContact CE1-NZ 3.28Å; F24-K287 HydrophobicContact CE2-CD 4.12Å; F24-K287 HydrophobicContact CE2-CG 4.44Å; F24-K287 HydrophobicContact CG-CD 4.06Å; F24-K287 HydrophobicContact CG-CG 4.29Å; F24-K287 HydrophobicContact CZ-CD 4.11Å; F24-M291 HydrophobicContact CB-CE 4.25Å; F24-M291 HydrophobicContact CB-CG 3.88Å; F24-M291 HydrophobicContact CB-SD 3.65Å; F24-M291 HydrophobicContact CG-SD 4.43Å; F24-V297 HydrophobicContact CB-CB 4.19Å; F24-V297 HydrophobicContact CD2-CB 4.23Å; F24-V297 HydrophobicContact CD2-CG1 4.07Å; F24-V297 PolarHBondContact N-O 2.67Å; F24-V297 PolarHBondContact O-N 3.48Å; F24-S299 VanDerWaalsContact CE2-OG 3.27Å; F24-S299 WeakPolarHBondContact CE2-OG 3.49Å
25I95.3Very high92Very high24 Ų2463.5 Ų63.512%0.12331%0.311CS..  trans-128.3123.4178.9-60.2166.7000106.2I14 L17 Q18 I23 V28 L31 M291 V296I14-I25 HydrophobicContact CG2-CD1 4.31Å; L17-I25 HydrophobicContact CB-CD1 4.48Å; Q18-I25 HydrophobicContact CG-CD1 4.14Å; I23-I25 HydrophobicContact CG2-CD1 4.47Å; I23-I25 HydrophobicContact CG2-CG1 4.39Å; I25-V28 HydrophobicContact CG2-CG2 3.98Å; I25-L31 HydrophobicContact CD1-CD2 3.79Å; I25-L31 HydrophobicContact CG1-CD2 4.18Å; I25-L31 HydrophobicContact CG2-CB 4.35Å; I25-L31 HydrophobicContact CG2-CD2 3.83Å; I25-M291 WeakPolarHBondContact O-CE 3.48Å; I25-V296 HydrophobicContact CG1-CG1 4.4Å; I25-V296 HydrophobicContact CG1-CG2 4.32Å
26R92.9Very high91.4Very high146 Ų14663.5 Ų63.555%0.55131%0.305SS*.SBendtrans-74.4-45.9-178.3-171.7-17563.4-176.6-7.4111.9M291R26-M291 VanDerWaalsContact CA-CE 3.5Å; R26-M291 HydrophobicContact CB-CB 4.11Å; R26-M291 HydrophobicContact CB-CE 4Å; R26-M291 VanDerWaalsContact CB-O 3.28Å; R26-M291 WeakPolarHBondContact CB-O 3.14Å; R26-M291 WeakPolarHBondContact CD-O 3.31Å
27D92.9Very high90.7Very high66 Ų6665.5 Ų65.535%0.35331%0.308SS..  trans-137.998.8-172.7-175.4-15.4000108.9A29 T30 L31D27-A29 VanDerWaalsContact C-N 3.34Å; D27-A29 PolarHBondContact OD1-N 3.5Å; D27-A29 VanDerWaalsContact OD1-N 3.13Å; D27-T30 VanDerWaalsContact CG-CB 3.44Å; D27-T30 PolarHBondContact OD1-N 2.96Å; D27-T30 WeakPolarHBondContact OD2-CB 3.47Å; D27-T30 PolarHBondContact OD2-OG1 2.9Å; D27-L31 PolarHBondContact O-N 3.14Å
28V93Very high90Very high35 Ų3565.6 Ų65.621%0.21231%0.309CS..Hα-helixtrans-64.5-40.7-178.3173.40000110.9I14 Q18 I25 L31 E32I14-V28 HydrophobicContact CG2-CG1 3.84Å; Q18-V28 VanDerWaalsContact CD-CG2 3.47Å; Q18-V28 HydrophobicContact CG-CG2 4.24Å; Q18-V28 VanDerWaalsContact NE2-CG2 3.33Å; I25-V28 HydrophobicContact CG2-CG2 3.98Å; V28-L31 PolarHBondContact O-N 3.24Å; V28-E32 HydrophobicContact CG1-CG 4.35Å; V28-E32 WeakPolarHBondContact O-CB 3.42Å; V28-E32 WeakPolarHBondContact O-CG 3.24Å; V28-E32 PolarHBondContact O-N 3.19Å
29A91.7Very high89.2Confident62 Ų6260.8 Ų60.851%0.51229%0.286SS..Hα-helixtrans-67.1-41.2-178.500000111.1D27 E32 A33D27-A29 VanDerWaalsContact C-N 3.34Å; D27-A29 PolarHBondContact OD1-N 3.5Å; D27-A29 VanDerWaalsContact OD1-N 3.13Å; A29-E32 PolarHBondContact O-N 2.67Å; A29-A33 WeakPolarHBondContact O-CB 3.49Å; A29-A33 PolarHBondContact O-N 3.07Å
30T90.7Very high87.9Confident68 Ų6857.1 Ų57.142%0.41727%0.272SS..Hα-helixtrans-64.3-40.7173.8-67.40000111.5D27 K34D27-T30 VanDerWaalsContact CG-CB 3.44Å; D27-T30 PolarHBondContact OD1-N 2.96Å; D27-T30 WeakPolarHBondContact OD2-CB 3.47Å; D27-T30 PolarHBondContact OD2-OG1 2.9Å; T30-K34 WeakPolarHBondContact O-CB 3.36Å; T30-K34 PolarHBondContact O-N 2.7Å
31L91.4Very high86.4Confident1 Ų154.9 Ų54.91%0.00527%0.265CS..Hα-helixtrans-63.5-49175.5175.763.4000111.3I14 I25 D27 V28 A33 K34 L35 L274 D295 V296I14-L31 HydrophobicContact CD1-CD2 4.22Å; I14-L31 HydrophobicContact CD1-CG 4.1Å; I14-L31 HydrophobicContact CG1-CD2 4.1Å; I14-L31 HydrophobicContact CG1-CG 4.48Å; I14-L31 HydrophobicContact CG2-CD2 4.37Å; I25-L31 HydrophobicContact CD1-CD2 3.79Å; I25-L31 HydrophobicContact CG1-CD2 4.18Å; I25-L31 HydrophobicContact CG2-CB 4.35Å; I25-L31 HydrophobicContact CG2-CD2 3.83Å; D27-L31 PolarHBondContact O-N 3.14Å; V28-L31 PolarHBondContact O-N 3.24Å; L31-A33 PolarHBondContact O-N 3.14Å; L31-K34 WeakPolarHBondContact O-CB 3.47Å; L31-K34 PolarHBondContact O-N 3.2Å; L31-L35 HydrophobicContact CD1-CD1 4.1Å; L31-L35 HydrophobicContact CD1-CD2 4.3Å; L31-L35 HydrophobicContact CD1-CG 4.01Å; L31-L35 HydrophobicContact CG-CD1 4.13Å; L31-L35 HydrophobicContact CG-CG 4.39Å; L31-L35 WeakPolarHBondContact O-CG 3.28Å; L31-L35 PolarHBondContact O-N 2.97Å; L31-L274 HydrophobicContact CD1-CD1 3.58Å; L31-D295 HydrophobicContact CD1-CB 4.04Å; L31-V296 HydrophobicContact CD1-CG2 3.97Å; L31-V296 HydrophobicContact CD2-CG2 3.7Å
32E89.1Confident84.8Confident55 Ų5545.4 Ų45.426%0.25723%0.23SC..Hα-helixtrans-51.9-58.5174.9-76.7-178.3159.500109.8I14 V28 A29 K34 L35 E36I14-E32 HydrophobicContact CD1-CB 4.26Å; I14-E32 HydrophobicContact CD1-CG 3.42Å; I14-E32 VanDerWaalsContact CD1-CG 3.42Å; V28-E32 HydrophobicContact CG1-CG 4.35Å; V28-E32 WeakPolarHBondContact O-CB 3.42Å; V28-E32 WeakPolarHBondContact O-CG 3.24Å; V28-E32 PolarHBondContact O-N 3.19Å; A29-E32 PolarHBondContact O-N 2.67Å; E32-K34 PolarHBondContact O-N 3.4Å; E32-K34 VanDerWaalsContact O-N 3.15Å; E32-L35 CarbonylContact O-C 3.46Å; E32-L35 WeakPolarHBondContact O-CA 3.22Å; E32-L35 PolarHBondContact O-N 3.16Å; E32-E36 WeakPolarHBondContact O-CG 3.45Å; E32-E36 PolarHBondContact O-N 3.16Å
33A86.2Confident82.9Confident39 Ų3942.6 Ų42.632%0.32222%0.222SC..Hα-helixtrans-57.3-32.5-179.100000113.6A29 L31 R37A29-A33 WeakPolarHBondContact O-CB 3.49Å; A29-A33 PolarHBondContact O-N 3.07Å; L31-A33 PolarHBondContact O-N 3.14Å; A33-R37 WeakPolarHBondContact O-CG 3.46Å; A33-R37 PolarHBondContact O-N 3.29Å; A33-R37 PolarHBondContact O-NE 3.43Å
34K87.2Confident80.6Confident18 Ų1845.1 Ų45.18%0.07824%0.24CC..Hα-helixtrans-68.6-50.3172.6-175.6174.7-77.3-179.90110.2T30 L31 E32 E36 R37 L38 I273 L274 D295T30-K34 WeakPolarHBondContact O-CB 3.36Å; T30-K34 PolarHBondContact O-N 2.7Å; L31-K34 WeakPolarHBondContact O-CB 3.47Å; L31-K34 PolarHBondContact O-N 3.2Å; E32-K34 PolarHBondContact O-N 3.4Å; E32-K34 VanDerWaalsContact O-N 3.15Å; K34-E36 PolarHBondContact O-N 3.16Å; K34-R37 PolarHBondContact O-N 3.44Å; K34-L38 HydrophobicContact CG-CD1 4.28Å; K34-L38 VanDerWaalsContact O-CG 3.26Å; K34-L38 WeakPolarHBondContact O-CG 3.11Å; K34-L38 PolarHBondContact O-N 2.74Å; K34-I273 WeakPolarHBondContact CD-O 3.29Å; K34-I273 WeakPolarHBondContact CE-O 3.47Å; K34-I273 PolarHBondContact NZ-O 3.28Å; K34-L274 HydrophobicContact CD-CB 4.36Å; K34-L274 HydrophobicContact CD-CD1 4.23Å; K34-D295 IonicContact NZ-OD1 2.79Å; K34-D295 PolarHBondContact NZ-OD1 3.17Å; K34-D295 IonicContact NZ-OD2 3.73Å; K34-D295 PolarHBondContact NZ-OD2 3.21Å
35L85.1Confident78.3Confident0 Ų045 Ų450%025%0.245CC..Hα-helixtrans-64.3-36.6179.2-61.1178.8000112.9V10 I14 L31 E32 R37 L38 C39 L274 L310 L314V10-L35 HydrophobicContact CG1-CB 3.53Å; V10-L35 HydrophobicContact CG1-CD1 3.55Å; V10-L35 HydrophobicContact CG1-CG 4.2Å; I14-L35 HydrophobicContact CD1-CD1 3.53Å; I14-L35 HydrophobicContact CG1-CD1 3.9Å; L31-L35 HydrophobicContact CD1-CD1 4.1Å; L31-L35 HydrophobicContact CD1-CD2 4.3Å; L31-L35 HydrophobicContact CD1-CG 4.01Å; L31-L35 HydrophobicContact CG-CD1 4.13Å; L31-L35 HydrophobicContact CG-CG 4.39Å; L31-L35 WeakPolarHBondContact O-CG 3.28Å; L31-L35 PolarHBondContact O-N 2.97Å; E32-L35 CarbonylContact O-C 3.46Å; E32-L35 WeakPolarHBondContact O-CA 3.22Å; E32-L35 PolarHBondContact O-N 3.16Å; L35-R37 VanDerWaalsContact C-N 3.33Å; L35-R37 PolarHBondContact O-N 3.33Å; L35-L38 HydrophobicContact CD2-CD1 4.15Å; L35-L38 PolarHBondContact O-N 3.07Å; L35-C39 PolarHBondContact O-N 3.41Å; L35-C39 PolarHBondContact O-SG 3.44Å; L35-L274 HydrophobicContact CD2-CD1 3.97Å; L35-L274 HydrophobicContact CD2-CD2 3.62Å; L35-L274 HydrophobicContact CD2-CG 4.39Å; L35-L310 HydrophobicContact CD1-CD1 3.62Å; L35-L310 HydrophobicContact CD1-CG 4.38Å; L35-L310 HydrophobicContact CD2-CD1 4.44Å; L35-L310 HydrophobicContact CD2-CG 4.35Å; L35-L314 HydrophobicContact CB-CD2 3.68Å; L35-L314 HydrophobicContact CD2-CD1 3.92Å; L35-L314 HydrophobicContact CD2-CD2 3.66Å; L35-L314 HydrophobicContact CD2-CG 4.02Å; L35-L314 HydrophobicContact CG-CD2 4.19Å; L35-L314 WeakPolarHBondContact O-CD2 3.33Å
36E81.1Confident76.1Confident59 Ų5947.8 Ų47.828%0.27626%0.263SS..Hα-helixtrans-58.1-47.5175.2-47.5-154.4140.300110L7 K11 E32 K34 L38 C39 D40L7-E36 HydrophobicContact CD1-CB 3.56Å; L7-E36 HydrophobicContact CD1-CG 3.25Å; L7-E36 VanDerWaalsContact CD1-OE1 3.24Å; L7-E36 WeakPolarHBondContact CD1-OE1 3.19Å; L7-E36 WeakPolarHBondContact CD2-OE1 3.31Å; L7-E36 HydrophobicContact CG-CG 4.4Å; K11-E36 WeakPolarHBondContact CE-OE1 3.13Å; K11-E36 IonicContact NZ-OE1 3.09Å; K11-E36 PolarHBondContact NZ-OE1 2.78Å; K11-E36 VanDerWaalsContact NZ-OE1 3.09Å; E32-E36 WeakPolarHBondContact O-CG 3.45Å; E32-E36 PolarHBondContact O-N 3.16Å; K34-E36 PolarHBondContact O-N 3.16Å; E36-L38 PolarHBondContact O-N 3.44Å; E36-C39 WeakPolarHBondContact O-CB 3.34Å; E36-C39 PolarHBondContact O-N 3.31Å; E36-C39 VanDerWaalsContact O-N 3.16Å; E36-D40 PolarHBondContact O-N 3.13Å; E36-D40 VanDerWaalsContact O-N 3.07Å
37R78.3Confident73.6Confident102 Ų10248.8 Ų48.839%0.38527%0.273SS..Hα-helixtrans-61.5-42176.3-74.8-173.1-92.6-171.7-1.4112.7A33 K34 L35 C39 E41 E271A33-R37 WeakPolarHBondContact O-CG 3.46Å; A33-R37 PolarHBondContact O-N 3.29Å; A33-R37 PolarHBondContact O-NE 3.43Å; K34-R37 PolarHBondContact O-N 3.44Å; L35-R37 VanDerWaalsContact C-N 3.33Å; L35-R37 PolarHBondContact O-N 3.33Å; R37-C39 VanDerWaalsContact C-N 3.27Å; R37-C39 PolarHBondContact O-N 3.11Å; R37-E41 WeakPolarHBondContact O-CG 3.2Å; R37-E41 PolarHBondContact O-N 3.04Å; R37-E271 IonicContact CZ-OE1 3.38Å; R37-E271 IonicContact CZ-OE2 3.71Å; R37-E271 IonicContact NH1-OE1 3Å; R37-E271 PolarHBondContact NH1-OE1 3.24Å; R37-E271 IonicContact NH1-OE2 2.7Å; R37-E271 PolarHBondContact NH1-OE2 3.42Å; R37-E271 IonicContact NH2-OE1 2.85Å; R37-E271 PolarHBondContact NH2-OE1 3.44Å; R37-E271 IonicContact NH2-OE2 3.93Å
38L77.9Confident71.4Confident2 Ų251.5 Ų51.51%0.0129%0.292CS..Hα-helixtrans-63.2-34.2177.1-63.4174.7000111.8K34 L35 E36 T42 N250 L274 L314K34-L38 HydrophobicContact CG-CD1 4.28Å; K34-L38 VanDerWaalsContact O-CG 3.26Å; K34-L38 WeakPolarHBondContact O-CG 3.11Å; K34-L38 PolarHBondContact O-N 2.74Å; L35-L38 HydrophobicContact CD2-CD1 4.15Å; L35-L38 PolarHBondContact O-N 3.07Å; E36-L38 PolarHBondContact O-N 3.44Å; L38-T42 PolarHBondContact O-N 3.44Å; L38-T42 PolarHBondContact O-OG1 3.38Å; L38-N250 HydrophobicContact CD2-CB 3.49Å; L38-N250 VanDerWaalsContact CD2-CB 3.49Å; L38-N250 VanDerWaalsContact CD2-OD1 3.22Å; L38-N250 WeakPolarHBondContact CD2-OD1 3.24Å; L38-N250 PolarHBondContact O-ND2 3.08Å; L38-L274 HydrophobicContact CD1-CB 3.92Å; L38-L274 HydrophobicContact CD1-CD2 4.42Å; L38-L314 HydrophobicContact CB-CD1 4.26Å; L38-L314 HydrophobicContact CB-CD2 3.84Å; L38-L314 HydrophobicContact CD1-CD1 3.92Å; L38-L314 HydrophobicContact CD1-CD2 4.43Å
39C74.6Confident69Low3 Ų355.1 Ų55.12%0.0230%0.302CS..Hα-helixtrans-69.1-53.8176.8-66.60000112.2V6 L35 E36 R37 E41 T42 T43 L314V6-C39 HydrophobicContact CG1-CB 4.1Å; L35-C39 PolarHBondContact O-N 3.41Å; L35-C39 PolarHBondContact O-SG 3.44Å; E36-C39 WeakPolarHBondContact O-CB 3.34Å; E36-C39 PolarHBondContact O-N 3.31Å; E36-C39 VanDerWaalsContact O-N 3.16Å; R37-C39 VanDerWaalsContact C-N 3.27Å; R37-C39 PolarHBondContact O-N 3.11Å; C39-E41 PolarHBondContact O-N 3.23Å; C39-T42 WeakPolarHBondContact O-CB 3.23Å; C39-T42 PolarHBondContact O-N 3.28Å; C39-T43 PolarHBondContact O-N 2.77Å; C39-T43 PolarHBondContact O-OG1 3.11Å; C39-L314 WeakPolarHBondContact SG-CD2 3.15Å
40D65.7Low66.5Low82 Ų8260.6 Ų60.644%0.43932%0.323SS..Hα-helixtrans-56.2-39.5-175.1-77.1-9.1000112.1E36 S44E36-D40 PolarHBondContact O-N 3.13Å; E36-D40 VanDerWaalsContact O-N 3.07Å; D40-S44 WeakPolarHBondContact O-CB 3.33Å; D40-S44 PolarHBondContact O-N 2.73Å; D40-S44 VanDerWaalsContact O-N 3.15Å; D40-S44 PolarHBondContact O-OG 3.06Å
41E62.1Low64.2Low41 Ų4165.7 Ų65.719%0.19233%0.334CS..Hα-helixtrans-75-28.7179.2-65.2-160.7135.100113.1R37 C39 A45 R249 N250R37-E41 WeakPolarHBondContact O-CG 3.2Å; R37-E41 PolarHBondContact O-N 3.04Å; C39-E41 PolarHBondContact O-N 3.23Å; E41-A45 WeakPolarHBondContact O-CB 3.3Å; E41-A45 PolarHBondContact O-N 2.68Å; E41-A45 VanDerWaalsContact O-N 3.07Å; E41-R249 VanDerWaalsContact CD-CD 3.42Å; E41-R249 WeakPolarHBondContact OE1-CD 3.18Å; E41-R249 IonicContact OE1-CZ 3.84Å; E41-R249 IonicContact OE1-NE 3.93Å; E41-R249 IonicContact OE1-NH1 2.92Å; E41-R249 PolarHBondContact OE1-NH1 3.32Å; E41-R249 WeakPolarHBondContact OE2-CB 3.34Å; E41-R249 VanDerWaalsContact OE2-CD 3.31Å; E41-R249 WeakPolarHBondContact OE2-CD 3.42Å; E41-N250 PolarHBondContact OE2-OD1 2.94Å; E41-N250 VanDerWaalsContact OE2-OD1 3.13Å
42T59Low61.7Low10 Ų1071.5 Ų71.56%0.06137%0.372CS..Hα-helixtrans-71.3-43.6176.1-54.10000110.7L38 C39 S44 A45 V46 L315L38-T42 PolarHBondContact O-N 3.44Å; L38-T42 PolarHBondContact O-OG1 3.38Å; C39-T42 WeakPolarHBondContact O-CB 3.23Å; C39-T42 PolarHBondContact O-N 3.28Å; T42-S44 VanDerWaalsContact C-N 3.34Å; T42-S44 PolarHBondContact O-N 3.01Å; T42-A45 PolarHBondContact O-N 2.73Å; T42-V46 WeakPolarHBondContact O-CG2 3.38Å; T42-V46 PolarHBondContact O-N 2.97Å; T42-L315 HydrophobicContact CG2-CD2 3.29Å
43T53.9Low59.5Low41 Ų4176.5 Ų76.525%0.25240%0.395SS..Hα-helixtrans-64-41.3176.2-44.50000111.5D3 C39 A45 V46 Q47D3-T43 WeakPolarHBondContact OD1-CB 3.21Å; D3-T43 VanDerWaalsContact OD1-CG2 3.27Å; D3-T43 WeakPolarHBondContact OD1-CG2 3.45Å; D3-T43 PolarHBondContact OD1-OG1 3.26Å; C39-T43 PolarHBondContact O-N 2.77Å; C39-T43 PolarHBondContact O-OG1 3.11Å; T43-A45 PolarHBondContact O-N 2.89Å; T43-V46 PolarHBondContact O-N 3.4Å; T43-Q47 PolarHBondContact O-N 3.06Å
44S49.3Very low57.4Low65 Ų6576 Ų7646%0.45539%0.389SS..Hα-helixtrans-65.5-38.6-180-60.80000112.9D40 T42 V46 Q47 V48D40-S44 WeakPolarHBondContact O-CB 3.33Å; D40-S44 PolarHBondContact O-N 2.73Å; D40-S44 VanDerWaalsContact O-N 3.15Å; D40-S44 PolarHBondContact O-OG 3.06Å; T42-S44 VanDerWaalsContact C-N 3.34Å; T42-S44 PolarHBondContact O-N 3.01Å; S44-V46 VanDerWaalsContact C-N 3.32Å; S44-V46 PolarHBondContact O-N 3.24Å; S44-Q47 PolarHBondContact O-N 2.73Å; S44-V48 WeakPolarHBondContact O-CG2 3.42Å; S44-V48 PolarHBondContact O-N 3.41Å
45A47.9Very low55.6Low27 Ų2778.1 Ų78.122%0.22341%0.406CS..Hα-helixtrans-66-33.2179.200000113E41 T42 T43 A57E41-A45 WeakPolarHBondContact O-CB 3.3Å; E41-A45 PolarHBondContact O-N 2.68Å; E41-A45 VanDerWaalsContact O-N 3.07Å; T42-A45 PolarHBondContact O-N 2.73Å; T43-A45 PolarHBondContact O-N 2.89Å; A45-A57 HydrophobicContact CB-CB 4Å
46V48.1Very low54.4Low82 Ų8278.4 Ų78.450%0.49741%0.408SS..Hα-helixtrans-69-34.4178.1175.10000111.8T42 T43 S44 S55T42-V46 WeakPolarHBondContact O-CG2 3.38Å; T42-V46 PolarHBondContact O-N 2.97Å; T43-V46 PolarHBondContact O-N 3.4Å; S44-V46 VanDerWaalsContact C-N 3.32Å; S44-V46 PolarHBondContact O-N 3.24Å; V46-S55 VanDerWaalsContact CG2-O 3.31Å; V46-S55 WeakPolarHBondContact CG2-O 3.46Å
47Q41.7Very low54.1Low166 Ų16676 Ų7678%0.77640%0.398SS*.Hα-helixtrans-78.7-26.7-178.5-72.9-171.6-0.900114.1T43 S44T43-Q47 PolarHBondContact O-N 3.06Å; S44-Q47 PolarHBondContact O-N 2.73Å
48V45.3Very low54.4Low123 Ų12371.1 Ų71.175%0.74538%0.38SS*.Hα-helixtrans-93.1-17-169.3177.20000113.6S44S44-V48 WeakPolarHBondContact O-CG2 3.42Å; S44-V48 PolarHBondContact O-N 3.41Å
49R42.1Very low54.9Low112 Ų11271.2 Ų71.242%0.42338%0.38SS..  trans-115.7106.8-170.3-69.6-177.6172.2179.9-3.2113R51 D247R49-R51 PolarHBondContact O-N 3.33Å; R49-D247 PolarHBondContact NH1-O 2.89Å
50N41Very low55.7Low177 Ų17771.1 Ų71.195%0.94738%0.38SS*.  trans-61.835158.3-93.2-18.8000113
51R40.7Very low57Low174 Ų17467.2 Ų67.266%0.65736%0.359SS*.  trans-109.7113.3173.8-74.2-166.7-176.9-177.72.6108.4R49 H53R49-R51 PolarHBondContact O-N 3.33Å; R51-H53 PolarHBondContact O-N 3.4Å
52P40Very low58.6Low124 Ų12465.3 Ų65.381%0.80535%0.35SS*.THydrogen-bonded Turntrans-66.95.4-169.824.4-32.6000115.4
53H41.7Very low60.4Low160 Ų16065.1 Ų65.174%0.74135%0.349SS*.THydrogen-bonded Turntrans-131.36.9-169.1-67.212.7000115.1R51R51-H53 PolarHBondContact O-N 3.4Å
54C42.3Very low62.5Low29 Ų2963.2 Ų63.220%0.19634%0.337CS..  trans-127.168.3-178.3-157.40000110.8
55S49.7Very low64.8Low62 Ų6260.9 Ų60.943%0.43432%0.319SS..  trans-92.35.2-175.957.60000114.4V46V46-S55 VanDerWaalsContact CG2-O 3.31Å; V46-S55 WeakPolarHBondContact CG2-O 3.46Å
56C59.5Low67.2Low5 Ų560.5 Ų60.53%0.03431%0.312CS..  trans-142.8122-177.9-168.70000109.6I58 V174 R248 L315C56-I58 PolarHBondContact O-N 2.92Å; C56-I58 VanDerWaalsContact O-N 3.07Å; C56-V174 HydrophobicContact CB-CG2 3.69Å; C56-R248 PolarHBondContact O-NH1 2.93Å; C56-L315 WeakPolarHBondContact SG-CD2 3.38Å
57A75.9Confident69.6Low8 Ų856.6 Ų56.67%0.06629%0.289CS..  trans-77.213-177.100000113.8A45 R248 R249 N250A45-A57 HydrophobicContact CB-CB 4Å; A57-R248 CarbonylContact O-C 3.53Å; A57-R249 PolarHBondContact O-N 3.19Å; A57-N250 WeakPolarHBondContact O-CB 3.45Å; A57-N250 PolarHBondContact O-N 2.9Å; A57-N250 VanDerWaalsContact O-N 3.14Å
58I83.4Confident72.2Confident1 Ų148.7 Ų48.71%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-105.9137.5-171.6-56.2178.7000110.8C56 N250 V252 L311 L314 L315C56-I58 PolarHBondContact O-N 2.92Å; C56-I58 VanDerWaalsContact O-N 3.07Å; I58-N250 CarbonylContact C-O 3.58Å; I58-N250 VanDerWaalsContact CA-O 3.31Å; I58-N250 WeakPolarHBondContact CA-O 3.49Å; I58-N250 HydrophobicContact CG1-CB 4.11Å; I58-V252 HydrophobicContact CG2-CG2 3.96Å; I58-L311 HydrophobicContact CD1-CD1 3.84Å; I58-L311 HydrophobicContact CG2-CD1 4.15Å; I58-L314 HydrophobicContact CD1-CB 4.5Å; I58-L314 HydrophobicContact CD1-CD1 4.37Å; I58-L315 HydrophobicContact CD1-CD1 4.3Å; I58-L315 HydrophobicContact CD1-CD2 3.87Å; I58-L315 HydrophobicContact CD1-CG 4.26Å
59D88.4Confident74.7Confident4 Ų442.8 Ų42.82%0.02122%0.216CC..EExtended strand (participates in β ladder)trans-110.3145.1161.1-83.9-35.7000110.7P175 L245 R248 N250 V251 V252D59-P175 WeakPolarHBondContact OD1-CB 3.44Å; D59-P175 WeakPolarHBondContact OD1-CD 3.2Å; D59-P175 WeakPolarHBondContact OD1-CG 3.32Å; D59-L245 HydrophobicContact CB-CD2 3.7Å; D59-L245 WeakPolarHBondContact OD2-CA 3.14Å; D59-L245 WeakPolarHBondContact OD2-CD2 3.47Å; D59-R248 VanDerWaalsContact CG-CD 3.44Å; D59-R248 WeakPolarHBondContact OD1-CD 3.34Å; D59-R248 IonicContact OD1-NE 3.85Å; D59-R248 WeakPolarHBondContact OD2-CB 3.34Å; D59-R248 WeakPolarHBondContact OD2-CD 3.48Å; D59-N250 PolarHBondContact N-O 3.17Å; D59-V251 HydrophobicContact CB-CG2 4.49Å; D59-V251 CarbonylContact O-C 3.58Å; D59-V251 VanDerWaalsContact O-CA 3.3Å; D59-V251 WeakPolarHBondContact O-CA 3.46Å; D59-V252 PolarHBondContact O-N 2.8Å
60V91.5Very high77.4Confident1 Ų138.7 Ų38.71%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-110128.7176.51730000108.9F165 V174 P175 V176 T177 V252 F254 L311V60-F165 HydrophobicContact CB-CZ 4.49Å; V60-F165 HydrophobicContact CG1-CE1 4.32Å; V60-F165 HydrophobicContact CG1-CZ 4.04Å; V60-F165 HydrophobicContact CG2-CZ 3.86Å; V60-V174 HydrophobicContact CG2-CG1 3.93Å; V60-P175 PolarHBondContact N-O 2.85Å; V60-V176 HydrophobicContact CB-CG2 4.18Å; V60-V176 HydrophobicContact CG1-CG1 4.19Å; V60-V176 HydrophobicContact CG1-CG2 4.47Å; V60-V176 CarbonylContact O-C 3.45Å; V60-V176 WeakPolarHBondContact O-CA 3.34Å; V60-T177 PolarHBondContact O-N 2.84Å; V60-V252 WeakPolarHBondContact CA-O 3.23Å; V60-F254 HydrophobicContact CG1-CD2 3.82Å; V60-F254 HydrophobicContact CG1-CE2 3.57Å; V60-L311 HydrophobicContact CG2-CD2 4.44Å
61V93.4Very high80Confident0 Ų032.9 Ų32.90%017%0.167CC..EExtended strand (participates in β ladder)trans-122.7131.5170.7-174.30000108.6T177 F179 F241 V251 V252 L253 F254 M263 L265V61-T177 CarbonylContact C-O 3.41Å; V61-T177 WeakPolarHBondContact CA-O 3.29Å; V61-F179 HydrophobicContact CG1-CB 4.12Å; V61-F241 HydrophobicContact CG2-CZ 4.22Å; V61-V251 HydrophobicContact CB-CG1 4.48Å; V61-V251 HydrophobicContact CG2-CG1 4.03Å; V61-V252 PolarHBondContact N-O 2.79Å; V61-L253 CarbonylContact O-C 3.53Å; V61-L253 VanDerWaalsContact O-CA 3.25Å; V61-L253 WeakPolarHBondContact O-CA 3.43Å; V61-F254 PolarHBondContact O-N 3.41Å; V61-M263 HydrophobicContact CG1-SD 4.12Å; V61-L265 HydrophobicContact CB-CD1 4.34Å; V61-L265 HydrophobicContact CG1-CD2 3.96Å; V61-L265 HydrophobicContact CG2-CD1 3.94Å; V61-L265 HydrophobicContact CG2-CD2 4.31Å
62S95.8Very high82.7Confident1 Ų125.2 Ų25.21%0.00714%0.14CC..EExtended strand (participates in β ladder)trans-141.8139.9-174.7-170.90000111.1T67 I68 T177 I178 F179 F254S62-T67 WeakPolarHBondContact OG-CG2 3.49Å; S62-I68 WeakPolarHBondContact OG-CD1 3.04Å; S62-I68 WeakPolarHBondContact OG-CG1 3.33Å; S62-T177 PolarHBondContact N-O 2.86Å; S62-I178 CarbonylContact O-C 3.6Å; S62-I178 VanDerWaalsContact O-CA 3.27Å; S62-I178 WeakPolarHBondContact O-CA 3.47Å; S62-F179 PolarHBondContact O-N 2.78Å; S62-F254 WeakPolarHBondContact CA-O 3.46Å; S62-F254 WeakPolarHBondContact OG-CB 3.38Å
63D97.2Very high85.2Confident6 Ų620.6 Ų20.63%0.03211%0.109CC..  trans-65.8166.9154.4177.461.6000110.9D65 T67 I68 K230 F254 M263D63-D65 PolarHBondContact OD2-N 3.36Å; D63-T67 HydrophobicContact CB-CG2 4.28Å; D63-T67 WeakPolarHBondContact CB-OG1 3.14Å; D63-T67 WeakPolarHBondContact O-CG2 3.2Å; D63-T67 PolarHBondContact OD2-OG1 3.45Å; D63-I68 WeakPolarHBondContact O-CD1 3.38Å; D63-I68 WeakPolarHBondContact O-CG1 3.47Å; D63-K230 IonicContact OD1-NZ 3.87Å; D63-K230 PolarHBondContact OD1-NZ 3.08Å; D63-F254 PolarHBondContact N-O 3.32Å; D63-M263 HydrophobicContact CB-CE 4.18Å
64F98.1Very high87.6Confident0 Ų019 Ų190%012%0.116CC..  trans-106.8-54.2177.5-174.5-98.1000114.4F66 I68 S69 T82 I156 L158 I178 I187 L190 F191F64-F66 PolarHBondContact O-N 2.63Å; F64-I68 HydrophobicContact CD2-CB 4.16Å; F64-I68 HydrophobicContact CD2-CD1 4.36Å; F64-I68 HydrophobicContact CD2-CG2 4.1Å; F64-I68 HydrophobicContact CE2-CG2 4.06Å; F64-I68 PolarHBondContact O-N 3.48Å; F64-S69 PolarHBondContact O-N 2.74Å; F64-S69 PolarHBondContact O-OG 2.91Å; F64-T82 HydrophobicContact CD1-CG2 3.72Å; F64-T82 HydrophobicContact CE1-CG2 3.8Å; F64-I156 HydrophobicContact CE1-CG2 4.2Å; F64-I156 HydrophobicContact CZ-CG2 4.31Å; F64-L158 HydrophobicContact CE2-CD2 4.3Å; F64-L158 HydrophobicContact CZ-CD2 4.44Å; F64-I178 HydrophobicContact CB-CG2 3.73Å; F64-I178 HydrophobicContact CD2-CG2 4.31Å; F64-I178 HydrophobicContact CG-CG2 4.43Å; F64-I187 HydrophobicContact CB-CD1 3.88Å; F64-I187 HydrophobicContact CB-CG1 4.48Å; F64-I187 HydrophobicContact CD1-CD1 4.03Å; F64-I187 HydrophobicContact CD1-CG1 3.78Å; F64-I187 HydrophobicContact CD2-CD1 4.47Å; F64-I187 HydrophobicContact CD2-CG1 4.29Å; F64-I187 HydrophobicContact CD2-CG2 3.89Å; F64-I187 HydrophobicContact CE1-CG1 4.02Å; F64-I187 HydrophobicContact CE2-CG2 3.96Å; F64-I187 HydrophobicContact CG-CD1 3.86Å; F64-I187 HydrophobicContact CG-CG1 3.91Å; F64-I187 HydrophobicContact CG-CG2 4.33Å; F64-I187 HydrophobicContact CZ-CG1 4.38Å; F64-I187 HydrophobicContact CZ-CG2 4.46Å; F64-L190 HydrophobicContact CE1-CD1 4.1Å; F64-L190 HydrophobicContact CZ-CD1 3.99Å; F64-F191 HydrophobicContact CD2-CE2 4.41Å; F64-F191 AromaticContact CE2-CE2 3.99Å; F64-F191 HydrophobicContact CE2-CE2 3.99Å; F64-F191 HydrophobicContact CE2-CZ 4.03Å
65D98.1Very high90Very high16 Ų1622.8 Ų22.89%0.08614%0.138CC..THydrogen-bonded Turntrans-74.2119.3-169.4-81.6-45.1000108.5D63 T67 S69 T81 T82D63-D65 PolarHBondContact OD2-N 3.36Å; D65-T67 PolarHBondContact O-N 2.87Å; D65-S69 WeakPolarHBondContact CA-OG 3.26Å; D65-T81 HydrophobicContact CB-CG2 4.26Å; D65-T81 WeakPolarHBondContact OD1-CA 3.46Å; D65-T82 WeakPolarHBondContact OD1-CG2 3.24Å; D65-T82 PolarHBondContact OD1-N 2.82Å; D65-T82 PolarHBondContact OD2-N 3.4Å; D65-T82 PolarHBondContact OD2-OG1 2.92Å
66F97.5Very high92Very high19 Ų1922.7 Ų22.78%0.08315%0.147CC..THydrogen-bonded Turntrans63.1-5.7-176.3-46.8-38.6000117.1F64 S69 Y71 R78 T81 R159 D256 N280F64-F66 PolarHBondContact O-N 2.63Å; F66-S69 CarbonylContact C-O 3.58Å; F66-S69 WeakPolarHBondContact CA-O 3.4Å; F66-S69 PolarHBondContact N-OG 2.87Å; F66-Y71 HydrophobicContact CB-CD2 4.44Å; F66-Y71 HydrophobicContact CD1-CD2 4.11Å; F66-Y71 HydrophobicContact CD2-CD2 4.08Å; F66-Y71 HydrophobicContact CE1-CD2 4.35Å; F66-Y71 HydrophobicContact CE2-CD2 4.33Å; F66-Y71 AromaticContact CG-CD2 3.95Å; F66-Y71 HydrophobicContact CG-CD2 3.95Å; F66-Y71 HydrophobicContact CZ-CD2 4.45Å; F66-R78 VanDerWaalsContact CZ-CZ 3.4Å; F66-R78 VanDerWaalsContact CZ-NH2 3.28Å; F66-T81 HydrophobicContact CD2-CG2 4.28Å; F66-T81 HydrophobicContact CE1-CG2 4.14Å; F66-T81 HydrophobicContact CE2-CG2 3.35Å; F66-T81 HydrophobicContact CZ-CG2 3.26Å; F66-R159 PolarHBondContact O-NH2 3Å; F66-D256 HydrophobicContact CB-CB 4.38Å; F66-D256 WeakPolarHBondContact CB-OD2 3.37Å; F66-N280 WeakPolarHBondContact CB-ND2 3.47Å; F66-N280 PolarHBondContact O-ND2 3.37Å
67T97.8Very high93.7Very high0 Ų026.4 Ų26.40%016%0.164CC..THydrogen-bonded Turntrans-89.4-64.9167.3-62.60000111.4S62 D63 D65 R159 F254 G255 D256 F278S62-T67 WeakPolarHBondContact OG-CG2 3.49Å; D63-T67 HydrophobicContact CB-CG2 4.28Å; D63-T67 WeakPolarHBondContact CB-OG1 3.14Å; D63-T67 WeakPolarHBondContact O-CG2 3.2Å; D63-T67 PolarHBondContact OD2-OG1 3.45Å; D65-T67 PolarHBondContact O-N 2.87Å; T67-R159 WeakPolarHBondContact O-CD 3.02Å; T67-R159 PolarHBondContact O-NE 3.46Å; T67-F254 HydrophobicContact CG2-CB 3.7Å; T67-G255 VanDerWaalsContact OG1-C 3.25Å; T67-G255 WeakPolarHBondContact OG1-CA 3.3Å; T67-D256 WeakPolarHBondContact OG1-CB 3.31Å; T67-D256 PolarHBondContact OG1-N 2.95Å; T67-D256 PolarHBondContact OG1-OD1 3.21Å; T67-F278 HydrophobicContact CG2-CD2 3.89Å; T67-F278 HydrophobicContact CG2-CE2 3.98Å
68I97.4Very high94.6Very high0 Ų030.9 Ų30.90%018%0.179CC..THydrogen-bonded Turntrans-85.6-43.2175.5-75.8168.2000110.3S62 D63 F64 L158 R159 F162 I178S62-I68 WeakPolarHBondContact OG-CD1 3.04Å; S62-I68 WeakPolarHBondContact OG-CG1 3.33Å; D63-I68 WeakPolarHBondContact O-CD1 3.38Å; D63-I68 WeakPolarHBondContact O-CG1 3.47Å; F64-I68 HydrophobicContact CD2-CB 4.16Å; F64-I68 HydrophobicContact CD2-CD1 4.36Å; F64-I68 HydrophobicContact CD2-CG2 4.1Å; F64-I68 HydrophobicContact CE2-CG2 4.06Å; F64-I68 PolarHBondContact O-N 3.48Å; I68-L158 HydrophobicContact CG2-CD2 3.69Å; I68-R159 WeakPolarHBondContact O-CG 3.44Å; I68-R159 PolarHBondContact O-N 3.36Å; I68-F162 HydrophobicContact CB-CE1 4.29Å; I68-F162 HydrophobicContact CB-CE2 4.48Å; I68-F162 HydrophobicContact CB-CZ 4.28Å; I68-F162 HydrophobicContact CD1-CE1 3.96Å; I68-F162 HydrophobicContact CD1-CE2 3.78Å; I68-F162 HydrophobicContact CD1-CZ 3.32Å; I68-F162 HydrophobicContact CG1-CD2 4.11Å; I68-F162 HydrophobicContact CG1-CE1 4.06Å; I68-F162 HydrophobicContact CG1-CE2 3.58Å; I68-F162 HydrophobicContact CG1-CZ 3.55Å; I68-F162 HydrophobicContact CG2-CD1 3.45Å; I68-F162 VanDerWaalsContact CG2-CD1 3.45Å; I68-F162 HydrophobicContact CG2-CD2 4.32Å; I68-F162 HydrophobicContact CG2-CE1 3.29Å; I68-F162 HydrophobicContact CG2-CE2 4.25Å; I68-F162 HydrophobicContact CG2-CG 3.97Å; I68-F162 HydrophobicContact CG2-CZ 3.75Å; I68-I178 HydrophobicContact CD1-CD1 3.23Å; I68-I178 HydrophobicContact CD1-CG1 4.42Å
69S97.9Very high95.3Very high0 Ų031 Ų310%018%0.179CC..BIsolated β-bridgetrans-75.5149.3170.156.90000110F64 D65 F66 E157F64-S69 PolarHBondContact O-N 2.74Å; F64-S69 PolarHBondContact O-OG 2.91Å; D65-S69 WeakPolarHBondContact CA-OG 3.26Å; F66-S69 CarbonylContact C-O 3.58Å; F66-S69 WeakPolarHBondContact CA-O 3.4Å; F66-S69 PolarHBondContact N-OG 2.87Å; S69-E157 CarbonylContact C-O 3.56Å; S69-E157 WeakPolarHBondContact CA-O 3.2Å
70K97.5Very high95.7Very high25 Ų2532.9 Ų32.911%0.10919%0.186CC..  trans-71.5143.8176.2-65.4-177.3-169.91640109.8L79 E157 L158 R159 N160K70-L79 HydrophobicContact CB-CD1 3.57Å; K70-L79 HydrophobicContact CD-CD1 4.46Å; K70-E157 HydrophobicContact CD-CB 3.94Å; K70-E157 HydrophobicContact CG-CB 4.3Å; K70-E157 PolarHBondContact N-O 2.98Å; K70-E157 IonicContact NZ-OE2 3.96Å; K70-E157 PolarHBondContact NZ-OE2 3.49Å; K70-L158 WeakPolarHBondContact CE-O 3.31Å; K70-R159 HydrophobicContact CG-CB 4.49Å; K70-R159 HydrophobicContact CG-CG 4Å; K70-N160 WeakPolarHBondContact CE-OD1 3.08Å; K70-N160 PolarHBondContact NZ-OD1 3.35Å
71Y97.1Very high96.1Very high56 Ų5633.9 Ų33.922%0.2219%0.192CC..SBendtrans-70.6-41.1170.5174.9-98.5000112.8F66 R78 L79 N280 H281F66-Y71 HydrophobicContact CB-CD2 4.44Å; F66-Y71 HydrophobicContact CD1-CD2 4.11Å; F66-Y71 HydrophobicContact CD2-CD2 4.08Å; F66-Y71 HydrophobicContact CE1-CD2 4.35Å; F66-Y71 HydrophobicContact CE2-CD2 4.33Å; F66-Y71 AromaticContact CG-CD2 3.95Å; F66-Y71 HydrophobicContact CG-CD2 3.95Å; F66-Y71 HydrophobicContact CZ-CD2 4.45Å; Y71-R78 HydrophobicContact CE2-CG 4.19Å; Y71-R78 WeakPolarHBondContact O-CA 3.5Å; Y71-L79 PolarHBondContact O-N 3.1Å; Y71-N280 HydrophobicContact CD1-CB 4.14Å; Y71-N280 HydrophobicContact CD2-CB 3.88Å; Y71-N280 HydrophobicContact CG-CB 3.62Å; Y71-H281 HydrophobicContact CE1-CB 4.25Å; Y71-H281 AromaticContact CE2-CD2 3.87Å
72A95.8Very high96.3Very high12 Ų1233.9 Ų33.910%0.09919%0.192CC..BIsolated β-bridgetrans-140154.4179.900000111E77A72-E77 CarbonylContact C-O 3.29Å; A72-E77 WeakPolarHBondContact CA-O 3.38Å; A72-E77 WeakPolarHBondContact CB-O 3.39Å
73N94Very high96.4Very high28 Ų2834.2 Ų34.215%0.1519%0.194CC..  trans-79.7-178.7172.469.96.7000111.5T75 G76 E77 L79N73-T75 PolarHBondContact ND2-OG1 2.87Å; N73-T75 PolarHBondContact O-N 2.95Å; N73-T75 VanDerWaalsContact O-N 3.13Å; N73-T75 WeakPolarHBondContact OD1-CA 3.09Å; N73-T75 PolarHBondContact OD1-N 2.96Å; N73-T75 PolarHBondContact OD1-OG1 2.83Å; N73-G76 PolarHBondContact O-N 3.09Å; N73-G76 PolarHBondContact OD1-N 3.4Å; N73-E77 PolarHBondContact N-O 3.38Å; N73-E77 PolarHBondContact OD1-N 3.45Å; N73-E77 PolarHBondContact OD1-O 3.23Å; N73-L79 HydrophobicContact CB-CD1 4.34Å; N73-L79 HydrophobicContact CB-CD2 4.21Å; N73-L79 HydrophobicContact CB-CG 4.33Å
74S90.6Very high96.5Very high127 Ų12734.2 Ų34.289%0.88819%0.194SC*.THydrogen-bonded Turntrans-64.5-14.717958.60000114.6
75T92.7Very high96.5Very high107 Ų10734.3 Ų34.366%0.65619%0.194SC*.THydrogen-bonded Turntrans-93.81.8175.967.90000112.7N73 E77N73-T75 PolarHBondContact ND2-OG1 2.87Å; N73-T75 PolarHBondContact O-N 2.95Å; N73-T75 VanDerWaalsContact O-N 3.13Å; N73-T75 WeakPolarHBondContact OD1-CA 3.09Å; N73-T75 PolarHBondContact OD1-N 2.96Å; N73-T75 PolarHBondContact OD1-OG1 2.83Å; T75-E77 VanDerWaalsContact C-N 3.3Å
76G91.9Very high96.5Very high60 Ų6033.6 Ų33.662%0.61919%0.19SC*.SBendtrans79.88.3-177.400000114.2N73N73-G76 PolarHBondContact O-N 3.09Å; N73-G76 PolarHBondContact OD1-N 3.4Å
77E94.9Very high96.5Very high84 Ų8433 Ų3339%0.39319%0.188SC..  trans-78.9129.8175.6-168.8-179171.500110.2A72 N73 T75 L79 R155A72-E77 CarbonylContact C-O 3.29Å; A72-E77 WeakPolarHBondContact CA-O 3.38Å; A72-E77 WeakPolarHBondContact CB-O 3.39Å; N73-E77 PolarHBondContact N-O 3.38Å; N73-E77 PolarHBondContact OD1-N 3.45Å; N73-E77 PolarHBondContact OD1-O 3.23Å; T75-E77 VanDerWaalsContact C-N 3.3Å; E77-L79 PolarHBondContact O-N 3.09Å; E77-R155 IonicContact OE1-CZ 2.83Å; E77-R155 IonicContact OE1-NH1 2.72Å; E77-R155 PolarHBondContact OE1-NH1 3.02Å; E77-R155 IonicContact OE1-NH2 3.22Å; E77-R155 PolarHBondContact OE1-NH2 3.01Å; E77-R155 IonicContact OE2-CZ 3.32Å; E77-R155 IonicContact OE2-NH1 3.58Å; E77-R155 IonicContact OE2-NH2 2.73Å; E77-R155 PolarHBondContact OE2-NH2 2.88Å
78R95.8Very high96.5Very high102 Ų10235 Ų3539%0.38520%0.198SC..BIsolated β-bridgetrans-62.6127.5177.2-170.4-171.3170.3-88.316.1110F66 Y71 D84F66-R78 VanDerWaalsContact CZ-CZ 3.4Å; F66-R78 VanDerWaalsContact CZ-NH2 3.28Å; Y71-R78 HydrophobicContact CE2-CG 4.19Å; Y71-R78 WeakPolarHBondContact O-CA 3.5Å; R78-D84 IonicContact CZ-OD2 2.78Å; R78-D84 IonicContact NH1-OD2 3.24Å; R78-D84 PolarHBondContact NH1-OD2 2.9Å; R78-D84 IonicContact NH2-OD2 3.09Å
79L97.7Very high96.6Very high2 Ų235.4 Ų35.41%0.0120%0.201CC..  trans-81.1174.5174.6-70.1168.2000110.6K70 Y71 N73 E77 R155 E157K70-L79 HydrophobicContact CB-CD1 3.57Å; K70-L79 HydrophobicContact CD-CD1 4.46Å; Y71-L79 PolarHBondContact O-N 3.1Å; N73-L79 HydrophobicContact CB-CD1 4.34Å; N73-L79 HydrophobicContact CB-CD2 4.21Å; N73-L79 HydrophobicContact CB-CG 4.33Å; E77-L79 PolarHBondContact O-N 3.09Å; L79-R155 WeakPolarHBondContact CB-O 3.19Å; L79-R155 HydrophobicContact CD2-CB 4.29Å; L79-R155 VanDerWaalsContact CD2-O 3.26Å; L79-R155 WeakPolarHBondContact CD2-O 3.39Å; L79-E157 HydrophobicContact CD1-CB 3.91Å; L79-E157 HydrophobicContact CD1-CG 4.1Å; L79-E157 HydrophobicContact CD2-CG 4.44Å
80W98.1Very high96.6Very high45 Ų4535.4 Ų35.417%0.1720%0.201CC..  trans-86.1147.7-174.7-67.7-3.6000111.7D84 V85 Q88 R155 I156W80-D84 HydrophobicContact CB-CB 3.63Å; W80-D84 HydrophobicContact CG-CB 3.88Å; W80-V85 HydrophobicContact CE3-CG2 4.1Å; W80-Q88 HydrophobicContact CD2-CG 4.32Å; W80-Q88 HydrophobicContact CE3-CG 4.46Å; W80-Q88 HydrophobicContact CH2-CB 3.9Å; W80-Q88 HydrophobicContact CH2-CG 3.78Å; W80-Q88 HydrophobicContact CZ2-CB 4.22Å; W80-Q88 HydrophobicContact CZ2-CG 3.57Å; W80-Q88 HydrophobicContact CZ3-CB 4.18Å; W80-Q88 HydrophobicContact CZ3-CG 4.21Å; W80-R155 HydrophobicContact CD2-CB 3.66Å; W80-R155 HydrophobicContact CD2-CG 4.05Å; W80-R155 HydrophobicContact CE3-CB 4.04Å; W80-R155 HydrophobicContact CE3-CG 4.22Å; W80-R155 HydrophobicContact CG-CB 3.94Å; W80-R155 HydrophobicContact CH2-CB 4.48Å; W80-R155 HydrophobicContact CH2-CG 3.81Å; W80-R155 HydrophobicContact CZ2-CB 4.15Å; W80-R155 HydrophobicContact CZ2-CG 3.61Å; W80-R155 HydrophobicContact CZ3-CB 4.43Å; W80-R155 HydrophobicContact CZ3-CG 4.12Å; W80-R155 PolarHBondContact N-O 3.24Å; W80-I156 HydrophobicContact CB-CG1 3.91Å; W80-I156 WeakPolarHBondContact O-CG1 3.46Å
81T98.2Very high96.6Very high22 Ų2240 Ų4014%0.13522%0.218CC..  trans-79.7170.1155.764.40000110.9D65 F66 H83 D84 V85D65-T81 HydrophobicContact CB-CG2 4.26Å; D65-T81 WeakPolarHBondContact OD1-CA 3.46Å; F66-T81 HydrophobicContact CD2-CG2 4.28Å; F66-T81 HydrophobicContact CE1-CG2 4.14Å; F66-T81 HydrophobicContact CE2-CG2 3.35Å; F66-T81 HydrophobicContact CZ-CG2 3.26Å; T81-H83 PolarHBondContact O-N 3.2Å; T81-H83 PolarHBondContact OG1-N 3.45Å; T81-D84 PolarHBondContact N-OD2 3.15Å; T81-D84 WeakPolarHBondContact O-CB 3.44Å; T81-D84 PolarHBondContact O-N 3.31Å; T81-D84 VanDerWaalsContact O-N 3.11Å; T81-D84 PolarHBondContact OG1-N 2.8Å; T81-D84 PolarHBondContact OG1-OD2 3.19Å; T81-V85 PolarHBondContact O-N 2.98Å
82T98.6Very high96.6Very high0 Ų043.3 Ų43.30%024%0.244CC..Hα-helixtrans-57.1-35170.256.50000113F64 D65 V85 F86 G182 I183 I186 I187F64-T82 HydrophobicContact CD1-CG2 3.72Å; F64-T82 HydrophobicContact CE1-CG2 3.8Å; D65-T82 WeakPolarHBondContact OD1-CG2 3.24Å; D65-T82 PolarHBondContact OD1-N 2.82Å; D65-T82 PolarHBondContact OD2-N 3.4Å; D65-T82 PolarHBondContact OD2-OG1 2.92Å; T82-V85 WeakPolarHBondContact O-CB 3.47Å; T82-F86 WeakPolarHBondContact O-CD2 3.36Å; T82-G182 WeakPolarHBondContact OG1-CA 3.45Å; T82-I183 PolarHBondContact OG1-N 3.41Å; T82-I186 HydrophobicContact CG2-CG2 3.8Å; T82-I187 HydrophobicContact CG2-CD1 4.12Å; T82-I187 HydrophobicContact CG2-CG1 3.57Å
83H98.2Very high96.6Very high8 Ų846.8 Ų46.84%0.03726%0.26CS..Hα-helixtrans-71.7-39.3172-72.982.2000112.8T81 V85 F86 D87 W130 H134 A181T81-H83 PolarHBondContact O-N 3.2Å; T81-H83 PolarHBondContact OG1-N 3.45Å; H83-V85 PolarHBondContact O-N 3.25Å; H83-V85 VanDerWaalsContact O-N 3.16Å; H83-F86 PolarHBondContact O-N 3.49Å; H83-D87 PolarHBondContact O-N 2.95Å; H83-W130 HydrophobicContact CB-CZ3 4.41Å; H83-W130 AromaticContact CD2-CE3 3.69Å; H83-W130 AromaticContact CD2-CZ3 3.35Å; H83-W130 WeakPolarHBondContact CD2-CZ3 3.34Å; H83-W130 AromaticContact CE1-CE3 3.95Å; H83-W130 AromaticContact CE1-CZ3 3.78Å; H83-W130 AromaticContact CG-CZ3 3.75Å; H83-W130 AromaticContact NE2-CE3 3.3Å; H83-W130 VanDerWaalsContact NE2-CE3 3.3Å; H83-W130 AromaticContact NE2-CZ3 3.36Å; H83-W130 WeakPolarHBondContact NE2-CZ3 3.36Å; H83-H134 AromaticContact NE2-CD2 3.8Å; H83-H134 AromaticContact NE2-NE2 3.3Å; H83-H134 PolarHBondContact NE2-NE2 2.99Å; H83-A181 PolarHBondContact CE1-O 3.45Å
84D98.2Very high96.7Very high6 Ų650 Ų503%0.03227%0.272CS..Hα-helixtrans-56.6-33.2175.9-74.2-40.5000111.3R78 W80 T81 F86 D87 Q88 R105R78-D84 IonicContact CZ-OD2 2.78Å; R78-D84 IonicContact NH1-OD2 3.24Å; R78-D84 PolarHBondContact NH1-OD2 2.9Å; R78-D84 IonicContact NH2-OD2 3.09Å; W80-D84 HydrophobicContact CB-CB 3.63Å; W80-D84 HydrophobicContact CG-CB 3.88Å; T81-D84 PolarHBondContact N-OD2 3.15Å; T81-D84 WeakPolarHBondContact O-CB 3.44Å; T81-D84 PolarHBondContact O-N 3.31Å; T81-D84 VanDerWaalsContact O-N 3.11Å; T81-D84 PolarHBondContact OG1-N 2.8Å; T81-D84 PolarHBondContact OG1-OD2 3.19Å; D84-F86 PolarHBondContact O-N 3.39Å; D84-D87 PolarHBondContact O-N 3.06Å; D84-Q88 WeakPolarHBondContact O-CG 3.49Å; D84-Q88 PolarHBondContact O-N 2.94Å; D84-R105 IonicContact OD1-CZ 3.57Å; D84-R105 VanDerWaalsContact OD1-CZ 3.29Å; D84-R105 IonicContact OD1-NH1 2.68Å; D84-R105 PolarHBondContact OD1-NH1 2.77Å; D84-R105 IonicContact OD1-NH2 2.65Å; D84-R105 PolarHBondContact OD1-NH2 2.87Å
85V98.5Very high97Very high1 Ų148.4 Ų48.41%0.00625%0.252CS..Hα-helixtrans-57.4-47.8173.5176.30000111.3W80 T81 T82 H83 G89 L150 A154 I156 I186W80-V85 HydrophobicContact CE3-CG2 4.1Å; T81-V85 PolarHBondContact O-N 2.98Å; T82-V85 WeakPolarHBondContact O-CB 3.47Å; H83-V85 PolarHBondContact O-N 3.25Å; H83-V85 VanDerWaalsContact O-N 3.16Å; V85-G89 PolarHBondContact O-N 2.95Å; V85-L150 HydrophobicContact CG1-CB 3.75Å; V85-L150 HydrophobicContact CG1-CD2 4.3Å; V85-L150 HydrophobicContact CG1-CG 4.45Å; V85-A154 HydrophobicContact CG1-CB 4.32Å; V85-A154 HydrophobicContact CG2-CB 3.68Å; V85-I156 HydrophobicContact CG2-CD1 3.5Å; V85-I156 HydrophobicContact CG2-CG1 4.16Å; V85-I186 HydrophobicContact CB-CG1 4.49Å; V85-I186 HydrophobicContact CG1-CD1 3.99Å; V85-I186 HydrophobicContact CG1-CG1 4.08Å
86F98.6Very high97.2Very high1 Ų151.2 Ų51.20%0.00426%0.258CS..Hα-helixtrans-71.6-38.7178.4-73.1-85.1000111.6T82 H83 D84 Q88 G89 I90 I137 F142 L147 L150 I183 I186 F209T82-F86 WeakPolarHBondContact O-CD2 3.36Å; H83-F86 PolarHBondContact O-N 3.49Å; D84-F86 PolarHBondContact O-N 3.39Å; F86-Q88 VanDerWaalsContact C-N 3.31Å; F86-Q88 PolarHBondContact O-N 3.21Å; F86-G89 CarbonylContact O-C 3.58Å; F86-G89 WeakPolarHBondContact O-CA 3.49Å; F86-G89 PolarHBondContact O-N 2.74Å; F86-G89 VanDerWaalsContact O-N 3.09Å; F86-I90 VanDerWaalsContact O-CG1 3.23Å; F86-I90 WeakPolarHBondContact O-CG1 3.4Å; F86-I90 PolarHBondContact O-N 3.27Å; F86-I137 HydrophobicContact CB-CD1 3.75Å; F86-I137 HydrophobicContact CB-CG1 3.91Å; F86-I137 HydrophobicContact CD1-CD1 4.19Å; F86-I137 HydrophobicContact CD1-CG1 4.29Å; F86-I137 HydrophobicContact CD1-CG2 3.72Å; F86-I137 HydrophobicContact CD2-CD1 4.19Å; F86-I137 HydrophobicContact CE1-CG2 4.04Å; F86-I137 HydrophobicContact CG-CD1 3.77Å; F86-I137 HydrophobicContact CG-CG1 4.17Å; F86-I137 HydrophobicContact CG-CG2 4.37Å; F86-F142 AromaticContact CD1-CD2 3.87Å; F86-F142 HydrophobicContact CD1-CD2 3.87Å; F86-F142 AromaticContact CD1-CE2 3.79Å; F86-F142 HydrophobicContact CD1-CE2 3.79Å; F86-F142 HydrophobicContact CD1-CZ 4.44Å; F86-F142 HydrophobicContact CE1-CD2 4.24Å; F86-L147 HydrophobicContact CZ-CD1 4.04Å; F86-L150 HydrophobicContact CD1-CD1 4.02Å; F86-L150 HydrophobicContact CE1-CD1 3.9Å; F86-I183 HydrophobicContact CD2-CD1 3.34Å; F86-I183 HydrophobicContact CE2-CB 4.13Å; F86-I183 HydrophobicContact CE2-CD1 3.58Å; F86-I183 HydrophobicContact CE2-CG1 4.46Å; F86-I183 HydrophobicContact CE2-CG2 3.79Å; F86-I183 HydrophobicContact CG-CD1 4.17Å; F86-I183 HydrophobicContact CZ-CG2 4.25Å; F86-I186 HydrophobicContact CE2-CB 3.85Å; F86-I186 HydrophobicContact CE2-CG1 4.46Å; F86-I186 HydrophobicContact CE2-CG2 3.81Å; F86-I186 HydrophobicContact CZ-CB 4.26Å; F86-F209 AromaticContact CE1-CE1 4Å; F86-F209 HydrophobicContact CE1-CE1 4Å; F86-F209 HydrophobicContact CE1-CZ 4.36Å; F86-F209 HydrophobicContact CE2-CE1 4.3Å; F86-F209 AromaticContact CZ-CE1 3.49Å; F86-F209 HydrophobicContact CZ-CE1 3.49Å; F86-F209 VanDerWaalsContact CZ-CE1 3.49Å; F86-F209 AromaticContact CZ-CZ 3.98Å; F86-F209 HydrophobicContact CZ-CZ 3.98Å
87D98Very high97.5Very high8 Ų848.8 Ų48.84%0.04323%0.23CC..Hα-helixtrans-57.4-45.9176.1-67.55.1000110.9H83 D84 I90 R91 Y98 V101 R105H83-D87 PolarHBondContact O-N 2.95Å; D84-D87 PolarHBondContact O-N 3.06Å; D87-I90 PolarHBondContact O-N 2.85Å; D87-R91 WeakPolarHBondContact O-CB 3.42Å; D87-R91 PolarHBondContact O-N 3Å; D87-Y98 HydrophobicContact CB-CE2 4.27Å; D87-Y98 WeakPolarHBondContact O-CD2 3.47Å; D87-Y98 WeakPolarHBondContact O-CE2 3.38Å; D87-V101 HydrophobicContact CB-CG1 4.34Å; D87-V101 VanDerWaalsContact CG-CG1 3.46Å; D87-V101 WeakPolarHBondContact OD1-CG1 3.39Å; D87-V101 WeakPolarHBondContact OD2-CG1 3.45Å; D87-R105 IonicContact OD2-CZ 3.59Å; D87-R105 IonicContact OD2-NE 3.97Å; D87-R105 IonicContact OD2-NH2 2.86Å; D87-R105 PolarHBondContact OD2-NH2 3.34Å
88Q97.9Very high97.7Very high42 Ų4246.5 Ų46.520%0.19622%0.218CC..Hα-helixtrans-69.2-33.9176-63-47.6-57.900112.5W80 D84 F86 R91 V92W80-Q88 HydrophobicContact CD2-CG 4.32Å; W80-Q88 HydrophobicContact CE3-CG 4.46Å; W80-Q88 HydrophobicContact CH2-CB 3.9Å; W80-Q88 HydrophobicContact CH2-CG 3.78Å; W80-Q88 HydrophobicContact CZ2-CB 4.22Å; W80-Q88 HydrophobicContact CZ2-CG 3.57Å; W80-Q88 HydrophobicContact CZ3-CB 4.18Å; W80-Q88 HydrophobicContact CZ3-CG 4.21Å; D84-Q88 WeakPolarHBondContact O-CG 3.49Å; D84-Q88 PolarHBondContact O-N 2.94Å; F86-Q88 VanDerWaalsContact C-N 3.31Å; F86-Q88 PolarHBondContact O-N 3.21Å; Q88-R91 WeakPolarHBondContact O-CB 3.36Å; Q88-R91 PolarHBondContact O-N 3.42Å; Q88-V92 WeakPolarHBondContact O-CG2 3.35Å; Q88-V92 PolarHBondContact O-N 3.37Å
89G98.1Very high97.8Very high7 Ų747.6 Ų47.67%0.07223%0.228CC..Hα-helixtrans-58.3-5016900000112.1V85 F86 R91 V92 I93V85-G89 PolarHBondContact O-N 2.95Å; F86-G89 CarbonylContact O-C 3.58Å; F86-G89 WeakPolarHBondContact O-CA 3.49Å; F86-G89 PolarHBondContact O-N 2.74Å; F86-G89 VanDerWaalsContact O-N 3.09Å; G89-R91 VanDerWaalsContact C-N 3.3Å; G89-R91 PolarHBondContact O-N 2.7Å; G89-V92 PolarHBondContact O-N 3.3Å; G89-V92 VanDerWaalsContact O-N 3.09Å; G89-I93 WeakPolarHBondContact O-CG1 3.21Å; G89-I93 PolarHBondContact O-N 3Å
90I98.5Very high97.8Very high0 Ų050.7 Ų50.70%024%0.242CC..Hα-helixtrans-61.3-42.6-179-68170.3000109.4F86 D87 V92 I93 K94 L97 V101 C136 I137 A140 F142F86-I90 VanDerWaalsContact O-CG1 3.23Å; F86-I90 WeakPolarHBondContact O-CG1 3.4Å; F86-I90 PolarHBondContact O-N 3.27Å; D87-I90 PolarHBondContact O-N 2.85Å; I90-V92 PolarHBondContact O-N 3.43Å; I90-I93 PolarHBondContact O-N 3.49Å; I90-K94 CarbonylContact O-C 3.56Å; I90-K94 VanDerWaalsContact O-C 3.29Å; I90-K94 WeakPolarHBondContact O-CA 3.08Å; I90-K94 PolarHBondContact O-N 3.26Å; I90-L97 HydrophobicContact CG2-CB 3.78Å; I90-L97 HydrophobicContact CG2-CD2 4.18Å; I90-L97 HydrophobicContact CG2-CG 3.93Å; I90-V101 HydrophobicContact CD1-CG2 4.17Å; I90-C136 HydrophobicContact CD1-CB 4.21Å; I90-I137 HydrophobicContact CD1-CG1 4.26Å; I90-A140 HydrophobicContact CD1-CB 4.4Å; I90-A140 HydrophobicContact CG1-CB 3.8Å; I90-F142 HydrophobicContact CD1-CE2 4.47Å; I90-F142 HydrophobicContact CG1-CE2 3.72Å; I90-F142 HydrophobicContact CG1-CZ 3.77Å
91R98Very high97.8Very high123 Ų12348.8 Ų48.846%0.46424%0.236SC..Hα-helixtrans-53.2-39.3175.5-173.7-177.7171.1-165.5-2.1113D87 Q88 G89 M95 Y98D87-R91 WeakPolarHBondContact O-CB 3.42Å; D87-R91 PolarHBondContact O-N 3Å; Q88-R91 WeakPolarHBondContact O-CB 3.36Å; Q88-R91 PolarHBondContact O-N 3.42Å; G89-R91 VanDerWaalsContact C-N 3.3Å; G89-R91 PolarHBondContact O-N 2.7Å; R91-M95 HydrophobicContact CG-CE 3.92Å; R91-M95 HydrophobicContact CG-SD 4.16Å; R91-M95 WeakPolarHBondContact O-CE 3.46Å; R91-Y98 HydrophobicContact CB-CD1 4.06Å; R91-Y98 HydrophobicContact CB-CD2 3.63Å; R91-Y98 HydrophobicContact CB-CE1 4.31Å; R91-Y98 HydrophobicContact CB-CE2 3.88Å; R91-Y98 HydrophobicContact CB-CG 3.7Å; R91-Y98 HydrophobicContact CG-CD1 3.84Å; R91-Y98 HydrophobicContact CG-CD2 4.29Å; R91-Y98 HydrophobicContact CG-CE1 3.92Å; R91-Y98 HydrophobicContact CG-CE2 4.33Å; R91-Y98 HydrophobicContact CG-CG 4.02Å
92V96.8Very high97.8Very high125 Ų12550.9 Ų50.976%0.75824%0.244SC*.Hα-helixtrans-74.6-39.6-179.2173.80000111.6Q88 G89 I90Q88-V92 WeakPolarHBondContact O-CG2 3.35Å; Q88-V92 PolarHBondContact O-N 3.37Å; G89-V92 PolarHBondContact O-N 3.3Å; G89-V92 VanDerWaalsContact O-N 3.09Å; I90-V92 PolarHBondContact O-N 3.43Å
93I96.1Very high97.8Very high85 Ų8553.9 Ų53.944%0.43627%0.269SS..Hα-helixtrans-98.2-28.5-170.166.4173.7000114.5G89 I90 A140 F142G89-I93 WeakPolarHBondContact O-CG1 3.21Å; G89-I93 PolarHBondContact O-N 3Å; I90-I93 PolarHBondContact O-N 3.49Å; I93-A140 HydrophobicContact CD1-CB 4.07Å; I93-F142 HydrophobicContact CD1-CD1 3.9Å; I93-F142 HydrophobicContact CD1-CE1 3.44Å; I93-F142 VanDerWaalsContact CD1-CE1 3.44Å; I93-F142 HydrophobicContact CD1-CE2 4.47Å; I93-F142 HydrophobicContact CD1-CZ 3.77Å; I93-F142 HydrophobicContact CG1-CE1 4.32Å; I93-F142 HydrophobicContact CG1-CZ 4.47Å
94K96.5Very high97.9Very high94 Ų9454.4 Ų54.441%0.40927%0.272SS..  trans-151.784.4-175.5-65.1-169.3-167.3-179.40111.3I90 E96 L97 Y98 R139 A140I90-K94 CarbonylContact O-C 3.56Å; I90-K94 VanDerWaalsContact O-C 3.29Å; I90-K94 WeakPolarHBondContact O-CA 3.08Å; I90-K94 PolarHBondContact O-N 3.26Å; K94-E96 PolarHBondContact O-N 3.07Å; K94-L97 HydrophobicContact CB-CB 4.02Å; K94-L97 HydrophobicContact CD-CD2 4.45Å; K94-L97 WeakPolarHBondContact O-CB 3.5Å; K94-L97 PolarHBondContact O-N 3.27Å; K94-L97 VanDerWaalsContact O-N 3.09Å; K94-Y98 PolarHBondContact O-N 2.9Å; K94-Y98 VanDerWaalsContact O-N 3.14Å; K94-R139 PolarHBondContact NZ-O 2.98Å; K94-A140 VanDerWaalsContact CE-O 3.24Å; K94-A140 WeakPolarHBondContact CE-O 3.37Å; K94-A140 PolarHBondContact NZ-O 3.35Å
95M96.7Very high97.8Very high95 Ų9557.1 Ų57.147%0.46828%0.282SS..Hα-helixtrans-57.4-41.1-176.7-170.363.16900113.9R91 L97 Y98 E99R91-M95 HydrophobicContact CG-CE 3.92Å; R91-M95 HydrophobicContact CG-SD 4.16Å; R91-M95 WeakPolarHBondContact O-CE 3.46Å; M95-L97 PolarHBondContact O-N 2.78Å; M95-Y98 WeakPolarHBondContact O-CA 3.39Å; M95-Y98 VanDerWaalsContact O-CB 3.31Å; M95-Y98 WeakPolarHBondContact O-CB 3.47Å; M95-Y98 PolarHBondContact O-N 3.44Å; M95-Y98 HydrophobicContact SD-CD1 3.87Å; M95-E99 PolarHBondContact O-N 3.49Å
96E97.1Very high97.8Very high166 Ų16660.5 Ų60.578%0.77631%0.31SS*.Hα-helixtrans-58-37.8177.5-64175-178.100112.1K94 E99 E100K94-E96 PolarHBondContact O-N 3.07Å; E96-E99 PolarHBondContact O-N 3.18Å; E96-E100 PolarHBondContact O-N 3.39Å
97L97.7Very high97.8Very high8 Ų866.5 Ų66.54%0.04234%0.336CS..Hα-helixtrans-74.5-29.8177.4-167.559.5000111.7I90 K94 M95 E100 V101 C136 R139 A140I90-L97 HydrophobicContact CG2-CB 3.78Å; I90-L97 HydrophobicContact CG2-CD2 4.18Å; I90-L97 HydrophobicContact CG2-CG 3.93Å; K94-L97 HydrophobicContact CB-CB 4.02Å; K94-L97 HydrophobicContact CD-CD2 4.45Å; K94-L97 WeakPolarHBondContact O-CB 3.5Å; K94-L97 PolarHBondContact O-N 3.27Å; K94-L97 VanDerWaalsContact O-N 3.09Å; M95-L97 PolarHBondContact O-N 2.78Å; L97-E100 HydrophobicContact CD1-CB 4.5Å; L97-E100 WeakPolarHBondContact CD1-OE2 3.48Å; L97-E100 WeakPolarHBondContact O-CB 3.23Å; L97-E100 PolarHBondContact O-N 3.46Å; L97-V101 WeakPolarHBondContact O-CG2 3.45Å; L97-V101 PolarHBondContact O-N 3.14Å; L97-C136 HydrophobicContact CD1-CB 3.86Å; L97-C136 HydrophobicContact CD2-CB 4.33Å; L97-C136 WeakPolarHBondContact CD2-O 3.5Å; L97-C136 HydrophobicContact CG-CB 3.96Å; L97-R139 HydrophobicContact CD2-CB 3.93Å; L97-A140 HydrophobicContact CD2-CB 4Å
98Y98.4Very high97.8Very high36 Ų3666.5 Ų66.514%0.14134%0.336CS..Hα-helixtrans-66.6-39.3172.1178.9-109000111.6D87 R91 K94 M95 E100 V101 Q102D87-Y98 HydrophobicContact CB-CE2 4.27Å; D87-Y98 WeakPolarHBondContact O-CD2 3.47Å; D87-Y98 WeakPolarHBondContact O-CE2 3.38Å; R91-Y98 HydrophobicContact CB-CD1 4.06Å; R91-Y98 HydrophobicContact CB-CD2 3.63Å; R91-Y98 HydrophobicContact CB-CE1 4.31Å; R91-Y98 HydrophobicContact CB-CE2 3.88Å; R91-Y98 HydrophobicContact CB-CG 3.7Å; R91-Y98 HydrophobicContact CG-CD1 3.84Å; R91-Y98 HydrophobicContact CG-CD2 4.29Å; R91-Y98 HydrophobicContact CG-CE1 3.92Å; R91-Y98 HydrophobicContact CG-CE2 4.33Å; R91-Y98 HydrophobicContact CG-CG 4.02Å; K94-Y98 PolarHBondContact O-N 2.9Å; K94-Y98 VanDerWaalsContact O-N 3.14Å; M95-Y98 WeakPolarHBondContact O-CA 3.39Å; M95-Y98 VanDerWaalsContact O-CB 3.31Å; M95-Y98 WeakPolarHBondContact O-CB 3.47Å; M95-Y98 PolarHBondContact O-N 3.44Å; M95-Y98 HydrophobicContact SD-CD1 3.87Å; Y98-E100 VanDerWaalsContact C-N 3.3Å; Y98-E100 PolarHBondContact O-N 2.81Å; Y98-V101 PolarHBondContact O-N 3.07Å; Y98-Q102 HydrophobicContact CD1-CG 4.21Å; Y98-Q102 HydrophobicContact CE1-CG 3.82Å; Y98-Q102 HydrophobicContact CE2-CG 4.26Å; Y98-Q102 VanDerWaalsContact CE2-NE2 3.25Å; Y98-Q102 VanDerWaalsContact CZ-NE2 3.31Å; Y98-Q102 WeakPolarHBondContact O-CG 3.41Å; Y98-Q102 PolarHBondContact O-N 2.85Å; Y98-Q102 PolarHBondContact OH-NE2 3.17Å
99E98.4Very high97.7Very high126 Ų12668 Ų6859%0.58934%0.344SS*.Hα-helixtrans-60.3-40.3173.2-67.5174.6175.400111.6M95 E96 Q102 A103M95-E99 PolarHBondContact O-N 3.49Å; E96-E99 PolarHBondContact O-N 3.18Å; E99-Q102 PolarHBondContact O-N 2.97Å; E99-A103 WeakPolarHBondContact O-CB 3.35Å; E99-A103 PolarHBondContact O-N 3.31Å
100E98.3Very high97.6Very high67 Ų6771.5 Ų71.531%0.31337%0.366SS..Hα-helixtrans-59.6-48.1172.8-170.4178159.500111.3E96 L97 Y98 Q102 A103 L104 R139E96-E100 PolarHBondContact O-N 3.39Å; L97-E100 HydrophobicContact CD1-CB 4.5Å; L97-E100 WeakPolarHBondContact CD1-OE2 3.48Å; L97-E100 WeakPolarHBondContact O-CB 3.23Å; L97-E100 PolarHBondContact O-N 3.46Å; Y98-E100 VanDerWaalsContact C-N 3.3Å; Y98-E100 PolarHBondContact O-N 2.81Å; E100-Q102 VanDerWaalsContact C-N 3.34Å; E100-Q102 PolarHBondContact O-N 3.4Å; E100-A103 PolarHBondContact O-N 2.92Å; E100-L104 WeakPolarHBondContact O-CG 3.32Å; E100-L104 PolarHBondContact O-N 3.33Å; E100-R139 VanDerWaalsContact CD-NH1 3.33Å; E100-R139 IonicContact OE1-NH1 3.11Å; E100-R139 PolarHBondContact OE1-NH1 3.2Å; E100-R139 VanDerWaalsContact OE1-NH1 3.09Å; E100-R139 IonicContact OE2-CZ 3.12Å; E100-R139 IonicContact OE2-NH1 3.34Å; E100-R139 PolarHBondContact OE2-NH1 3.18Å; E100-R139 IonicContact OE2-NH2 2.65Å; E100-R139 PolarHBondContact OE2-NH2 2.84Å
101V98.1Very high97.5Very high5 Ų572.9 Ų72.93%0.0337%0.373CS..Hα-helixtrans-59.7-41.9176.3171.10000112.1D87 I90 L97 Y98 L104 R105 C136D87-V101 HydrophobicContact CB-CG1 4.34Å; D87-V101 VanDerWaalsContact CG-CG1 3.46Å; D87-V101 WeakPolarHBondContact OD1-CG1 3.39Å; D87-V101 WeakPolarHBondContact OD2-CG1 3.45Å; I90-V101 HydrophobicContact CD1-CG2 4.17Å; L97-V101 WeakPolarHBondContact O-CG2 3.45Å; L97-V101 PolarHBondContact O-N 3.14Å; Y98-V101 PolarHBondContact O-N 3.07Å; V101-L104 PolarHBondContact O-N 3.48Å; V101-R105 PolarHBondContact O-N 3.2Å; V101-C136 HydrophobicContact CG2-CB 3.62Å
102Q98.2Very high97.2Very high65 Ų6567.8 Ų67.830%0.30436%0.355SS..Hα-helixtrans-65.2-39.8176.5-67.6-53.2-55.800111.9Y98 E99 E100 R105 A106Y98-Q102 HydrophobicContact CD1-CG 4.21Å; Y98-Q102 HydrophobicContact CE1-CG 3.82Å; Y98-Q102 HydrophobicContact CE2-CG 4.26Å; Y98-Q102 VanDerWaalsContact CE2-NE2 3.25Å; Y98-Q102 VanDerWaalsContact CZ-NE2 3.31Å; Y98-Q102 WeakPolarHBondContact O-CG 3.41Å; Y98-Q102 PolarHBondContact O-N 2.85Å; Y98-Q102 PolarHBondContact OH-NE2 3.17Å; E99-Q102 PolarHBondContact O-N 2.97Å; E100-Q102 VanDerWaalsContact C-N 3.34Å; E100-Q102 PolarHBondContact O-N 3.4Å; Q102-R105 PolarHBondContact O-N 2.91Å; Q102-A106 WeakPolarHBondContact O-CB 3.39Å; Q102-A106 PolarHBondContact O-N 2.79Å
103A98.5Very high96.8Very high64 Ų6467.9 Ų67.953%0.52935%0.345SS..Hα-helixtrans-63.9-40.6175.600000111.9E99 E100 A106 K107E99-A103 WeakPolarHBondContact O-CB 3.35Å; E99-A103 PolarHBondContact O-N 3.31Å; E100-A103 PolarHBondContact O-N 2.92Å; A103-A106 PolarHBondContact O-N 2.88Å; A103-K107 WeakPolarHBondContact O-CB 3.31Å; A103-K107 PolarHBondContact O-N 2.93Å; A103-K107 VanDerWaalsContact O-N 3.12Å
104L98.5Very high96.5Very high19 Ų1965.2 Ų65.210%0.09933%0.334CS..Hα-helixtrans-60.5-49.5173-66.5172.3000111E100 V101 A106 K107 Y108 L132E100-L104 WeakPolarHBondContact O-CG 3.32Å; E100-L104 PolarHBondContact O-N 3.33Å; V101-L104 PolarHBondContact O-N 3.48Å; L104-A106 PolarHBondContact O-N 2.77Å; L104-K107 PolarHBondContact O-N 3.19Å; L104-K107 VanDerWaalsContact O-N 3.16Å; L104-Y108 HydrophobicContact CB-CD2 4.46Å; L104-Y108 HydrophobicContact CD2-CD2 4.38Å; L104-Y108 HydrophobicContact CD2-CE2 3.92Å; L104-Y108 VanDerWaalsContact O-CD2 3.25Å; L104-Y108 WeakPolarHBondContact O-CD2 3.35Å; L104-Y108 PolarHBondContact O-N 2.82Å; L104-L132 HydrophobicContact CD1-CB 3.66Å; L104-L132 HydrophobicContact CD2-CB 3.89Å; L104-L132 HydrophobicContact CD2-CD1 3.62Å; L104-L132 HydrophobicContact CD2-CG 4.39Å; L104-L132 HydrophobicContact CG-CB 4.45Å
105R97.5Very high96.1Very high62 Ų6266.7 Ų66.723%0.23435%0.351CS..Hα-helixtrans-57.9-46.9178-175.7-179.7-68.2-146-3.8111.6D84 D87 V101 Q102 K107 Y108 L109 W129D84-R105 IonicContact OD1-CZ 3.57Å; D84-R105 VanDerWaalsContact OD1-CZ 3.29Å; D84-R105 IonicContact OD1-NH1 2.68Å; D84-R105 PolarHBondContact OD1-NH1 2.77Å; D84-R105 IonicContact OD1-NH2 2.65Å; D84-R105 PolarHBondContact OD1-NH2 2.87Å; D87-R105 IonicContact OD2-CZ 3.59Å; D87-R105 IonicContact OD2-NE 3.97Å; D87-R105 IonicContact OD2-NH2 2.86Å; D87-R105 PolarHBondContact OD2-NH2 3.34Å; V101-R105 PolarHBondContact O-N 3.2Å; Q102-R105 PolarHBondContact O-N 2.91Å; R105-K107 PolarHBondContact O-N 3.44Å; R105-Y108 PolarHBondContact O-N 2.79Å; R105-L109 HydrophobicContact CG-CB 4.37Å; R105-L109 HydrophobicContact CG-CD2 4.4Å; R105-L109 WeakPolarHBondContact O-CB 3.5Å; R105-L109 PolarHBondContact O-N 2.84Å; R105-W129 HydrophobicContact CB-CZ2 4.31Å; R105-W129 HydrophobicContact CG-CZ2 4.3Å
106A98.1Very high95.9Very high73 Ų7370 Ų7060%0.60337%0.365SS*.Hα-helixtrans-60.1-34179.100000112.8Q102 A103 L104 P110Q102-A106 WeakPolarHBondContact O-CB 3.39Å; Q102-A106 PolarHBondContact O-N 2.79Å; A103-A106 PolarHBondContact O-N 2.88Å; L104-A106 PolarHBondContact O-N 2.77Å; A106-P110 WeakPolarHBondContact O-CD 3.39Å
107K98.2Very high95.7Very high126 Ų12664.6 Ų64.655%0.54834%0.341SS..Hα-helixtrans-77.3-46.6178.5179.1177.7176.4-172.60113.1A103 L104 R105A103-K107 WeakPolarHBondContact O-CB 3.31Å; A103-K107 PolarHBondContact O-N 2.93Å; A103-K107 VanDerWaalsContact O-N 3.12Å; L104-K107 PolarHBondContact O-N 3.19Å; L104-K107 VanDerWaalsContact O-N 3.16Å; R105-K107 PolarHBondContact O-N 3.44Å
108Y98.2Very high95.5Very high9 Ų966.4 Ų66.44%0.03535%0.354CS..Hα-helixtrans-98.4-26.2-165.3-69.9-75.1000114.3L104 R105 I111 E112 H125 T128 W129L104-Y108 HydrophobicContact CB-CD2 4.46Å; L104-Y108 HydrophobicContact CD2-CD2 4.38Å; L104-Y108 HydrophobicContact CD2-CE2 3.92Å; L104-Y108 VanDerWaalsContact O-CD2 3.25Å; L104-Y108 WeakPolarHBondContact O-CD2 3.35Å; L104-Y108 PolarHBondContact O-N 2.82Å; R105-Y108 PolarHBondContact O-N 2.79Å; Y108-I111 HydrophobicContact CD1-CD1 4.17Å; Y108-I111 WeakPolarHBondContact O-CB 3.37Å; Y108-I111 PolarHBondContact O-N 2.79Å; Y108-E112 PolarHBondContact O-N 3.47Å; Y108-E112 VanDerWaalsContact O-N 3.08Å; Y108-H125 HydrophobicContact CD1-CB 4.06Å; Y108-H125 WeakPolarHBondContact CD1-O 3.33Å; Y108-H125 HydrophobicContact CE1-CB 4.16Å; Y108-H125 WeakPolarHBondContact CE1-O 3.35Å; Y108-T128 VanDerWaalsContact OH-CG2 3.25Å; Y108-T128 WeakPolarHBondContact OH-CG2 3.42Å; Y108-W129 VanDerWaalsContact CB-CE3 3.44Å; Y108-W129 VanDerWaalsContact CB-CG 3.45Å; Y108-W129 HydrophobicContact CD1-CB 3.89Å; Y108-W129 HydrophobicContact CD1-CG 4.47Å; Y108-W129 HydrophobicContact CD2-CB 3.62Å; Y108-W129 AromaticContact CD2-CD1 3.7Å; Y108-W129 HydrophobicContact CD2-CD2 4.33Å; Y108-W129 AromaticContact CD2-CG 3.59Å; Y108-W129 HydrophobicContact CD2-CG 3.59Å; Y108-W129 HydrophobicContact CE1-CB 4.37Å; Y108-W129 HydrophobicContact CE2-CB 4.17Å; Y108-W129 HydrophobicContact CE2-CG 4.48Å; Y108-W129 HydrophobicContact CG-CB 3.5Å; Y108-W129 VanDerWaalsContact CG-CB 3.5Å; Y108-W129 HydrophobicContact CG-CD2 4.05Å; Y108-W129 HydrophobicContact CG-CE3 4.46Å; Y108-W129 AromaticContact CG-CG 3.62Å; Y108-W129 HydrophobicContact CG-CG 3.62Å
109L95.2Very high95.1Very high72 Ų7267.4 Ų67.438%0.37736%0.361SS..Hα-helixtrans-58.9-42.7178.3-168.776.8000112.7R105 I111 E112 F113 W129R105-L109 HydrophobicContact CG-CB 4.37Å; R105-L109 HydrophobicContact CG-CD2 4.4Å; R105-L109 WeakPolarHBondContact O-CB 3.5Å; R105-L109 PolarHBondContact O-N 2.84Å; L109-I111 PolarHBondContact O-N 3.02Å; L109-E112 PolarHBondContact O-N 2.8Å; L109-F113 HydrophobicContact CD1-CD2 4.16Å; L109-F113 HydrophobicContact CD1-CE2 3.67Å; L109-F113 HydrophobicContact CG-CD2 4.2Å; L109-F113 HydrophobicContact CG-CE2 4.19Å; L109-F113 WeakPolarHBondContact O-CD2 3.29Å; L109-F113 PolarHBondContact O-N 3.42Å; L109-W129 HydrophobicContact CB-CH2 4.18Å; L109-W129 HydrophobicContact CD1-CH2 3.82Å; L109-W129 HydrophobicContact CD1-CZ3 4.49Å
110P96.2Very high94.8Very high81 Ų8168 Ų6853%0.52636%0.364SS..Hα-helixtrans-63.2-29.6175.1-22.535.3000113.4A106 S114A106-P110 WeakPolarHBondContact O-CD 3.39Å; P110-S114 WeakPolarHBondContact O-CB 3.1Å; P110-S114 PolarHBondContact O-N 2.79Å
111I96.6Very high94.7Very high30 Ų3069.8 Ų69.815%0.15437%0.372CS..Hα-helixtrans-71.2-43.9178.8-62.4173.7000110.2Y108 L109 F113 S114 M117 K122 H125 M126Y108-I111 HydrophobicContact CD1-CD1 4.17Å; Y108-I111 WeakPolarHBondContact O-CB 3.37Å; Y108-I111 PolarHBondContact O-N 2.79Å; L109-I111 PolarHBondContact O-N 3.02Å; I111-F113 VanDerWaalsContact C-N 3.32Å; I111-F113 PolarHBondContact O-N 3.37Å; I111-S114 WeakPolarHBondContact O-CB 3.3Å; I111-S114 PolarHBondContact O-N 3.24Å; I111-M117 HydrophobicContact CG2-CE 3.9Å; I111-M117 HydrophobicContact CG2-SD 3.84Å; I111-K122 HydrophobicContact CG2-CG 4.29Å; I111-K122 WeakPolarHBondContact O-CD 3.41Å; I111-K122 VanDerWaalsContact O-CE 3.26Å; I111-K122 WeakPolarHBondContact O-CE 3.48Å; I111-H125 HydrophobicContact CD1-CB 4.41Å; I111-H125 HydrophobicContact CG2-CB 3.82Å; I111-M126 HydrophobicContact CB-CE 4.49Å; I111-M126 HydrophobicContact CG2-CE 4.36Å
112E92.6Very high94.6Very high16 Ų1670.5 Ų70.58%0.07538%0.375CS..Hα-helixtrans-54.2-50.4175.2-170.9173-15700110.5Y108 L109 S114 K122 M126 W129 T227 Y228Y108-E112 PolarHBondContact O-N 3.47Å; Y108-E112 VanDerWaalsContact O-N 3.08Å; L109-E112 PolarHBondContact O-N 2.8Å; E112-S114 VanDerWaalsContact C-N 3.35Å; E112-S114 PolarHBondContact O-N 3.13Å; E112-K122 PolarHBondContact O-NZ 3.21Å; E112-M126 HydrophobicContact CB-CE 3.9Å; E112-M126 HydrophobicContact CB-SD 3.76Å; E112-M126 HydrophobicContact CG-SD 3.83Å; E112-W129 WeakPolarHBondContact OE2-CZ3 3.27Å; E112-T227 WeakPolarHBondContact OE1-CB 3.47Å; E112-T227 PolarHBondContact OE1-OG1 3.15Å; E112-Y228 HydrophobicContact CG-CE2 4.43Å; E112-Y228 WeakPolarHBondContact CG-OH 3.5Å; E112-Y228 PolarHBondContact O-OH 3.22Å
113F88.7Confident94.4Very high127 Ų12769.6 Ų69.656%0.55737%0.372SS*.THydrogen-bonded Turntrans-87.64.9-176.9-63.7-71.4000115.3L109 I111 T115L109-F113 HydrophobicContact CD1-CD2 4.16Å; L109-F113 HydrophobicContact CD1-CE2 3.67Å; L109-F113 HydrophobicContact CG-CD2 4.2Å; L109-F113 HydrophobicContact CG-CE2 4.19Å; L109-F113 WeakPolarHBondContact O-CD2 3.29Å; L109-F113 PolarHBondContact O-N 3.42Å; I111-F113 VanDerWaalsContact C-N 3.32Å; I111-F113 PolarHBondContact O-N 3.37Å; F113-T115 PolarHBondContact O-N 2.85Å
114S90Very high94.4Very high28 Ų2869.9 Ų69.920%0.19637%0.368CS..  trans-61131-178.4177.20000112.3P110 I111 E112 E116 M117 K122P110-S114 WeakPolarHBondContact O-CB 3.1Å; P110-S114 PolarHBondContact O-N 2.79Å; I111-S114 WeakPolarHBondContact O-CB 3.3Å; I111-S114 PolarHBondContact O-N 3.24Å; E112-S114 VanDerWaalsContact C-N 3.35Å; E112-S114 PolarHBondContact O-N 3.13Å; S114-E116 PolarHBondContact OG-N 3.33Å; S114-M117 PolarHBondContact OG-N 2.84Å; S114-K122 WeakPolarHBondContact O-CE 3.33Å; S114-K122 PolarHBondContact O-NZ 3.35Å
115T87.3Confident94.3Very high126 Ų12672.3 Ų72.377%0.77338%0.379SS*.SBendtrans-84.2-14.7171.450.90000113.1F113F113-T115 PolarHBondContact O-N 2.85Å
116E92.3Very high94.3Very high165 Ų16569.4 Ų69.477%0.77137%0.368SS*.SBendtrans-90.5-15.7-174.2-53.4-51.1120.300112.9S114S114-E116 PolarHBondContact OG-N 3.33Å
117M93.5Very high94.3Very high52 Ų5269.6 Ų69.626%0.25636%0.356SS..SBendtrans-103.5136.7179.1-66176.169.600110.8I111 S114 E121 K122I111-M117 HydrophobicContact CG2-CE 3.9Å; I111-M117 HydrophobicContact CG2-SD 3.84Å; S114-M117 PolarHBondContact OG-N 2.84Å; M117-E121 HydrophobicContact CB-CB 4.41Å; M117-E121 HydrophobicContact CE-CB 3.92Å; M117-K122 HydrophobicContact CB-CD 4.49Å; M117-K122 HydrophobicContact CB-CG 3.91Å; M117-K122 HydrophobicContact CE-CG 4.29Å; M117-K122 VanDerWaalsContact O-CE 3.31Å; M117-K122 WeakPolarHBondContact O-CE 3.49Å
118S92.5Very high94.3Very high46 Ų4666.5 Ų66.532%0.32235%0.348SS..  trans-63.5163.816864.60000111.6E120 E121 K122S118-E120 VanDerWaalsContact C-N 3.27Å; S118-E120 WeakPolarHBondContact CB-OE2 3.17Å; S118-E120 PolarHBondContact O-N 3.18Å; S118-E121 WeakPolarHBondContact CB-OE2 3.35Å; S118-E121 PolarHBondContact N-OE2 2.65Å; S118-E121 PolarHBondContact O-N 3.12Å; S118-E121 WeakPolarHBondContact OG-CB 3.23Å; S118-E121 WeakPolarHBondContact OG-CG 3.36Å; S118-E121 PolarHBondContact OG-N 2.86Å; S118-E121 PolarHBondContact OG-OE2 2.97Å; S118-K122 VanDerWaalsContact O-CG 3.31Å; S118-K122 WeakPolarHBondContact O-CG 3.22Å; S118-K122 PolarHBondContact O-N 3.47Å
119I90Very high94.3Very high57 Ų5766.7 Ų66.729%0.29235%0.348SS..Hα-helixtrans-63.5-41.6176.1-67.5174.6000109.4E121 K122 I123 Y228I119-E121 VanDerWaalsContact C-N 3.3Å; I119-E121 PolarHBondContact O-N 3.36Å; I119-K122 PolarHBondContact O-N 3.03Å; I119-I123 HydrophobicContact CG2-CD1 4.14Å; I119-I123 HydrophobicContact CG2-CG1 4.32Å; I119-I123 WeakPolarHBondContact O-CG1 3.26Å; I119-I123 PolarHBondContact O-N 3.39Å; I119-Y228 HydrophobicContact CG2-CD1 4.13Å; I119-Y228 HydrophobicContact CG2-CG 3.99Å
120E92.9Very high94.4Very high137 Ų13764.6 Ų64.664%0.6434%0.336SS*.Hα-helixtrans-58.9-40.9-179.9-64.770.4-156.700111.7S118 P124S118-E120 VanDerWaalsContact C-N 3.27Å; S118-E120 WeakPolarHBondContact CB-OE2 3.17Å; S118-E120 PolarHBondContact O-N 3.18Å; E120-P124 WeakPolarHBondContact O-CD 3.45Å
121E96.2Very high94.5Very high106 Ų10665.9 Ų65.950%0.49533%0.33SS..Hα-helixtrans-70.1-31.9175.5-72.5164.213500112.7M117 S118 I119 H125M117-E121 HydrophobicContact CB-CB 4.41Å; M117-E121 HydrophobicContact CE-CB 3.92Å; S118-E121 WeakPolarHBondContact CB-OE2 3.35Å; S118-E121 PolarHBondContact N-OE2 2.65Å; S118-E121 PolarHBondContact O-N 3.12Å; S118-E121 WeakPolarHBondContact OG-CB 3.23Å; S118-E121 WeakPolarHBondContact OG-CG 3.36Å; S118-E121 PolarHBondContact OG-N 2.86Å; S118-E121 PolarHBondContact OG-OE2 2.97Å; I119-E121 VanDerWaalsContact C-N 3.3Å; I119-E121 PolarHBondContact O-N 3.36Å; E121-H125 PolarHBondContact O-CD2 3.28Å; E121-H125 VanDerWaalsContact O-CD2 3.25Å
122K95.2Very high94.6Very high19 Ų1967.6 Ų67.68%0.08334%0.339CS..Hα-helixtrans-76.6-30.5-179.8-68.9173.4-175.8-172.90113.4I111 E112 S114 M117 S118 I119 H125 M126 Y228I111-K122 HydrophobicContact CG2-CG 4.29Å; I111-K122 WeakPolarHBondContact O-CD 3.41Å; I111-K122 VanDerWaalsContact O-CE 3.26Å; I111-K122 WeakPolarHBondContact O-CE 3.48Å; E112-K122 PolarHBondContact O-NZ 3.21Å; S114-K122 WeakPolarHBondContact O-CE 3.33Å; S114-K122 PolarHBondContact O-NZ 3.35Å; M117-K122 HydrophobicContact CB-CD 4.49Å; M117-K122 HydrophobicContact CB-CG 3.91Å; M117-K122 HydrophobicContact CE-CG 4.29Å; M117-K122 VanDerWaalsContact O-CE 3.31Å; M117-K122 WeakPolarHBondContact O-CE 3.49Å; S118-K122 VanDerWaalsContact O-CG 3.31Å; S118-K122 WeakPolarHBondContact O-CG 3.22Å; S118-K122 PolarHBondContact O-N 3.47Å; I119-K122 PolarHBondContact O-N 3.03Å; K122-H125 WeakPolarHBondContact O-CB 3.43Å; K122-H125 PolarHBondContact O-N 2.98Å; K122-H125 VanDerWaalsContact O-N 3.08Å; K122-M126 PolarHBondContact O-N 2.96Å; K122-Y228 HydrophobicContact CB-CD2 4.21Å; K122-Y228 HydrophobicContact CB-CE2 3.82Å; K122-Y228 HydrophobicContact CD-CE2 3.95Å
123I94.6Very high94.9Very high47 Ų4767.2 Ų67.224%0.24134%0.338CS..Hα-helixtrans-51.8-53.2-174.2-74.3165.7000112.2I119 H125 M126 E127I119-I123 HydrophobicContact CG2-CD1 4.14Å; I119-I123 HydrophobicContact CG2-CG1 4.32Å; I119-I123 WeakPolarHBondContact O-CG1 3.26Å; I119-I123 PolarHBondContact O-N 3.39Å; I123-H125 PolarHBondContact O-N 3.42Å; I123-M126 PolarHBondContact O-N 3.3Å; I123-E127 HydrophobicContact CG2-CG 4.4Å; I123-E127 PolarHBondContact O-N 3.3Å
124P97.6Very high95.3Very high70 Ų7061.6 Ų61.646%0.45531%0.314SS..Hα-helixtrans-60.9-31.4-179.3-23.533.9000113.6E120 T128E120-P124 WeakPolarHBondContact O-CD 3.45Å; P124-T128 WeakPolarHBondContact O-CB 3.4Å; P124-T128 PolarHBondContact O-N 3.16Å; P124-T128 PolarHBondContact O-OG1 3.48Å
125H98Very high95.7Very high70 Ų7062.3 Ų62.332%0.32432%0.321SS..Hα-helixtrans-70.4-41.7176-68.1-71.2000111.8Y108 I111 E121 K122 I123 T128 W129Y108-H125 HydrophobicContact CD1-CB 4.06Å; Y108-H125 WeakPolarHBondContact CD1-O 3.33Å; Y108-H125 HydrophobicContact CE1-CB 4.16Å; Y108-H125 WeakPolarHBondContact CE1-O 3.35Å; I111-H125 HydrophobicContact CD1-CB 4.41Å; I111-H125 HydrophobicContact CG2-CB 3.82Å; E121-H125 PolarHBondContact O-CD2 3.28Å; E121-H125 VanDerWaalsContact O-CD2 3.25Å; K122-H125 WeakPolarHBondContact O-CB 3.43Å; K122-H125 PolarHBondContact O-N 2.98Å; K122-H125 VanDerWaalsContact O-N 3.08Å; I123-H125 PolarHBondContact O-N 3.42Å; H125-T128 PolarHBondContact O-N 3.21Å; H125-W129 WeakPolarHBondContact O-CB 3.45Å; H125-W129 PolarHBondContact O-N 3.11Å
126M96.6Very high96.3Very high0 Ų056.3 Ų56.30%029%0.285CS..Hα-helixtrans-65.5-41.2175.5-64.2-58.196.400111.4I111 E112 K122 I123 T128 W129 W130 H226 Y228I111-M126 HydrophobicContact CB-CE 4.49Å; I111-M126 HydrophobicContact CG2-CE 4.36Å; E112-M126 HydrophobicContact CB-CE 3.9Å; E112-M126 HydrophobicContact CB-SD 3.76Å; E112-M126 HydrophobicContact CG-SD 3.83Å; K122-M126 PolarHBondContact O-N 2.96Å; I123-M126 PolarHBondContact O-N 3.3Å; M126-T128 PolarHBondContact O-N 3.01Å; M126-W129 HydrophobicContact CE-CE3 3.81Å; M126-W129 HydrophobicContact CE-CZ3 4.34Å; M126-W129 PolarHBondContact O-N 3.39Å; M126-W129 HydrophobicContact SD-CE3 3.91Å; M126-W129 HydrophobicContact SD-CZ3 4.25Å; M126-W130 PolarHBondContact O-N 2.8Å; M126-H226 HydrophobicContact CB-CB 4.28Å; M126-Y228 HydrophobicContact CG-CD2 3.75Å; M126-Y228 HydrophobicContact CG-CE2 3.66Å; M126-Y228 HydrophobicContact SD-CE2 4.31Å
127E97.1Very high96.6Very high78 Ų7848.5 Ų48.536%0.36425%0.248SC..Hα-helixtrans-59.6-47.4174.2-69.9-174.4165.500111.7I123 R131 L224I123-E127 HydrophobicContact CG2-CG 4.4Å; I123-E127 PolarHBondContact O-N 3.3Å; E127-R131 WeakPolarHBondContact O-CB 3.43Å; E127-R131 WeakPolarHBondContact O-CD 3.47Å; E127-R131 WeakPolarHBondContact O-CG 3.45Å; E127-R131 PolarHBondContact O-N 3.47Å; E127-R131 VanDerWaalsContact O-N 3.09Å; E127-L224 HydrophobicContact CB-CD2 4.24Å; E127-L224 HydrophobicContact CG-CD2 4.31Å
128T98.3Very high96.8Very high60 Ų6048.1 Ų48.137%0.36825%0.249SC..Hα-helixtrans-62.2-46.9178.1-56.90000111.3Y108 P124 H125 M126 L132Y108-T128 VanDerWaalsContact OH-CG2 3.25Å; Y108-T128 WeakPolarHBondContact OH-CG2 3.42Å; P124-T128 WeakPolarHBondContact O-CB 3.4Å; P124-T128 PolarHBondContact O-N 3.16Å; P124-T128 PolarHBondContact O-OG1 3.48Å; H125-T128 PolarHBondContact O-N 3.21Å; M126-T128 PolarHBondContact O-N 3.01Å; T128-L132 HydrophobicContact CG2-CD1 3.83Å; T128-L132 HydrophobicContact CG2-CG 4.5Å; T128-L132 VanDerWaalsContact O-CG 3.27Å; T128-L132 WeakPolarHBondContact O-CG 3.48Å; T128-L132 PolarHBondContact O-N 2.83Å; T128-L132 VanDerWaalsContact O-N 3.11Å
129W98.3Very high97.1Very high13 Ų1352.4 Ų52.45%0.04926%0.258CS..Hα-helixtrans-59.3-54.3-178.4-177.614.6000111.4R105 Y108 L109 E112 H125 M126 R131 L132 A133R105-W129 HydrophobicContact CB-CZ2 4.31Å; R105-W129 HydrophobicContact CG-CZ2 4.3Å; Y108-W129 VanDerWaalsContact CB-CE3 3.44Å; Y108-W129 VanDerWaalsContact CB-CG 3.45Å; Y108-W129 HydrophobicContact CD1-CB 3.89Å; Y108-W129 HydrophobicContact CD1-CG 4.47Å; Y108-W129 HydrophobicContact CD2-CB 3.62Å; Y108-W129 AromaticContact CD2-CD1 3.7Å; Y108-W129 HydrophobicContact CD2-CD2 4.33Å; Y108-W129 AromaticContact CD2-CG 3.59Å; Y108-W129 HydrophobicContact CD2-CG 3.59Å; Y108-W129 HydrophobicContact CE1-CB 4.37Å; Y108-W129 HydrophobicContact CE2-CB 4.17Å; Y108-W129 HydrophobicContact CE2-CG 4.48Å; Y108-W129 HydrophobicContact CG-CB 3.5Å; Y108-W129 VanDerWaalsContact CG-CB 3.5Å; Y108-W129 HydrophobicContact CG-CD2 4.05Å; Y108-W129 HydrophobicContact CG-CE3 4.46Å; Y108-W129 AromaticContact CG-CG 3.62Å; Y108-W129 HydrophobicContact CG-CG 3.62Å; L109-W129 HydrophobicContact CB-CH2 4.18Å; L109-W129 HydrophobicContact CD1-CH2 3.82Å; L109-W129 HydrophobicContact CD1-CZ3 4.49Å; E112-W129 WeakPolarHBondContact OE2-CZ3 3.27Å; H125-W129 WeakPolarHBondContact O-CB 3.45Å; H125-W129 PolarHBondContact O-N 3.11Å; M126-W129 HydrophobicContact CE-CE3 3.81Å; M126-W129 HydrophobicContact CE-CZ3 4.34Å; M126-W129 PolarHBondContact O-N 3.39Å; M126-W129 HydrophobicContact SD-CE3 3.91Å; M126-W129 HydrophobicContact SD-CZ3 4.25Å; W129-R131 VanDerWaalsContact C-N 3.34Å; W129-R131 PolarHBondContact O-N 2.73Å; W129-L132 PolarHBondContact O-N 3.18Å; W129-A133 WeakPolarHBondContact O-CB 3.39Å; W129-A133 PolarHBondContact O-N 2.72Å
130W98.1Very high97.5Very high29 Ų2949.9 Ų49.911%0.1125%0.246CC..Hα-helixtrans-68.7-34.1-174.4-66.1123000112.3H83 M126 L132 A133 H134 L224 H226H83-W130 HydrophobicContact CB-CZ3 4.41Å; H83-W130 AromaticContact CD2-CE3 3.69Å; H83-W130 AromaticContact CD2-CZ3 3.35Å; H83-W130 WeakPolarHBondContact CD2-CZ3 3.34Å; H83-W130 AromaticContact CE1-CE3 3.95Å; H83-W130 AromaticContact CE1-CZ3 3.78Å; H83-W130 AromaticContact CG-CZ3 3.75Å; H83-W130 AromaticContact NE2-CE3 3.3Å; H83-W130 VanDerWaalsContact NE2-CE3 3.3Å; H83-W130 AromaticContact NE2-CZ3 3.36Å; H83-W130 WeakPolarHBondContact NE2-CZ3 3.36Å; M126-W130 PolarHBondContact O-N 2.8Å; W130-L132 PolarHBondContact O-N 3.29Å; W130-A133 HydrophobicContact CE3-CB 4.16Å; W130-A133 PolarHBondContact O-N 3.48Å; W130-H134 VanDerWaalsContact O-CB 3.25Å; W130-H134 WeakPolarHBondContact O-CB 3.42Å; W130-H134 PolarHBondContact O-N 3.06Å; W130-H134 PolarHBondContact O-ND1 3.49Å; W130-L224 HydrophobicContact CB-CD1 3.65Å; W130-L224 HydrophobicContact CB-CD2 4.01Å; W130-L224 HydrophobicContact CB-CG 4.41Å; W130-H226 VanDerWaalsContact CD1-CB 3.44Å
131R98.3Very high97.7Very high108 Ų10844.8 Ų44.841%0.40823%0.229SC..Hα-helixtrans-60-44.1171.6-73.2175.2-176.4-64.5-6112.2E127 W129 A135 E222 L224E127-R131 WeakPolarHBondContact O-CB 3.43Å; E127-R131 WeakPolarHBondContact O-CD 3.47Å; E127-R131 WeakPolarHBondContact O-CG 3.45Å; E127-R131 PolarHBondContact O-N 3.47Å; E127-R131 VanDerWaalsContact O-N 3.09Å; W129-R131 VanDerWaalsContact C-N 3.34Å; W129-R131 PolarHBondContact O-N 2.73Å; R131-A135 WeakPolarHBondContact O-CB 2.74Å; R131-A135 PolarHBondContact O-N 3.26Å; R131-E222 IonicContact CZ-OE1 2.68Å; R131-E222 IonicContact NH1-OE1 2.66Å; R131-E222 PolarHBondContact NH1-OE1 2.77Å; R131-E222 IonicContact NH1-OE2 3.6Å; R131-E222 IonicContact NH2-OE1 2.94Å; R131-E222 PolarHBondContact NH2-OE1 2.83Å; R131-E222 VanDerWaalsContact NH2-OE1 3.11Å; R131-E222 IonicContact NH2-OE2 3.29Å; R131-E222 PolarHBondContact NH2-OE2 2.82Å; R131-E222 VanDerWaalsContact NH2-OE2 3.12Å; R131-L224 HydrophobicContact CG-CD2 4.2Å
132L98.5Very high97.8Very high66 Ų6640 Ų4035%0.34621%0.207SC..Hα-helixtrans-68.8-41.7177.8-67.7170.5000111.8L104 T128 W129 W130 A135 C136L104-L132 HydrophobicContact CD1-CB 3.66Å; L104-L132 HydrophobicContact CD2-CB 3.89Å; L104-L132 HydrophobicContact CD2-CD1 3.62Å; L104-L132 HydrophobicContact CD2-CG 4.39Å; L104-L132 HydrophobicContact CG-CB 4.45Å; T128-L132 HydrophobicContact CG2-CD1 3.83Å; T128-L132 HydrophobicContact CG2-CG 4.5Å; T128-L132 VanDerWaalsContact O-CG 3.27Å; T128-L132 WeakPolarHBondContact O-CG 3.48Å; T128-L132 PolarHBondContact O-N 2.83Å; T128-L132 VanDerWaalsContact O-N 3.11Å; W129-L132 PolarHBondContact O-N 3.18Å; W130-L132 PolarHBondContact O-N 3.29Å; L132-A135 WeakPolarHBondContact O-CB 3.24Å; L132-A135 PolarHBondContact O-N 3.14Å; L132-C136 PolarHBondContact O-N 3.42Å; L132-C136 PolarHBondContact O-SG 3.32Å
133A98.1Very high97.9Very high7 Ų740.5 Ų40.56%0.05821%0.213CC..Hα-helixtrans-63.4-43.9176.100000111.8W129 W130 A135 C136 I137W129-A133 WeakPolarHBondContact O-CB 3.39Å; W129-A133 PolarHBondContact O-N 2.72Å; W130-A133 HydrophobicContact CE3-CB 4.16Å; W130-A133 PolarHBondContact O-N 3.48Å; A133-A135 VanDerWaalsContact C-N 3.34Å; A133-A135 PolarHBondContact O-N 3.37Å; A133-C136 VanDerWaalsContact O-CB 3.29Å; A133-C136 WeakPolarHBondContact O-CB 3.25Å; A133-C136 PolarHBondContact O-N 2.86Å; A133-C136 VanDerWaalsContact O-N 3.13Å; A133-I137 PolarHBondContact O-N 2.87Å
134H98.6Very high98Very high10 Ų1045.1 Ų45.15%0.04623%0.227CC..Hα-helixtrans-64-37.9174.6-70167.5000112.2H83 W130 C136 I137 V138 F220 L224H83-H134 AromaticContact NE2-CD2 3.8Å; H83-H134 AromaticContact NE2-NE2 3.3Å; H83-H134 PolarHBondContact NE2-NE2 2.99Å; W130-H134 VanDerWaalsContact O-CB 3.25Å; W130-H134 WeakPolarHBondContact O-CB 3.42Å; W130-H134 PolarHBondContact O-N 3.06Å; W130-H134 PolarHBondContact O-ND1 3.49Å; H134-C136 PolarHBondContact O-N 3.2Å; H134-I137 WeakPolarHBondContact O-CB 3.1Å; H134-I137 PolarHBondContact O-N 2.78Å; H134-I137 VanDerWaalsContact O-N 3.08Å; H134-V138 WeakPolarHBondContact O-CG2 3.39Å; H134-V138 PolarHBondContact O-N 2.77Å; H134-F220 HydrophobicContact CB-CD2 3.56Å; H134-F220 HydrophobicContact CB-CE2 3.68Å; H134-F220 HydrophobicContact CB-CG 4Å; H134-F220 HydrophobicContact CB-CZ 4.22Å; H134-F220 AromaticContact CD2-CE1 3.74Å; H134-F220 AromaticContact CD2-CZ 3.66Å; H134-F220 AromaticContact CE1-CD1 3.91Å; H134-F220 AromaticContact CG-CD1 3.93Å; H134-F220 AromaticContact CG-CD2 3.85Å; H134-F220 AromaticContact CG-CE1 3.95Å; H134-F220 AromaticContact CG-CE2 3.86Å; H134-F220 AromaticContact CG-CG 3.87Å; H134-F220 AromaticContact CG-CZ 3.9Å; H134-F220 AromaticContact ND1-CD1 3.77Å; H134-F220 AromaticContact ND1-CG 3.83Å; H134-F220 AromaticContact NE2-CE1 3.8Å; H134-L224 VanDerWaalsContact CE1-CD1 3.48Å; H134-L224 WeakPolarHBondContact CE1-CD1 3.35Å
135A98.4Very high98Very high42 Ų4244.6 Ų44.635%0.34723%0.229SC..Hα-helixtrans-61.9-33.817300000112.1R131 L132 A133 V138 R139R131-A135 WeakPolarHBondContact O-CB 2.74Å; R131-A135 PolarHBondContact O-N 3.26Å; L132-A135 WeakPolarHBondContact O-CB 3.24Å; L132-A135 PolarHBondContact O-N 3.14Å; A133-A135 VanDerWaalsContact C-N 3.34Å; A133-A135 PolarHBondContact O-N 3.37Å; A135-V138 PolarHBondContact O-N 3Å; A135-R139 WeakPolarHBondContact O-CB 3.41Å; A135-R139 VanDerWaalsContact O-CG 3.32Å; A135-R139 WeakPolarHBondContact O-CG 3.39Å; A135-R139 PolarHBondContact O-N 3.22Å
136C98.5Very high97.9Very high0 Ų044.2 Ų44.20%023%0.229CC..Hα-helixtrans-63.7-43.2171.3-62.50000111.3I90 L97 V101 L132 A133 H134 V138 R139 A140I90-C136 HydrophobicContact CD1-CB 4.21Å; L97-C136 HydrophobicContact CD1-CB 3.86Å; L97-C136 HydrophobicContact CD2-CB 4.33Å; L97-C136 WeakPolarHBondContact CD2-O 3.5Å; L97-C136 HydrophobicContact CG-CB 3.96Å; V101-C136 HydrophobicContact CG2-CB 3.62Å; L132-C136 PolarHBondContact O-N 3.42Å; L132-C136 PolarHBondContact O-SG 3.32Å; A133-C136 VanDerWaalsContact O-CB 3.29Å; A133-C136 WeakPolarHBondContact O-CB 3.25Å; A133-C136 PolarHBondContact O-N 2.86Å; A133-C136 VanDerWaalsContact O-N 3.13Å; H134-C136 PolarHBondContact O-N 3.2Å; C136-V138 VanDerWaalsContact C-N 3.33Å; C136-V138 PolarHBondContact O-N 2.87Å; C136-R139 PolarHBondContact O-N 3.49Å; C136-A140 WeakPolarHBondContact O-CB 3.43Å; C136-A140 PolarHBondContact O-N 3.22Å
137I98.5Very high98Very high1 Ų145 Ų451%0.00523%0.233CC..Hα-helixtrans-60.4-43.4176.2-62.1175.1000111.4F86 I90 A133 H134 A140 F142 I183 V217 F220F86-I137 HydrophobicContact CB-CD1 3.75Å; F86-I137 HydrophobicContact CB-CG1 3.91Å; F86-I137 HydrophobicContact CD1-CD1 4.19Å; F86-I137 HydrophobicContact CD1-CG1 4.29Å; F86-I137 HydrophobicContact CD1-CG2 3.72Å; F86-I137 HydrophobicContact CD2-CD1 4.19Å; F86-I137 HydrophobicContact CE1-CG2 4.04Å; F86-I137 HydrophobicContact CG-CD1 3.77Å; F86-I137 HydrophobicContact CG-CG1 4.17Å; F86-I137 HydrophobicContact CG-CG2 4.37Å; I90-I137 HydrophobicContact CD1-CG1 4.26Å; A133-I137 PolarHBondContact O-N 2.87Å; H134-I137 WeakPolarHBondContact O-CB 3.1Å; H134-I137 PolarHBondContact O-N 2.78Å; H134-I137 VanDerWaalsContact O-N 3.08Å; I137-A140 WeakPolarHBondContact O-CB 3.27Å; I137-A140 PolarHBondContact O-N 2.89Å; I137-F142 HydrophobicContact CG2-CD2 4.06Å; I137-F142 HydrophobicContact CG2-CE2 4.41Å; I137-I183 HydrophobicContact CD1-CD1 3.51Å; I137-V217 HydrophobicContact CG2-CG1 4.28Å; I137-F220 HydrophobicContact CB-CE2 4.11Å; I137-F220 HydrophobicContact CB-CZ 4.46Å; I137-F220 HydrophobicContact CD1-CE2 4.38Å; I137-F220 HydrophobicContact CD1-CZ 3.96Å; I137-F220 HydrophobicContact CG2-CE2 4.13Å; I137-F220 HydrophobicContact CG2-CZ 4.31Å
138V98.6Very high98Very high44 Ų4447.4 Ų47.427%0.26724%0.243SC..Hα-helixtrans-62.9-49.2176.4176.60000110.8H134 A135 C136 A140 G141 V217 F220H134-V138 WeakPolarHBondContact O-CG2 3.39Å; H134-V138 PolarHBondContact O-N 2.77Å; A135-V138 PolarHBondContact O-N 3Å; C136-V138 VanDerWaalsContact C-N 3.33Å; C136-V138 PolarHBondContact O-N 2.87Å; V138-A140 PolarHBondContact O-N 2.95Å; V138-G141 PolarHBondContact O-N 3.1Å; V138-G141 VanDerWaalsContact O-N 3.08Å; V138-V217 HydrophobicContact CG2-CG1 4.16Å; V138-F220 HydrophobicContact CG2-CD2 4.24Å; V138-F220 HydrophobicContact CG2-CE2 4.46Å
139R98.2Very high97.9Very high137 Ų13748.4 Ų48.452%0.51725%0.249SC..Hα-helixtrans-63.4-26.2178.2-76169.560-157.6-5.1113K94 L97 E100 A135 C136 G141K94-R139 PolarHBondContact NZ-O 2.98Å; L97-R139 HydrophobicContact CD2-CB 3.93Å; E100-R139 VanDerWaalsContact CD-NH1 3.33Å; E100-R139 IonicContact OE1-NH1 3.11Å; E100-R139 PolarHBondContact OE1-NH1 3.2Å; E100-R139 VanDerWaalsContact OE1-NH1 3.09Å; E100-R139 IonicContact OE2-CZ 3.12Å; E100-R139 IonicContact OE2-NH1 3.34Å; E100-R139 PolarHBondContact OE2-NH1 3.18Å; E100-R139 IonicContact OE2-NH2 2.65Å; E100-R139 PolarHBondContact OE2-NH2 2.84Å; A135-R139 WeakPolarHBondContact O-CB 3.41Å; A135-R139 VanDerWaalsContact O-CG 3.32Å; A135-R139 WeakPolarHBondContact O-CG 3.39Å; A135-R139 PolarHBondContact O-N 3.22Å; C136-R139 PolarHBondContact O-N 3.49Å; R139-G141 VanDerWaalsContact C-N 3.27Å; R139-G141 PolarHBondContact O-N 3.28Å
140A98.1Very high97.9Very high4 Ų448.4 Ų48.43%0.03325%0.25CC..Hα-helixtrans-65-34.1175.600000111.5I90 I93 K94 L97 C136 I137 V138 F142I90-A140 HydrophobicContact CD1-CB 4.4Å; I90-A140 HydrophobicContact CG1-CB 3.8Å; I93-A140 HydrophobicContact CD1-CB 4.07Å; K94-A140 VanDerWaalsContact CE-O 3.24Å; K94-A140 WeakPolarHBondContact CE-O 3.37Å; K94-A140 PolarHBondContact NZ-O 3.35Å; L97-A140 HydrophobicContact CD2-CB 4Å; C136-A140 WeakPolarHBondContact O-CB 3.43Å; C136-A140 PolarHBondContact O-N 3.22Å; I137-A140 WeakPolarHBondContact O-CB 3.27Å; I137-A140 PolarHBondContact O-N 2.89Å; V138-A140 PolarHBondContact O-N 2.95Å; A140-F142 HydrophobicContact CB-CD2 3.83Å; A140-F142 HydrophobicContact CB-CE2 3.48Å; A140-F142 VanDerWaalsContact CB-CE2 3.48Å; A140-F142 HydrophobicContact CB-CZ 4.08Å
141G97.6Very high97.9Very high29 Ų2947 Ų4730%0.29925%0.245SC..THydrogen-bonded Turntrans76.539.4174.200000113.3V138 R139 S143V138-G141 PolarHBondContact O-N 3.1Å; V138-G141 VanDerWaalsContact O-N 3.08Å; R139-G141 VanDerWaalsContact C-N 3.27Å; R139-G141 PolarHBondContact O-N 3.28Å; G141-S143 PolarHBondContact O-N 2.76Å
142F98.4Very high97.8Very high5 Ų544.5 Ų44.52%0.02224%0.243CC..  trans-62.2134.8176.2-66.8-71.3000111.4F86 I90 I93 I137 A140 D146 L150 V216 V217F86-F142 AromaticContact CD1-CD2 3.87Å; F86-F142 HydrophobicContact CD1-CD2 3.87Å; F86-F142 AromaticContact CD1-CE2 3.79Å; F86-F142 HydrophobicContact CD1-CE2 3.79Å; F86-F142 HydrophobicContact CD1-CZ 4.44Å; F86-F142 HydrophobicContact CE1-CD2 4.24Å; I90-F142 HydrophobicContact CD1-CE2 4.47Å; I90-F142 HydrophobicContact CG1-CE2 3.72Å; I90-F142 HydrophobicContact CG1-CZ 3.77Å; I93-F142 HydrophobicContact CD1-CD1 3.9Å; I93-F142 HydrophobicContact CD1-CE1 3.44Å; I93-F142 VanDerWaalsContact CD1-CE1 3.44Å; I93-F142 HydrophobicContact CD1-CE2 4.47Å; I93-F142 HydrophobicContact CD1-CZ 3.77Å; I93-F142 HydrophobicContact CG1-CE1 4.32Å; I93-F142 HydrophobicContact CG1-CZ 4.47Å; I137-F142 HydrophobicContact CG2-CD2 4.06Å; I137-F142 HydrophobicContact CG2-CE2 4.41Å; A140-F142 HydrophobicContact CB-CD2 3.83Å; A140-F142 HydrophobicContact CB-CE2 3.48Å; A140-F142 VanDerWaalsContact CB-CE2 3.48Å; A140-F142 HydrophobicContact CB-CZ 4.08Å; F142-D146 HydrophobicContact CB-CB 4.22Å; F142-D146 HydrophobicContact CD1-CB 3.89Å; F142-L150 HydrophobicContact CD1-CD1 3.9Å; F142-L150 HydrophobicContact CE1-CD1 3.93Å; F142-L150 HydrophobicContact CE1-CD2 4.49Å; F142-L150 HydrophobicContact CG-CD1 4.35Å; F142-L150 HydrophobicContact CZ-CD1 4.4Å; F142-V216 CarbonylContact O-C 3.57Å; F142-V216 WeakPolarHBondContact O-CA 3.42Å; F142-V217 HydrophobicContact CB-CG2 4.15Å; F142-V217 WeakPolarHBondContact O-CG2 3.47Å; F142-V217 PolarHBondContact O-N 2.94Å
143S97.9Very high97.7Very high31 Ų3145.5 Ų45.522%0.21725%0.252CS..BIsolated β-bridgetrans-88.3171.2172.771.20000112.4G141 A145 D146 L147 G215G141-S143 PolarHBondContact O-N 2.76Å; S143-A145 PolarHBondContact O-N 3.44Å; S143-A145 PolarHBondContact OG-N 3Å; S143-D146 VanDerWaalsContact CB-OD2 3.31Å; S143-D146 WeakPolarHBondContact CB-OD2 3.39Å; S143-D146 PolarHBondContact N-OD2 2.85Å; S143-D146 PolarHBondContact O-N 2.55Å; S143-D146 PolarHBondContact OG-N 2.84Å; S143-D146 VanDerWaalsContact OG-N 3.13Å; S143-D146 PolarHBondContact OG-OD2 2.98Å; S143-L147 PolarHBondContact O-N 3.2Å; S143-G215 CarbonylContact C-O 3.52Å; S143-G215 WeakPolarHBondContact CA-O 3.43Å
144R96.6Very high97.7Very high143 Ų14345.3 Ų45.354%0.5425%0.251SS..Hα-helixtrans-56.3-35168-68.9179.6-173.5-86.12.2112.7F211 G215R144-F211 HydrophobicContact CB-CE1 4.28Å; R144-F211 HydrophobicContact CB-CZ 4.27Å; R144-F211 HydrophobicContact CG-CD1 3.72Å; R144-F211 HydrophobicContact CG-CD2 3.9Å; R144-F211 HydrophobicContact CG-CE1 3.6Å; R144-F211 HydrophobicContact CG-CE2 3.77Å; R144-F211 HydrophobicContact CG-CG 3.85Å; R144-F211 HydrophobicContact CG-CZ 3.59Å; R144-F211 VanDerWaalsContact CZ-CD2 3.41Å; R144-F211 VanDerWaalsContact NH1-CD2 3.35Å; R144-G215 PolarHBondContact N-O 2.99Å
145A96.7Very high97.6Very high60 Ų6049.2 Ų49.250%0.49627%0.265SS..Hα-helixtrans-70.2-40.4177.800000110.8S143 L147 K148 T149S143-A145 PolarHBondContact O-N 3.44Å; S143-A145 PolarHBondContact OG-N 3Å; A145-L147 VanDerWaalsContact C-N 3.29Å; A145-L147 PolarHBondContact O-N 2.97Å; A145-K148 PolarHBondContact O-N 2.76Å; A145-T149 PolarHBondContact O-N 3.35Å; A145-T149 VanDerWaalsContact O-N 3.08Å; A145-T149 PolarHBondContact O-OG1 3.45Å
146D97.8Very high97.6Very high61 Ų6147.2 Ų47.233%0.32625%0.249SC..Hα-helixtrans-62.3-38.4176.1-58.8-49.2000111.5F142 S143 K148 T149 L150F142-D146 HydrophobicContact CB-CB 4.22Å; F142-D146 HydrophobicContact CD1-CB 3.89Å; S143-D146 VanDerWaalsContact CB-OD2 3.31Å; S143-D146 WeakPolarHBondContact CB-OD2 3.39Å; S143-D146 PolarHBondContact N-OD2 2.85Å; S143-D146 PolarHBondContact O-N 2.55Å; S143-D146 PolarHBondContact OG-N 2.84Å; S143-D146 VanDerWaalsContact OG-N 3.13Å; S143-D146 PolarHBondContact OG-OD2 2.98Å; D146-K148 VanDerWaalsContact C-N 3.28Å; D146-K148 PolarHBondContact O-N 3.35Å; D146-T149 CarbonylContact O-C 3.09Å; D146-T149 WeakPolarHBondContact O-CB 3.28Å; D146-T149 PolarHBondContact O-N 3.49Å; D146-T149 VanDerWaalsContact O-N 3.14Å; D146-L150 WeakPolarHBondContact O-CB 3.46Å; D146-L150 WeakPolarHBondContact O-CG 3.44Å; D146-L150 PolarHBondContact O-N 3.36Å
147L97.8Very high97.4Very high16 Ų1650.2 Ų50.28%0.08426%0.263CS..Hα-helixtrans-56.2-42.8175.5-178.760.9000112.3F86 S143 A145 L150 A151 N185 I186 E189 F209 F211F86-L147 HydrophobicContact CZ-CD1 4.04Å; S143-L147 PolarHBondContact O-N 3.2Å; A145-L147 VanDerWaalsContact C-N 3.29Å; A145-L147 PolarHBondContact O-N 2.97Å; L147-L150 PolarHBondContact O-N 3.46Å; L147-A151 PolarHBondContact O-N 3.09Å; L147-N185 HydrophobicContact CD2-CB 4.13Å; L147-I186 HydrophobicContact CD1-CB 4.12Å; L147-I186 HydrophobicContact CD1-CD1 3.65Å; L147-I186 HydrophobicContact CD1-CG1 4.5Å; L147-E189 HydrophobicContact CG-CB 4.32Å; L147-E189 HydrophobicContact CG-CG 4.33Å; L147-F209 HydrophobicContact CD1-CZ 4.12Å; L147-F209 HydrophobicContact CD2-CZ 4.17Å; L147-F211 HydrophobicContact CD2-CZ 4.06Å
148K96.7Very high97.3Very high129 Ų12951.4 Ų51.456%0.56127%0.269SS*.Hα-helixtrans-65.7-44.4176.7-59.5-169.3173-177.20111.5A145 D146 A151 S152 E189A145-K148 PolarHBondContact O-N 2.76Å; D146-K148 VanDerWaalsContact C-N 3.28Å; D146-K148 PolarHBondContact O-N 3.35Å; K148-A151 PolarHBondContact O-N 3.42Å; K148-S152 PolarHBondContact O-N 3.3Å; K148-E189 WeakPolarHBondContact CG-OE1 3.34Å
149T97.3Very high97.2Very high81 Ų8149.5 Ų49.550%0.49726%0.257SS..Hα-helixtrans-59.5-49176.3-58.40000110.6A145 D146 A151 S152 V153A145-T149 PolarHBondContact O-N 3.35Å; A145-T149 VanDerWaalsContact O-N 3.08Å; A145-T149 PolarHBondContact O-OG1 3.45Å; D146-T149 CarbonylContact O-C 3.09Å; D146-T149 WeakPolarHBondContact O-CB 3.28Å; D146-T149 PolarHBondContact O-N 3.49Å; D146-T149 VanDerWaalsContact O-N 3.14Å; T149-A151 VanDerWaalsContact C-N 3.34Å; T149-A151 PolarHBondContact O-N 3.26Å; T149-S152 PolarHBondContact O-N 2.82Å; T149-S152 VanDerWaalsContact O-N 3.09Å; T149-S152 PolarHBondContact O-OG 3.39Å; T149-V153 WeakPolarHBondContact O-CG2 3.44Å; T149-V153 PolarHBondContact O-N 3.1Å; T149-V153 VanDerWaalsContact O-N 3.09Å
150L98Very high97.1Very high13 Ų1346.4 Ų46.47%0.06825%0.25CS..Hα-helixtrans-56.3-46176.9-73.3174.6000111.5V85 F86 F142 D146 L147 S152 V153 A154 I186V85-L150 HydrophobicContact CG1-CB 3.75Å; V85-L150 HydrophobicContact CG1-CD2 4.3Å; V85-L150 HydrophobicContact CG1-CG 4.45Å; F86-L150 HydrophobicContact CD1-CD1 4.02Å; F86-L150 HydrophobicContact CE1-CD1 3.9Å; F142-L150 HydrophobicContact CD1-CD1 3.9Å; F142-L150 HydrophobicContact CE1-CD1 3.93Å; F142-L150 HydrophobicContact CE1-CD2 4.49Å; F142-L150 HydrophobicContact CG-CD1 4.35Å; F142-L150 HydrophobicContact CZ-CD1 4.4Å; D146-L150 WeakPolarHBondContact O-CB 3.46Å; D146-L150 WeakPolarHBondContact O-CG 3.44Å; D146-L150 PolarHBondContact O-N 3.36Å; L147-L150 PolarHBondContact O-N 3.46Å; L150-S152 VanDerWaalsContact C-N 3.31Å; L150-S152 PolarHBondContact O-N 2.9Å; L150-V153 PolarHBondContact O-N 2.82Å; L150-A154 WeakPolarHBondContact O-CA 3.5Å; L150-A154 VanDerWaalsContact O-CB 3.27Å; L150-A154 WeakPolarHBondContact O-CB 3.47Å; L150-A154 PolarHBondContact O-N 2.8Å; L150-I186 HydrophobicContact CB-CD1 4.28Å
151A97.4Very high97Very high0 Ų046.5 Ų46.50%025%0.252CS..Hα-helixtrans-62.4-37176.600000112.9L147 K148 T149 I186 E189 L190L147-A151 PolarHBondContact O-N 3.09Å; K148-A151 PolarHBondContact O-N 3.42Å; T149-A151 VanDerWaalsContact C-N 3.34Å; T149-A151 PolarHBondContact O-N 3.26Å; A151-I186 HydrophobicContact CB-CD1 3.78Å; A151-E189 HydrophobicContact CB-CB 4Å; A151-E189 HydrophobicContact CB-CG 3.52Å; A151-L190 HydrophobicContact CB-CD2 4.44Å
152S95.9Very high96.9Very high55 Ų5545.2 Ų45.239%0.38524%0.238SC..Hα-helixtrans-69.9-34.7-179.975.30000113.4K148 T149 L150 H193K148-S152 PolarHBondContact O-N 3.3Å; T149-S152 PolarHBondContact O-N 2.82Å; T149-S152 VanDerWaalsContact O-N 3.09Å; T149-S152 PolarHBondContact O-OG 3.39Å; L150-S152 VanDerWaalsContact C-N 3.31Å; L150-S152 PolarHBondContact O-N 2.9Å; S152-H193 WeakPolarHBondContact CB-NE2 3.29Å
153V96.4Very high96.6Very high87 Ų8747.2 Ų47.253%0.52725%0.251SS..Hα-helixtrans-96.2-4.8179.7-54.60000113T149 L150 R155T149-V153 WeakPolarHBondContact O-CG2 3.44Å; T149-V153 PolarHBondContact O-N 3.1Å; T149-V153 VanDerWaalsContact O-N 3.09Å; L150-V153 PolarHBondContact O-N 2.82Å; V153-R155 PolarHBondContact O-N 2.58Å
154A97.7Very high96.4Very high3 Ų351.5 Ų51.53%0.02527%0.267CS..  trans-59.7123-179.800000110.9V85 L150 I156 L190 R194V85-A154 HydrophobicContact CG1-CB 4.32Å; V85-A154 HydrophobicContact CG2-CB 3.68Å; L150-A154 WeakPolarHBondContact O-CA 3.5Å; L150-A154 VanDerWaalsContact O-CB 3.27Å; L150-A154 WeakPolarHBondContact O-CB 3.47Å; L150-A154 PolarHBondContact O-N 2.8Å; A154-I156 HydrophobicContact CB-CG1 4.28Å; A154-I156 PolarHBondContact O-N 2.91Å; A154-L190 HydrophobicContact CB-CD2 3.88Å; A154-R194 PolarHBondContact O-NH2 3.4Å
155R97.3Very high96.2Very high92 Ų9244.7 Ų44.735%0.34724%0.242SC..  trans-81.458.9173.1-54.8-179.165.6-171.52.8110.5E77 L79 W80 V153E77-R155 IonicContact OE1-CZ 2.83Å; E77-R155 IonicContact OE1-NH1 2.72Å; E77-R155 PolarHBondContact OE1-NH1 3.02Å; E77-R155 IonicContact OE1-NH2 3.22Å; E77-R155 PolarHBondContact OE1-NH2 3.01Å; E77-R155 IonicContact OE2-CZ 3.32Å; E77-R155 IonicContact OE2-NH1 3.58Å; E77-R155 IonicContact OE2-NH2 2.73Å; E77-R155 PolarHBondContact OE2-NH2 2.88Å; L79-R155 WeakPolarHBondContact CB-O 3.19Å; L79-R155 HydrophobicContact CD2-CB 4.29Å; L79-R155 VanDerWaalsContact CD2-O 3.26Å; L79-R155 WeakPolarHBondContact CD2-O 3.39Å; W80-R155 HydrophobicContact CD2-CB 3.66Å; W80-R155 HydrophobicContact CD2-CG 4.05Å; W80-R155 HydrophobicContact CE3-CB 4.04Å; W80-R155 HydrophobicContact CE3-CG 4.22Å; W80-R155 HydrophobicContact CG-CB 3.94Å; W80-R155 HydrophobicContact CH2-CB 4.48Å; W80-R155 HydrophobicContact CH2-CG 3.81Å; W80-R155 HydrophobicContact CZ2-CB 4.15Å; W80-R155 HydrophobicContact CZ2-CG 3.61Å; W80-R155 HydrophobicContact CZ3-CB 4.43Å; W80-R155 HydrophobicContact CZ3-CG 4.12Å; W80-R155 PolarHBondContact N-O 3.24Å; V153-R155 PolarHBondContact O-N 2.58Å
156I97.5Very high96.1Very high1 Ų141.9 Ų41.91%0.00522%0.218CC..  trans-119.6113.3178.2-63.9-173.7000108F64 W80 V85 A154 L190 R194F64-I156 HydrophobicContact CE1-CG2 4.2Å; F64-I156 HydrophobicContact CZ-CG2 4.31Å; W80-I156 HydrophobicContact CB-CG1 3.91Å; W80-I156 WeakPolarHBondContact O-CG1 3.46Å; V85-I156 HydrophobicContact CG2-CD1 3.5Å; V85-I156 HydrophobicContact CG2-CG1 4.16Å; A154-I156 HydrophobicContact CB-CG1 4.28Å; A154-I156 PolarHBondContact O-N 2.91Å; I156-L190 HydrophobicContact CB-CD1 4.46Å; I156-L190 HydrophobicContact CB-CD2 4.44Å; I156-L190 HydrophobicContact CD1-CD1 3.74Å; I156-L190 HydrophobicContact CG2-CD1 4.27Å; I156-R194 PolarHBondContact O-NE 3.14Å; I156-R194 PolarHBondContact O-NH1 3.18Å; I156-R194 PolarHBondContact O-NH2 2.68Å
157E95.9Very high95.8Very high63 Ų6343.2 Ų43.229%0.29423%0.226SC..  trans-105.1140.2175.2-65.6177.1-152.500110.2S69 K70 L79S69-E157 CarbonylContact C-O 3.56Å; S69-E157 WeakPolarHBondContact CA-O 3.2Å; K70-E157 HydrophobicContact CD-CB 3.94Å; K70-E157 HydrophobicContact CG-CB 4.3Å; K70-E157 PolarHBondContact N-O 2.98Å; K70-E157 IonicContact NZ-OE2 3.96Å; K70-E157 PolarHBondContact NZ-OE2 3.49Å; L79-E157 HydrophobicContact CD1-CB 3.91Å; L79-E157 HydrophobicContact CD1-CG 4.1Å; L79-E157 HydrophobicContact CD2-CG 4.44Å
158L96.2Very high95.5Very high26 Ų2644.1 Ų44.114%0.13623%0.228CC..BIsolated β-bridgetrans-74.9144.5170.4-54.8179.2000109.3F64 I68 K70 F162 F191 V195F64-L158 HydrophobicContact CE2-CD2 4.3Å; F64-L158 HydrophobicContact CZ-CD2 4.44Å; I68-L158 HydrophobicContact CG2-CD2 3.69Å; K70-L158 WeakPolarHBondContact CE-O 3.31Å; L158-F162 HydrophobicContact CD1-CD1 4.35Å; L158-F191 HydrophobicContact CD1-CE1 4.38Å; L158-V195 HydrophobicContact CD1-CG2 4.14Å
159R97Very high95.2Very high3 Ų338 Ų381%0.01120%0.201CC..PPolyproline II helixtrans-58.7149.1173.3-73.9-178.4179.4-93-10.4111.8F66 T67 I68 K70 G161 F162 F278 N280 D300 P301 S302 D303 F304F66-R159 PolarHBondContact O-NH2 3Å; T67-R159 WeakPolarHBondContact O-CD 3.02Å; T67-R159 PolarHBondContact O-NE 3.46Å; I68-R159 WeakPolarHBondContact O-CG 3.44Å; I68-R159 PolarHBondContact O-N 3.36Å; K70-R159 HydrophobicContact CG-CB 4.49Å; K70-R159 HydrophobicContact CG-CG 4Å; R159-G161 PolarHBondContact O-N 3.21Å; R159-F162 WeakPolarHBondContact O-CB 3.47Å; R159-F162 PolarHBondContact O-N 2.89Å; R159-F162 VanDerWaalsContact O-N 3.16Å; R159-F278 VanDerWaalsContact NH1-CD1 3.29Å; R159-N280 PolarHBondContact NH2-OD1 3.38Å; R159-D300 PolarHBondContact NH1-O 3.31Å; R159-P301 PolarHBondContact NH1-O 2.91Å; R159-P301 PolarHBondContact NH2-O 3.18Å; R159-S302 CarbonylContact C-O 3.55Å; R159-S302 WeakPolarHBondContact CA-O 3.39Å; R159-S302 WeakPolarHBondContact CB-O 3.36Å; R159-D303 WeakPolarHBondContact CD-O 3.5Å; R159-D303 PolarHBondContact NH1-O 3.37Å; R159-D303 VanDerWaalsContact NH1-O 3.13Å; R159-F304 HydrophobicContact CB-CB 3.67Å
160N95.8Very high94.9Very high72 Ų7236.3 Ų36.339%0.38519%0.188SC..BIsolated β-bridgetrans-63.3126.3179.9-58-26.5000109.3K70 S302 F304 N305K70-N160 WeakPolarHBondContact CE-OD1 3.08Å; K70-N160 PolarHBondContact NZ-OD1 3.35Å; N160-S302 WeakPolarHBondContact CB-O 3.47Å; N160-S302 PolarHBondContact N-O 3.4Å; N160-F304 CarbonylContact O-C 3.54Å; N160-F304 WeakPolarHBondContact O-CA 3.44Å; N160-F304 VanDerWaalsContact O-CB 3.31Å; N160-F304 WeakPolarHBondContact O-CB 3.1Å; N160-F304 PolarHBondContact O-N 2.66Å; N160-N305 PolarHBondContact O-N 2.78Å; N160-N305 PolarHBondContact O-ND2 3.28Å
161G94.5Very high94.4Very high7 Ų744.4 Ų44.47%0.07222%0.222CC..THydrogen-bonded Turntrans96-14.2-177.400000115R159 E164 F165 N305R159-G161 PolarHBondContact O-N 3.21Å; G161-E164 VanDerWaalsContact C-OE2 3.24Å; G161-E164 WeakPolarHBondContact CA-OE2 3.22Å; G161-E164 PolarHBondContact O-N 2.93Å; G161-F165 WeakPolarHBondContact O-CB 3.47Å; G161-F165 PolarHBondContact O-N 3.05Å; G161-N305 VanDerWaalsContact CA-OD1 3.23Å; G161-N305 WeakPolarHBondContact CA-OD1 3.36Å
162F95.4Very high93.8Very high1 Ų145.2 Ų45.20%0.00423%0.227CC..Hα-helixtrans-69.4-36-176.2-174.1-106.6000113.1I68 L158 R159 F165 L166 F191 F304I68-F162 HydrophobicContact CB-CE1 4.29Å; I68-F162 HydrophobicContact CB-CE2 4.48Å; I68-F162 HydrophobicContact CB-CZ 4.28Å; I68-F162 HydrophobicContact CD1-CE1 3.96Å; I68-F162 HydrophobicContact CD1-CE2 3.78Å; I68-F162 HydrophobicContact CD1-CZ 3.32Å; I68-F162 HydrophobicContact CG1-CD2 4.11Å; I68-F162 HydrophobicContact CG1-CE1 4.06Å; I68-F162 HydrophobicContact CG1-CE2 3.58Å; I68-F162 HydrophobicContact CG1-CZ 3.55Å; I68-F162 HydrophobicContact CG2-CD1 3.45Å; I68-F162 VanDerWaalsContact CG2-CD1 3.45Å; I68-F162 HydrophobicContact CG2-CD2 4.32Å; I68-F162 HydrophobicContact CG2-CE1 3.29Å; I68-F162 HydrophobicContact CG2-CE2 4.25Å; I68-F162 HydrophobicContact CG2-CG 3.97Å; I68-F162 HydrophobicContact CG2-CZ 3.75Å; L158-F162 HydrophobicContact CD1-CD1 4.35Å; R159-F162 WeakPolarHBondContact O-CB 3.47Å; R159-F162 PolarHBondContact O-N 2.89Å; R159-F162 VanDerWaalsContact O-N 3.16Å; F162-F165 HydrophobicContact CD2-CD1 4.15Å; F162-F165 AromaticContact CE2-CD1 3.94Å; F162-F165 HydrophobicContact CE2-CD1 3.94Å; F162-F165 HydrophobicContact CE2-CE1 4.24Å; F162-F165 WeakPolarHBondContact O-CB 3.38Å; F162-F165 PolarHBondContact O-N 2.81Å; F162-L166 HydrophobicContact CD1-CD1 3.86Å; F162-L166 HydrophobicContact CD1-CG 4.09Å; F162-L166 HydrophobicContact CE1-CD1 3.35Å; F162-L166 HydrophobicContact CE1-CD2 4.05Å; F162-L166 HydrophobicContact CE1-CG 3.62Å; F162-L166 HydrophobicContact CE2-CD2 4.42Å; F162-L166 HydrophobicContact CE2-CG 4.39Å; F162-L166 HydrophobicContact CZ-CD1 3.96Å; F162-L166 HydrophobicContact CZ-CD2 3.75Å; F162-L166 HydrophobicContact CZ-CG 3.76Å; F162-L166 WeakPolarHBondContact O-CG 3.05Å; F162-L166 PolarHBondContact O-N 3.13Å; F162-F191 HydrophobicContact CE1-CE1 4.01Å; F162-F191 HydrophobicContact CE1-CZ 4.02Å; F162-F304 HydrophobicContact CB-CB 4.26Å; F162-F304 HydrophobicContact CB-CD1 4.1Å; F162-F304 HydrophobicContact CB-CG 4.07Å; F162-F304 AromaticContact CD2-CD1 3.76Å; F162-F304 HydrophobicContact CD2-CD1 3.76Å; F162-F304 AromaticContact CD2-CD2 3.99Å; F162-F304 HydrophobicContact CD2-CD2 3.99Å; F162-F304 AromaticContact CD2-CE1 3.56Å; F162-F304 HydrophobicContact CD2-CE1 3.56Å; F162-F304 AromaticContact CD2-CE2 3.76Å; F162-F304 HydrophobicContact CD2-CE2 3.76Å; F162-F304 HydrophobicContact CD2-CG 4Å; F162-F304 AromaticContact CD2-CZ 3.56Å; F162-F304 HydrophobicContact CD2-CZ 3.56Å; F162-F304 HydrophobicContact CE2-CE1 4.19Å; F162-F304 HydrophobicContact CE2-CE2 4.2Å; F162-F304 AromaticContact CE2-CZ 3.88Å; F162-F304 HydrophobicContact CE2-CZ 3.88Å; F162-F304 HydrophobicContact CG-CD1 4.44Å
163T93.3Very high93.2Very high47 Ų4743.8 Ų43.829%0.28822%0.221SC..Hα-helixtrans-67.4-41.3177.8-57.10000111.1F165 L166 N167T163-F165 VanDerWaalsContact C-N 3.33Å; T163-L166 PolarHBondContact O-N 3.34Å; T163-N167 VanDerWaalsContact O-CG 3.32Å; T163-N167 PolarHBondContact O-N 3.02Å; T163-N167 PolarHBondContact O-ND2 3.28Å
164E92.9Very high92.8Very high121 Ų12139.7 Ų39.757%0.56520%0.196SC*.Hα-helixtrans-61.6-44.1174.9-65.978.9-17800110.9G161 N167 W168G161-E164 VanDerWaalsContact C-OE2 3.24Å; G161-E164 WeakPolarHBondContact CA-OE2 3.22Å; G161-E164 PolarHBondContact O-N 2.93Å; E164-N167 PolarHBondContact O-N 3Å; E164-W168 WeakPolarHBondContact O-CB 3.2Å; E164-W168 PolarHBondContact O-N 3.48Å
165F93.8Very high92.4Very high0 Ų040.9 Ų40.90%020%0.204CC..Hα-helixtrans-57.4-47.5172.1171.3-91.4000112.4V60 G161 F162 T163 N167 W168 A169 V176 F254 F304 L311 F312V60-F165 HydrophobicContact CB-CZ 4.49Å; V60-F165 HydrophobicContact CG1-CE1 4.32Å; V60-F165 HydrophobicContact CG1-CZ 4.04Å; V60-F165 HydrophobicContact CG2-CZ 3.86Å; G161-F165 WeakPolarHBondContact O-CB 3.47Å; G161-F165 PolarHBondContact O-N 3.05Å; F162-F165 HydrophobicContact CD2-CD1 4.15Å; F162-F165 AromaticContact CE2-CD1 3.94Å; F162-F165 HydrophobicContact CE2-CD1 3.94Å; F162-F165 HydrophobicContact CE2-CE1 4.24Å; F162-F165 WeakPolarHBondContact O-CB 3.38Å; F162-F165 PolarHBondContact O-N 2.81Å; T163-F165 VanDerWaalsContact C-N 3.33Å; F165-N167 PolarHBondContact O-N 3.07Å; F165-W168 WeakPolarHBondContact O-CB 3.24Å; F165-W168 PolarHBondContact O-N 3.38Å; F165-A169 WeakPolarHBondContact O-CB 3.48Å; F165-A169 PolarHBondContact O-N 3.06Å; F165-V176 HydrophobicContact CE1-CG2 4.36Å; F165-F254 HydrophobicContact CZ-CE2 4.13Å; F165-F304 HydrophobicContact CB-CD1 4.25Å; F165-F304 HydrophobicContact CB-CE1 3.97Å; F165-F304 AromaticContact CD1-CE1 3.92Å; F165-F304 HydrophobicContact CD1-CE1 3.92Å; F165-F304 HydrophobicContact CD1-CZ 4.44Å; F165-F304 AromaticContact CD2-CE1 3.84Å; F165-F304 HydrophobicContact CD2-CE1 3.84Å; F165-F304 HydrophobicContact CE1-CE1 4.35Å; F165-F304 HydrophobicContact CE2-CE1 4.2Å; F165-F304 HydrophobicContact CG-CD1 4.41Å; F165-F304 AromaticContact CG-CE1 3.65Å; F165-F304 HydrophobicContact CG-CE1 3.65Å; F165-F304 HydrophobicContact CZ-CE1 4.47Å; F165-L311 HydrophobicContact CD2-CD2 4.29Å; F165-L311 HydrophobicContact CE2-CD2 3.34Å; F165-L311 HydrophobicContact CZ-CD2 3.98Å; F165-F312 HydrophobicContact CD2-CE1 4.47Å
166L93.5Very high92.2Very high1 Ų136.5 Ų36.51%0.00519%0.187CC..Hα-helixtrans-61.5-45.6179.3-78.6-178.8000112.3F162 T163 W168 A169 E170 V176 F191 P199 M202F162-L166 HydrophobicContact CD1-CD1 3.86Å; F162-L166 HydrophobicContact CD1-CG 4.09Å; F162-L166 HydrophobicContact CE1-CD1 3.35Å; F162-L166 HydrophobicContact CE1-CD2 4.05Å; F162-L166 HydrophobicContact CE1-CG 3.62Å; F162-L166 HydrophobicContact CE2-CD2 4.42Å; F162-L166 HydrophobicContact CE2-CG 4.39Å; F162-L166 HydrophobicContact CZ-CD1 3.96Å; F162-L166 HydrophobicContact CZ-CD2 3.75Å; F162-L166 HydrophobicContact CZ-CG 3.76Å; F162-L166 WeakPolarHBondContact O-CG 3.05Å; F162-L166 PolarHBondContact O-N 3.13Å; T163-L166 PolarHBondContact O-N 3.34Å; L166-W168 VanDerWaalsContact C-N 3.27Å; L166-W168 PolarHBondContact O-N 3.36Å; L166-A169 PolarHBondContact O-N 2.89Å; L166-A169 VanDerWaalsContact O-N 3.17Å; L166-E170 PolarHBondContact O-N 2.81Å; L166-V176 HydrophobicContact CD2-CG1 4.19Å; L166-V176 HydrophobicContact CD2-CG2 4.29Å; L166-F191 HydrophobicContact CD1-CD1 4.33Å; L166-F191 HydrophobicContact CD1-CE1 3.65Å; L166-F191 HydrophobicContact CD1-CZ 4.4Å; L166-P199 HydrophobicContact CD1-CG 4.32Å; L166-M202 HydrophobicContact CD1-CE 3.8Å; L166-M202 HydrophobicContact CD2-CE 3.33Å; L166-M202 HydrophobicContact CG-CE 4.22Å
167N91.7Very high92.1Very high90 Ų9036.9 Ų36.948%0.48119%0.189SC..Hα-helixtrans-60.3-41.4176.8-71.5-27.7000111.3T163 E164 F165 K171T163-N167 VanDerWaalsContact O-CG 3.32Å; T163-N167 PolarHBondContact O-N 3.02Å; T163-N167 PolarHBondContact O-ND2 3.28Å; E164-N167 PolarHBondContact O-N 3Å; F165-N167 PolarHBondContact O-N 3.07Å; N167-K171 WeakPolarHBondContact O-CB 3.41Å; N167-K171 PolarHBondContact O-N 3.47Å
168W90.5Very high92.1Very high35 Ų3533.9 Ų33.913%0.13318%0.175CC..Hα-helixtrans-63.7-46.4174.1171.998.6000111.3E164 F165 L166 E170 K171 N172 V174 L311 F312 L315E164-W168 WeakPolarHBondContact O-CB 3.2Å; E164-W168 PolarHBondContact O-N 3.48Å; F165-W168 WeakPolarHBondContact O-CB 3.24Å; F165-W168 PolarHBondContact O-N 3.38Å; L166-W168 VanDerWaalsContact C-N 3.27Å; L166-W168 PolarHBondContact O-N 3.36Å; W168-E170 VanDerWaalsContact C-N 3.32Å; W168-E170 PolarHBondContact O-N 3.04Å; W168-K171 PolarHBondContact O-N 3.01Å; W168-N172 PolarHBondContact NE1-ND2 2.89Å; W168-N172 PolarHBondContact O-N 3.16Å; W168-N172 VanDerWaalsContact O-N 3.12Å; W168-N172 PolarHBondContact O-ND2 2.96Å; W168-V174 HydrophobicContact CH2-CG2 3.85Å; W168-V174 HydrophobicContact CZ3-CB 4.37Å; W168-V174 HydrophobicContact CZ3-CG1 4.48Å; W168-V174 HydrophobicContact CZ3-CG2 3.98Å; W168-L311 HydrophobicContact CE3-CD2 4.44Å; W168-L311 HydrophobicContact CH2-CD2 3.89Å; W168-L311 HydrophobicContact CH2-CG 4.41Å; W168-L311 HydrophobicContact CZ3-CD2 3.54Å; W168-L311 HydrophobicContact CZ3-CG 4.48Å; W168-F312 HydrophobicContact CB-CE1 4.25Å; W168-F312 HydrophobicContact CB-CZ 4.29Å; W168-F312 AromaticContact CD1-CE1 3.9Å; W168-F312 HydrophobicContact CD2-CD1 4.04Å; W168-F312 AromaticContact CD2-CE1 3.42Å; W168-F312 HydrophobicContact CD2-CE1 3.42Å; W168-F312 VanDerWaalsContact CD2-CE1 3.42Å; W168-F312 HydrophobicContact CD2-CZ 4.3Å; W168-F312 AromaticContact CE2-CD1 3.87Å; W168-F312 AromaticContact CE2-CE1 3.75Å; W168-F312 HydrophobicContact CE3-CD1 4.42Å; W168-F312 AromaticContact CE3-CE1 3.72Å; W168-F312 HydrophobicContact CE3-CE1 3.72Å; W168-F312 HydrophobicContact CG-CD1 4.42Å; W168-F312 AromaticContact CG-CE1 3.62Å; W168-F312 HydrophobicContact CG-CE1 3.62Å; W168-F312 HydrophobicContact CG-CZ 4.07Å; W168-F312 HydrophobicContact CZ2-CD1 4.23Å; W168-F312 HydrophobicContact CZ2-CE1 4.4Å; W168-F312 HydrophobicContact CZ3-CE1 4.35Å; W168-F312 AromaticContact NE1-CD1 3.98Å; W168-F312 AromaticContact NE1-CE1 3.92Å; W168-L315 HydrophobicContact CH2-CD1 3.14Å; W168-L315 HydrophobicContact CZ2-CD1 3.15Å; W168-L315 HydrophobicContact CZ2-CG 4.47Å; W168-L315 HydrophobicContact CZ3-CD1 4.46Å
169A90.9Very high92Very high0 Ų032.6 Ų32.60%017%0.169CC..Hα-helixtrans-61.5-44-178.100000110.7F165 L166 N172 G173 V174 V176 N201F165-A169 WeakPolarHBondContact O-CB 3.48Å; F165-A169 PolarHBondContact O-N 3.06Å; L166-A169 PolarHBondContact O-N 2.89Å; L166-A169 VanDerWaalsContact O-N 3.17Å; A169-N172 CarbonylContact O-C 3.31Å; A169-N172 PolarHBondContact O-N 2.65Å; A169-G173 PolarHBondContact O-N 2.81Å; A169-V174 HydrophobicContact CB-CB 4.08Å; A169-V174 HydrophobicContact CB-CG1 4.46Å; A169-V174 PolarHBondContact O-N 2.88Å; A169-V176 HydrophobicContact CB-CG2 3.84Å; A169-N201 VanDerWaalsContact C-ND2 3.32Å
170E90.8Very high92Very high46 Ų4632.5 Ų32.522%0.21517%0.169CC..Hα-helixtrans-64-47.8178.3-168.7177.3-136.100111.5L166 W168 N172 G173 R197 L200 N201L166-E170 PolarHBondContact O-N 2.81Å; W168-E170 VanDerWaalsContact C-N 3.32Å; W168-E170 PolarHBondContact O-N 3.04Å; E170-N172 PolarHBondContact O-N 2.95Å; E170-N172 VanDerWaalsContact O-N 3.1Å; E170-G173 PolarHBondContact O-N 2.92Å; E170-G173 VanDerWaalsContact O-N 3.09Å; E170-R197 IonicContact OE1-CZ 3.32Å; E170-R197 IonicContact OE1-NH1 2.73Å; E170-R197 PolarHBondContact OE1-NH1 3.09Å; E170-R197 IonicContact OE1-NH2 3.06Å; E170-R197 PolarHBondContact OE1-NH2 3.4Å; E170-R197 IonicContact OE2-CZ 3.61Å; E170-R197 IonicContact OE2-NH1 3.8Å; E170-R197 IonicContact OE2-NH2 2.68Å; E170-R197 PolarHBondContact OE2-NH2 3.32Å; E170-L200 PolarHBondContact OE1-N 2.89Å; E170-N201 WeakPolarHBondContact CA-ND2 3.49Å; E170-N201 WeakPolarHBondContact CB-OD1 3.31Å; E170-N201 WeakPolarHBondContact CG-OD1 3.22Å; E170-N201 PolarHBondContact N-ND2 3.49Å; E170-N201 VanDerWaalsContact N-ND2 3.19Å
171K87.9Confident92Very high182 Ų18229.7 Ų29.779%0.79116%0.155SC*.Hα-helixtrans-56.7-29.4177.4-178.8177178.4-179.60112.8N167 W168N167-K171 WeakPolarHBondContact O-CB 3.41Å; N167-K171 PolarHBondContact O-N 3.47Å; W168-K171 PolarHBondContact O-N 3.01Å
172N84.3Confident92.1Very high17 Ų1729.4 Ų29.49%0.09115%0.153CC..THydrogen-bonded Turntrans-104.47.6-177.1-63.8-76.8000113.6W168 A169 E170 V174 R317W168-N172 PolarHBondContact NE1-ND2 2.89Å; W168-N172 PolarHBondContact O-N 3.16Å; W168-N172 VanDerWaalsContact O-N 3.12Å; W168-N172 PolarHBondContact O-ND2 2.96Å; A169-N172 CarbonylContact O-C 3.31Å; A169-N172 PolarHBondContact O-N 2.65Å; E170-N172 PolarHBondContact O-N 2.95Å; E170-N172 VanDerWaalsContact O-N 3.1Å; N172-V174 HydrophobicContact CB-CG2 4.19Å; N172-V174 PolarHBondContact O-N 3.22Å; N172-R317 VanDerWaalsContact CG-NH1 3.25Å; N172-R317 PolarHBondContact ND2-NH1 2.9Å; N172-R317 PolarHBondContact OD1-NH1 3.42Å; N172-R317 PolarHBondContact OD1-NH2 3.47Å
173G84.9Confident92.3Very high26 Ų2629.4 Ų29.427%0.26815%0.152SC..THydrogen-bonded Turntrans5933.5-179.900000113.2A169 E170 P175 R248A169-G173 PolarHBondContact O-N 2.81Å; E170-G173 PolarHBondContact O-N 2.92Å; E170-G173 VanDerWaalsContact O-N 3.09Å; G173-P175 WeakPolarHBondContact O-CD 3.44Å; G173-R248 PolarHBondContact O-NH1 2.81Å; G173-R248 PolarHBondContact O-NH2 3.11Å
174V87Confident92.5Very high0 Ų027.1 Ų27.10%014%0.139CC..  trans-86113.9173.4175.60000107.9C56 V60 W168 A169 N172 N201C56-V174 HydrophobicContact CB-CG2 3.69Å; V60-V174 HydrophobicContact CG2-CG1 3.93Å; W168-V174 HydrophobicContact CH2-CG2 3.85Å; W168-V174 HydrophobicContact CZ3-CB 4.37Å; W168-V174 HydrophobicContact CZ3-CG1 4.48Å; W168-V174 HydrophobicContact CZ3-CG2 3.98Å; A169-V174 HydrophobicContact CB-CB 4.08Å; A169-V174 HydrophobicContact CB-CG1 4.46Å; A169-V174 PolarHBondContact O-N 2.88Å; N172-V174 HydrophobicContact CB-CG2 4.19Å; N172-V174 PolarHBondContact O-N 3.22Å; V174-N201 PolarHBondContact O-ND2 3.13Å
175P90.3Very high92.8Very high28 Ų2822.1 Ų22.118%0.18212%0.116CC..  trans-65.6139.7177.9-2134.8000111.5D59 V60 G173 N201 R248D59-P175 WeakPolarHBondContact OD1-CB 3.44Å; D59-P175 WeakPolarHBondContact OD1-CD 3.2Å; D59-P175 WeakPolarHBondContact OD1-CG 3.32Å; V60-P175 PolarHBondContact N-O 2.85Å; G173-P175 WeakPolarHBondContact O-CD 3.44Å; P175-N201 WeakPolarHBondContact CA-O 3.47Å; P175-R248 VanDerWaalsContact CD-CZ 3.42Å
176V93Very high93Very high1 Ų122.1 Ų22.11%0.00612%0.116CC..EExtended strand (participates in β ladder)trans-122.2114.7176.4179.60000108.3V60 F165 L166 A169 I178 N201 M202 R203V60-V176 HydrophobicContact CB-CG2 4.18Å; V60-V176 HydrophobicContact CG1-CG1 4.19Å; V60-V176 HydrophobicContact CG1-CG2 4.47Å; V60-V176 CarbonylContact O-C 3.45Å; V60-V176 WeakPolarHBondContact O-CA 3.34Å; F165-V176 HydrophobicContact CE1-CG2 4.36Å; L166-V176 HydrophobicContact CD2-CG1 4.19Å; L166-V176 HydrophobicContact CD2-CG2 4.29Å; A169-V176 HydrophobicContact CB-CG2 3.84Å; V176-I178 HydrophobicContact CG1-CD1 4.01Å; V176-N201 PolarHBondContact N-O 2.87Å; V176-M202 HydrophobicContact CG1-CE 4.24Å; V176-M202 CarbonylContact O-C 3.58Å; V176-M202 WeakPolarHBondContact O-CA 3.33Å; V176-R203 PolarHBondContact O-N 3.3Å
177T94Very high93.2Very high8 Ų822.1 Ų22.15%0.04912%0.116CC..EExtended strand (participates in β ladder)trans-104.7116.8174.3-600000109.7V60 V61 S62 R203 I205 F241V60-T177 PolarHBondContact O-N 2.84Å; V61-T177 CarbonylContact C-O 3.41Å; V61-T177 WeakPolarHBondContact CA-O 3.29Å; S62-T177 PolarHBondContact N-O 2.86Å; T177-R203 CarbonylContact C-O 3.38Å; T177-R203 WeakPolarHBondContact CA-O 3.48Å; T177-R203 HydrophobicContact CG2-CB 4.46Å; T177-I205 HydrophobicContact CG2-CD1 3.62Å; T177-I205 HydrophobicContact CG2-CG1 4.13Å; T177-F241 HydrophobicContact CG2-CD2 4.36Å; T177-F241 HydrophobicContact CG2-CE2 3.71Å; T177-F241 HydrophobicContact CG2-CZ 4.37Å; T177-F241 WeakPolarHBondContact OG1-CE2 3.36Å
178I95.8Very high93.6Very high0 Ų020.9 Ų20.90%010%0.104CC..EExtended strand (participates in β ladder)trans-81.9115.1165.3-50.3-47.6000107.1S62 F64 I68 V176 I187 M202 R203 V204 I205S62-I178 CarbonylContact O-C 3.6Å; S62-I178 VanDerWaalsContact O-CA 3.27Å; S62-I178 WeakPolarHBondContact O-CA 3.47Å; F64-I178 HydrophobicContact CB-CG2 3.73Å; F64-I178 HydrophobicContact CD2-CG2 4.31Å; F64-I178 HydrophobicContact CG-CG2 4.43Å; I68-I178 HydrophobicContact CD1-CD1 3.23Å; I68-I178 HydrophobicContact CD1-CG1 4.42Å; V176-I178 HydrophobicContact CG1-CD1 4.01Å; I178-I187 HydrophobicContact CG2-CD1 4.4Å; I178-I187 HydrophobicContact CG2-CG2 4.47Å; I178-M202 HydrophobicContact CD1-CE 4.33Å; I178-M202 HydrophobicContact CG1-CE 4.34Å; I178-M202 HydrophobicContact CG1-CG 4.18Å; I178-M202 HydrophobicContact CG1-SD 3.89Å; I178-R203 PolarHBondContact N-O 3.31Å; I178-V204 HydrophobicContact CB-CG1 4.4Å; I178-V204 HydrophobicContact CB-CG2 4.3Å; I178-V204 HydrophobicContact CG1-CG2 4.24Å; I178-I205 PolarHBondContact O-N 2.65Å; I178-I205 VanDerWaalsContact O-O 3.11Å
179F95.1Very high93.9Very high0 Ų021 Ų210%011%0.106CC..EExtended strand (participates in β ladder)trans-115.989.4175.6-165.5-175.2000109.9V61 S62 I205 I225 K230 N231 A234 I235 M263V61-F179 HydrophobicContact CG1-CB 4.12Å; S62-F179 PolarHBondContact O-N 2.78Å; F179-I205 WeakPolarHBondContact CA-O 3.27Å; F179-I205 HydrophobicContact CD2-CB 4.05Å; F179-I205 HydrophobicContact CD2-CG2 3.72Å; F179-I205 HydrophobicContact CE2-CG2 3.79Å; F179-I225 HydrophobicContact CE2-CD1 3.98Å; F179-I225 HydrophobicContact CE2-CG1 4.5Å; F179-I225 HydrophobicContact CE2-CG2 4.19Å; F179-K230 HydrophobicContact CE1-CB 4.19Å; F179-K230 HydrophobicContact CZ-CB 4.19Å; F179-K230 PolarHBondContact O-NZ 2.86Å; F179-N231 WeakPolarHBondContact CZ-O 3.46Å; F179-A234 HydrophobicContact CZ-CB 4.26Å; F179-I235 HydrophobicContact CD1-CD1 4.38Å; F179-I235 HydrophobicContact CE1-CD1 3.94Å; F179-I235 HydrophobicContact CE1-CG1 4.19Å; F179-I235 HydrophobicContact CE2-CG1 4.34Å; F179-I235 HydrophobicContact CZ-CD1 4.14Å; F179-I235 HydrophobicContact CZ-CG1 3.87Å; F179-M263 HydrophobicContact CB-SD 4.07Å; F179-M263 HydrophobicContact CD1-SD 3.92Å; F179-M263 HydrophobicContact CG-SD 4.29Å
180S96.5Very high94.2Very high1 Ų121.2 Ų21.21%0.00711%0.107CC..EExtended strand (participates in β ladder)trans-112.9142.6-169.4-173.20000112G182 I205 G206S180-G182 WeakPolarHBondContact OG-CA 3.47Å; S180-G182 PolarHBondContact OG-N 2.75Å; S180-I205 PolarHBondContact N-O 3.07Å; S180-G206 WeakPolarHBondContact O-CA 3.38Å
181A96.1Very high94.5Very high12 Ų1219 Ų1910%0.09910%0.097CC..EExtended strand (participates in β ladder)trans-77.9-5.3164.100000112.1H83 N207 I225 K230H83-A181 PolarHBondContact CE1-O 3.45Å; A181-N207 PolarHBondContact O-ND2 2.99Å; A181-I225 HydrophobicContact CB-CG2 4.31Å; A181-K230 VanDerWaalsContact N-CE 3.32Å
182G97.6Very high94.9Very high2 Ų213.5 Ų13.52%0.0218%0.076CC..EExtended strand (participates in β ladder)trans-74.7-165.517300000113.5T82 S180 N207T82-G182 WeakPolarHBondContact OG1-CA 3.45Å; S180-G182 WeakPolarHBondContact OG-CA 3.47Å; S180-G182 PolarHBondContact OG-N 2.75Å; G182-N207 WeakPolarHBondContact O-CB 3.37Å; G182-N207 PolarHBondContact O-N 2.78Å; G182-N207 PolarHBondContact O-ND2 2.68Å
183I98.5Very high95.3Very high0 Ų017.6 Ų17.60%010%0.095CC..EExtended strand (participates in β ladder)trans-100.4113-174.2-61.5166.2000110.9T82 F86 I137 N185 I186 I187 N207 F209 F220T82-I183 PolarHBondContact OG1-N 3.41Å; F86-I183 HydrophobicContact CD2-CD1 3.34Å; F86-I183 HydrophobicContact CE2-CB 4.13Å; F86-I183 HydrophobicContact CE2-CD1 3.58Å; F86-I183 HydrophobicContact CE2-CG1 4.46Å; F86-I183 HydrophobicContact CE2-CG2 3.79Å; F86-I183 HydrophobicContact CG-CD1 4.17Å; F86-I183 HydrophobicContact CZ-CG2 4.25Å; I137-I183 HydrophobicContact CD1-CD1 3.51Å; I183-N185 VanDerWaalsContact C-N 3.34Å; I183-N185 HydrophobicContact CG2-CB 4.45Å; I183-N185 PolarHBondContact O-N 3Å; I183-I186 HydrophobicContact CB-CG2 3.88Å; I183-I186 HydrophobicContact CG2-CG2 4.13Å; I183-I186 WeakPolarHBondContact O-CG2 3.32Å; I183-I186 PolarHBondContact O-N 3.16Å; I183-I187 WeakPolarHBondContact O-CG1 3.4Å; I183-I187 PolarHBondContact O-N 3.05Å; I183-N207 CarbonylContact C-O 3.59Å; I183-N207 VanDerWaalsContact CA-O 3.29Å; I183-N207 WeakPolarHBondContact CA-O 3.18Å; I183-F209 HydrophobicContact CG2-CD1 3.85Å; I183-F209 HydrophobicContact CG2-CE1 3.64Å; I183-F220 HydrophobicContact CD1-CZ 4.4Å; I183-F220 HydrophobicContact CG1-CE1 4.24Å; I183-F220 HydrophobicContact CG2-CE1 4.34Å
184A98.1Very high95.6Very high0 Ų021.2 Ų21.20%010%0.1CC..Hα-helixtrans-62.5-36-173.400000113.5I186 I187 R188 V204 N207 E208A184-I186 PolarHBondContact O-N 3.38Å; A184-I187 PolarHBondContact O-N 2.63Å; A184-R188 WeakPolarHBondContact O-CG 3.43Å; A184-R188 PolarHBondContact O-N 2.65Å; A184-V204 HydrophobicContact CB-CG1 3.98Å; A184-N207 PolarHBondContact N-O 2.75Å; A184-E208 HydrophobicContact CB-CB 4.23Å
185N98.3Very high95.8Very high16 Ų1623.2 Ų23.29%0.08611%0.112CC..Hα-helixtrans-61.5-45.9-179.4-54.573.7000111.7L147 I183 R188 E189 E208 F209L147-N185 HydrophobicContact CD2-CB 4.13Å; I183-N185 VanDerWaalsContact C-N 3.34Å; I183-N185 HydrophobicContact CG2-CB 4.45Å; I183-N185 PolarHBondContact O-N 3Å; N185-R188 PolarHBondContact O-N 3.11Å; N185-E189 PolarHBondContact O-N 3.05Å; N185-E189 VanDerWaalsContact O-N 3.1Å; N185-E208 WeakPolarHBondContact OD1-CA 3.48Å; N185-F209 HydrophobicContact CB-CD1 4.21Å; N185-F209 HydrophobicContact CB-CD2 4.43Å; N185-F209 HydrophobicContact CB-CE1 3.55Å; N185-F209 HydrophobicContact CB-CE2 3.77Å; N185-F209 HydrophobicContact CB-CZ 3.3Å; N185-F209 WeakPolarHBondContact ND2-CE2 3.37Å; N185-F209 PolarHBondContact ND2-O 2.59Å; N185-F209 WeakPolarHBondContact OD1-CD1 3.17Å; N185-F209 PolarHBondContact OD1-N 3.2Å
186I98.5Very high95.9Very high0 Ų024.8 Ų24.80%013%0.134CC..Hα-helixtrans-72.9-33.3179.5-169.970.7000111.4T82 V85 F86 L147 L150 A151 I183 A184 R188 E189 L190T82-I186 HydrophobicContact CG2-CG2 3.8Å; V85-I186 HydrophobicContact CB-CG1 4.49Å; V85-I186 HydrophobicContact CG1-CD1 3.99Å; V85-I186 HydrophobicContact CG1-CG1 4.08Å; F86-I186 HydrophobicContact CE2-CB 3.85Å; F86-I186 HydrophobicContact CE2-CG1 4.46Å; F86-I186 HydrophobicContact CE2-CG2 3.81Å; F86-I186 HydrophobicContact CZ-CB 4.26Å; L147-I186 HydrophobicContact CD1-CB 4.12Å; L147-I186 HydrophobicContact CD1-CD1 3.65Å; L147-I186 HydrophobicContact CD1-CG1 4.5Å; L150-I186 HydrophobicContact CB-CD1 4.28Å; A151-I186 HydrophobicContact CB-CD1 3.78Å; I183-I186 HydrophobicContact CB-CG2 3.88Å; I183-I186 HydrophobicContact CG2-CG2 4.13Å; I183-I186 WeakPolarHBondContact O-CG2 3.32Å; I183-I186 PolarHBondContact O-N 3.16Å; A184-I186 PolarHBondContact O-N 3.38Å; I186-R188 PolarHBondContact O-N 3.38Å; I186-E189 PolarHBondContact O-N 2.9Å; I186-L190 HydrophobicContact CG1-CD1 4.14Å; I186-L190 HydrophobicContact CG1-CG 4.26Å; I186-L190 WeakPolarHBondContact O-CB 3.47Å; I186-L190 WeakPolarHBondContact O-CD1 3.25Å; I186-L190 WeakPolarHBondContact O-CG 3.35Å; I186-L190 PolarHBondContact O-N 3.12Å
187I98.5Very high96Very high0 Ų030 Ų300%015%0.153CC..Hα-helixtrans-57.7-49.3172.9-66.9170.4000110.5F64 T82 I178 I183 A184 E189 L190 F191 V204F64-I187 HydrophobicContact CB-CD1 3.88Å; F64-I187 HydrophobicContact CB-CG1 4.48Å; F64-I187 HydrophobicContact CD1-CD1 4.03Å; F64-I187 HydrophobicContact CD1-CG1 3.78Å; F64-I187 HydrophobicContact CD2-CD1 4.47Å; F64-I187 HydrophobicContact CD2-CG1 4.29Å; F64-I187 HydrophobicContact CD2-CG2 3.89Å; F64-I187 HydrophobicContact CE1-CG1 4.02Å; F64-I187 HydrophobicContact CE2-CG2 3.96Å; F64-I187 HydrophobicContact CG-CD1 3.86Å; F64-I187 HydrophobicContact CG-CG1 3.91Å; F64-I187 HydrophobicContact CG-CG2 4.33Å; F64-I187 HydrophobicContact CZ-CG1 4.38Å; F64-I187 HydrophobicContact CZ-CG2 4.46Å; T82-I187 HydrophobicContact CG2-CD1 4.12Å; T82-I187 HydrophobicContact CG2-CG1 3.57Å; I178-I187 HydrophobicContact CG2-CD1 4.4Å; I178-I187 HydrophobicContact CG2-CG2 4.47Å; I183-I187 WeakPolarHBondContact O-CG1 3.4Å; I183-I187 PolarHBondContact O-N 3.05Å; A184-I187 PolarHBondContact O-N 2.63Å; I187-E189 VanDerWaalsContact C-N 3.33Å; I187-E189 PolarHBondContact O-N 3.13Å; I187-L190 PolarHBondContact O-N 2.82Å; I187-F191 HydrophobicContact CG2-CD2 3.91Å; I187-F191 HydrophobicContact CG2-CE2 3.66Å; I187-F191 VanDerWaalsContact O-CD2 3.22Å; I187-F191 WeakPolarHBondContact O-CD2 3.38Å; I187-F191 PolarHBondContact O-N 2.92Å; I187-F191 VanDerWaalsContact O-N 3.09Å; I187-V204 HydrophobicContact CB-CG1 4.11Å; I187-V204 HydrophobicContact CD1-CG1 4.36Å; I187-V204 HydrophobicContact CG2-CG1 3.83Å; I187-V204 HydrophobicContact CG2-CG2 4.2Å
188R98.2Very high96.1Very high65 Ų6531.4 Ų31.425%0.24516%0.162CC..Hα-helixtrans-62.5-41.6178.3-66.7-178.7-160.2121-6.7111.6A184 N185 I186 F191 N192 V198 V204 E208A184-R188 WeakPolarHBondContact O-CG 3.43Å; A184-R188 PolarHBondContact O-N 2.65Å; N185-R188 PolarHBondContact O-N 3.11Å; I186-R188 PolarHBondContact O-N 3.38Å; R188-F191 PolarHBondContact O-N 3.42Å; R188-N192 PolarHBondContact O-N 2.82Å; R188-N192 PolarHBondContact O-ND2 3.15Å; R188-V198 HydrophobicContact CB-CG2 3.96Å; R188-V198 HydrophobicContact CG-CG2 4.24Å; R188-V204 HydrophobicContact CG-CB 4.16Å; R188-V204 HydrophobicContact CG-CG1 4.41Å; R188-V204 HydrophobicContact CG-CG2 4.03Å; R188-V204 PolarHBondContact NH2-O 2.93Å; R188-E208 IonicContact CZ-OE1 2.67Å; R188-E208 IonicContact CZ-OE2 3.68Å; R188-E208 IonicContact NH1-OE1 2.82Å; R188-E208 PolarHBondContact NH1-OE1 2.74Å; R188-E208 IonicContact NH1-OE2 3.07Å; R188-E208 PolarHBondContact NH1-OE2 3.47Å; R188-E208 IonicContact NH2-OE1 3.17Å; R188-E208 IonicContact NH2-OE2 2.67Å; R188-E208 PolarHBondContact NH2-OE2 2.75Å
189E97.9Very high96Very high37 Ų3731.8 Ų31.817%0.17317%0.165CC..Hα-helixtrans-67.9-35.7178.3-164.360.2-158.100112.5L147 K148 A151 N185 I186 I187 F191 N192 H193L147-E189 HydrophobicContact CG-CB 4.32Å; L147-E189 HydrophobicContact CG-CG 4.33Å; K148-E189 WeakPolarHBondContact CG-OE1 3.34Å; A151-E189 HydrophobicContact CB-CB 4Å; A151-E189 HydrophobicContact CB-CG 3.52Å; N185-E189 PolarHBondContact O-N 3.05Å; N185-E189 VanDerWaalsContact O-N 3.1Å; I186-E189 PolarHBondContact O-N 2.9Å; I187-E189 VanDerWaalsContact C-N 3.33Å; I187-E189 PolarHBondContact O-N 3.13Å; E189-F191 VanDerWaalsContact C-N 3.35Å; E189-F191 PolarHBondContact O-N 3.4Å; E189-N192 WeakPolarHBondContact O-CB 3.37Å; E189-N192 PolarHBondContact O-N 3.17Å; E189-N192 PolarHBondContact OE2-ND2 3.38Å; E189-H193 WeakPolarHBondContact O-CB 3.45Å; E189-H193 PolarHBondContact O-N 3.31Å
190L97.4Very high95.8Very high4 Ų439.1 Ų39.12%0.02120%0.203CC..Hα-helixtrans-62.1-41.4172.8-74.1163.2000111.6F64 A151 A154 I156 I186 I187 H193 R194F64-L190 HydrophobicContact CE1-CD1 4.1Å; F64-L190 HydrophobicContact CZ-CD1 3.99Å; A151-L190 HydrophobicContact CB-CD2 4.44Å; A154-L190 HydrophobicContact CB-CD2 3.88Å; I156-L190 HydrophobicContact CB-CD1 4.46Å; I156-L190 HydrophobicContact CB-CD2 4.44Å; I156-L190 HydrophobicContact CD1-CD1 3.74Å; I156-L190 HydrophobicContact CG2-CD1 4.27Å; I186-L190 HydrophobicContact CG1-CD1 4.14Å; I186-L190 HydrophobicContact CG1-CG 4.26Å; I186-L190 WeakPolarHBondContact O-CB 3.47Å; I186-L190 WeakPolarHBondContact O-CD1 3.25Å; I186-L190 WeakPolarHBondContact O-CG 3.35Å; I186-L190 PolarHBondContact O-N 3.12Å; I187-L190 PolarHBondContact O-N 2.82Å; L190-H193 PolarHBondContact O-N 3.23Å; L190-R194 VanDerWaalsContact O-CB 3.28Å; L190-R194 WeakPolarHBondContact O-CB 3.49Å; L190-R194 WeakPolarHBondContact O-CG 3.39Å; L190-R194 PolarHBondContact O-N 3.08Å
191F96.9Very high95.6Very high1 Ų140.3 Ų40.30%0.00421%0.209CC..Hα-helixtrans-65.1-43.8173.6-78.5-62.3000112F64 L158 F162 L166 I187 R188 E189 H193 V195 G196 V198 M202F64-F191 HydrophobicContact CD2-CE2 4.41Å; F64-F191 AromaticContact CE2-CE2 3.99Å; F64-F191 HydrophobicContact CE2-CE2 3.99Å; F64-F191 HydrophobicContact CE2-CZ 4.03Å; L158-F191 HydrophobicContact CD1-CE1 4.38Å; F162-F191 HydrophobicContact CE1-CE1 4.01Å; F162-F191 HydrophobicContact CE1-CZ 4.02Å; L166-F191 HydrophobicContact CD1-CD1 4.33Å; L166-F191 HydrophobicContact CD1-CE1 3.65Å; L166-F191 HydrophobicContact CD1-CZ 4.4Å; I187-F191 HydrophobicContact CG2-CD2 3.91Å; I187-F191 HydrophobicContact CG2-CE2 3.66Å; I187-F191 VanDerWaalsContact O-CD2 3.22Å; I187-F191 WeakPolarHBondContact O-CD2 3.38Å; I187-F191 PolarHBondContact O-N 2.92Å; I187-F191 VanDerWaalsContact O-N 3.09Å; R188-F191 PolarHBondContact O-N 3.42Å; E189-F191 VanDerWaalsContact C-N 3.35Å; E189-F191 PolarHBondContact O-N 3.4Å; F191-H193 VanDerWaalsContact C-N 3.28Å; F191-H193 PolarHBondContact O-N 3.27Å; F191-V195 HydrophobicContact CD1-CB 4.43Å; F191-V195 HydrophobicContact CD1-CG2 3.81Å; F191-V195 HydrophobicContact CE1-CG2 4.43Å; F191-V195 CarbonylContact O-C 3.47Å; F191-V195 WeakPolarHBondContact O-CA 3.5Å; F191-V195 WeakPolarHBondContact O-CB 3.44Å; F191-V195 PolarHBondContact O-N 3.09Å; F191-G196 PolarHBondContact O-N 3.02Å; F191-G196 VanDerWaalsContact O-N 3.12Å; F191-V198 HydrophobicContact CB-CG2 4.08Å; F191-M202 HydrophobicContact CD2-SD 3.88Å; F191-M202 HydrophobicContact CE1-CE 4.05Å; F191-M202 HydrophobicContact CE1-SD 4.49Å; F191-M202 HydrophobicContact CE2-CE 4.03Å; F191-M202 HydrophobicContact CE2-SD 3.56Å; F191-M202 VanDerWaalsContact CE2-SD 3.56Å; F191-M202 HydrophobicContact CG-SD 4.47Å; F191-M202 HydrophobicContact CZ-CE 3.72Å; F191-M202 HydrophobicContact CZ-SD 3.91Å
192N95.9Very high95.5Very high66 Ų6640.7 Ų40.735%0.35321%0.209SC..Hα-helixtrans-57-43.7173.4-69.7-28.6000111.6R188 E189 G196 R197 V198R188-N192 PolarHBondContact O-N 2.82Å; R188-N192 PolarHBondContact O-ND2 3.15Å; E189-N192 WeakPolarHBondContact O-CB 3.37Å; E189-N192 PolarHBondContact O-N 3.17Å; E189-N192 PolarHBondContact OE2-ND2 3.38Å; N192-G196 CarbonylContact O-C 3.47Å; N192-G196 WeakPolarHBondContact O-CA 3.33Å; N192-G196 PolarHBondContact O-N 3.41Å; N192-R197 WeakPolarHBondContact OD1-CA 3.28Å; N192-V198 PolarHBondContact OD1-N 2.87Å
193H93Very high95.3Very high103 Ų10344.7 Ų44.748%0.47722%0.223SC..Hα-helixtrans-75.1-40.1-176.8-171.7-81.8000113.5S152 E189 L190 F191S152-H193 WeakPolarHBondContact CB-NE2 3.29Å; E189-H193 WeakPolarHBondContact O-CB 3.45Å; E189-H193 PolarHBondContact O-N 3.31Å; L190-H193 PolarHBondContact O-N 3.23Å; F191-H193 VanDerWaalsContact C-N 3.28Å; F191-H193 PolarHBondContact O-N 3.27Å
194R90.8Very high95.2Very high102 Ų10245.3 Ų45.339%0.38523%0.228SC..Hα-helixtrans-99.3-29.7-171-63.5-177174.8-111.2-2114.3A154 I156 L190A154-R194 PolarHBondContact O-NH2 3.4Å; I156-R194 PolarHBondContact O-NE 3.14Å; I156-R194 PolarHBondContact O-NH1 3.18Å; I156-R194 PolarHBondContact O-NH2 2.68Å; L190-R194 VanDerWaalsContact O-CB 3.28Å; L190-R194 WeakPolarHBondContact O-CB 3.49Å; L190-R194 WeakPolarHBondContact O-CG 3.39Å; L190-R194 PolarHBondContact O-N 3.08Å
195V91.1Very high95Very high41 Ų4146.3 Ų46.325%0.24823%0.232CC..THydrogen-bonded Turntrans-107.6-15179.6-174.90000111L158 F191 R197L158-V195 HydrophobicContact CD1-CG2 4.14Å; F191-V195 HydrophobicContact CD1-CB 4.43Å; F191-V195 HydrophobicContact CD1-CG2 3.81Å; F191-V195 HydrophobicContact CE1-CG2 4.43Å; F191-V195 CarbonylContact O-C 3.47Å; F191-V195 WeakPolarHBondContact O-CA 3.5Å; F191-V195 WeakPolarHBondContact O-CB 3.44Å; F191-V195 PolarHBondContact O-N 3.09Å; V195-R197 VanDerWaalsContact C-N 3.32Å
196G93.2Very high94.9Very high62 Ų6246.1 Ų46.164%0.63924%0.235SC*.SBendtrans93.8-19.1179.700000113.6F191 N192F191-G196 PolarHBondContact O-N 3.02Å; F191-G196 VanDerWaalsContact O-N 3.12Å; N192-G196 CarbonylContact O-C 3.47Å; N192-G196 WeakPolarHBondContact O-CA 3.33Å; N192-G196 PolarHBondContact O-N 3.41Å
197R94.9Very high94.8Very high110 Ų11046.2 Ų46.242%0.41524%0.235SC..SBendtrans-164.6162.5172.361.6-178.5177.598.42.8110.7E170 N192 V195E170-R197 IonicContact OE1-CZ 3.32Å; E170-R197 IonicContact OE1-NH1 2.73Å; E170-R197 PolarHBondContact OE1-NH1 3.09Å; E170-R197 IonicContact OE1-NH2 3.06Å; E170-R197 PolarHBondContact OE1-NH2 3.4Å; E170-R197 IonicContact OE2-CZ 3.61Å; E170-R197 IonicContact OE2-NH1 3.8Å; E170-R197 IonicContact OE2-NH2 2.68Å; E170-R197 PolarHBondContact OE2-NH2 3.32Å; N192-R197 WeakPolarHBondContact OD1-CA 3.28Å; V195-R197 VanDerWaalsContact C-N 3.32Å
198V95.5Very high94.8Very high38 Ų3849.2 Ų49.223%0.2325%0.249CC..  trans-70.2126.3159.3-175.40000108.9R188 F191 N192 M202R188-V198 HydrophobicContact CB-CG2 3.96Å; R188-V198 HydrophobicContact CG-CG2 4.24Å; F191-V198 HydrophobicContact CB-CG2 4.08Å; N192-V198 PolarHBondContact OD1-N 2.87Å; V198-M202 HydrophobicContact CG1-CB 4.28Å; V198-M202 HydrophobicContact CG1-CG 4.45Å; V198-M202 HydrophobicContact CG1-SD 4.22Å
199P93.8Very high94.8Very high8 Ų846.2 Ų46.25%0.05224%0.238CC..  trans-59.4147.2176.4-24.935.1000112.7L166 N201 M202L166-P199 HydrophobicContact CD1-CG 4.32Å; P199-N201 VanDerWaalsContact C-N 3.32Å; P199-N201 VanDerWaalsContact CB-OD1 3.3Å; P199-N201 WeakPolarHBondContact CB-OD1 3.21Å; P199-N201 PolarHBondContact O-N 3.19Å; P199-M202 HydrophobicContact CB-CB 4.08Å; P199-M202 HydrophobicContact CG-CB 4.45Å; P199-M202 HydrophobicContact CG-CE 4.14Å; P199-M202 WeakPolarHBondContact O-CB 3.38Å; P199-M202 PolarHBondContact O-N 2.85Å; P199-M202 VanDerWaalsContact O-N 3.07Å
200L91.9Very high94.8Very high154 Ų15446.1 Ų46.181%0.80624%0.241SC*.THydrogen-bonded Turntrans-70.8-29.2-174-69.9172.2000113.1E170 M202E170-L200 PolarHBondContact OE1-N 2.89Å; L200-M202 PolarHBondContact O-N 3.17Å
201N91.6Very high94.8Very high26 Ų2647.5 Ų47.514%0.13925%0.247CC..THydrogen-bonded Turntrans-822.7174.366-43.4000112.7A169 E170 V174 P175 V176 P199A169-N201 VanDerWaalsContact C-ND2 3.32Å; E170-N201 WeakPolarHBondContact CA-ND2 3.49Å; E170-N201 WeakPolarHBondContact CB-OD1 3.31Å; E170-N201 WeakPolarHBondContact CG-OD1 3.22Å; E170-N201 PolarHBondContact N-ND2 3.49Å; E170-N201 VanDerWaalsContact N-ND2 3.19Å; V174-N201 PolarHBondContact O-ND2 3.13Å; P175-N201 WeakPolarHBondContact CA-O 3.47Å; V176-N201 PolarHBondContact N-O 2.87Å; P199-N201 VanDerWaalsContact C-N 3.32Å; P199-N201 VanDerWaalsContact CB-OD1 3.3Å; P199-N201 WeakPolarHBondContact CB-OD1 3.21Å; P199-N201 PolarHBondContact O-N 3.19Å
202M94.1Very high94.9Very high20 Ų2050.1 Ų50.110%0.09926%0.261CS..EExtended strand (participates in β ladder)trans-98.5132-178.4-175.3179.8-72.100112.2L166 V176 I178 F191 V198 P199 L200 V204L166-M202 HydrophobicContact CD1-CE 3.8Å; L166-M202 HydrophobicContact CD2-CE 3.33Å; L166-M202 HydrophobicContact CG-CE 4.22Å; V176-M202 HydrophobicContact CG1-CE 4.24Å; V176-M202 CarbonylContact O-C 3.58Å; V176-M202 WeakPolarHBondContact O-CA 3.33Å; I178-M202 HydrophobicContact CD1-CE 4.33Å; I178-M202 HydrophobicContact CG1-CE 4.34Å; I178-M202 HydrophobicContact CG1-CG 4.18Å; I178-M202 HydrophobicContact CG1-SD 3.89Å; F191-M202 HydrophobicContact CD2-SD 3.88Å; F191-M202 HydrophobicContact CE1-CE 4.05Å; F191-M202 HydrophobicContact CE1-SD 4.49Å; F191-M202 HydrophobicContact CE2-CE 4.03Å; F191-M202 HydrophobicContact CE2-SD 3.56Å; F191-M202 VanDerWaalsContact CE2-SD 3.56Å; F191-M202 HydrophobicContact CG-SD 4.47Å; F191-M202 HydrophobicContact CZ-CE 3.72Å; F191-M202 HydrophobicContact CZ-SD 3.91Å; V198-M202 HydrophobicContact CG1-CB 4.28Å; V198-M202 HydrophobicContact CG1-CG 4.45Å; V198-M202 HydrophobicContact CG1-SD 4.22Å; P199-M202 HydrophobicContact CB-CB 4.08Å; P199-M202 HydrophobicContact CG-CB 4.45Å; P199-M202 HydrophobicContact CG-CE 4.14Å; P199-M202 WeakPolarHBondContact O-CB 3.38Å; P199-M202 PolarHBondContact O-N 2.85Å; P199-M202 VanDerWaalsContact O-N 3.07Å; L200-M202 PolarHBondContact O-N 3.17Å; M202-V204 HydrophobicContact CG-CG2 4.23Å; M202-V204 HydrophobicContact SD-CG2 4.08Å
203R93.6Very high94.9Very high85 Ų8555.1 Ų55.132%0.32128%0.282SS..EExtended strand (participates in β ladder)trans-110.9136.3165.7-174.8177.3-65.6170.72.4109.2V176 T177 I178 I205V176-R203 PolarHBondContact O-N 3.3Å; T177-R203 CarbonylContact C-O 3.38Å; T177-R203 WeakPolarHBondContact CA-O 3.48Å; T177-R203 HydrophobicContact CG2-CB 4.46Å; I178-R203 PolarHBondContact N-O 3.31Å; R203-I205 HydrophobicContact CG-CD1 4.43Å; R203-I205 HydrophobicContact CG-CG1 4.03Å
204V95.2Very high95.1Very high14 Ų1457.8 Ų57.89%0.08529%0.293CS..EExtended strand (participates in β ladder)trans-115.4116.8174-177.30000109.1I178 A184 I187 R188 M202I178-V204 HydrophobicContact CB-CG1 4.4Å; I178-V204 HydrophobicContact CB-CG2 4.3Å; I178-V204 HydrophobicContact CG1-CG2 4.24Å; A184-V204 HydrophobicContact CB-CG1 3.98Å; I187-V204 HydrophobicContact CB-CG1 4.11Å; I187-V204 HydrophobicContact CD1-CG1 4.36Å; I187-V204 HydrophobicContact CG2-CG1 3.83Å; I187-V204 HydrophobicContact CG2-CG2 4.2Å; R188-V204 HydrophobicContact CG-CB 4.16Å; R188-V204 HydrophobicContact CG-CG1 4.41Å; R188-V204 HydrophobicContact CG-CG2 4.03Å; R188-V204 PolarHBondContact NH2-O 2.93Å; M202-V204 HydrophobicContact CG-CG2 4.23Å; M202-V204 HydrophobicContact SD-CG2 4.08Å
205I94.6Very high95.4Very high20 Ų2053.5 Ų53.510%0.10328%0.28CS..EExtended strand (participates in β ladder)trans-115.6121.8176.4-54.3174.8000107.1T177 I178 F179 S180 R203 I225 I235T177-I205 HydrophobicContact CG2-CD1 3.62Å; T177-I205 HydrophobicContact CG2-CG1 4.13Å; I178-I205 PolarHBondContact O-N 2.65Å; I178-I205 VanDerWaalsContact O-O 3.11Å; F179-I205 WeakPolarHBondContact CA-O 3.27Å; F179-I205 HydrophobicContact CD2-CB 4.05Å; F179-I205 HydrophobicContact CD2-CG2 3.72Å; F179-I205 HydrophobicContact CE2-CG2 3.79Å; S180-I205 PolarHBondContact N-O 3.07Å; R203-I205 HydrophobicContact CG-CD1 4.43Å; R203-I205 HydrophobicContact CG-CG1 4.03Å; I205-I225 HydrophobicContact CG2-CD1 4Å; I205-I235 HydrophobicContact CD1-CD1 3.76Å; I205-I235 HydrophobicContact CD1-CG1 4.01Å; I205-I235 HydrophobicContact CD1-CG2 3.82Å; I205-I235 HydrophobicContact CG2-CG1 4.26Å
206G95.6Very high95.8Very high13 Ų1353.5 Ų53.513%0.13428%0.28CS..EExtended strand (participates in β ladder)trans-176.7-168.3176.600000110.6S180 E208S180-G206 WeakPolarHBondContact O-CA 3.38Å; G206-E208 PolarHBondContact O-N 3.31Å
207N97.9Very high96Very high2 Ų250.7 Ų50.71%0.01125%0.251CS..EExtended strand (participates in β ladder)trans-68.9117.3177.6-66.6-56.4000109.8A181 G182 I183 A184 F220 L224 I225A181-N207 PolarHBondContact O-ND2 2.99Å; G182-N207 WeakPolarHBondContact O-CB 3.37Å; G182-N207 PolarHBondContact O-N 2.78Å; G182-N207 PolarHBondContact O-ND2 2.68Å; I183-N207 CarbonylContact C-O 3.59Å; I183-N207 VanDerWaalsContact CA-O 3.29Å; I183-N207 WeakPolarHBondContact CA-O 3.18Å; A184-N207 PolarHBondContact N-O 2.75Å; N207-F220 HydrophobicContact CB-CD1 4.06Å; N207-F220 HydrophobicContact CB-CE1 4.14Å; N207-L224 WeakPolarHBondContact OD1-CD1 3.43Å; N207-I225 PolarHBondContact ND2-O 2.9Å; N207-I225 PolarHBondContact OD1-N 3.49Å; N207-I225 PolarHBondContact OD1-O 2.92Å
208E97.4Very high96.2Very high62 Ų6248.4 Ų48.429%0.2925%0.251SS..  trans-115.6129.8-174.7-173.6158.8-169.800109.7A184 N185 R188 G206 F220 F221A184-E208 HydrophobicContact CB-CB 4.23Å; N185-E208 WeakPolarHBondContact OD1-CA 3.48Å; R188-E208 IonicContact CZ-OE1 2.67Å; R188-E208 IonicContact CZ-OE2 3.68Å; R188-E208 IonicContact NH1-OE1 2.82Å; R188-E208 PolarHBondContact NH1-OE1 2.74Å; R188-E208 IonicContact NH1-OE2 3.07Å; R188-E208 PolarHBondContact NH1-OE2 3.47Å; R188-E208 IonicContact NH2-OE1 3.17Å; R188-E208 IonicContact NH2-OE2 2.67Å; R188-E208 PolarHBondContact NH2-OE2 2.75Å; G206-E208 PolarHBondContact O-N 3.31Å; E208-F220 CarbonylContact O-C 3.58Å; E208-F220 WeakPolarHBondContact O-CA 3.29Å; E208-F221 HydrophobicContact CB-CD2 3.93Å; E208-F221 HydrophobicContact CG-CD2 3.85Å; E208-F221 HydrophobicContact CG-CE2 4.15Å; E208-F221 WeakPolarHBondContact O-CB 3.05Å; E208-F221 VanDerWaalsContact O-CD2 3.24Å; E208-F221 WeakPolarHBondContact O-CD2 3.49Å; E208-F221 PolarHBondContact O-N 2.65Å
209F98.2Very high96.3Very high3 Ų347.5 Ų47.51%0.01325%0.249CC..EExtended strand (participates in β ladder)trans-99.2157.9170.460.2-107.7000111.7F86 L147 I183 N185 F211 V217 G219 F220F86-F209 AromaticContact CE1-CE1 4Å; F86-F209 HydrophobicContact CE1-CE1 4Å; F86-F209 HydrophobicContact CE1-CZ 4.36Å; F86-F209 HydrophobicContact CE2-CE1 4.3Å; F86-F209 AromaticContact CZ-CE1 3.49Å; F86-F209 HydrophobicContact CZ-CE1 3.49Å; F86-F209 VanDerWaalsContact CZ-CE1 3.49Å; F86-F209 AromaticContact CZ-CZ 3.98Å; F86-F209 HydrophobicContact CZ-CZ 3.98Å; L147-F209 HydrophobicContact CD1-CZ 4.12Å; L147-F209 HydrophobicContact CD2-CZ 4.17Å; I183-F209 HydrophobicContact CG2-CD1 3.85Å; I183-F209 HydrophobicContact CG2-CE1 3.64Å; N185-F209 HydrophobicContact CB-CD1 4.21Å; N185-F209 HydrophobicContact CB-CD2 4.43Å; N185-F209 HydrophobicContact CB-CE1 3.55Å; N185-F209 HydrophobicContact CB-CE2 3.77Å; N185-F209 HydrophobicContact CB-CZ 3.3Å; N185-F209 WeakPolarHBondContact ND2-CE2 3.37Å; N185-F209 PolarHBondContact ND2-O 2.59Å; N185-F209 WeakPolarHBondContact OD1-CD1 3.17Å; N185-F209 PolarHBondContact OD1-N 3.2Å; F209-F211 HydrophobicContact CD2-CE2 4.44Å; F209-F211 HydrophobicContact CD2-CZ 4.38Å; F209-F211 AromaticContact CE2-CE1 3.96Å; F209-F211 HydrophobicContact CE2-CE1 3.96Å; F209-F211 AromaticContact CE2-CE2 3.84Å; F209-F211 HydrophobicContact CE2-CE2 3.84Å; F209-F211 AromaticContact CE2-CZ 3.52Å; F209-F211 HydrophobicContact CE2-CZ 3.52Å; F209-F211 HydrophobicContact CZ-CZ 4.39Å; F209-V217 HydrophobicContact CB-CG1 3.92Å; F209-V217 HydrophobicContact CD2-CB 4.39Å; F209-V217 HydrophobicContact CD2-CG1 4.05Å; F209-V217 HydrophobicContact CD2-CG2 3.58Å; F209-V217 HydrophobicContact CE2-CG2 3.55Å; F209-V217 HydrophobicContact CG-CG1 3.93Å; F209-V217 HydrophobicContact CG-CG2 4.15Å; F209-V217 HydrophobicContact CZ-CG2 4.07Å; F209-G219 CarbonylContact C-O 3.44Å; F209-G219 WeakPolarHBondContact CA-O 3.43Å; F209-G219 WeakPolarHBondContact CB-O 3.38Å; F209-F220 HydrophobicContact CB-CD1 4.1Å; F209-F220 HydrophobicContact CB-CD2 3.97Å; F209-F220 HydrophobicContact CB-CE1 4.05Å; F209-F220 HydrophobicContact CB-CE2 3.92Å; F209-F220 HydrophobicContact CB-CG 4.08Å; F209-F220 HydrophobicContact CB-CZ 3.97Å; F209-F220 AromaticContact CD1-CE1 3.95Å; F209-F220 HydrophobicContact CD1-CE1 3.95Å; F209-F220 HydrophobicContact CD1-CE2 4.29Å; F209-F220 AromaticContact CD1-CZ 3.68Å; F209-F220 HydrophobicContact CD1-CZ 3.68Å; F209-F220 HydrophobicContact CG-CZ 4.31Å
210S97.6Very high96.5Very high34 Ų3449.1 Ų49.124%0.23826%0.256CS..EExtended strand (participates in β ladder)trans-105.9157.2172.556.10000110.9V217 C218 G219S210-V217 WeakPolarHBondContact O-CA 3.49Å; S210-C218 PolarHBondContact O-N 2.71Å; S210-C218 PolarHBondContact OG-SG 3.49Å; S210-C218 VanDerWaalsContact OG-SG 3.38Å; S210-G219 PolarHBondContact N-O 2.82Å; S210-G219 PolarHBondContact OG-O 2.86Å
211F97.9Very high96.7Very high34 Ų3446 Ų4615%0.14924%0.236CC..EExtended strand (participates in β ladder)trans-104.3143.9169.9-62.2-82.8000109.3R144 L147 F209 G215 V216 V217R144-F211 HydrophobicContact CB-CE1 4.28Å; R144-F211 HydrophobicContact CB-CZ 4.27Å; R144-F211 HydrophobicContact CG-CD1 3.72Å; R144-F211 HydrophobicContact CG-CD2 3.9Å; R144-F211 HydrophobicContact CG-CE1 3.6Å; R144-F211 HydrophobicContact CG-CE2 3.77Å; R144-F211 HydrophobicContact CG-CG 3.85Å; R144-F211 HydrophobicContact CG-CZ 3.59Å; R144-F211 VanDerWaalsContact CZ-CD2 3.41Å; R144-F211 VanDerWaalsContact NH1-CD2 3.35Å; L147-F211 HydrophobicContact CD2-CZ 4.06Å; F209-F211 HydrophobicContact CD2-CE2 4.44Å; F209-F211 HydrophobicContact CD2-CZ 4.38Å; F209-F211 AromaticContact CE2-CE1 3.96Å; F209-F211 HydrophobicContact CE2-CE1 3.96Å; F209-F211 AromaticContact CE2-CE2 3.84Å; F209-F211 HydrophobicContact CE2-CE2 3.84Å; F209-F211 AromaticContact CE2-CZ 3.52Å; F209-F211 HydrophobicContact CE2-CZ 3.52Å; F209-F211 HydrophobicContact CZ-CZ 4.39Å; F211-G215 WeakPolarHBondContact CD1-O 3.07Å; F211-V216 CarbonylContact C-O 3.54Å; F211-V216 VanDerWaalsContact CA-O 3.22Å; F211-V216 WeakPolarHBondContact CA-O 3.45Å; F211-V217 HydrophobicContact CD1-CG2 4.11Å; F211-V217 HydrophobicContact CE1-CG2 3.81Å
212D98Very high96.9Very high56 Ų5649.7 Ų49.730%0.29925%0.252SS..  trans-72.8-175.1169.165.416.8000112.1F214 G215 V216 C218D212-F214 PolarHBondContact O-N 2.83Å; D212-F214 WeakPolarHBondContact OD1-CA 3.21Å; D212-F214 WeakPolarHBondContact OD1-CB 3.33Å; D212-F214 PolarHBondContact OD1-N 3.48Å; D212-G215 PolarHBondContact O-N 3.25Å; D212-G215 PolarHBondContact OD1-N 2.82Å; D212-V216 PolarHBondContact N-O 2.85Å; D212-V216 PolarHBondContact OD1-N 3.18Å; D212-C218 HydrophobicContact CB-CB 3.91Å; D212-C218 PolarHBondContact N-SG 3.22Å
213E97.4Very high96.8Very high171 Ų17151 Ų5180%0.79926%0.262SS*.THydrogen-bonded Turntrans-61.9-22177.864.3-172.5-168.900113.9
214F97Very high96.9Very high159 Ų15947.5 Ų47.570%0.69725%0.25SC*.THydrogen-bonded Turntrans-91.7-0176.2-55.3-69.8000112.6D212 V216D212-F214 PolarHBondContact O-N 2.83Å; D212-F214 WeakPolarHBondContact OD1-CA 3.21Å; D212-F214 WeakPolarHBondContact OD1-CB 3.33Å; D212-F214 PolarHBondContact OD1-N 3.48Å; F214-V216 HydrophobicContact CB-CG2 4.41Å
215G97.7Very high96.9Very high11 Ų1147 Ų4711%0.11325%0.247CC..SBendtrans76.225.9-178.900000113.3S143 R144 F211 D212S143-G215 CarbonylContact C-O 3.52Å; S143-G215 WeakPolarHBondContact CA-O 3.43Å; R144-G215 PolarHBondContact N-O 2.99Å; F211-G215 WeakPolarHBondContact CD1-O 3.07Å; D212-G215 PolarHBondContact O-N 3.25Å; D212-G215 PolarHBondContact OD1-N 2.82Å
216V98.3Very high96.8Very high41 Ų4146.1 Ų46.125%0.24824%0.242CC..BIsolated β-bridgetrans-105.3140.9177.6179.30000110.4F142 F211 D212 F214 C218F142-V216 CarbonylContact O-C 3.57Å; F142-V216 WeakPolarHBondContact O-CA 3.42Å; F211-V216 CarbonylContact C-O 3.54Å; F211-V216 VanDerWaalsContact CA-O 3.22Å; F211-V216 WeakPolarHBondContact CA-O 3.45Å; D212-V216 PolarHBondContact N-O 2.85Å; D212-V216 PolarHBondContact OD1-N 3.18Å; F214-V216 HydrophobicContact CB-CG2 4.41Å; V216-C218 PolarHBondContact O-N 2.95Å
217V98.5Very high96.5Very high4 Ų446.5 Ų46.52%0.02424%0.242CC..EExtended strand (participates in β ladder)trans-58.7119.3177.6175.50000110.1I137 V138 F142 F209 S210 F211I137-V217 HydrophobicContact CG2-CG1 4.28Å; V138-V217 HydrophobicContact CG2-CG1 4.16Å; F142-V217 HydrophobicContact CB-CG2 4.15Å; F142-V217 WeakPolarHBondContact O-CG2 3.47Å; F142-V217 PolarHBondContact O-N 2.94Å; F209-V217 HydrophobicContact CB-CG1 3.92Å; F209-V217 HydrophobicContact CD2-CB 4.39Å; F209-V217 HydrophobicContact CD2-CG1 4.05Å; F209-V217 HydrophobicContact CD2-CG2 3.58Å; F209-V217 HydrophobicContact CE2-CG2 3.55Å; F209-V217 HydrophobicContact CG-CG1 3.93Å; F209-V217 HydrophobicContact CG-CG2 4.15Å; F209-V217 HydrophobicContact CZ-CG2 4.07Å; S210-V217 WeakPolarHBondContact O-CA 3.49Å; F211-V217 HydrophobicContact CD1-CG2 4.11Å; F211-V217 HydrophobicContact CE1-CG2 3.81Å
218C98Very high96Very high62 Ų6248.8 Ų48.842%0.41925%0.251SS..EExtended strand (participates in β ladder)trans-118.4-10.5-172.765.70000114.6S210 D212 V216S210-C218 PolarHBondContact O-N 2.71Å; S210-C218 PolarHBondContact OG-SG 3.49Å; S210-C218 VanDerWaalsContact OG-SG 3.38Å; D212-C218 HydrophobicContact CB-CB 3.91Å; D212-C218 PolarHBondContact N-SG 3.22Å; V216-C218 PolarHBondContact O-N 2.95Å
219G98.2Very high95.7Very high19 Ų1947.1 Ų47.120%0.19624%0.244CC..EExtended strand (participates in β ladder)trans170.2160178.700000113F209 S210F209-G219 CarbonylContact C-O 3.44Å; F209-G219 WeakPolarHBondContact CA-O 3.43Å; F209-G219 WeakPolarHBondContact CB-O 3.38Å; S210-G219 PolarHBondContact N-O 2.82Å; S210-G219 PolarHBondContact OG-O 2.86Å
220F98.1Very high95.2Very high42 Ų4247.6 Ų47.618%0.18425%0.246CC..EExtended strand (participates in β ladder)trans-97.2144.8172.9-80.6-103.9000111.1H134 I137 V138 I183 N207 E208 F209H134-F220 HydrophobicContact CB-CD2 3.56Å; H134-F220 HydrophobicContact CB-CE2 3.68Å; H134-F220 HydrophobicContact CB-CG 4Å; H134-F220 HydrophobicContact CB-CZ 4.22Å; H134-F220 AromaticContact CD2-CE1 3.74Å; H134-F220 AromaticContact CD2-CZ 3.66Å; H134-F220 AromaticContact CE1-CD1 3.91Å; H134-F220 AromaticContact CG-CD1 3.93Å; H134-F220 AromaticContact CG-CD2 3.85Å; H134-F220 AromaticContact CG-CE1 3.95Å; H134-F220 AromaticContact CG-CE2 3.86Å; H134-F220 AromaticContact CG-CG 3.87Å; H134-F220 AromaticContact CG-CZ 3.9Å; H134-F220 AromaticContact ND1-CD1 3.77Å; H134-F220 AromaticContact ND1-CG 3.83Å; H134-F220 AromaticContact NE2-CE1 3.8Å; I137-F220 HydrophobicContact CB-CE2 4.11Å; I137-F220 HydrophobicContact CB-CZ 4.46Å; I137-F220 HydrophobicContact CD1-CE2 4.38Å; I137-F220 HydrophobicContact CD1-CZ 3.96Å; I137-F220 HydrophobicContact CG2-CE2 4.13Å; I137-F220 HydrophobicContact CG2-CZ 4.31Å; V138-F220 HydrophobicContact CG2-CD2 4.24Å; V138-F220 HydrophobicContact CG2-CE2 4.46Å; I183-F220 HydrophobicContact CD1-CZ 4.4Å; I183-F220 HydrophobicContact CG1-CE1 4.24Å; I183-F220 HydrophobicContact CG2-CE1 4.34Å; N207-F220 HydrophobicContact CB-CD1 4.06Å; N207-F220 HydrophobicContact CB-CE1 4.14Å; E208-F220 CarbonylContact O-C 3.58Å; E208-F220 WeakPolarHBondContact O-CA 3.29Å; F209-F220 HydrophobicContact CB-CD1 4.1Å; F209-F220 HydrophobicContact CB-CD2 3.97Å; F209-F220 HydrophobicContact CB-CE1 4.05Å; F209-F220 HydrophobicContact CB-CE2 3.92Å; F209-F220 HydrophobicContact CB-CG 4.08Å; F209-F220 HydrophobicContact CB-CZ 3.97Å; F209-F220 AromaticContact CD1-CE1 3.95Å; F209-F220 HydrophobicContact CD1-CE1 3.95Å; F209-F220 HydrophobicContact CD1-CE2 4.29Å; F209-F220 AromaticContact CD1-CZ 3.68Å; F209-F220 HydrophobicContact CD1-CZ 3.68Å; F209-F220 HydrophobicContact CG-CZ 4.31Å
221F96.1Very high94.7Very high89 Ų8948 Ų4839%0.3925%0.245SC..PPolyproline II helixtrans-77.4141.7173.6-70.8-65.4000111.3E208 K236E208-F221 HydrophobicContact CB-CD2 3.93Å; E208-F221 HydrophobicContact CG-CD2 3.85Å; E208-F221 HydrophobicContact CG-CE2 4.15Å; E208-F221 WeakPolarHBondContact O-CB 3.05Å; E208-F221 VanDerWaalsContact O-CD2 3.24Å; E208-F221 WeakPolarHBondContact O-CD2 3.49Å; E208-F221 PolarHBondContact O-N 2.65Å; F221-K236 VanDerWaalsContact CB-NZ 3.34Å
222E94.3Very high93.8Very high102 Ų10247.5 Ų47.548%0.47724%0.244SC..SBendtrans-80.7155.5166.2-67-64.8165.900111.7R131 L224 K236R131-E222 IonicContact CZ-OE1 2.68Å; R131-E222 IonicContact NH1-OE1 2.66Å; R131-E222 PolarHBondContact NH1-OE1 2.77Å; R131-E222 IonicContact NH1-OE2 3.6Å; R131-E222 IonicContact NH2-OE1 2.94Å; R131-E222 PolarHBondContact NH2-OE1 2.83Å; R131-E222 VanDerWaalsContact NH2-OE1 3.11Å; R131-E222 IonicContact NH2-OE2 3.29Å; R131-E222 PolarHBondContact NH2-OE2 2.82Å; R131-E222 VanDerWaalsContact NH2-OE2 3.12Å; E222-L224 PolarHBondContact OE2-N 3.39Å; E222-K236 WeakPolarHBondContact O-CE 3.35Å; E222-K236 PolarHBondContact O-NZ 3.05Å
223P93.4Very high93.1Very high49 Ų4949.1 Ų49.132%0.31826%0.26SS..SBendcis-77.5145.8-4.330.9-31.8000111.8I225 A234P223-I225 PolarHBondContact O-N 3.22Å; P223-A234 HydrophobicContact CG-CB 4.25Å; P223-A234 WeakPolarHBondContact CG-O 3.29Å
224L95.4Very high92.3Very high11 Ų1141.2 Ų41.26%0.05822%0.224CC..PPolyproline II helixtrans-56.2131.4164.6172.370.2000110.3E127 W130 R131 H134 N207 E222 N229E127-L224 HydrophobicContact CB-CD2 4.24Å; E127-L224 HydrophobicContact CG-CD2 4.31Å; W130-L224 HydrophobicContact CB-CD1 3.65Å; W130-L224 HydrophobicContact CB-CD2 4.01Å; W130-L224 HydrophobicContact CB-CG 4.41Å; R131-L224 HydrophobicContact CG-CD2 4.2Å; H134-L224 VanDerWaalsContact CE1-CD1 3.48Å; H134-L224 WeakPolarHBondContact CE1-CD1 3.35Å; N207-L224 WeakPolarHBondContact OD1-CD1 3.43Å; E222-L224 PolarHBondContact OE2-N 3.39Å; L224-N229 PolarHBondContact O-ND2 2.72Å
225I94.9Very high91.6Very high4 Ų434 Ų342%0.02119%0.192CC..  trans-106.4131.7171.9-59.6163.2000108.9F179 A181 I205 N207 P223 N229 K230 A234F179-I225 HydrophobicContact CE2-CD1 3.98Å; F179-I225 HydrophobicContact CE2-CG1 4.5Å; F179-I225 HydrophobicContact CE2-CG2 4.19Å; A181-I225 HydrophobicContact CB-CG2 4.31Å; I205-I225 HydrophobicContact CG2-CD1 4Å; N207-I225 PolarHBondContact ND2-O 2.9Å; N207-I225 PolarHBondContact OD1-N 3.49Å; N207-I225 PolarHBondContact OD1-O 2.92Å; P223-I225 PolarHBondContact O-N 3.22Å; I225-N229 WeakPolarHBondContact CA-OD1 3.45Å; I225-K230 HydrophobicContact CG2-CG 4.02Å; I225-A234 HydrophobicContact CG1-CB 4Å
226H93Very high90.7Very high0 Ų039.8 Ų39.80%021%0.214CC..  trans-141173.917564.683.8000110.4M126 W130 Y228 N229M126-H226 HydrophobicContact CB-CB 4.28Å; W130-H226 VanDerWaalsContact CD1-CB 3.44Å; H226-Y228 PolarHBondContact ND1-N 3.49Å; H226-Y228 PolarHBondContact O-N 2.84Å; H226-N229 PolarHBondContact CD2-ND2 3.41Å; H226-N229 VanDerWaalsContact CD2-ND2 3.29Å; H226-N229 PolarHBondContact CD2-OD1 3.28Å; H226-N229 PolarHBondContact N-OD1 3.4Å; H226-N229 VanDerWaalsContact NE2-CG 3.3Å; H226-N229 PolarHBondContact NE2-ND2 3.21Å; H226-N229 PolarHBondContact O-N 3.3Å; H226-N229 VanDerWaalsContact O-N 3.13Å; H226-N229 PolarHBondContact O-OD1 3.09Å; H226-N229 VanDerWaalsContact O-OD1 3.05Å
227T88.8Confident89.8Confident22 Ų2241.5 Ų41.514%0.13523%0.227CC..THydrogen-bonded Turntrans-52.1-23.9-172.5-46.60000115.1E112 T257E112-T227 WeakPolarHBondContact OE1-CB 3.47Å; E112-T227 PolarHBondContact OE1-OG1 3.15Å; T227-T257 HydrophobicContact CG2-CG2 4.41Å
228Y88.3Confident89Confident50 Ų5046 Ų4620%0.19625%0.246CC..THydrogen-bonded Turntrans-1120.3-174.5-51-54.8000115E112 I119 K122 M126 H226E112-Y228 HydrophobicContact CG-CE2 4.43Å; E112-Y228 WeakPolarHBondContact CG-OH 3.5Å; E112-Y228 PolarHBondContact O-OH 3.22Å; I119-Y228 HydrophobicContact CG2-CD1 4.13Å; I119-Y228 HydrophobicContact CG2-CG 3.99Å; K122-Y228 HydrophobicContact CB-CD2 4.21Å; K122-Y228 HydrophobicContact CB-CE2 3.82Å; K122-Y228 HydrophobicContact CD-CE2 3.95Å; M126-Y228 HydrophobicContact CG-CD2 3.75Å; M126-Y228 HydrophobicContact CG-CE2 3.66Å; M126-Y228 HydrophobicContact SD-CE2 4.31Å; H226-Y228 PolarHBondContact ND1-N 3.49Å; H226-Y228 PolarHBondContact O-N 2.84Å
229N90Very high88.2Confident27 Ų2748.7 Ų48.714%0.14426%0.256CS..  trans-125.922.4179.580.2-12.7000113.3L224 I225 H226 N231L224-N229 PolarHBondContact O-ND2 2.72Å; I225-N229 WeakPolarHBondContact CA-OD1 3.45Å; H226-N229 PolarHBondContact CD2-ND2 3.41Å; H226-N229 VanDerWaalsContact CD2-ND2 3.29Å; H226-N229 PolarHBondContact CD2-OD1 3.28Å; H226-N229 PolarHBondContact N-OD1 3.4Å; H226-N229 VanDerWaalsContact NE2-CG 3.3Å; H226-N229 PolarHBondContact NE2-ND2 3.21Å; H226-N229 PolarHBondContact O-N 3.3Å; H226-N229 VanDerWaalsContact O-N 3.13Å; H226-N229 PolarHBondContact O-OD1 3.09Å; H226-N229 VanDerWaalsContact O-OD1 3.05Å; N229-N231 PolarHBondContact O-N 2.76Å; N229-N231 PolarHBondContact O-ND2 2.83Å
230K88.5Confident87.3Confident12 Ų1253 Ų535%0.05228%0.275CS..  trans-68.475.3170.2-66.1-172.9178.2-173.90110.6D63 F179 A181 I225 D260 M263 D264D63-K230 IonicContact OD1-NZ 3.87Å; D63-K230 PolarHBondContact OD1-NZ 3.08Å; F179-K230 HydrophobicContact CE1-CB 4.19Å; F179-K230 HydrophobicContact CZ-CB 4.19Å; F179-K230 PolarHBondContact O-NZ 2.86Å; A181-K230 VanDerWaalsContact N-CE 3.32Å; I225-K230 HydrophobicContact CG2-CG 4.02Å; K230-D260 WeakPolarHBondContact CD-OD1 3.44Å; K230-D260 WeakPolarHBondContact CE-OD1 3.27Å; K230-D260 IonicContact NZ-OD1 2.84Å; K230-D260 PolarHBondContact NZ-OD1 2.71Å; K230-M263 HydrophobicContact CB-CG 3.88Å; K230-M263 HydrophobicContact CD-CE 4.48Å; K230-M263 HydrophobicContact CD-CG 4.17Å; K230-M263 HydrophobicContact CD-SD 4.28Å; K230-M263 VanDerWaalsContact O-CA 3.27Å; K230-M263 WeakPolarHBondContact O-CA 3.41Å; K230-D264 PolarHBondContact O-N 3.29Å
231N86.3Confident86.6Confident42 Ų4251 Ų5123%0.22527%0.267CS..BIsolated β-bridgetrans-131.8168.5-179.563.154.2000110.4F179 N229 S233 A234 D264F179-N231 WeakPolarHBondContact CZ-O 3.46Å; N229-N231 PolarHBondContact O-N 2.76Å; N229-N231 PolarHBondContact O-ND2 2.83Å; N231-S233 PolarHBondContact O-N 3.01Å; N231-S233 VanDerWaalsContact O-N 3.1Å; N231-S233 WeakPolarHBondContact OD1-CA 3.25Å; N231-S233 VanDerWaalsContact OD1-CB 3.3Å; N231-S233 WeakPolarHBondContact OD1-CB 3.48Å; N231-S233 PolarHBondContact OD1-N 2.99Å; N231-S233 PolarHBondContact OD1-OG 3.19Å; N231-A234 WeakPolarHBondContact O-CB 3.36Å; N231-A234 PolarHBondContact O-N 3.43Å; N231-A234 PolarHBondContact OD1-N 2.93Å; N231-D264 CarbonylContact C-O 3.55Å; N231-D264 VanDerWaalsContact C-O 3.31Å; N231-D264 VanDerWaalsContact CA-O 3.29Å; N231-D264 WeakPolarHBondContact CA-O 3.35Å; N231-D264 HydrophobicContact CB-CB 3.7Å
232I80.1Confident85.8Confident24 Ų2448.7 Ų48.712%0.12326%0.257CS..G310 helixtrans-59.3-27.7-175.2-168.254.4000113A234 I235 K238 F241 M242 D264I232-A234 PolarHBondContact O-N 3.08Å; I232-I235 HydrophobicContact CD1-CD1 3.93Å; I232-I235 PolarHBondContact O-N 3.07Å; I232-K238 HydrophobicContact CD1-CB 4.09Å; I232-K238 HydrophobicContact CG1-CB 4.3Å; I232-F241 HydrophobicContact CD1-CD1 3.52Å; I232-F241 HydrophobicContact CD1-CE1 3.95Å; I232-M242 HydrophobicContact CD1-CG 3.72Å; I232-M242 HydrophobicContact CD1-SD 4.23Å; I232-M242 HydrophobicContact CG1-CG 4.02Å; I232-M242 HydrophobicContact CG1-SD 3.86Å; I232-D264 PolarHBondContact N-O 3.37Å
233S81.8Confident84.9Confident91 Ų9145.4 Ų45.464%0.63625%0.25SS*.G310 helixtrans-69.6-22.4178.182.30000113N231 I235N231-S233 PolarHBondContact O-N 3.01Å; N231-S233 VanDerWaalsContact O-N 3.1Å; N231-S233 WeakPolarHBondContact OD1-CA 3.25Å; N231-S233 VanDerWaalsContact OD1-CB 3.3Å; N231-S233 WeakPolarHBondContact OD1-CB 3.48Å; N231-S233 PolarHBondContact OD1-N 2.99Å; N231-S233 PolarHBondContact OD1-OG 3.19Å; S233-I235 PolarHBondContact O-N 3.18Å
234A81.2Confident84Confident5 Ų544.5 Ų44.54%0.04125%0.246CC..G310 helixtrans-78.8-7176.100000113.3F179 P223 I225 N231 I232F179-A234 HydrophobicContact CZ-CB 4.26Å; P223-A234 HydrophobicContact CG-CB 4.25Å; P223-A234 WeakPolarHBondContact CG-O 3.29Å; I225-A234 HydrophobicContact CG1-CB 4Å; N231-A234 WeakPolarHBondContact O-CB 3.36Å; N231-A234 PolarHBondContact O-N 3.43Å; N231-A234 PolarHBondContact OD1-N 2.93Å; I232-A234 PolarHBondContact O-N 3.08Å
235I83Confident83.1Confident7 Ų744.3 Ų44.34%0.03625%0.245CC..  trans-92.9111.5-178.9-55.6-176.1000109.6F179 I205 I232 S233 C237 K238 F241F179-I235 HydrophobicContact CD1-CD1 4.38Å; F179-I235 HydrophobicContact CE1-CD1 3.94Å; F179-I235 HydrophobicContact CE1-CG1 4.19Å; F179-I235 HydrophobicContact CE2-CG1 4.34Å; F179-I235 HydrophobicContact CZ-CD1 4.14Å; F179-I235 HydrophobicContact CZ-CG1 3.87Å; I205-I235 HydrophobicContact CD1-CD1 3.76Å; I205-I235 HydrophobicContact CD1-CG1 4.01Å; I205-I235 HydrophobicContact CD1-CG2 3.82Å; I205-I235 HydrophobicContact CG2-CG1 4.26Å; I232-I235 HydrophobicContact CD1-CD1 3.93Å; I232-I235 PolarHBondContact O-N 3.07Å; S233-I235 PolarHBondContact O-N 3.18Å; I235-C237 VanDerWaalsContact C-N 3.35Å; I235-C237 PolarHBondContact O-N 3.37Å; I235-K238 HydrophobicContact CB-CB 4.32Å; I235-K238 HydrophobicContact CG2-CB 4.48Å; I235-K238 WeakPolarHBondContact O-CB 3.44Å; I235-K238 PolarHBondContact O-N 3.42Å; I235-F241 HydrophobicContact CD1-CD1 3.36Å; I235-F241 HydrophobicContact CD1-CE1 3.38Å; I235-F241 HydrophobicContact CD1-CG 4Å; I235-F241 HydrophobicContact CD1-CZ 4.07Å; I235-F241 HydrophobicContact CG2-CB 4.17Å; I235-F241 HydrophobicContact CG2-CG 4.5Å
236K78.9Confident81.9Confident133 Ų13351.7 Ų51.758%0.57828%0.276SS*.THydrogen-bonded Turntrans-55-46.3178.5-74.1-174.2175.9-175.50113.5F221 E222 K238F221-K236 VanDerWaalsContact CB-NZ 3.34Å; E222-K236 WeakPolarHBondContact O-CE 3.35Å; E222-K236 PolarHBondContact O-NZ 3.05Å; K236-K238 VanDerWaalsContact C-N 3.3Å; K236-K238 PolarHBondContact O-N 3.47Å
237C79.2Confident80.7Confident76 Ų7656.1 Ų56.151%0.51430%0.3SS..THydrogen-bonded Turntrans-98.149.2179.4-56.90000110.3I235 D239 D240 F241I235-C237 VanDerWaalsContact C-N 3.35Å; I235-C237 PolarHBondContact O-N 3.37Å; C237-D239 VanDerWaalsContact C-N 3.27Å; C237-D239 PolarHBondContact O-N 3.19Å; C237-D240 HydrophobicContact CB-CB 4.41Å; C237-D240 PolarHBondContact O-N 3.04Å; C237-F241 PolarHBondContact O-N 2.77Å; C237-F241 VanDerWaalsContact O-N 3.1Å
238K81.1Confident79.6Confident99 Ų9956.3 Ų56.343%0.4330%0.298SS..Hα-helixtrans-58.3-37.6-174.862.8-176.6-175.5-179.60112.4I232 I235 K236 D240 F241 M242I232-K238 HydrophobicContact CD1-CB 4.09Å; I232-K238 HydrophobicContact CG1-CB 4.3Å; I235-K238 HydrophobicContact CB-CB 4.32Å; I235-K238 HydrophobicContact CG2-CB 4.48Å; I235-K238 WeakPolarHBondContact O-CB 3.44Å; I235-K238 PolarHBondContact O-N 3.42Å; K236-K238 VanDerWaalsContact C-N 3.3Å; K236-K238 PolarHBondContact O-N 3.47Å; K238-D240 PolarHBondContact O-N 3.4Å; K238-F241 PolarHBondContact O-N 2.92Å; K238-M242 WeakPolarHBondContact O-CB 3.35Å; K238-M242 VanDerWaalsContact O-CG 3.24Å; K238-M242 WeakPolarHBondContact O-CG 3.1Å; K238-M242 PolarHBondContact O-N 3.04Å
239D81.3Confident78.9Confident118 Ų11860.6 Ų60.663%0.63131%0.314SS*.Hα-helixtrans-66.2-39.7-177.6-63.2-30.9000111.4C237 G243C237-D239 VanDerWaalsContact C-N 3.27Å; C237-D239 PolarHBondContact O-N 3.19Å; D239-G243 WeakPolarHBondContact O-CA 3.47Å; D239-G243 PolarHBondContact O-N 3.48Å
240D80.6Confident78.6Confident111 Ų11159.4 Ų59.459%0.59431%0.308SS*.Hα-helixtrans-68.3-36.1174.7-69.8-10.6000112.2C237 K238 S244C237-D240 HydrophobicContact CB-CB 4.41Å; C237-D240 PolarHBondContact O-N 3.04Å; K238-D240 PolarHBondContact O-N 3.4Å; D240-S244 PolarHBondContact O-N 3.25Å; D240-S244 VanDerWaalsContact O-N 3.16Å
241F81.6Confident78.6Confident0 Ų058.9 Ų58.90%031%0.306CS..Hα-helixtrans-70-47.2175.4-179.4-113.5000112.6V61 T177 I232 I235 C237 K238 G243 S244 L245 L265V61-F241 HydrophobicContact CG2-CZ 4.22Å; T177-F241 HydrophobicContact CG2-CD2 4.36Å; T177-F241 HydrophobicContact CG2-CE2 3.71Å; T177-F241 HydrophobicContact CG2-CZ 4.37Å; T177-F241 WeakPolarHBondContact OG1-CE2 3.36Å; I232-F241 HydrophobicContact CD1-CD1 3.52Å; I232-F241 HydrophobicContact CD1-CE1 3.95Å; I235-F241 HydrophobicContact CD1-CD1 3.36Å; I235-F241 HydrophobicContact CD1-CE1 3.38Å; I235-F241 HydrophobicContact CD1-CG 4Å; I235-F241 HydrophobicContact CD1-CZ 4.07Å; I235-F241 HydrophobicContact CG2-CB 4.17Å; I235-F241 HydrophobicContact CG2-CG 4.5Å; C237-F241 PolarHBondContact O-N 2.77Å; C237-F241 VanDerWaalsContact O-N 3.1Å; K238-F241 PolarHBondContact O-N 2.92Å; F241-G243 PolarHBondContact O-N 2.97Å; F241-S244 PolarHBondContact O-N 3.08Å; F241-S244 PolarHBondContact O-OG 3.21Å; F241-L245 HydrophobicContact CD1-CD1 3.72Å; F241-L245 HydrophobicContact CD2-CD1 4.31Å; F241-L245 HydrophobicContact CE1-CD1 3.28Å; F241-L245 HydrophobicContact CE1-CG 4.47Å; F241-L245 HydrophobicContact CE2-CD1 3.91Å; F241-L245 HydrophobicContact CE2-CG 4.35Å; F241-L245 HydrophobicContact CG-CD1 4.24Å; F241-L245 HydrophobicContact CZ-CD1 3.41Å; F241-L245 VanDerWaalsContact CZ-CD1 3.41Å; F241-L245 HydrophobicContact CZ-CG 4.29Å; F241-L245 WeakPolarHBondContact O-CG 3.33Å; F241-L245 PolarHBondContact O-N 2.9Å; F241-L245 VanDerWaalsContact O-N 3.08Å; F241-L265 HydrophobicContact CE1-CD2 4.41Å; F241-L265 HydrophobicContact CZ-CD2 4.28Å
242M79.5Confident78.8Confident40 Ų4057 Ų5720%0.19730%0.296CS..Hα-helixtrans-65.2-32.3174-67.6-175.677.300111I232 K238 L245 K246I232-M242 HydrophobicContact CD1-CG 3.72Å; I232-M242 HydrophobicContact CD1-SD 4.23Å; I232-M242 HydrophobicContact CG1-CG 4.02Å; I232-M242 HydrophobicContact CG1-SD 3.86Å; K238-M242 WeakPolarHBondContact O-CB 3.35Å; K238-M242 VanDerWaalsContact O-CG 3.24Å; K238-M242 WeakPolarHBondContact O-CG 3.1Å; K238-M242 PolarHBondContact O-N 3.04Å; M242-L245 PolarHBondContact O-N 3.34Å; M242-K246 VanDerWaalsContact O-CB 3.23Å; M242-K246 WeakPolarHBondContact O-CB 3.48Å; M242-K246 WeakPolarHBondContact O-CG 3.39Å; M242-K246 PolarHBondContact O-N 3.38Å
243G77.1Confident79.5Confident32 Ų3256 Ų5633%0.3329%0.29SS..Hα-helixtrans-60.8-48.6174.100000111.7D239 F241 L245 K246 D247D239-G243 WeakPolarHBondContact O-CA 3.47Å; D239-G243 PolarHBondContact O-N 3.48Å; F241-G243 PolarHBondContact O-N 2.97Å; G243-L245 VanDerWaalsContact C-N 3.32Å; G243-L245 PolarHBondContact O-N 3.09Å; G243-K246 PolarHBondContact O-N 2.76Å; G243-D247 PolarHBondContact O-N 2.97Å
244S73.8Confident80.2Confident31 Ų3151.6 Ų51.622%0.21726%0.26CS..Hα-helixtrans-62.1-41.2176.357.80000112.3D240 F241D240-S244 PolarHBondContact O-N 3.25Å; D240-S244 VanDerWaalsContact O-N 3.16Å; F241-S244 PolarHBondContact O-N 3.08Å; F241-S244 PolarHBondContact O-OG 3.21Å
245L75.7Confident80.9Confident7 Ų751.4 Ų51.44%0.03726%0.258CS..Hα-helixtrans-72.3-36.2179.1-70.3169.4000113.4D59 F241 M242 G243 D247 R248 V251 L265 I267D59-L245 HydrophobicContact CB-CD2 3.7Å; D59-L245 WeakPolarHBondContact OD2-CA 3.14Å; D59-L245 WeakPolarHBondContact OD2-CD2 3.47Å; F241-L245 HydrophobicContact CD1-CD1 3.72Å; F241-L245 HydrophobicContact CD2-CD1 4.31Å; F241-L245 HydrophobicContact CE1-CD1 3.28Å; F241-L245 HydrophobicContact CE1-CG 4.47Å; F241-L245 HydrophobicContact CE2-CD1 3.91Å; F241-L245 HydrophobicContact CE2-CG 4.35Å; F241-L245 HydrophobicContact CG-CD1 4.24Å; F241-L245 HydrophobicContact CZ-CD1 3.41Å; F241-L245 VanDerWaalsContact CZ-CD1 3.41Å; F241-L245 HydrophobicContact CZ-CG 4.29Å; F241-L245 WeakPolarHBondContact O-CG 3.33Å; F241-L245 PolarHBondContact O-N 2.9Å; F241-L245 VanDerWaalsContact O-N 3.08Å; M242-L245 PolarHBondContact O-N 3.34Å; G243-L245 VanDerWaalsContact C-N 3.32Å; G243-L245 PolarHBondContact O-N 3.09Å; L245-D247 VanDerWaalsContact C-N 3.27Å; L245-D247 PolarHBondContact O-N 3.47Å; L245-R248 CarbonylContact O-C 3.33Å; L245-R248 PolarHBondContact O-N 3Å; L245-V251 HydrophobicContact CD2-CG2 3.77Å; L245-L265 HydrophobicContact CD1-CB 4.3Å; L245-I267 HydrophobicContact CB-CD1 4.03Å; L245-I267 HydrophobicContact CD1-CD1 4.1Å; L245-I267 HydrophobicContact CD2-CD1 4.15Å; L245-I267 HydrophobicContact CG-CD1 4.34Å
246K70.6Confident81.5Confident158 Ų15852 Ų5269%0.68726%0.262SS*.Hα-helixtrans-68-32.5178.3-80.2175.7179.5178.80111.6M242 G243 R248M242-K246 VanDerWaalsContact O-CB 3.23Å; M242-K246 WeakPolarHBondContact O-CB 3.48Å; M242-K246 WeakPolarHBondContact O-CG 3.39Å; M242-K246 PolarHBondContact O-N 3.38Å; G243-K246 PolarHBondContact O-N 2.76Å; K246-R248 PolarHBondContact O-N 3.19Å
247D67.2Low82.2Confident93 Ų9347.1 Ų47.150%0.49724%0.243SC..THydrogen-bonded Turntrans-73.3-16.6177.1-83.3-17000113.2R49 G243 L245R49-D247 PolarHBondContact NH1-O 2.89Å; G243-D247 PolarHBondContact O-N 2.97Å; L245-D247 VanDerWaalsContact C-N 3.27Å; L245-D247 PolarHBondContact O-N 3.47Å
248R66.4Low82.7Confident27 Ų2746.5 Ų46.510%0.10223%0.234CC..  trans-126.4110.4-174.8-69.4178-174.9-1108.3110.1C56 A57 D59 G173 P175 L245 K246 N250C56-R248 PolarHBondContact O-NH1 2.93Å; A57-R248 CarbonylContact O-C 3.53Å; D59-R248 VanDerWaalsContact CG-CD 3.44Å; D59-R248 WeakPolarHBondContact OD1-CD 3.34Å; D59-R248 IonicContact OD1-NE 3.85Å; D59-R248 WeakPolarHBondContact OD2-CB 3.34Å; D59-R248 WeakPolarHBondContact OD2-CD 3.48Å; G173-R248 PolarHBondContact O-NH1 2.81Å; G173-R248 PolarHBondContact O-NH2 3.11Å; P175-R248 VanDerWaalsContact CD-CZ 3.42Å; L245-R248 CarbonylContact O-C 3.33Å; L245-R248 PolarHBondContact O-N 3Å; K246-R248 PolarHBondContact O-N 3.19Å; R248-N250 PolarHBondContact O-N 3.16Å; R248-N250 VanDerWaalsContact O-N 3.11Å
249R72.4Confident83Confident139 Ų13942.7 Ų42.753%0.52522%0.223SC..  trans-66-22.3-168.9-63.6-175.1-174.6173.83.2113.8E41 A57 R272E41-R249 VanDerWaalsContact CD-CD 3.42Å; E41-R249 WeakPolarHBondContact OE1-CD 3.18Å; E41-R249 IonicContact OE1-CZ 3.84Å; E41-R249 IonicContact OE1-NE 3.93Å; E41-R249 IonicContact OE1-NH1 2.92Å; E41-R249 PolarHBondContact OE1-NH1 3.32Å; E41-R249 WeakPolarHBondContact OE2-CB 3.34Å; E41-R249 VanDerWaalsContact OE2-CD 3.31Å; E41-R249 WeakPolarHBondContact OE2-CD 3.42Å; A57-R249 PolarHBondContact O-N 3.19Å; R249-R272 VanDerWaalsContact O-CB 3.28Å; R249-R272 WeakPolarHBondContact O-CB 3.47Å; R249-R272 WeakPolarHBondContact O-CD 3.38Å; R249-R272 WeakPolarHBondContact O-CG 3.26Å
250N84.2Confident83.5Confident2 Ų237.1 Ų37.11%0.01119%0.193CC..EExtended strand (participates in β ladder)trans-118.7135.8-163.8-69.4-23.9000111.6L38 E41 A57 I58 D59 R248L38-N250 HydrophobicContact CD2-CB 3.49Å; L38-N250 VanDerWaalsContact CD2-CB 3.49Å; L38-N250 VanDerWaalsContact CD2-OD1 3.22Å; L38-N250 WeakPolarHBondContact CD2-OD1 3.24Å; L38-N250 PolarHBondContact O-ND2 3.08Å; E41-N250 PolarHBondContact OE2-OD1 2.94Å; E41-N250 VanDerWaalsContact OE2-OD1 3.13Å; A57-N250 WeakPolarHBondContact O-CB 3.45Å; A57-N250 PolarHBondContact O-N 2.9Å; A57-N250 VanDerWaalsContact O-N 3.14Å; I58-N250 CarbonylContact C-O 3.58Å; I58-N250 VanDerWaalsContact CA-O 3.31Å; I58-N250 WeakPolarHBondContact CA-O 3.49Å; I58-N250 HydrophobicContact CG1-CB 4.11Å; D59-N250 PolarHBondContact N-O 3.17Å; R248-N250 PolarHBondContact O-N 3.16Å; R248-N250 VanDerWaalsContact O-N 3.11Å
251V88.1Confident83.9Confident2 Ų232 Ų321%0.01217%0.166CC..EExtended strand (participates in β ladder)trans-123.4135.7177.8-177.40000110.1D59 V61 L245 L265 I267 R272 I273 L274D59-V251 HydrophobicContact CB-CG2 4.49Å; D59-V251 CarbonylContact O-C 3.58Å; D59-V251 VanDerWaalsContact O-CA 3.3Å; D59-V251 WeakPolarHBondContact O-CA 3.46Å; V61-V251 HydrophobicContact CB-CG1 4.48Å; V61-V251 HydrophobicContact CG2-CG1 4.03Å; L245-V251 HydrophobicContact CD2-CG2 3.77Å; V251-L265 HydrophobicContact CG1-CD1 3.73Å; V251-I267 HydrophobicContact CG2-CD1 3.75Å; V251-R272 PolarHBondContact N-O 3.27Å; V251-I273 HydrophobicContact CB-CG1 4.28Å; V251-I273 HydrophobicContact CB-CG2 4.39Å; V251-I273 HydrophobicContact CG1-CG2 4.43Å; V251-I273 CarbonylContact O-C 3.55Å; V251-I273 VanDerWaalsContact O-CA 3.31Å; V251-I273 WeakPolarHBondContact O-CA 3.37Å; V251-L274 PolarHBondContact O-N 2.83Å
252V91.4Very high84.1Confident2 Ų240.7 Ų40.71%0.01220%0.199CC..EExtended strand (participates in β ladder)trans-107.4122.5163-175.70000108.8I58 D59 V60 V61 F254 L274 L311I58-V252 HydrophobicContact CG2-CG2 3.96Å; D59-V252 PolarHBondContact O-N 2.8Å; V60-V252 WeakPolarHBondContact CA-O 3.23Å; V61-V252 PolarHBondContact N-O 2.79Å; V252-F254 HydrophobicContact CG1-CE1 3.9Å; V252-F254 HydrophobicContact CG1-CE2 3.93Å; V252-F254 HydrophobicContact CG1-CZ 3.52Å; V252-L274 CarbonylContact C-O 3.59Å; V252-L274 WeakPolarHBondContact CA-O 3.43Å; V252-L274 HydrophobicContact CG1-CD2 4.3Å; V252-L274 HydrophobicContact CG2-CB 4.21Å; V252-L274 HydrophobicContact CG2-CD2 4.19Å; V252-L311 HydrophobicContact CB-CD1 4.43Å; V252-L311 HydrophobicContact CG2-CD1 3.6Å
253L94.2Very high84.2Confident2 Ų239.3 Ų39.31%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-107.8127.9-178.2-176.3151.7000110.1V61 D260 M263 I273 L274 K275 I276 Y294V61-L253 CarbonylContact O-C 3.53Å; V61-L253 VanDerWaalsContact O-CA 3.25Å; V61-L253 WeakPolarHBondContact O-CA 3.43Å; L253-D260 WeakPolarHBondContact CD2-O 3.35Å; L253-M263 HydrophobicContact CD1-CB 3.93Å; L253-M263 HydrophobicContact CD1-CG 4.47Å; L253-M263 HydrophobicContact CG-CE 4.49Å; L253-I273 HydrophobicContact CB-CG2 3.93Å; L253-L274 PolarHBondContact N-O 3.25Å; L253-K275 HydrophobicContact CB-CG 4.4Å; L253-K275 HydrophobicContact CD2-CG 4.5Å; L253-I276 PolarHBondContact O-N 3.11Å; L253-Y294 HydrophobicContact CD2-CE1 4.2Å
254F96.6Very high84.3Confident0 Ų041.3 Ų41.30%020%0.195CC..EExtended strand (participates in β ladder)trans-113.7136.3173.5-58.5-68.6000110.9V60 V61 S62 D63 T67 F165 V252 I276 F278 F304 A307V60-F254 HydrophobicContact CG1-CD2 3.82Å; V60-F254 HydrophobicContact CG1-CE2 3.57Å; V61-F254 PolarHBondContact O-N 3.41Å; S62-F254 WeakPolarHBondContact CA-O 3.46Å; S62-F254 WeakPolarHBondContact OG-CB 3.38Å; D63-F254 PolarHBondContact N-O 3.32Å; T67-F254 HydrophobicContact CG2-CB 3.7Å; F165-F254 HydrophobicContact CZ-CE2 4.13Å; V252-F254 HydrophobicContact CG1-CE1 3.9Å; V252-F254 HydrophobicContact CG1-CE2 3.93Å; V252-F254 HydrophobicContact CG1-CZ 3.52Å; F254-I276 WeakPolarHBondContact CA-O 3.35Å; F254-I276 HydrophobicContact CD1-CB 3.8Å; F254-I276 HydrophobicContact CD1-CG1 4.46Å; F254-I276 HydrophobicContact CD1-CG2 4.32Å; F254-I276 HydrophobicContact CE1-CB 3.94Å; F254-I276 HydrophobicContact CE1-CD1 3.87Å; F254-I276 HydrophobicContact CE1-CG1 4.16Å; F254-I276 HydrophobicContact CE1-CG2 4.41Å; F254-F278 HydrophobicContact CB-CE2 4.35Å; F254-F278 HydrophobicContact CD1-CE2 4.2Å; F254-F304 HydrophobicContact CD1-CE2 4.27Å; F254-F304 HydrophobicContact CD1-CZ 4.35Å; F254-F304 HydrophobicContact CD2-CE2 4.5Å; F254-F304 HydrophobicContact CD2-CZ 4.17Å; F254-F304 HydrophobicContact CE1-CE2 4.4Å; F254-F304 HydrophobicContact CE1-CZ 4.11Å; F254-F304 AromaticContact CE2-CZ 3.88Å; F254-F304 HydrophobicContact CE2-CZ 3.88Å; F254-F304 HydrophobicContact CG-CE2 4.34Å; F254-F304 HydrophobicContact CG-CZ 4.4Å; F254-F304 AromaticContact CZ-CZ 3.86Å; F254-F304 HydrophobicContact CZ-CZ 3.86Å; F254-A307 HydrophobicContact CD1-CB 4.42Å; F254-A307 HydrophobicContact CE1-CB 3.67Å; F254-A307 HydrophobicContact CZ-CB 4.31Å
255G96.5Very high84.5Confident0 Ų040 Ų400%019%0.186CC..EExtended strand (participates in β ladder)trans-160.5161.6176.200000112.5T67 I276 G277 F278T67-G255 VanDerWaalsContact OG1-C 3.25Å; T67-G255 WeakPolarHBondContact OG1-CA 3.3Å; G255-I276 PolarHBondContact N-O 3.42Å; G255-G277 CarbonylContact O-C 3.42Å; G255-G277 VanDerWaalsContact O-CA 3.25Å; G255-G277 WeakPolarHBondContact O-CA 3.44Å; G255-F278 PolarHBondContact O-N 2.99Å
256D96.3Very high84.6Confident21 Ų2141.2 Ų41.211%0.11220%0.2CC..SBendtrans-114.4-13.6176.677-58000112.3F66 T67 D260 F278 N280 Y290F66-D256 HydrophobicContact CB-CB 4.38Å; F66-D256 WeakPolarHBondContact CB-OD2 3.37Å; T67-D256 WeakPolarHBondContact OG1-CB 3.31Å; T67-D256 PolarHBondContact OG1-N 2.95Å; T67-D256 PolarHBondContact OG1-OD1 3.21Å; D256-D260 PolarHBondContact N-OD2 3.3Å; D256-F278 WeakPolarHBondContact CA-O 3.42Å; D256-F278 HydrophobicContact CB-CB 4.19Å; D256-N280 WeakPolarHBondContact CB-ND2 3.41Å; D256-Y290 VanDerWaalsContact O-CE1 3.29Å; D256-Y290 WeakPolarHBondContact O-CE1 3.26Å; D256-Y290 PolarHBondContact O-OH 3.21Å
257T93.2Very high84.9Confident30 Ų3036 Ų3618%0.18418%0.179CC..SBendtrans-105.7164.1176.975.60000112T227 G259 D260 Y294T227-T257 HydrophobicContact CG2-CG2 4.41Å; T257-G259 PolarHBondContact O-N 2.87Å; T257-G259 PolarHBondContact OG1-N 3.32Å; T257-D260 WeakPolarHBondContact CB-OD2 3.44Å; T257-D260 PolarHBondContact N-OD2 3.43Å; T257-D260 PolarHBondContact O-N 3.25Å; T257-D260 PolarHBondContact OG1-N 2.85Å; T257-D260 VanDerWaalsContact OG1-N 3.15Å; T257-D260 PolarHBondContact OG1-OD2 3.02Å; T257-Y294 PolarHBondContact O-OH 2.82Å
258L89.7Confident84.9Confident63 Ų6339.7 Ų39.733%0.3320%0.198SC..THydrogen-bonded Turntrans-68.7-20.8169.2-66.2176.7000112.9Y290 A293L258-Y290 HydrophobicContact CD1-CE2 4.45Å; L258-Y290 HydrophobicContact CD2-CD2 3.67Å; L258-Y290 HydrophobicContact CD2-CE2 3.78Å; L258-Y290 HydrophobicContact CD2-CG 4.12Å; L258-Y290 HydrophobicContact CG-CD2 4.22Å; L258-Y290 HydrophobicContact CG-CE2 3.83Å; L258-A293 HydrophobicContact CD2-CB 3.81Å
259G87.4Confident85.1Confident19 Ų1942.4 Ų42.420%0.19621%0.212CC..THydrogen-bonded Turntrans-68.2-38.8174.700000111.6T257 A261 R262 M263T257-G259 PolarHBondContact O-N 2.87Å; T257-G259 PolarHBondContact OG1-N 3.32Å; G259-A261 VanDerWaalsContact C-N 3.33Å; G259-A261 PolarHBondContact O-N 2.91Å; G259-R262 CarbonylContact O-C 3.6Å; G259-R262 WeakPolarHBondContact O-CA 3.2Å; G259-R262 PolarHBondContact O-N 3.4Å; G259-M263 PolarHBondContact O-N 3.17Å
260D91.9Very high85.2Confident1 Ų139.5 Ų39.51%0.00521%0.213CC..G310 helixtrans-65.8-34.5-179.6-60.4-49.4000112.8K230 L253 D256 T257 R262 M263 Y294K230-D260 WeakPolarHBondContact CD-OD1 3.44Å; K230-D260 WeakPolarHBondContact CE-OD1 3.27Å; K230-D260 IonicContact NZ-OD1 2.84Å; K230-D260 PolarHBondContact NZ-OD1 2.71Å; L253-D260 WeakPolarHBondContact CD2-O 3.35Å; D256-D260 PolarHBondContact N-OD2 3.3Å; T257-D260 WeakPolarHBondContact CB-OD2 3.44Å; T257-D260 PolarHBondContact N-OD2 3.43Å; T257-D260 PolarHBondContact O-N 3.25Å; T257-D260 PolarHBondContact OG1-N 2.85Å; T257-D260 VanDerWaalsContact OG1-N 3.15Å; T257-D260 PolarHBondContact OG1-OD2 3.02Å; D260-R262 PolarHBondContact O-N 3.08Å; D260-M263 HydrophobicContact CB-CE 3.54Å; D260-M263 WeakPolarHBondContact O-CG 3.38Å; D260-M263 PolarHBondContact O-N 3.04Å; D260-Y294 WeakPolarHBondContact CB-OH 3.34Å
261A88.7Confident84.7Confident2 Ų244.3 Ų44.32%0.01724%0.236CC..G310 helixtrans-58.9-18.3172.900000113G259 K275 A293 Y294G259-A261 VanDerWaalsContact C-N 3.33Å; G259-A261 PolarHBondContact O-N 2.91Å; A261-K275 WeakPolarHBondContact O-CE 3.27Å; A261-K275 PolarHBondContact O-NZ 3.18Å; A261-A293 HydrophobicContact CB-CB 3.8Å; A261-Y294 HydrophobicContact CB-CD1 4.37Å; A261-Y294 HydrophobicContact CB-CD2 4.24Å; A261-Y294 HydrophobicContact CB-CE1 3.91Å; A261-Y294 HydrophobicContact CB-CE2 3.77Å; A261-Y294 PolarHBondContact N-OH 3.13Å; A261-Y294 VanDerWaalsContact N-OH 3.16Å
262R84.4Confident84.4Confident184 Ų18447.6 Ų47.669%0.69425%0.248SC*.G310 helixtrans-112.318.4180-56.1-176.5-177.3-172.50.5112.3G259 D260 D264G259-R262 CarbonylContact O-C 3.6Å; G259-R262 WeakPolarHBondContact O-CA 3.2Å; G259-R262 PolarHBondContact O-N 3.4Å; D260-R262 PolarHBondContact O-N 3.08Å; R262-D264 PolarHBondContact O-N 3.16Å
263M82.8Confident84.3Confident10 Ų1048.1 Ų48.15%0.04925%0.25CS..  trans-54.6117.7171.4-70.5-174.6-129.500108.8V61 D63 F179 K230 L253 G259 D260 L265V61-M263 HydrophobicContact CG1-SD 4.12Å; D63-M263 HydrophobicContact CB-CE 4.18Å; F179-M263 HydrophobicContact CB-SD 4.07Å; F179-M263 HydrophobicContact CD1-SD 3.92Å; F179-M263 HydrophobicContact CG-SD 4.29Å; K230-M263 HydrophobicContact CB-CG 3.88Å; K230-M263 HydrophobicContact CD-CE 4.48Å; K230-M263 HydrophobicContact CD-CG 4.17Å; K230-M263 HydrophobicContact CD-SD 4.28Å; K230-M263 VanDerWaalsContact O-CA 3.27Å; K230-M263 WeakPolarHBondContact O-CA 3.41Å; L253-M263 HydrophobicContact CD1-CB 3.93Å; L253-M263 HydrophobicContact CD1-CG 4.47Å; L253-M263 HydrophobicContact CG-CE 4.49Å; G259-M263 PolarHBondContact O-N 3.17Å; D260-M263 HydrophobicContact CB-CE 3.54Å; D260-M263 WeakPolarHBondContact O-CG 3.38Å; D260-M263 PolarHBondContact O-N 3.04Å; M263-L265 HydrophobicContact CB-CD2 4.06Å; M263-L265 PolarHBondContact O-N 3.13Å
264D79.3Confident84.1Confident75 Ų7548 Ų4840%0.40125%0.25SS..BIsolated β-bridgetrans-83.9106.6176.5167.322.5000107.9K230 N231 I232 R262 G266K230-D264 PolarHBondContact O-N 3.29Å; N231-D264 CarbonylContact C-O 3.55Å; N231-D264 VanDerWaalsContact C-O 3.31Å; N231-D264 VanDerWaalsContact CA-O 3.29Å; N231-D264 WeakPolarHBondContact CA-O 3.35Å; N231-D264 HydrophobicContact CB-CB 3.7Å; I232-D264 PolarHBondContact N-O 3.37Å; R262-D264 PolarHBondContact O-N 3.16Å; D264-G266 VanDerWaalsContact C-N 3.31Å; D264-G266 WeakPolarHBondContact OD1-CA 3.35Å; D264-G266 PolarHBondContact OD1-N 3.05Å
265L78.3Confident84Confident4 Ų450.2 Ų50.22%0.02126%0.26CS..  trans-90.64.5-179.6-53.4-178.6000112.4V61 F241 L245 V251 M263 I267V61-L265 HydrophobicContact CB-CD1 4.34Å; V61-L265 HydrophobicContact CG1-CD2 3.96Å; V61-L265 HydrophobicContact CG2-CD1 3.94Å; V61-L265 HydrophobicContact CG2-CD2 4.31Å; F241-L265 HydrophobicContact CE1-CD2 4.41Å; F241-L265 HydrophobicContact CZ-CD2 4.28Å; L245-L265 HydrophobicContact CD1-CB 4.3Å; V251-L265 HydrophobicContact CG1-CD1 3.73Å; M263-L265 HydrophobicContact CB-CD2 4.06Å; M263-L265 PolarHBondContact O-N 3.13Å; L265-I267 VanDerWaalsContact C-N 3.29Å; L265-I267 HydrophobicContact CB-CD1 4.23Å; L265-I267 HydrophobicContact CB-CG1 4.27Å
266G77.6Confident84Confident32 Ų3250.3 Ų50.333%0.3326%0.26SS..SBendtrans70.324.6-172.800000113.4D264D264-G266 VanDerWaalsContact C-N 3.31Å; D264-G266 WeakPolarHBondContact OD1-CA 3.35Å; D264-G266 PolarHBondContact OD1-N 3.05Å
267I76.1Confident84.1Confident47 Ų4749.3 Ų49.324%0.24126%0.255CS..  trans-119.8124.4178.2-48.8171.8000107.9L245 V251 L265 E269L245-I267 HydrophobicContact CB-CD1 4.03Å; L245-I267 HydrophobicContact CD1-CD1 4.1Å; L245-I267 HydrophobicContact CD2-CD1 4.15Å; L245-I267 HydrophobicContact CG-CD1 4.34Å; V251-I267 HydrophobicContact CG2-CD1 3.75Å; L265-I267 VanDerWaalsContact C-N 3.29Å; L265-I267 HydrophobicContact CB-CD1 4.23Å; L265-I267 HydrophobicContact CB-CG1 4.27Å; I267-E269 VanDerWaalsContact C-N 3.28Å; I267-E269 HydrophobicContact CG2-CB 4.4Å; I267-E269 PolarHBondContact O-N 3.48Å
268D67.5Low84.3Confident171 Ų17147.9 Ų47.991%0.91425%0.246SC*.  trans-87.67.9-172.1-131.3-3.1000113.7
269E71.5Confident84.6Confident84 Ų8445 Ų4539%0.39323%0.231SC..  trans-116.481.9-169-65.2-171.3-133.700111.2I267 E271 R272I267-E269 VanDerWaalsContact C-N 3.28Å; I267-E269 HydrophobicContact CG2-CB 4.4Å; I267-E269 PolarHBondContact O-N 3.48Å; E269-E271 PolarHBondContact O-N 3.29Å; E269-R272 HydrophobicContact CB-CB 4.36Å; E269-R272 HydrophobicContact CB-CG 4.27Å; E269-R272 WeakPolarHBondContact O-CB 3.32Å; E269-R272 PolarHBondContact O-N 2.95Å; E269-R272 IonicContact OE1-CZ 3.18Å; E269-R272 IonicContact OE1-NH1 2.73Å; E269-R272 PolarHBondContact OE1-NH1 2.87Å; E269-R272 IonicContact OE1-NH2 3.26Å; E269-R272 PolarHBondContact OE1-NH2 3.08Å; E269-R272 WeakPolarHBondContact OE2-CD 3.48Å; E269-R272 IonicContact OE2-CZ 2.75Å; E269-R272 IonicContact OE2-NE 3.01Å; E269-R272 PolarHBondContact OE2-NE 3.36Å; E269-R272 IonicContact OE2-NH1 3.11Å; E269-R272 PolarHBondContact OE2-NH1 3.46Å; E269-R272 VanDerWaalsContact OE2-NH1 3.11Å; E269-R272 IonicContact OE2-NH2 2.89Å; E269-R272 PolarHBondContact OE2-NH2 3.25Å
270S72.7Confident85Confident78 Ų7844.9 Ų44.955%0.54523%0.226SC..G310 helixtrans-56.9-23.8179.266.40000114R272 I273S270-R272 VanDerWaalsContact C-N 3.26Å; S270-R272 PolarHBondContact O-N 2.82Å; S270-I273 PolarHBondContact O-N 3.09Å
271E75Confident85Confident103 Ų10348.8 Ų48.848%0.48124%0.244SC..G310 helixtrans-69.4-22.3176.6-57.3-164.2116.100113.1R37 E269 I273R37-E271 IonicContact CZ-OE1 3.38Å; R37-E271 IonicContact CZ-OE2 3.71Å; R37-E271 IonicContact NH1-OE1 3Å; R37-E271 PolarHBondContact NH1-OE1 3.24Å; R37-E271 IonicContact NH1-OE2 2.7Å; R37-E271 PolarHBondContact NH1-OE2 3.42Å; R37-E271 IonicContact NH2-OE1 2.85Å; R37-E271 PolarHBondContact NH2-OE1 3.44Å; R37-E271 IonicContact NH2-OE2 3.93Å; E269-E271 PolarHBondContact O-N 3.29Å; E271-I273 VanDerWaalsContact C-N 3.35Å
272R80.9Confident85.1Confident71 Ų7153 Ų5327%0.26827%0.269SS..G310 helixtrans-86.8-4.8175.8-77.1171.3168.2159.327.6113.7R249 V251 E269 S270R249-R272 VanDerWaalsContact O-CB 3.28Å; R249-R272 WeakPolarHBondContact O-CB 3.47Å; R249-R272 WeakPolarHBondContact O-CD 3.38Å; R249-R272 WeakPolarHBondContact O-CG 3.26Å; V251-R272 PolarHBondContact N-O 3.27Å; E269-R272 HydrophobicContact CB-CB 4.36Å; E269-R272 HydrophobicContact CB-CG 4.27Å; E269-R272 WeakPolarHBondContact O-CB 3.32Å; E269-R272 PolarHBondContact O-N 2.95Å; E269-R272 IonicContact OE1-CZ 3.18Å; E269-R272 IonicContact OE1-NH1 2.73Å; E269-R272 PolarHBondContact OE1-NH1 2.87Å; E269-R272 IonicContact OE1-NH2 3.26Å; E269-R272 PolarHBondContact OE1-NH2 3.08Å; E269-R272 WeakPolarHBondContact OE2-CD 3.48Å; E269-R272 IonicContact OE2-CZ 2.75Å; E269-R272 IonicContact OE2-NE 3.01Å; E269-R272 PolarHBondContact OE2-NE 3.36Å; E269-R272 IonicContact OE2-NH1 3.11Å; E269-R272 PolarHBondContact OE2-NH1 3.46Å; E269-R272 VanDerWaalsContact OE2-NH1 3.11Å; E269-R272 IonicContact OE2-NH2 2.89Å; E269-R272 PolarHBondContact OE2-NH2 3.25Å; S270-R272 VanDerWaalsContact C-N 3.26Å; S270-R272 PolarHBondContact O-N 2.82Å
273I88.9Confident85.4Confident13 Ų1346.1 Ų46.17%0.06725%0.248CC..EExtended strand (participates in β ladder)trans-110.6108.8-174.9-49.8178.5000109.5K34 V251 L253 S270 E271 K275K34-I273 WeakPolarHBondContact CD-O 3.29Å; K34-I273 WeakPolarHBondContact CE-O 3.47Å; K34-I273 PolarHBondContact NZ-O 3.28Å; V251-I273 HydrophobicContact CB-CG1 4.28Å; V251-I273 HydrophobicContact CB-CG2 4.39Å; V251-I273 HydrophobicContact CG1-CG2 4.43Å; V251-I273 CarbonylContact O-C 3.55Å; V251-I273 VanDerWaalsContact O-CA 3.31Å; V251-I273 WeakPolarHBondContact O-CA 3.37Å; L253-I273 HydrophobicContact CB-CG2 3.93Å; S270-I273 PolarHBondContact O-N 3.09Å; E271-I273 VanDerWaalsContact C-N 3.35Å; I273-K275 HydrophobicContact CG2-CG 3.93Å
274L91.7Very high85.8Confident1 Ų153.2 Ų53.21%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-82.3119.1167.617866.7000109.4L31 K34 L35 L38 V251 V252 L253 I276 D295 L310 L314L31-L274 HydrophobicContact CD1-CD1 3.58Å; K34-L274 HydrophobicContact CD-CB 4.36Å; K34-L274 HydrophobicContact CD-CD1 4.23Å; L35-L274 HydrophobicContact CD2-CD1 3.97Å; L35-L274 HydrophobicContact CD2-CD2 3.62Å; L35-L274 HydrophobicContact CD2-CG 4.39Å; L38-L274 HydrophobicContact CD1-CB 3.92Å; L38-L274 HydrophobicContact CD1-CD2 4.42Å; V251-L274 PolarHBondContact O-N 2.83Å; V252-L274 CarbonylContact C-O 3.59Å; V252-L274 WeakPolarHBondContact CA-O 3.43Å; V252-L274 HydrophobicContact CG1-CD2 4.3Å; V252-L274 HydrophobicContact CG2-CB 4.21Å; V252-L274 HydrophobicContact CG2-CD2 4.19Å; L253-L274 PolarHBondContact N-O 3.25Å; L274-I276 HydrophobicContact CD2-CD1 4.32Å; L274-I276 HydrophobicContact CG-CG1 4.29Å; L274-D295 HydrophobicContact CD1-CB 3.96Å; L274-L310 HydrophobicContact CD1-CD2 4.48Å; L274-L310 HydrophobicContact CD2-CD2 3.9Å; L274-L310 HydrophobicContact CD2-CG 4.37Å; L274-L314 HydrophobicContact CD2-CD1 4.3Å
275K94.4Very high86.4Confident46 Ų4652.5 Ų52.520%0.230%0.296CS..EExtended strand (participates in β ladder)trans-106.5119.6-177.2-58-178.4-176.4-176.70110.2L253 A261 I273 Y294 D295 V296L253-K275 HydrophobicContact CB-CG 4.4Å; L253-K275 HydrophobicContact CD2-CG 4.5Å; A261-K275 WeakPolarHBondContact O-CE 3.27Å; A261-K275 PolarHBondContact O-NZ 3.18Å; I273-K275 HydrophobicContact CG2-CG 3.93Å; K275-Y294 HydrophobicContact CB-CD1 3.72Å; K275-Y294 HydrophobicContact CB-CE1 4.39Å; K275-D295 PolarHBondContact N-OD2 3.22Å; K275-D295 PolarHBondContact O-N 2.99Å; K275-V296 PolarHBondContact O-N 3.09Å
276I96.5Very high87.1Confident2 Ų255.7 Ų55.71%0.0131%0.312CS..EExtended strand (participates in β ladder)trans-115.4119.5176.1-51.1-166.8000109.3L253 F254 G255 L274 Y294 V296 I298 A307 L310L253-I276 PolarHBondContact O-N 3.11Å; F254-I276 WeakPolarHBondContact CA-O 3.35Å; F254-I276 HydrophobicContact CD1-CB 3.8Å; F254-I276 HydrophobicContact CD1-CG1 4.46Å; F254-I276 HydrophobicContact CD1-CG2 4.32Å; F254-I276 HydrophobicContact CE1-CB 3.94Å; F254-I276 HydrophobicContact CE1-CD1 3.87Å; F254-I276 HydrophobicContact CE1-CG1 4.16Å; F254-I276 HydrophobicContact CE1-CG2 4.41Å; G255-I276 PolarHBondContact N-O 3.42Å; L274-I276 HydrophobicContact CD2-CD1 4.32Å; L274-I276 HydrophobicContact CG-CG1 4.29Å; I276-Y294 VanDerWaalsContact C-CD1 3.44Å; I276-V296 CarbonylContact C-O 3.58Å; I276-V296 WeakPolarHBondContact CA-O 3.45Å; I276-V296 HydrophobicContact CG1-CB 4.39Å; I276-V296 HydrophobicContact CG2-CB 4.4Å; I276-I298 HydrophobicContact CG2-CD1 3.65Å; I276-I298 HydrophobicContact CG2-CG1 4.09Å; I276-A307 HydrophobicContact CD1-CB 4.4Å; I276-A307 HydrophobicContact CG2-CB 4.47Å; I276-L310 HydrophobicContact CD1-CD2 3.65Å
277G97.2Very high87.9Confident0 Ų057.2 Ų57.20%031%0.309CS..EExtended strand (participates in β ladder)trans-106.9134.1-174.700000112.5G255 Y294 V296 V297 I298G255-G277 CarbonylContact O-C 3.42Å; G255-G277 VanDerWaalsContact O-CA 3.25Å; G255-G277 WeakPolarHBondContact O-CA 3.44Å; G277-Y294 VanDerWaalsContact CA-CE1 3.49Å; G277-V296 PolarHBondContact N-O 3.33Å; G277-V297 CarbonylContact O-C 3.51Å; G277-V297 WeakPolarHBondContact O-CA 3.47Å; G277-I298 PolarHBondContact O-N 3.42Å
278F97.9Very high88.8Confident0 Ų060 Ų600%032%0.322CS..EExtended strand (participates in β ladder)trans-98103.9173.9-65.4-79.2000110.9T67 R159 F254 G255 D256 N280 I298 D303 F304 A307T67-F278 HydrophobicContact CG2-CD2 3.89Å; T67-F278 HydrophobicContact CG2-CE2 3.98Å; R159-F278 VanDerWaalsContact NH1-CD1 3.29Å; F254-F278 HydrophobicContact CB-CE2 4.35Å; F254-F278 HydrophobicContact CD1-CE2 4.2Å; G255-F278 PolarHBondContact O-N 2.99Å; D256-F278 WeakPolarHBondContact CA-O 3.42Å; D256-F278 HydrophobicContact CB-CB 4.19Å; F278-N280 PolarHBondContact O-N 2.87Å; F278-I298 CarbonylContact C-O 3.54Å; F278-I298 WeakPolarHBondContact CA-O 3.25Å; F278-I298 HydrophobicContact CD1-CB 3.92Å; F278-I298 HydrophobicContact CD1-CD1 4.42Å; F278-I298 HydrophobicContact CD1-CG2 4.19Å; F278-I298 HydrophobicContact CE1-CB 4.08Å; F278-I298 HydrophobicContact CE1-CD1 3.74Å; F278-I298 HydrophobicContact CE1-CG1 4.43Å; F278-I298 HydrophobicContact CE1-CG2 4.21Å; F278-I298 HydrophobicContact CZ-CD1 4.22Å; F278-D303 VanDerWaalsContact CE1-O 3.24Å; F278-D303 WeakPolarHBondContact CE1-O 3.44Å; F278-F304 HydrophobicContact CE1-CD2 4.45Å; F278-F304 HydrophobicContact CE2-CD2 4.25Å; F278-F304 HydrophobicContact CE2-CE2 4.19Å; F278-F304 AromaticContact CZ-CD2 3.61Å; F278-F304 HydrophobicContact CZ-CD2 3.61Å; F278-F304 AromaticContact CZ-CE2 3.89Å; F278-F304 HydrophobicContact CZ-CE2 3.89Å; F278-A307 HydrophobicContact CZ-CB 4.32Å
279L97Very high90.1Very high2 Ų253.9 Ų53.91%0.0129%0.292CS..  trans-88.886.8178179.853000110.3H281 V283 M286 K287 Y290 V297 I298 S299L279-H281 WeakPolarHBondContact CD1-O 3.49Å; L279-V283 HydrophobicContact CD2-CB 4.36Å; L279-V283 HydrophobicContact CD2-CG1 4.06Å; L279-V283 HydrophobicContact CG-CG2 4.28Å; L279-M286 HydrophobicContact CD1-CB 3.76Å; L279-M286 HydrophobicContact CD2-CB 4.45Å; L279-K287 HydrophobicContact CD2-CB 4.14Å; L279-Y290 HydrophobicContact CB-CD1 4.01Å; L279-Y290 HydrophobicContact CB-CE1 4.29Å; L279-Y290 HydrophobicContact CB-CG 4.43Å; L279-Y290 HydrophobicContact CD1-CD1 4.21Å; L279-Y290 HydrophobicContact CD1-CD2 4.02Å; L279-Y290 HydrophobicContact CD1-CE1 4.06Å; L279-Y290 HydrophobicContact CD1-CE2 3.87Å; L279-Y290 HydrophobicContact CD1-CG 4.19Å; L279-Y290 HydrophobicContact CD2-CG 4.37Å; L279-V297 HydrophobicContact CB-CG1 3.62Å; L279-V297 HydrophobicContact CD2-CG1 4.25Å; L279-I298 PolarHBondContact N-O 3.35Å; L279-S299 WeakPolarHBondContact O-CA 3.47Å
280N95.6Very high91.3Very high17 Ų1750.8 Ų50.89%0.09128%0.277CS..  trans-75.6-27.1-168.4-72.7-46.1000115.8F66 Y71 R159 D256 F278F66-N280 WeakPolarHBondContact CB-ND2 3.47Å; F66-N280 PolarHBondContact O-ND2 3.37Å; Y71-N280 HydrophobicContact CD1-CB 4.14Å; Y71-N280 HydrophobicContact CD2-CB 3.88Å; Y71-N280 HydrophobicContact CG-CB 3.62Å; R159-N280 PolarHBondContact NH2-OD1 3.38Å; D256-N280 WeakPolarHBondContact CB-ND2 3.41Å; F278-N280 PolarHBondContact O-N 2.87Å
281H91Very high92.4Very high82 Ų8248.2 Ų48.238%0.3826%0.256SS..SBendtrans-150.9167.2-176.768.580.4000110.9Y71 L279 V283Y71-H281 HydrophobicContact CE1-CB 4.25Å; Y71-H281 AromaticContact CE2-CD2 3.87Å; L279-H281 WeakPolarHBondContact CD1-O 3.49Å; H281-V283 PolarHBondContact O-N 3.08Å; H281-V283 VanDerWaalsContact O-N 3.16Å
282T90.1Very high93.4Very high90 Ų9049.8 Ų49.855%0.55226%0.258SS*.  trans5141.1178-400000112.6D284 G285 M286T282-D284 PolarHBondContact O-N 3.49Å; T282-G285 PolarHBondContact O-N 3.33Å; T282-G285 VanDerWaalsContact O-N 3.09Å; T282-M286 PolarHBondContact O-N 3.28Å; T282-M286 VanDerWaalsContact O-N 3.08Å
283V91.3Very high94Very high41 Ų4147.9 Ų47.925%0.24826%0.257CS..Hα-helixtrans-51.8-52.6-170.5178.80000111.2F24 L279 H281 G285 M286 K287F24-V283 HydrophobicContact CE2-CG1 3.79Å; F24-V283 HydrophobicContact CZ-CG1 4.03Å; L279-V283 HydrophobicContact CD2-CB 4.36Å; L279-V283 HydrophobicContact CD2-CG1 4.06Å; L279-V283 HydrophobicContact CG-CG2 4.28Å; H281-V283 PolarHBondContact O-N 3.08Å; H281-V283 VanDerWaalsContact O-N 3.16Å; V283-G285 VanDerWaalsContact C-N 3.28Å; V283-G285 PolarHBondContact O-N 2.67Å; V283-M286 PolarHBondContact O-N 3.4Å; V283-K287 WeakPolarHBondContact O-CA 3.48Å; V283-K287 WeakPolarHBondContact O-CB 3.41Å; V283-K287 PolarHBondContact O-N 2.85Å
284D91Very high94.3Very high158 Ų15847.6 Ų47.685%0.84526%0.255SS*.Hα-helixtrans-61.5-34.8-176.5-62.4-30.6000113.3T282T282-D284 PolarHBondContact O-N 3.49Å
285G92.2Very high94.4Very high60 Ų6049 Ų4962%0.61926%0.263SS*.Hα-helixtrans-81-25.3-178.500000114.2T282 V283T282-G285 PolarHBondContact O-N 3.33Å; T282-G285 VanDerWaalsContact O-N 3.09Å; V283-G285 VanDerWaalsContact C-N 3.28Å; V283-G285 PolarHBondContact O-N 2.67Å
286M93.4Very high94.5Very high71 Ų7146.9 Ų46.935%0.3525%0.254SS..Hα-helixtrans-112.7-16.3-172.5-72.5-63.3-145.400114.1L279 T282 V283 E288 S289 Y290L279-M286 HydrophobicContact CD1-CB 3.76Å; L279-M286 HydrophobicContact CD2-CB 4.45Å; T282-M286 PolarHBondContact O-N 3.28Å; T282-M286 VanDerWaalsContact O-N 3.08Å; V283-M286 PolarHBondContact O-N 3.4Å; M286-E288 VanDerWaalsContact C-N 3.31Å; M286-E288 PolarHBondContact O-N 3.39Å; M286-S289 PolarHBondContact O-N 3.08Å; M286-Y290 HydrophobicContact CB-CD2 3.99Å; M286-Y290 HydrophobicContact CB-CE2 3.98Å; M286-Y290 WeakPolarHBondContact O-CD2 3.4Å; M286-Y290 PolarHBondContact O-N 2.66Å
287K94.6Very high94.6Very high64 Ų6446.8 Ų46.828%0.27825%0.253SS..Hα-helixtrans-47.7-50.4-175.2171.7175.4173176.30112.8F24 L279 V283 S289 Y290 M291F24-K287 HydrophobicContact CD1-CD 4.05Å; F24-K287 HydrophobicContact CD2-CD 4.11Å; F24-K287 HydrophobicContact CD2-CG 4.14Å; F24-K287 HydrophobicContact CE1-CD 4.08Å; F24-K287 VanDerWaalsContact CE1-NZ 3.28Å; F24-K287 HydrophobicContact CE2-CD 4.12Å; F24-K287 HydrophobicContact CE2-CG 4.44Å; F24-K287 HydrophobicContact CG-CD 4.06Å; F24-K287 HydrophobicContact CG-CG 4.29Å; F24-K287 HydrophobicContact CZ-CD 4.11Å; L279-K287 HydrophobicContact CD2-CB 4.14Å; V283-K287 WeakPolarHBondContact O-CA 3.48Å; V283-K287 WeakPolarHBondContact O-CB 3.41Å; V283-K287 PolarHBondContact O-N 2.85Å; K287-S289 VanDerWaalsContact C-N 3.35Å; K287-S289 PolarHBondContact O-N 2.79Å; K287-Y290 PolarHBondContact O-N 3Å; K287-M291 HydrophobicContact CD-SD 4.18Å; K287-M291 WeakPolarHBondContact CE-SD 3.17Å; K287-M291 HydrophobicContact CG-CG 4.23Å; K287-M291 HydrophobicContact CG-SD 3.59Å; K287-M291 VanDerWaalsContact CG-SD 3.59Å; K287-M291 WeakPolarHBondContact O-CB 3.46Å; K287-M291 VanDerWaalsContact O-CG 3.29Å; K287-M291 WeakPolarHBondContact O-CG 3.43Å; K287-M291 PolarHBondContact O-N 3.39Å
288E95.3Very high94.6Very high107 Ų10746.8 Ų46.850%0.525%0.253SS..Hα-helixtrans-61.5-40.3-179.3-77.3-59.314100113.1M286 R292M286-E288 VanDerWaalsContact C-N 3.31Å; M286-E288 PolarHBondContact O-N 3.39Å; E288-R292 WeakPolarHBondContact O-CG 3.31Å; E288-R292 PolarHBondContact O-N 2.66Å; E288-R292 VanDerWaalsContact O-N 3.15Å; E288-R292 PolarHBondContact O-NH1 3.02Å; E288-R292 IonicContact OE2-NH1 3.45Å
289S94.3Very high94.5Very high41 Ų4147.3 Ų47.329%0.28726%0.257SS..Hα-helixtrans-68.5-37.8177.2-66.90000111.8M286 K287 R292 A293M286-S289 PolarHBondContact O-N 3.08Å; K287-S289 VanDerWaalsContact C-N 3.35Å; K287-S289 PolarHBondContact O-N 2.79Å; S289-R292 PolarHBondContact O-N 2.8Å; S289-R292 PolarHBondContact OG-NH2 3.25Å; S289-R292 VanDerWaalsContact OG-NH2 3.08Å; S289-A293 PolarHBondContact O-N 2.93Å
290Y96.5Very high94.3Very high20 Ų2049.5 Ų49.58%0.07827%0.269CS..Hα-helixtrans-69.6-44.4176.5-84.4-116.1000111.6D256 L258 L279 M286 K287 R292 A293 Y294 V297D256-Y290 VanDerWaalsContact O-CE1 3.29Å; D256-Y290 WeakPolarHBondContact O-CE1 3.26Å; D256-Y290 PolarHBondContact O-OH 3.21Å; L258-Y290 HydrophobicContact CD1-CE2 4.45Å; L258-Y290 HydrophobicContact CD2-CD2 3.67Å; L258-Y290 HydrophobicContact CD2-CE2 3.78Å; L258-Y290 HydrophobicContact CD2-CG 4.12Å; L258-Y290 HydrophobicContact CG-CD2 4.22Å; L258-Y290 HydrophobicContact CG-CE2 3.83Å; L279-Y290 HydrophobicContact CB-CD1 4.01Å; L279-Y290 HydrophobicContact CB-CE1 4.29Å; L279-Y290 HydrophobicContact CB-CG 4.43Å; L279-Y290 HydrophobicContact CD1-CD1 4.21Å; L279-Y290 HydrophobicContact CD1-CD2 4.02Å; L279-Y290 HydrophobicContact CD1-CE1 4.06Å; L279-Y290 HydrophobicContact CD1-CE2 3.87Å; L279-Y290 HydrophobicContact CD1-CG 4.19Å; L279-Y290 HydrophobicContact CD2-CG 4.37Å; M286-Y290 HydrophobicContact CB-CD2 3.99Å; M286-Y290 HydrophobicContact CB-CE2 3.98Å; M286-Y290 WeakPolarHBondContact O-CD2 3.4Å; M286-Y290 PolarHBondContact O-N 2.66Å; K287-Y290 PolarHBondContact O-N 3Å; Y290-R292 PolarHBondContact O-N 3.25Å; Y290-A293 PolarHBondContact O-N 2.67Å; Y290-Y294 AromaticContact CD1-CD2 3.98Å; Y290-Y294 HydrophobicContact CD1-CD2 3.98Å; Y290-Y294 AromaticContact CD1-CE2 3.95Å; Y290-Y294 HydrophobicContact CD1-CE2 3.95Å; Y290-Y294 HydrophobicContact CE1-CE2 4.21Å; Y290-Y294 HydrophobicContact CG-CD2 4.5Å; Y290-Y294 PolarHBondContact O-N 3.2Å; Y290-V297 HydrophobicContact CD1-CG1 4.45Å
291M96.2Very high94Very high23 Ų2350.7 Ų50.711%0.11328%0.277CS..Hα-helixtrans-61.6-22.8175.7-76.1-179.971.500112.8F24 I25 R26 K287 V297F24-M291 HydrophobicContact CB-CE 4.25Å; F24-M291 HydrophobicContact CB-CG 3.88Å; F24-M291 HydrophobicContact CB-SD 3.65Å; F24-M291 HydrophobicContact CG-SD 4.43Å; I25-M291 WeakPolarHBondContact O-CE 3.48Å; R26-M291 VanDerWaalsContact CA-CE 3.5Å; R26-M291 HydrophobicContact CB-CB 4.11Å; R26-M291 HydrophobicContact CB-CE 4Å; R26-M291 VanDerWaalsContact CB-O 3.28Å; R26-M291 WeakPolarHBondContact CB-O 3.14Å; R26-M291 WeakPolarHBondContact CD-O 3.31Å; K287-M291 HydrophobicContact CD-SD 4.18Å; K287-M291 WeakPolarHBondContact CE-SD 3.17Å; K287-M291 HydrophobicContact CG-CG 4.23Å; K287-M291 HydrophobicContact CG-SD 3.59Å; K287-M291 VanDerWaalsContact CG-SD 3.59Å; K287-M291 WeakPolarHBondContact O-CB 3.46Å; K287-M291 VanDerWaalsContact O-CG 3.29Å; K287-M291 WeakPolarHBondContact O-CG 3.43Å; K287-M291 PolarHBondContact O-N 3.39Å; M291-V297 HydrophobicContact CG-CG2 4.09Å
292R95.1Very high94.1Very high137 Ų13748.3 Ų48.352%0.51727%0.27SS..Hα-helixtrans-79.9-29.1170.4-75-173.6-71.1-882.1113.9E288 S289 Y290E288-R292 WeakPolarHBondContact O-CG 3.31Å; E288-R292 PolarHBondContact O-N 2.66Å; E288-R292 VanDerWaalsContact O-N 3.15Å; E288-R292 PolarHBondContact O-NH1 3.02Å; E288-R292 IonicContact OE2-NH1 3.45Å; S289-R292 PolarHBondContact O-N 2.8Å; S289-R292 PolarHBondContact OG-NH2 3.25Å; S289-R292 VanDerWaalsContact OG-NH2 3.08Å; Y290-R292 PolarHBondContact O-N 3.25Å
293A93.6Very high94.2Very high31 Ų3145 Ų4526%0.25625%0.249SC..Hα-helixtrans-95.2-29.5-173.100000113.4L258 A261 S289 Y290L258-A293 HydrophobicContact CD2-CB 3.81Å; A261-A293 HydrophobicContact CB-CB 3.8Å; S289-A293 PolarHBondContact O-N 2.93Å; Y290-A293 PolarHBondContact O-N 2.67Å
294Y95.6Very high94.5Very high6 Ų643 Ų432%0.02424%0.237CC..  trans-117.2149.9-176.3-69.7-81000111.3L253 T257 D260 A261 K275 I276 G277 Y290L253-Y294 HydrophobicContact CD2-CE1 4.2Å; T257-Y294 PolarHBondContact O-OH 2.82Å; D260-Y294 WeakPolarHBondContact CB-OH 3.34Å; A261-Y294 HydrophobicContact CB-CD1 4.37Å; A261-Y294 HydrophobicContact CB-CD2 4.24Å; A261-Y294 HydrophobicContact CB-CE1 3.91Å; A261-Y294 HydrophobicContact CB-CE2 3.77Å; A261-Y294 PolarHBondContact N-OH 3.13Å; A261-Y294 VanDerWaalsContact N-OH 3.16Å; K275-Y294 HydrophobicContact CB-CD1 3.72Å; K275-Y294 HydrophobicContact CB-CE1 4.39Å; I276-Y294 VanDerWaalsContact C-CD1 3.44Å; G277-Y294 VanDerWaalsContact CA-CE1 3.49Å; Y290-Y294 AromaticContact CD1-CD2 3.98Å; Y290-Y294 HydrophobicContact CD1-CD2 3.98Å; Y290-Y294 AromaticContact CD1-CE2 3.95Å; Y290-Y294 HydrophobicContact CD1-CE2 3.95Å; Y290-Y294 HydrophobicContact CE1-CE2 4.21Å; Y290-Y294 HydrophobicContact CG-CD2 4.5Å; Y290-Y294 PolarHBondContact O-N 3.2Å
295D94.8Very high94.7Very high31 Ų3139.2 Ų39.217%0.16622%0.217CC..SBendtrans-75.5-38.1174.9-55.9-64.2000110.6L31 K34 L274 K275L31-D295 HydrophobicContact CD1-CB 4.04Å; K34-D295 IonicContact NZ-OD1 2.79Å; K34-D295 PolarHBondContact NZ-OD1 3.17Å; K34-D295 IonicContact NZ-OD2 3.73Å; K34-D295 PolarHBondContact NZ-OD2 3.21Å; L274-D295 HydrophobicContact CD1-CB 3.96Å; K275-D295 PolarHBondContact N-OD2 3.22Å; K275-D295 PolarHBondContact O-N 2.99Å
296V96.4Very high94.8Very high1 Ų136.6 Ų36.61%0.00619%0.189CC..EExtended strand (participates in β ladder)trans-130.5131.4176.1-175.80000109.6I23 I25 L31 K275 I276 G277 I298 L310I23-V296 HydrophobicContact CG2-CG1 4.02Å; I25-V296 HydrophobicContact CG1-CG1 4.4Å; I25-V296 HydrophobicContact CG1-CG2 4.32Å; L31-V296 HydrophobicContact CD1-CG2 3.97Å; L31-V296 HydrophobicContact CD2-CG2 3.7Å; K275-V296 PolarHBondContact O-N 3.09Å; I276-V296 CarbonylContact C-O 3.58Å; I276-V296 WeakPolarHBondContact CA-O 3.45Å; I276-V296 HydrophobicContact CG1-CB 4.39Å; I276-V296 HydrophobicContact CG2-CB 4.4Å; G277-V296 PolarHBondContact N-O 3.33Å; V296-I298 HydrophobicContact CG1-CG1 4.43Å; V296-L310 HydrophobicContact CG2-CD2 3.84Å
297V97.7Very high94.8Very high0 Ų033.3 Ų33.30%017%0.173CC..EExtended strand (participates in β ladder)trans-113.7126.5175-176.50000109.5I23 F24 G277 L279 Y290 M291I23-V297 CarbonylContact C-O 3.51Å; I23-V297 WeakPolarHBondContact CA-O 3.44Å; F24-V297 HydrophobicContact CB-CB 4.19Å; F24-V297 HydrophobicContact CD2-CB 4.23Å; F24-V297 HydrophobicContact CD2-CG1 4.07Å; F24-V297 PolarHBondContact N-O 2.67Å; F24-V297 PolarHBondContact O-N 3.48Å; G277-V297 CarbonylContact O-C 3.51Å; G277-V297 WeakPolarHBondContact O-CA 3.47Å; L279-V297 HydrophobicContact CB-CG1 3.62Å; L279-V297 HydrophobicContact CD2-CG1 4.25Å; Y290-V297 HydrophobicContact CD1-CG1 4.45Å; M291-V297 HydrophobicContact CG-CG2 4.09Å
298I97.5Very high94.6Very high0 Ų030.5 Ų30.50%016%0.161CC..EExtended strand (participates in β ladder)trans-110.1121.5177.5-54176000107.7I23 I276 G277 F278 L279 V296 T306 A307I23-I298 HydrophobicContact CD1-CB 4.16Å; I23-I298 HydrophobicContact CD1-CG1 3.87Å; I23-I298 HydrophobicContact CD1-CG2 3.93Å; I276-I298 HydrophobicContact CG2-CD1 3.65Å; I276-I298 HydrophobicContact CG2-CG1 4.09Å; G277-I298 PolarHBondContact O-N 3.42Å; F278-I298 CarbonylContact C-O 3.54Å; F278-I298 WeakPolarHBondContact CA-O 3.25Å; F278-I298 HydrophobicContact CD1-CB 3.92Å; F278-I298 HydrophobicContact CD1-CD1 4.42Å; F278-I298 HydrophobicContact CD1-CG2 4.19Å; F278-I298 HydrophobicContact CE1-CB 4.08Å; F278-I298 HydrophobicContact CE1-CD1 3.74Å; F278-I298 HydrophobicContact CE1-CG1 4.43Å; F278-I298 HydrophobicContact CE1-CG2 4.21Å; F278-I298 HydrophobicContact CZ-CD1 4.22Å; L279-I298 PolarHBondContact N-O 3.35Å; V296-I298 HydrophobicContact CG1-CG1 4.43Å; I298-T306 HydrophobicContact CD1-CG2 3.92Å; I298-T306 HydrophobicContact CG1-CG2 4.25Å; I298-A307 HydrophobicContact CD1-CB 4.09Å
299S96Very high94.4Very high11 Ų1128.2 Ų28.28%0.07715%0.15CC..  trans-107.12.4-179.258.70000114.7F22 F24 L279 P301F22-S299 VanDerWaalsContact CA-OG 3.29Å; F22-S299 WeakPolarHBondContact CA-OG 3.13Å; F22-S299 WeakPolarHBondContact CB-OG 3.43Å; F22-S299 PolarHBondContact O-N 3.21Å; F22-S299 PolarHBondContact O-OG 3.48Å; F24-S299 VanDerWaalsContact CE2-OG 3.27Å; F24-S299 WeakPolarHBondContact CE2-OG 3.49Å; L279-S299 WeakPolarHBondContact O-CA 3.47Å; S299-P301 WeakPolarHBondContact O-CD 3.48Å
300D93.3Very high94.1Very high48 Ų4826.3 Ų26.326%0.25714%0.137SC..  trans-77.1117.7164.6-174.6-33.7000108.7F22 R159 S302 D303F22-D300 HydrophobicContact CB-CB 4.28Å; F22-D300 HydrophobicContact CG-CB 4.5Å; R159-D300 PolarHBondContact NH1-O 3.31Å; D300-S302 PolarHBondContact O-N 2.73Å; D300-S302 WeakPolarHBondContact OD1-CA 3.2Å; D300-S302 WeakPolarHBondContact OD1-CB 3.49Å; D300-S302 PolarHBondContact OD1-N 2.78Å; D300-S302 PolarHBondContact OD1-OG 2.93Å; D300-D303 HydrophobicContact CB-CB 3.84Å; D300-D303 PolarHBondContact OD1-N 3.31Å
301P87.9Confident93.6Very high42 Ų4225.4 Ų25.427%0.27313%0.134SC..THydrogen-bonded Turntrans-72.1-7.6-176.530.4-36.2000113.9R159 S299R159-P301 PolarHBondContact NH1-O 2.91Å; R159-P301 PolarHBondContact NH2-O 3.18Å; S299-P301 WeakPolarHBondContact O-CD 3.48Å
302S92.4Very high93Very high32 Ų3226.9 Ų26.922%0.22414%0.139CC..THydrogen-bonded Turntrans-107.9-19.1-177.775.80000114R159 N160 D300R159-S302 CarbonylContact C-O 3.55Å; R159-S302 WeakPolarHBondContact CA-O 3.39Å; R159-S302 WeakPolarHBondContact CB-O 3.36Å; N160-S302 WeakPolarHBondContact CB-O 3.47Å; N160-S302 PolarHBondContact N-O 3.4Å; D300-S302 PolarHBondContact O-N 2.73Å; D300-S302 WeakPolarHBondContact OD1-CA 3.2Å; D300-S302 WeakPolarHBondContact OD1-CB 3.49Å; D300-S302 PolarHBondContact OD1-N 2.78Å; D300-S302 PolarHBondContact OD1-OG 2.93Å
303D94.2Very high92.3Very high20 Ų2020.4 Ų20.411%0.10712%0.115CC..BIsolated β-bridgetrans-88128.6-168.4-174.734.8000112.8R159 F278 D300 N305 T306R159-D303 WeakPolarHBondContact CD-O 3.5Å; R159-D303 PolarHBondContact NH1-O 3.37Å; R159-D303 VanDerWaalsContact NH1-O 3.13Å; F278-D303 VanDerWaalsContact CE1-O 3.24Å; F278-D303 WeakPolarHBondContact CE1-O 3.44Å; D300-D303 HydrophobicContact CB-CB 3.84Å; D300-D303 PolarHBondContact OD1-N 3.31Å; D303-N305 WeakPolarHBondContact OD1-CA 3.42Å; D303-N305 VanDerWaalsContact OD1-CB 3.26Å; D303-N305 WeakPolarHBondContact OD1-CB 3.39Å; D303-N305 PolarHBondContact OD1-N 3.09Å; D303-N305 PolarHBondContact OD1-ND2 3.43Å; D303-T306 PolarHBondContact OD1-N 3Å; D303-T306 WeakPolarHBondContact OD2-CB 3.4Å; D303-T306 PolarHBondContact OD2-N 3.32Å; D303-T306 PolarHBondContact OD2-OG1 3.05Å
304F96.7Very high91.4Very high0 Ų019 Ų190%010%0.104CC..  trans-121.2-4.5161.7-162-90000111.5R159 N160 F162 F165 F254 F278 T306 A307 S308R159-F304 HydrophobicContact CB-CB 3.67Å; N160-F304 CarbonylContact O-C 3.54Å; N160-F304 WeakPolarHBondContact O-CA 3.44Å; N160-F304 VanDerWaalsContact O-CB 3.31Å; N160-F304 WeakPolarHBondContact O-CB 3.1Å; N160-F304 PolarHBondContact O-N 2.66Å; F162-F304 HydrophobicContact CB-CB 4.26Å; F162-F304 HydrophobicContact CB-CD1 4.1Å; F162-F304 HydrophobicContact CB-CG 4.07Å; F162-F304 AromaticContact CD2-CD1 3.76Å; F162-F304 HydrophobicContact CD2-CD1 3.76Å; F162-F304 AromaticContact CD2-CD2 3.99Å; F162-F304 HydrophobicContact CD2-CD2 3.99Å; F162-F304 AromaticContact CD2-CE1 3.56Å; F162-F304 HydrophobicContact CD2-CE1 3.56Å; F162-F304 AromaticContact CD2-CE2 3.76Å; F162-F304 HydrophobicContact CD2-CE2 3.76Å; F162-F304 HydrophobicContact CD2-CG 4Å; F162-F304 AromaticContact CD2-CZ 3.56Å; F162-F304 HydrophobicContact CD2-CZ 3.56Å; F162-F304 HydrophobicContact CE2-CE1 4.19Å; F162-F304 HydrophobicContact CE2-CE2 4.2Å; F162-F304 AromaticContact CE2-CZ 3.88Å; F162-F304 HydrophobicContact CE2-CZ 3.88Å; F162-F304 HydrophobicContact CG-CD1 4.44Å; F165-F304 HydrophobicContact CB-CD1 4.25Å; F165-F304 HydrophobicContact CB-CE1 3.97Å; F165-F304 AromaticContact CD1-CE1 3.92Å; F165-F304 HydrophobicContact CD1-CE1 3.92Å; F165-F304 HydrophobicContact CD1-CZ 4.44Å; F165-F304 AromaticContact CD2-CE1 3.84Å; F165-F304 HydrophobicContact CD2-CE1 3.84Å; F165-F304 HydrophobicContact CE1-CE1 4.35Å; F165-F304 HydrophobicContact CE2-CE1 4.2Å; F165-F304 HydrophobicContact CG-CD1 4.41Å; F165-F304 AromaticContact CG-CE1 3.65Å; F165-F304 HydrophobicContact CG-CE1 3.65Å; F165-F304 HydrophobicContact CZ-CE1 4.47Å; F254-F304 HydrophobicContact CD1-CE2 4.27Å; F254-F304 HydrophobicContact CD1-CZ 4.35Å; F254-F304 HydrophobicContact CD2-CE2 4.5Å; F254-F304 HydrophobicContact CD2-CZ 4.17Å; F254-F304 HydrophobicContact CE1-CE2 4.4Å; F254-F304 HydrophobicContact CE1-CZ 4.11Å; F254-F304 AromaticContact CE2-CZ 3.88Å; F254-F304 HydrophobicContact CE2-CZ 3.88Å; F254-F304 HydrophobicContact CG-CE2 4.34Å; F254-F304 HydrophobicContact CG-CZ 4.4Å; F254-F304 AromaticContact CZ-CZ 3.86Å; F254-F304 HydrophobicContact CZ-CZ 3.86Å; F278-F304 HydrophobicContact CE1-CD2 4.45Å; F278-F304 HydrophobicContact CE2-CD2 4.25Å; F278-F304 HydrophobicContact CE2-CE2 4.19Å; F278-F304 AromaticContact CZ-CD2 3.61Å; F278-F304 HydrophobicContact CZ-CD2 3.61Å; F278-F304 AromaticContact CZ-CE2 3.89Å; F278-F304 HydrophobicContact CZ-CE2 3.89Å; F304-T306 VanDerWaalsContact C-N 3.34Å; F304-T306 PolarHBondContact O-N 2.68Å; F304-A307 HydrophobicContact CD1-CB 4.39Å; F304-A307 HydrophobicContact CD2-CB 4.41Å; F304-A307 HydrophobicContact CE1-CB 4.27Å; F304-A307 HydrophobicContact CE2-CB 4.34Å; F304-A307 HydrophobicContact CG-CB 4.42Å; F304-A307 HydrophobicContact CZ-CB 4.25Å; F304-A307 WeakPolarHBondContact O-CB 3.25Å; F304-A307 PolarHBondContact O-N 2.94Å; F304-S308 WeakPolarHBondContact CD1-OG 3.46Å; F304-S308 PolarHBondContact O-N 3.24Å; F304-S308 PolarHBondContact O-OG 3.42Å
305N95.2Very high90.3Very high79 Ų7920.4 Ų20.442%0.42211%0.111SC..Hα-helixtrans-65.4-39.6179.2-63.8-65.3000110.8N160 G161 D303 A307 S308 E309N160-N305 PolarHBondContact O-N 2.78Å; N160-N305 PolarHBondContact O-ND2 3.28Å; G161-N305 VanDerWaalsContact CA-OD1 3.23Å; G161-N305 WeakPolarHBondContact CA-OD1 3.36Å; D303-N305 WeakPolarHBondContact OD1-CA 3.42Å; D303-N305 VanDerWaalsContact OD1-CB 3.26Å; D303-N305 WeakPolarHBondContact OD1-CB 3.39Å; D303-N305 PolarHBondContact OD1-N 3.09Å; D303-N305 PolarHBondContact OD1-ND2 3.43Å; N305-A307 VanDerWaalsContact C-N 3.31Å; N305-A307 PolarHBondContact O-N 3.35Å; N305-S308 CarbonylContact O-C 3.52Å; N305-S308 WeakPolarHBondContact O-CB 3.37Å; N305-S308 PolarHBondContact O-N 2.96Å; N305-S308 VanDerWaalsContact O-N 3.11Å; N305-E309 WeakPolarHBondContact O-CB 3.45Å; N305-E309 PolarHBondContact O-N 3.41Å
306T93.8Very high88.7Confident5 Ų519.6 Ų19.63%0.03111%0.11CC..Hα-helixtrans-59.2-42.8176-64.70000112L17 R20 I23 I298 D303 F304 S308 E309 L310L17-T306 HydrophobicContact CD1-CG2 4.33Å; L17-T306 HydrophobicContact CD2-CG2 3.43Å; L17-T306 VanDerWaalsContact CD2-CG2 3.43Å; R20-T306 PolarHBondContact NH1-OG1 3.11Å; I23-T306 HydrophobicContact CD1-CG2 3.56Å; I23-T306 HydrophobicContact CG1-CG2 4.22Å; I298-T306 HydrophobicContact CD1-CG2 3.92Å; I298-T306 HydrophobicContact CG1-CG2 4.25Å; D303-T306 PolarHBondContact OD1-N 3Å; D303-T306 WeakPolarHBondContact OD2-CB 3.4Å; D303-T306 PolarHBondContact OD2-N 3.32Å; D303-T306 PolarHBondContact OD2-OG1 3.05Å; F304-T306 VanDerWaalsContact C-N 3.34Å; F304-T306 PolarHBondContact O-N 2.68Å; T306-S308 VanDerWaalsContact C-N 3.33Å; T306-S308 PolarHBondContact O-N 2.95Å; T306-E309 PolarHBondContact O-N 3.23Å; T306-L310 PolarHBondContact O-N 3.32Å
307A93.5Very high86.7Confident1 Ų126.9 Ų26.91%0.00814%0.137CC..Hα-helixtrans-62.1-42.2174.500000111.9F254 I276 F278 I298 F304 N305 L310 L311F254-A307 HydrophobicContact CD1-CB 4.42Å; F254-A307 HydrophobicContact CE1-CB 3.67Å; F254-A307 HydrophobicContact CZ-CB 4.31Å; I276-A307 HydrophobicContact CD1-CB 4.4Å; I276-A307 HydrophobicContact CG2-CB 4.47Å; F278-A307 HydrophobicContact CZ-CB 4.32Å; I298-A307 HydrophobicContact CD1-CB 4.09Å; F304-A307 HydrophobicContact CD1-CB 4.39Å; F304-A307 HydrophobicContact CD2-CB 4.41Å; F304-A307 HydrophobicContact CE1-CB 4.27Å; F304-A307 HydrophobicContact CE2-CB 4.34Å; F304-A307 HydrophobicContact CG-CB 4.42Å; F304-A307 HydrophobicContact CZ-CB 4.25Å; F304-A307 WeakPolarHBondContact O-CB 3.25Å; F304-A307 PolarHBondContact O-N 2.94Å; N305-A307 VanDerWaalsContact C-N 3.31Å; N305-A307 PolarHBondContact O-N 3.35Å; A307-L310 PolarHBondContact O-N 3.33Å; A307-L311 PolarHBondContact O-N 3.42Å; A307-L311 VanDerWaalsContact O-N 3.17Å
308S91.6Very high86.2Confident5 Ų528.2 Ų28.24%0.03514%0.144CC..Hα-helixtrans-66.9-41.7178.9-56.40000112.3F304 N305 T306 L310 L311 F312F304-S308 WeakPolarHBondContact CD1-OG 3.46Å; F304-S308 PolarHBondContact O-N 3.24Å; F304-S308 PolarHBondContact O-OG 3.42Å; N305-S308 CarbonylContact O-C 3.52Å; N305-S308 WeakPolarHBondContact O-CB 3.37Å; N305-S308 PolarHBondContact O-N 2.96Å; N305-S308 VanDerWaalsContact O-N 3.11Å; T306-S308 VanDerWaalsContact C-N 3.33Å; T306-S308 PolarHBondContact O-N 2.95Å; S308-L310 VanDerWaalsContact C-N 3.32Å; S308-L310 PolarHBondContact O-N 3.16Å; S308-L311 PolarHBondContact O-N 3.3Å; S308-L311 VanDerWaalsContact O-N 3.14Å; S308-F312 WeakPolarHBondContact O-CB 3.46Å; S308-F312 WeakPolarHBondContact O-CD1 3.45Å; S308-F312 WeakPolarHBondContact O-CD2 3.37Å; S308-F312 WeakPolarHBondContact O-CG 3.31Å; S308-F312 PolarHBondContact O-N 3.04Å
309E90.6Very high85.6Confident59 Ų5929.7 Ų29.728%0.27615%0.151SC..Hα-helixtrans-59.8-42.7177.8-175.8178.6178.600111.4T13 R20 N305 T306 F312 S313T13-E309 HydrophobicContact CG2-CG 4.12Å; R20-E309 IonicContact CZ-OE2 3.68Å; R20-E309 VanDerWaalsContact CZ-OE2 3.22Å; R20-E309 IonicContact NH1-OE2 2.93Å; R20-E309 PolarHBondContact NH1-OE2 3.14Å; R20-E309 VanDerWaalsContact NH2-CD 3.29Å; R20-E309 IonicContact NH2-OE1 2.87Å; R20-E309 PolarHBondContact NH2-OE1 3.04Å; R20-E309 VanDerWaalsContact NH2-OE1 3.07Å; R20-E309 IonicContact NH2-OE2 3.62Å; R20-E309 PolarHBondContact NH2-OE2 3.09Å; N305-E309 WeakPolarHBondContact O-CB 3.45Å; N305-E309 PolarHBondContact O-N 3.41Å; T306-E309 PolarHBondContact O-N 3.23Å; E309-F312 PolarHBondContact O-N 2.97Å; E309-S313 PolarHBondContact O-N 2.9Å
310L87.2Confident85Confident1 Ų130.7 Ų30.71%0.00516%0.156CC..Hα-helixtrans-64.6-39.6175-165.865.7000112T13 L17 L35 L274 I276 V296 T306 A307 S308 S313T13-L310 HydrophobicContact CG2-CD1 4.21Å; L17-L310 HydrophobicContact CD1-CD1 4.03Å; L35-L310 HydrophobicContact CD1-CD1 3.62Å; L35-L310 HydrophobicContact CD1-CG 4.38Å; L35-L310 HydrophobicContact CD2-CD1 4.44Å; L35-L310 HydrophobicContact CD2-CG 4.35Å; L274-L310 HydrophobicContact CD1-CD2 4.48Å; L274-L310 HydrophobicContact CD2-CD2 3.9Å; L274-L310 HydrophobicContact CD2-CG 4.37Å; I276-L310 HydrophobicContact CD1-CD2 3.65Å; V296-L310 HydrophobicContact CG2-CD2 3.84Å; T306-L310 PolarHBondContact O-N 3.32Å; A307-L310 PolarHBondContact O-N 3.33Å; S308-L310 VanDerWaalsContact C-N 3.32Å; S308-L310 PolarHBondContact O-N 3.16Å; L310-S313 PolarHBondContact O-OG 3.21Å
311L85.6Confident84.5Confident2 Ų229.7 Ų29.71%0.0115%0.15CC..Hα-helixtrans-70.5-38.1176.4-170.173.4000112.2I58 V60 F165 W168 V252 A307 S308 S313 L314I58-L311 HydrophobicContact CD1-CD1 3.84Å; I58-L311 HydrophobicContact CG2-CD1 4.15Å; V60-L311 HydrophobicContact CG2-CD2 4.44Å; F165-L311 HydrophobicContact CD2-CD2 4.29Å; F165-L311 HydrophobicContact CE2-CD2 3.34Å; F165-L311 HydrophobicContact CZ-CD2 3.98Å; W168-L311 HydrophobicContact CE3-CD2 4.44Å; W168-L311 HydrophobicContact CH2-CD2 3.89Å; W168-L311 HydrophobicContact CH2-CG 4.41Å; W168-L311 HydrophobicContact CZ3-CD2 3.54Å; W168-L311 HydrophobicContact CZ3-CG 4.48Å; V252-L311 HydrophobicContact CB-CD1 4.43Å; V252-L311 HydrophobicContact CG2-CD1 3.6Å; A307-L311 PolarHBondContact O-N 3.42Å; A307-L311 VanDerWaalsContact O-N 3.17Å; S308-L311 PolarHBondContact O-N 3.3Å; S308-L311 VanDerWaalsContact O-N 3.14Å; L311-S313 VanDerWaalsContact C-N 3.33Å; L311-L314 HydrophobicContact CD1-CD1 4.26Å; L311-L314 WeakPolarHBondContact O-CB 3.48Å; L311-L314 PolarHBondContact O-N 3.44Å
312F85.1Confident84.3Confident53 Ų5328.9 Ų28.923%0.23214%0.142CC..Hα-helixtrans-69.1-34.8-179.3-61.7-17.9000111.6F165 W168 S308 E309 L314 L315 G316 R317F165-F312 HydrophobicContact CD2-CE1 4.47Å; W168-F312 HydrophobicContact CB-CE1 4.25Å; W168-F312 HydrophobicContact CB-CZ 4.29Å; W168-F312 AromaticContact CD1-CE1 3.9Å; W168-F312 HydrophobicContact CD2-CD1 4.04Å; W168-F312 AromaticContact CD2-CE1 3.42Å; W168-F312 HydrophobicContact CD2-CE1 3.42Å; W168-F312 VanDerWaalsContact CD2-CE1 3.42Å; W168-F312 HydrophobicContact CD2-CZ 4.3Å; W168-F312 AromaticContact CE2-CD1 3.87Å; W168-F312 AromaticContact CE2-CE1 3.75Å; W168-F312 HydrophobicContact CE3-CD1 4.42Å; W168-F312 AromaticContact CE3-CE1 3.72Å; W168-F312 HydrophobicContact CE3-CE1 3.72Å; W168-F312 HydrophobicContact CG-CD1 4.42Å; W168-F312 AromaticContact CG-CE1 3.62Å; W168-F312 HydrophobicContact CG-CE1 3.62Å; W168-F312 HydrophobicContact CG-CZ 4.07Å; W168-F312 HydrophobicContact CZ2-CD1 4.23Å; W168-F312 HydrophobicContact CZ2-CE1 4.4Å; W168-F312 HydrophobicContact CZ3-CE1 4.35Å; W168-F312 AromaticContact NE1-CD1 3.98Å; W168-F312 AromaticContact NE1-CE1 3.92Å; S308-F312 WeakPolarHBondContact O-CB 3.46Å; S308-F312 WeakPolarHBondContact O-CD1 3.45Å; S308-F312 WeakPolarHBondContact O-CD2 3.37Å; S308-F312 WeakPolarHBondContact O-CG 3.31Å; S308-F312 PolarHBondContact O-N 3.04Å; E309-F312 PolarHBondContact O-N 2.97Å; F312-L314 VanDerWaalsContact C-N 3.31Å; F312-L314 PolarHBondContact O-N 3Å; F312-L315 PolarHBondContact O-N 3.26Å; F312-L315 VanDerWaalsContact O-N 3.08Å; F312-G316 PolarHBondContact O-N 3.24Å; F312-R317 CarbonylContact C-O 3.56Å; F312-R317 PolarHBondContact O-N 2.92Å; F312-R317 VanDerWaalsContact O-N 3.1Å; F312-R317 VanDerWaalsContact O-O 3.11Å
313S80.4Confident83.8Confident1 Ų128.7 Ų28.71%0.00714%0.137CC..Hα-helixtrans-61.3-38.4174.975.10000112.1E309 L310 L311 L315 G316E309-S313 PolarHBondContact O-N 2.9Å; L310-S313 PolarHBondContact O-OG 3.21Å; L311-S313 VanDerWaalsContact C-N 3.33Å; S313-L315 PolarHBondContact O-N 2.95Å; S313-L315 VanDerWaalsContact O-N 3.11Å; S313-G316 PolarHBondContact O-N 3.19Å
314L74.7Confident83Confident3 Ų329.4 Ų29.42%0.01614%0.139CC..THydrogen-bonded Turntrans-60-21.3175.2-72.2175.7000114.1V10 L35 L38 C39 I58 L274 L311 F312V10-L314 HydrophobicContact CG2-CD2 4.36Å; L35-L314 HydrophobicContact CB-CD2 3.68Å; L35-L314 HydrophobicContact CD2-CD1 3.92Å; L35-L314 HydrophobicContact CD2-CD2 3.66Å; L35-L314 HydrophobicContact CD2-CG 4.02Å; L35-L314 HydrophobicContact CG-CD2 4.19Å; L35-L314 WeakPolarHBondContact O-CD2 3.33Å; L38-L314 HydrophobicContact CB-CD1 4.26Å; L38-L314 HydrophobicContact CB-CD2 3.84Å; L38-L314 HydrophobicContact CD1-CD1 3.92Å; L38-L314 HydrophobicContact CD1-CD2 4.43Å; C39-L314 WeakPolarHBondContact SG-CD2 3.15Å; I58-L314 HydrophobicContact CD1-CB 4.5Å; I58-L314 HydrophobicContact CD1-CD1 4.37Å; L274-L314 HydrophobicContact CD2-CD1 4.3Å; L311-L314 HydrophobicContact CD1-CD1 4.26Å; L311-L314 WeakPolarHBondContact O-CB 3.48Å; L311-L314 PolarHBondContact O-N 3.44Å; F312-L314 VanDerWaalsContact C-N 3.31Å; F312-L314 PolarHBondContact O-N 3Å
315L71.7Confident82Confident35 Ų3531.6 Ų31.618%0.18315%0.149CC..THydrogen-bonded Turntrans-110.111.5-173.1-59.5173.4000112.1T42 C56 I58 W168 F312 S313 R317T42-L315 HydrophobicContact CG2-CD2 3.29Å; C56-L315 WeakPolarHBondContact SG-CD2 3.38Å; I58-L315 HydrophobicContact CD1-CD1 4.3Å; I58-L315 HydrophobicContact CD1-CD2 3.87Å; I58-L315 HydrophobicContact CD1-CG 4.26Å; W168-L315 HydrophobicContact CH2-CD1 3.14Å; W168-L315 HydrophobicContact CZ2-CD1 3.15Å; W168-L315 HydrophobicContact CZ2-CG 4.47Å; W168-L315 HydrophobicContact CZ3-CD1 4.46Å; F312-L315 PolarHBondContact O-N 3.26Å; F312-L315 VanDerWaalsContact O-N 3.08Å; S313-L315 PolarHBondContact O-N 2.95Å; S313-L315 VanDerWaalsContact O-N 3.11Å; L315-R317 PolarHBondContact O-N 3.4Å
316G61.8Low80.9Confident13 Ų1327.7 Ų27.713%0.13413%0.127CC..THydrogen-bonded Turntrans6326.5-178.800000113.2M1 F312 S313M1-G316 WeakPolarHBondContact CE-O 3.42Å; F312-G316 PolarHBondContact O-N 3.24Å; S313-G316 PolarHBondContact O-N 3.19Å
317R54.6Low79.7Confident154 Ų15429.7 Ų29.758%0.58114%0.135SC*.  trans-112.40-177-69.2-169.8-175.5-174.96.3111.9K9 N172 F312 L315K9-R317 WeakPolarHBondContact CE-O 3.48Å; K9-R317 PolarHBondContact NZ-O 3.32Å; K9-R317 PolarHBondContact NZ-OXT 3.12Å; N172-R317 VanDerWaalsContact CG-NH1 3.25Å; N172-R317 PolarHBondContact ND2-NH1 2.9Å; N172-R317 PolarHBondContact OD1-NH1 3.42Å; N172-R317 PolarHBondContact OD1-NH2 3.47Å; F312-R317 CarbonylContact C-O 3.56Å; F312-R317 PolarHBondContact O-N 2.92Å; F312-R317 VanDerWaalsContact O-N 3.1Å; F312-R317 VanDerWaalsContact O-O 3.11Å; L315-R317 PolarHBondContact O-N 3.4Å

Retrieved 317 of 317 residues in 631.6 ms (Link to these results)

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